A0A5K4ENN3_SCHMA Loading...

Bestrophin homolog

Forms chloride channels.

AlphaFold DB (A0A3Q0KN00), UniProt , Accession A0A5K4ENN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 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
1M63.9Low76.5Confident201 Ų201124.5 Ų124.599%0.9962%0.623SS**  0-15.70-76.1-172.1171.900112.2M4 S5M1-M4 PolarHBondContact O-N 3.33Å; M1-S5 PolarHBondContact O-N 2.93Å
2D73.6Confident76.9Confident132 Ų132117.9 Ų117.971%0.70660%0.602SS**Hα-helixtrans-71.8-32.6-172.9-51.5-62.3000114.7M4 S5 L6D2-M4 VanDerWaalsContact C-N 3.27Å; D2-M4 PolarHBondContact O-N 3.05Å; D2-S5 PolarHBondContact O-N 3.18Å; D2-L6 WeakPolarHBondContact O-CB 3.44Å; D2-L6 PolarHBondContact O-N 3.03Å
3V75.6Confident77.3Confident128 Ų128117.3 Ų117.378%0.77660%0.6SS**Hα-helixtrans-61.4-37.9177.3-174.30000111.3S7V3-S7 WeakPolarHBondContact O-CB 3.47Å; V3-S7 PolarHBondContact O-N 3.42Å
4M74.7Confident77.7Confident126 Ų126121.7 Ų121.762%0.62161%0.607SS**Hα-helixtrans-71.4-43.2177.7-138.2177.9-178.300110.9M1 D2 L6 S7 Y8M1-M4 PolarHBondContact O-N 3.33Å; D2-M4 VanDerWaalsContact C-N 3.27Å; D2-M4 PolarHBondContact O-N 3.05Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L6 PolarHBondContact O-N 3.21Å; M4-S7 PolarHBondContact O-N 3.19Å; M4-Y8 HydrophobicContact CE-CE2 4.39Å; M4-Y8 HydrophobicContact CG-CD2 4.39Å; M4-Y8 HydrophobicContact CG-CE2 3.84Å; M4-Y8 WeakPolarHBondContact O-CD2 3.48Å; M4-Y8 PolarHBondContact O-N 3.42Å; M4-Y8 HydrophobicContact SD-CE2 4.44Å
5S73.9Confident78.1Confident55 Ų55118.1 Ų118.139%0.38560%0.598SS.*Hα-helixtrans-60-42.1175.5-175.30000112.3M1 D2 Y8 R9M1-S5 PolarHBondContact O-N 2.93Å; D2-S5 PolarHBondContact O-N 3.18Å; S5-Y8 PolarHBondContact O-N 3.25Å; S5-R9 WeakPolarHBondContact O-CG 3.3Å; S5-R9 PolarHBondContact O-N 2.78Å
6L74.9Confident78.4Confident105 Ų105120.4 Ų120.455%0.5560%0.603SS.*Hα-helixtrans-67-40177.9-165.169.5000111.7D2 M4 R9 N10D2-L6 WeakPolarHBondContact O-CB 3.44Å; D2-L6 PolarHBondContact O-N 3.03Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L6 PolarHBondContact O-N 3.21Å; L6-R9 PolarHBondContact O-N 3.3Å; L6-N10 WeakPolarHBondContact O-CB 3.45Å; L6-N10 VanDerWaalsContact O-CG 3.28Å; L6-N10 PolarHBondContact O-N 3.04Å; L6-N10 PolarHBondContact O-ND2 3.48Å
7S80.9Confident78.8Confident75 Ų75120.1 Ų120.152%0.52460%0.599SS.*Hα-helixtrans-61.3-45.9175-174.80000112V3 M4 N10 F11V3-S7 WeakPolarHBondContact O-CB 3.47Å; V3-S7 PolarHBondContact O-N 3.42Å; M4-S7 PolarHBondContact O-N 3.19Å; S7-N10 PolarHBondContact O-N 2.76Å; S7-F11 WeakPolarHBondContact O-CB 3.32Å; S7-F11 PolarHBondContact O-N 2.82Å
8Y79Confident79.1Confident151 Ų151120.1 Ų120.159%0.59260%0.595SS**Hα-helixtrans-64.2-40.8176-75.4-66.7000112.8M4 S5 F11 A12M4-Y8 HydrophobicContact CE-CE2 4.39Å; M4-Y8 HydrophobicContact CG-CD2 4.39Å; M4-Y8 HydrophobicContact CG-CE2 3.84Å; M4-Y8 WeakPolarHBondContact O-CD2 3.48Å; M4-Y8 PolarHBondContact O-N 3.42Å; M4-Y8 HydrophobicContact SD-CE2 4.44Å; S5-Y8 PolarHBondContact O-N 3.25Å; Y8-F11 PolarHBondContact O-N 2.84Å; Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 3.19Å
9R81.7Confident79.3Confident173 Ų173116.7 Ų116.765%0.65359%0.588SS**Hα-helixtrans-62.6-45176-75.3177177.8-143.1-0.8111.6S5 L6 A12 L13S5-R9 WeakPolarHBondContact O-CG 3.3Å; S5-R9 PolarHBondContact O-N 2.78Å; L6-R9 PolarHBondContact O-N 3.3Å; R9-A12 PolarHBondContact O-N 2.9Å; R9-L13 WeakPolarHBondContact O-CG 3.28Å; R9-L13 PolarHBondContact O-N 3.44Å
10N82.7Confident79.5Confident76 Ų76113.1 Ų113.141%0.40657%0.574SS.*Hα-helixtrans-62.6-46.9176.2-73-24.3000110.9L6 S7 A12 L13 Y14L6-N10 WeakPolarHBondContact O-CB 3.45Å; L6-N10 VanDerWaalsContact O-CG 3.28Å; L6-N10 PolarHBondContact O-N 3.04Å; L6-N10 PolarHBondContact O-ND2 3.48Å; S7-N10 PolarHBondContact O-N 2.76Å; N10-A12 VanDerWaalsContact C-N 3.33Å; N10-A12 PolarHBondContact O-N 2.74Å; N10-L13 PolarHBondContact O-N 2.82Å; N10-Y14 VanDerWaalsContact O-CD2 3.26Å; N10-Y14 WeakPolarHBondContact O-CD2 3.44Å; N10-Y14 PolarHBondContact O-N 3.2Å
11F80.2Confident80Confident148 Ų148111.6 Ų111.665%0.64957%0.567SS**Hα-helixtrans-59-43.4176.9-177-98.2000112.4S7 Y8 Y14 S15S7-F11 WeakPolarHBondContact O-CB 3.32Å; S7-F11 PolarHBondContact O-N 2.82Å; Y8-F11 PolarHBondContact O-N 2.84Å; F11-Y14 PolarHBondContact O-N 2.89Å; F11-S15 WeakPolarHBondContact O-CB 3.36Å; F11-S15 PolarHBondContact O-N 3.41Å
12A81.9Confident81.2Confident45 Ų45107.6 Ų107.637%0.37254%0.544SS..Hα-helixtrans-63.7-41.7176.600000112.3Y8 R9 N10 S15 K16Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 3.19Å; R9-A12 PolarHBondContact O-N 2.9Å; N10-A12 VanDerWaalsContact C-N 3.33Å; N10-A12 PolarHBondContact O-N 2.74Å; A12-S15 PolarHBondContact O-N 2.84Å; A12-K16 WeakPolarHBondContact O-CG 3.38Å; A12-K16 PolarHBondContact O-N 3.17Å
13L82.3Confident81.9Confident110 Ų110104.2 Ų104.258%0.57653%0.531SS*.Hα-helixtrans-64.3-44.5175.2-74.3174.7000111.8R9 N10 S15 K16 H17R9-L13 WeakPolarHBondContact O-CG 3.28Å; R9-L13 PolarHBondContact O-N 3.44Å; N10-L13 PolarHBondContact O-N 2.82Å; L13-S15 VanDerWaalsContact C-N 3.34Å; L13-S15 PolarHBondContact O-N 2.89Å; L13-K16 PolarHBondContact O-N 2.82Å; L13-H17 WeakPolarHBondContact O-CB 3.4Å; L13-H17 PolarHBondContact O-N 3.41Å
14Y82.3Confident82.6Confident179 Ų179104 Ų10470%0.70252%0.519SS*.Hα-helixtrans-60.2-43.2175-91-77.2000111.8N10 F11 H17 F18N10-Y14 VanDerWaalsContact O-CD2 3.26Å; N10-Y14 WeakPolarHBondContact O-CD2 3.44Å; N10-Y14 PolarHBondContact O-N 3.2Å; F11-Y14 PolarHBondContact O-N 2.89Å; Y14-H17 PolarHBondContact O-N 3.48Å; Y14-F18 VanDerWaalsContact O-CB 3.28Å; Y14-F18 WeakPolarHBondContact O-CB 3.49Å; Y14-F18 PolarHBondContact O-N 3.49Å
15S83.3Confident83.5Confident67 Ų67102.3 Ų102.347%0.46952%0.516SS..Hα-helixtrans-63.5-43.7177.6-172.70000112.1F11 A12 L13 F18 A19F11-S15 WeakPolarHBondContact O-CB 3.36Å; F11-S15 PolarHBondContact O-N 3.41Å; A12-S15 PolarHBondContact O-N 2.84Å; L13-S15 VanDerWaalsContact C-N 3.34Å; L13-S15 PolarHBondContact O-N 2.89Å; S15-F18 PolarHBondContact O-N 3.22Å; S15-A19 WeakPolarHBondContact O-CB 3.14Å; S15-A19 PolarHBondContact O-N 3.38Å
16K84Confident84.3Confident156 Ų156103.7 Ų103.768%0.67852%0.522SS*.Hα-helixtrans-63.8-44176.1-74.4-179.1178.7-172.60111.6A12 L13 A19 S20A12-K16 WeakPolarHBondContact O-CG 3.38Å; A12-K16 PolarHBondContact O-N 3.17Å; L13-K16 PolarHBondContact O-N 2.82Å; K16-A19 PolarHBondContact O-N 2.86Å; K16-S20 PolarHBondContact O-N 3.26Å
17H85.4Confident85Confident114 Ų11499.8 Ų99.853%0.52851%0.505SS..Hα-helixtrans-64.2-42178.2-169.9-95.4000111.6L13 Y14 S20 L21L13-H17 WeakPolarHBondContact O-CB 3.4Å; L13-H17 PolarHBondContact O-N 3.41Å; Y14-H17 PolarHBondContact O-N 3.48Å; H17-S20 PolarHBondContact O-N 3.3Å; H17-L21 PolarHBondContact O-N 3.39Å
18F82.6Confident85.5Confident120 Ų120101.2 Ų101.253%0.52651%0.506SS..Hα-helixtrans-63.6-40.9176.2-177.2-121.8000112.5Y14 S15 L21 K22Y14-F18 VanDerWaalsContact O-CB 3.28Å; Y14-F18 WeakPolarHBondContact O-CB 3.49Å; Y14-F18 PolarHBondContact O-N 3.49Å; S15-F18 PolarHBondContact O-N 3.22Å; F18-L21 PolarHBondContact O-N 3.31Å; F18-K22 HydrophobicContact CD1-CD 4.41Å; F18-K22 HydrophobicContact CE1-CD 4.22Å; F18-K22 HydrophobicContact CZ-CD 4.46Å; F18-K22 WeakPolarHBondContact O-CG 3.48Å; F18-K22 PolarHBondContact O-N 3.43Å
19A82.9Confident86.1Confident56 Ų5696.7 Ų96.746%0.46350%0.5SS..Hα-helixtrans-61.4-43.7173.600000111.9S15 K16 L21 K22 S23S15-A19 WeakPolarHBondContact O-CB 3.14Å; S15-A19 PolarHBondContact O-N 3.38Å; K16-A19 PolarHBondContact O-N 2.86Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 3.31Å; A19-K22 PolarHBondContact O-N 3.01Å; A19-S23 PolarHBondContact O-N 2.99Å
20S85.1Confident86.5Confident44 Ų4489.6 Ų89.631%0.30848%0.476SS..Hα-helixtrans-62.9-38174.3-178.10000112.6K16 H17 K22 S23 K24K16-S20 PolarHBondContact O-N 3.26Å; H17-S20 PolarHBondContact O-N 3.3Å; S20-K22 VanDerWaalsContact C-N 3.34Å; S20-S23 PolarHBondContact O-OG 2.83Å; S20-K24 WeakPolarHBondContact O-CB 3.16Å; S20-K24 WeakPolarHBondContact O-CD 3.37Å; S20-K24 VanDerWaalsContact O-CG 3.23Å; S20-K24 WeakPolarHBondContact O-CG 3.37Å; S20-K24 PolarHBondContact O-N 3.37Å; S20-K24 VanDerWaalsContact O-N 3.13Å; S20-K24 WeakPolarHBondContact OG-CE 3.22Å; S20-K24 PolarHBondContact OG-NZ 2.94Å
21L89.6Confident86.9Confident83 Ų8392.7 Ų92.744%0.43548%0.483SS..Hα-helixtrans-65.7-40178.1-135.576.5000111.3H17 F18 A19 K24 V25H17-L21 PolarHBondContact O-N 3.39Å; F18-L21 PolarHBondContact O-N 3.31Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 3.31Å; L21-K24 PolarHBondContact O-N 2.95Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.2Å; L21-V25 PolarHBondContact O-N 3.28Å
22K89.2Confident87.5Confident116 Ų11690.2 Ų90.250%0.50448%0.475SS..Hα-helixtrans-60.5-49176.8-75.1174.8173.4174.10112.2F18 A19 S20 K24 V25 V26F18-K22 HydrophobicContact CD1-CD 4.41Å; F18-K22 HydrophobicContact CE1-CD 4.22Å; F18-K22 HydrophobicContact CZ-CD 4.46Å; F18-K22 WeakPolarHBondContact O-CG 3.48Å; F18-K22 PolarHBondContact O-N 3.43Å; A19-K22 PolarHBondContact O-N 3.01Å; S20-K22 VanDerWaalsContact C-N 3.34Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 3.08Å; K22-V25 PolarHBondContact O-N 3.37Å; K22-V26 WeakPolarHBondContact O-CG2 3.18Å; K22-V26 PolarHBondContact O-N 2.93Å; K22-V26 VanDerWaalsContact O-N 3.07Å
23S87.6Confident87.8Confident62 Ų6292.5 Ų92.543%0.43448%0.475SS..Hα-helixtrans-63.1-39.2179.459.10000111.6A19 S20 V26 A27A19-S23 PolarHBondContact O-N 2.99Å; S20-S23 PolarHBondContact O-OG 2.83Å; S23-V26 PolarHBondContact O-N 3.44Å; S23-A27 WeakPolarHBondContact O-CB 3.27Å; S23-A27 PolarHBondContact O-N 3.49Å
24K91.3Very high88Confident122 Ų12287.9 Ų87.953%0.5345%0.45SS..Hα-helixtrans-62.7-43.7175-72.2170.1180171.30113.2S20 L21 K22 A27 L28S20-K24 WeakPolarHBondContact O-CB 3.16Å; S20-K24 WeakPolarHBondContact O-CD 3.37Å; S20-K24 VanDerWaalsContact O-CG 3.23Å; S20-K24 WeakPolarHBondContact O-CG 3.37Å; S20-K24 PolarHBondContact O-N 3.37Å; S20-K24 VanDerWaalsContact O-N 3.13Å; S20-K24 WeakPolarHBondContact OG-CE 3.22Å; S20-K24 PolarHBondContact OG-NZ 2.94Å; L21-K24 PolarHBondContact O-N 2.95Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 3.08Å; K24-A27 PolarHBondContact O-N 3Å; K24-L28 VanDerWaalsContact O-CB 3.28Å; K24-L28 WeakPolarHBondContact O-CB 2.96Å; K24-L28 PolarHBondContact O-N 3.17Å
25V92.7Very high88.2Confident92 Ų9281.5 Ų81.556%0.55844%0.435SS*.Hα-helixtrans-63.1-43.2178.1169.50000110.9L21 K22 L28 A29L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.2Å; L21-V25 PolarHBondContact O-N 3.28Å; K22-V25 PolarHBondContact O-N 3.37Å; V25-L28 PolarHBondContact O-N 2.88Å; V25-A29 PolarHBondContact O-N 3.11Å
26V91.1Very high88.5Confident83 Ų8382.9 Ų82.950%0.50344%0.44SS..Hα-helixtrans-63.1-48.2177.5173.80000110.8K22 S23 L28 A29 V30 L113K22-V26 WeakPolarHBondContact O-CG2 3.18Å; K22-V26 PolarHBondContact O-N 2.93Å; K22-V26 VanDerWaalsContact O-N 3.07Å; S23-V26 PolarHBondContact O-N 3.44Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.06Å; V26-A29 PolarHBondContact O-N 2.78Å; V26-V30 WeakPolarHBondContact O-CG2 3.13Å; V26-V30 PolarHBondContact O-N 3.3Å; V26-V30 VanDerWaalsContact O-N 3.13Å; V26-L113 HydrophobicContact CG1-CD1 4.34Å
27A89.7Confident88.5Confident24 Ų2477 Ų7720%0.19842%0.417CS..Hα-helixtrans-59.6-43.6177.600000112S23 K24 A29 V30 Y31S23-A27 WeakPolarHBondContact O-CB 3.27Å; S23-A27 PolarHBondContact O-N 3.49Å; K24-A27 PolarHBondContact O-N 3Å; A27-A29 PolarHBondContact O-N 2.99Å; A27-V30 PolarHBondContact O-N 3.35Å; A27-Y31 HydrophobicContact CB-CE2 4.3Å; A27-Y31 VanDerWaalsContact O-CD2 3.26Å; A27-Y31 WeakPolarHBondContact O-CD2 3.44Å; A27-Y31 VanDerWaalsContact O-CG 3.3Å; A27-Y31 PolarHBondContact O-N 3.13Å
28L91.6Very high88.3Confident105 Ų10576.6 Ų76.655%0.5542%0.418SS..Hα-helixtrans-62-42177.7-178.9148000112K24 V25 V26 V30 Y31 I32K24-L28 VanDerWaalsContact O-CB 3.28Å; K24-L28 WeakPolarHBondContact O-CB 2.96Å; K24-L28 PolarHBondContact O-N 3.17Å; V25-L28 PolarHBondContact O-N 2.88Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.06Å; L28-V30 PolarHBondContact O-N 3.37Å; L28-Y31 PolarHBondContact O-N 3.5Å; L28-I32 HydrophobicContact CD2-CD1 3.41Å; L28-I32 VanDerWaalsContact CD2-CD1 3.41Å; L28-I32 HydrophobicContact CD2-CG1 4.31Å; L28-I32 HydrophobicContact CG-CD1 4.13Å; L28-I32 WeakPolarHBondContact O-CG1 2.99Å; L28-I32 PolarHBondContact O-N 3.34Å
29A92Very high88.2Confident55 Ų5578.3 Ų78.346%0.45543%0.425SS..Hα-helixtrans-62.5-43.2177.600000112.2V25 V26 A27 I32 Y33V25-A29 PolarHBondContact O-N 3.11Å; V26-A29 PolarHBondContact O-N 2.78Å; A27-A29 PolarHBondContact O-N 2.99Å; A29-I32 PolarHBondContact O-N 3.25Å; A29-Y33 PolarHBondContact O-N 3.46Å
30V90Very high88Confident25 Ų2578.6 Ų78.615%0.15243%0.434CS..Hα-helixtrans-64.8-43.1177.6175.70000110.9V26 A27 L28 Y33 F34 L113V26-V30 WeakPolarHBondContact O-CG2 3.13Å; V26-V30 PolarHBondContact O-N 3.3Å; V26-V30 VanDerWaalsContact O-N 3.13Å; A27-V30 PolarHBondContact O-N 3.35Å; L28-V30 PolarHBondContact O-N 3.37Å; V30-Y33 WeakPolarHBondContact O-CB 3.28Å; V30-Y33 PolarHBondContact O-N 3.41Å; V30-F34 HydrophobicContact CG1-CD2 3.68Å; V30-F34 HydrophobicContact CG1-CE2 3.41Å; V30-F34 VanDerWaalsContact CG1-CE2 3.41Å; V30-F34 WeakPolarHBondContact O-CD2 3.26Å; V30-F34 PolarHBondContact O-N 2.95Å; V30-L113 HydrophobicContact CB-CD2 4.38Å; V30-L113 HydrophobicContact CG1-CD2 4.11Å
31Y90.9Very high87.3Confident140 Ų14081 Ų8155%0.54944%0.441SS..Hα-helixtrans-67-37.2177.6-65.5-31.6000113.5A27 L28 F34 A35 L113A27-Y31 HydrophobicContact CB-CE2 4.3Å; A27-Y31 VanDerWaalsContact O-CD2 3.26Å; A27-Y31 WeakPolarHBondContact O-CD2 3.44Å; A27-Y31 VanDerWaalsContact O-CG 3.3Å; A27-Y31 PolarHBondContact O-N 3.13Å; L28-Y31 PolarHBondContact O-N 3.5Å; Y31-F34 PolarHBondContact O-N 3.38Å; Y31-A35 WeakPolarHBondContact O-CB 3.38Å; Y31-A35 PolarHBondContact O-N 3.07Å; Y31-L113 HydrophobicContact CE1-CD2 4.39Å
32I91.5Very high86.7Confident97 Ų9782.4 Ų82.450%0.49745%0.445SS..Hα-helixtrans-64.2-44.3173.3-70.3174.6000110.5L28 A29 F34 A35 V36L28-I32 HydrophobicContact CD2-CD1 3.41Å; L28-I32 VanDerWaalsContact CD2-CD1 3.41Å; L28-I32 HydrophobicContact CD2-CG1 4.31Å; L28-I32 HydrophobicContact CG-CD1 4.13Å; L28-I32 WeakPolarHBondContact O-CG1 2.99Å; L28-I32 PolarHBondContact O-N 3.34Å; A29-I32 PolarHBondContact O-N 3.25Å; I32-F34 VanDerWaalsContact C-N 3.26Å; I32-F34 PolarHBondContact O-N 2.98Å; I32-A35 PolarHBondContact O-N 3Å; I32-V36 WeakPolarHBondContact O-CG2 3.35Å; I32-V36 PolarHBondContact O-N 3.42Å
33Y89.2Confident85.5Confident92 Ų9282.7 Ų82.736%0.36145%0.446SS..Hα-helixtrans-54.8-46.5174.4174-97000110.6A29 V30 V36 T37 Y109A29-Y33 PolarHBondContact O-N 3.46Å; V30-Y33 WeakPolarHBondContact O-CB 3.28Å; V30-Y33 PolarHBondContact O-N 3.41Å; Y33-V36 PolarHBondContact O-N 3.44Å; Y33-T37 HydrophobicContact CD1-CG2 4.14Å; Y33-T37 HydrophobicContact CD2-CG2 4.43Å; Y33-T37 HydrophobicContact CE1-CG2 3.7Å; Y33-T37 HydrophobicContact CE2-CG2 4.03Å; Y33-T37 HydrophobicContact CG-CG2 4.49Å; Y33-T37 WeakPolarHBondContact O-CG2 3.48Å; Y33-T37 PolarHBondContact O-N 2.93Å; Y33-T37 PolarHBondContact O-OG1 3.37Å; Y33-Y109 HydrophobicContact CD1-CD2 4.2Å; Y33-Y109 HydrophobicContact CD1-CE2 4.4Å; Y33-Y109 AromaticContact CE1-CD2 3.53Å; Y33-Y109 HydrophobicContact CE1-CD2 3.53Å; Y33-Y109 AromaticContact CE1-CE2 3.51Å; Y33-Y109 HydrophobicContact CE1-CE2 3.51Å; Y33-Y109 HydrophobicContact CE1-CG 4.37Å; Y33-Y109 AromaticContact CZ-CE2 3.62Å; Y33-Y109 WeakPolarHBondContact OH-CE2 3.35Å
34F86.7Confident84.4Confident13 Ų1386.1 Ų86.16%0.05746%0.458CS..Hα-helixtrans-66.3-41.6178.6-76.7-56.5000114.2V30 Y31 I32 V36 T37 I38 F106 Y109 N110V30-F34 HydrophobicContact CG1-CD2 3.68Å; V30-F34 HydrophobicContact CG1-CE2 3.41Å; V30-F34 VanDerWaalsContact CG1-CE2 3.41Å; V30-F34 WeakPolarHBondContact O-CD2 3.26Å; V30-F34 PolarHBondContact O-N 2.95Å; Y31-F34 PolarHBondContact O-N 3.38Å; I32-F34 VanDerWaalsContact C-N 3.26Å; I32-F34 PolarHBondContact O-N 2.98Å; F34-V36 VanDerWaalsContact C-N 3.28Å; F34-V36 PolarHBondContact O-N 2.88Å; F34-T37 VanDerWaalsContact CA-OG1 3.32Å; F34-T37 WeakPolarHBondContact CA-OG1 3.43Å; F34-T37 PolarHBondContact O-N 3.48Å; F34-T37 VanDerWaalsContact O-N 3.17Å; F34-T37 PolarHBondContact O-OG1 2.9Å; F34-I38 VanDerWaalsContact O-CG1 3.28Å; F34-I38 WeakPolarHBondContact O-CG1 3.32Å; F34-I38 PolarHBondContact O-N 3.13Å; F34-F106 AromaticContact CD1-CD2 3.75Å; F34-F106 HydrophobicContact CD1-CD2 3.75Å; F34-F106 HydrophobicContact CD1-CE2 4.49Å; F34-F106 VanDerWaalsContact CE1-CA 3.49Å; F34-F106 HydrophobicContact CE1-CB 3.82Å; F34-F106 AromaticContact CE1-CD2 3.51Å; F34-F106 HydrophobicContact CE1-CD2 3.51Å; F34-F106 HydrophobicContact CE1-CE2 4.47Å; F34-F106 HydrophobicContact CE1-CG 4.04Å; F34-F106 HydrophobicContact CE2-CD2 4.35Å; F34-F106 HydrophobicContact CG-CD2 4.29Å; F34-F106 HydrophobicContact CZ-CB 4.25Å; F34-F106 AromaticContact CZ-CD2 3.79Å; F34-F106 HydrophobicContact CZ-CD2 3.79Å; F34-F106 HydrophobicContact CZ-CG 4.24Å; F34-Y109 HydrophobicContact CZ-CD2 4.42Å; F34-Y109 HydrophobicContact CZ-CG 4.44Å; F34-N110 WeakPolarHBondContact CE2-ND2 3.28Å; F34-N110 WeakPolarHBondContact CZ-ND2 3.28Å
35A86.7Confident82.9Confident46 Ų4686.3 Ų86.338%0.3847%0.465SS..Hα-helixtrans-55.5-47.217400000110.8Y31 I32 I38 F39Y31-A35 WeakPolarHBondContact O-CB 3.38Å; Y31-A35 PolarHBondContact O-N 3.07Å; I32-A35 PolarHBondContact O-N 3Å; A35-I38 PolarHBondContact O-N 3.03Å; A35-F39 WeakPolarHBondContact O-CD2 3.29Å; A35-F39 PolarHBondContact O-N 2.95Å
36V88.2Confident81.4Confident96 Ų9685.2 Ų85.258%0.58247%0.465SS*.Hα-helixtrans-63.6-43177175.90000111.6I32 Y33 F34 I38 F39 G40I32-V36 WeakPolarHBondContact O-CG2 3.35Å; I32-V36 PolarHBondContact O-N 3.42Å; Y33-V36 PolarHBondContact O-N 3.44Å; F34-V36 VanDerWaalsContact C-N 3.28Å; F34-V36 PolarHBondContact O-N 2.88Å; V36-I38 PolarHBondContact O-N 3.41Å; V36-F39 PolarHBondContact O-N 2.92Å; V36-G40 PolarHBondContact O-N 3.3Å
37T84.2Confident79.7Confident31 Ų3186.3 Ų86.319%0.1948%0.475CS..Hα-helixtrans-66-36.6178.359.90000112.9Y33 F34 F39 G40 H41Y33-T37 HydrophobicContact CD1-CG2 4.14Å; Y33-T37 HydrophobicContact CD2-CG2 4.43Å; Y33-T37 HydrophobicContact CE1-CG2 3.7Å; Y33-T37 HydrophobicContact CE2-CG2 4.03Å; Y33-T37 HydrophobicContact CG-CG2 4.49Å; Y33-T37 WeakPolarHBondContact O-CG2 3.48Å; Y33-T37 PolarHBondContact O-N 2.93Å; Y33-T37 PolarHBondContact O-OG1 3.37Å; F34-T37 VanDerWaalsContact CA-OG1 3.32Å; F34-T37 WeakPolarHBondContact CA-OG1 3.43Å; F34-T37 PolarHBondContact O-N 3.48Å; F34-T37 VanDerWaalsContact O-N 3.17Å; F34-T37 PolarHBondContact O-OG1 2.9Å; T37-F39 PolarHBondContact O-N 2.86Å; T37-G40 PolarHBondContact O-N 3.06Å; T37-H41 VanDerWaalsContact O-CB 3.3Å; T37-H41 WeakPolarHBondContact O-CB 2.99Å; T37-H41 PolarHBondContact O-N 3.41Å
38I81.6Confident78.2Confident106 Ų10689.5 Ų89.554%0.54450%0.495SS..Hα-helixtrans-65.1-41.2178.5-70.4164.8000110.6F34 A35 V36 Q42F34-I38 VanDerWaalsContact O-CG1 3.28Å; F34-I38 WeakPolarHBondContact O-CG1 3.32Å; F34-I38 PolarHBondContact O-N 3.13Å; A35-I38 PolarHBondContact O-N 3.03Å; V36-I38 PolarHBondContact O-N 3.41Å; I38-Q42 WeakPolarHBondContact O-CG 3.21Å; I38-Q42 PolarHBondContact O-NE2 2.77Å
39F80.6Confident76.3Confident156 Ų15689.6 Ų89.668%0.68450%0.495SS*.Hα-helixtrans-75.3-37.2175.8-72.7-67.7000112.6A35 V36 T37A35-F39 WeakPolarHBondContact O-CD2 3.29Å; A35-F39 PolarHBondContact O-N 2.95Å; V36-F39 PolarHBondContact O-N 2.92Å; T37-F39 PolarHBondContact O-N 2.86Å
40G79.6Confident74.5Confident63 Ų6393 Ų9365%0.64951%0.505SS*.Hα-helixtrans-75.8-26.8-177.100000114.7V36 T37V36-G40 PolarHBondContact O-N 3.3Å; T37-G40 PolarHBondContact O-N 3.06Å
41H70.5Confident72.8Confident95 Ų9595.9 Ų95.944%0.4452%0.524SS..THydrogen-bonded Turntrans-101.810.4179.8-98.7-86.7000114.4T37 F43 T102T37-H41 VanDerWaalsContact O-CB 3.3Å; T37-H41 WeakPolarHBondContact O-CB 2.99Å; T37-H41 PolarHBondContact O-N 3.41Å; H41-F43 PolarHBondContact O-N 3.43Å; H41-T102 HydrophobicContact CB-CG2 3.62Å; H41-T102 VanDerWaalsContact CD2-CG2 3.48Å; H41-T102 WeakPolarHBondContact CD2-CG2 3.47Å; H41-T102 VanDerWaalsContact ND1-CG2 3.28Å; H41-T102 WeakPolarHBondContact ND1-CG2 3.23Å
42Q76.7Confident70.9Confident112 Ų11297 Ų9752%0.52353%0.534SS..SBendtrans-60.4123.4163.4-80.2168.637.100108I38 I44I38-Q42 WeakPolarHBondContact O-CG 3.21Å; I38-Q42 PolarHBondContact O-NE2 2.77Å; Q42-I44 VanDerWaalsContact C-N 3.32Å; Q42-I44 PolarHBondContact O-N 3.29Å
43F63.4Low69Low121 Ų12199.9 Ų99.953%0.53155%0.547SS..  trans-61.899172.8-68.2-79.1000107.3H41 D45 P96 P99H41-F43 PolarHBondContact O-N 3.43Å; F43-D45 PolarHBondContact O-N 3.1Å; F43-P96 WeakPolarHBondContact CE2-O 3.42Å; F43-P96 WeakPolarHBondContact CZ-O 3.43Å; F43-P99 HydrophobicContact CE2-CB 4.11Å; F43-P99 HydrophobicContact CZ-CB 4.27Å
44I64.7Low67.1Low135 Ų13599.5 Ų99.569%0.69256%0.558SS**  trans-63.3120.6169.8-62168.5000105.3Q42 A46 I49Q42-I44 VanDerWaalsContact C-N 3.32Å; Q42-I44 PolarHBondContact O-N 3.29Å; I44-A46 PolarHBondContact O-N 2.82Å; I44-I49 HydrophobicContact CG2-CD1 3.87Å
45D59.8Low65.3Low126 Ų126103.8 Ų103.867%0.67459%0.586SS**  trans-51.6102.7175.5-80.7-30.4000109.5F43 P47F43-D45 PolarHBondContact O-N 3.1Å; D45-P47 VanDerWaalsContact C-N 3.3Å; D45-P47 HydrophobicContact CB-CG 4.5Å
46A60.3Low63.3Low68 Ų68112.1 Ų112.156%0.56261%0.607SS**G310 helixtrans-59.6-23.8176.100000115.2I44 S48I44-A46 PolarHBondContact O-N 2.82Å; A46-S48 VanDerWaalsContact C-N 3.31Å; A46-S48 PolarHBondContact O-N 3.44Å
47P56.9Low61.4Low107 Ų107112.9 Ų112.970%0.69561%0.612SS**G310 helixtrans-74.9-8.3-172.926.8-34.3000115.9D45D45-P47 VanDerWaalsContact C-N 3.3Å; D45-P47 HydrophobicContact CB-CG 4.5Å
48S56.4Low59.5Low91 Ų91118.8 Ų118.864%0.63664%0.642SS**G310 helixtrans-94.1-16.517963.90000114.6A46A46-S48 VanDerWaalsContact C-N 3.31Å; A46-S48 PolarHBondContact O-N 3.44Å
49I52.9Low57.7Low107 Ų107118.5 Ų118.555%0.54965%0.649SS.*THydrogen-bonded Turntrans-105.2-20.4-170.9-35.5177.7000112.1I44I44-I49 HydrophobicContact CG2-CD1 3.87Å
50L54.1Low56Low127 Ų127115.3 Ų115.367%0.66565%0.647SS**G310 helixtrans-72.1-30179.3-129.487.1000116.6H52L50-H52 VanDerWaalsContact C-N 3.31Å; L50-H52 PolarHBondContact O-N 2.97Å
51P54.1Low54Low85 Ų85120.6 Ų120.655%0.55266%0.66SS**G310 helixtrans-76.9-14.8-178.426.7-29.7000114T55P51-T55 PolarHBondContact O-OG1 3.23Å
52H51.5Low52.6Low163 Ų163122.8 Ų122.876%0.75567%0.674SS**G310 helixtrans-93.3-7.1-177.7-139.9-74.4000114.5L50L50-H52 VanDerWaalsContact C-N 3.31Å; L50-H52 PolarHBondContact O-N 2.97Å
53M50.2Low50.9Low157 Ų157123.7 Ų123.777%0.77369%0.688SS**THydrogen-bonded Turntrans-104.8-26.1175.4-157.4159.4-158.900113.2T55 R56M53-T55 VanDerWaalsContact C-N 3.29Å; M53-T55 PolarHBondContact O-N 3.46Å; M53-R56 PolarHBondContact O-N 3.32Å
54S49.8Very low49.8Very low84 Ų84123.9 Ų123.959%0.58770%0.704SS**G310 helixtrans-73-16.3174.7-80.80000114.3R56S54-R56 VanDerWaalsContact C-N 3.33Å
55T48.7Very low48.8Very low103 Ų103122.9 Ų122.963%0.63270%0.704SS**G310 helixtrans-83.1-4.6177.223.60000114.1P51 M53P51-T55 PolarHBondContact O-OG1 3.23Å; M53-T55 VanDerWaalsContact C-N 3.29Å; M53-T55 PolarHBondContact O-N 3.46Å
56R44.5Very low48Very low222 Ų222122.6 Ų122.684%0.83870%0.703SS**G310 helixtrans-100.72.2178.6-109.7-172.9-175.3-148.62.2115.7M53 S54M53-R56 PolarHBondContact O-N 3.32Å; S54-R56 VanDerWaalsContact C-N 3.33Å
57V49.4Very low47.3Very low112 Ų112125.9 Ų125.968%0.67971%0.711SS**SBendtrans-105.8-4.9-179.2-169.70000113.1S59V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 PolarHBondContact O-N 3.42Å
58N43.7Very low46.7Very low154 Ų154127.4 Ų127.482%0.82471%0.713SS**SBendtrans-87.419.7176.8-74.8-8.7000114.6
59S43.6Very low46.3Very low100 Ų100130.5 Ų130.570%0.69972%0.722SS**SBendtrans-145.359.9179.645.50000112.4V57V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 PolarHBondContact O-N 3.42Å
60S44.9Very low45.6Very low90 Ų90133.3 Ų133.363%0.62974%0.738SS**  trans-152.2106.8151.250.70000110.8L62S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 3.37Å
61N37.3Very low44.9Very low173 Ų173136.8 Ų136.893%0.92575%0.748SS**  trans-53.892.1158.5-77.9-45000109.2
62L41.5Very low43.9Very low142 Ų142138.2 Ų138.274%0.74376%0.761SS**  trans-142.1127160.4-87.3106.4000108S60S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 3.37Å
63T42.3Very low43.4Very low131 Ų131136.3 Ų136.380%0.80477%0.766SS**  trans95.654.9-176.672.70000116.7V65T63-V65 PolarHBondContact O-N 3.13Å
64S38.9Very low42.9Very low124 Ų124133.9 Ų133.987%0.86776%0.764SS**  trans-62.790.8138.3157.20000108.2
65V43.7Very low42.7Very low115 Ų115137.6 Ų137.670%0.69778%0.776SS**  trans-121.589.8160.8-178.40000107.2T63 N67T63-V65 PolarHBondContact O-N 3.13Å; V65-N67 PolarHBondContact O-N 3.03Å
66N43.3Very low42.4Very low120 Ų120140 Ų14064%0.64278%0.784SS**  trans-47118.7147.9175.217.8000108.2
67N46.3Very low42.3Very low137 Ų137136.8 Ų136.873%0.73378%0.783SS**  trans-170.6113.3137.2-88.5-21.5000109.3V65 N69V65-N67 PolarHBondContact O-N 3.03Å; N67-N69 PolarHBondContact O-N 3Å
68N43.3Very low42.1Very low139 Ų139138.6 Ų138.674%0.74379%0.789SS**  trans-44.9119.1158.9-50.9-33.5000108.5
69N49Very low42Very low156 Ų156137.2 Ų137.283%0.83479%0.789SS**  trans179.6124.1140.8-82.4-22.1000108N67 F71N67-N69 PolarHBondContact O-N 3Å; N69-F71 PolarHBondContact O-N 3.36Å
70N37Very low41.9Very low165 Ų165136 Ų13688%0.88278%0.784SS**  trans-51.6105.8178.7-55.8-39.5000110.8
71F39.1Very low41.7Very low200 Ų200139.1 Ų139.188%0.87779%0.794SS**  trans-149.9120.8153.1-132-91.7000109.4N69 S73N69-F71 PolarHBondContact O-N 3.36Å; F71-S73 PolarHBondContact O-N 2.99Å
72S34Very low41.8Very low116 Ų116139.1 Ų139.181%0.81179%0.794SS**  trans-55109.1-169.2-48.50000113
73S40.2Very low41.9Very low123 Ų123138.1 Ų138.186%0.8679%0.794SS**  trans-108.484.3163.5600000108.8F71F71-S73 PolarHBondContact O-N 2.99Å
74S40.6Very low42Very low105 Ų105138.8 Ų138.873%0.73479%0.793SS**  trans-119.664.3177.662.20000110.4
75I46.6Very low42.1Very low163 Ų163138.9 Ų138.984%0.83679%0.788SS**SBendtrans-136.963.3166.3-51.7-176.6000108.3
76L41.6Very low42Very low153 Ų153140 Ų14080%0.80180%0.795SS**SBendtrans176.4112.7152.1-128.664.6000105.2
77N41.2Very low41.6Very low155 Ų155142.6 Ų142.683%0.82981%0.809SS**  trans149.3125.9145.6-70.9-21000110
78N45.4Very low41.6Very low150 Ų150138.7 Ų138.780%0.80280%0.801SS**  trans89.3109.3153.3-13519.2000117.6
79P42.2Very low41.6Very low125 Ų125140.1 Ų140.181%0.81281%0.807SS**  trans-91.3102.3167.533.9-23.3000108.8
80A41.4Very low41.3Very low74 Ų74137.6 Ų137.661%0.61280%0.801SS**  trans-163.3116.7159.800000109.3
81N41Very low41.9Very low155 Ų155138.9 Ų138.983%0.82980%0.799SS**  trans66.881.6162.3-56.1-13.4000116.7
82D40.4Very low42.6Very low173 Ų173134.4 Ų134.493%0.92579%0.791SS**  trans-134.998.3145.6-88.4-31.4000108.8
83T43.1Very low43.5Very low121 Ų121140.4 Ų140.474%0.74280%0.795SS**  trans-75.3139.2155.843.20000107.6
84N43.7Very low44.4Very low146 Ų146139.7 Ų139.778%0.78179%0.786SS**SBendtrans101.4112.1166.6-58.1-33000117.8
85V42.2Very low45.2Very low126 Ų126140.2 Ų140.276%0.76478%0.779SS**  trans75.889.6141.2-171.70000115.9
86T41.2Very low46Very low138 Ų138136.8 Ų136.885%0.84777%0.768SS**  trans-153.4118.7130.5-90000109.2G88T86-G88 PolarHBondContact O-N 3.27Å
87N34.5Very low47.2Very low175 Ų175136 Ų13694%0.93676%0.764SS**  trans-66.173167-63.5-25.7000108.5
88G46.1Very low48.7Very low54 Ų54132.6 Ų132.656%0.55775%0.745SS**  trans-101.4126.5163.200000106.5T86 S90T86-G88 PolarHBondContact O-N 3.27Å; G88-S90 VanDerWaalsContact C-N 3.32Å; G88-S90 PolarHBondContact O-N 3.45Å
89I43.1Very low50.1Low169 Ų169127.4 Ų127.487%0.86772%0.72SS**  trans-55.398179.2-48.2165.2000107.2F91I89-F91 PolarHBondContact O-N 2.86Å
90S43.4Very low51.9Low103 Ų103125.8 Ų125.872%0.7271%0.707SS**  trans-68.8106.6178.853.50000106.7G88G88-S90 VanDerWaalsContact C-N 3.32Å; G88-S90 PolarHBondContact O-N 3.45Å
91F49.6Very low53.7Low192 Ų192129.3 Ų129.384%0.84271%0.709SS**  trans-47.2127.1162.9-69.3-77000107.2I89 R93I89-F91 PolarHBondContact O-N 2.86Å; F91-R93 PolarHBondContact O-N 3.27Å
92P53.5Low55.7Low107 Ų107123.3 Ų123.370%0.69568%0.678SS**  trans-57.9115.2-177.522.8-31.4000106.9V94P92-V94 PolarHBondContact O-N 2.88Å
93R51.9Low57.8Low242 Ų242118.8 Ų118.891%0.91365%0.653SS**  trans-59.793.2165.6173.1174.5-92.2-145-4.7105.1F91 L95F91-R93 PolarHBondContact O-N 3.27Å; R93-L95 PolarHBondContact O-N 2.97Å
94V61Low59.8Low108 Ų108116.9 Ų116.966%0.65564%0.638SS**  trans-51.3134.5-176.7-69.90000109P92 P96P92-V94 PolarHBondContact O-N 2.88Å; V94-P96 WeakPolarHBondContact O-CD 3.29Å; V94-P96 VanDerWaalsContact O-N 3.09Å
95L57.1Low61.8Low115 Ų115111 Ų11160%0.60261%0.608SS**  trans-49.4117.3-176.1-78.672.2000109.1R93 N97 I98R93-L95 PolarHBondContact O-N 2.97Å; L95-N97 PolarHBondContact O-N 3.46Å; L95-I98 HydrophobicContact CD2-CD1 4.45Å; L95-I98 PolarHBondContact O-N 3.21Å
96P63.1Low64Low91 Ų91109.9 Ų109.959%0.59159%0.593SS**THydrogen-bonded Turntrans-66-6.5-171.920.9-29000114.1F43 V94F43-P96 WeakPolarHBondContact CE2-O 3.42Å; F43-P96 WeakPolarHBondContact CZ-O 3.43Å; V94-P96 WeakPolarHBondContact O-CD 3.29Å; V94-P96 VanDerWaalsContact O-N 3.09Å
97N65.6Low66.2Low136 Ų136108 Ų10873%0.72758%0.577SS**THydrogen-bonded Turntrans-107.7-13.5-169.2-60.223.8000112.9L95L95-N97 PolarHBondContact O-N 3.46Å
98I72.4Confident68.8Low85 Ų85106.2 Ų106.244%0.43656%0.561SS.*SBendtrans-122.9115.4-177.8-57.6174.6000107.9L95 V100 I103L95-I98 HydrophobicContact CD2-CD1 4.45Å; L95-I98 PolarHBondContact O-N 3.21Å; I98-V100 HydrophobicContact CG2-CG2 4.17Å; I98-V100 PolarHBondContact O-N 3.48Å; I98-I103 HydrophobicContact CG2-CD1 3.61Å
99P76.4Confident70.8Confident41 Ų41108.9 Ų108.927%0.26656%0.555SS.*  trans-77.875.6178.934.9-36.6000109.8F43 F101 T102 I103F43-P99 HydrophobicContact CE2-CB 4.11Å; F43-P99 HydrophobicContact CZ-CB 4.27Å; P99-F101 PolarHBondContact O-N 2.96Å; P99-F101 VanDerWaalsContact O-N 3.17Å; P99-T102 HydrophobicContact CB-CG2 3.89Å; P99-T102 WeakPolarHBondContact CB-OG1 3.37Å; P99-T102 VanDerWaalsContact CG-OG1 3.22Å; P99-T102 WeakPolarHBondContact CG-OG1 2.95Å; P99-T102 PolarHBondContact O-N 3.41Å; P99-T102 PolarHBondContact O-OG1 3.15Å; P99-I103 WeakPolarHBondContact O-CG1 3.22Å; P99-I103 PolarHBondContact O-N 3.28Å
100V79.5Confident72.9Confident91 Ų91102.3 Ų102.355%0.55252%0.522SS*.Hα-helixtrans-53.7-40-176.3177.40000111.8I98 T102 I103 L104I98-V100 HydrophobicContact CG2-CG2 4.17Å; I98-V100 PolarHBondContact O-N 3.48Å; V100-T102 PolarHBondContact O-N 3.45Å; V100-I103 PolarHBondContact O-N 3.27Å; V100-L104 WeakPolarHBondContact O-CB 3.4Å; V100-L104 PolarHBondContact O-N 2.99Å
101F79.8Confident75.1Confident147 Ų14798.9 Ų98.965%0.64550%0.503SS*.Hα-helixtrans-69.2-31.9179.5-171.5-100.1000113.3P99 S105P99-F101 PolarHBondContact O-N 2.96Å; P99-F101 VanDerWaalsContact O-N 3.17Å; F101-S105 WeakPolarHBondContact O-CB 3.44Å; F101-S105 PolarHBondContact O-N 3.39Å; F101-S105 PolarHBondContact O-OG 2.89Å
102T81.6Confident77.1Confident30 Ų3099.5 Ų99.518%0.18450%0.5CS..Hα-helixtrans-76-36.9176.5690000111.2H41 P99 V100 L104 S105 F106H41-T102 HydrophobicContact CB-CG2 3.62Å; H41-T102 VanDerWaalsContact CD2-CG2 3.48Å; H41-T102 WeakPolarHBondContact CD2-CG2 3.47Å; H41-T102 VanDerWaalsContact ND1-CG2 3.28Å; H41-T102 WeakPolarHBondContact ND1-CG2 3.23Å; P99-T102 HydrophobicContact CB-CG2 3.89Å; P99-T102 WeakPolarHBondContact CB-OG1 3.37Å; P99-T102 VanDerWaalsContact CG-OG1 3.22Å; P99-T102 WeakPolarHBondContact CG-OG1 2.95Å; P99-T102 PolarHBondContact O-N 3.41Å; P99-T102 PolarHBondContact O-OG1 3.15Å; V100-T102 PolarHBondContact O-N 3.45Å; T102-L104 VanDerWaalsContact C-N 3.35Å; T102-S105 PolarHBondContact O-N 3.38Å; T102-F106 VanDerWaalsContact O-CB 3.27Å; T102-F106 WeakPolarHBondContact O-CB 3.42Å; T102-F106 PolarHBondContact O-N 3.39Å
103I84.6Confident78.8Confident78 Ų7896 Ų9640%0.448%0.475SS..Hα-helixtrans-63.2-44.6173.4-63.3167.7000109.7I98 P99 V100 F106 I107I98-I103 HydrophobicContact CG2-CD1 3.61Å; P99-I103 WeakPolarHBondContact O-CG1 3.22Å; P99-I103 PolarHBondContact O-N 3.28Å; V100-I103 PolarHBondContact O-N 3.27Å; I103-F106 WeakPolarHBondContact O-CA 3.49Å; I103-F106 WeakPolarHBondContact O-CB 3.28Å; I103-F106 PolarHBondContact O-N 3.08Å; I103-F106 VanDerWaalsContact O-N 3.13Å; I103-I107 HydrophobicContact CG2-CD1 4.12Å; I103-I107 WeakPolarHBondContact O-CG1 3.41Å; I103-I107 PolarHBondContact O-N 3.03Å
104L86.4Confident80.4Confident81 Ų8190.5 Ų90.542%0.42446%0.458SS..Hα-helixtrans-62.1-45.4176.2-176.263.4000111.6V100 T102 F106 I107 F108V100-L104 WeakPolarHBondContact O-CB 3.4Å; V100-L104 PolarHBondContact O-N 2.99Å; T102-L104 VanDerWaalsContact C-N 3.35Å; L104-F106 VanDerWaalsContact C-N 3.25Å; L104-F106 PolarHBondContact O-N 3.33Å; L104-I107 PolarHBondContact O-N 3.01Å; L104-F108 HydrophobicContact CD1-CD2 4.15Å; L104-F108 HydrophobicContact CD1-CE2 3.54Å; L104-F108 HydrophobicContact CD1-CZ 4.12Å; L104-F108 HydrophobicContact CD2-CE2 4.12Å; L104-F108 HydrophobicContact CG-CD2 3.98Å; L104-F108 HydrophobicContact CG-CE2 3.55Å; L104-F108 WeakPolarHBondContact O-CD2 3.42Å; L104-F108 PolarHBondContact O-N 2.9Å; L104-F108 VanDerWaalsContact O-N 3.08Å
105S86.1Confident81.7Confident21 Ų2189.3 Ų89.315%0.14745%0.45CS..Hα-helixtrans-59.5-38.5173.2-60.50000111.6F101 T102 F108 Y109F101-S105 WeakPolarHBondContact O-CB 3.44Å; F101-S105 PolarHBondContact O-N 3.39Å; F101-S105 PolarHBondContact O-OG 2.89Å; T102-S105 PolarHBondContact O-N 3.38Å; S105-F108 PolarHBondContact O-N 3.4Å; S105-Y109 WeakPolarHBondContact O-CD2 3.36Å; S105-Y109 PolarHBondContact O-N 3.42Å; S105-Y109 VanDerWaalsContact O-N 3.11Å
106F86.9Confident83.1Confident103 Ų10386.2 Ų86.245%0.45244%0.441SS..Hα-helixtrans-63-45.3176.8178.3-86.9000112.4F34 T102 I103 L104 F108 N110F34-F106 AromaticContact CD1-CD2 3.75Å; F34-F106 HydrophobicContact CD1-CD2 3.75Å; F34-F106 HydrophobicContact CD1-CE2 4.49Å; F34-F106 VanDerWaalsContact CE1-CA 3.49Å; F34-F106 HydrophobicContact CE1-CB 3.82Å; F34-F106 AromaticContact CE1-CD2 3.51Å; F34-F106 HydrophobicContact CE1-CD2 3.51Å; F34-F106 HydrophobicContact CE1-CE2 4.47Å; F34-F106 HydrophobicContact CE1-CG 4.04Å; F34-F106 HydrophobicContact CE2-CD2 4.35Å; F34-F106 HydrophobicContact CG-CD2 4.29Å; F34-F106 HydrophobicContact CZ-CB 4.25Å; F34-F106 AromaticContact CZ-CD2 3.79Å; F34-F106 HydrophobicContact CZ-CD2 3.79Å; F34-F106 HydrophobicContact CZ-CG 4.24Å; T102-F106 VanDerWaalsContact O-CB 3.27Å; T102-F106 WeakPolarHBondContact O-CB 3.42Å; T102-F106 PolarHBondContact O-N 3.39Å; I103-F106 WeakPolarHBondContact O-CA 3.49Å; I103-F106 WeakPolarHBondContact O-CB 3.28Å; I103-F106 PolarHBondContact O-N 3.08Å; I103-F106 VanDerWaalsContact O-N 3.13Å; L104-F106 VanDerWaalsContact C-N 3.25Å; L104-F106 PolarHBondContact O-N 3.33Å; F106-F108 VanDerWaalsContact C-N 3.34Å; F106-F108 PolarHBondContact O-N 2.89Å; F106-N110 WeakPolarHBondContact CD2-ND2 3.49Å; F106-N110 HydrophobicContact CE1-CB 4.44Å; F106-N110 WeakPolarHBondContact CE2-ND2 3.4Å; F106-N110 VanDerWaalsContact CG-ND2 3.29Å; F106-N110 WeakPolarHBondContact CG-ND2 3.21Å; F106-N110 WeakPolarHBondContact CZ-ND2 3.4Å; F106-N110 VanDerWaalsContact O-CB 3.29Å; F106-N110 WeakPolarHBondContact O-CB 3.27Å; F106-N110 PolarHBondContact O-N 2.9Å; F106-N110 PolarHBondContact O-ND2 3.38Å
107I88.4Confident84.1Confident100 Ų10087.1 Ų87.151%0.51344%0.438SS..Hα-helixtrans-62.4-42.1176.8-67.1165.4000110.6I103 L104 G111I103-I107 HydrophobicContact CG2-CD1 4.12Å; I103-I107 WeakPolarHBondContact O-CG1 3.41Å; I103-I107 PolarHBondContact O-N 3.03Å; L104-I107 PolarHBondContact O-N 3.01Å; I107-G111 WeakPolarHBondContact O-CA 3.34Å; I107-G111 PolarHBondContact O-N 3.37Å
108F88.2Confident84.9Confident137 Ų13782.1 Ų82.160%0.60141%0.414SS*.Hα-helixtrans-65.1-50.7179.8-76.4-58.3000113.2L104 S105 F106 W112L104-F108 HydrophobicContact CD1-CD2 4.15Å; L104-F108 HydrophobicContact CD1-CE2 3.54Å; L104-F108 HydrophobicContact CD1-CZ 4.12Å; L104-F108 HydrophobicContact CD2-CE2 4.12Å; L104-F108 HydrophobicContact CG-CD2 3.98Å; L104-F108 HydrophobicContact CG-CE2 3.55Å; L104-F108 WeakPolarHBondContact O-CD2 3.42Å; L104-F108 PolarHBondContact O-N 2.9Å; L104-F108 VanDerWaalsContact O-N 3.08Å; S105-F108 PolarHBondContact O-N 3.4Å; F106-F108 VanDerWaalsContact C-N 3.34Å; F106-F108 PolarHBondContact O-N 2.89Å; F108-W112 WeakPolarHBondContact O-CB 3.26Å; F108-W112 PolarHBondContact O-N 3.38Å
109Y88.6Confident85.3Confident110 Ų11084 Ų8443%0.43142%0.424SS..Hα-helixtrans-73.9-39-177.4-69.3-70.8000112.7Y33 F34 S105 L113Y33-Y109 HydrophobicContact CD1-CD2 4.2Å; Y33-Y109 HydrophobicContact CD1-CE2 4.4Å; Y33-Y109 AromaticContact CE1-CD2 3.53Å; Y33-Y109 HydrophobicContact CE1-CD2 3.53Å; Y33-Y109 AromaticContact CE1-CE2 3.51Å; Y33-Y109 HydrophobicContact CE1-CE2 3.51Å; Y33-Y109 HydrophobicContact CE1-CG 4.37Å; Y33-Y109 AromaticContact CZ-CE2 3.62Å; Y33-Y109 WeakPolarHBondContact OH-CE2 3.35Å; F34-Y109 HydrophobicContact CZ-CD2 4.42Å; F34-Y109 HydrophobicContact CZ-CG 4.44Å; S105-Y109 WeakPolarHBondContact O-CD2 3.36Å; S105-Y109 PolarHBondContact O-N 3.42Å; S105-Y109 VanDerWaalsContact O-N 3.11Å; Y109-L113 WeakPolarHBondContact O-CB 3.36Å; Y109-L113 PolarHBondContact O-N 3.28Å; Y109-L113 VanDerWaalsContact O-N 3.1Å
110N87.4Confident85.5Confident30 Ų3087.3 Ų87.316%0.1644%0.443CS..Hα-helixtrans-73.3-34.9174.4-70.6-77.1000112.3F34 F106 L113 K114F34-N110 WeakPolarHBondContact CE2-ND2 3.28Å; F34-N110 WeakPolarHBondContact CZ-ND2 3.28Å; F106-N110 WeakPolarHBondContact CD2-ND2 3.49Å; F106-N110 HydrophobicContact CE1-CB 4.44Å; F106-N110 WeakPolarHBondContact CE2-ND2 3.4Å; F106-N110 VanDerWaalsContact CG-ND2 3.29Å; F106-N110 WeakPolarHBondContact CG-ND2 3.21Å; F106-N110 WeakPolarHBondContact CZ-ND2 3.4Å; F106-N110 VanDerWaalsContact O-CB 3.29Å; F106-N110 WeakPolarHBondContact O-CB 3.27Å; F106-N110 PolarHBondContact O-N 2.9Å; F106-N110 PolarHBondContact O-ND2 3.38Å; N110-L113 PolarHBondContact O-N 3.07Å; N110-K114 WeakPolarHBondContact O-CB 3.48Å; N110-K114 WeakPolarHBondContact O-CG 3.43Å; N110-K114 PolarHBondContact O-N 3.46Å
111G90Very high85.5Confident32 Ų3286.3 Ų86.333%0.3344%0.44SS..Hα-helixtrans-62.2-46.1176.100000111.1I107 L113 K114 V115I107-G111 WeakPolarHBondContact O-CA 3.34Å; I107-G111 PolarHBondContact O-N 3.37Å; G111-L113 VanDerWaalsContact C-N 3.34Å; G111-L113 PolarHBondContact O-N 2.87Å; G111-K114 PolarHBondContact O-N 3.21Å; G111-V115 WeakPolarHBondContact O-CG2 3.41Å; G111-V115 PolarHBondContact O-N 2.95Å
112W90.5Very high85.5Confident205 Ų20581.2 Ų81.278%0.77742%0.422SS*.Hα-helixtrans-63.9-40.2174.6-159.7-14.8000111.9F108 K114 V115 A116F108-W112 WeakPolarHBondContact O-CB 3.26Å; F108-W112 PolarHBondContact O-N 3.38Å; W112-K114 VanDerWaalsContact C-N 3.31Å; W112-K114 PolarHBondContact O-N 2.92Å; W112-V115 PolarHBondContact O-N 3.44Å; W112-A116 PolarHBondContact O-N 3.03Å
113L88.9Confident85.6Confident32 Ų3286.9 Ų86.917%0.16844%0.444CS..Hα-helixtrans-60.4-41.4174.1-174.765.5000111.9V26 V30 Y31 Y109 N110 G111 A116 E117V26-L113 HydrophobicContact CG1-CD1 4.34Å; V30-L113 HydrophobicContact CB-CD2 4.38Å; V30-L113 HydrophobicContact CG1-CD2 4.11Å; Y31-L113 HydrophobicContact CE1-CD2 4.39Å; Y109-L113 WeakPolarHBondContact O-CB 3.36Å; Y109-L113 PolarHBondContact O-N 3.28Å; Y109-L113 VanDerWaalsContact O-N 3.1Å; N110-L113 PolarHBondContact O-N 3.07Å; G111-L113 VanDerWaalsContact C-N 3.34Å; G111-L113 PolarHBondContact O-N 2.87Å; L113-A116 WeakPolarHBondContact O-CB 3.49Å; L113-A116 PolarHBondContact O-N 3.4Å; L113-E117 PolarHBondContact O-N 3.49Å
114K86.2Confident85.4Confident128 Ų12884.6 Ų84.656%0.55744%0.44SS*.Hα-helixtrans-66.7-40.7178.5-84.4-76.3170.9-159.70113.1N110 G111 W112 A116 E117 S118N110-K114 WeakPolarHBondContact O-CB 3.48Å; N110-K114 WeakPolarHBondContact O-CG 3.43Å; N110-K114 PolarHBondContact O-N 3.46Å; G111-K114 PolarHBondContact O-N 3.21Å; W112-K114 VanDerWaalsContact C-N 3.31Å; W112-K114 PolarHBondContact O-N 2.92Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.27Å; K114-E117 WeakPolarHBondContact CD-OE2 3.38Å; K114-E117 WeakPolarHBondContact CE-OE2 3.46Å; K114-E117 IonicContact NZ-OE1 3.81Å; K114-E117 IonicContact NZ-OE2 2.73Å; K114-E117 PolarHBondContact NZ-OE2 3.3Å; K114-E117 WeakPolarHBondContact O-CB 3.03Å; K114-E117 PolarHBondContact O-N 3.19Å; K114-E117 VanDerWaalsContact O-N 3.15Å; K114-S118 PolarHBondContact O-N 3.37Å
115V88Confident85.1Confident82 Ų8289 Ų8950%0.49746%0.463SS..Hα-helixtrans-61.8-40.3172.7172.90000110.8G111 W112 E117 S118 L119G111-V115 WeakPolarHBondContact O-CG2 3.41Å; G111-V115 PolarHBondContact O-N 2.95Å; W112-V115 PolarHBondContact O-N 3.44Å; V115-E117 VanDerWaalsContact C-N 3.3Å; V115-E117 PolarHBondContact O-N 3.23Å; V115-S118 PolarHBondContact O-OG 3.28Å; V115-S118 VanDerWaalsContact O-OG 3.08Å; V115-L119 HydrophobicContact CG1-CD1 4.05Å; V115-L119 VanDerWaalsContact O-CG 3.27Å; V115-L119 WeakPolarHBondContact O-CG 3.32Å; V115-L119 PolarHBondContact O-N 3.19Å
116A86.6Confident85Confident50 Ų5093.1 Ų93.141%0.41348%0.484SS..Hα-helixtrans-66-35.1175.800000111.9W112 L113 K114 V120W112-A116 PolarHBondContact O-N 3.03Å; L113-A116 WeakPolarHBondContact O-CB 3.49Å; L113-A116 PolarHBondContact O-N 3.4Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.38Å; A116-V120 PolarHBondContact O-N 2.73Å
117E84.4Confident84.9Confident111 Ų11196.5 Ų96.552%0.51951%0.506SS..Hα-helixtrans-65.8-47.2178-169.6178.9-172.100112.2L113 K114 V115 L119 V120L113-E117 PolarHBondContact O-N 3.49Å; K114-E117 WeakPolarHBondContact CD-OE2 3.38Å; K114-E117 WeakPolarHBondContact CE-OE2 3.46Å; K114-E117 IonicContact NZ-OE1 3.81Å; K114-E117 IonicContact NZ-OE2 2.73Å; K114-E117 PolarHBondContact NZ-OE2 3.3Å; K114-E117 WeakPolarHBondContact O-CB 3.03Å; K114-E117 PolarHBondContact O-N 3.19Å; K114-E117 VanDerWaalsContact O-N 3.15Å; V115-E117 VanDerWaalsContact C-N 3.3Å; V115-E117 PolarHBondContact O-N 3.23Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 3.44Å; E117-V120 WeakPolarHBondContact O-CB 3.4Å; E117-V120 PolarHBondContact O-N 2.98Å
118S82.6Confident84.7Confident31 Ų3198.7 Ų98.722%0.21752%0.519CS..Hα-helixtrans-63.2-36.7177.660.30000112K114 V115 V120K114-S118 PolarHBondContact O-N 3.37Å; V115-S118 PolarHBondContact O-OG 3.28Å; V115-S118 VanDerWaalsContact O-OG 3.08Å; S118-V120 VanDerWaalsContact C-N 3.27Å; S118-V120 PolarHBondContact O-N 3.36Å
119L79.4Confident84.7Confident123 Ų12393 Ų9364%0.64450%0.495SS*.THydrogen-bonded Turntrans-73.5-10.5178.7-66.8174.2000114.6V115 E117 S121V115-L119 HydrophobicContact CG1-CD1 4.05Å; V115-L119 VanDerWaalsContact O-CG 3.27Å; V115-L119 WeakPolarHBondContact O-CG 3.32Å; V115-L119 PolarHBondContact O-N 3.19Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 3.44Å; L119-S121 VanDerWaalsContact C-N 3.29Å; L119-S121 PolarHBondContact O-N 2.87Å
120V81.9Confident84.5Confident111 Ų11194.2 Ų94.267%0.67350%0.503SS*.THydrogen-bonded Turntrans-67.6-33.9177.5-179.40000111.2A116 E117 S118A116-V120 WeakPolarHBondContact O-CG2 3.38Å; A116-V120 PolarHBondContact O-N 2.73Å; E117-V120 WeakPolarHBondContact O-CB 3.4Å; E117-V120 PolarHBondContact O-N 2.98Å; S118-V120 VanDerWaalsContact C-N 3.27Å; S118-V120 PolarHBondContact O-N 3.36Å
121S79.1Confident84.5Confident71 Ų7199.9 Ų99.950%0.49753%0.528SS..  trans-137.474.3-175.1-176.90000111.3L119 F123 G124L119-S121 VanDerWaalsContact C-N 3.29Å; L119-S121 PolarHBondContact O-N 2.87Å; S121-F123 PolarHBondContact O-N 3.33Å; S121-G124 PolarHBondContact O-N 3.42Å; S121-G124 VanDerWaalsContact O-N 3.13Å
122P80.7Confident84.5Confident40 Ų40101.6 Ų101.626%0.2653%0.532SS..THydrogen-bonded Turntrans-69.66.2-174.533.2-39.7000114.4D129 F130P122-D129 WeakPolarHBondContact CA-OD1 3.36Å; P122-F130 HydrophobicContact CB-CD2 3.86Å; P122-F130 HydrophobicContact CB-CE2 3.88Å; P122-F130 WeakPolarHBondContact O-CB 3.25Å; P122-F130 VanDerWaalsContact O-CD2 3.25Å; P122-F130 WeakPolarHBondContact O-CD2 3.4Å; P122-F130 PolarHBondContact O-N 3.06Å
123F81.9Confident84.5Confident148 Ų14896.3 Ų96.365%0.64952%0.522SS*.THydrogen-bonded Turntrans-118.722.1179.3-56.8-61.7000111.4S121 F130 V132S121-F123 PolarHBondContact O-N 3.33Å; F123-F130 HydrophobicContact CD1-CB 4.27Å; F123-F130 HydrophobicContact CD1-CD2 4.27Å; F123-F130 HydrophobicContact CE1-CB 4.49Å; F123-F130 HydrophobicContact CE1-CD2 4.02Å; F123-V132 HydrophobicContact CD1-CG2 3.52Å; F123-V132 HydrophobicContact CE1-CG2 4.14Å; F123-V132 HydrophobicContact CG-CG2 4.44Å
124G81.8Confident84.5Confident31 Ų3197.7 Ų97.732%0.3253%0.533SS..SBendtrans-77.1-149.5176.900000112.4S121 D129S121-G124 PolarHBondContact O-N 3.42Å; S121-G124 VanDerWaalsContact O-N 3.13Å; G124-D129 WeakPolarHBondContact CA-OD2 3.41Å; G124-D129 PolarHBondContact N-OD2 2.9Å
125L80.5Confident84.8Confident173 Ų17396.4 Ų96.491%0.90653%0.532SS*.SBendtrans-119.812.2178.1-64174.6000111D129L125-D129 PolarHBondContact N-OD2 2.91Å; L125-D129 VanDerWaalsContact N-OD2 3.14Å
126D83.6Confident85Confident108 Ų10897.7 Ų97.758%0.57854%0.535SS*.SBendtrans-74.2151.6177.2-65-20000109.1D128 D129D126-D128 PolarHBondContact O-N 3.27Å; D126-D128 VanDerWaalsContact O-N 3.08Å; D126-D129 WeakPolarHBondContact CB-OD2 2.93Å; D126-D129 PolarHBondContact N-OD2 3.14Å; D126-D129 VanDerWaalsContact O-CB 3.3Å; D126-D129 WeakPolarHBondContact O-CB 3.49Å; D126-D129 PolarHBondContact O-N 2.85Å
127D84.1Confident85.4Confident173 Ų173100.3 Ų100.393%0.92554%0.539SS*.THydrogen-bonded Turntrans-60.6-24.3-174.2-65.2-31000113.3
128D84.9Confident85.8Confident147 Ų147103.6 Ų103.679%0.78655%0.547SS*.THydrogen-bonded Turntrans-91.1-2.3178.4-66.2-42.4000113.4D126D126-D128 PolarHBondContact O-N 3.27Å; D126-D128 VanDerWaalsContact O-N 3.08Å
129D88.5Confident86.4Confident18 Ų18106.2 Ų106.210%0.09656%0.558CS.*SBendtrans-77160-179.3-73-33.7000112.4P122 G124 L125 D126 E131P122-D129 WeakPolarHBondContact CA-OD1 3.36Å; G124-D129 WeakPolarHBondContact CA-OD2 3.41Å; G124-D129 PolarHBondContact N-OD2 2.9Å; L125-D129 PolarHBondContact N-OD2 2.91Å; L125-D129 VanDerWaalsContact N-OD2 3.14Å; D126-D129 WeakPolarHBondContact CB-OD2 2.93Å; D126-D129 PolarHBondContact N-OD2 3.14Å; D126-D129 VanDerWaalsContact O-CB 3.3Å; D126-D129 WeakPolarHBondContact O-CB 3.49Å; D126-D129 PolarHBondContact O-N 2.85Å; D129-E131 PolarHBondContact O-N 3.08Å
130F83.8Confident87.1Confident135 Ų135105.3 Ų105.359%0.59255%0.553SS**  trans-66.4124.1173.9-67.1-62.1000110.9P122 F123 V132P122-F130 HydrophobicContact CB-CD2 3.86Å; P122-F130 HydrophobicContact CB-CE2 3.88Å; P122-F130 WeakPolarHBondContact O-CB 3.25Å; P122-F130 VanDerWaalsContact O-CD2 3.25Å; P122-F130 WeakPolarHBondContact O-CD2 3.4Å; P122-F130 PolarHBondContact O-N 3.06Å; F123-F130 HydrophobicContact CD1-CB 4.27Å; F123-F130 HydrophobicContact CD1-CD2 4.27Å; F123-F130 HydrophobicContact CE1-CB 4.49Å; F123-F130 HydrophobicContact CE1-CD2 4.02Å; F130-V132 HydrophobicContact CB-CG2 4.35Å; F130-V132 PolarHBondContact O-N 2.95Å
131E87.6Confident87.6Confident149 Ų149102.6 Ų102.670%0.69654%0.535SS*.  trans-69.776.8169.7-66.3-173-179.600111.4D129 V133 P134 L135D129-E131 PolarHBondContact O-N 3.08Å; E131-V133 VanDerWaalsContact C-N 3.3Å; E131-V133 PolarHBondContact O-N 2.85Å; E131-P134 HydrophobicContact CB-CG 4Å; E131-P134 WeakPolarHBondContact O-CD 3.42Å; E131-L135 WeakPolarHBondContact O-CB 2.96Å; E131-L135 PolarHBondContact O-N 2.86Å
132V89.8Confident88.2Confident67 Ų67101 Ų10141%0.40652%0.523SS..Hα-helixtrans-64.9-34.5-177.2179.70000111.9F123 F130 L135 L136F123-V132 HydrophobicContact CD1-CG2 3.52Å; F123-V132 HydrophobicContact CE1-CG2 4.14Å; F123-V132 HydrophobicContact CG-CG2 4.44Å; F130-V132 HydrophobicContact CB-CG2 4.35Å; F130-V132 PolarHBondContact O-N 2.95Å; V132-L135 PolarHBondContact O-N 3.17Å; V132-L136 VanDerWaalsContact O-CB 3.24Å; V132-L136 WeakPolarHBondContact O-CB 3.3Å; V132-L136 PolarHBondContact O-N 3.4Å
133V89.7Confident88.8Confident95 Ų95101.9 Ų101.958%0.57653%0.53SS*.Hα-helixtrans-66-54.4-177173.20000111.4E131 L135 L136 E137E131-V133 VanDerWaalsContact C-N 3.3Å; E131-V133 PolarHBondContact O-N 2.85Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 2.89Å; V133-L136 PolarHBondContact O-N 3.04Å; V133-E137 WeakPolarHBondContact O-CG 3.39Å; V133-E137 PolarHBondContact O-N 3.29Å
134P89.5Confident89.2Confident61 Ų6198.5 Ų98.540%0.39652%0.518SS..Hα-helixtrans-57.8-38.7172.5-27.636.1000113.7E131 E137 R138E131-P134 HydrophobicContact CB-CG 4Å; E131-P134 WeakPolarHBondContact O-CD 3.42Å; P134-E137 PolarHBondContact O-N 3.13Å; P134-R138 VanDerWaalsContact O-CB 3.32Å; P134-R138 WeakPolarHBondContact O-CB 3.41Å; P134-R138 PolarHBondContact O-N 3.4Å
135L91.5Very high89.5Confident101 Ų10199.6 Ų99.653%0.52951%0.513SS..Hα-helixtrans-64.9-40.8177.7-173.4150.4000111.6E131 V132 V133 N139E131-L135 WeakPolarHBondContact O-CB 2.96Å; E131-L135 PolarHBondContact O-N 2.86Å; V132-L135 PolarHBondContact O-N 3.17Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 2.89Å; L135-N139 VanDerWaalsContact CD2-ND2 3.28Å; L135-N139 WeakPolarHBondContact CD2-ND2 3.24Å; L135-N139 WeakPolarHBondContact O-CB 3.28Å; L135-N139 VanDerWaalsContact O-CG 3.25Å; L135-N139 PolarHBondContact O-N 3.09Å; L135-N139 PolarHBondContact O-ND2 3.35Å
136L92.9Very high89.8Confident108 Ų10896.1 Ų96.157%0.56549%0.491SS*.Hα-helixtrans-64.7-46.5175.6178.463.9000111.3V132 V133 N139 L140V132-L136 VanDerWaalsContact O-CB 3.24Å; V132-L136 WeakPolarHBondContact O-CB 3.3Å; V132-L136 PolarHBondContact O-N 3.4Å; V133-L136 PolarHBondContact O-N 3.04Å; L136-N139 PolarHBondContact O-N 2.9Å; L136-L140 VanDerWaalsContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 PolarHBondContact O-N 3.3Å
137E94.7Very high89.8Confident105 Ų10595 Ų9549%0.49149%0.487SS..Hα-helixtrans-60.2-45.6176.9-72.6-178.8-174.400111.3V133 P134 N139 L140 N141 T248V133-E137 WeakPolarHBondContact O-CG 3.39Å; V133-E137 PolarHBondContact O-N 3.29Å; P134-E137 PolarHBondContact O-N 3.13Å; E137-N139 PolarHBondContact O-N 2.75Å; E137-L140 PolarHBondContact O-N 3.24Å; E137-N141 VanDerWaalsContact O-CB 3.22Å; E137-N141 WeakPolarHBondContact O-CB 3.16Å; E137-N141 PolarHBondContact O-N 3.26Å; E137-T248 WeakPolarHBondContact OE2-CG2 3.45Å
138R94.2Very high89.8Confident181 Ų18191.4 Ų91.468%0.68347%0.468SS*.Hα-helixtrans-57.7-50.1175.1178.3-177.1175.51750.7111.3P134 T142P134-R138 VanDerWaalsContact O-CB 3.32Å; P134-R138 WeakPolarHBondContact O-CB 3.41Å; P134-R138 PolarHBondContact O-N 3.4Å; R138-T142 WeakPolarHBondContact O-CB 3.32Å; R138-T142 PolarHBondContact O-N 2.8Å; R138-T142 PolarHBondContact O-OG1 3.15Å
139N94.2Very high89.4Confident86 Ų8685.6 Ų85.646%0.4644%0.438SS..Hα-helixtrans-66.4-42.1-177.3-74.7-14.1000111.8L135 L136 E137 S143L135-N139 VanDerWaalsContact CD2-ND2 3.28Å; L135-N139 WeakPolarHBondContact CD2-ND2 3.24Å; L135-N139 WeakPolarHBondContact O-CB 3.28Å; L135-N139 VanDerWaalsContact O-CG 3.25Å; L135-N139 PolarHBondContact O-N 3.09Å; L135-N139 PolarHBondContact O-ND2 3.35Å; L136-N139 PolarHBondContact O-N 2.9Å; E137-N139 PolarHBondContact O-N 2.75Å; N139-S143 WeakPolarHBondContact O-CB 3.2Å; N139-S143 PolarHBondContact O-N 2.91Å; N139-S143 PolarHBondContact O-OG 2.82Å; N139-S143 VanDerWaalsContact O-OG 3.06Å
140L93.9Very high88.4Confident103 Ų10388 Ų8854%0.53946%0.456SS..Hα-helixtrans-64.9-48.8178.3-171.7138.7000110.8L136 E137 S143 L144L136-L140 VanDerWaalsContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 PolarHBondContact O-N 3.3Å; E137-L140 PolarHBondContact O-N 3.24Å; L140-S143 PolarHBondContact O-N 3.46Å; L140-S143 PolarHBondContact O-OG 3.2Å; L140-L144 HydrophobicContact CD2-CD1 4.42Å; L140-L144 HydrophobicContact CG-CD1 4.38Å; L140-L144 WeakPolarHBondContact O-CD1 3.18Å; L140-L144 PolarHBondContact O-N 2.97Å
141N92.9Very high87.7Confident55 Ų5587.7 Ų87.729%0.29446%0.459SS..Hα-helixtrans-61.3-46.5177.7-171.331.4000111.8E137 S143 L144 Y145E137-N141 VanDerWaalsContact O-CB 3.22Å; E137-N141 WeakPolarHBondContact O-CB 3.16Å; E137-N141 PolarHBondContact O-N 3.26Å; N141-S143 PolarHBondContact O-N 3.03Å; N141-L144 PolarHBondContact O-N 2.81Å; N141-Y145 WeakPolarHBondContact O-CB 3.32Å; N141-Y145 PolarHBondContact O-N 3.03Å
142T91.5Very high86.8Confident37 Ų3784.5 Ų84.523%0.22745%0.453CS..Hα-helixtrans-63.4-43178.9-57.30000111.3R138 Y145 F146R138-T142 WeakPolarHBondContact O-CB 3.32Å; R138-T142 PolarHBondContact O-N 2.8Å; R138-T142 PolarHBondContact O-OG1 3.15Å; T142-Y145 PolarHBondContact O-N 2.74Å; T142-F146 HydrophobicContact CG2-CD2 3.53Å; T142-F146 HydrophobicContact CG2-CE2 3.35Å; T142-F146 WeakPolarHBondContact O-CD2 3.41Å; T142-F146 PolarHBondContact O-N 3.25Å
143S92.9Very high85.6Confident59 Ų5985.1 Ų85.141%0.41345%0.454SS..Hα-helixtrans-65.6-41.5179.2700000112.7N139 L140 N141 V147N139-S143 WeakPolarHBondContact O-CB 3.2Å; N139-S143 PolarHBondContact O-N 2.91Å; N139-S143 PolarHBondContact O-OG 2.82Å; N139-S143 VanDerWaalsContact O-OG 3.06Å; L140-S143 PolarHBondContact O-N 3.46Å; L140-S143 PolarHBondContact O-OG 3.2Å; N141-S143 PolarHBondContact O-N 3.03Å; S143-V147 VanDerWaalsContact O-CG2 3.32Å; S143-V147 WeakPolarHBondContact O-CG2 3.44Å; S143-V147 PolarHBondContact O-N 3.33Å
144L91.1Very high84.5Confident76 Ų7684.9 Ų84.940%0.39845%0.454SS..Hα-helixtrans-66.2-44.1173.2-98.471.7000110.7L140 N141 F146 V147 D148L140-L144 HydrophobicContact CD2-CD1 4.42Å; L140-L144 HydrophobicContact CG-CD1 4.38Å; L140-L144 WeakPolarHBondContact O-CD1 3.18Å; L140-L144 PolarHBondContact O-N 2.97Å; N141-L144 PolarHBondContact O-N 2.81Å; L144-F146 PolarHBondContact O-N 3.39Å; L144-V147 PolarHBondContact O-N 2.94Å; L144-D148 WeakPolarHBondContact O-CB 3.49Å; L144-D148 PolarHBondContact O-N 2.73Å
145Y88Confident83.3Confident55 Ų5589.1 Ų89.122%0.21647%0.474CS..Hα-helixtrans-57.1-48.8178.4179.1-95.1000111.8N141 T142 V147 D148 T149 P243 L245N141-Y145 WeakPolarHBondContact O-CB 3.32Å; N141-Y145 PolarHBondContact O-N 3.03Å; T142-Y145 PolarHBondContact O-N 2.74Å; Y145-V147 PolarHBondContact O-N 3.42Å; Y145-D148 PolarHBondContact O-N 3.35Å; Y145-T149 HydrophobicContact CD2-CG2 3.71Å; Y145-T149 HydrophobicContact CE1-CG2 4.32Å; Y145-T149 WeakPolarHBondContact CE1-OG1 3.48Å; Y145-T149 HydrophobicContact CE2-CG2 3.39Å; Y145-T149 HydrophobicContact CG-CG2 4.29Å; Y145-T149 VanDerWaalsContact O-CB 3.31Å; Y145-T149 WeakPolarHBondContact O-CB 3.15Å; Y145-T149 WeakPolarHBondContact O-CG2 3.22Å; Y145-T149 PolarHBondContact O-N 2.9Å; Y145-T149 PolarHBondContact O-OG1 3.4Å; Y145-P243 WeakPolarHBondContact OH-CB 3.28Å; Y145-P243 WeakPolarHBondContact OH-CG 3.34Å; Y145-L245 HydrophobicContact CD1-CD2 4.33Å; Y145-L245 HydrophobicContact CD2-CD2 3.58Å; Y145-L245 HydrophobicContact CE2-CD2 4.08Å; Y145-L245 HydrophobicContact CG-CD2 3.74Å
146F85.5Confident81.9Confident100 Ų10088.4 Ų88.444%0.43947%0.47SS..Hα-helixtrans-61.9-43.1177.5-85-67.7000112.3T142 L144 C150T142-F146 HydrophobicContact CG2-CD2 3.53Å; T142-F146 HydrophobicContact CG2-CE2 3.35Å; T142-F146 WeakPolarHBondContact O-CD2 3.41Å; T142-F146 PolarHBondContact O-N 3.25Å; L144-F146 PolarHBondContact O-N 3.39Å; F146-C150 VanDerWaalsContact CD1-SG 3.55Å; F146-C150 WeakPolarHBondContact O-CB 3.47Å; F146-C150 PolarHBondContact O-N 3.36Å
147V85Confident80.8Confident84 Ų8488.6 Ų88.651%0.50947%0.47SS..Hα-helixtrans-69.5-40.9-179.3173.50000111.4S143 L144 Y145 I151S143-V147 VanDerWaalsContact O-CG2 3.32Å; S143-V147 WeakPolarHBondContact O-CG2 3.44Å; S143-V147 PolarHBondContact O-N 3.33Å; L144-V147 PolarHBondContact O-N 2.94Å; Y145-V147 PolarHBondContact O-N 3.42Å; V147-I151 HydrophobicContact CG1-CD1 4.04Å; V147-I151 VanDerWaalsContact O-CB 3.28Å; V147-I151 WeakPolarHBondContact O-CB 3.32Å; V147-I151 WeakPolarHBondContact O-CG1 3.49Å
148D83.9Confident79.6Confident98 Ų9888.2 Ų88.252%0.52448%0.477SS..Hα-helixtrans-75.1-44.8-178.8-75.8-14.8000111.5L144 Y145 S152L144-D148 WeakPolarHBondContact O-CB 3.49Å; L144-D148 PolarHBondContact O-N 2.73Å; Y145-D148 PolarHBondContact O-N 3.35Å; D148-S152 WeakPolarHBondContact O-CB 3.1Å; D148-S152 PolarHBondContact O-N 2.87Å; D148-S152 PolarHBondContact O-OG 3.04Å
149T75.3Confident78.4Confident24 Ų2488 Ų8815%0.14748%0.483CS..Hα-helixtrans-84.6-43.9-174.963.20000113.7Y145 I151 D153Y145-T149 HydrophobicContact CD2-CG2 3.71Å; Y145-T149 HydrophobicContact CE1-CG2 4.32Å; Y145-T149 WeakPolarHBondContact CE1-OG1 3.48Å; Y145-T149 HydrophobicContact CE2-CG2 3.39Å; Y145-T149 HydrophobicContact CG-CG2 4.29Å; Y145-T149 VanDerWaalsContact O-CB 3.31Å; Y145-T149 WeakPolarHBondContact O-CB 3.15Å; Y145-T149 WeakPolarHBondContact O-CG2 3.22Å; Y145-T149 PolarHBondContact O-N 2.9Å; Y145-T149 PolarHBondContact O-OG1 3.4Å; T149-I151 VanDerWaalsContact C-N 3.32Å; T149-I151 PolarHBondContact O-N 2.67Å; T149-D153 PolarHBondContact O-N 2.75Å
150C68Low77.1Confident69 Ų6991.8 Ų91.847%0.46650%0.503SS..Hα-helixtrans-78.1-19.3-173.9-56.70000112.8F146F146-C150 VanDerWaalsContact CD1-SG 3.55Å; F146-C150 WeakPolarHBondContact O-CB 3.47Å; F146-C150 PolarHBondContact O-N 3.36Å
151I69.8Low76Confident129 Ų12992.4 Ų92.466%0.66251%0.511SS*.Hα-helixtrans-94.1-37.1175.1-54.8-179.8000111.2V147 T149V147-I151 HydrophobicContact CG1-CD1 4.04Å; V147-I151 VanDerWaalsContact O-CB 3.28Å; V147-I151 WeakPolarHBondContact O-CB 3.32Å; V147-I151 WeakPolarHBondContact O-CG1 3.49Å; T149-I151 VanDerWaalsContact C-N 3.32Å; T149-I151 PolarHBondContact O-N 2.67Å
152S68.2Low74.9Confident81 Ų8198.9 Ų98.957%0.56654%0.536SS*.Hα-helixtrans-80.5-35.2-176.4-50.10000112.9D148 P154D148-S152 WeakPolarHBondContact O-CB 3.1Å; D148-S152 PolarHBondContact O-N 2.87Å; D148-S152 PolarHBondContact O-OG 3.04Å; S152-P154 VanDerWaalsContact O-CD 3.3Å; S152-P154 WeakPolarHBondContact O-CD 3.13Å
153D65.5Low73.4Confident80 Ų80102 Ų10243%0.42856%0.56SS.*  trans-117.989.8-173.3-64.2-37.1000111T149 N155 L156T149-D153 PolarHBondContact O-N 2.75Å; D153-N155 PolarHBondContact O-N 2.89Å; D153-L156 HydrophobicContact CB-CD1 4.33Å; D153-L156 PolarHBondContact O-N 3.42Å; D153-L156 VanDerWaalsContact O-N 3.11Å
154P65.9Low71.7Confident91 Ų91103 Ų10359%0.59158%0.579SS**G310 helixtrans-62.5-8.5172.926.2-34.2000113.4S152S152-P154 VanDerWaalsContact O-CD 3.3Å; S152-P154 WeakPolarHBondContact O-CD 3.13Å
155N63.9Low69.8Low150 Ų150104.3 Ų104.380%0.80259%0.593SS**G310 helixtrans-86.1-7177.4-58.3-32.3000113.6D153D153-N155 PolarHBondContact O-N 2.89Å
156L63.6Low68.2Low85 Ų85109.6 Ų109.645%0.44562%0.617SS.*G310 helixtrans-85.5-10.5174.7-120.785.3000113.1D153 P158 P243D153-L156 HydrophobicContact CB-CD1 4.33Å; D153-L156 PolarHBondContact O-N 3.42Å; D153-L156 VanDerWaalsContact O-N 3.11Å; L156-P158 WeakPolarHBondContact O-CD 3.14Å; L156-P243 HydrophobicContact CD2-CG 4.42Å
157I68.2Low66.8Low112 Ų112109.7 Ų109.757%0.57463%0.626SS**SBendtrans-71119.3170.5-56.6171.6000105.7E159I157-E159 PolarHBondContact O-N 2.75Å
158P70.5Confident65.5Low97 Ų97111 Ų11163%0.6363%0.63SS**PPolyproline II helixtrans-54.8130177.422.2-31.4000108.3L156 L160L156-P158 WeakPolarHBondContact O-CD 3.14Å; P158-L160 PolarHBondContact O-N 2.97Å
159E68.2Low64.3Low176 Ų176112.3 Ų112.382%0.82264%0.636SS**PPolyproline II helixtrans-49.2135.6175.1-175.2177.1172.800108I157 V161I157-E159 PolarHBondContact O-N 2.75Å; E159-V161 PolarHBondContact O-N 2.87Å
160L66.5Low63.5Low167 Ų167119.3 Ų119.387%0.87467%0.667SS**  trans-65.181.8-179.9-67.1172.8000109.1P158 K162P158-L160 PolarHBondContact O-N 2.97Å; L160-K162 PolarHBondContact O-N 3.06Å
161V71.8Confident63Low115 Ų115121.5 Ų121.570%0.69768%0.678SS**  trans-66.4121.6167.4177.90000105.4E159 S163E159-V161 PolarHBondContact O-N 2.87Å; V161-S163 PolarHBondContact O-N 3.37Å
162K69Low62.4Low192 Ų192121.9 Ų121.984%0.83568%0.681SS**  trans-60.192.9169.7-175.7177.8-177.5-179.10107L160 G164L160-K162 PolarHBondContact O-N 3.06Å; K162-G164 PolarHBondContact O-N 2.87Å
163S61.4Low62Low103 Ų103124.8 Ų124.872%0.7269%0.69SS**  trans-55.7119.2175.1-550000106.9V161 C165V161-S163 PolarHBondContact O-N 3.37Å; S163-C165 PolarHBondContact O-N 3.45Å
164G55.6Low61.7Low78 Ų78128.2 Ų128.280%0.80471%0.709SS**  trans-67.768.6179.600000110.8K162 K166K162-G164 PolarHBondContact O-N 2.87Å; G164-K166 PolarHBondContact O-N 2.87Å
165C51.4Low61.2Low104 Ų104130.3 Ų130.370%0.70372%0.715SS**  trans-74.583.2158172.80000106.1S163 V167S163-C165 PolarHBondContact O-N 3.45Å; C165-V167 VanDerWaalsContact C-N 3.32Å; C165-V167 PolarHBondContact O-N 3.32Å; C165-V167 WeakPolarHBondContact SG-CG2 3.31Å
166K54.2Low60.9Low167 Ų167130.1 Ų130.173%0.72671%0.709SS**  trans-78.994.2160.8-160.9172.1173.2-93.80104.8G164 D168G164-K166 PolarHBondContact O-N 2.87Å; K166-D168 VanDerWaalsContact C-N 3.31Å; K166-D168 IonicContact NZ-OD1 2.75Å; K166-D168 PolarHBondContact NZ-OD1 3.49Å; K166-D168 PolarHBondContact O-N 2.9Å; K166-D168 VanDerWaalsContact O-N 3.09Å
167V56.7Low60.4Low101 Ų101131.5 Ų131.561%0.61272%0.722SS**  trans-68.9102.8162.4-176.10000104.2C165 I169C165-V167 VanDerWaalsContact C-N 3.32Å; C165-V167 PolarHBondContact O-N 3.32Å; C165-V167 WeakPolarHBondContact SG-CG2 3.31Å; V167-I169 HydrophobicContact CB-CG1 4.45Å; V167-I169 HydrophobicContact CG1-CG1 3.81Å; V167-I169 PolarHBondContact O-N 2.95Å
168D57.8Low59.4Low113 Ų113134 Ų13460%0.60474%0.736SS**  trans-65.694.3164.5-65.6-40.2000105.8K166 E170K166-D168 VanDerWaalsContact C-N 3.31Å; K166-D168 IonicContact NZ-OD1 2.75Å; K166-D168 PolarHBondContact NZ-OD1 3.49Å; K166-D168 PolarHBondContact O-N 2.9Å; K166-D168 VanDerWaalsContact O-N 3.09Å; D168-E170 VanDerWaalsContact C-N 3.29Å; D168-E170 PolarHBondContact O-N 3.36Å; D168-E170 VanDerWaalsContact O-N 3.17Å
169I59.6Low58.3Low125 Ų125132.9 Ų132.964%0.64174%0.742SS**  trans-77.495.9164.3-59.4175.6000103.9V167 T171V167-I169 HydrophobicContact CB-CG1 4.45Å; V167-I169 HydrophobicContact CG1-CG1 3.81Å; V167-I169 PolarHBondContact O-N 2.95Å; I169-T171 HydrophobicContact CG2-CG2 4.35Å; I169-T171 PolarHBondContact O-N 3.2Å; I169-T171 PolarHBondContact O-OG1 3.19Å
170E57.8Low57.2Low171 Ų171130.5 Ų130.580%0.79974%0.739SS**  trans-53.598.8157.3-67.4174.8177.200106.2D168 D172D168-E170 VanDerWaalsContact C-N 3.29Å; D168-E170 PolarHBondContact O-N 3.36Å; D168-E170 VanDerWaalsContact O-N 3.17Å; E170-D172 VanDerWaalsContact C-N 3.34Å
171T57.4Low56.1Low115 Ų115127.6 Ų127.671%0.70674%0.74SS**  trans-97.383.5160.46.80000103.7I169 D173I169-T171 HydrophobicContact CG2-CG2 4.35Å; I169-T171 PolarHBondContact O-N 3.2Å; I169-T171 PolarHBondContact O-OG1 3.19Å; T171-D173 PolarHBondContact O-N 3.19Å
172D57.5Low55.1Low136 Ų136127.6 Ų127.673%0.72774%0.74SS**  trans-50.8114.7142.1-70-38.2000105.2E170E170-D172 VanDerWaalsContact C-N 3.34Å
173D60.5Low53.8Low142 Ų142122.7 Ų122.776%0.75973%0.73SS**  trans172.693.5153.1-80.1-25.9000108.9T171T171-D173 PolarHBondContact O-N 3.19Å
174D59.4Low53.2Low152 Ų152125.7 Ų125.781%0.81374%0.738SS**  trans37.6110.7132.3-66.7-34000120.4
175D54.8Low53.1Low136 Ų136126.3 Ų126.373%0.72773%0.73SS**  81.7134.3116.8-144.521.5000121.5
176H57.4Low52.9Low145 Ų145125.9 Ų125.967%0.67172%0.721SS**  trans80.4104.4153.1-8935.9000122.9
177T53.4Low52.4Low115 Ų115128 Ų12871%0.70673%0.725SS**  87.5114.6123.660.40000121.3
178D46.4Very low51.7Low164 Ų164133.6 Ų133.688%0.87774%0.737SS**  trans48.8108.6135.7-74.1-12000121
179G48.1Very low50.9Low73 Ų73132 Ų13275%0.75374%0.735SS**  82.483.1116.300000116.2
180T44.5Very low50Low126 Ų126136.7 Ų136.777%0.77375%0.745SS**  trans-150.3115.7142.5-47.60000108.7V182T180-V182 HydrophobicContact CG2-CG2 4.5Å; T180-V182 PolarHBondContact O-N 3.3Å
181A44.5Very low49.1Very low107 Ų107135.3 Ų135.388%0.88474%0.742SS**  trans-62.9113.3170.800000108.8
182V49.7Very low48.1Very low114 Ų114136.7 Ų136.769%0.69175%0.745SS**  trans-111.8124.9175.8-178.50000108.5T180T180-V182 HydrophobicContact CG2-CG2 4.5Å; T180-V182 PolarHBondContact O-N 3.3Å
183S42.8Very low47.4Very low90 Ų90135.3 Ų135.363%0.62974%0.737SS**  trans-35.8139.7-177.5-71.10000116.3S185S183-S185 PolarHBondContact O-N 3.25Å
184D47.9Very low46.2Very low165 Ų165134.7 Ų134.788%0.88274%0.74SS**G310 helixtrans-58.814.3170.3-74.4-37.6000115.8
185S53.8Low45.3Very low92 Ų92130.3 Ų130.364%0.64373%0.731SS**G310 helixtrans-87.7-9.4-178.457.20000114.9S183S183-S185 PolarHBondContact O-N 3.25Å
186D46.5Very low44.4Very low95 Ų95128.3 Ų128.351%0.50873%0.728SS.*G310 helixtrans-94.34.7-177-76.3-9.9000114.5Y188 S189D186-Y188 PolarHBondContact O-N 3.37Å; D186-S189 WeakPolarHBondContact CA-OG 3.02Å; D186-S189 PolarHBondContact O-N 2.66Å; D186-S189 PolarHBondContact O-OG 3.14Å
187Y44Very low43.5Very low210 Ų210132 Ų13282%0.82474%0.736SS**THydrogen-bonded Turntrans-69.5-17.6-175.3-143.7-93.5000113.9
188Y42.5Very low42.7Very low219 Ų219134.8 Ų134.886%0.85974%0.741SS**THydrogen-bonded Turntrans-104.2-4.8177-84.9-81.6000115D186D186-Y188 PolarHBondContact O-N 3.37Å
189S41.6Very low42.1Very low81 Ų81138.8 Ų138.857%0.56674%0.744SS**THydrogen-bonded Turntrans-100.81.7-175.237.20000114.4D186D186-S189 WeakPolarHBondContact CA-OG 3.02Å; D186-S189 PolarHBondContact O-N 2.66Å; D186-S189 PolarHBondContact O-OG 3.14Å
190R39.2Very low41.6Very low222 Ų222143.6 Ų143.684%0.83874%0.744SS**  trans-112.247.7171.7-64.2-160.4170.1-164.8-1.1113.6N192R190-N192 PolarHBondContact O-N 2.99Å
191L38.5Very low41.2Very low143 Ų143145.4 Ų145.475%0.74975%0.747SS**  trans-71.876.3143.2-100128.6000107.4I193L191-I193 PolarHBondContact O-N 2.96Å
192N37.7Very low40.8Very low144 Ų144144.9 Ų144.977%0.7774%0.737SS**  trans-65.294.7165-148.815.8000104.9R190 P194R190-N192 PolarHBondContact O-N 2.99Å; N192-P194 WeakPolarHBondContact O-CD 3.41Å; N192-P194 VanDerWaalsContact O-N 3.16Å
193I41.7Very low40.2Very low107 Ų107145.9 Ų145.955%0.54974%0.743SS.*  trans-68.6102.4172.4-58.4171.4000105.4L191 G195L191-I193 PolarHBondContact O-N 2.96Å; I193-G195 PolarHBondContact O-N 2.87Å
194P36.7Very low40Very low129 Ų129150.6 Ų150.684%0.83875%0.753SS**THydrogen-bonded Turntrans-79.698.7170.76.117.3000104.2N192N192-P194 WeakPolarHBondContact O-CD 3.41Å; N192-P194 VanDerWaalsContact O-N 3.16Å
195G39.1Very low39.5Very low60 Ų60148 Ų14862%0.61975%0.747SS**THydrogen-bonded Turntrans115.529.6171.700000116.7I193 R197I193-G195 PolarHBondContact O-N 2.87Å; G195-R197 PolarHBondContact O-N 2.72Å
196S35.5Very low38.8Very low94 Ų94153.2 Ų153.266%0.65776%0.758SS**  trans-66.458.7150.354.40000110
197R38.3Very low38.3Very low221 Ų221152.6 Ų152.683%0.83477%0.774SS**  trans-128.891.3167.3-79.7-170.2164.8-143-1.6107.3G195 R199G195-R197 PolarHBondContact O-N 2.72Å; R197-R199 PolarHBondContact O-N 3.33Å
198Q36.9Very low37.9Very low174 Ų174146.8 Ų146.881%0.81378%0.778SS**  trans27.994.4141.6-66.5177.9-29.500115K200Q198-K200 PolarHBondContact O-N 2.9Å
199R35.4Very low37.6Very low248 Ų248140.2 Ų140.294%0.93678%0.777SS**  trans-80.474.3149.5-84.2-167.7-94.1-163.3-4.3108.6R197 I201R197-R199 PolarHBondContact O-N 3.33Å; R199-I201 PolarHBondContact O-N 3Å
200K37Very low37.4Very low175 Ų175141.6 Ų141.676%0.76179%0.787SS**  trans-73.4106.6160.6-145.4177.8-167.9-174.30105.5Q198 S202Q198-K200 PolarHBondContact O-N 2.9Å; K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 3.44Å
201I35Very low37.4Very low164 Ų164142.7 Ų142.784%0.84179%0.791SS**  trans-63.196.4169.4-62.3168000106R199R199-I201 PolarHBondContact O-N 3Å
202S35.9Very low37.1Very low95 Ų95147.7 Ų147.766%0.66480%0.8SS**  trans-109.4100175.6167.30000107.8K200 K204K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 3.44Å; S202-K204 PolarHBondContact O-N 3.34Å
203T38.7Very low37.1Very low135 Ų135144.6 Ų144.683%0.82880%0.801SS**  trans-66.6105.7164.545.20000108.8
204K37.4Very low36.7Very low190 Ų190144.4 Ų144.483%0.82681%0.81SS**  trans-148.1105.3161.8-150.7167.9-177.7177.30112.5S202S202-K204 PolarHBondContact O-N 3.34Å
205S37.6Very low36.7Very low110 Ų110148.4 Ų148.477%0.76981%0.814SS**  trans-50.3133.5160.9163.90000112.2
206K40.3Very low36.7Very low202 Ų202153.3 Ų153.388%0.87883%0.825SS**  trans-177.7111132-107.2175.1175.2179.40111.8
207G36.1Very low36.7Very low82 Ų82154 Ų15485%0.84583%0.83SS**  69.2118.9125.100000120.4
208G35Very low36.9Very low87 Ų87148.4 Ų148.490%0.89782%0.823SS**  trans117.6125.8134.400000115.8
209G35.9Very low36.7Very low81 Ų81146.9 Ų146.984%0.83582%0.82SS**  trans131.976.7157.200000115.9
210S36.6Very low36.7Very low111 Ų111139.4 Ų139.478%0.77681%0.806SS**  trans-58.6140.5164.8176.60000112.5
211R39.1Very low36.6Very low244 Ų244140.3 Ų140.392%0.92181%0.806SS**  -171.8122127.9-99170.7-139.1-131.89.2111.5
212R32.3Very low36.5Very low249 Ų249140.4 Ų140.494%0.9481%0.808SS**  trans-68.9147.7167.3-74173.2164.6-166.1-5.4110.5
213G37.8Very low36.6Very low78 Ų78144.2 Ų144.280%0.80482%0.816SS**  trans-15198.4163.100000109.9
214S34.6Very low36.5Very low103 Ų103144.6 Ų144.672%0.7281%0.812SS**  trans-102.5126.5170.950.40000108.2
215F36.6Very low36.4Very low214 Ų214145.8 Ų145.894%0.93981%0.813SS**  trans-142.1119.5159-84.7-75.6000110.5
216L38.5Very low36Very low162 Ų162148.5 Ų148.585%0.84882%0.818SS**  trans-80.2154.9172.2-79.9151.5000110.5
217S36.8Very low35.7Very low109 Ų109144 Ų14476%0.76281%0.812SS**  trans89.1152.4134.6-870000121.1
218P42.4Very low35.4Very low103 Ų103145.8 Ų145.867%0.66981%0.807SS**  trans-131.4-161.7-130.338.6-17000113.4
219N31.4Very low35.4Very low142 Ų142147.5 Ų147.576%0.75980%0.802SS**  trans97.3110.2162.8-65.1-10.7000117.9
220S34.8Very low35.5Very low92 Ų92151.7 Ų151.764%0.64380%0.8SS**  -152.5108.3129.571.20000111.5
221Y36.4Very low35.1Very low194 Ų194151.5 Ų151.576%0.76179%0.794SS**  trans-2.5124.2143.231-91000117.4
222D33.4Very low34.7Very low165 Ų165149.3 Ų149.388%0.88279%0.792SS**  -161.8118.1126.3-105.9-22.5000109.3
223E36.5Very low34.9Very low176 Ų176144.8 Ų144.882%0.82278%0.781SS**  trans-84.2134.7169.5-65.9-142165.200109.1
224N36.6Very low34.6Very low142 Ų142143.6 Ų143.676%0.75976%0.76SS**  trans177.3136.4137.4-90.8-38.2000111.1
225Y35.5Very low34.7Very low215 Ų215145 Ų14584%0.84377%0.767SS**  trans73.396168.8-63.3-75.8000118.9S227Y225-S227 PolarHBondContact O-N 2.81Å
226L30Very low34.9Very low168 Ų168141.3 Ų141.388%0.8875%0.754SS**  trans-36.2113.4148-166.675.6000112.7
227S32.9Very low34.7Very low107 Ų107138.9 Ų138.975%0.74874%0.742SS**  trans-158.5109.9148.4-77.80000107Y225 P229Y225-S227 PolarHBondContact O-N 2.81Å; S227-P229 WeakPolarHBondContact O-CD 3.35Å
228T30.5Very low34.9Very low119 Ų119141.4 Ų141.473%0.7375%0.747SS**PPolyproline II helixtrans-50.7117.5168.435.70000109.9
229P33.8Very low34.8Very low124 Ų124144.5 Ų144.581%0.80575%0.753SS**PPolyproline II helixtrans-80.6128.5172.630.2-27.3000109.1S227S227-P229 WeakPolarHBondContact O-CD 3.35Å
230H38.4Very low35.6Very low169 Ų169143 Ų14378%0.78275%0.749SS**PPolyproline II helixtrans-58.4135.9170.6-56.3-91.7000110.3
231T29.4Very low36.2Very low107 Ų107144.2 Ų144.266%0.65676%0.755SS**  trans3692.3140.1-45.90000116.4E233T231-E233 VanDerWaalsContact C-N 3.33Å; T231-E233 HydrophobicContact CG2-CB 3.97Å; T231-E233 HydrophobicContact CG2-CG 3.57Å; T231-E233 PolarHBondContact O-N 3.48Å
232F31Very low36.6Very low198 Ų198144.8 Ų144.887%0.86876%0.756SS**  trans-84.386.2150.3-171.4-97.3000107.1S234F232-S234 PolarHBondContact O-N 3.42Å
233E35.5Very low37.6Very low153 Ų153140 Ų14072%0.71573%0.734SS**  trans-70.5111.3167.3-103.6178.5-166.300107.9T231T231-E233 VanDerWaalsContact C-N 3.33Å; T231-E233 HydrophobicContact CG2-CB 3.97Å; T231-E233 HydrophobicContact CG2-CG 3.57Å; T231-E233 PolarHBondContact O-N 3.48Å
234S32.2Very low38.5Very low53 Ų53140.9 Ų140.937%0.37174%0.738SS.*  trans-71.2134.2166.7174.90000108F232 M236F232-S234 PolarHBondContact O-N 3.42Å; S234-M236 PolarHBondContact O-N 2.96Å
235P36.6Very low39.3Very low133 Ų133137 Ų13786%0.86472%0.716SS**THydrogen-bonded Turntrans-7125.4-178.4-16.130.1000115.2
236M40.5Very low40.3Very low136 Ų136131 Ų13167%0.6770%0.704SS**THydrogen-bonded Turntrans-125.628.6-169.3-93-89.96100114.4S234S234-M236 PolarHBondContact O-N 2.96Å
237D35.1Very low41.5Very low112 Ų112129 Ų12960%0.59970%0.701SS**  trans-100.211.8-171.7-55.50.4000113.2E239D237-E239 VanDerWaalsContact C-N 3.33Å; D237-E239 PolarHBondContact O-N 3.21Å
238N39.4Very low42Very low162 Ų162127.3 Ų127.387%0.86669%0.687SS**  trans-92.835.4175.2-87.311.9000113.4T240N238-T240 PolarHBondContact O-N 3.24Å
239E40Very low42.6Very low167 Ų167131 Ų13178%0.7869%0.687SS**PPolyproline II helixtrans-70.5122.8166.9-78.1-165.8146.600109.8D237D237-E239 VanDerWaalsContact C-N 3.33Å; D237-E239 PolarHBondContact O-N 3.21Å
240T48.7Very low42.6Very low112 Ų112134.3 Ų134.369%0.68769%0.692SS**PPolyproline II helixtrans-50126.7176.9-40.80000109.6N238 W242N238-T240 PolarHBondContact O-N 3.24Å; T240-W242 PolarHBondContact O-N 2.99Å; T240-W242 VanDerWaalsContact O-N 3.14Å
241P47.1Very low42.9Very low117 Ų117135.8 Ų135.876%0.7669%0.69SS**PPolyproline II helixtrans-57124.2179.8-22.131.4000109.3
242W45.6Very low43.3Very low205 Ų205141.5 Ų141.578%0.77770%0.7SS**PPolyproline II helixtrans-49.2139.7167.6-71.894.8000108.8T240 E244T240-W242 PolarHBondContact O-N 2.99Å; T240-W242 VanDerWaalsContact O-N 3.14Å; W242-E244 PolarHBondContact O-N 3.28Å
243P55Low43.5Very low66 Ų66137.7 Ų137.743%0.42970%0.695SS.*PPolyproline II helixtrans-53.3117.6178.5-28.739.1000109.5Y145 L156 L245Y145-P243 WeakPolarHBondContact OH-CB 3.28Å; Y145-P243 WeakPolarHBondContact OH-CG 3.34Å; L156-P243 HydrophobicContact CD2-CG 4.42Å; P243-L245 PolarHBondContact O-N 2.8Å
244E54.4Low43.8Very low194 Ų194135.2 Ų135.291%0.90770%0.695SS**  trans-63.3106.4-179.4-163.8171.9-17000107.5W242W242-E244 PolarHBondContact O-N 3.28Å
245L52.8Low44Very low59 Ų59141.6 Ų141.631%0.30972%0.718SS.*  trans-59.7142.4174.9-70.1170.7000108.1Y145 P243Y145-L245 HydrophobicContact CD1-CD2 4.33Å; Y145-L245 HydrophobicContact CD2-CD2 3.58Å; Y145-L245 HydrophobicContact CE2-CD2 4.08Å; Y145-L245 HydrophobicContact CG-CD2 3.74Å; P243-L245 PolarHBondContact O-N 2.8Å
246P56.8Low44.4Very low91 Ų91140.8 Ų140.859%0.59171%0.711SS**  trans-51.1137.4178.521.3-32.3000109.2T248P246-T248 PolarHBondContact O-N 3.31Å
247P54.8Low44.3Very low124 Ų124138.6 Ų138.681%0.80572%0.715SS**  trans-54.7111.6-170.920.9-32.4000108.4R249P247-R249 PolarHBondContact O-N 3.11Å
248T44.4Very low44.1Very low73 Ų73142.7 Ų142.745%0.44873%0.728SS.*  trans-61.3113167.8-380000103.8E137 P246 Q250E137-T248 WeakPolarHBondContact OE2-CG2 3.45Å; P246-T248 PolarHBondContact O-N 3.31Å; T248-Q250 PolarHBondContact O-N 3.19Å
249R42.3Very low44.2Very low197 Ų197143.2 Ų143.274%0.74373%0.729SS**  trans-47.198.4-170.3-171.5-177.3-167.9-162.34108.9P247 R251P247-R249 PolarHBondContact O-N 3.11Å; R249-R251 PolarHBondContact O-N 3.3Å
250Q35.6Very low43.9Very low192 Ų192138.4 Ų138.490%0.89772%0.723SS**  trans-59.495171.6-90.5-173.9-30.300106.3T248 R252T248-Q250 PolarHBondContact O-N 3.19Å; Q250-R252 PolarHBondContact O-N 2.99Å
251R43.6Very low43.2Very low201 Ų201138.7 Ų138.776%0.75873%0.73SS**  trans-74.4117.5168.7-82.7-170.2164.1-164-1.9105.8R249R249-R251 PolarHBondContact O-N 3.3Å
252R38.3Very low42.7Very low226 Ų226141.4 Ų141.485%0.85374%0.737SS**  trans-49.1144.3171.2-66.4-179.8177.8173.8-1.6109.3Q250 S254Q250-R252 PolarHBondContact O-N 2.99Å; R252-S254 PolarHBondContact O-N 3.42Å
253P35.4Very low42.3Very low118 Ų118139.6 Ų139.677%0.76674%0.738SS**  trans-57.5112173.8-14.526.6000108.1H255P253-H255 PolarHBondContact O-N 3.05Å; P253-H255 VanDerWaalsContact O-N 3.15Å
254S42Very low41.5Very low102 Ų102142.9 Ų142.971%0.71376%0.756SS**  trans-80.896.5175.153.40000108.2R252 T256R252-S254 PolarHBondContact O-N 3.42Å; S254-T256 PolarHBondContact O-N 2.61Å
255H36Very low40.4Very low186 Ų186138.8 Ų138.886%0.86176%0.755SS**  trans-59.690.6155.7-80.6-85.9000108.8P253P253-H255 PolarHBondContact O-N 3.05Å; P253-H255 VanDerWaalsContact O-N 3.15Å
256T44.5Very low39.5Very low116 Ų116139 Ų13971%0.71277%0.771SS**  trans-137.3105.9162.144.80000108.5S254S254-T256 PolarHBondContact O-N 2.61Å
257A39.1Very low38.3Very low91 Ų91139.4 Ų139.475%0.75278%0.783SS**  trans-56.4138.7172.500000111.2
258F30.2Very low37.4Very low198 Ų198139.9 Ų139.987%0.86878%0.784SS**  trans29.9121.6147.7-77-93.5000118.7
259I42.2Very low37.1Very low173 Ų173145.1 Ų145.189%0.88780%0.8SS**  -157.5111123.7-93.5144.5000108.7
260G34Very low36.7Very low65 Ų65144.7 Ų144.767%0.6781%0.807SS**  50.3119128.700000121.4
261S34.1Very low36.7Very low118 Ų118139 Ų13983%0.82580%0.799SS**  trans85.7102134.6-130.50000118.3
262L35.4Very low36Very low174 Ų174136.5 Ų136.591%0.91180%0.801SS**  trans-110.496.8151.3-174.166.3000107.9
263E37Very low35.8Very low168 Ų168134.1 Ų134.179%0.78581%0.805SS**  trans-70134170.7-170.1171.6-178.700109.8A265E263-A265 PolarHBondContact O-N 2.84Å
264V37.9Very low35.4Very low134 Ų134137.3 Ų137.381%0.81281%0.806SS**  trans-63.6120.3175.71640000109.2G266V264-G266 PolarHBondContact O-N 2.64Å
265A32.2Very low34.9Very low108 Ų108140.9 Ų140.989%0.89382%0.816SS**  trans-66.291.1172.300000110.8E263E263-A265 PolarHBondContact O-N 2.84Å
266G34.8Very low34.6Very low63 Ų63137.1 Ų137.165%0.64981%0.811SS**  trans-96.5116.8163.300000109.7V264 T268V264-G266 PolarHBondContact O-N 2.64Å; G266-T268 PolarHBondContact O-N 3.47Å
267A30.7Very low34.4Very low101 Ų101137.6 Ų137.684%0.83582%0.816SS**  trans-64.9117-178.200000112.7
268T36.1Very low34Very low133 Ų133137.7 Ų137.782%0.81681%0.811SS**  trans-162.7114.715228.70000111.9G266G266-T268 PolarHBondContact O-N 3.47Å
269K37.8Very low34.3Very low183 Ų183135.3 Ų135.380%0.79681%0.807SS**  trans38116.9145.2-67.6-177.3175.3-178.20120.6
270E33Very low33.8Very low188 Ų188135 Ų13588%0.87980%0.801SS**  trans58121.3130.8-60.4177.6-160.100119.5
271G36Very low33.6Very low72 Ų72136.4 Ų136.474%0.74280%0.801SS**  trans144.468.5155.800000117.1L273G271-L273 PolarHBondContact O-N 3.47Å
272N29.6Very low33.7Very low149 Ų149137.8 Ų137.880%0.79780%0.798SS**  trans11.698.2142.1-167.921000117.9
273L34.4Very low33.8Very low177 Ų177135.7 Ų135.793%0.92779%0.793SS**  trans-145.6127.3152.7-75.5-178.3000111.7G271G271-L273 PolarHBondContact O-N 3.47Å
274K27Very low33.8Very low184 Ų184132.7 Ų132.780%0.879%0.788SS**  trans-113.5112.4-167.9177.8-175.1-172.4-178.40107.7
275L31.6Very low33.6Very low177 Ų177134 Ų13493%0.92779%0.79SS**  trans-146.5108.4168.5-78.2173.6000110.9
276S29.3Very low33.9Very low107 Ų107137.3 Ų137.375%0.74879%0.788SS**  trans-78.9163.9161.1-31.20000109.8
277P39.7Very low33.8Very low126 Ų126142.3 Ų142.382%0.81879%0.794SS**  -138.1142.3125.328.6-11.3000114.8
278S31.3Very low34Very low93 Ų93142.5 Ų142.565%0.6579%0.789SS**  trans-61154163.648.90000114.3
279L35.3Very low34.2Very low149 Ų149141.1 Ų141.178%0.7878%0.783SS**  171.8115.9106.5-90.9168.6000114
280H31.9Very low33.8Very low166 Ų166141 Ų14177%0.76978%0.784SS**  40.3123.2129.7-70.3-42.1000125.6
281S29.7Very low34.2Very low95 Ų95140.3 Ų140.366%0.66479%0.786SS**  85.9119.1119.277.80000120.7
282L37.5Very low34.2Very low147 Ų147142.7 Ų142.777%0.7778%0.777SS**  179.3120.594.7-94.2160.6000113.7
283T36.1Very low34.9Very low130 Ų130140.7 Ų140.780%0.79877%0.772SS**  trans72.8143.8140.241.20000124.8
284P37.1Very low35.1Very low105 Ų105136.9 Ų136.968%0.68275%0.753SS**  trans-117.1168.2-154.741.3-26.2000113.7
285D33.9Very low36Very low161 Ų161132.7 Ų132.786%0.86174%0.743SS**  trans-172.8143.9138.5-96.1-25.5000113.5
286Q39.2Very low36.3Very low178 Ų178130.6 Ų130.683%0.83273%0.732SS**  trans80.385.6166-70.2-170.1-23.700122.3
287Q32.2Very low36.9Very low167 Ų167132.1 Ų132.178%0.7873%0.73SS**  74.491.1108.2-158.5154.2-2.700122.1
288S36.2Very low37Very low105 Ų105131 Ų13173%0.73472%0.721SS**  trans69.5157.2132.370.50000122.6
289P39.5Very low37.4Very low105 Ų105129.9 Ų129.968%0.68271%0.713SS**  cis-126.3147.4-25.233.1-15.3000114.4
290H29.8Very low37.9Very low180 Ų180128.5 Ų128.583%0.83371%0.706SS**  trans33.1109.9142.4-65.9-86.5000120.3
291L40.2Very low38.5Very low174 Ų174122.8 Ų122.891%0.91169%0.691SS**  -162.7134.2129.4-103.5142.8000111.7
292H36.5Very low39.3Very low122 Ų122121.5 Ų121.557%0.56568%0.682SS**  trans-64.4144.1-163.1-155.8-98.5000114.3D294 T295H292-D294 IonicContact CE1-OD2 2.98Å; H292-D294 PolarHBondContact CE1-OD2 3.44Å; H292-D294 WeakPolarHBondContact ND1-CB 3.3Å; H292-D294 VanDerWaalsContact ND1-CG 3.32Å; H292-D294 IonicContact ND1-OD1 3.92Å; H292-D294 IonicContact ND1-OD2 3.21Å; H292-D294 PolarHBondContact ND1-OD2 3.33Å; H292-D294 PolarHBondContact O-N 2.82Å; H292-T295 PolarHBondContact O-OG1 3.44Å
293P43.9Very low39.5Very low106 Ų106118.6 Ų118.669%0.68867%0.674SS**THydrogen-bonded Turntrans-726-176.130.2-34.6000115.4
294D38.4Very low40.1Very low97 Ų97118.5 Ų118.552%0.51967%0.668SS.*THydrogen-bonded Turntrans-97.53-171.5-67.5-4000114.5H292H292-D294 IonicContact CE1-OD2 2.98Å; H292-D294 PolarHBondContact CE1-OD2 3.44Å; H292-D294 WeakPolarHBondContact ND1-CB 3.3Å; H292-D294 VanDerWaalsContact ND1-CG 3.32Å; H292-D294 IonicContact ND1-OD1 3.92Å; H292-D294 IonicContact ND1-OD2 3.21Å; H292-D294 PolarHBondContact ND1-OD2 3.33Å; H292-D294 PolarHBondContact O-N 2.82Å
295T45.9Very low40.7Very low96 Ų96121.1 Ų121.159%0.58967%0.671SS**SBendtrans-90.5-11.8-179.618.50000114.4H292H292-T295 PolarHBondContact O-OG1 3.44Å
296L37.7Very low41.2Very low133 Ų133124.1 Ų124.170%0.69667%0.67SS**Hα-helixtrans-88.4-23.2-177.2-64.6-176.1000114.1T298L296-T298 VanDerWaalsContact C-N 3.33Å
297I42.8Very low41.5Very low140 Ų140121 Ų12172%0.71866%0.659SS**Hα-helixtrans-77.7-23.9179.1-61.5175.3000111
298T42.7Very low42.2Very low102 Ų102115.1 Ų115.163%0.62664%0.643SS**Hα-helixtrans-84.6-22.5179.7-49.50000113.4L296 S302L296-T298 VanDerWaalsContact C-N 3.33Å; T298-S302 WeakPolarHBondContact O-CB 3.34Å; T298-S302 PolarHBondContact O-N 3.36Å; T298-S302 PolarHBondContact O-OG 3.35Å
299S39.8Very low42.8Very low69 Ų69114.9 Ų114.948%0.48364%0.641SS.*Hα-helixtrans-78.8-37.8-1791740000113.1S302 S303S299-S302 PolarHBondContact O-OG 3.37Å; S299-S302 VanDerWaalsContact O-OG 3.13Å; S299-S303 PolarHBondContact O-N 3.48Å
300I44.6Very low43.2Very low121 Ų121119 Ų11962%0.62165%0.648SS**Hα-helixtrans-77-33.1177.3-60.7168.9000110.7L304I300-L304 HydrophobicContact CG2-CD1 4.38Å; I300-L304 WeakPolarHBondContact O-CD1 3.47Å; I300-L304 PolarHBondContact O-N 3.13Å
301G45.6Very low43.9Very low45 Ų45116.5 Ų116.546%0.46464%0.64SS.*Hα-helixtrans-70.2-32174.100000114.4H305G301-H305 PolarHBondContact O-N 3.32Å
302S45.2Very low44Very low68 Ų68119 Ų11948%0.47664%0.637SS.*Hα-helixtrans-80.9-27.9-178.751.30000113.8T298 S299T298-S302 WeakPolarHBondContact O-CB 3.34Å; T298-S302 PolarHBondContact O-N 3.36Å; T298-S302 PolarHBondContact O-OG 3.35Å; S299-S302 PolarHBondContact O-OG 3.37Å; S299-S302 VanDerWaalsContact O-OG 3.13Å
303S43.1Very low44.1Very low86 Ų86122.4 Ų122.460%0.60165%0.65SS**Hα-helixtrans-76-35.7173.6-73.30000113.1S299 R306 L307S299-S303 PolarHBondContact O-N 3.48Å; S303-R306 PolarHBondContact O-N 3.43Å; S303-L307 PolarHBondContact O-N 3.19Å
304L46.9Very low43.7Very low128 Ų128125.3 Ų125.367%0.6766%0.659SS**Hα-helixtrans-68.4-32.6173.9-99.397.2000112.9I300 R306 L307 G308I300-L304 HydrophobicContact CG2-CD1 4.38Å; I300-L304 WeakPolarHBondContact O-CD1 3.47Å; I300-L304 PolarHBondContact O-N 3.13Å; L304-R306 PolarHBondContact O-N 2.78Å; L304-L307 PolarHBondContact O-N 3.31Å; L304-G308 PolarHBondContact O-N 2.98Å
305H50.1Low43.6Very low160 Ų160126.1 Ų126.174%0.74167%0.672SS**Hα-helixtrans-71.2-16.9178.6-148.1-97.2000113.1G301G301-H305 PolarHBondContact O-N 3.32Å
306R45.5Very low43.2Very low224 Ų224129.8 Ų129.885%0.84569%0.688SS**Hα-helixtrans-95.1-19.9178.8-145.6171-173.7-134.62.8113.5S303 L304S303-R306 PolarHBondContact O-N 3.43Å; L304-R306 PolarHBondContact O-N 2.78Å
307L43.7Very low42.8Very low114 Ų114128.9 Ų128.960%0.59769%0.692SS**Hα-helixtrans-88.4-22.4176.6-147.575.9000112.8S303 L304 S309S303-L307 PolarHBondContact O-N 3.19Å; L304-L307 PolarHBondContact O-N 3.31Å; L307-S309 VanDerWaalsContact C-N 3.32Å; L307-S309 PolarHBondContact O-N 3Å
308G47.5Very low42.2Very low43 Ų43133.9 Ų133.944%0.44370%0.702SS.*THydrogen-bonded Turntrans-72.7-10.2-178.200000116.7L304L304-G308 PolarHBondContact O-N 2.98Å
309S50Low41.6Very low99 Ų99134.1 Ų134.169%0.69271%0.708SS**THydrogen-bonded Turntrans-98.6-10.5-173.4-62.50000115.3L307L307-S309 VanDerWaalsContact C-N 3.32Å; L307-S309 PolarHBondContact O-N 3Å
310K46.3Very low41.5Very low191 Ų191138.4 Ų138.483%0.8373%0.725SS**SBendtrans-107.9-3-179-77.3-178.5174.8179.80114.9
311I45.3Very low41.6Very low129 Ų129138.8 Ų138.866%0.66273%0.733SS**SBendtrans-94.3-4.3-178.9-61.3173.4000112.7K313I311-K313 VanDerWaalsContact C-N 3.29Å; I311-K313 PolarHBondContact O-N 3.21Å
312R42.6Very low41.4Very low227 Ų227142.8 Ų142.886%0.85775%0.751SS**THydrogen-bonded Turntrans-82.611177.2-64.2-170.1-166-170.13.2115.6
313K38.3Very low40.8Very low193 Ų193145.1 Ų145.184%0.83976%0.762SS**THydrogen-bonded Turntrans-119.87.7-176.9-115.6174.5-179.9178.20115.3I311I311-K313 VanDerWaalsContact C-N 3.29Å; I311-K313 PolarHBondContact O-N 3.21Å
314L35.1Very low40.5Very low166 Ų166148.4 Ų148.487%0.86977%0.771SS**  trans-134.255.3178.6-64.2172.6000111
315S37.8Very low39.9Very low114 Ų114150.1 Ų150.180%0.79778%0.776SS**  trans-123.977.8159.171.10000108.1
316L37Very low39.2Very low174 Ų174151.4 Ų151.491%0.91178%0.782SS**  trans-75.5124.1169-148.776.9000107.9
317S29Very low38.8Very low114 Ų114147.3 Ų147.380%0.79778%0.776SS**SBendtrans67.984.8149-151.80000119
318R30.5Very low38.3Very low245 Ų245147.3 Ų147.393%0.92578%0.781SS**  trans-164.374.7138.1-157.1164.3176.7-168.9-2.4111.6
319S30.7Very low37.8Very low107 Ų107153.4 Ų153.475%0.74880%0.803SS**  trans-98.4110.4168.857.80000109.6
320N37.9Very low37.1Very low159 Ų159155.7 Ų155.785%0.8581%0.807SS**  trans-14093.2160.9-92.3-9.8000107.6
321T45.8Very low36.6Very low128 Ų128152.8 Ų152.879%0.78580%0.801SS**  trans-128.2118.1163.448.60000106.8
322P41.3Very low36.1Very low129 Ų129152.1 Ų152.184%0.83880%0.803SS**  trans-78.4132.5175.530.8-29.9000110.3
323V32.4Very low35.8Very low117 Ų117150.1 Ų150.171%0.70980%0.803SS**  trans-63.1129.5173.4173.60000110
324I37.9Very low35.6Very low155 Ų155146 Ų14680%0.79580%0.799SS**  trans-117.4106.7155.5-64.9-178.8000106.9
325H33.5Very low35.9Very low164 Ų164143.1 Ų143.176%0.75979%0.79SS**  trans-68.2122.1157.8-98.4-105.2000107.5
326E36Very low35.8Very low188 Ų188144.1 Ų144.188%0.87979%0.786SS**  trans-122121155.4-15617317800108.5
327L36.4Very low35.7Very low138 Ų138146.3 Ų146.372%0.72378%0.783SS**  trans-73.5136.7-175.4-76.1155.3000109.8
328T33.9Very low36.1Very low114 Ų114145.8 Ų145.870%0.69978%0.779SS**  trans41.5107.1137.863.70000117.2
329N35.6Very low36.3Very low170 Ų170140.4 Ų140.491%0.90977%0.773SS**  -152.2122119.2-112.5-13.4000112
330L36.8Very low36.3Very low147 Ų147140.3 Ų140.377%0.7777%0.772SS**  trans-73.9149.2173.3-87155000109.9
331N34.5Very low36.2Very low130 Ų130138.7 Ų138.770%0.69577%0.768SS**  trans89124.5144.2-71.3-3.8000119.8
332T36.1Very low35.7Very low115 Ų115138.4 Ų138.471%0.70677%0.766SS**  trans88.498.4132.748.70000118
333E36Very low35.3Very low185 Ų185136.9 Ų136.986%0.86476%0.758SS**  98.9105.9116-138.4154.9144.200117.7
334S34Very low35.6Very low106 Ų106135.8 Ų135.874%0.74176%0.755SS**  trans-60.7-175.9157.9-48.30000112.2
335P40.5Very low35.7Very low107 Ų107136.5 Ų136.570%0.69576%0.755SS**  cis-129.2-167.7-36.225.5-2.3000111.2
336D36Very low36Very low134 Ų134134.6 Ų134.672%0.71775%0.751SS**  trans102.7114151.8-69.7-14.3000121.1
337R36.1Very low36.2Very low221 Ų221134 Ų13483%0.83475%0.746SS**  83.3124.9129.6-78.6-177.9170.2176.8-1.4121.7
338S36.8Very low36.5Very low103 Ų103134.1 Ų134.172%0.7275%0.746SS**  trans69.997.1137590000120.1
339V33.2Very low36.9Very low131 Ų131135.8 Ų135.879%0.79475%0.751SS**  36128.4112.8-176.10000118.9
340S32.1Very low37.2Very low105 Ų105132.2 Ų132.273%0.73474%0.739SS**  trans77.8148.5152.572.30000117.6
341V34.9Very low37.9Very low125 Ų125133.5 Ų133.576%0.75874%0.738SS**  cis-167.4166.2-9.4139.80000102.9
342V35.5Very low38.6Very low123 Ų123133.7 Ų133.775%0.74574%0.739SS**  trans76.896.7155.2-1730000120.2
343S32.7Very low39.2Very low96 Ų96136.9 Ų136.967%0.67178%0.777SS**  59.6126.4113.3127.50000123.1
344S38.9Very low39.4Very low94 Ų94134.5 Ų134.566%0.65777%0.773SS**  87.4134.2129.1-57.80000119.9
345Q39.8Very low39.7Very low170 Ų170135.9 Ų135.979%0.79478%0.775SS**  trans73.6139.1156.7-71.5172.4-47.900115.6
346D39.8Very low39.6Very low125 Ų125137.6 Ų137.667%0.66878%0.779SS**  cis-160.9142.36.7-111.1-38.5000108.2
347K40.9Very low39.8Very low176 Ų176137.8 Ų137.877%0.76578%0.783SS**  trans29.3121.4130.1-115.2-178.4-173.7-165.60118.7
348L43.4Very low40.1Very low139 Ų139132.6 Ų132.673%0.72878%0.78SS**  160.5131.9106.2-90.4158.3000112.1
349N41Very low40.3Very low150 Ų150134.5 Ų134.580%0.80278%0.783SS**  trans47.5147.4137.8-86.23.2000119.6
350S43.3Very low40.8Very low94 Ų94134.8 Ų134.866%0.65778%0.783SS**  cis176.4128.77.4156.90000103.5
351K49.6Very low41.5Very low174 Ų174137.1 Ų137.176%0.75779%0.786SS**  trans44.4137.8135.3-104.4-176.5154.9178.20122.6
352D50.3Low42Very low134 Ų134138.1 Ų138.172%0.71779%0.789SS**  trans87.397.6141-56.9-27.4000118.3
353A49Very low42.6Very low182 Ų182139.5 Ų139.5100%1.50479%0.793SS**  -166.40122.900000109.9

Retrieved 353 of 353 residues in 43.1 ms (Link to these results)