A0A077ZB15_TRITR Loading...

BTB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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
1M57.7Low82.1Confident204 Ų204118 Ų118100%1.00561%0.608SS**  0-32.70-129.3171.3-85.600111.2S4 F5M1-S4 PolarHBondContact O-OG 3.13Å; M1-F5 PolarHBondContact O-N 3.44Å
2D75.3Confident82.5Confident125 Ų125121.1 Ų121.167%0.66861%0.608SS**Hα-helixtrans-68.9-37.7-176-48-34.5000114.9S4 F5 N6D2-S4 PolarHBondContact O-N 2.86Å; D2-F5 PolarHBondContact O-N 3.46Å; D2-N6 WeakPolarHBondContact O-CB 3.35Å; D2-N6 VanDerWaalsContact O-CG 3.31Å; D2-N6 PolarHBondContact O-N 2.89Å
3K79.9Confident83.2Confident191 Ų191122.8 Ų122.883%0.8361%0.61SS**Hα-helixtrans-61.9-41.7179.2-70.1-173.9178.8-178.80112.8S7K3-S7 WeakPolarHBondContact O-CB 3.45Å; K3-S7 PolarHBondContact O-N 3.42Å; K3-S7 VanDerWaalsContact O-N 3.1Å
4S80.4Confident83.9Confident70 Ų70119.4 Ų119.449%0.4960%0.595SS.*Hα-helixtrans-69.4-39.817846.90000111.7M1 D2 S7 L8M1-S4 PolarHBondContact O-OG 3.13Å; D2-S4 PolarHBondContact O-N 2.86Å; S4-S7 PolarHBondContact O-N 3.1Å; S4-L8 VanDerWaalsContact O-CD1 3.22Å; S4-L8 WeakPolarHBondContact O-CD1 3.28Å; S4-L8 PolarHBondContact O-N 3.13Å
5F82.6Confident84.1Confident142 Ų142118 Ų11862%0.62360%0.595SS**Hα-helixtrans-66.3-42.5178.5-171.3-92.3000112.2M1 D2 L8 T9M1-F5 PolarHBondContact O-N 3.44Å; D2-F5 PolarHBondContact O-N 3.46Å; F5-L8 PolarHBondContact O-N 3.38Å; F5-T9 PolarHBondContact O-N 2.96Å; F5-T9 PolarHBondContact O-OG1 3.31Å
6N85.7Confident84.4Confident95 Ų95114.8 Ų114.851%0.50858%0.577SS.*Hα-helixtrans-63.3-43.8175.8-69.2-8.9000111.2D2 L8 T9 D10D2-N6 WeakPolarHBondContact O-CB 3.35Å; D2-N6 VanDerWaalsContact O-CG 3.31Å; D2-N6 PolarHBondContact O-N 2.89Å; N6-L8 VanDerWaalsContact C-N 3.33Å; N6-L8 PolarHBondContact O-N 2.92Å; N6-T9 PolarHBondContact O-N 3.48Å; N6-T9 VanDerWaalsContact O-N 3.13Å; N6-D10 VanDerWaalsContact O-CG 3.31Å; N6-D10 PolarHBondContact O-N 3.42Å
7S87.8Confident84.7Confident57 Ų57111.1 Ų111.140%0.39957%0.565SS.*Hα-helixtrans-58.4-42.5175.3-170.70000112.6K3 S4 T9 D10 E11K3-S7 WeakPolarHBondContact O-CB 3.45Å; K3-S7 PolarHBondContact O-N 3.42Å; K3-S7 VanDerWaalsContact O-N 3.1Å; S4-S7 PolarHBondContact O-N 3.1Å; S7-T9 VanDerWaalsContact C-N 3.34Å; S7-D10 PolarHBondContact O-N 3.34Å; S7-E11 WeakPolarHBondContact O-CG 3.36Å; S7-E11 PolarHBondContact O-N 2.99Å
8L85.5Confident85Confident114 Ų114112.1 Ų112.160%0.59757%0.565SS**Hα-helixtrans-66.6-37176.7-97.773.5000112.2S4 F5 N6 E11 Y12S4-L8 VanDerWaalsContact O-CD1 3.22Å; S4-L8 WeakPolarHBondContact O-CD1 3.28Å; S4-L8 PolarHBondContact O-N 3.13Å; F5-L8 PolarHBondContact O-N 3.38Å; N6-L8 VanDerWaalsContact C-N 3.33Å; N6-L8 PolarHBondContact O-N 2.92Å; L8-E11 PolarHBondContact O-N 3.22Å; L8-Y12 WeakPolarHBondContact O-CB 3.38Å; L8-Y12 PolarHBondContact O-N 2.7Å
9T89.7Confident84.8Confident64 Ų64111.6 Ų111.639%0.39356%0.563SS.*Hα-helixtrans-67-41.6178.6-52.60000110.7F5 N6 S7 Y12 F13F5-T9 PolarHBondContact O-N 2.96Å; F5-T9 PolarHBondContact O-OG1 3.31Å; N6-T9 PolarHBondContact O-N 3.48Å; N6-T9 VanDerWaalsContact O-N 3.13Å; S7-T9 VanDerWaalsContact C-N 3.34Å; T9-Y12 PolarHBondContact O-N 3.15Å; T9-F13 WeakPolarHBondContact O-CB 3.44Å; T9-F13 PolarHBondContact O-N 3.23Å
10D89Confident84.8Confident112 Ų112112.5 Ų112.560%0.59956%0.563SS**Hα-helixtrans-63.8-42.7175.5-68.4-24.3000111.5N6 S7 F13 N14N6-D10 VanDerWaalsContact O-CG 3.31Å; N6-D10 PolarHBondContact O-N 3.42Å; S7-D10 PolarHBondContact O-N 3.34Å; D10-F13 PolarHBondContact O-N 3.31Å; D10-N14 VanDerWaalsContact O-CB 3.3Å; D10-N14 WeakPolarHBondContact O-CB 3.3Å; D10-N14 PolarHBondContact O-N 2.98Å
11E89.6Confident84.8Confident124 Ų124109.4 Ų109.458%0.57956%0.555SS**Hα-helixtrans-64.6-44.3175.2-77-169.4176.200112.3S7 L8 F13 N14 V15S7-E11 WeakPolarHBondContact O-CG 3.36Å; S7-E11 PolarHBondContact O-N 2.99Å; L8-E11 PolarHBondContact O-N 3.22Å; E11-F13 VanDerWaalsContact C-N 3.33Å; E11-F13 PolarHBondContact O-N 2.9Å; E11-N14 PolarHBondContact O-N 3.05Å; E11-V15 WeakPolarHBondContact O-CG2 3.49Å; E11-V15 PolarHBondContact O-N 3.23Å
12Y86.9Confident85.7Confident155 Ų155103.4 Ų103.461%0.60853%0.533SS*.Hα-helixtrans-58.1-47.2175.7176.4-96.1000111.1L8 T9 N14 V15 Q16L8-Y12 WeakPolarHBondContact O-CB 3.38Å; L8-Y12 PolarHBondContact O-N 2.7Å; T9-Y12 PolarHBondContact O-N 3.15Å; Y12-N14 PolarHBondContact O-N 2.8Å; Y12-V15 PolarHBondContact O-N 3.19Å; Y12-Q16 WeakPolarHBondContact O-CB 3.3Å; Y12-Q16 PolarHBondContact O-N 3.27Å
13F91.9Very high85.9Confident144 Ų144101.4 Ų101.463%0.63252%0.522SS*.Hα-helixtrans-63.8-40.2178-169.3-96.3000112.1T9 D10 E11 Q16 S17T9-F13 WeakPolarHBondContact O-CB 3.44Å; T9-F13 PolarHBondContact O-N 3.23Å; D10-F13 PolarHBondContact O-N 3.31Å; E11-F13 VanDerWaalsContact C-N 3.33Å; E11-F13 PolarHBondContact O-N 2.9Å; F13-Q16 PolarHBondContact O-N 3.04Å; F13-S17 WeakPolarHBondContact O-CB 3.42Å; F13-S17 PolarHBondContact O-N 2.86Å; F13-S17 PolarHBondContact O-OG 2.94Å; F13-S17 VanDerWaalsContact O-OG 3.13Å
14N92Very high85.8Confident75 Ų7598.2 Ų98.240%0.40151%0.509SS..Hα-helixtrans-63.4-42.9175.1-171.226.4000112.1D10 E11 Y12 S17 K18D10-N14 VanDerWaalsContact O-CB 3.3Å; D10-N14 WeakPolarHBondContact O-CB 3.3Å; D10-N14 PolarHBondContact O-N 2.98Å; E11-N14 PolarHBondContact O-N 3.05Å; Y12-N14 PolarHBondContact O-N 2.8Å; N14-S17 PolarHBondContact O-OG 3.27Å; N14-K18 WeakPolarHBondContact O-CB 3.23Å; N14-K18 VanDerWaalsContact O-CG 3.28Å; N14-K18 WeakPolarHBondContact O-CG 3.48Å; N14-K18 PolarHBondContact O-N 2.92Å; N14-K18 VanDerWaalsContact O-N 3.08Å; N14-K18 VanDerWaalsContact OD1-CE 3.3Å; N14-K18 WeakPolarHBondContact OD1-CE 3.3Å
15V88Confident85.7Confident98 Ų98101.4 Ų101.459%0.59452%0.515SS*.Hα-helixtrans-65-42.9175.6171.80000110.7E11 Y12 K18 L19E11-V15 WeakPolarHBondContact O-CG2 3.49Å; E11-V15 PolarHBondContact O-N 3.23Å; Y12-V15 PolarHBondContact O-N 3.19Å; V15-K18 PolarHBondContact O-N 3.43Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 PolarHBondContact O-N 3.38Å
16Q88.8Confident85.1Confident67 Ų6795.9 Ų95.931%0.31349%0.493SS..Hα-helixtrans-64.9-44.2-179.3-163.9-177.71.900111.7Y12 F13 L19 F20Y12-Q16 WeakPolarHBondContact O-CB 3.3Å; Y12-Q16 PolarHBondContact O-N 3.27Å; F13-Q16 PolarHBondContact O-N 3.04Å; Q16-L19 PolarHBondContact O-N 2.98Å; Q16-F20 HydrophobicContact CG-CD2 3.93Å; Q16-F20 HydrophobicContact CG-CE2 3.55Å; Q16-F20 WeakPolarHBondContact O-CD2 3.38Å; Q16-F20 PolarHBondContact O-N 3.44Å
17S89.1Confident84.4Confident52 Ų5292.9 Ų92.936%0.36448%0.482SS..Hα-helixtrans-62.9-40.8175.362.40000112.6F13 N14 F20 A21F13-S17 WeakPolarHBondContact O-CB 3.42Å; F13-S17 PolarHBondContact O-N 2.86Å; F13-S17 PolarHBondContact O-OG 2.94Å; F13-S17 VanDerWaalsContact O-OG 3.13Å; N14-S17 PolarHBondContact O-OG 3.27Å; S17-F20 PolarHBondContact O-N 3.04Å; S17-A21 WeakPolarHBondContact O-CB 3.42Å; S17-A21 PolarHBondContact O-N 2.87Å
18K89.5Confident83.7Confident129 Ų12995 Ų9556%0.56149%0.485SS*.Hα-helixtrans-65-38.7174.6-74.4175.1-179.9174.20112.4N14 V15 A21 C22N14-K18 WeakPolarHBondContact O-CB 3.23Å; N14-K18 VanDerWaalsContact O-CG 3.28Å; N14-K18 WeakPolarHBondContact O-CG 3.48Å; N14-K18 PolarHBondContact O-N 2.92Å; N14-K18 VanDerWaalsContact O-N 3.08Å; N14-K18 VanDerWaalsContact OD1-CE 3.3Å; N14-K18 WeakPolarHBondContact OD1-CE 3.3Å; V15-K18 PolarHBondContact O-N 3.43Å; K18-A21 PolarHBondContact O-N 3.38Å; K18-C22 WeakPolarHBondContact O-CB 3.49Å; K18-C22 PolarHBondContact O-N 3.36Å
19L81.9Confident82.9Confident102 Ų10293.5 Ų93.553%0.53448%0.477SS..Hα-helixtrans-62.8-50.3175.6-177.964.7000110.8V15 Q16 A21 C22 D23V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 PolarHBondContact O-N 3.38Å; Q16-L19 PolarHBondContact O-N 2.98Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 2.76Å; L19-C22 WeakPolarHBondContact O-CB 3.42Å; L19-C22 PolarHBondContact O-N 2.88Å; L19-C22 VanDerWaalsContact O-N 3.13Å; L19-D23 PolarHBondContact O-N 2.97Å
20F85.4Confident81.6Confident130 Ų13091.9 Ų91.957%0.5747%0.47SS*.Hα-helixtrans-59.2-42.2176.3-77.8-60000112.6Q16 S17 C22 D23 H24Q16-F20 HydrophobicContact CG-CD2 3.93Å; Q16-F20 HydrophobicContact CG-CE2 3.55Å; Q16-F20 WeakPolarHBondContact O-CD2 3.38Å; Q16-F20 PolarHBondContact O-N 3.44Å; S17-F20 PolarHBondContact O-N 3.04Å; F20-C22 VanDerWaalsContact C-N 3.32Å; F20-C22 PolarHBondContact O-N 3.46Å; F20-D23 PolarHBondContact O-N 3.39Å; F20-H24 WeakPolarHBondContact O-CB 3.4Å; F20-H24 PolarHBondContact O-N 2.95Å
21A84.7Confident80.5Confident47 Ų4793.2 Ų93.239%0.38847%0.473SS..Hα-helixtrans-63.8-38176.600000112.2S17 K18 L19 K25S17-A21 WeakPolarHBondContact O-CB 3.42Å; S17-A21 PolarHBondContact O-N 2.87Å; K18-A21 PolarHBondContact O-N 3.38Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 2.76Å; A21-K25 WeakPolarHBondContact O-CB 3.28Å; A21-K25 VanDerWaalsContact O-CG 3.28Å; A21-K25 WeakPolarHBondContact O-CG 3.44Å; A21-K25 PolarHBondContact O-N 3.29Å
22C77Confident79.2Confident79 Ų7991.2 Ų91.253%0.53447%0.469SS..Hα-helixtrans-66-46.1175.1-168.40000111.4K18 L19 F20 H24 K25 S26K18-C22 WeakPolarHBondContact O-CB 3.49Å; K18-C22 PolarHBondContact O-N 3.36Å; L19-C22 WeakPolarHBondContact O-CB 3.42Å; L19-C22 PolarHBondContact O-N 2.88Å; L19-C22 VanDerWaalsContact O-N 3.13Å; F20-C22 VanDerWaalsContact C-N 3.32Å; F20-C22 PolarHBondContact O-N 3.46Å; C22-H24 VanDerWaalsContact C-N 3.33Å; C22-H24 PolarHBondContact O-N 2.97Å; C22-K25 PolarHBondContact O-N 2.9Å; C22-S26 WeakPolarHBondContact O-CB 3.41Å; C22-S26 PolarHBondContact O-N 3.34Å; C22-S26 PolarHBondContact O-OG 3.13Å
23D77.8Confident77.7Confident82 Ų8284.7 Ų84.744%0.43945%0.446SS..Hα-helixtrans-61.6-42177.2-76.5-24.6000111.5L19 F20 S26 A27L19-D23 PolarHBondContact O-N 2.97Å; F20-D23 PolarHBondContact O-N 3.39Å; D23-S26 PolarHBondContact O-N 3.08Å; D23-S26 PolarHBondContact O-OG 3.46Å; D23-A27 WeakPolarHBondContact O-CB 3.42Å; D23-A27 PolarHBondContact O-N 2.88Å
24H78.8Confident76Confident124 Ų12481.3 Ų81.357%0.57444%0.437SS*.Hα-helixtrans-63.8-51.5176-169.7-77.3000111.8F20 C22 S26 A27 E28F20-H24 WeakPolarHBondContact O-CB 3.4Å; F20-H24 PolarHBondContact O-N 2.95Å; C22-H24 VanDerWaalsContact C-N 3.33Å; C22-H24 PolarHBondContact O-N 2.97Å; H24-S26 PolarHBondContact O-N 2.89Å; H24-A27 WeakPolarHBondContact O-CB 3.38Å; H24-A27 PolarHBondContact O-N 3.3Å; H24-E28 IonicContact ND1-OE2 3.72Å; H24-E28 WeakPolarHBondContact O-CB 3.34Å; H24-E28 PolarHBondContact O-N 2.87Å
25K78.4Confident74.2Confident138 Ų13881.8 Ų81.860%0.645%0.451SS*.Hα-helixtrans-57-40177.4-75.4176.8-178.3-176.10111.7A21 C22 I29A21-K25 WeakPolarHBondContact O-CB 3.28Å; A21-K25 VanDerWaalsContact O-CG 3.28Å; A21-K25 WeakPolarHBondContact O-CG 3.44Å; A21-K25 PolarHBondContact O-N 3.29Å; C22-K25 PolarHBondContact O-N 2.9Å; K25-I29 WeakPolarHBondContact O-CD1 3.47Å; K25-I29 VanDerWaalsContact O-CG1 3.23Å; K25-I29 WeakPolarHBondContact O-CG1 3.34Å; K25-I29 PolarHBondContact O-N 3.47Å
26S68.7Low72.6Confident25 Ų2582.6 Ų82.618%0.17545%0.452CS..Hα-helixtrans-69.1-35.1176.875.60000113.1C22 D23 H24 A30 K54C22-S26 WeakPolarHBondContact O-CB 3.41Å; C22-S26 PolarHBondContact O-N 3.34Å; C22-S26 PolarHBondContact O-OG 3.13Å; D23-S26 PolarHBondContact O-N 3.08Å; D23-S26 PolarHBondContact O-OG 3.46Å; H24-S26 PolarHBondContact O-N 2.89Å; S26-A30 WeakPolarHBondContact O-CB 3.11Å; S26-A30 PolarHBondContact O-N 3.26Å; S26-K54 WeakPolarHBondContact OG-CE 3.42Å; S26-K54 PolarHBondContact OG-NZ 3.35Å
27A71.3Confident70.7Confident32 Ų3283.5 Ų83.526%0.26447%0.465SS..Hα-helixtrans-69.2-41.7175.200000111.5D23 H24 A30 Q31D23-A27 WeakPolarHBondContact O-CB 3.42Å; D23-A27 PolarHBondContact O-N 2.88Å; H24-A27 WeakPolarHBondContact O-CB 3.38Å; H24-A27 PolarHBondContact O-N 3.3Å; A27-A30 PolarHBondContact O-N 2.91Å; A27-Q31 VanDerWaalsContact O-CG 3.3Å; A27-Q31 WeakPolarHBondContact O-CG 3.33Å; A27-Q31 PolarHBondContact O-N 3.46Å
28E74.7Confident69Low102 Ų10287 Ų8748%0.47749%0.489SS..Hα-helixtrans-59.3-52.1175.1-171.1178176.100110.9H24 A30 Q31 T32H24-E28 IonicContact ND1-OE2 3.72Å; H24-E28 WeakPolarHBondContact O-CB 3.34Å; H24-E28 PolarHBondContact O-N 2.87Å; E28-A30 VanDerWaalsContact C-N 3.26Å; E28-A30 PolarHBondContact O-N 3.04Å; E28-Q31 PolarHBondContact O-N 2.92Å; E28-T32 PolarHBondContact O-N 3.39Å; E28-T32 PolarHBondContact O-OG1 2.89Å
29I67.2Low67Low83 Ų8387.9 Ų87.943%0.42650%0.496SS..Hα-helixtrans-56.2-40.7176.5-66.1163.2000111.6K25 T33 V50K25-I29 WeakPolarHBondContact O-CD1 3.47Å; K25-I29 VanDerWaalsContact O-CG1 3.23Å; K25-I29 WeakPolarHBondContact O-CG1 3.34Å; K25-I29 PolarHBondContact O-N 3.47Å; I29-T33 WeakPolarHBondContact O-CB 3.42Å; I29-T33 PolarHBondContact O-N 2.83Å; I29-T33 VanDerWaalsContact O-N 3.15Å; I29-T33 PolarHBondContact O-OG1 3.3Å; I29-V50 HydrophobicContact CG2-CG2 4.1Å
30A63Low65.5Low30 Ų3088.8 Ų88.825%0.24851%0.508CS..Hα-helixtrans-66-38177.900000112.8S26 A27 E28 T34 V50S26-A30 WeakPolarHBondContact O-CB 3.11Å; S26-A30 PolarHBondContact O-N 3.26Å; A27-A30 PolarHBondContact O-N 2.91Å; E28-A30 VanDerWaalsContact C-N 3.26Å; E28-A30 PolarHBondContact O-N 3.04Å; A30-T34 PolarHBondContact O-N 3.02Å; A30-T34 PolarHBondContact O-OG1 3.45Å; A30-V50 HydrophobicContact CB-CG1 4.1Å
31Q66.1Low63.8Low140 Ų14086.3 Ų86.365%0.65450%0.504SS*.Hα-helixtrans-71.9-48.9178.3-71.3173.512.800111.7A27 E28 T33 T34 A35A27-Q31 VanDerWaalsContact O-CG 3.3Å; A27-Q31 WeakPolarHBondContact O-CG 3.33Å; A27-Q31 PolarHBondContact O-N 3.46Å; E28-Q31 PolarHBondContact O-N 2.92Å; Q31-T33 PolarHBondContact O-N 2.98Å; Q31-T34 PolarHBondContact O-N 3.34Å; Q31-A35 PolarHBondContact O-N 2.85Å
32T62.1Low62.4Low82 Ų8293 Ų9350%0.50353%0.527SS..Hα-helixtrans-59.2-36179.1-39.40000111.1E28 L36E28-T32 PolarHBondContact O-N 3.39Å; E28-T32 PolarHBondContact O-OG1 2.89Å; T32-L36 WeakPolarHBondContact O-CD1 3.45Å
33T55.3Low61.4Low18 Ų1890.8 Ų90.811%0.1151%0.514CS..Hα-helixtrans-78.7-19.5177.8-45.60000113.9I29 Q31 A43 R47I29-T33 WeakPolarHBondContact O-CB 3.42Å; I29-T33 PolarHBondContact O-N 2.83Å; I29-T33 VanDerWaalsContact O-N 3.15Å; I29-T33 PolarHBondContact O-OG1 3.3Å; Q31-T33 PolarHBondContact O-N 2.98Å; T33-A43 HydrophobicContact CG2-CB 3.64Å; T33-A43 VanDerWaalsContact CG2-O 3.29Å; T33-A43 WeakPolarHBondContact CG2-O 3.29Å; T33-R47 HydrophobicContact CG2-CB 3.56Å; T33-R47 HydrophobicContact CG2-CG 4.24Å
34T56.2Low60.9Low72 Ų7289.4 Ų89.444%0.44251%0.508SS..Hα-helixtrans-76.7-28.8175.1-600000111.9A30 Q31A30-T34 PolarHBondContact O-N 3.02Å; A30-T34 PolarHBondContact O-OG1 3.45Å; Q31-T34 PolarHBondContact O-N 3.34Å
35A55.4Low60.5Low85 Ų8590.4 Ų90.470%0.70251%0.512SS*.Hα-helixtrans-75.2-27.817700000113.6Q31 S37Q31-A35 PolarHBondContact O-N 2.85Å; A35-S37 PolarHBondContact O-N 2.86Å
36L53.7Low60.2Low116 Ų11685.7 Ų85.761%0.60750%0.498SS*.  trans-92.376.3174.5-80.286.4000110.4T32T32-L36 WeakPolarHBondContact O-CD1 3.45Å
37S49.4Very low59.9Low86 Ų8689.2 Ų89.260%0.60151%0.508SS*.  trans-139.699.9165.3670000112.5A35A35-S37 PolarHBondContact O-N 2.86Å
38S52.1Low59.6Low124 Ų12495.7 Ų95.787%0.86753%0.525SS*.SBendtrans-137.4-1.9138.3620000114
39E48.9Very low59.3Low148 Ų14895.1 Ų95.169%0.69253%0.525SS*.SBendtrans-134.9148.8173.3-69.9-147.4172.300113.4T41E39-T41 PolarHBondContact O-N 3.38Å
40P49.3Very low59.4Low122 Ų12292.5 Ų92.579%0.79251%0.513SS*.  trans-77.368.6-176.733.2-34.6000111.1
41T50Low59.5Low78 Ų7894 Ų9448%0.47952%0.522SS..  trans-89.4164.1173.151.20000111.5E39 A43 T44E39-T41 PolarHBondContact O-N 3.38Å; T41-A43 PolarHBondContact O-N 3.15Å; T41-T44 PolarHBondContact O-N 2.95Å; T41-T44 PolarHBondContact O-OG1 2.84Å; T41-T44 VanDerWaalsContact O-OG1 3.05Å
42E56.2Low59.6Low188 Ų18889.3 Ų89.388%0.87950%0.503SS*.THydrogen-bonded Turntrans-40.4-29.1-176.8-68.1176.6148.600115.8T44 F45E42-T44 PolarHBondContact O-N 3Å; E42-T44 VanDerWaalsContact O-N 3.09Å; E42-F45 PolarHBondContact O-N 3.37Å; E42-F45 VanDerWaalsContact O-N 3.15Å
43A54.7Low59.9Low32 Ų3287.2 Ų87.226%0.26449%0.494SS..Hα-helixtrans-57-23.4176.100000113.8T33 T41 F45 A46 R47T33-A43 HydrophobicContact CG2-CB 3.64Å; T33-A43 VanDerWaalsContact CG2-O 3.29Å; T33-A43 WeakPolarHBondContact CG2-O 3.29Å; T41-A43 PolarHBondContact O-N 3.15Å; A43-F45 VanDerWaalsContact C-N 3.32Å; A43-F45 PolarHBondContact O-N 3.34Å; A43-A46 PolarHBondContact O-N 3.05Å; A43-R47 WeakPolarHBondContact O-CB 3.24Å; A43-R47 PolarHBondContact O-N 3.09Å
44T67.3Low60.5Low52 Ų5290.5 Ų90.532%0.31951%0.506SS..Hα-helixtrans-61.6-38.1177-53.20000112.3T41 E42 R48T41-T44 PolarHBondContact O-N 2.95Å; T41-T44 PolarHBondContact O-OG1 2.84Å; T41-T44 VanDerWaalsContact O-OG1 3.05Å; E42-T44 PolarHBondContact O-N 3Å; E42-T44 VanDerWaalsContact O-N 3.09Å; T44-R48 WeakPolarHBondContact O-CB 3.42Å; T44-R48 VanDerWaalsContact O-CG 3.28Å; T44-R48 WeakPolarHBondContact O-CG 3.09Å; T44-R48 PolarHBondContact O-N 3.44Å
45F71.7Confident61.7Low146 Ų14690.2 Ų90.264%0.6450%0.502SS*.Hα-helixtrans-68.6-49.4179172.2-101.4000111.1E42 A43 R47 R48 L49E42-F45 PolarHBondContact O-N 3.37Å; E42-F45 VanDerWaalsContact O-N 3.15Å; A43-F45 VanDerWaalsContact C-N 3.32Å; A43-F45 PolarHBondContact O-N 3.34Å; F45-R47 VanDerWaalsContact C-N 3.31Å; F45-R47 PolarHBondContact O-N 2.8Å; F45-R48 PolarHBondContact O-N 2.83Å; F45-L49 HydrophobicContact CE1-CD2 4.14Å; F45-L49 HydrophobicContact CZ-CD2 4.35Å; F45-L49 WeakPolarHBondContact O-CB 3.22Å; F45-L49 PolarHBondContact O-N 3.42Å
46A71.1Confident63.2Low39 Ų3993.2 Ų93.232%0.32250%0.496SS..Hα-helixtrans-58.9-43.1178.600000111.2A43 L49 V50A43-A46 PolarHBondContact O-N 3.05Å; A46-L49 PolarHBondContact O-N 2.92Å; A46-V50 WeakPolarHBondContact O-CB 3.43Å; A46-V50 VanDerWaalsContact O-CG2 3.24Å; A46-V50 WeakPolarHBondContact O-CG2 3.28Å; A46-V50 PolarHBondContact O-N 2.99Å
47R62.6Low65Low99 Ų9987.7 Ų87.737%0.37447%0.468SS..Hα-helixtrans-63.3-45.1175.3-178.3173.6167.7-178.7-1.1112.6T33 A43 F45 L49 V50 S51T33-R47 HydrophobicContact CG2-CB 3.56Å; T33-R47 HydrophobicContact CG2-CG 4.24Å; A43-R47 WeakPolarHBondContact O-CB 3.24Å; A43-R47 PolarHBondContact O-N 3.09Å; F45-R47 VanDerWaalsContact C-N 3.31Å; F45-R47 PolarHBondContact O-N 2.8Å; R47-L49 VanDerWaalsContact C-N 3.34Å; R47-V50 PolarHBondContact O-N 3.18Å; R47-S51 WeakPolarHBondContact O-CB 3.32Å; R47-S51 PolarHBondContact O-N 2.76Å; R47-S51 PolarHBondContact O-OG 3.41Å; R47-S51 VanDerWaalsContact O-OG 3.11Å
48R64.6Low67.2Low167 Ų16785.8 Ų85.863%0.6345%0.452SS*.Hα-helixtrans-59.1-48.5174.9-76176-172.5161.74.6110.1T44 F45 V50 S51 T52T44-R48 WeakPolarHBondContact O-CB 3.42Å; T44-R48 VanDerWaalsContact O-CG 3.28Å; T44-R48 WeakPolarHBondContact O-CG 3.09Å; T44-R48 PolarHBondContact O-N 3.44Å; F45-R48 PolarHBondContact O-N 2.83Å; R48-V50 PolarHBondContact O-N 3.11Å; R48-S51 WeakPolarHBondContact CA-OG 3.46Å; R48-S51 PolarHBondContact O-N 2.92Å; R48-S51 PolarHBondContact O-OG 3.39Å; R48-T52 WeakPolarHBondContact O-CB 3.36Å; R48-T52 PolarHBondContact O-N 2.84Å; R48-T52 PolarHBondContact O-OG1 3.22Å
49L69Low69.3Low91 Ų9179.9 Ų79.948%0.47641%0.411SS..Hα-helixtrans-57.4-48.6178-172.267.8000112F45 A46 R47 T52 A53F45-L49 HydrophobicContact CE1-CD2 4.14Å; F45-L49 HydrophobicContact CZ-CD2 4.35Å; F45-L49 WeakPolarHBondContact O-CB 3.22Å; F45-L49 PolarHBondContact O-N 3.42Å; A46-L49 PolarHBondContact O-N 2.92Å; R47-L49 VanDerWaalsContact C-N 3.34Å; L49-T52 PolarHBondContact O-N 2.83Å; L49-A53 WeakPolarHBondContact O-CB 3.41Å; L49-A53 PolarHBondContact O-N 3.41Å
50V69Low71.5Confident27 Ų2774.5 Ų74.516%0.16439%0.387CS..Hα-helixtrans-65.2-41.1178.1173.30000111.6I29 A30 A46 R47 R48 A53 K54I29-V50 HydrophobicContact CG2-CG2 4.1Å; A30-V50 HydrophobicContact CB-CG1 4.1Å; A46-V50 WeakPolarHBondContact O-CB 3.43Å; A46-V50 VanDerWaalsContact O-CG2 3.24Å; A46-V50 WeakPolarHBondContact O-CG2 3.28Å; A46-V50 PolarHBondContact O-N 2.99Å; R47-V50 PolarHBondContact O-N 3.18Å; R48-V50 PolarHBondContact O-N 3.11Å; V50-A53 PolarHBondContact O-N 3.29Å; V50-K54 PolarHBondContact O-N 2.83Å
51S65.5Low73.6Confident63 Ų6368.8 Ų68.844%0.44135%0.349SS..Hα-helixtrans-64.6-46.2176.865.80000111.8R47 R48 A53 K54R47-S51 WeakPolarHBondContact O-CB 3.32Å; R47-S51 PolarHBondContact O-N 2.76Å; R47-S51 PolarHBondContact O-OG 3.41Å; R47-S51 VanDerWaalsContact O-OG 3.11Å; R48-S51 WeakPolarHBondContact CA-OG 3.46Å; R48-S51 PolarHBondContact O-N 2.92Å; R48-S51 PolarHBondContact O-OG 3.39Å; S51-A53 VanDerWaalsContact C-N 3.29Å; S51-A53 PolarHBondContact O-N 3.13Å; S51-K54 PolarHBondContact O-N 3.46Å
52T67Low75.5Confident41 Ų4170.3 Ų70.325%0.25236%0.355SS..Hα-helixtrans-71.4-26.3178.8-45.90000111.5R48 L49 K54 D55 F71R48-T52 WeakPolarHBondContact O-CB 3.36Å; R48-T52 PolarHBondContact O-N 2.84Å; R48-T52 PolarHBondContact O-OG1 3.22Å; L49-T52 PolarHBondContact O-N 2.83Å; T52-K54 VanDerWaalsContact C-N 3.33Å; T52-K54 PolarHBondContact O-N 3.35Å; T52-D55 WeakPolarHBondContact O-CB 3.28Å; T52-D55 PolarHBondContact O-N 3.38Å; T52-F71 HydrophobicContact CG2-CB 3.68Å; T52-F71 WeakPolarHBondContact O-CB 3.23Å
53A69.5Low77.1Confident38 Ų3864.8 Ų64.831%0.31435%0.348SS..Hα-helixtrans-64.6-35.3175.700000112.8L49 V50 S51 D55 F71L49-A53 WeakPolarHBondContact O-CB 3.41Å; L49-A53 PolarHBondContact O-N 3.41Å; V50-A53 PolarHBondContact O-N 3.29Å; S51-A53 VanDerWaalsContact C-N 3.29Å; S51-A53 PolarHBondContact O-N 3.13Å; A53-D55 VanDerWaalsContact C-N 3.33Å; A53-F71 HydrophobicContact CB-CD1 4.39Å
54K67.1Low78.9Confident86 Ų8670.5 Ų70.537%0.37436%0.363SS..Hα-helixtrans-81.4-15.1179.1-67.9-172.1177.8-174.50113.5S26 V50 S51 T52 Y56S26-K54 WeakPolarHBondContact OG-CE 3.42Å; S26-K54 PolarHBondContact OG-NZ 3.35Å; V50-K54 PolarHBondContact O-N 2.83Å; S51-K54 PolarHBondContact O-N 3.46Å; T52-K54 VanDerWaalsContact C-N 3.33Å; T52-K54 PolarHBondContact O-N 3.35Å; K54-Y56 VanDerWaalsContact O-CD2 3.31Å; K54-Y56 WeakPolarHBondContact O-CD2 3.18Å; K54-Y56 WeakPolarHBondContact O-CE2 3.31Å; K54-Y56 PolarHBondContact O-N 3.2Å
55D81.3Confident80.2Confident66 Ų6675.7 Ų75.735%0.35338%0.381SS..  trans-71.9114.4-176.6-96.719000112.6T52 A53 R70T52-D55 WeakPolarHBondContact O-CB 3.28Å; T52-D55 PolarHBondContact O-N 3.38Å; A53-D55 VanDerWaalsContact C-N 3.33Å; D55-R70 HydrophobicContact CB-CB 3.97Å; D55-R70 VanDerWaalsContact CB-NH1 3.3Å; D55-R70 PolarHBondContact O-N 3.23Å; D55-R70 IonicContact OD2-NH1 2.74Å; D55-R70 PolarHBondContact OD2-NH1 3.47Å; D55-R70 VanDerWaalsContact OD2-NH1 3.11Å
56Y87.9Confident81.3Confident148 Ų14870.8 Ų70.858%0.5836%0.362SS*.EExtended strand (participates in β ladder)trans-79.9145.8174.4-62.7-86.8000111.3K54 R69 R70K54-Y56 VanDerWaalsContact O-CD2 3.31Å; K54-Y56 WeakPolarHBondContact O-CD2 3.18Å; K54-Y56 WeakPolarHBondContact O-CE2 3.31Å; K54-Y56 PolarHBondContact O-N 3.2Å; Y56-R69 VanDerWaalsContact CE1-NH2 3.28Å; Y56-R69 PolarHBondContact OH-NH1 3.41Å; Y56-R69 PolarHBondContact OH-NH2 3.37Å; Y56-R69 VanDerWaalsContact OH-NH2 3.13Å; Y56-R70 PolarHBondContact O-NH1 3.4Å; Y56-R70 VanDerWaalsContact O-NH1 3.11Å; Y56-R70 PolarHBondContact O-NH2 2.99Å
57L91.9Very high82.4Confident1 Ų174 Ų741%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-133.9132.7171.9179.571.9000107.6V59 C68 R70 F73 L85 L91L57-V59 HydrophobicContact CD2-CG2 4.48Å; L57-C68 PolarHBondContact N-O 3.5Å; L57-C68 CarbonylContact O-C 3.49Å; L57-C68 VanDerWaalsContact O-CA 3.3Å; L57-C68 WeakPolarHBondContact O-CA 3.42Å; L57-C68 WeakPolarHBondContact O-CB 3.49Å; L57-C68 PolarHBondContact O-N 2.88Å; L57-C68 VanDerWaalsContact O-O 3.06Å; L57-R70 HydrophobicContact CB-CB 4.24Å; L57-F73 HydrophobicContact CD2-CB 4.34Å; L57-F73 HydrophobicContact CD2-CD1 4.23Å; L57-F73 HydrophobicContact CD2-CD2 4.02Å; L57-F73 HydrophobicContact CD2-CE2 4.46Å; L57-F73 HydrophobicContact CD2-CG 3.92Å; L57-L85 HydrophobicContact CD1-CD1 4.19Å; L57-L85 HydrophobicContact CD2-CD1 3.99Å; L57-L91 HydrophobicContact CD1-CB 4.16Å; L57-L91 HydrophobicContact CD2-CB 4.1Å; L57-L91 HydrophobicContact CD2-CD2 4.14Å; L57-L91 HydrophobicContact CG-CB 4.28Å
58T94.8Very high83.8Confident45 Ų4569.4 Ų69.428%0.27636%0.363SS..EExtended strand (participates in β ladder)trans-97.8119.9173.9-57.70000109.4K65 S89 T90 L91T58-K65 HydrophobicContact CG2-CB 3.83Å; T58-K65 HydrophobicContact CG2-CD 4.41Å; T58-K65 HydrophobicContact CG2-CG 4.14Å; T58-S89 PolarHBondContact N-O 2.98Å; T58-T90 CarbonylContact O-C 3.49Å; T58-T90 WeakPolarHBondContact O-CA 3.5Å; T58-L91 PolarHBondContact O-N 3.31Å
59V95.5Very high85Confident1 Ų165.3 Ų65.31%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-92.1127.9173.5178.20000109L57 V66 C68 F73 L91 F93L57-V59 HydrophobicContact CD2-CG2 4.48Å; V59-V66 PolarHBondContact N-O 2.92Å; V59-V66 PolarHBondContact O-N 2.92Å; V59-C68 HydrophobicContact CG2-CB 4.07Å; V59-C68 VanDerWaalsContact CG2-SG 3.57Å; V59-F73 HydrophobicContact CG2-CE1 4.07Å; V59-F73 HydrophobicContact CG2-CE2 4.15Å; V59-F73 HydrophobicContact CG2-CZ 3.56Å; V59-L91 CarbonylContact C-O 3.58Å; V59-L91 VanDerWaalsContact CA-O 3.26Å; V59-L91 WeakPolarHBondContact CA-O 3.47Å; V59-L91 HydrophobicContact CG2-CB 4.39Å; V59-L91 HydrophobicContact CG2-CD2 4.42Å; V59-F93 HydrophobicContact CG1-CD1 4.14Å; V59-F93 HydrophobicContact CG1-CD2 3.94Å; V59-F93 HydrophobicContact CG1-CE1 4.19Å; V59-F93 HydrophobicContact CG1-CE2 3.98Å; V59-F93 HydrophobicContact CG1-CG 4.03Å; V59-F93 HydrophobicContact CG1-CZ 4.11Å
60I95Very high85.9Confident35 Ų3561.8 Ų61.818%0.17933%0.328CS..EExtended strand (participates in β ladder)trans-95.8116.3171.8-60179.3000108R64 K65 T90 L91 E92 F93I60-R64 CarbonylContact C-O 3.6Å; I60-R64 WeakPolarHBondContact CA-O 3.42Å; I60-K65 HydrophobicContact CG1-CG 4.3Å; I60-T90 HydrophobicContact CD1-CG2 3.43Å; I60-T90 VanDerWaalsContact CD1-CG2 3.43Å; I60-T90 HydrophobicContact CG1-CG2 3.66Å; I60-L91 PolarHBondContact N-O 3.34Å; I60-E92 HydrophobicContact CB-CG 4.16Å; I60-E92 HydrophobicContact CD1-CG 4.12Å; I60-E92 HydrophobicContact CG1-CG 4.48Å; I60-F93 PolarHBondContact O-N 3.41Å
61L93.4Very high86.8Confident1 Ų164.4 Ų64.41%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-122.5110.8178.8173.562.8000109G63 R64 F93 Y98 G101 H102L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 3.11Å; L61-R64 PolarHBondContact N-O 3.46Å; L61-R64 WeakPolarHBondContact O-CA 3.23Å; L61-R64 VanDerWaalsContact O-CB 3.3Å; L61-R64 WeakPolarHBondContact O-CB 3.47Å; L61-R64 PolarHBondContact O-N 3.17Å; L61-F93 HydrophobicContact CD1-CB 4.41Å; L61-F93 HydrophobicContact CD1-CD2 4.42Å; L61-Y98 HydrophobicContact CD2-CD2 3.69Å; L61-Y98 HydrophobicContact CD2-CE2 3.73Å; L61-Y98 HydrophobicContact CD2-CG 4.49Å; L61-Y98 HydrophobicContact CG-CD2 3.82Å; L61-Y98 HydrophobicContact CG-CE2 4.26Å; L61-G101 VanDerWaalsContact CD1-CA 3.48Å; L61-H102 HydrophobicContact CD2-CB 3.97Å
62D89.5Confident87.9Confident111 Ų11162.2 Ų62.259%0.59432%0.321SS*.THydrogen-bonded Turntrans47.549.4178.6-164.728.4000112.8R64 Y98D62-R64 PolarHBondContact O-N 3.28Å; D62-R64 VanDerWaalsContact O-N 3.16Å; D62-Y98 HydrophobicContact CB-CD2 4.42Å
63G90.2Very high89.1Confident71 Ų7160.2 Ų60.273%0.73231%0.309SS*.THydrogen-bonded Turntrans76.7-10.4-176.900000116L61L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 3.11Å
64R93.3Very high89.9Confident153 Ų15361.4 Ų61.458%0.57731%0.313SS*.EExtended strand (participates in β ladder)trans-89.4135.4178.4-59.5169.5-176.6-97.40.4110.8I60 L61 D62 Y98I60-R64 CarbonylContact C-O 3.6Å; I60-R64 WeakPolarHBondContact CA-O 3.42Å; L61-R64 PolarHBondContact N-O 3.46Å; L61-R64 WeakPolarHBondContact O-CA 3.23Å; L61-R64 VanDerWaalsContact O-CB 3.3Å; L61-R64 WeakPolarHBondContact O-CB 3.47Å; L61-R64 PolarHBondContact O-N 3.17Å; D62-R64 PolarHBondContact O-N 3.28Å; D62-R64 VanDerWaalsContact O-N 3.16Å; R64-Y98 VanDerWaalsContact CD-CE2 3.43Å
65K94.5Very high90.9Very high160 Ų16061.4 Ų61.470%0.69633%0.328SS*.EExtended strand (participates in β ladder)trans-92.9120.3176-66.1-178.3-178.4179.20109.9T58 I60T58-K65 HydrophobicContact CG2-CB 3.83Å; T58-K65 HydrophobicContact CG2-CD 4.41Å; T58-K65 HydrophobicContact CG2-CG 4.14Å; I60-K65 HydrophobicContact CG1-CG 4.3Å
66V94.2Very high91.2Very high43 Ų4361.6 Ų61.626%0.26132%0.324SS..EExtended strand (participates in β ladder)trans-113.7115.2177.8-1710000109.3V59 C68 L105V59-V66 PolarHBondContact N-O 2.92Å; V59-V66 PolarHBondContact O-N 2.92Å; V66-C68 PolarHBondContact O-N 3.25Å; V66-C68 PolarHBondContact O-SG 3.11Å; V66-C68 VanDerWaalsContact O-SG 3.37Å; V66-L105 HydrophobicContact CB-CD2 4.14Å; V66-L105 HydrophobicContact CG1-CD2 3.64Å; V66-L105 HydrophobicContact CG2-CD2 4.43Å
67P93.6Very high91.3Very high107 Ų10755.2 Ų55.270%0.69530%0.301SS*.EExtended strand (participates in β ladder)trans-69.9126.2176.829.2-33.2000109.9
68C92.3Very high91Very high3 Ų362.3 Ų62.32%0.0234%0.339CS..EExtended strand (participates in β ladder)trans-130.6173.8-176.5-62.20000110.6L57 V59 V66 F73L57-C68 PolarHBondContact N-O 3.5Å; L57-C68 CarbonylContact O-C 3.49Å; L57-C68 VanDerWaalsContact O-CA 3.3Å; L57-C68 WeakPolarHBondContact O-CA 3.42Å; L57-C68 WeakPolarHBondContact O-CB 3.49Å; L57-C68 PolarHBondContact O-N 2.88Å; L57-C68 VanDerWaalsContact O-O 3.06Å; V59-C68 HydrophobicContact CG2-CB 4.07Å; V59-C68 VanDerWaalsContact CG2-SG 3.57Å; V66-C68 PolarHBondContact O-N 3.25Å; V66-C68 PolarHBondContact O-SG 3.11Å; V66-C68 VanDerWaalsContact O-SG 3.37Å; C68-F73 HydrophobicContact CB-CD2 4.48Å; C68-F73 HydrophobicContact CB-CE2 3.77Å
69R89.8Confident90.8Very high81 Ų8162 Ų6231%0.30634%0.338SS..EExtended strand (participates in β ladder)trans-110.2123.5178.5-63.2-66.3-176.4174.2-4.7109.7Y56 F71 V72 Y109Y56-R69 VanDerWaalsContact CE1-NH2 3.28Å; Y56-R69 PolarHBondContact OH-NH1 3.41Å; Y56-R69 PolarHBondContact OH-NH2 3.37Å; Y56-R69 VanDerWaalsContact OH-NH2 3.13Å; R69-F71 VanDerWaalsContact C-N 3.27Å; R69-F71 HydrophobicContact CB-CD1 3.66Å; R69-F71 HydrophobicContact CB-CE1 3.59Å; R69-F71 HydrophobicContact CG-CD1 4.48Å; R69-F71 HydrophobicContact CG-CE1 4.04Å; R69-F71 PolarHBondContact O-N 2.93Å; R69-V72 HydrophobicContact CB-CG2 4Å; R69-V72 PolarHBondContact O-N 2.86Å; R69-Y109 PolarHBondContact N-OH 3.09Å
70R89Confident90.7Very high17 Ų1762 Ų626%0.06434%0.338CS..Hα-helixtrans-58.6-39.7-176-176.4175.5-74.790.919.8111.9D55 Y56 L57 V72 F73 V74 L85 V88D55-R70 HydrophobicContact CB-CB 3.97Å; D55-R70 VanDerWaalsContact CB-NH1 3.3Å; D55-R70 PolarHBondContact O-N 3.23Å; D55-R70 IonicContact OD2-NH1 2.74Å; D55-R70 PolarHBondContact OD2-NH1 3.47Å; D55-R70 VanDerWaalsContact OD2-NH1 3.11Å; Y56-R70 PolarHBondContact O-NH1 3.4Å; Y56-R70 VanDerWaalsContact O-NH1 3.11Å; Y56-R70 PolarHBondContact O-NH2 2.99Å; L57-R70 HydrophobicContact CB-CB 4.24Å; R70-V72 PolarHBondContact O-N 3.13Å; R70-F73 PolarHBondContact O-N 3.49Å; R70-F73 VanDerWaalsContact O-N 3.1Å; R70-V74 HydrophobicContact CG-CG2 4.01Å; R70-V74 WeakPolarHBondContact O-CG2 3.35Å; R70-V74 PolarHBondContact O-N 3.11Å; R70-L85 WeakPolarHBondContact CD-O 3.43Å; R70-L85 HydrophobicContact CG-CD2 4.41Å; R70-L85 HydrophobicContact CG-CG 4.22Å; R70-L85 PolarHBondContact NE-O 3.49Å; R70-V88 PolarHBondContact NH2-O 2.87Å
71F86.5Confident90.4Very high81 Ų8164 Ų6436%0.35535%0.349SS..Hα-helixtrans-58.1-34.8-178.783.5-89.9000113.2T52 A53 R69 F73 V74 A75T52-F71 HydrophobicContact CG2-CB 3.68Å; T52-F71 WeakPolarHBondContact O-CB 3.23Å; A53-F71 HydrophobicContact CB-CD1 4.39Å; R69-F71 VanDerWaalsContact C-N 3.27Å; R69-F71 HydrophobicContact CB-CD1 3.66Å; R69-F71 HydrophobicContact CB-CE1 3.59Å; R69-F71 HydrophobicContact CG-CD1 4.48Å; R69-F71 HydrophobicContact CG-CE1 4.04Å; R69-F71 PolarHBondContact O-N 2.93Å; F71-F73 VanDerWaalsContact C-N 3.33Å; F71-F73 PolarHBondContact O-N 3.05Å; F71-V74 PolarHBondContact O-N 3.1Å; F71-A75 VanDerWaalsContact O-CB 3.28Å; F71-A75 WeakPolarHBondContact O-CB 3.44Å; F71-A75 PolarHBondContact O-N 3.21Å
72V89.9Confident90.2Very high17 Ų1765.7 Ų65.710%0.10336%0.359CS..Hα-helixtrans-66.4-40.6-179.8-1760000110R69 R70 A75 R76 V108 Y109R69-V72 HydrophobicContact CB-CG2 4Å; R69-V72 PolarHBondContact O-N 2.86Å; R70-V72 PolarHBondContact O-N 3.13Å; V72-A75 PolarHBondContact O-N 2.74Å; V72-R76 VanDerWaalsContact O-CG 3.23Å; V72-R76 WeakPolarHBondContact O-CG 3.35Å; V72-R76 PolarHBondContact O-N 2.87Å; V72-V108 HydrophobicContact CG1-CG1 3.62Å; V72-Y109 HydrophobicContact CB-CE1 4.21Å; V72-Y109 HydrophobicContact CG1-CD1 4.12Å; V72-Y109 HydrophobicContact CG1-CD2 4.5Å; V72-Y109 HydrophobicContact CG1-CE1 4.03Å; V72-Y109 HydrophobicContact CG1-CE2 4.39Å; V72-Y109 HydrophobicContact CG1-CG 4.37Å; V72-Y109 HydrophobicContact CG2-CD1 4.36Å; V72-Y109 HydrophobicContact CG2-CE1 3.71Å
73F91.4Very high90Very high0 Ų069 Ų690%038%0.377CS..Hα-helixtrans-68.8-45.6177.6-79.7-103.7000111.9L57 V59 C68 R70 F71 A75 R76 S77 W80 L85 L91 F93 L105 V108 Y109L57-F73 HydrophobicContact CD2-CB 4.34Å; L57-F73 HydrophobicContact CD2-CD1 4.23Å; L57-F73 HydrophobicContact CD2-CD2 4.02Å; L57-F73 HydrophobicContact CD2-CE2 4.46Å; L57-F73 HydrophobicContact CD2-CG 3.92Å; V59-F73 HydrophobicContact CG2-CE1 4.07Å; V59-F73 HydrophobicContact CG2-CE2 4.15Å; V59-F73 HydrophobicContact CG2-CZ 3.56Å; C68-F73 HydrophobicContact CB-CD2 4.48Å; C68-F73 HydrophobicContact CB-CE2 3.77Å; R70-F73 PolarHBondContact O-N 3.49Å; R70-F73 VanDerWaalsContact O-N 3.1Å; F71-F73 VanDerWaalsContact C-N 3.33Å; F71-F73 PolarHBondContact O-N 3.05Å; F73-A75 VanDerWaalsContact C-N 3.28Å; F73-A75 PolarHBondContact O-N 2.86Å; F73-R76 PolarHBondContact O-N 2.95Å; F73-R76 VanDerWaalsContact O-N 3.13Å; F73-S77 PolarHBondContact O-N 2.67Å; F73-S77 VanDerWaalsContact O-O 3.07Å; F73-W80 HydrophobicContact CB-CZ2 4.34Å; F73-W80 AromaticContact CD1-CD2 3.66Å; F73-W80 HydrophobicContact CD1-CD2 3.66Å; F73-W80 AromaticContact CD1-CE2 3.5Å; F73-W80 VanDerWaalsContact CD1-CE2 3.5Å; F73-W80 AromaticContact CD1-CE3 3.85Å; F73-W80 HydrophobicContact CD1-CE3 3.85Å; F73-W80 HydrophobicContact CD1-CG 4.35Å; F73-W80 AromaticContact CD1-CH2 3.77Å; F73-W80 HydrophobicContact CD1-CH2 3.77Å; F73-W80 AromaticContact CD1-CZ2 3.56Å; F73-W80 HydrophobicContact CD1-CZ2 3.56Å; F73-W80 AromaticContact CD1-CZ3 3.91Å; F73-W80 HydrophobicContact CD1-CZ3 3.91Å; F73-W80 HydrophobicContact CE1-CD2 4.31Å; F73-W80 HydrophobicContact CE1-CE3 4.03Å; F73-W80 AromaticContact CE1-CH2 3.89Å; F73-W80 HydrophobicContact CE1-CH2 3.89Å; F73-W80 HydrophobicContact CE1-CZ2 4.16Å; F73-W80 AromaticContact CE1-CZ3 3.81Å; F73-W80 HydrophobicContact CE1-CZ3 3.81Å; F73-W80 HydrophobicContact CG-CZ2 4.26Å; F73-W80 PolarHBondContact O-NE1 2.96Å; F73-L85 HydrophobicContact CB-CD2 3.64Å; F73-L91 HydrophobicContact CD1-CD2 3.61Å; F73-L91 HydrophobicContact CE1-CD2 3.57Å; F73-F93 HydrophobicContact CE1-CE1 4.26Å; F73-F93 AromaticContact CE1-CZ 3.91Å; F73-F93 HydrophobicContact CE1-CZ 3.91Å; F73-F93 HydrophobicContact CZ-CZ 4.4Å; F73-L105 HydrophobicContact CE2-CD1 4.12Å; F73-L105 HydrophobicContact CZ-CD1 3.66Å; F73-V108 HydrophobicContact CD2-CG1 4.3Å; F73-V108 HydrophobicContact CE2-CG1 4.06Å; F73-V108 HydrophobicContact CZ-CG1 4.23Å; F73-Y109 HydrophobicContact CE2-CE2 4.36Å
74V87.3Confident89.7Confident63 Ų6369 Ų6938%0.38236%0.361SS..Hα-helixtrans-59.4-40.8176.1175.40000110.9R70 F71 R76 L85R70-V74 HydrophobicContact CG-CG2 4.01Å; R70-V74 WeakPolarHBondContact O-CG2 3.35Å; R70-V74 PolarHBondContact O-N 3.11Å; F71-V74 PolarHBondContact O-N 3.1Å; V74-R76 VanDerWaalsContact C-N 3.27Å; V74-R76 PolarHBondContact O-N 3.47Å; V74-L85 HydrophobicContact CG2-CD2 3.67Å; V74-L85 HydrophobicContact CG2-CG 4.41Å
75A87Confident89.4Confident85 Ų8562.6 Ų62.670%0.70234%0.337SS*.Hα-helixtrans-67.7-26178.600000113.4F71 V72 F73F71-A75 VanDerWaalsContact O-CB 3.28Å; F71-A75 WeakPolarHBondContact O-CB 3.44Å; F71-A75 PolarHBondContact O-N 3.21Å; V72-A75 PolarHBondContact O-N 2.74Å; F73-A75 VanDerWaalsContact C-N 3.28Å; F73-A75 PolarHBondContact O-N 2.86Å
76R88.9Confident88.9Confident70 Ų7058.2 Ų58.226%0.26433%0.331SS..Hα-helixtrans-89.5-35.5-177.2-73-69.9-168.1162.2-2.1113.5V72 F73 V74 W80 W107 V108 D111 L134V72-R76 VanDerWaalsContact O-CG 3.23Å; V72-R76 WeakPolarHBondContact O-CG 3.35Å; V72-R76 PolarHBondContact O-N 2.87Å; F73-R76 PolarHBondContact O-N 2.95Å; F73-R76 VanDerWaalsContact O-N 3.13Å; V74-R76 VanDerWaalsContact C-N 3.27Å; V74-R76 PolarHBondContact O-N 3.47Å; R76-W80 HydrophobicContact CB-CZ2 4.08Å; R76-W107 VanDerWaalsContact NH1-CZ2 3.28Å; R76-W107 PolarHBondContact NH2-O 3.23Å; R76-W107 VanDerWaalsContact NH2-O 3.1Å; R76-V108 HydrophobicContact CG-CG1 4.24Å; R76-V108 VanDerWaalsContact CZ-O 3.31Å; R76-V108 PolarHBondContact NE-O 3.22Å; R76-V108 PolarHBondContact NH2-O 2.81Å; R76-D111 IonicContact CZ-OD1 3.89Å; R76-D111 IonicContact NH1-OD1 3.11Å; R76-D111 PolarHBondContact NH1-OD1 3.17Å; R76-D111 IonicContact NH2-OD1 3.83Å; R76-L134 HydrophobicContact CB-CD2 4.34Å; R76-L134 WeakPolarHBondContact O-CD2 3.43Å
77S89.2Confident88.5Confident14 Ų1464.7 Ų64.710%0.09836%0.356CS..  trans-164.3148.1179.2-174.50000111.7F73 C79 W80 F132F73-S77 PolarHBondContact O-N 2.67Å; F73-S77 VanDerWaalsContact O-O 3.07Å; S77-C79 VanDerWaalsContact C-N 3.27Å; S77-C79 PolarHBondContact OG-N 3.06Å; S77-C79 PolarHBondContact OG-O 3.1Å; S77-W80 VanDerWaalsContact O-CD1 3.28Å; S77-W80 PolarHBondContact O-NE1 2.86Å; S77-F132 WeakPolarHBondContact CB-O 3.3Å; S77-F132 PolarHBondContact OG-O 3.31Å
78D86.3Confident88.4Confident150 Ų15061.5 Ų61.580%0.80234%0.335SS*.SBendtrans-80.6-10.8167.2-60.6-47.2000112.5
79C89.9Confident88.4Confident38 Ų3865.4 Ų65.426%0.25736%0.362SS..  trans-116.3100.6-171.1-68.80000111.8S77 F132 K133S77-C79 VanDerWaalsContact C-N 3.27Å; S77-C79 PolarHBondContact OG-N 3.06Å; S77-C79 PolarHBondContact OG-O 3.1Å; C79-F132 CarbonylContact O-C 3.59Å; C79-F132 VanDerWaalsContact O-CA 3.29Å; C79-F132 WeakPolarHBondContact O-CA 3.11Å; C79-K133 HydrophobicContact CB-CB 4.35Å; C79-K133 HydrophobicContact CB-CD 4.12Å; C79-K133 HydrophobicContact CB-CG 4.12Å
80W92.4Very high88.5Confident1 Ų164.1 Ų64.10%0.00436%0.363CS..SBendtrans-124.232.9177-67.499.7000112.8F73 R76 S77 V82 L91 F93 V108 F132 L134F73-W80 HydrophobicContact CB-CZ2 4.34Å; F73-W80 AromaticContact CD1-CD2 3.66Å; F73-W80 HydrophobicContact CD1-CD2 3.66Å; F73-W80 AromaticContact CD1-CE2 3.5Å; F73-W80 VanDerWaalsContact CD1-CE2 3.5Å; F73-W80 AromaticContact CD1-CE3 3.85Å; F73-W80 HydrophobicContact CD1-CE3 3.85Å; F73-W80 HydrophobicContact CD1-CG 4.35Å; F73-W80 AromaticContact CD1-CH2 3.77Å; F73-W80 HydrophobicContact CD1-CH2 3.77Å; F73-W80 AromaticContact CD1-CZ2 3.56Å; F73-W80 HydrophobicContact CD1-CZ2 3.56Å; F73-W80 AromaticContact CD1-CZ3 3.91Å; F73-W80 HydrophobicContact CD1-CZ3 3.91Å; F73-W80 HydrophobicContact CE1-CD2 4.31Å; F73-W80 HydrophobicContact CE1-CE3 4.03Å; F73-W80 AromaticContact CE1-CH2 3.89Å; F73-W80 HydrophobicContact CE1-CH2 3.89Å; F73-W80 HydrophobicContact CE1-CZ2 4.16Å; F73-W80 AromaticContact CE1-CZ3 3.81Å; F73-W80 HydrophobicContact CE1-CZ3 3.81Å; F73-W80 HydrophobicContact CG-CZ2 4.26Å; F73-W80 PolarHBondContact O-NE1 2.96Å; R76-W80 HydrophobicContact CB-CZ2 4.08Å; S77-W80 VanDerWaalsContact O-CD1 3.28Å; S77-W80 PolarHBondContact O-NE1 2.86Å; W80-V82 HydrophobicContact CB-CG2 4.19Å; W80-V82 PolarHBondContact O-N 3.03Å; W80-V82 VanDerWaalsContact O-N 3.11Å; W80-L91 HydrophobicContact CB-CD1 3.84Å; W80-L91 HydrophobicContact CB-CD2 4.03Å; W80-L91 HydrophobicContact CD2-CD2 4.18Å; W80-L91 HydrophobicContact CE3-CD2 4Å; W80-L91 HydrophobicContact CG-CD2 4.22Å; W80-L91 WeakPolarHBondContact O-CD1 3.47Å; W80-F93 AromaticContact CE3-CE1 3.99Å; W80-F93 HydrophobicContact CE3-CE1 3.99Å; W80-F93 HydrophobicContact CE3-CZ 4.35Å; W80-F93 AromaticContact CZ3-CE1 3.96Å; W80-F93 HydrophobicContact CZ3-CE1 3.96Å; W80-F93 AromaticContact CZ3-CZ 3.87Å; W80-F93 HydrophobicContact CZ3-CZ 3.87Å; W80-V108 HydrophobicContact CH2-CG2 3.62Å; W80-V108 HydrophobicContact CZ2-CG2 4.32Å; W80-F132 HydrophobicContact CE3-CB 4.37Å; W80-F132 AromaticContact CE3-CD1 3.81Å; W80-F132 HydrophobicContact CE3-CD1 3.81Å; W80-F132 HydrophobicContact CE3-CD2 4.27Å; W80-F132 HydrophobicContact CE3-CE1 4.03Å; W80-F132 AromaticContact CE3-CG 3.91Å; W80-F132 HydrophobicContact CE3-CG 3.91Å; W80-F132 HydrophobicContact CE3-CZ 4.41Å; W80-F132 HydrophobicContact CZ3-CB 4.36Å; W80-F132 HydrophobicContact CZ3-CD1 4.38Å; W80-F132 HydrophobicContact CZ3-CD2 4.04Å; W80-F132 HydrophobicContact CZ3-CE2 4.41Å; W80-F132 HydrophobicContact CZ3-CG 4.03Å; W80-L134 HydrophobicContact CH2-CD1 4.06Å; W80-L134 HydrophobicContact CH2-CD2 4.48Å; W80-L134 HydrophobicContact CZ2-CD2 4.41Å; W80-L134 HydrophobicContact CZ3-CD1 4.5Å
81N89.2Confident88.8Confident77 Ų7763.4 Ų63.441%0.41236%0.36SS..SBendtrans56.519.4-172-53.5-38.6000115.7R131 F132N81-R131 PolarHBondContact ND2-NE 2.75Å; N81-R131 PolarHBondContact ND2-NH2 3.14Å; N81-R131 WeakPolarHBondContact OD1-CG 3.43Å; N81-R131 PolarHBondContact OD1-NE 3.39Å; N81-F132 WeakPolarHBondContact ND2-CE1 3.47Å
82V89.4Confident89.1Confident37 Ų3764.9 Ų64.922%0.22437%0.369CS..SBendtrans-125140.3175.3-66.60000108.1W80 N84 L85 V88 L91W80-V82 HydrophobicContact CB-CG2 4.19Å; W80-V82 PolarHBondContact O-N 3.03Å; W80-V82 VanDerWaalsContact O-N 3.11Å; V82-N84 PolarHBondContact O-N 3.3Å; V82-L85 HydrophobicContact CG2-CB 4.25Å; V82-L85 HydrophobicContact CG2-CD1 3.99Å; V82-V88 HydrophobicContact CB-CG1 4.38Å; V82-V88 HydrophobicContact CB-CG2 4.29Å; V82-V88 HydrophobicContact CG1-CG1 4.39Å; V82-V88 HydrophobicContact CG1-CG2 4.29Å; V82-V88 HydrophobicContact CG2-CG2 4.04Å; V82-L91 HydrophobicContact CG1-CD1 4.09Å; V82-L91 HydrophobicContact CG2-CD1 4.48Å
83N85.5Confident89.2Confident182 Ų18264.3 Ų64.397%0.97337%0.365SS*.SBendtrans-62.2-34.1-177.8-67.3-25.5000112.3
84N85Confident89.1Confident71 Ų7170.5 Ų70.538%0.3839%0.394SS..  trans-150.3109.5177.6-173.6-24.5000110.2V82 A86 K87V82-N84 PolarHBondContact O-N 3.3Å; N84-A86 PolarHBondContact O-N 2.94Å; N84-A86 WeakPolarHBondContact OD1-CA 3.46Å; N84-A86 VanDerWaalsContact OD1-CB 3.23Å; N84-A86 WeakPolarHBondContact OD1-CB 3.21Å; N84-A86 PolarHBondContact OD1-N 3.37Å; N84-K87 HydrophobicContact CB-CB 4.36Å; N84-K87 HydrophobicContact CB-CD 4.22Å; N84-K87 HydrophobicContact CB-CG 4.2Å; N84-K87 PolarHBondContact O-N 3.38Å; N84-K87 VanDerWaalsContact O-N 3.11Å
85L87Confident89.2Confident17 Ų1771.2 Ų71.29%0.08941%0.413CS..G310 helixtrans-62.9-26.8-179.6-171.462000113L57 R70 F73 V74 V82 K87 V88L57-L85 HydrophobicContact CD1-CD1 4.19Å; L57-L85 HydrophobicContact CD2-CD1 3.99Å; R70-L85 WeakPolarHBondContact CD-O 3.43Å; R70-L85 HydrophobicContact CG-CD2 4.41Å; R70-L85 HydrophobicContact CG-CG 4.22Å; R70-L85 PolarHBondContact NE-O 3.49Å; F73-L85 HydrophobicContact CB-CD2 3.64Å; V74-L85 HydrophobicContact CG2-CD2 3.67Å; V74-L85 HydrophobicContact CG2-CG 4.41Å; V82-L85 HydrophobicContact CG2-CB 4.25Å; V82-L85 HydrophobicContact CG2-CD1 3.99Å; L85-K87 VanDerWaalsContact C-N 3.27Å; L85-K87 PolarHBondContact O-N 2.74Å; L85-V88 HydrophobicContact CD1-CG2 3.95Å
86A83.5Confident89.5Confident69 Ų6968.2 Ų68.257%0.5739%0.386SS*.G310 helixtrans-71.3-20.1177.500000113.4N84N84-A86 PolarHBondContact O-N 2.94Å; N84-A86 WeakPolarHBondContact OD1-CA 3.46Å; N84-A86 VanDerWaalsContact OD1-CB 3.23Å; N84-A86 WeakPolarHBondContact OD1-CB 3.21Å; N84-A86 PolarHBondContact OD1-N 3.37Å
87K86.3Confident89.7Confident178 Ų17867.6 Ų67.677%0.77439%0.39SS*.G310 helixtrans-96.9-9-178.3-66.1-174.8179.4-176.60113.9N84 L85N84-K87 HydrophobicContact CB-CB 4.36Å; N84-K87 HydrophobicContact CB-CD 4.22Å; N84-K87 HydrophobicContact CB-CG 4.2Å; N84-K87 PolarHBondContact O-N 3.38Å; N84-K87 VanDerWaalsContact O-N 3.11Å; L85-K87 VanDerWaalsContact C-N 3.27Å; L85-K87 PolarHBondContact O-N 2.74Å
88V90.9Very high89.9Confident41 Ų4170.7 Ų70.725%0.24840%0.401CS..  trans-108.8130-176.3-61.30000110.5R70 V82 L85R70-V88 PolarHBondContact NH2-O 2.87Å; V82-V88 HydrophobicContact CB-CG1 4.38Å; V82-V88 HydrophobicContact CB-CG2 4.29Å; V82-V88 HydrophobicContact CG1-CG1 4.39Å; V82-V88 HydrophobicContact CG1-CG2 4.29Å; V82-V88 HydrophobicContact CG2-CG2 4.04Å; L85-V88 HydrophobicContact CD1-CG2 3.95Å
89S91.2Very high90.2Very high85 Ų8567.5 Ų67.559%0.59438%0.384SS*.SBendtrans-84.1-18.9174.352.60000112.9T58T58-S89 PolarHBondContact N-O 2.98Å
90T93.1Very high90.4Very high54 Ų5465.7 Ų65.733%0.33137%0.371SS..EExtended strand (participates in β ladder)trans-129.7138.5-175.9-55.30000110.2T58 I60T58-T90 CarbonylContact O-C 3.49Å; T58-T90 WeakPolarHBondContact O-CA 3.5Å; I60-T90 HydrophobicContact CD1-CG2 3.43Å; I60-T90 VanDerWaalsContact CD1-CG2 3.43Å; I60-T90 HydrophobicContact CG1-CG2 3.66Å
91L94.3Very high90.6Very high1 Ų165.7 Ų65.71%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-122.5126.2175.6175.763.2000109.1L57 T58 V59 I60 F73 W80 V82 F93L57-L91 HydrophobicContact CD1-CB 4.16Å; L57-L91 HydrophobicContact CD2-CB 4.1Å; L57-L91 HydrophobicContact CD2-CD2 4.14Å; L57-L91 HydrophobicContact CG-CB 4.28Å; T58-L91 PolarHBondContact O-N 3.31Å; V59-L91 CarbonylContact C-O 3.58Å; V59-L91 VanDerWaalsContact CA-O 3.26Å; V59-L91 WeakPolarHBondContact CA-O 3.47Å; V59-L91 HydrophobicContact CG2-CB 4.39Å; V59-L91 HydrophobicContact CG2-CD2 4.42Å; I60-L91 PolarHBondContact N-O 3.34Å; F73-L91 HydrophobicContact CD1-CD2 3.61Å; F73-L91 HydrophobicContact CE1-CD2 3.57Å; W80-L91 HydrophobicContact CB-CD1 3.84Å; W80-L91 HydrophobicContact CB-CD2 4.03Å; W80-L91 HydrophobicContact CD2-CD2 4.18Å; W80-L91 HydrophobicContact CE3-CD2 4Å; W80-L91 HydrophobicContact CG-CD2 4.22Å; W80-L91 WeakPolarHBondContact O-CD1 3.47Å; V82-L91 HydrophobicContact CG1-CD1 4.09Å; V82-L91 HydrophobicContact CG2-CD1 4.48Å; L91-F93 HydrophobicContact CD2-CD1 4.48Å; L91-F93 HydrophobicContact CD2-CE1 3.78Å; L91-F93 HydrophobicContact CG-CD1 4.35Å; L91-F93 HydrophobicContact CG-CE1 4.12Å
92E92.7Very high90.8Very high113 Ų11366.2 Ų66.253%0.52837%0.371SS..EExtended strand (participates in β ladder)trans-102.7125.8-179-58.1-164.4163.600111.2I60 E94I60-E92 HydrophobicContact CB-CG 4.16Å; I60-E92 HydrophobicContact CD1-CG 4.12Å; I60-E92 HydrophobicContact CG1-CG 4.48Å; E92-E94 PolarHBondContact O-N 2.68Å; E92-E94 VanDerWaalsContact O-N 3.12Å
93F93.6Very high91.1Very high5 Ų564.9 Ų64.92%0.02236%0.363CS..  trans-86.860.2170.5-77.94.1000109.8V59 I60 L61 F73 W80 L91 G95 L96 L104 F132V59-F93 HydrophobicContact CG1-CD1 4.14Å; V59-F93 HydrophobicContact CG1-CD2 3.94Å; V59-F93 HydrophobicContact CG1-CE1 4.19Å; V59-F93 HydrophobicContact CG1-CE2 3.98Å; V59-F93 HydrophobicContact CG1-CG 4.03Å; V59-F93 HydrophobicContact CG1-CZ 4.11Å; I60-F93 PolarHBondContact O-N 3.41Å; L61-F93 HydrophobicContact CD1-CB 4.41Å; L61-F93 HydrophobicContact CD1-CD2 4.42Å; F73-F93 HydrophobicContact CE1-CE1 4.26Å; F73-F93 AromaticContact CE1-CZ 3.91Å; F73-F93 HydrophobicContact CE1-CZ 3.91Å; F73-F93 HydrophobicContact CZ-CZ 4.4Å; W80-F93 AromaticContact CE3-CE1 3.99Å; W80-F93 HydrophobicContact CE3-CE1 3.99Å; W80-F93 HydrophobicContact CE3-CZ 4.35Å; W80-F93 AromaticContact CZ3-CE1 3.96Å; W80-F93 HydrophobicContact CZ3-CE1 3.96Å; W80-F93 AromaticContact CZ3-CZ 3.87Å; W80-F93 HydrophobicContact CZ3-CZ 3.87Å; L91-F93 HydrophobicContact CD2-CD1 4.48Å; L91-F93 HydrophobicContact CD2-CE1 3.78Å; L91-F93 HydrophobicContact CG-CD1 4.35Å; L91-F93 HydrophobicContact CG-CE1 4.12Å; F93-G95 PolarHBondContact O-N 2.95Å; F93-L96 HydrophobicContact CB-CB 4.47Å; F93-L96 HydrophobicContact CB-CD1 4.07Å; F93-L96 HydrophobicContact CD2-CD1 4.33Å; F93-L96 HydrophobicContact CG-CD1 4.23Å; F93-L96 PolarHBondContact O-N 2.96Å; F93-L104 HydrophobicContact CD2-CD2 4.22Å; F93-L104 HydrophobicContact CE1-CD2 4.49Å; F93-L104 HydrophobicContact CE2-CB 4.5Å; F93-L104 HydrophobicContact CE2-CD2 3.68Å; F93-L104 HydrophobicContact CE2-CG 4.11Å; F93-L104 HydrophobicContact CZ-CD2 3.82Å; F93-L104 HydrophobicContact CZ-CG 4.35Å; F93-F132 HydrophobicContact CD1-CE2 4.38Å; F93-F132 AromaticContact CD1-CZ 3.93Å; F93-F132 HydrophobicContact CD1-CZ 3.93Å; F93-F132 HydrophobicContact CE1-CE2 4.26Å; F93-F132 HydrophobicContact CE1-CZ 4.01Å
94E88.7Confident91.6Very high130 Ų13056.2 Ų56.261%0.60732%0.317SS*.THydrogen-bonded Turntrans-61.5133-176.9-172.1-176.1-166.900111.7E92 L96 R131E92-E94 PolarHBondContact O-N 2.68Å; E92-E94 VanDerWaalsContact O-N 3.12Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 3.2Å; E94-R131 PolarHBondContact O-NH1 2.99Å
95G90.1Very high92.1Very high77 Ų7753.5 Ų53.579%0.79430%0.302SS*.THydrogen-bonded Turntrans75.97177.800000114.9F93F93-G95 PolarHBondContact O-N 2.95Å
96L92.8Very high92.5Very high23 Ų2355.9 Ų55.912%0.1231%0.312CS..  trans-98.5125.3173.4-62.9-177.2000110.6F93 E94 T100 L104 A128 F132F93-L96 HydrophobicContact CB-CB 4.47Å; F93-L96 HydrophobicContact CB-CD1 4.07Å; F93-L96 HydrophobicContact CD2-CD1 4.33Å; F93-L96 HydrophobicContact CG-CD1 4.23Å; F93-L96 PolarHBondContact O-N 2.96Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 3.2Å; L96-T100 HydrophobicContact CD2-CG2 4.4Å; L96-L104 HydrophobicContact CD1-CD2 4.02Å; L96-A128 HydrophobicContact CD1-CB 3.91Å; L96-A128 HydrophobicContact CD2-CB 3.66Å; L96-A128 HydrophobicContact CG-CB 4.48Å; L96-F132 HydrophobicContact CD1-CE2 4.04Å
97P92.7Very high93.1Very high56 Ų5652.8 Ų52.836%0.36429%0.285SS..  trans-55.4151.7167.4-22.632.7000111D99 T100 G101P97-D99 VanDerWaalsContact C-N 3.28Å; P97-D99 PolarHBondContact O-N 2.99Å; P97-T100 PolarHBondContact O-N 3.16Å; P97-G101 PolarHBondContact O-N 3.4Å
98Y93.2Very high93.4Very high80 Ų8044.4 Ų44.431%0.31425%0.249SC..Hα-helixtrans-51.6-46.1-179.6179.6-96.4000112.4L61 D62 R64 T100 G101 H102L61-Y98 HydrophobicContact CD2-CD2 3.69Å; L61-Y98 HydrophobicContact CD2-CE2 3.73Å; L61-Y98 HydrophobicContact CD2-CG 4.49Å; L61-Y98 HydrophobicContact CG-CD2 3.82Å; L61-Y98 HydrophobicContact CG-CE2 4.26Å; D62-Y98 HydrophobicContact CB-CD2 4.42Å; R64-Y98 VanDerWaalsContact CD-CE2 3.43Å; Y98-T100 PolarHBondContact O-N 3.36Å; Y98-G101 PolarHBondContact O-N 2.82Å; Y98-H102 HydrophobicContact CE1-CB 4.29Å; Y98-H102 WeakPolarHBondContact O-CB 3.49Å; Y98-H102 PolarHBondContact O-N 2.94Å
99D92.6Very high93.5Very high83 Ų8347.3 Ų47.344%0.44426%0.256SS..Hα-helixtrans-63.2-43.8-177.7-64.4-26.7000112.5P97 T103 W120P97-D99 VanDerWaalsContact C-N 3.28Å; P97-D99 PolarHBondContact O-N 2.99Å; D99-T103 WeakPolarHBondContact O-CB 3.33Å; D99-T103 PolarHBondContact O-N 3.45Å; D99-T103 PolarHBondContact O-OG1 2.94Å; D99-W120 HydrophobicContact CB-CH2 4.29Å
100T95Very high93.6Very high0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-66.5-47.8178.1-54.50000110.9L96 P97 Y98 T103 L104 D124 L125L96-T100 HydrophobicContact CD2-CG2 4.4Å; P97-T100 PolarHBondContact O-N 3.16Å; Y98-T100 PolarHBondContact O-N 3.36Å; T100-T103 PolarHBondContact O-N 3.25Å; T100-L104 WeakPolarHBondContact O-CB 3.26Å; T100-L104 PolarHBondContact O-N 3.29Å; T100-D124 HydrophobicContact CG2-CB 3.77Å; T100-L125 HydrophobicContact CG2-CB 4.15Å; T100-L125 HydrophobicContact CG2-CD1 4.44Å
101G95.2Very high93.6Very high0 Ų047.7 Ų47.70%025%0.252CS..Hα-helixtrans-72.1-29.9-179.300000113.2L61 P97 Y98 L105L61-G101 VanDerWaalsContact CD1-CA 3.48Å; P97-G101 PolarHBondContact O-N 3.4Å; Y98-G101 PolarHBondContact O-N 2.82Å; G101-L105 WeakPolarHBondContact O-CB 3.45Å; G101-L105 PolarHBondContact O-N 2.78Å
102H94.9Very high93.4Very high88 Ų8853.2 Ų53.241%0.40728%0.278SS..Hα-helixtrans-66.8-44.4171-178.373.4000110.8L61 Y98 L104 L105 K106L61-H102 HydrophobicContact CD2-CB 3.97Å; Y98-H102 HydrophobicContact CE1-CB 4.29Å; Y98-H102 WeakPolarHBondContact O-CB 3.49Å; Y98-H102 PolarHBondContact O-N 2.94Å; H102-L104 VanDerWaalsContact C-N 3.35Å; H102-L104 PolarHBondContact O-N 3.35Å; H102-L105 PolarHBondContact O-N 3.38Å; H102-K106 WeakPolarHBondContact O-CB 3.29Å; H102-K106 PolarHBondContact O-N 3.5Å
103T95.2Very high93.5Very high10 Ų1048 Ų486%0.06125%0.254CS..Hα-helixtrans-62.2-43.6175.5-56.50000111.3D99 T100 L105 K106 W107 V113 L117 L125D99-T103 WeakPolarHBondContact O-CB 3.33Å; D99-T103 PolarHBondContact O-N 3.45Å; D99-T103 PolarHBondContact O-OG1 2.94Å; T100-T103 PolarHBondContact O-N 3.25Å; T103-L105 VanDerWaalsContact C-N 3.33Å; T103-L105 PolarHBondContact O-N 2.89Å; T103-K106 PolarHBondContact O-N 2.72Å; T103-W107 WeakPolarHBondContact O-CB 3.08Å; T103-W107 PolarHBondContact O-N 2.71Å; T103-V113 HydrophobicContact CG2-CG1 4.27Å; T103-L117 HydrophobicContact CG2-CD1 4.49Å; T103-L117 HydrophobicContact CG2-CD2 3.64Å; T103-L125 HydrophobicContact CG2-CD2 3.74Å
104L96.1Very high93.3Very high0 Ų051 Ų510%027%0.27CS..Hα-helixtrans-57.8-47.1174.6176.962.4000111.1F93 L96 T100 H102 W107 V108 L125 A128 F132 L134 L137F93-L104 HydrophobicContact CD2-CD2 4.22Å; F93-L104 HydrophobicContact CE1-CD2 4.49Å; F93-L104 HydrophobicContact CE2-CB 4.5Å; F93-L104 HydrophobicContact CE2-CD2 3.68Å; F93-L104 HydrophobicContact CE2-CG 4.11Å; F93-L104 HydrophobicContact CZ-CD2 3.82Å; F93-L104 HydrophobicContact CZ-CG 4.35Å; L96-L104 HydrophobicContact CD1-CD2 4.02Å; T100-L104 WeakPolarHBondContact O-CB 3.26Å; T100-L104 PolarHBondContact O-N 3.29Å; H102-L104 VanDerWaalsContact C-N 3.35Å; H102-L104 PolarHBondContact O-N 3.35Å; L104-W107 PolarHBondContact O-N 2.81Å; L104-V108 WeakPolarHBondContact O-CG2 3.49Å; L104-V108 PolarHBondContact O-N 3.44Å; L104-L125 HydrophobicContact CB-CD1 3.7Å; L104-L125 HydrophobicContact CD1-CD1 4.11Å; L104-L125 HydrophobicContact CG-CD1 4.48Å; L104-A128 HydrophobicContact CD2-CB 4.4Å; L104-F132 HydrophobicContact CD2-CD2 3.68Å; L104-F132 HydrophobicContact CD2-CE2 3.46Å; L104-F132 VanDerWaalsContact CD2-CE2 3.46Å; L104-L134 HydrophobicContact CD1-CD1 3.66Å; L104-L137 HydrophobicContact CD1-CD2 3.49Å; L104-L137 VanDerWaalsContact CD1-CD2 3.49Å
105L95.3Very high93.1Very high14 Ų1449.6 Ų49.67%0.07327%0.27CS..Hα-helixtrans-63.6-42.9178.9-175.463.2000111.8V66 F73 G101 H102 T103 W107 V108 Y109V66-L105 HydrophobicContact CB-CD2 4.14Å; V66-L105 HydrophobicContact CG1-CD2 3.64Å; V66-L105 HydrophobicContact CG2-CD2 4.43Å; F73-L105 HydrophobicContact CE2-CD1 4.12Å; F73-L105 HydrophobicContact CZ-CD1 3.66Å; G101-L105 WeakPolarHBondContact O-CB 3.45Å; G101-L105 PolarHBondContact O-N 2.78Å; H102-L105 PolarHBondContact O-N 3.38Å; T103-L105 VanDerWaalsContact C-N 3.33Å; T103-L105 PolarHBondContact O-N 2.89Å; L105-W107 PolarHBondContact O-N 3.31Å; L105-V108 WeakPolarHBondContact O-CB 3.38Å; L105-V108 PolarHBondContact O-N 2.85Å; L105-Y109 HydrophobicContact CD1-CD2 4.25Å; L105-Y109 HydrophobicContact CD1-CE2 3.99Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 3.17Å
106K95Very high93Very high66 Ų6655.7 Ų55.729%0.28728%0.275SS..Hα-helixtrans-57.3-49.9173.9-180177.1169.5-176.60110.3H102 T103 V108 Y109 T110 D114H102-K106 WeakPolarHBondContact O-CB 3.29Å; H102-K106 PolarHBondContact O-N 3.5Å; T103-K106 PolarHBondContact O-N 2.72Å; K106-V108 VanDerWaalsContact C-N 3.33Å; K106-V108 PolarHBondContact O-N 2.91Å; K106-Y109 PolarHBondContact O-N 2.8Å; K106-T110 HydrophobicContact CG-CG2 4.27Å; K106-T110 PolarHBondContact O-N 2.91Å; K106-T110 PolarHBondContact O-OG1 2.97Å; K106-D114 IonicContact NZ-OD1 2.71Å; K106-D114 PolarHBondContact NZ-OD1 3.25Å; K106-D114 IonicContact NZ-OD2 2.72Å; K106-D114 PolarHBondContact NZ-OD2 3.26Å
107W95.6Very high92.7Very high5 Ų556.1 Ų56.12%0.01928%0.277CS..Hα-helixtrans-59.5-40.2178.4177.381.1000112.9R76 T103 L104 L105 Y109 T110 D111 V113 L134 Q136 L137R76-W107 VanDerWaalsContact NH1-CZ2 3.28Å; R76-W107 PolarHBondContact NH2-O 3.23Å; R76-W107 VanDerWaalsContact NH2-O 3.1Å; T103-W107 WeakPolarHBondContact O-CB 3.08Å; T103-W107 PolarHBondContact O-N 2.71Å; L104-W107 PolarHBondContact O-N 2.81Å; L105-W107 PolarHBondContact O-N 3.31Å; W107-Y109 PolarHBondContact O-N 3.26Å; W107-Y109 VanDerWaalsContact O-N 3.14Å; W107-T110 PolarHBondContact O-N 3.35Å; W107-D111 WeakPolarHBondContact CZ2-OD1 3.41Å; W107-D111 PolarHBondContact NE1-O 3.11Å; W107-D111 PolarHBondContact NE1-OD1 3Å; W107-D111 WeakPolarHBondContact O-CA 3.38Å; W107-D111 PolarHBondContact O-N 3.38Å; W107-V113 HydrophobicContact CB-CG2 4.38Å; W107-V113 HydrophobicContact CG-CG2 4.21Å; W107-L134 HydrophobicContact CE3-CD1 4.4Å; W107-L134 HydrophobicContact CH2-CB 4.33Å; W107-L134 HydrophobicContact CH2-CD2 4.18Å; W107-L134 HydrophobicContact CZ3-CB 4.31Å; W107-L134 HydrophobicContact CZ3-CD1 3.84Å; W107-L134 HydrophobicContact CZ3-CD2 3.87Å; W107-L134 HydrophobicContact CZ3-CG 4.23Å; W107-Q136 HydrophobicContact CH2-CB 4.49Å; W107-Q136 HydrophobicContact CZ2-CB 4.02Å; W107-L137 HydrophobicContact CB-CD1 4.44Å; W107-L137 HydrophobicContact CD2-CB 4.05Å; W107-L137 HydrophobicContact CD2-CD1 3.8Å; W107-L137 HydrophobicContact CD2-CD2 4Å; W107-L137 HydrophobicContact CD2-CG 4.17Å; W107-L137 HydrophobicContact CE3-CB 4.21Å; W107-L137 HydrophobicContact CE3-CD2 3.86Å; W107-L137 HydrophobicContact CE3-CG 4.43Å; W107-L137 HydrophobicContact CG-CD1 3.72Å; W107-L137 HydrophobicContact CG-CD2 4.44Å; W107-L137 HydrophobicContact CH2-CB 3.86Å; W107-L137 HydrophobicContact CZ2-CB 3.67Å; W107-L137 HydrophobicContact CZ3-CB 4.14Å; W107-L137 HydrophobicContact CZ3-CD2 4.32Å
108V94Very high92.6Very high1 Ų155 Ų551%0.00628%0.276CS..Hα-helixtrans-54-35.8175.8162.60000111.5V72 F73 R76 W80 L104 L105 K106V72-V108 HydrophobicContact CG1-CG1 3.62Å; F73-V108 HydrophobicContact CD2-CG1 4.3Å; F73-V108 HydrophobicContact CE2-CG1 4.06Å; F73-V108 HydrophobicContact CZ-CG1 4.23Å; R76-V108 HydrophobicContact CG-CG1 4.24Å; R76-V108 VanDerWaalsContact CZ-O 3.31Å; R76-V108 PolarHBondContact NE-O 3.22Å; R76-V108 PolarHBondContact NH2-O 2.81Å; W80-V108 HydrophobicContact CH2-CG2 3.62Å; W80-V108 HydrophobicContact CZ2-CG2 4.32Å; L104-V108 WeakPolarHBondContact O-CG2 3.49Å; L104-V108 PolarHBondContact O-N 3.44Å; L105-V108 WeakPolarHBondContact O-CB 3.38Å; L105-V108 PolarHBondContact O-N 2.85Å; K106-V108 VanDerWaalsContact C-N 3.33Å; K106-V108 PolarHBondContact O-N 2.91Å
109Y93Very high92.6Very high102 Ų10253.6 Ų53.640%0.427%0.273SS..Hα-helixtrans-92.4-32.2-180-81.3-86.8000114.7R69 V72 F73 L105 K106 W107R69-Y109 PolarHBondContact N-OH 3.09Å; V72-Y109 HydrophobicContact CB-CE1 4.21Å; V72-Y109 HydrophobicContact CG1-CD1 4.12Å; V72-Y109 HydrophobicContact CG1-CD2 4.5Å; V72-Y109 HydrophobicContact CG1-CE1 4.03Å; V72-Y109 HydrophobicContact CG1-CE2 4.39Å; V72-Y109 HydrophobicContact CG1-CG 4.37Å; V72-Y109 HydrophobicContact CG2-CD1 4.36Å; V72-Y109 HydrophobicContact CG2-CE1 3.71Å; F73-Y109 HydrophobicContact CE2-CE2 4.36Å; L105-Y109 HydrophobicContact CD1-CD2 4.25Å; L105-Y109 HydrophobicContact CD1-CE2 3.99Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 3.17Å; K106-Y109 PolarHBondContact O-N 2.8Å; W107-Y109 PolarHBondContact O-N 3.26Å; W107-Y109 VanDerWaalsContact O-N 3.14Å
110T93Very high92.6Very high63 Ų6355.8 Ų55.839%0.38728%0.276SS..Hα-helixtrans-109.3-16.6-170.964.30000114.4K106 W107 E112K106-T110 HydrophobicContact CG-CG2 4.27Å; K106-T110 PolarHBondContact O-N 2.91Å; K106-T110 PolarHBondContact O-OG1 2.97Å; W107-T110 PolarHBondContact O-N 3.35Å; T110-E112 PolarHBondContact O-N 3.45Å; T110-E112 PolarHBondContact OG1-N 2.85Å; T110-E112 VanDerWaalsContact OG1-N 3.17Å
111D91.9Very high92.6Very high84 Ų8456.2 Ų56.245%0.44928%0.278SS..SBendtrans61.211.8-166.7-153.237.5000114.8R76 W107R76-D111 IonicContact CZ-OD1 3.89Å; R76-D111 IonicContact NH1-OD1 3.11Å; R76-D111 PolarHBondContact NH1-OD1 3.17Å; R76-D111 IonicContact NH2-OD1 3.83Å; W107-D111 WeakPolarHBondContact CZ2-OD1 3.41Å; W107-D111 PolarHBondContact NE1-O 3.11Å; W107-D111 PolarHBondContact NE1-OD1 3Å; W107-D111 WeakPolarHBondContact O-CA 3.38Å; W107-D111 PolarHBondContact O-N 3.38Å
112E91.6Very high92.6Very high117 Ų11756.4 Ų56.455%0.54728%0.279SS..  trans-112.1142.7-176.5-65.7-179.1166.600111.4T110T110-E112 PolarHBondContact O-N 3.45Å; T110-E112 PolarHBondContact OG1-N 2.85Å; T110-E112 VanDerWaalsContact OG1-N 3.17Å
113V93.1Very high92.6Very high5 Ų553.2 Ų53.23%0.0327%0.265CS..  trans-120.8130.9169.6-179.10000106.7T103 W107 V115 L117 L125 L137 R140 L144T103-V113 HydrophobicContact CG2-CG1 4.27Å; W107-V113 HydrophobicContact CB-CG2 4.38Å; W107-V113 HydrophobicContact CG-CG2 4.21Å; V113-V115 PolarHBondContact O-N 3.12Å; V113-L117 HydrophobicContact CG1-CD2 4.36Å; V113-L125 HydrophobicContact CG1-CD2 4.04Å; V113-L125 HydrophobicContact CG2-CD2 4.23Å; V113-L137 HydrophobicContact CG2-CD1 3.59Å; V113-R140 HydrophobicContact CB-CG 4.44Å; V113-R140 HydrophobicContact CG2-CG 4.15Å; V113-L144 HydrophobicContact CB-CD1 3.91Å; V113-L144 HydrophobicContact CG1-CD1 3.69Å
114D90.1Very high92.6Very high66 Ų6655.5 Ų55.535%0.35328%0.277SS..  trans-66.8129.2-177.1-61.3-48.1000110.6K106 K116 L117K106-D114 IonicContact NZ-OD1 2.71Å; K106-D114 PolarHBondContact NZ-OD1 3.25Å; K106-D114 IonicContact NZ-OD2 2.72Å; K106-D114 PolarHBondContact NZ-OD2 3.26Å; D114-K116 PolarHBondContact O-N 3.12Å; D114-K116 VanDerWaalsContact O-N 3.17Å; D114-L117 HydrophobicContact CB-CD1 3.85Å; D114-L117 WeakPolarHBondContact O-CB 3.46Å; D114-L117 PolarHBondContact O-N 3.12Å
115V85.6Confident92.6Very high101 Ų10155.5 Ų55.561%0.61228%0.277SS*.THydrogen-bonded Turntrans-65.5-20.3-179.2-173.50000112.1V113 L117 L144V113-V115 PolarHBondContact O-N 3.12Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L144 HydrophobicContact CB-CD2 4.44Å; V115-L144 HydrophobicContact CG1-CD2 4.28Å; V115-L144 HydrophobicContact CG2-CD2 4.11Å
116K86.5Confident92.7Very high206 Ų20654.8 Ų54.890%0.89627%0.273SS*.THydrogen-bonded Turntrans-87.93.5-179.2-61.2-175.2-179.6179.90113.7D114D114-K116 PolarHBondContact O-N 3.12Å; D114-K116 VanDerWaalsContact O-N 3.17Å
117L87.4Confident92.7Very high32 Ų3255.6 Ų55.617%0.16828%0.278CS..  trans-62.8140.3174.8-113.770.5000110T103 V113 D114 V115 V121 I122T103-L117 HydrophobicContact CG2-CD1 4.49Å; T103-L117 HydrophobicContact CG2-CD2 3.64Å; V113-L117 HydrophobicContact CG1-CD2 4.36Å; D114-L117 HydrophobicContact CB-CD1 3.85Å; D114-L117 WeakPolarHBondContact O-CB 3.46Å; D114-L117 PolarHBondContact O-N 3.12Å; V115-L117 VanDerWaalsContact C-N 3.32Å; L117-V121 HydrophobicContact CD2-CB 3.71Å; L117-V121 HydrophobicContact CD2-CG1 3.35Å; L117-V121 HydrophobicContact CG-CB 3.95Å; L117-V121 HydrophobicContact CG-CG1 3.93Å; L117-V121 HydrophobicContact CG-CG2 4.42Å; L117-I122 HydrophobicContact CB-CD1 4.12Å; L117-I122 HydrophobicContact CB-CG1 3.8Å; L117-I122 HydrophobicContact CD2-CG1 4.25Å
118G90.6Very high92.7Very high33 Ų3355.5 Ų55.534%0.3428%0.278SS..  trans-66.6148.3172.400000111.3W120 V121 I122G118-W120 PolarHBondContact O-N 3.29Å; G118-V121 PolarHBondContact O-N 3.38Å; G118-I122 PolarHBondContact O-N 2.9Å
119D92.4Very high92.8Very high49 Ų4955.4 Ų55.426%0.26228%0.277SS..Hα-helixtrans-46.5-40.1178.2-71.9-8.2000112.3V121 I122 L123 T148 N153 F157D119-V121 PolarHBondContact O-N 3.34Å; D119-I122 PolarHBondContact O-N 3.23Å; D119-L123 WeakPolarHBondContact O-CG 3.24Å; D119-L123 PolarHBondContact O-N 2.96Å; D119-T148 PolarHBondContact OD1-OG1 3.45Å; D119-N153 PolarHBondContact OD2-ND2 3.23Å; D119-F157 HydrophobicContact CB-CE1 3.97Å; D119-F157 HydrophobicContact CB-CZ 4.18Å; D119-F157 VanDerWaalsContact CG-CZ 3.49Å; D119-F157 WeakPolarHBondContact OD2-CZ 3.21Å
120W92.5Very high92.9Very high130 Ų13055 Ų5549%0.49228%0.278SS..Hα-helixtrans-61.9-44179.774.2-90.9000113.2D99 G118 I122 L123 D124D99-W120 HydrophobicContact CB-CH2 4.29Å; G118-W120 PolarHBondContact O-N 3.29Å; W120-I122 VanDerWaalsContact C-N 3.31Å; W120-I122 PolarHBondContact O-N 3.17Å; W120-L123 PolarHBondContact O-N 2.65Å; W120-D124 PolarHBondContact O-N 2.73Å
121V94.8Very high92.9Very high9 Ų956.9 Ų56.96%0.05528%0.278CS..Hα-helixtrans-66.3-39.8179.1-169.30000109.8L117 G118 D119 D124 L125L117-V121 HydrophobicContact CD2-CB 3.71Å; L117-V121 HydrophobicContact CD2-CG1 3.35Å; L117-V121 HydrophobicContact CG-CB 3.95Å; L117-V121 HydrophobicContact CG-CG1 3.93Å; L117-V121 HydrophobicContact CG-CG2 4.42Å; G118-V121 PolarHBondContact O-N 3.38Å; D119-V121 PolarHBondContact O-N 3.34Å; V121-D124 PolarHBondContact O-N 3.34Å; V121-L125 WeakPolarHBondContact O-CB 3.13Å; V121-L125 PolarHBondContact O-N 2.95Å
122I95.8Very high93Very high3 Ų352.9 Ų52.92%0.01526%0.256CS..Hα-helixtrans-65.3-42.3179.4-57.7176.8000110.2L117 G118 D119 W120 L125 M126 C141 L144 L145L117-I122 HydrophobicContact CB-CD1 4.12Å; L117-I122 HydrophobicContact CB-CG1 3.8Å; L117-I122 HydrophobicContact CD2-CG1 4.25Å; G118-I122 PolarHBondContact O-N 2.9Å; D119-I122 PolarHBondContact O-N 3.23Å; W120-I122 VanDerWaalsContact C-N 3.31Å; W120-I122 PolarHBondContact O-N 3.17Å; I122-L125 WeakPolarHBondContact O-CB 3.49Å; I122-L125 PolarHBondContact O-N 3.31Å; I122-M126 VanDerWaalsContact O-CG 3.3Å; I122-M126 WeakPolarHBondContact O-CG 3.36Å; I122-M126 PolarHBondContact O-N 3.42Å; I122-C141 HydrophobicContact CG2-CB 3.75Å; I122-L144 HydrophobicContact CD1-CB 4.2Å; I122-L144 HydrophobicContact CD1-CD1 4.47Å; I122-L145 HydrophobicContact CB-CD2 3.87Å; I122-L145 HydrophobicContact CB-CG 4.44Å; I122-L145 HydrophobicContact CD1-CD2 4.15Å; I122-L145 HydrophobicContact CG2-CD1 4.06Å; I122-L145 HydrophobicContact CG2-CD2 3.65Å; I122-L145 HydrophobicContact CG2-CG 3.67Å
123L95.5Very high93.1Very high21 Ų2153.2 Ų53.211%0.1126%0.256CS..Hα-helixtrans-63.2-47.8176.6-66.1168000111.4D119 W120 L125 M126 H127 L145 K156 F157 C160D119-L123 WeakPolarHBondContact O-CG 3.24Å; D119-L123 PolarHBondContact O-N 2.96Å; W120-L123 PolarHBondContact O-N 2.65Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.24Å; L123-M126 WeakPolarHBondContact O-CB 3.42Å; L123-M126 PolarHBondContact O-N 2.93Å; L123-M126 VanDerWaalsContact O-N 3.1Å; L123-H127 PolarHBondContact O-CD2 2.88Å; L123-H127 PolarHBondContact O-N 3.23Å; L123-L145 HydrophobicContact CD2-CD1 3.65Å; L123-L145 HydrophobicContact CG-CD1 4.4Å; L123-K156 HydrophobicContact CD1-CB 4.48Å; L123-F157 HydrophobicContact CD1-CD1 4.4Å; L123-F157 HydrophobicContact CD1-CE1 4.41Å; L123-F157 HydrophobicContact CD2-CD1 4.15Å; L123-C160 HydrophobicContact CD2-CB 3.53Å; L123-C160 WeakPolarHBondContact CD2-SG 3.13Å
124D95Very high93.1Very high58 Ų5853.1 Ų53.131%0.3126%0.255SS..Hα-helixtrans-60.6-39.5175.7-73.1-13.1000111.6T100 W120 V121 M126 H127 A128T100-D124 HydrophobicContact CG2-CB 3.77Å; W120-D124 PolarHBondContact O-N 2.73Å; V121-D124 PolarHBondContact O-N 3.34Å; D124-M126 VanDerWaalsContact C-N 3.32Å; D124-M126 PolarHBondContact O-N 3.46Å; D124-H127 PolarHBondContact O-N 2.85Å; D124-A128 PolarHBondContact O-N 3.16Å
125L96.7Very high93.2Very high0 Ų055.9 Ų55.90%027%0.266CS..Hα-helixtrans-63.6-37.5175.8-175.762.7000111.5T100 T103 L104 V113 V121 I122 L123 A128 A129 L137T100-L125 HydrophobicContact CG2-CB 4.15Å; T100-L125 HydrophobicContact CG2-CD1 4.44Å; T103-L125 HydrophobicContact CG2-CD2 3.74Å; L104-L125 HydrophobicContact CB-CD1 3.7Å; L104-L125 HydrophobicContact CD1-CD1 4.11Å; L104-L125 HydrophobicContact CG-CD1 4.48Å; V113-L125 HydrophobicContact CG1-CD2 4.04Å; V113-L125 HydrophobicContact CG2-CD2 4.23Å; V121-L125 WeakPolarHBondContact O-CB 3.13Å; V121-L125 PolarHBondContact O-N 2.95Å; I122-L125 WeakPolarHBondContact O-CB 3.49Å; I122-L125 PolarHBondContact O-N 3.31Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.24Å; L125-A128 PolarHBondContact O-N 2.77Å; L125-A129 VanDerWaalsContact O-CB 3.24Å; L125-A129 WeakPolarHBondContact O-CB 3.5Å; L125-A129 PolarHBondContact O-N 3.2Å; L125-L137 HydrophobicContact CD1-CD2 3.95Å; L125-L137 HydrophobicContact CD2-CD1 4.04Å; L125-L137 HydrophobicContact CG-CD1 4.27Å; L125-L137 HydrophobicContact CG-CD2 4.14Å; L125-L137 HydrophobicContact CG-CG 4.42Å
126M96.5Very high93.6Very high0 Ų056.5 Ų56.50%026%0.262CS..Hα-helixtrans-66.6-39.8174.7-70.2-177.774.900112.1I122 L123 D124 A129 K130 I138 C141 E142 L145 L164 A166 L169I122-M126 VanDerWaalsContact O-CG 3.3Å; I122-M126 WeakPolarHBondContact O-CG 3.36Å; I122-M126 PolarHBondContact O-N 3.42Å; L123-M126 WeakPolarHBondContact O-CB 3.42Å; L123-M126 PolarHBondContact O-N 2.93Å; L123-M126 VanDerWaalsContact O-N 3.1Å; D124-M126 VanDerWaalsContact C-N 3.32Å; D124-M126 PolarHBondContact O-N 3.46Å; M126-A129 PolarHBondContact O-N 2.84Å; M126-K130 PolarHBondContact O-N 3.17Å; M126-I138 HydrophobicContact CE-CG2 3.99Å; M126-C141 HydrophobicContact CE-CB 4.44Å; M126-C141 HydrophobicContact CG-CB 3.22Å; M126-C141 HydrophobicContact SD-CB 3.67Å; M126-E142 HydrophobicContact CE-CG 3.79Å; M126-L145 HydrophobicContact SD-CD1 3.5Å; M126-L145 VanDerWaalsContact SD-CD1 3.5Å; M126-L164 HydrophobicContact CB-CD1 3.35Å; M126-L164 HydrophobicContact CE-CD1 4.06Å; M126-L164 HydrophobicContact CG-CD1 4.45Å; M126-A166 HydrophobicContact CE-CB 3.93Å; M126-L169 HydrophobicContact CE-CD2 4.25Å; M126-L169 HydrophobicContact SD-CD2 4.43Å
127H95.6Very high94Very high83 Ų8346.7 Ų46.738%0.38422%0.219SC..Hα-helixtrans-62.7-43.4172.9-74.7-73.6000111.7L123 D124 K130 R131 L164L123-H127 PolarHBondContact O-CD2 2.88Å; L123-H127 PolarHBondContact O-N 3.23Å; D124-H127 PolarHBondContact O-N 2.85Å; H127-K130 PolarHBondContact O-N 3.32Å; H127-R131 PolarHBondContact O-N 2.73Å; H127-L164 WeakPolarHBondContact ND1-CD2 3.2Å
128A95.5Very high94.4Very high2 Ų246 Ų462%0.01722%0.215CC..Hα-helixtrans-61.3-44.9173.600000111.7L96 L104 D124 L125 K130 R131 F132L96-A128 HydrophobicContact CD1-CB 3.91Å; L96-A128 HydrophobicContact CD2-CB 3.66Å; L96-A128 HydrophobicContact CG-CB 4.48Å; L104-A128 HydrophobicContact CD2-CB 4.4Å; D124-A128 PolarHBondContact O-N 3.16Å; L125-A128 PolarHBondContact O-N 2.77Å; A128-K130 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 2.88Å; A128-R131 WeakPolarHBondContact O-CB 3.36Å; A128-R131 PolarHBondContact O-N 3.1Å; A128-F132 HydrophobicContact CB-CE2 4.5Å; A128-F132 WeakPolarHBondContact O-CD2 3.3Å; A128-F132 PolarHBondContact O-N 3.43Å
129A95.4Very high94.6Very high0 Ų048.4 Ų48.40%022%0.218CC..Hα-helixtrans-60.7-40.7178.300000111.5L125 M126 F132 K133 L134 L137 I138L125-A129 VanDerWaalsContact O-CB 3.24Å; L125-A129 WeakPolarHBondContact O-CB 3.5Å; L125-A129 PolarHBondContact O-N 3.2Å; M126-A129 PolarHBondContact O-N 2.84Å; A129-F132 CarbonylContact O-C 3.56Å; A129-F132 PolarHBondContact O-N 2.98Å; A129-K133 CarbonylContact O-C 3.47Å; A129-K133 WeakPolarHBondContact O-CA 3.5Å; A129-K133 PolarHBondContact O-N 3.38Å; A129-L134 HydrophobicContact CB-CB 4.14Å; A129-L134 PolarHBondContact O-N 2.91Å; A129-L137 HydrophobicContact CB-CB 4.03Å; A129-L137 HydrophobicContact CB-CD2 3.7Å; A129-L137 HydrophobicContact CB-CG 3.78Å; A129-I138 HydrophobicContact CB-CD1 4.46Å; A129-I138 HydrophobicContact CB-CG1 3.66Å
130K94.8Very high94.7Very high93 Ų9350 Ų5040%0.40422%0.22SC..Hα-helixtrans-63.5-45.7174.5-174.471.3173.4-160.30111.9M126 H127 A128 F132 K133 I138 L164M126-K130 PolarHBondContact O-N 3.17Å; H127-K130 PolarHBondContact O-N 3.32Å; A128-K130 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 2.88Å; K130-F132 VanDerWaalsContact C-N 3.27Å; K130-F132 PolarHBondContact O-N 3.37Å; K130-K133 PolarHBondContact O-N 2.93Å; K130-K133 VanDerWaalsContact O-N 3.09Å; K130-I138 HydrophobicContact CB-CD1 4.25Å; K130-I138 HydrophobicContact CD-CD1 4.16Å; K130-L164 HydrophobicContact CB-CD2 3.75Å; K130-L164 HydrophobicContact CG-CD2 3.96Å; K130-L164 PolarHBondContact NZ-O 3.31Å
131R93.7Very high94.9Very high102 Ų10243.9 Ų43.939%0.38520%0.197SC..Hα-helixtrans-56.4-42176.2-177178-178.1-166.3-3111.7N81 E94 H127 A128N81-R131 PolarHBondContact ND2-NE 2.75Å; N81-R131 PolarHBondContact ND2-NH2 3.14Å; N81-R131 WeakPolarHBondContact OD1-CG 3.43Å; N81-R131 PolarHBondContact OD1-NE 3.39Å; E94-R131 PolarHBondContact O-NH1 2.99Å; H127-R131 PolarHBondContact O-N 2.73Å; A128-R131 WeakPolarHBondContact O-CB 3.36Å; A128-R131 PolarHBondContact O-N 3.1Å
132F94.3Very high94.9Very high0 Ų044.1 Ų44.10%020%0.198CC..THydrogen-bonded Turntrans-90.56.2179-59-51.4000114.6S77 C79 W80 N81 F93 L96 L104 A128 A129 K130 L134S77-F132 WeakPolarHBondContact CB-O 3.3Å; S77-F132 PolarHBondContact OG-O 3.31Å; C79-F132 CarbonylContact O-C 3.59Å; C79-F132 VanDerWaalsContact O-CA 3.29Å; C79-F132 WeakPolarHBondContact O-CA 3.11Å; W80-F132 HydrophobicContact CE3-CB 4.37Å; W80-F132 AromaticContact CE3-CD1 3.81Å; W80-F132 HydrophobicContact CE3-CD1 3.81Å; W80-F132 HydrophobicContact CE3-CD2 4.27Å; W80-F132 HydrophobicContact CE3-CE1 4.03Å; W80-F132 AromaticContact CE3-CG 3.91Å; W80-F132 HydrophobicContact CE3-CG 3.91Å; W80-F132 HydrophobicContact CE3-CZ 4.41Å; W80-F132 HydrophobicContact CZ3-CB 4.36Å; W80-F132 HydrophobicContact CZ3-CD1 4.38Å; W80-F132 HydrophobicContact CZ3-CD2 4.04Å; W80-F132 HydrophobicContact CZ3-CE2 4.41Å; W80-F132 HydrophobicContact CZ3-CG 4.03Å; N81-F132 WeakPolarHBondContact ND2-CE1 3.47Å; F93-F132 HydrophobicContact CD1-CE2 4.38Å; F93-F132 AromaticContact CD1-CZ 3.93Å; F93-F132 HydrophobicContact CD1-CZ 3.93Å; F93-F132 HydrophobicContact CE1-CE2 4.26Å; F93-F132 HydrophobicContact CE1-CZ 4.01Å; L96-F132 HydrophobicContact CD1-CE2 4.04Å; L104-F132 HydrophobicContact CD2-CD2 3.68Å; L104-F132 HydrophobicContact CD2-CE2 3.46Å; L104-F132 VanDerWaalsContact CD2-CE2 3.46Å; A128-F132 HydrophobicContact CB-CE2 4.5Å; A128-F132 WeakPolarHBondContact O-CD2 3.3Å; A128-F132 PolarHBondContact O-N 3.43Å; A129-F132 CarbonylContact O-C 3.56Å; A129-F132 PolarHBondContact O-N 2.98Å; K130-F132 VanDerWaalsContact C-N 3.27Å; K130-F132 PolarHBondContact O-N 3.37Å; F132-L134 HydrophobicContact CB-CD1 3.85Å; F132-L134 HydrophobicContact CB-CG 3.85Å; F132-L134 PolarHBondContact O-N 3.39Å
133K92.8Very high94.8Very high124 Ų12450 Ų5054%0.53922%0.22SC..THydrogen-bonded Turntrans53.535.8-177.8-54.7-171.7-172.2168.90114.5C79 A129 K130 H135C79-K133 HydrophobicContact CB-CB 4.35Å; C79-K133 HydrophobicContact CB-CD 4.12Å; C79-K133 HydrophobicContact CB-CG 4.12Å; A129-K133 CarbonylContact O-C 3.47Å; A129-K133 WeakPolarHBondContact O-CA 3.5Å; A129-K133 PolarHBondContact O-N 3.38Å; K130-K133 PolarHBondContact O-N 2.93Å; K130-K133 VanDerWaalsContact O-N 3.09Å; K133-H135 PolarHBondContact O-CE1 3.04Å; K133-H135 PolarHBondContact O-N 3.35Å; K133-H135 PolarHBondContact O-ND1 3.19Å
134L94.2Very high94.8Very high3 Ų349.7 Ų49.72%0.01622%0.218CC..  trans-86.577.5179.6-61.8172.1000111.1R76 W80 L104 W107 A129 F132 Q136 L137 I138R76-L134 HydrophobicContact CB-CD2 4.34Å; R76-L134 WeakPolarHBondContact O-CD2 3.43Å; W80-L134 HydrophobicContact CH2-CD1 4.06Å; W80-L134 HydrophobicContact CH2-CD2 4.48Å; W80-L134 HydrophobicContact CZ2-CD2 4.41Å; W80-L134 HydrophobicContact CZ3-CD1 4.5Å; L104-L134 HydrophobicContact CD1-CD1 3.66Å; W107-L134 HydrophobicContact CE3-CD1 4.4Å; W107-L134 HydrophobicContact CH2-CB 4.33Å; W107-L134 HydrophobicContact CH2-CD2 4.18Å; W107-L134 HydrophobicContact CZ3-CB 4.31Å; W107-L134 HydrophobicContact CZ3-CD1 3.84Å; W107-L134 HydrophobicContact CZ3-CD2 3.87Å; W107-L134 HydrophobicContact CZ3-CG 4.23Å; A129-L134 HydrophobicContact CB-CB 4.14Å; A129-L134 PolarHBondContact O-N 2.91Å; F132-L134 HydrophobicContact CB-CD1 3.85Å; F132-L134 HydrophobicContact CB-CG 3.85Å; F132-L134 PolarHBondContact O-N 3.39Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.79Å; L134-L137 HydrophobicContact CB-CB 3.92Å; L134-L137 HydrophobicContact CB-CD2 4.47Å; L134-L137 HydrophobicContact CD1-CD2 4.09Å; L134-L137 WeakPolarHBondContact O-CB 3.45Å; L134-L137 PolarHBondContact O-N 2.83Å; L134-L137 VanDerWaalsContact O-N 3.16Å; L134-I138 PolarHBondContact O-N 3.34Å; L134-I138 VanDerWaalsContact O-N 3.12Å
135H92.7Very high94.8Very high124 Ų12446.9 Ų46.957%0.57420%0.203SC*.Hα-helixtrans-60.8-39.4-175.1-61.481.7000113.4K133 L137 I138 Q139K133-H135 PolarHBondContact O-CE1 3.04Å; K133-H135 PolarHBondContact O-N 3.35Å; K133-H135 PolarHBondContact O-ND1 3.19Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-L137 PolarHBondContact O-N 3.05Å; H135-I138 PolarHBondContact O-N 3.32Å; H135-Q139 WeakPolarHBondContact O-CG 3.41Å; H135-Q139 PolarHBondContact O-N 3.06Å
136Q92.9Very high94.7Very high115 Ų11549.2 Ų49.254%0.53722%0.215SC..Hα-helixtrans-62.2-38.4177.5-67.8-62.2-31.500112W107 L134 R140W107-Q136 HydrophobicContact CH2-CB 4.49Å; W107-Q136 HydrophobicContact CZ2-CB 4.02Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.79Å; Q136-R140 WeakPolarHBondContact O-CB 3.47Å; Q136-R140 PolarHBondContact O-N 2.73Å
137L95.4Very high94.6Very high0 Ų053.3 Ų53.30%024%0.244CC..Hα-helixtrans-67.2-44.1176.4-179.852.7000111.1L104 W107 V113 L125 A129 L134 H135 Q139 R140 C141L104-L137 HydrophobicContact CD1-CD2 3.49Å; L104-L137 VanDerWaalsContact CD1-CD2 3.49Å; W107-L137 HydrophobicContact CB-CD1 4.44Å; W107-L137 HydrophobicContact CD2-CB 4.05Å; W107-L137 HydrophobicContact CD2-CD1 3.8Å; W107-L137 HydrophobicContact CD2-CD2 4Å; W107-L137 HydrophobicContact CD2-CG 4.17Å; W107-L137 HydrophobicContact CE3-CB 4.21Å; W107-L137 HydrophobicContact CE3-CD2 3.86Å; W107-L137 HydrophobicContact CE3-CG 4.43Å; W107-L137 HydrophobicContact CG-CD1 3.72Å; W107-L137 HydrophobicContact CG-CD2 4.44Å; W107-L137 HydrophobicContact CH2-CB 3.86Å; W107-L137 HydrophobicContact CZ2-CB 3.67Å; W107-L137 HydrophobicContact CZ3-CB 4.14Å; W107-L137 HydrophobicContact CZ3-CD2 4.32Å; V113-L137 HydrophobicContact CG2-CD1 3.59Å; L125-L137 HydrophobicContact CD1-CD2 3.95Å; L125-L137 HydrophobicContact CD2-CD1 4.04Å; L125-L137 HydrophobicContact CG-CD1 4.27Å; L125-L137 HydrophobicContact CG-CD2 4.14Å; L125-L137 HydrophobicContact CG-CG 4.42Å; A129-L137 HydrophobicContact CB-CB 4.03Å; A129-L137 HydrophobicContact CB-CD2 3.7Å; A129-L137 HydrophobicContact CB-CG 3.78Å; L134-L137 HydrophobicContact CB-CB 3.92Å; L134-L137 HydrophobicContact CB-CD2 4.47Å; L134-L137 HydrophobicContact CD1-CD2 4.09Å; L134-L137 WeakPolarHBondContact O-CB 3.45Å; L134-L137 PolarHBondContact O-N 2.83Å; L134-L137 VanDerWaalsContact O-N 3.16Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-L137 PolarHBondContact O-N 3.05Å; L137-Q139 PolarHBondContact O-N 3.26Å; L137-R140 WeakPolarHBondContact O-CB 3.42Å; L137-R140 PolarHBondContact O-N 3.1Å; L137-R140 VanDerWaalsContact O-N 3.17Å; L137-C141 PolarHBondContact O-N 3.46Å; L137-C141 PolarHBondContact O-SG 2.88Å
138I95.3Very high94.5Very high16 Ų1651.8 Ų51.88%0.08224%0.24CC..Hα-helixtrans-55.9-52.4175-64.4173.2000110M126 A129 K130 L134 H135 R140 C141 E142 A166M126-I138 HydrophobicContact CE-CG2 3.99Å; A129-I138 HydrophobicContact CB-CD1 4.46Å; A129-I138 HydrophobicContact CB-CG1 3.66Å; K130-I138 HydrophobicContact CB-CD1 4.25Å; K130-I138 HydrophobicContact CD-CD1 4.16Å; L134-I138 PolarHBondContact O-N 3.34Å; L134-I138 VanDerWaalsContact O-N 3.12Å; H135-I138 PolarHBondContact O-N 3.32Å; I138-R140 VanDerWaalsContact C-N 3.25Å; I138-R140 PolarHBondContact O-N 3.37Å; I138-C141 PolarHBondContact O-N 2.93Å; I138-C141 VanDerWaalsContact O-N 3.12Å; I138-E142 HydrophobicContact CG2-CG 4.37Å; I138-E142 WeakPolarHBondContact O-CG 3.42Å; I138-E142 PolarHBondContact O-N 3.13Å; I138-A166 HydrophobicContact CG2-CB 4.45Å
139Q94.7Very high94.5Very high84 Ų8453.2 Ų53.239%0.39325%0.248SC..Hα-helixtrans-59.1-36.3179.1-70.6177.8-12.500112.8H135 L137 E142 R143H135-Q139 WeakPolarHBondContact O-CG 3.41Å; H135-Q139 PolarHBondContact O-N 3.06Å; L137-Q139 PolarHBondContact O-N 3.26Å; Q139-E142 WeakPolarHBondContact CA-OE2 3.5Å; Q139-R143 WeakPolarHBondContact O-CG 3.39Å; Q139-R143 PolarHBondContact O-N 2.85Å; Q139-R143 PolarHBondContact O-NH1 3.42Å
140R94.8Very high94.4Very high84 Ų8456 Ų5632%0.31726%0.262SS..Hα-helixtrans-67.2-46.4176.2-176.161.2172.7169.1-2.9111.2V113 Q136 L137 I138 R143 L144V113-R140 HydrophobicContact CB-CG 4.44Å; V113-R140 HydrophobicContact CG2-CG 4.15Å; Q136-R140 WeakPolarHBondContact O-CB 3.47Å; Q136-R140 PolarHBondContact O-N 2.73Å; L137-R140 WeakPolarHBondContact O-CB 3.42Å; L137-R140 PolarHBondContact O-N 3.1Å; L137-R140 VanDerWaalsContact O-N 3.17Å; I138-R140 VanDerWaalsContact C-N 3.25Å; I138-R140 PolarHBondContact O-N 3.37Å; R140-R143 PolarHBondContact O-N 3.39Å; R140-L144 PolarHBondContact O-N 2.91Å
141C95.8Very high94.3Very high0 Ų055.5 Ų55.50%027%0.267CS..Hα-helixtrans-62.8-40.1176.2-67.90000112I122 M126 L137 I138 R143 L144 L145I122-C141 HydrophobicContact CG2-CB 3.75Å; M126-C141 HydrophobicContact CE-CB 4.44Å; M126-C141 HydrophobicContact CG-CB 3.22Å; M126-C141 HydrophobicContact SD-CB 3.67Å; L137-C141 PolarHBondContact O-N 3.46Å; L137-C141 PolarHBondContact O-SG 2.88Å; I138-C141 PolarHBondContact O-N 2.93Å; I138-C141 VanDerWaalsContact O-N 3.12Å; C141-R143 VanDerWaalsContact C-N 3.32Å; C141-R143 PolarHBondContact O-N 3.32Å; C141-L144 PolarHBondContact O-N 3.38Å; C141-L144 VanDerWaalsContact O-N 3.13Å; C141-L145 WeakPolarHBondContact O-CG 3.37Å; C141-L145 PolarHBondContact O-N 3.18Å
142E95.2Very high94.3Very high15 Ų1557.3 Ų57.37%0.0728%0.284CS..Hα-helixtrans-54.8-48.4174.8-72.9-177.391.600111.3M126 I138 Q139 L144 L145 I146 A166 K168 L169M126-E142 HydrophobicContact CE-CG 3.79Å; I138-E142 HydrophobicContact CG2-CG 4.37Å; I138-E142 WeakPolarHBondContact O-CG 3.42Å; I138-E142 PolarHBondContact O-N 3.13Å; Q139-E142 WeakPolarHBondContact CA-OE2 3.5Å; E142-L144 VanDerWaalsContact C-N 3.31Å; E142-L144 PolarHBondContact O-N 3.37Å; E142-L145 PolarHBondContact O-N 3.32Å; E142-I146 WeakPolarHBondContact O-CB 3.47Å; E142-I146 WeakPolarHBondContact O-CD1 3.46Å; E142-I146 WeakPolarHBondContact O-CG1 3.45Å; E142-I146 PolarHBondContact O-N 2.93Å; E142-A166 HydrophobicContact CG-CB 3.92Å; E142-A166 VanDerWaalsContact OE1-C 3.25Å; E142-K168 WeakPolarHBondContact OE1-CA 3.19Å; E142-K168 WeakPolarHBondContact OE1-CB 3.32Å; E142-K168 PolarHBondContact OE1-N 2.83Å; E142-L169 HydrophobicContact CB-CB 4.31Å; E142-L169 HydrophobicContact CG-CB 3.95Å; E142-L169 PolarHBondContact OE1-N 2.97Å
143R94.7Very high94.3Very high126 Ų12657.7 Ų57.748%0.47529%0.286SS..Hα-helixtrans-61.4-38.7178.6-69.9-173.5-65.5-90.17.8112.6Q139 R140 C141 S147Q139-R143 WeakPolarHBondContact O-CG 3.39Å; Q139-R143 PolarHBondContact O-N 2.85Å; Q139-R143 PolarHBondContact O-NH1 3.42Å; R140-R143 PolarHBondContact O-N 3.39Å; C141-R143 VanDerWaalsContact C-N 3.32Å; C141-R143 PolarHBondContact O-N 3.32Å; R143-S147 PolarHBondContact O-N 3.47Å
144L94.7Very high94.4Very high14 Ų1453.5 Ų53.57%0.07327%0.268CS..Hα-helixtrans-66-49.1177.4-67.3175.1000111V113 V115 I122 R140 C141 E142 I146 S147 T148V113-L144 HydrophobicContact CB-CD1 3.91Å; V113-L144 HydrophobicContact CG1-CD1 3.69Å; V115-L144 HydrophobicContact CB-CD2 4.44Å; V115-L144 HydrophobicContact CG1-CD2 4.28Å; V115-L144 HydrophobicContact CG2-CD2 4.11Å; I122-L144 HydrophobicContact CD1-CB 4.2Å; I122-L144 HydrophobicContact CD1-CD1 4.47Å; R140-L144 PolarHBondContact O-N 2.91Å; C141-L144 PolarHBondContact O-N 3.38Å; C141-L144 VanDerWaalsContact O-N 3.13Å; E142-L144 VanDerWaalsContact C-N 3.31Å; E142-L144 PolarHBondContact O-N 3.37Å; L144-I146 VanDerWaalsContact C-N 3.35Å; L144-I146 PolarHBondContact O-N 3.36Å; L144-S147 WeakPolarHBondContact O-CB 3.15Å; L144-S147 PolarHBondContact O-N 3.25Å; L144-S147 VanDerWaalsContact O-N 3.13Å; L144-S147 PolarHBondContact O-OG 3.34Å; L144-T148 PolarHBondContact O-N 3.34Å
145L95.6Very high94.4Very high0 Ų057.8 Ų57.80%029%0.294CS..Hα-helixtrans-65.6-36.9179.4-65.6-178.5000112.5I122 L123 M126 C141 E142 S147 T148 L149 F157 L169I122-L145 HydrophobicContact CB-CD2 3.87Å; I122-L145 HydrophobicContact CB-CG 4.44Å; I122-L145 HydrophobicContact CD1-CD2 4.15Å; I122-L145 HydrophobicContact CG2-CD1 4.06Å; I122-L145 HydrophobicContact CG2-CD2 3.65Å; I122-L145 HydrophobicContact CG2-CG 3.67Å; L123-L145 HydrophobicContact CD2-CD1 3.65Å; L123-L145 HydrophobicContact CG-CD1 4.4Å; M126-L145 HydrophobicContact SD-CD1 3.5Å; M126-L145 VanDerWaalsContact SD-CD1 3.5Å; C141-L145 WeakPolarHBondContact O-CG 3.37Å; C141-L145 PolarHBondContact O-N 3.18Å; E142-L145 PolarHBondContact O-N 3.32Å; L145-S147 PolarHBondContact O-N 3.12Å; L145-T148 CarbonylContact O-C 3.41Å; L145-T148 PolarHBondContact O-N 3.13Å; L145-T148 VanDerWaalsContact O-N 3.12Å; L145-T148 PolarHBondContact O-OG1 3.46Å; L145-L149 PolarHBondContact O-N 3.01Å; L145-F157 HydrophobicContact CB-CD2 4.14Å; L145-F157 HydrophobicContact CB-CE2 3.96Å; L145-F157 HydrophobicContact CB-CZ 4.23Å; L145-F157 HydrophobicContact CD1-CD1 4.44Å; L145-F157 HydrophobicContact CD2-CD1 4.4Å; L145-F157 HydrophobicContact CD2-CE1 3.72Å; L145-F157 HydrophobicContact CD2-CE2 4.23Å; L145-F157 HydrophobicContact CD2-CZ 3.62Å; L145-F157 HydrophobicContact CG-CZ 4.43Å; L145-F157 VanDerWaalsContact O-CE2 3.22Å; L145-F157 WeakPolarHBondContact O-CE2 3.16Å; L145-L169 HydrophobicContact CB-CD1 3.88Å; L145-L169 HydrophobicContact CB-CD2 4.39Å; L145-L169 HydrophobicContact CD1-CD2 3.76Å
146I95.1Very high94.5Very high48 Ų4858.5 Ų58.525%0.24630%0.296CS..Hα-helixtrans-58.9-39.5174-73164.4000110.6E142 L144 T148 L149 K168 L169 T172E142-I146 WeakPolarHBondContact O-CB 3.47Å; E142-I146 WeakPolarHBondContact O-CD1 3.46Å; E142-I146 WeakPolarHBondContact O-CG1 3.45Å; E142-I146 PolarHBondContact O-N 2.93Å; L144-I146 VanDerWaalsContact C-N 3.35Å; L144-I146 PolarHBondContact O-N 3.36Å; I146-T148 VanDerWaalsContact C-N 3.26Å; I146-T148 PolarHBondContact O-N 3.04Å; I146-L149 WeakPolarHBondContact O-CB 3.3Å; I146-L149 PolarHBondContact O-N 3.25Å; I146-K168 HydrophobicContact CD1-CB 4.34Å; I146-K168 HydrophobicContact CD1-CG 3.65Å; I146-L169 HydrophobicContact CG1-CD1 3.83Å; I146-T172 HydrophobicContact CG1-CG2 4.26Å; I146-T172 HydrophobicContact CG2-CG2 4.04Å
147S93.7Very high94.7Very high87 Ų8753 Ų5361%0.60827%0.27SS*.Hα-helixtrans-69.5-21.617976.90000114R143 L144 L145R143-S147 PolarHBondContact O-N 3.47Å; L144-S147 WeakPolarHBondContact O-CB 3.15Å; L144-S147 PolarHBondContact O-N 3.25Å; L144-S147 VanDerWaalsContact O-N 3.13Å; L144-S147 PolarHBondContact O-OG 3.34Å; L145-S147 PolarHBondContact O-N 3.12Å
148T93.7Very high94.7Very high50 Ų5056.9 Ų56.931%0.30729%0.285SS..Hα-helixtrans-103.60.4179.666.40000113.4D119 L144 L145 I146 N150 N153D119-T148 PolarHBondContact OD1-OG1 3.45Å; L144-T148 PolarHBondContact O-N 3.34Å; L145-T148 CarbonylContact O-C 3.41Å; L145-T148 PolarHBondContact O-N 3.13Å; L145-T148 VanDerWaalsContact O-N 3.12Å; L145-T148 PolarHBondContact O-OG1 3.46Å; I146-T148 VanDerWaalsContact C-N 3.26Å; I146-T148 PolarHBondContact O-N 3.04Å; T148-N150 PolarHBondContact O-N 3.34Å; T148-N150 PolarHBondContact O-ND2 3.24Å; T148-N153 PolarHBondContact O-ND2 3.04Å
149L94.7Very high94.8Very high33 Ų3362.6 Ų62.617%0.17331%0.31CS..  trans-57.6125.3-176.6-179.964.8000112.1L145 I146 F154 F157 T172 T173 Y176L145-L149 PolarHBondContact O-N 3.01Å; I146-L149 WeakPolarHBondContact O-CB 3.3Å; I146-L149 PolarHBondContact O-N 3.25Å; L149-F154 HydrophobicContact CD1-CB 3.57Å; L149-F157 HydrophobicContact CB-CD2 4.46Å; L149-F157 HydrophobicContact CB-CE2 4.49Å; L149-F157 HydrophobicContact CD1-CD2 3.75Å; L149-F157 HydrophobicContact CD1-CE2 4.42Å; L149-T172 HydrophobicContact CD2-CG2 3.78Å; L149-T173 HydrophobicContact CD1-CG2 3.88Å; L149-T173 HydrophobicContact CD2-CG2 4.36Å; L149-Y176 HydrophobicContact CD2-CD2 4.37Å; L149-Y176 HydrophobicContact CD2-CG 4.13Å; L149-Y176 HydrophobicContact CG-CG 4.38Å
150N93.4Very high94.8Very high58 Ų5859 Ų5931%0.3129%0.293SS..  trans-153.5176.3-179.264.761.8000111.7T148 N152 N153 F154T148-N150 PolarHBondContact O-N 3.34Å; T148-N150 PolarHBondContact O-ND2 3.24Å; N150-N152 PolarHBondContact O-N 2.96Å; N150-N152 VanDerWaalsContact O-N 3.11Å; N150-N152 WeakPolarHBondContact OD1-CA 3.22Å; N150-N152 WeakPolarHBondContact OD1-CB 3.34Å; N150-N152 PolarHBondContact OD1-N 3.5Å; N150-N153 PolarHBondContact N-OD1 3.23Å; N150-N153 PolarHBondContact ND2-ND2 2.9Å; N150-N153 PolarHBondContact O-N 3.47Å; N150-N153 PolarHBondContact O-OD1 3Å; N150-N153 PolarHBondContact OD1-N 2.97Å; N150-N153 PolarHBondContact OD1-OD1 3.48Å; N150-F154 WeakPolarHBondContact O-CB 3.44Å; N150-F154 WeakPolarHBondContact O-CD1 3.4Å; N150-F154 PolarHBondContact O-N 3.32Å
151V92.7Very high94.8Very high82 Ų8255 Ų5550%0.49728%0.278SS..THydrogen-bonded Turntrans-62.7-18.6-176.480.60000114F154 Y176 L180V151-F154 HydrophobicContact CG2-CE1 4.16Å; V151-F154 WeakPolarHBondContact O-CD1 3.31Å; V151-F154 WeakPolarHBondContact O-CE1 3.27Å; V151-Y176 PolarHBondContact N-OH 3.01Å; V151-Y176 VanDerWaalsContact N-OH 3.08Å; V151-L180 HydrophobicContact CG2-CD1 4.32Å
152N93.8Very high94.7Very high140 Ų14059.8 Ų59.875%0.74930%0.302SS*.THydrogen-bonded Turntrans-93.2-24.2-178.6-58.3-47.7000112.9N150N150-N152 PolarHBondContact O-N 2.96Å; N150-N152 VanDerWaalsContact O-N 3.11Å; N150-N152 WeakPolarHBondContact OD1-CA 3.22Å; N150-N152 WeakPolarHBondContact OD1-CB 3.34Å; N150-N152 PolarHBondContact OD1-N 3.5Å
153N94.6Very high94.7Very high8 Ų863.9 Ų63.94%0.04332%0.324CS..THydrogen-bonded Turntrans-112.5-17.5-174.865.114.8000114.6D119 T148 N150 V155 K156 F157D119-N153 PolarHBondContact OD2-ND2 3.23Å; T148-N153 PolarHBondContact O-ND2 3.04Å; N150-N153 PolarHBondContact N-OD1 3.23Å; N150-N153 PolarHBondContact ND2-ND2 2.9Å; N150-N153 PolarHBondContact O-N 3.47Å; N150-N153 PolarHBondContact O-OD1 3Å; N150-N153 PolarHBondContact OD1-N 2.97Å; N150-N153 PolarHBondContact OD1-OD1 3.48Å; N153-V155 PolarHBondContact O-N 2.97Å; N153-V155 VanDerWaalsContact O-N 3.08Å; N153-K156 WeakPolarHBondContact O-CB 3.41Å; N153-K156 PolarHBondContact O-N 3.19Å; N153-F157 HydrophobicContact CB-CD1 4.34Å; N153-F157 HydrophobicContact CB-CE1 3.86Å; N153-F157 HydrophobicContact CB-CE2 4.14Å; N153-F157 HydrophobicContact CB-CZ 3.75Å; N153-F157 VanDerWaalsContact CG-CE2 3.41Å; N153-F157 VanDerWaalsContact CG-CZ 3.42Å; N153-F157 WeakPolarHBondContact ND2-CE2 3.46Å; N153-F157 WeakPolarHBondContact ND2-CZ 3.28Å; N153-F157 PolarHBondContact O-N 3.48Å
154F94.4Very high94.6Very high36 Ų3658.2 Ų58.216%0.15830%0.303CS..Hα-helixtrans-54-37.2-173.876.4-87.1000114L149 N150 V151 K156 F157 Y158 Y176 I177 L180L149-F154 HydrophobicContact CD1-CB 3.57Å; N150-F154 WeakPolarHBondContact O-CB 3.44Å; N150-F154 WeakPolarHBondContact O-CD1 3.4Å; N150-F154 PolarHBondContact O-N 3.32Å; V151-F154 HydrophobicContact CG2-CE1 4.16Å; V151-F154 WeakPolarHBondContact O-CD1 3.31Å; V151-F154 WeakPolarHBondContact O-CE1 3.27Å; F154-K156 PolarHBondContact O-N 3.49Å; F154-F157 PolarHBondContact O-N 2.96Å; F154-Y158 VanDerWaalsContact O-CB 3.29Å; F154-Y158 WeakPolarHBondContact O-CB 3.35Å; F154-Y158 PolarHBondContact O-N 2.9Å; F154-Y176 HydrophobicContact CB-CD1 3.66Å; F154-Y176 HydrophobicContact CB-CE1 3.87Å; F154-Y176 HydrophobicContact CD1-CD1 4.3Å; F154-Y176 AromaticContact CD1-CE1 3.88Å; F154-Y176 HydrophobicContact CD1-CE1 3.88Å; F154-Y176 HydrophobicContact CD2-CD1 4.37Å; F154-Y176 AromaticContact CG-CD1 3.87Å; F154-Y176 HydrophobicContact CG-CD1 3.87Å; F154-Y176 AromaticContact CG-CE1 3.91Å; F154-Y176 HydrophobicContact CG-CE1 3.91Å; F154-I177 HydrophobicContact CD2-CD1 4.13Å; F154-I177 HydrophobicContact CD2-CG1 3.57Å; F154-I177 HydrophobicContact CE2-CD1 4.4Å; F154-I177 HydrophobicContact CE2-CG1 3.75Å; F154-L180 HydrophobicContact CD1-CD1 4.47Å; F154-L180 HydrophobicContact CE1-CD1 4.1Å; F154-L180 HydrophobicContact CZ-CD1 4.19Å
155V94.5Very high94.5Very high93 Ų9362.5 Ų62.556%0.56433%0.326SS*.Hα-helixtrans-62.5-43.8178.5179.80000111N153 K159N153-V155 PolarHBondContact O-N 2.97Å; N153-V155 VanDerWaalsContact O-N 3.08Å; V155-K159 PolarHBondContact O-N 3.05Å; V155-K159 VanDerWaalsContact O-N 3.09Å
156K95.2Very high94.4Very high139 Ų13962.6 Ų62.660%0.60433%0.327SS*.Hα-helixtrans-67.4-41.7179.1-61179-174.9175.30110.5L123 N153 F154 K159 C160L123-K156 HydrophobicContact CD1-CB 4.48Å; N153-K156 WeakPolarHBondContact O-CB 3.41Å; N153-K156 PolarHBondContact O-N 3.19Å; F154-K156 PolarHBondContact O-N 3.49Å; K156-K159 PolarHBondContact O-N 2.9Å; K156-C160 WeakPolarHBondContact O-CB 3.46Å; K156-C160 PolarHBondContact O-N 3.44Å
157F96.9Very high94.4Very high1 Ų167.2 Ų67.20%0.00435%0.348CS..Hα-helixtrans-66.3-43.4179.2-671.2000111.4D119 L123 L145 L149 N153 F154 C160 A161 L169 T173D119-F157 HydrophobicContact CB-CE1 3.97Å; D119-F157 HydrophobicContact CB-CZ 4.18Å; D119-F157 VanDerWaalsContact CG-CZ 3.49Å; D119-F157 WeakPolarHBondContact OD2-CZ 3.21Å; L123-F157 HydrophobicContact CD1-CD1 4.4Å; L123-F157 HydrophobicContact CD1-CE1 4.41Å; L123-F157 HydrophobicContact CD2-CD1 4.15Å; L145-F157 HydrophobicContact CB-CD2 4.14Å; L145-F157 HydrophobicContact CB-CE2 3.96Å; L145-F157 HydrophobicContact CB-CZ 4.23Å; L145-F157 HydrophobicContact CD1-CD1 4.44Å; L145-F157 HydrophobicContact CD2-CD1 4.4Å; L145-F157 HydrophobicContact CD2-CE1 3.72Å; L145-F157 HydrophobicContact CD2-CE2 4.23Å; L145-F157 HydrophobicContact CD2-CZ 3.62Å; L145-F157 HydrophobicContact CG-CZ 4.43Å; L145-F157 VanDerWaalsContact O-CE2 3.22Å; L145-F157 WeakPolarHBondContact O-CE2 3.16Å; L149-F157 HydrophobicContact CB-CD2 4.46Å; L149-F157 HydrophobicContact CB-CE2 4.49Å; L149-F157 HydrophobicContact CD1-CD2 3.75Å; L149-F157 HydrophobicContact CD1-CE2 4.42Å; N153-F157 HydrophobicContact CB-CD1 4.34Å; N153-F157 HydrophobicContact CB-CE1 3.86Å; N153-F157 HydrophobicContact CB-CE2 4.14Å; N153-F157 HydrophobicContact CB-CZ 3.75Å; N153-F157 VanDerWaalsContact CG-CE2 3.41Å; N153-F157 VanDerWaalsContact CG-CZ 3.42Å; N153-F157 WeakPolarHBondContact ND2-CE2 3.46Å; N153-F157 WeakPolarHBondContact ND2-CZ 3.28Å; N153-F157 PolarHBondContact O-N 3.48Å; F154-F157 PolarHBondContact O-N 2.96Å; F157-C160 PolarHBondContact O-N 2.63Å; F157-A161 WeakPolarHBondContact O-CB 3.22Å; F157-A161 PolarHBondContact O-N 3.43Å; F157-L169 HydrophobicContact CB-CD1 4.31Å; F157-L169 HydrophobicContact CD2-CD1 4.46Å; F157-T173 HydrophobicContact CB-CG2 3.69Å
158Y95.9Very high94.5Very high81 Ų8168.2 Ų68.232%0.31834%0.341SS..Hα-helixtrans-59.8-49.1176.3-179.9-99.6000111.5F154 C160 A161 M162 L170 I177F154-Y158 VanDerWaalsContact O-CB 3.29Å; F154-Y158 WeakPolarHBondContact O-CB 3.35Å; F154-Y158 PolarHBondContact O-N 2.9Å; Y158-C160 PolarHBondContact O-N 3.47Å; Y158-A161 PolarHBondContact O-N 2.96Å; Y158-M162 HydrophobicContact CD1-CG 4.48Å; Y158-M162 HydrophobicContact CD1-SD 4Å; Y158-M162 HydrophobicContact CE1-CG 4.09Å; Y158-M162 HydrophobicContact CE1-SD 3.22Å; Y158-M162 WeakPolarHBondContact CE1-SD 3.4Å; Y158-M162 HydrophobicContact CE2-CG 4.48Å; Y158-M162 HydrophobicContact CE2-SD 4.39Å; Y158-M162 WeakPolarHBondContact O-CG 3.33Å; Y158-M162 PolarHBondContact O-N 2.99Å; Y158-M162 PolarHBondContact OH-SD 3.48Å; Y158-L170 HydrophobicContact CD2-CD1 3.78Å; Y158-L170 HydrophobicContact CE2-CD1 3.51Å; Y158-I177 HydrophobicContact CD1-CD1 4.41Å; Y158-I177 HydrophobicContact CD2-CD1 3.78Å; Y158-I177 HydrophobicContact CE2-CD1 4.28Å; Y158-I177 HydrophobicContact CG-CD1 3.86Å
159K95.8Very high94.5Very high136 Ų13665.8 Ų65.859%0.59133%0.326SS*.Hα-helixtrans-58.4-49.7177.5-177.7178.9176.6-177.50111.8V155 K156 A161 M162 D163V155-K159 PolarHBondContact O-N 3.05Å; V155-K159 VanDerWaalsContact O-N 3.09Å; K156-K159 PolarHBondContact O-N 2.9Å; K159-A161 VanDerWaalsContact C-N 3.33Å; K159-A161 PolarHBondContact O-N 2.94Å; K159-M162 PolarHBondContact O-N 2.71Å; K159-D163 VanDerWaalsContact O-CG 3.27Å; K159-D163 PolarHBondContact O-N 2.97Å
160C94.6Very high94.6Very high7 Ų766.4 Ų66.45%0.04733%0.33CS..Hα-helixtrans-63.4-39.7178.8-173.90000112L123 K156 F157 Y158 M162 D163 L164L123-C160 HydrophobicContact CD2-CB 3.53Å; L123-C160 WeakPolarHBondContact CD2-SG 3.13Å; K156-C160 WeakPolarHBondContact O-CB 3.46Å; K156-C160 PolarHBondContact O-N 3.44Å; F157-C160 PolarHBondContact O-N 2.63Å; Y158-C160 PolarHBondContact O-N 3.47Å; C160-M162 VanDerWaalsContact C-N 3.32Å; C160-M162 PolarHBondContact O-N 3.26Å; C160-D163 PolarHBondContact O-N 2.82Å; C160-L164 WeakPolarHBondContact O-CB 3.46Å; C160-L164 VanDerWaalsContact O-CG 3.28Å; C160-L164 WeakPolarHBondContact O-CG 3.46Å; C160-L164 PolarHBondContact O-N 3.28Å; C160-L164 WeakPolarHBondContact SG-CD1 3.47Å
161A95.3Very high94.8Very high0 Ų069 Ų690%034%0.34CS..Hα-helixtrans-62.3-40.1177.100000112.2F157 Y158 K159 N165 A166 L169 L170F157-A161 WeakPolarHBondContact O-CB 3.22Å; F157-A161 PolarHBondContact O-N 3.43Å; Y158-A161 PolarHBondContact O-N 2.96Å; K159-A161 VanDerWaalsContact C-N 3.33Å; K159-A161 PolarHBondContact O-N 2.94Å; A161-N165 CarbonylContact O-C 3.58Å; A161-N165 WeakPolarHBondContact O-CA 3.38Å; A161-N165 PolarHBondContact O-N 2.76Å; A161-A166 HydrophobicContact CB-CB 4.35Å; A161-A166 PolarHBondContact O-N 3.04Å; A161-L169 HydrophobicContact CB-CB 3.99Å; A161-L169 HydrophobicContact CB-CD2 3.94Å; A161-L169 HydrophobicContact CB-CG 3.84Å; A161-L170 HydrophobicContact CB-CB 3.91Å; A161-L170 HydrophobicContact CB-CD1 4.21Å
162M94.7Very high94.9Very high101 Ų10166.7 Ų66.750%0.49833%0.326SS..Hα-helixtrans-63.6-50.7172.3-70.7-17172.900111.7Y158 K159 C160 L164 N165 L170Y158-M162 HydrophobicContact CD1-CG 4.48Å; Y158-M162 HydrophobicContact CD1-SD 4Å; Y158-M162 HydrophobicContact CE1-CG 4.09Å; Y158-M162 HydrophobicContact CE1-SD 3.22Å; Y158-M162 WeakPolarHBondContact CE1-SD 3.4Å; Y158-M162 HydrophobicContact CE2-CG 4.48Å; Y158-M162 HydrophobicContact CE2-SD 4.39Å; Y158-M162 WeakPolarHBondContact O-CG 3.33Å; Y158-M162 PolarHBondContact O-N 2.99Å; Y158-M162 PolarHBondContact OH-SD 3.48Å; K159-M162 PolarHBondContact O-N 2.71Å; C160-M162 VanDerWaalsContact C-N 3.32Å; C160-M162 PolarHBondContact O-N 3.26Å; M162-L164 PolarHBondContact O-N 3.41Å; M162-N165 PolarHBondContact O-N 3.33Å; M162-L170 HydrophobicContact CG-CD1 3.52Å
163D94.1Very high95Very high102 Ų10260 Ų6055%0.54529%0.29SS..Hα-helixtrans-60.6-34.3-176.8-69.2-19.4000112.1K159 C160K159-D163 VanDerWaalsContact O-CG 3.27Å; K159-D163 PolarHBondContact O-N 2.97Å; C160-D163 PolarHBondContact O-N 2.82Å
164L93.4Very high95Very high6 Ų661.7 Ų61.73%0.03130%0.303CS..Hα-helixtrans-95-10.2-177.3-61.6-176.8000114.2M126 H127 K130 C160 M162 A166M126-L164 HydrophobicContact CB-CD1 3.35Å; M126-L164 HydrophobicContact CE-CD1 4.06Å; M126-L164 HydrophobicContact CG-CD1 4.45Å; H127-L164 WeakPolarHBondContact ND1-CD2 3.2Å; K130-L164 HydrophobicContact CB-CD2 3.75Å; K130-L164 HydrophobicContact CG-CD2 3.96Å; K130-L164 PolarHBondContact NZ-O 3.31Å; C160-L164 WeakPolarHBondContact O-CB 3.46Å; C160-L164 VanDerWaalsContact O-CG 3.28Å; C160-L164 WeakPolarHBondContact O-CG 3.46Å; C160-L164 PolarHBondContact O-N 3.28Å; C160-L164 WeakPolarHBondContact SG-CD1 3.47Å; M162-L164 PolarHBondContact O-N 3.41Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 HydrophobicContact CB-CB 4.47Å
165N92.6Very high95.1Very high104 Ų10466.6 Ų66.656%0.55633%0.326SS*.THydrogen-bonded Turntrans54.646.4-167.3-159.576.5000112.1A161 M162 E167A161-N165 CarbonylContact O-C 3.58Å; A161-N165 WeakPolarHBondContact O-CA 3.38Å; A161-N165 PolarHBondContact O-N 2.76Å; M162-N165 PolarHBondContact O-N 3.33Å; N165-E167 PolarHBondContact O-N 2.84Å
166A94.1Very high95.1Very high2 Ų265 Ų652%0.01731%0.31CS..  trans-85.491.8177.700000109.4M126 I138 E142 A161 L164 K168 L169 L170M126-A166 HydrophobicContact CE-CB 3.93Å; I138-A166 HydrophobicContact CG2-CB 4.45Å; E142-A166 HydrophobicContact CG-CB 3.92Å; E142-A166 VanDerWaalsContact OE1-C 3.25Å; A161-A166 HydrophobicContact CB-CB 4.35Å; A161-A166 PolarHBondContact O-N 3.04Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 HydrophobicContact CB-CB 4.47Å; A166-K168 PolarHBondContact O-N 2.93Å; A166-L169 HydrophobicContact CB-CB 4.27Å; A166-L169 PolarHBondContact O-N 3.28Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.22Å; A166-L170 PolarHBondContact O-N 2.97Å
167E94Very high95.1Very high145 Ų14560.4 Ų60.468%0.67829%0.291SS*.Hα-helixtrans-58.3-44.2-167.1-66.1176.5-173.700113.4N165 L170 E171N165-E167 PolarHBondContact O-N 2.84Å; E167-L170 PolarHBondContact O-N 3.05Å; E167-E171 WeakPolarHBondContact O-CB 3.36Å; E167-E171 PolarHBondContact O-N 3.2Å
168K95.1Very high94.9Very high108 Ų10864.3 Ų64.347%0.4732%0.315SS..Hα-helixtrans-73.3-40.2-174.4-170.769.6-155.3161.10111.3E142 I146 A166 L170 E171 T172E142-K168 WeakPolarHBondContact OE1-CA 3.19Å; E142-K168 WeakPolarHBondContact OE1-CB 3.32Å; E142-K168 PolarHBondContact OE1-N 2.83Å; I146-K168 HydrophobicContact CD1-CB 4.34Å; I146-K168 HydrophobicContact CD1-CG 3.65Å; A166-K168 PolarHBondContact O-N 2.93Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-E171 IonicContact NZ-OE2 2.73Å; K168-E171 PolarHBondContact NZ-OE2 2.99Å; K168-T172 WeakPolarHBondContact O-CB 3.4Å; K168-T172 PolarHBondContact O-N 3.25Å; K168-T172 VanDerWaalsContact O-N 3.1Å; K168-T172 PolarHBondContact O-OG1 3.46Å
169L95.6Very high94.7Very high0 Ų062.8 Ų62.80%032%0.316CS..Hα-helixtrans-65.9-39.6174.4-174.763.4000111M126 E142 L145 I146 F157 A161 A166 T172 T173M126-L169 HydrophobicContact CE-CD2 4.25Å; M126-L169 HydrophobicContact SD-CD2 4.43Å; E142-L169 HydrophobicContact CB-CB 4.31Å; E142-L169 HydrophobicContact CG-CB 3.95Å; E142-L169 PolarHBondContact OE1-N 2.97Å; L145-L169 HydrophobicContact CB-CD1 3.88Å; L145-L169 HydrophobicContact CB-CD2 4.39Å; L145-L169 HydrophobicContact CD1-CD2 3.76Å; I146-L169 HydrophobicContact CG1-CD1 3.83Å; F157-L169 HydrophobicContact CB-CD1 4.31Å; F157-L169 HydrophobicContact CD2-CD1 4.46Å; A161-L169 HydrophobicContact CB-CB 3.99Å; A161-L169 HydrophobicContact CB-CD2 3.94Å; A161-L169 HydrophobicContact CB-CG 3.84Å; A166-L169 HydrophobicContact CB-CB 4.27Å; A166-L169 PolarHBondContact O-N 3.28Å; L169-T172 PolarHBondContact O-N 3.03Å; L169-T173 HydrophobicContact CD1-CG2 4.08Å; L169-T173 HydrophobicContact CG-CG2 4.33Å; L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 VanDerWaalsContact O-CG2 3.22Å; L169-T173 WeakPolarHBondContact O-CG2 3.29Å; L169-T173 PolarHBondContact O-N 3.31Å; L169-T173 PolarHBondContact O-OG1 3.45Å
170L96.3Very high94.5Very high46 Ų4658.8 Ų58.824%0.24130%0.301CS..Hα-helixtrans-64.1-47.6177.9-173.964.6000111.8Y158 A161 M162 A166 E167 K168 T172 T173 S174Y158-L170 HydrophobicContact CD2-CD1 3.78Å; Y158-L170 HydrophobicContact CE2-CD1 3.51Å; A161-L170 HydrophobicContact CB-CB 3.91Å; A161-L170 HydrophobicContact CB-CD1 4.21Å; M162-L170 HydrophobicContact CG-CD1 3.52Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.22Å; A166-L170 PolarHBondContact O-N 2.97Å; E167-L170 PolarHBondContact O-N 3.05Å; K168-L170 VanDerWaalsContact C-N 3.34Å; L170-T172 PolarHBondContact O-N 2.67Å; L170-T173 WeakPolarHBondContact CA-OG1 3.42Å; L170-T173 PolarHBondContact O-N 3.47Å; L170-T173 PolarHBondContact O-OG1 3.45Å; L170-T173 VanDerWaalsContact O-OG1 3.05Å; L170-S174 VanDerWaalsContact O-CB 3.31Å; L170-S174 WeakPolarHBondContact O-CB 3.42Å; L170-S174 PolarHBondContact O-N 3.27Å; L170-S174 PolarHBondContact O-OG 2.92Å
171E96.7Very high94.3Very high112 Ų11263.3 Ų63.352%0.52332%0.324SS..Hα-helixtrans-58.6-47.7176.5-175.8-167.4-167.200111.4E167 K168 S174 H175E167-E171 WeakPolarHBondContact O-CB 3.36Å; E167-E171 PolarHBondContact O-N 3.2Å; K168-E171 IonicContact NZ-OE2 2.73Å; K168-E171 PolarHBondContact NZ-OE2 2.99Å; E171-S174 WeakPolarHBondContact CA-OG 3.47Å; E171-S174 PolarHBondContact O-N 3.42Å; E171-S174 PolarHBondContact O-OG 3.49Å; E171-H175 WeakPolarHBondContact O-CB 3.49Å; E171-H175 PolarHBondContact O-N 3.32Å
172T95.8Very high94.2Very high33 Ų3367.4 Ų67.420%0.20235%0.346CS..Hα-helixtrans-66.5-43.7-177.8-50.50000111.4I146 L149 K168 L169 L170 Y176I146-T172 HydrophobicContact CG1-CG2 4.26Å; I146-T172 HydrophobicContact CG2-CG2 4.04Å; L149-T172 HydrophobicContact CD2-CG2 3.78Å; K168-T172 WeakPolarHBondContact O-CB 3.4Å; K168-T172 PolarHBondContact O-N 3.25Å; K168-T172 VanDerWaalsContact O-N 3.1Å; K168-T172 PolarHBondContact O-OG1 3.46Å; L169-T172 PolarHBondContact O-N 3.03Å; L170-T172 PolarHBondContact O-N 2.67Å; T172-Y176 WeakPolarHBondContact O-CB 3.26Å; T172-Y176 PolarHBondContact O-N 3.41Å
173T95.1Very high94Very high0 Ų071 Ų710%036%0.355CS..Hα-helixtrans-69-38.4179.451.60000112.2L149 F157 L169 L170 Y176 I177L149-T173 HydrophobicContact CD1-CG2 3.88Å; L149-T173 HydrophobicContact CD2-CG2 4.36Å; F157-T173 HydrophobicContact CB-CG2 3.69Å; L169-T173 HydrophobicContact CD1-CG2 4.08Å; L169-T173 HydrophobicContact CG-CG2 4.33Å; L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 VanDerWaalsContact O-CG2 3.22Å; L169-T173 WeakPolarHBondContact O-CG2 3.29Å; L169-T173 PolarHBondContact O-N 3.31Å; L169-T173 PolarHBondContact O-OG1 3.45Å; L170-T173 WeakPolarHBondContact CA-OG1 3.42Å; L170-T173 PolarHBondContact O-N 3.47Å; L170-T173 PolarHBondContact O-OG1 3.45Å; L170-T173 VanDerWaalsContact O-OG1 3.05Å; T173-Y176 WeakPolarHBondContact O-CB 3.49Å; T173-Y176 PolarHBondContact O-N 2.96Å; T173-I177 VanDerWaalsContact O-CG1 3.26Å; T173-I177 WeakPolarHBondContact O-CG1 3.47Å; T173-I177 PolarHBondContact O-N 3.49Å
174S95.5Very high93.6Very high44 Ų4470.3 Ų70.331%0.30836%0.358SS..Hα-helixtrans-66.5-42.8174.948.10000112.1L170 E171 Y176 I177 V178L170-S174 VanDerWaalsContact O-CB 3.31Å; L170-S174 WeakPolarHBondContact O-CB 3.42Å; L170-S174 PolarHBondContact O-N 3.27Å; L170-S174 PolarHBondContact O-OG 2.92Å; E171-S174 WeakPolarHBondContact CA-OG 3.47Å; E171-S174 PolarHBondContact O-N 3.42Å; E171-S174 PolarHBondContact O-OG 3.49Å; S174-Y176 VanDerWaalsContact C-N 3.3Å; S174-Y176 PolarHBondContact O-N 2.84Å; S174-I177 PolarHBondContact O-N 3.09Å; S174-V178 WeakPolarHBondContact O-CG2 3.47Å; S174-V178 PolarHBondContact O-N 3.25Å
175H95.7Very high93.2Very high139 Ų13973.9 Ų73.964%0.64438%0.384SS*.Hα-helixtrans-57.4-44.6171.3178.2-87.6000111.6E171 I177 V178 S179E171-H175 WeakPolarHBondContact O-CB 3.49Å; E171-H175 PolarHBondContact O-N 3.32Å; H175-I177 PolarHBondContact O-N 3.23Å; H175-V178 PolarHBondContact O-N 3.11Å; H175-S179 WeakPolarHBondContact O-CB 3.38Å; H175-S179 PolarHBondContact O-N 2.94Å
176Y95Very high92.6Very high58 Ų5872.1 Ų72.123%0.22739%0.39CS..Hα-helixtrans-59.7-45177-171.6-101.6000112L149 V151 F154 T172 T173 S174 V178 S179 L180L149-Y176 HydrophobicContact CD2-CD2 4.37Å; L149-Y176 HydrophobicContact CD2-CG 4.13Å; L149-Y176 HydrophobicContact CG-CG 4.38Å; V151-Y176 PolarHBondContact N-OH 3.01Å; V151-Y176 VanDerWaalsContact N-OH 3.08Å; F154-Y176 HydrophobicContact CB-CD1 3.66Å; F154-Y176 HydrophobicContact CB-CE1 3.87Å; F154-Y176 HydrophobicContact CD1-CD1 4.3Å; F154-Y176 AromaticContact CD1-CE1 3.88Å; F154-Y176 HydrophobicContact CD1-CE1 3.88Å; F154-Y176 HydrophobicContact CD2-CD1 4.37Å; F154-Y176 AromaticContact CG-CD1 3.87Å; F154-Y176 HydrophobicContact CG-CD1 3.87Å; F154-Y176 AromaticContact CG-CE1 3.91Å; F154-Y176 HydrophobicContact CG-CE1 3.91Å; T172-Y176 WeakPolarHBondContact O-CB 3.26Å; T172-Y176 PolarHBondContact O-N 3.41Å; T173-Y176 WeakPolarHBondContact O-CB 3.49Å; T173-Y176 PolarHBondContact O-N 2.96Å; S174-Y176 VanDerWaalsContact C-N 3.3Å; S174-Y176 PolarHBondContact O-N 2.84Å; Y176-V178 PolarHBondContact O-N 3.04Å; Y176-S179 PolarHBondContact O-N 3.08Å; Y176-S179 PolarHBondContact O-OG 3.48Å; Y176-L180 HydrophobicContact CD1-CD1 3.8Å; Y176-L180 HydrophobicContact CD1-CG 4.35Å; Y176-L180 HydrophobicContact CE1-CD1 3.4Å; Y176-L180 VanDerWaalsContact CE1-CD1 3.4Å; Y176-L180 HydrophobicContact CE1-CG 4.07Å; Y176-L180 WeakPolarHBondContact O-CG 3.18Å; Y176-L180 PolarHBondContact O-N 3.35Å
177I94.1Very high91.4Very high43 Ų4381.3 Ų81.322%0.22142%0.424CS..Hα-helixtrans-59.8-48.2176.6-67.9162.8000111.2F154 Y158 T173 S174 H175 S179 L180 L181F154-I177 HydrophobicContact CD2-CD1 4.13Å; F154-I177 HydrophobicContact CD2-CG1 3.57Å; F154-I177 HydrophobicContact CE2-CD1 4.4Å; F154-I177 HydrophobicContact CE2-CG1 3.75Å; Y158-I177 HydrophobicContact CD1-CD1 4.41Å; Y158-I177 HydrophobicContact CD2-CD1 3.78Å; Y158-I177 HydrophobicContact CE2-CD1 4.28Å; Y158-I177 HydrophobicContact CG-CD1 3.86Å; T173-I177 VanDerWaalsContact O-CG1 3.26Å; T173-I177 WeakPolarHBondContact O-CG1 3.47Å; T173-I177 PolarHBondContact O-N 3.49Å; S174-I177 PolarHBondContact O-N 3.09Å; H175-I177 PolarHBondContact O-N 3.23Å; I177-S179 VanDerWaalsContact C-N 3.31Å; I177-S179 PolarHBondContact O-N 2.96Å; I177-L180 PolarHBondContact O-N 3.05Å; I177-L181 HydrophobicContact CG2-CD1 4.16Å; I177-L181 HydrophobicContact CG2-CG 4.49Å; I177-L181 WeakPolarHBondContact O-CG 3.44Å; I177-L181 PolarHBondContact O-N 3.03Å
178V93.8Very high89.8Confident83 Ų8380.8 Ų80.850%0.50343%0.425SS..Hα-helixtrans-60.6-43.3178.3176.30000110.7S174 H175 Y176 L180 L181 L182S174-V178 WeakPolarHBondContact O-CG2 3.47Å; S174-V178 PolarHBondContact O-N 3.25Å; H175-V178 PolarHBondContact O-N 3.11Å; Y176-V178 PolarHBondContact O-N 3.04Å; V178-L180 VanDerWaalsContact C-N 3.31Å; V178-L180 PolarHBondContact O-N 3.08Å; V178-L181 PolarHBondContact O-N 3.37Å; V178-L182 HydrophobicContact CG1-CD1 4.03Å; V178-L182 HydrophobicContact CG1-CG 4.3Å; V178-L182 WeakPolarHBondContact O-CG 3.47Å; V178-L182 PolarHBondContact O-N 2.94Å
179S91.8Very high87.6Confident49 Ų4985.4 Ų85.434%0.34346%0.462SS..Hα-helixtrans-60-39.6178.376.10000112.6H175 Y176 I177 Y183H175-S179 WeakPolarHBondContact O-CB 3.38Å; H175-S179 PolarHBondContact O-N 2.94Å; Y176-S179 PolarHBondContact O-N 3.08Å; Y176-S179 PolarHBondContact O-OG 3.48Å; I177-S179 VanDerWaalsContact C-N 3.31Å; I177-S179 PolarHBondContact O-N 2.96Å; S179-Y183 WeakPolarHBondContact O-CB 3.06Å; S179-Y183 PolarHBondContact O-N 3.07Å
180L91.7Very high87.2Confident52 Ų5289.7 Ų89.727%0.27249%0.485SS..Hα-helixtrans-67.8-41176.2-74.4176.9000112.2V151 F154 Y176 I177 V178 Y183 S184V151-L180 HydrophobicContact CG2-CD1 4.32Å; F154-L180 HydrophobicContact CD1-CD1 4.47Å; F154-L180 HydrophobicContact CE1-CD1 4.1Å; F154-L180 HydrophobicContact CZ-CD1 4.19Å; Y176-L180 HydrophobicContact CD1-CD1 3.8Å; Y176-L180 HydrophobicContact CD1-CG 4.35Å; Y176-L180 HydrophobicContact CE1-CD1 3.4Å; Y176-L180 VanDerWaalsContact CE1-CD1 3.4Å; Y176-L180 HydrophobicContact CE1-CG 4.07Å; Y176-L180 WeakPolarHBondContact O-CG 3.18Å; Y176-L180 PolarHBondContact O-N 3.35Å; I177-L180 PolarHBondContact O-N 3.05Å; V178-L180 VanDerWaalsContact C-N 3.31Å; V178-L180 PolarHBondContact O-N 3.08Å; L180-Y183 PolarHBondContact O-N 3.43Å; L180-S184 WeakPolarHBondContact O-CB 3.4Å; L180-S184 PolarHBondContact O-N 3.42Å; L180-S184 PolarHBondContact O-OG 3.2Å
181L90.6Very high86.7Confident102 Ų10292 Ų9253%0.53450%0.498SS..Hα-helixtrans-65.8-41178.3-69.1178.4000111.8I177 V178 S184 S185I177-L181 HydrophobicContact CG2-CD1 4.16Å; I177-L181 HydrophobicContact CG2-CG 4.49Å; I177-L181 WeakPolarHBondContact O-CG 3.44Å; I177-L181 PolarHBondContact O-N 3.03Å; V178-L181 PolarHBondContact O-N 3.37Å; L181-S184 WeakPolarHBondContact CA-OG 3.49Å; L181-S184 PolarHBondContact O-N 3.24Å; L181-S184 PolarHBondContact O-OG 3.48Å; L181-S185 WeakPolarHBondContact O-CB 3.43Å; L181-S185 PolarHBondContact O-N 3.47Å; L181-S185 PolarHBondContact O-OG 3.03Å
182L92.5Very high86.2Confident87 Ų8790.9 Ų90.946%0.45550%0.496SS..Hα-helixtrans-63.4-44.4175.5-70.3176.5000111.7V178 S184 S185 R187V178-L182 HydrophobicContact CG1-CD1 4.03Å; V178-L182 HydrophobicContact CG1-CG 4.3Å; V178-L182 WeakPolarHBondContact O-CG 3.47Å; V178-L182 PolarHBondContact O-N 2.94Å; L182-S184 PolarHBondContact O-N 2.85Å; L182-S185 PolarHBondContact O-N 3.31Å; L182-R187 PolarHBondContact O-N 3.34Å
183Y90.3Very high85.6Confident175 Ų17594.3 Ų94.369%0.68651%0.514SS*.Hα-helixtrans-58.7-46.7174.6-176.4-98.4000111.8S179 L180 S185 G186S179-Y183 WeakPolarHBondContact O-CB 3.06Å; S179-Y183 PolarHBondContact O-N 3.07Å; L180-Y183 PolarHBondContact O-N 3.43Å; Y183-S185 VanDerWaalsContact C-N 3.28Å; Y183-S185 PolarHBondContact O-N 3.24Å; Y183-G186 PolarHBondContact O-N 3.34Å
184S85.1Confident85Confident88 Ų88100.2 Ų100.262%0.61555%0.546SS*.Hα-helixtrans-65.7-27.9178.872.20000114.1L180 L181 L182 G186L180-S184 WeakPolarHBondContact O-CB 3.4Å; L180-S184 PolarHBondContact O-N 3.42Å; L180-S184 PolarHBondContact O-OG 3.2Å; L181-S184 WeakPolarHBondContact CA-OG 3.49Å; L181-S184 PolarHBondContact O-N 3.24Å; L181-S184 PolarHBondContact O-OG 3.48Å; L182-S184 PolarHBondContact O-N 2.85Å; S184-G186 VanDerWaalsContact C-N 3.26Å; S184-G186 PolarHBondContact O-N 3.36Å
185S85Confident84.3Confident82 Ų82103.9 Ų103.957%0.57356%0.562SS**THydrogen-bonded Turntrans-83.51.6-178.6-58.40000113.4L181 L182 Y183 R187L181-S185 WeakPolarHBondContact O-CB 3.43Å; L181-S185 PolarHBondContact O-N 3.47Å; L181-S185 PolarHBondContact O-OG 3.03Å; L182-S185 PolarHBondContact O-N 3.31Å; Y183-S185 VanDerWaalsContact C-N 3.28Å; Y183-S185 PolarHBondContact O-N 3.24Å; S185-R187 PolarHBondContact O-N 2.78Å
186G81.1Confident83.5Confident66 Ų66101.4 Ų101.468%0.6856%0.556SS**THydrogen-bonded Turntrans67.311.6-176.100000114.2Y183 S184 I188Y183-G186 PolarHBondContact O-N 3.34Å; S184-G186 VanDerWaalsContact C-N 3.26Å; S184-G186 PolarHBondContact O-N 3.36Å; G186-I188 PolarHBondContact O-N 3.2Å
187R68.2Low82.6Confident195 Ų195104.8 Ų104.874%0.73658%0.581SS**  trans-99.377.3175.6-69.3-173.5-179-178.41108.5L182 S185 V189L182-R187 PolarHBondContact O-N 3.34Å; S185-R187 PolarHBondContact O-N 2.78Å; R187-V189 PolarHBondContact O-N 3.41Å
188I59.9Low81.7Confident134 Ų134109.9 Ų109.969%0.68761%0.611SS**  trans-73.9121.2168.4-59.9170.4000107.3G186G186-I188 PolarHBondContact O-N 3.2Å
189V49.8Very low80.6Confident206 Ų206112.4 Ų112.4100%1.24862%0.621SS**  trans-107.10142.9178.10000105.8R187R187-V189 PolarHBondContact O-N 3.41Å

Retrieved 189 of 189 residues in 185 ms (Link to these results)

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