A0A077ZBP7_TRITR Loading...

RabGAP-TBC and TLD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBP7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 482 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
1T32.1Very low35.5Very low184 Ų184116.2 Ų116.2100%1.12969%0.685SS**  088.6028.70000109.3V3T1-V3 PolarHBondContact O-N 3Å
2C26.2Very low36.5Very low138 Ų138117.3 Ų117.393%0.93268%0.675SS**  trans-80.693.3-178.6-650000110.1
3V28.9Very low39Very low118 Ų118121.2 Ų121.272%0.71567%0.672SS**  trans-83.3113.5171.4-179.80000108.1T1 V5T1-V3 PolarHBondContact O-N 3Å; V3-V5 PolarHBondContact O-N 3.31Å
4R26.6Very low41.6Very low246 Ų246119.6 Ų119.693%0.92866%0.655SS**  trans-54.4109.6162.1-84.7177.7171.6159-2.9107.8
5V32.2Very low44Very low84 Ų84120.1 Ų120.151%0.50965%0.648SS.*  trans-82.4117176.6-179.50000108.4V3 G7 K9 A10V3-V5 PolarHBondContact O-N 3.31Å; V5-G7 PolarHBondContact O-N 3.49Å; V5-K9 HydrophobicContact CG1-CB 4.28Å; V5-A10 HydrophobicContact CG1-CB 4.39Å
6D34.7Very low46.4Very low101 Ų101118.7 Ų118.754%0.5464%0.636SS.*  trans-47.9130.6170.5-74.6-44.6000111.6S8 K9 A10D6-S8 PolarHBondContact O-N 2.9Å; D6-K9 PolarHBondContact O-N 3.26Å; D6-A10 PolarHBondContact O-N 2.53Å
7G37.1Very low48.6Very low61 Ų61115.2 Ų115.263%0.62962%0.617SS**Hα-helixtrans-57.4-24.7-176.300000114.8V5 S11V5-G7 PolarHBondContact O-N 3.49Å; G7-S11 PolarHBondContact O-N 3.39Å; G7-S11 VanDerWaalsContact O-N 3.17Å
8S37.4Very low50.7Low89 Ų89111.4 Ų111.462%0.62259%0.594SS**Hα-helixtrans-70-41.7175.258.70000112.7D6 S11 F12D6-S8 PolarHBondContact O-N 2.9Å; S8-S11 PolarHBondContact O-N 3.3Å; S8-F12 PolarHBondContact O-N 2.84Å; S8-F12 VanDerWaalsContact O-N 3.09Å
9K38.9Very low52.5Low126 Ų126110.1 Ų110.155%0.54859%0.587SS.*Hα-helixtrans-68.1-36.4176.9-74.7177.2179.1164.20111.6V5 D6 R13V5-K9 HydrophobicContact CG1-CB 4.28Å; D6-K9 PolarHBondContact O-N 3.26Å; K9-R13 WeakPolarHBondContact O-CG 3.16Å; K9-R13 PolarHBondContact O-N 3.14Å
10A44.8Very low54.3Low49 Ų49108.5 Ų108.541%0.40558%0.575SS.*Hα-helixtrans-64.8-44.7175.700000111.9V5 D6 F12 R13 F14V5-A10 HydrophobicContact CG1-CB 4.39Å; D6-A10 PolarHBondContact O-N 2.53Å; A10-F12 PolarHBondContact O-N 3.34Å; A10-R13 PolarHBondContact O-N 3.37Å; A10-F14 WeakPolarHBondContact O-CB 3.38Å; A10-F14 PolarHBondContact O-N 3.41Å
11S52Low55.9Low82 Ų82103.4 Ų103.457%0.57355%0.548SS*.Hα-helixtrans-63.6-40.5177.1-168.70000112.6G7 S8 F14 F15G7-S11 PolarHBondContact O-N 3.39Å; G7-S11 VanDerWaalsContact O-N 3.17Å; S8-S11 PolarHBondContact O-N 3.3Å; S11-F14 WeakPolarHBondContact O-CB 3.38Å; S11-F14 PolarHBondContact O-N 2.99Å; S11-F15 PolarHBondContact O-N 2.98Å
12F47.4Very low58.4Low129 Ų12998.3 Ų98.357%0.56651%0.508SS*.Hα-helixtrans-64-47.3176.4-176.1-105.6000112.4S8 A10 F14 F15 Q16S8-F12 PolarHBondContact O-N 2.84Å; S8-F12 VanDerWaalsContact O-N 3.09Å; A10-F12 PolarHBondContact O-N 3.34Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 3.18Å; F12-F15 PolarHBondContact O-N 2.96Å; F12-Q16 HydrophobicContact CD1-CG 4.4Å; F12-Q16 HydrophobicContact CE1-CG 4.12Å; F12-Q16 HydrophobicContact CZ-CG 4.22Å; F12-Q16 WeakPolarHBondContact O-CG 3.38Å; F12-Q16 PolarHBondContact O-N 3.34Å
13R69.4Low61.1Low168 Ų16896.1 Ų96.163%0.63449%0.49SS*.Hα-helixtrans-60.1-39.9175.1-74.5-178.7-179.9-175.2-0.1112K9 A10 F15 Q16 L17K9-R13 WeakPolarHBondContact O-CG 3.16Å; K9-R13 PolarHBondContact O-N 3.14Å; A10-R13 PolarHBondContact O-N 3.37Å; R13-F15 PolarHBondContact O-N 3.12Å; R13-Q16 PolarHBondContact O-N 3.1Å; R13-L17 WeakPolarHBondContact O-CB 3.27Å; R13-L17 PolarHBondContact O-N 2.96Å
14F74.4Confident63.8Low100 Ų10093 Ų9344%0.43947%0.469SS..Hα-helixtrans-60-45.4175.8-177.9-85.4000112A10 S11 F12 K18 F207A10-F14 WeakPolarHBondContact O-CB 3.38Å; A10-F14 PolarHBondContact O-N 3.41Å; S11-F14 WeakPolarHBondContact O-CB 3.38Å; S11-F14 PolarHBondContact O-N 2.99Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 3.18Å; F14-K18 HydrophobicContact CE1-CD 4.48Å; F14-K18 WeakPolarHBondContact O-CB 3.41Å; F14-K18 PolarHBondContact O-N 3.33Å; F14-F207 HydrophobicContact CD1-CE1 4.31Å; F14-F207 HydrophobicContact CD1-CZ 4.33Å; F14-F207 AromaticContact CD2-CE1 3.93Å; F14-F207 HydrophobicContact CD2-CE1 3.93Å; F14-F207 HydrophobicContact CD2-CE2 4.15Å; F14-F207 AromaticContact CD2-CZ 3.32Å; F14-F207 HydrophobicContact CD2-CZ 3.32Å; F14-F207 HydrophobicContact CE1-CE1 4Å; F14-F207 HydrophobicContact CE1-CZ 4.35Å; F14-F207 AromaticContact CE2-CE1 3.58Å; F14-F207 HydrophobicContact CE2-CE1 3.58Å; F14-F207 HydrophobicContact CE2-CE2 4.13Å; F14-F207 AromaticContact CE2-CZ 3.34Å; F14-F207 HydrophobicContact CE2-CZ 3.34Å; F14-F207 HydrophobicContact CG-CE1 4.27Å; F14-F207 AromaticContact CG-CZ 3.83Å; F14-F207 HydrophobicContact CG-CZ 3.83Å; F14-F207 AromaticContact CZ-CE1 3.61Å; F14-F207 HydrophobicContact CZ-CE1 3.61Å; F14-F207 AromaticContact CZ-CZ 3.89Å; F14-F207 HydrophobicContact CZ-CZ 3.89Å
15F78.3Confident66.6Low126 Ų12686.9 Ų86.955%0.55346%0.455SS*.Hα-helixtrans-65.9-42.2178-177.8-95.8000112.4S11 F12 R13 K18 L19S11-F15 PolarHBondContact O-N 2.98Å; F12-F15 PolarHBondContact O-N 2.96Å; R13-F15 PolarHBondContact O-N 3.12Å; F15-K18 WeakPolarHBondContact O-CB 3.49Å; F15-K18 PolarHBondContact O-N 3.43Å; F15-L19 HydrophobicContact CE1-CD2 4.45Å; F15-L19 WeakPolarHBondContact O-CB 3.45Å; F15-L19 PolarHBondContact O-N 3.02Å
16Q82.6Confident69.3Low98 Ų9884.4 Ų84.446%0.45844%0.437SS..Hα-helixtrans-62-46.6177.6-73.4-173-33.600112.1F12 R13 K18 L19 F20F12-Q16 HydrophobicContact CD1-CG 4.4Å; F12-Q16 HydrophobicContact CE1-CG 4.12Å; F12-Q16 HydrophobicContact CZ-CG 4.22Å; F12-Q16 WeakPolarHBondContact O-CG 3.38Å; F12-Q16 PolarHBondContact O-N 3.34Å; R13-Q16 PolarHBondContact O-N 3.1Å; Q16-K18 PolarHBondContact O-N 3.29Å; Q16-L19 PolarHBondContact O-N 2.63Å; Q16-F20 VanDerWaalsContact O-CB 3.28Å; Q16-F20 WeakPolarHBondContact O-CB 3.47Å; Q16-F20 PolarHBondContact O-N 2.83Å
17L83.9Confident71.9Confident60 Ų6083.4 Ų83.431%0.31444%0.437SS..Hα-helixtrans-64.9-40.6178.5-176.956.2000111.6R13 L19 F20 L21 F207R13-L17 WeakPolarHBondContact O-CB 3.27Å; R13-L17 PolarHBondContact O-N 2.96Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 2.9Å; L17-F20 HydrophobicContact CD1-CD1 4.13Å; L17-F20 WeakPolarHBondContact O-CB 3.48Å; L17-F20 PolarHBondContact O-N 3.28Å; L17-L21 HydrophobicContact CD1-CD1 4.38Å; L17-L21 HydrophobicContact CD1-CG 4.3Å; L17-L21 HydrophobicContact CG-CD1 4.23Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 2.88Å; L17-F207 HydrophobicContact CB-CE2 4.38Å; L17-F207 HydrophobicContact CB-CZ 4.25Å; L17-F207 HydrophobicContact CD2-CD2 3.9Å; L17-F207 HydrophobicContact CD2-CE2 3.5Å; L17-F207 VanDerWaalsContact CD2-CE2 3.5Å; L17-F207 HydrophobicContact CD2-CZ 4.19Å; L17-F207 HydrophobicContact CG-CD2 4.26Å; L17-F207 HydrophobicContact CG-CE2 3.98Å; L17-F207 HydrophobicContact CG-CZ 4.29Å
18K85.1Confident74.3Confident46 Ų4682.4 Ų82.420%0.242%0.421CS..Hα-helixtrans-58-46.4172.9-173.3-179.3169.5-172.20112.3F14 F15 Q16 R22 F207 E208F14-K18 HydrophobicContact CE1-CD 4.48Å; F14-K18 WeakPolarHBondContact O-CB 3.41Å; F14-K18 PolarHBondContact O-N 3.33Å; F15-K18 WeakPolarHBondContact O-CB 3.49Å; F15-K18 PolarHBondContact O-N 3.43Å; Q16-K18 PolarHBondContact O-N 3.29Å; K18-R22 VanDerWaalsContact O-CG 3.29Å; K18-R22 WeakPolarHBondContact O-CG 3.43Å; K18-R22 PolarHBondContact O-N 3.49Å; K18-F207 HydrophobicContact CB-CD1 4.23Å; K18-F207 HydrophobicContact CB-CE1 3.74Å; K18-F207 HydrophobicContact CG-CE1 4.37Å; K18-E208 VanDerWaalsContact CE-OE2 3.3Å; K18-E208 WeakPolarHBondContact CE-OE2 3.44Å; K18-E208 HydrophobicContact CG-CG 4.38Å; K18-E208 IonicContact NZ-OE2 3.33Å
19L85.6Confident76.8Confident86 Ų8681.1 Ų81.145%0.4542%0.421SS..Hα-helixtrans-64.3-46.3179.1-176.363.1000110F15 Q16 L17 L21 R22 T23F15-L19 HydrophobicContact CE1-CD2 4.45Å; F15-L19 WeakPolarHBondContact O-CB 3.45Å; F15-L19 PolarHBondContact O-N 3.02Å; Q16-L19 PolarHBondContact O-N 2.63Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 2.9Å; L19-L21 PolarHBondContact O-N 3.31Å; L19-R22 PolarHBondContact O-N 3.45Å; L19-R22 VanDerWaalsContact O-N 3.13Å; L19-T23 HydrophobicContact CD1-CG2 3.74Å; L19-T23 HydrophobicContact CG-CG2 4.19Å; L19-T23 WeakPolarHBondContact O-CG2 3.11Å; L19-T23 PolarHBondContact O-N 3.31Å; L19-T23 PolarHBondContact O-OG1 2.96Å
20F87.7Confident79.4Confident79 Ų7978.6 Ų78.635%0.34641%0.412SS..Hα-helixtrans-53.4-48.7176.7178-98.6000112.4Q16 L17 R22 N24 W26 I32Q16-F20 VanDerWaalsContact O-CB 3.28Å; Q16-F20 WeakPolarHBondContact O-CB 3.47Å; Q16-F20 PolarHBondContact O-N 2.83Å; L17-F20 HydrophobicContact CD1-CD1 4.13Å; L17-F20 WeakPolarHBondContact O-CB 3.48Å; L17-F20 PolarHBondContact O-N 3.28Å; F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.92Å; F20-N24 VanDerWaalsContact CD2-ND2 3.27Å; F20-N24 WeakPolarHBondContact CD2-ND2 3.2Å; F20-N24 WeakPolarHBondContact O-CB 3.34Å; F20-N24 PolarHBondContact O-N 3.17Å; F20-N24 PolarHBondContact O-ND2 3.37Å; F20-W26 AromaticContact CD1-CH2 3.93Å; F20-W26 HydrophobicContact CD1-CH2 3.93Å; F20-W26 HydrophobicContact CD1-CZ2 4.36Å; F20-W26 AromaticContact CE1-CH2 3.42Å; F20-W26 HydrophobicContact CE1-CH2 3.42Å; F20-W26 VanDerWaalsContact CE1-CH2 3.42Å; F20-W26 AromaticContact CE1-CZ2 3.58Å; F20-W26 HydrophobicContact CE1-CZ2 3.58Å; F20-W26 HydrophobicContact CE2-CZ2 4.17Å; F20-W26 AromaticContact CZ-CH2 3.85Å; F20-W26 HydrophobicContact CZ-CH2 3.85Å; F20-W26 AromaticContact CZ-CZ2 3.47Å; F20-W26 HydrophobicContact CZ-CZ2 3.47Å; F20-W26 VanDerWaalsContact CZ-CZ2 3.47Å; F20-I32 HydrophobicContact CZ-CD1 4.32Å
21L88Confident81.7Confident2 Ų287 Ų871%0.0143%0.433CS..Hα-helixtrans-66.6-31.6179.6-68.1169.7000113.5L17 L19 L36 I40 R200 F207L17-L21 HydrophobicContact CD1-CD1 4.38Å; L17-L21 HydrophobicContact CD1-CG 4.3Å; L17-L21 HydrophobicContact CG-CD1 4.23Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 2.88Å; L19-L21 PolarHBondContact O-N 3.31Å; L21-L36 HydrophobicContact CD2-CD1 4.36Å; L21-L36 HydrophobicContact CD2-CD2 3.86Å; L21-L36 HydrophobicContact CD2-CG 4.4Å; L21-I40 HydrophobicContact CD1-CD1 3.96Å; L21-I40 HydrophobicContact CD2-CD1 3.89Å; L21-R200 PolarHBondContact O-NH1 3.35Å; L21-R200 PolarHBondContact O-NH2 3.31Å; L21-F207 HydrophobicContact CD1-CB 3.43Å; L21-F207 VanDerWaalsContact CD1-CB 3.43Å; L21-F207 HydrophobicContact CD1-CD1 4.19Å; L21-F207 HydrophobicContact CD1-CD2 4.29Å; L21-F207 HydrophobicContact CD1-CG 3.72Å
22R84.9Confident83.7Confident77 Ų7785.5 Ų85.529%0.29142%0.418SS..Hα-helixtrans-78.8-39.8-179.5-73.9175.1174.7-147-5.5112.7K18 L19 F20 R200 E208K18-R22 VanDerWaalsContact O-CG 3.29Å; K18-R22 WeakPolarHBondContact O-CG 3.43Å; K18-R22 PolarHBondContact O-N 3.49Å; L19-R22 PolarHBondContact O-N 3.45Å; L19-R22 VanDerWaalsContact O-N 3.13Å; F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.92Å; R22-R200 PolarHBondContact O-NH2 3.33Å; R22-E208 IonicContact CZ-OE1 3.02Å; R22-E208 IonicContact CZ-OE2 2.79Å; R22-E208 IonicContact NE-OE1 2.65Å; R22-E208 PolarHBondContact NE-OE1 2.89Å; R22-E208 IonicContact NH2-OE1 2.9Å; R22-E208 PolarHBondContact NH2-OE1 3.21Å; R22-E208 IonicContact NH2-OE2 3.55Å; R22-E208 PolarHBondContact NH2-OE2 3.2Å
23T83.9Confident85.9Confident91 Ų9179.4 Ų79.456%0.55839%0.391SS*.Hα-helixtrans-85.8-32.7-172.655.10000113L19 N25L19-T23 HydrophobicContact CD1-CG2 3.74Å; L19-T23 HydrophobicContact CG-CG2 4.19Å; L19-T23 WeakPolarHBondContact O-CG2 3.11Å; L19-T23 PolarHBondContact O-N 3.31Å; L19-T23 PolarHBondContact O-OG1 2.96Å; T23-N25 PolarHBondContact O-N 2.84Å
24N86Confident87Confident52 Ų5272.8 Ų72.828%0.27837%0.372SS..  trans-81118.5-177.8-70.5-82.1000111.1F20 W26 R200F20-N24 VanDerWaalsContact CD2-ND2 3.27Å; F20-N24 WeakPolarHBondContact CD2-ND2 3.2Å; F20-N24 WeakPolarHBondContact O-CB 3.34Å; F20-N24 PolarHBondContact O-N 3.17Å; F20-N24 PolarHBondContact O-ND2 3.37Å; N24-W26 HydrophobicContact CB-CD2 3.98Å; N24-W26 VanDerWaalsContact CB-CE2 3.47Å; N24-W26 HydrophobicContact CB-CE3 4.21Å; N24-W26 HydrophobicContact CB-CH2 3.53Å; N24-W26 HydrophobicContact CB-CZ2 3.23Å; N24-W26 HydrophobicContact CB-CZ3 4.02Å; N24-R200 VanDerWaalsContact O-CZ 3.26Å; N24-R200 PolarHBondContact O-NH2 2.77Å
25N84Confident87.8Confident118 Ų11872.6 Ų72.663%0.63138%0.376SS*.  trans-106.263.9-178.7-168.642000111.3T23 R200T23-N25 PolarHBondContact O-N 2.84Å; N25-R200 VanDerWaalsContact OD1-CD 3.29Å; N25-R200 WeakPolarHBondContact OD1-CD 3.33Å; N25-R200 PolarHBondContact OD1-NE 3.41Å
26W88.3Confident88.5Confident33 Ų3367.6 Ų67.613%0.12535%0.354CS..  trans-61.6142.4178.3-53.2-74.5000111.5F20 N24 H30 I32 R33 L36F20-W26 AromaticContact CD1-CH2 3.93Å; F20-W26 HydrophobicContact CD1-CH2 3.93Å; F20-W26 HydrophobicContact CD1-CZ2 4.36Å; F20-W26 AromaticContact CE1-CH2 3.42Å; F20-W26 HydrophobicContact CE1-CH2 3.42Å; F20-W26 VanDerWaalsContact CE1-CH2 3.42Å; F20-W26 AromaticContact CE1-CZ2 3.58Å; F20-W26 HydrophobicContact CE1-CZ2 3.58Å; F20-W26 HydrophobicContact CE2-CZ2 4.17Å; F20-W26 AromaticContact CZ-CH2 3.85Å; F20-W26 HydrophobicContact CZ-CH2 3.85Å; F20-W26 AromaticContact CZ-CZ2 3.47Å; F20-W26 HydrophobicContact CZ-CZ2 3.47Å; F20-W26 VanDerWaalsContact CZ-CZ2 3.47Å; N24-W26 HydrophobicContact CB-CD2 3.98Å; N24-W26 VanDerWaalsContact CB-CE2 3.47Å; N24-W26 HydrophobicContact CB-CE3 4.21Å; N24-W26 HydrophobicContact CB-CH2 3.53Å; N24-W26 HydrophobicContact CB-CZ2 3.23Å; N24-W26 HydrophobicContact CB-CZ3 4.02Å; W26-H30 HydrophobicContact CB-CB 3.7Å; W26-H30 AromaticContact CD1-CD2 3.9Å; W26-H30 AromaticContact CD1-CE1 3.81Å; W26-H30 AromaticContact CD1-ND1 3.95Å; W26-H30 AromaticContact CD1-NE2 3.76Å; W26-H30 HydrophobicContact CG-CB 4.47Å; W26-I32 HydrophobicContact CD2-CG2 3.99Å; W26-I32 HydrophobicContact CE3-CG2 4.33Å; W26-I32 HydrophobicContact CG-CG2 4.16Å; W26-I32 HydrophobicContact CH2-CD1 4.44Å; W26-I32 HydrophobicContact CZ2-CD1 3.78Å; W26-R33 PolarHBondContact O-NH2 2.86Å; W26-L36 HydrophobicContact CH2-CD2 4.03Å; W26-L36 HydrophobicContact CZ3-CD2 3.98Å
27S90.1Very high89.1Confident79 Ų7962.9 Ų62.955%0.55233%0.333SS*.  trans-54.1155.2172.762.60000111.2G29 H30 R33S27-G29 VanDerWaalsContact C-N 3.28Å; S27-G29 PolarHBondContact O-N 2.97Å; S27-H30 VanDerWaalsContact O-CB 3.27Å; S27-H30 WeakPolarHBondContact O-CB 3.2Å; S27-H30 PolarHBondContact O-N 3.36Å; S27-H30 VanDerWaalsContact O-N 3.09Å; S27-R33 PolarHBondContact O-NH1 2.62Å
28S87.7Confident89.4Confident41 Ų4162.5 Ų62.529%0.28733%0.328SS..THydrogen-bonded Turntrans-55.5-41.9-177.446.20000112.3H30 R33 Y120S28-H30 VanDerWaalsContact C-N 3.29Å; S28-H30 PolarHBondContact O-N 2.94Å; S28-R33 PolarHBondContact O-NH1 3.45Å; S28-Y120 WeakPolarHBondContact O-CE1 3.43Å; S28-Y120 VanDerWaalsContact O-CZ 3.3Å; S28-Y120 PolarHBondContact O-OH 2.91Å
29G89.5Confident89.6Confident61 Ų6167 Ų6763%0.62935%0.35SS*.THydrogen-bonded Turntrans-819.5179.200000116.2S27 R31S27-G29 VanDerWaalsContact C-N 3.28Å; S27-G29 PolarHBondContact O-N 2.97Å; G29-R31 PolarHBondContact O-N 3.06Å
30H93.8Very high89.7Confident74 Ų7464.4 Ų64.434%0.34334%0.336SS..  trans-68.2127.5-174.1-164.4-79.2000112.6W26 S27 S28 I32W26-H30 HydrophobicContact CB-CB 3.7Å; W26-H30 AromaticContact CD1-CD2 3.9Å; W26-H30 AromaticContact CD1-CE1 3.81Å; W26-H30 AromaticContact CD1-ND1 3.95Å; W26-H30 AromaticContact CD1-NE2 3.76Å; W26-H30 HydrophobicContact CG-CB 4.47Å; S27-H30 VanDerWaalsContact O-CB 3.27Å; S27-H30 WeakPolarHBondContact O-CB 3.2Å; S27-H30 PolarHBondContact O-N 3.36Å; S27-H30 VanDerWaalsContact O-N 3.09Å; S28-H30 VanDerWaalsContact C-N 3.29Å; S28-H30 PolarHBondContact O-N 2.94Å; H30-I32 VanDerWaalsContact C-N 3.26Å; H30-I32 VanDerWaalsContact ND1-CB 3.3Å; H30-I32 WeakPolarHBondContact ND1-CB 3.33Å; H30-I32 WeakPolarHBondContact ND1-CG2 3.26Å; H30-I32 PolarHBondContact ND1-N 3.09Å; H30-I32 PolarHBondContact O-N 3.37Å
31R93.3Very high89.7Confident226 Ų22660.9 Ų60.985%0.85332%0.322SS*.THydrogen-bonded Turntrans-64.6-22.3-171.8-64.2-175.2179.5-170.3-0.9115.1G29 R33 A34G29-R31 PolarHBondContact O-N 3.06Å; R31-R33 PolarHBondContact O-N 3.21Å; R31-A34 WeakPolarHBondContact O-CB 3.24Å; R31-A34 PolarHBondContact O-N 3.35Å; R31-A34 VanDerWaalsContact O-N 3.09Å
32I93.7Very high89.1Confident49 Ų4964.4 Ų64.425%0.25135%0.346SS..THydrogen-bonded Turntrans-50.6-32-179.9-162172.6000113.7F20 W26 H30 A34 D35 L36F20-I32 HydrophobicContact CZ-CD1 4.32Å; W26-I32 HydrophobicContact CD2-CG2 3.99Å; W26-I32 HydrophobicContact CE3-CG2 4.33Å; W26-I32 HydrophobicContact CG-CG2 4.16Å; W26-I32 HydrophobicContact CH2-CD1 4.44Å; W26-I32 HydrophobicContact CZ2-CD1 3.78Å; H30-I32 VanDerWaalsContact C-N 3.26Å; H30-I32 VanDerWaalsContact ND1-CB 3.3Å; H30-I32 WeakPolarHBondContact ND1-CB 3.33Å; H30-I32 WeakPolarHBondContact ND1-CG2 3.26Å; H30-I32 PolarHBondContact ND1-N 3.09Å; H30-I32 PolarHBondContact O-N 3.37Å; I32-A34 VanDerWaalsContact C-N 3.26Å; I32-A34 PolarHBondContact O-N 2.86Å; I32-D35 PolarHBondContact O-N 3.36Å; I32-L36 HydrophobicContact CG1-CB 4.26Å; I32-L36 HydrophobicContact CG1-CD2 4.46Å; I32-L36 WeakPolarHBondContact O-CB 3.39Å; I32-L36 PolarHBondContact O-N 3.29Å
33R94.2Very high88Confident1 Ų164 Ų640%0.00435%0.35CS..Hα-helixtrans-65.4-29.2-176.1-69.7-179.1176.697.30.3113.3W26 S27 S28 R31 D35 W37 Y120 D203W26-R33 PolarHBondContact O-NH2 2.86Å; S27-R33 PolarHBondContact O-NH1 2.62Å; S28-R33 PolarHBondContact O-NH1 3.45Å; R31-R33 PolarHBondContact O-N 3.21Å; R33-D35 PolarHBondContact O-N 2.76Å; R33-W37 HydrophobicContact CB-CD2 4.12Å; R33-W37 HydrophobicContact CB-CG 4.41Å; R33-W37 HydrophobicContact CB-CZ2 4.35Å; R33-W37 VanDerWaalsContact CD-CZ2 3.47Å; R33-W37 HydrophobicContact CG-CZ2 4.1Å; R33-W37 WeakPolarHBondContact O-CB 3.42Å; R33-W37 PolarHBondContact O-N 3.05Å; R33-W37 VanDerWaalsContact O-N 3.09Å; R33-Y120 HydrophobicContact CB-CD1 3.63Å; R33-Y120 HydrophobicContact CB-CE1 4.16Å; R33-Y120 HydrophobicContact CB-CG 4Å; R33-Y120 HydrophobicContact CG-CD1 4.42Å; R33-Y120 HydrophobicContact CG-CE1 4.49Å; R33-D203 IonicContact CZ-OD1 2.87Å; R33-D203 IonicContact CZ-OD2 3.34Å; R33-D203 IonicContact NE-OD1 2.83Å; R33-D203 PolarHBondContact NE-OD1 3.3Å; R33-D203 IonicContact NE-OD2 3.78Å; R33-D203 PolarHBondContact NE-OD2 3.26Å; R33-D203 IonicContact NH2-OD1 3.78Å; R33-D203 IonicContact NH2-OD2 3.49Å; R33-D203 PolarHBondContact NH2-OD2 2.89Å
34A92.1Very high86.2Confident29 Ų2966 Ų6624%0.2436%0.364CS..Hα-helixtrans-57.5-36.2177.900000112R31 I32 K38 Y120R31-A34 WeakPolarHBondContact O-CB 3.24Å; R31-A34 PolarHBondContact O-N 3.35Å; R31-A34 VanDerWaalsContact O-N 3.09Å; I32-A34 VanDerWaalsContact C-N 3.26Å; I32-A34 PolarHBondContact O-N 2.86Å; A34-K38 WeakPolarHBondContact O-CD 3.45Å; A34-K38 WeakPolarHBondContact O-CE 3.34Å; A34-K38 WeakPolarHBondContact O-CG 3.44Å; A34-K38 PolarHBondContact O-NZ 3.15Å; A34-K38 VanDerWaalsContact O-NZ 3.14Å; A34-Y120 VanDerWaalsContact CA-O 3.25Å; A34-Y120 WeakPolarHBondContact CA-O 3.34Å; A34-Y120 WeakPolarHBondContact CB-O 3.42Å
35D92.1Very high84.5Confident96 Ų9667.5 Ų67.551%0.51338%0.375SS..Hα-helixtrans-100.5-42.5178.7-60.9-43.5000112.2I32 R33 W37 K38 E39I32-D35 PolarHBondContact O-N 3.36Å; R33-D35 PolarHBondContact O-N 2.76Å; D35-W37 PolarHBondContact O-N 3.38Å; D35-K38 PolarHBondContact O-N 3.31Å; D35-K38 IonicContact OD1-NZ 3.4Å; D35-K38 PolarHBondContact OD1-NZ 3.49Å; D35-E39 WeakPolarHBondContact O-CG 3.43Å; D35-E39 PolarHBondContact O-N 3.46Å
36L92.2Very high83Confident21 Ų2168 Ų6811%0.1138%0.378CS..Hα-helixtrans-58.6-44.4-177.5178.964.1000112.7L21 W26 I32 E39 I40L21-L36 HydrophobicContact CD2-CD1 4.36Å; L21-L36 HydrophobicContact CD2-CD2 3.86Å; L21-L36 HydrophobicContact CD2-CG 4.4Å; W26-L36 HydrophobicContact CH2-CD2 4.03Å; W26-L36 HydrophobicContact CZ3-CD2 3.98Å; I32-L36 HydrophobicContact CG1-CB 4.26Å; I32-L36 HydrophobicContact CG1-CD2 4.46Å; I32-L36 WeakPolarHBondContact O-CB 3.39Å; I32-L36 PolarHBondContact O-N 3.29Å; L36-E39 PolarHBondContact O-N 3.23Å; L36-I40 HydrophobicContact CD1-CD1 3.8Å; L36-I40 HydrophobicContact CD1-CG1 4.24Å; L36-I40 HydrophobicContact CG-CD1 3.78Å; L36-I40 WeakPolarHBondContact O-CB 2.97Å; L36-I40 WeakPolarHBondContact O-CD1 3.48Å; L36-I40 WeakPolarHBondContact O-CG1 3.37Å; L36-I40 PolarHBondContact O-N 3.21Å
37W94Very high81.5Confident0 Ų069 Ų690%038%0.383CS..Hα-helixtrans-69.5-36.4-178.3-69.7-1.3000111.9R33 D35 I40 C41 F117 Y120 M121 V199 L202 D203 L206R33-W37 HydrophobicContact CB-CD2 4.12Å; R33-W37 HydrophobicContact CB-CG 4.41Å; R33-W37 HydrophobicContact CB-CZ2 4.35Å; R33-W37 VanDerWaalsContact CD-CZ2 3.47Å; R33-W37 HydrophobicContact CG-CZ2 4.1Å; R33-W37 WeakPolarHBondContact O-CB 3.42Å; R33-W37 PolarHBondContact O-N 3.05Å; R33-W37 VanDerWaalsContact O-N 3.09Å; D35-W37 PolarHBondContact O-N 3.38Å; W37-I40 PolarHBondContact O-N 3.01Å; W37-C41 WeakPolarHBondContact O-CB 3.45Å; W37-C41 PolarHBondContact O-N 2.81Å; W37-C41 PolarHBondContact O-SG 3.14Å; W37-F117 AromaticContact CE3-CD1 3.67Å; W37-F117 HydrophobicContact CE3-CD1 3.67Å; W37-F117 AromaticContact CE3-CE1 3.96Å; W37-F117 HydrophobicContact CE3-CE1 3.96Å; W37-F117 AromaticContact CZ3-CD1 3.88Å; W37-F117 HydrophobicContact CZ3-CD1 3.88Å; W37-F117 HydrophobicContact CZ3-CE1 4.39Å; W37-Y120 HydrophobicContact CE3-CD2 4.23Å; W37-Y120 HydrophobicContact CE3-CG 4.46Å; W37-Y120 AromaticContact CH2-CD2 3.49Å; W37-Y120 HydrophobicContact CH2-CD2 3.49Å; W37-Y120 VanDerWaalsContact CH2-CD2 3.49Å; W37-Y120 AromaticContact CH2-CE2 3.6Å; W37-Y120 HydrophobicContact CH2-CE2 3.6Å; W37-Y120 HydrophobicContact CH2-CG 4.24Å; W37-Y120 AromaticContact CZ3-CD2 3.31Å; W37-Y120 HydrophobicContact CZ3-CD2 3.31Å; W37-Y120 AromaticContact CZ3-CE2 3.93Å; W37-Y120 HydrophobicContact CZ3-CE2 3.93Å; W37-Y120 AromaticContact CZ3-CG 3.94Å; W37-Y120 HydrophobicContact CZ3-CG 3.94Å; W37-M121 HydrophobicContact CB-CE 3.73Å; W37-M121 HydrophobicContact CD2-CE 4.43Å; W37-M121 HydrophobicContact CE3-CE 3.7Å; W37-V199 HydrophobicContact CH2-CG1 4.45Å; W37-V199 HydrophobicContact CZ2-CG1 4.19Å; W37-L202 HydrophobicContact CE3-CD2 4.32Å; W37-L202 HydrophobicContact CH2-CB 4.49Å; W37-L202 HydrophobicContact CH2-CD2 3.33Å; W37-L202 HydrophobicContact CH2-CG 4Å; W37-L202 HydrophobicContact CZ2-CB 4.15Å; W37-L202 HydrophobicContact CZ2-CD2 3.73Å; W37-L202 HydrophobicContact CZ2-CG 3.85Å; W37-L202 HydrophobicContact CZ3-CD2 3.65Å; W37-L202 HydrophobicContact CZ3-CG 4.48Å; W37-D203 PolarHBondContact NE1-OD1 2.6Å; W37-L206 HydrophobicContact CB-CD1 3.73Å; W37-L206 HydrophobicContact CD2-CD1 3.79Å; W37-L206 HydrophobicContact CG-CD1 3.41Å; W37-L206 VanDerWaalsContact CG-CD1 3.41Å
38K90.9Very high79.9Confident52 Ų5266 Ų6623%0.22636%0.363CS..Hα-helixtrans-60.6-54.2172.4-63.7-178.1-49.7-146.60109.9A34 D35 I40 C41 S42 D125A34-K38 WeakPolarHBondContact O-CD 3.45Å; A34-K38 WeakPolarHBondContact O-CE 3.34Å; A34-K38 WeakPolarHBondContact O-CG 3.44Å; A34-K38 PolarHBondContact O-NZ 3.15Å; A34-K38 VanDerWaalsContact O-NZ 3.14Å; D35-K38 PolarHBondContact O-N 3.31Å; D35-K38 IonicContact OD1-NZ 3.4Å; D35-K38 PolarHBondContact OD1-NZ 3.49Å; K38-I40 VanDerWaalsContact C-N 3.27Å; K38-I40 PolarHBondContact O-N 3.33Å; K38-C41 CarbonylContact O-C 3.54Å; K38-C41 PolarHBondContact O-N 3.32Å; K38-S42 WeakPolarHBondContact O-CB 3.25Å; K38-S42 PolarHBondContact O-N 2.83Å; K38-S42 PolarHBondContact O-OG 2.85Å; K38-D125 HydrophobicContact CD-CB 3.91Å; K38-D125 VanDerWaalsContact CD-CG 3.47Å; K38-D125 HydrophobicContact CG-CB 4.22Å
39E89Confident78.3Confident141 Ų14167.6 Ų67.666%0.65938%0.378SS*.Hα-helixtrans-56.1-39.2179.6-73.2-62.214500113D35 L36D35-E39 WeakPolarHBondContact O-CG 3.43Å; D35-E39 PolarHBondContact O-N 3.46Å; L36-E39 PolarHBondContact O-N 3.23Å
40I88.4Confident77.1Confident30 Ų3067 Ų6715%0.15437%0.365CS..Hα-helixtrans-69.7-38.7176.8-68.4166.1000111.7L21 L36 W37 K38 L206 F207L21-I40 HydrophobicContact CD1-CD1 3.96Å; L21-I40 HydrophobicContact CD2-CD1 3.89Å; L36-I40 HydrophobicContact CD1-CD1 3.8Å; L36-I40 HydrophobicContact CD1-CG1 4.24Å; L36-I40 HydrophobicContact CG-CD1 3.78Å; L36-I40 WeakPolarHBondContact O-CB 2.97Å; L36-I40 WeakPolarHBondContact O-CD1 3.48Å; L36-I40 WeakPolarHBondContact O-CG1 3.37Å; L36-I40 PolarHBondContact O-N 3.21Å; W37-I40 PolarHBondContact O-N 3.01Å; K38-I40 VanDerWaalsContact C-N 3.27Å; K38-I40 PolarHBondContact O-N 3.33Å; I40-L206 VanDerWaalsContact CG2-C 3.47Å; I40-L206 HydrophobicContact CG2-CB 3.72Å; I40-L206 VanDerWaalsContact CG2-O 3.27Å; I40-L206 WeakPolarHBondContact CG2-O 3.35Å; I40-F207 HydrophobicContact CG2-CB 4.2Å; I40-F207 HydrophobicContact CG2-CD2 4.37Å
41C86.6Confident76.1Confident6 Ų664 Ų644%0.04135%0.351CS..Hα-helixtrans-84.2-18.2-177.4-62.90000113.4W37 K38 N43 C129 S132W37-C41 WeakPolarHBondContact O-CB 3.45Å; W37-C41 PolarHBondContact O-N 2.81Å; W37-C41 PolarHBondContact O-SG 3.14Å; K38-C41 CarbonylContact O-C 3.54Å; K38-C41 PolarHBondContact O-N 3.32Å; C41-N43 PolarHBondContact O-N 3.26Å; C41-C129 HydrophobicContact CB-CB 3.81Å; C41-S132 WeakPolarHBondContact O-CB 3.5Å; C41-S132 PolarHBondContact O-OG 3.25Å
42S76.6Confident74.9Confident76 Ų7656.6 Ų56.653%0.53134%0.338SS..  trans-53.9118.6-178.5-75.40000111.3K38K38-S42 WeakPolarHBondContact O-CB 3.25Å; K38-S42 PolarHBondContact O-N 2.83Å; K38-S42 PolarHBondContact O-OG 2.85Å
43N60.9Low73.6Confident68 Ų6857.2 Ų57.236%0.36435%0.347SS..  trans-111.7137.3169.3-146.7-14.9000106C41 T45C41-N43 PolarHBondContact O-N 3.26Å; N43-T45 PolarHBondContact O-N 3.33Å
44P46.4Very low72.3Confident133 Ų13358.1 Ų58.186%0.86435%0.351SS*.SBendtrans-57.60.4-175.615.3-31.5000117.1
45T50.2Low71.2Confident83 Ų8358.7 Ų58.751%0.50935%0.35SS..SBendtrans-92.5114.117355.90000110.4N43 K47N43-T45 PolarHBondContact O-N 3.33Å; T45-K47 PolarHBondContact O-N 2.68Å
46D52.1Low69.8Low129 Ų12955.8 Ų55.869%0.6934%0.342SS*.  trans-70.487.5179.5-166.9-1.7000111.5S48D46-S48 PolarHBondContact O-N 3.43Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 3.44Å; D46-S48 VanDerWaalsContact OD1-N 3.15Å; D46-S48 PolarHBondContact OD1-OG 3.49Å
47K57.9Low68.1Low53 Ų5359.1 Ų59.123%0.2336%0.36CS..  trans-82.15.2173.5-61.7-173.4-175.5-176.50112.6T45 S50 M131T45-K47 PolarHBondContact O-N 2.68Å; K47-S50 PolarHBondContact O-OG 3.35Å; K47-M131 HydrophobicContact CD-CB 3.83Å; K47-M131 PolarHBondContact NZ-O 3.06Å
48S56.9Low66.3Low18 Ų1861.2 Ų61.213%0.12637%0.37CS..SBendtrans-76.9-24.3-172.279.50000113D46 R124D46-S48 PolarHBondContact O-N 3.43Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 3.44Å; D46-S48 VanDerWaalsContact OD1-N 3.15Å; D46-S48 PolarHBondContact OD1-OG 3.49Å; S48-R124 PolarHBondContact OG-NH2 3.07Å
49A52.6Low64.5Low74 Ų7462.5 Ų62.561%0.61239%0.391SS*.Hα-helixtrans-70-31.1178.400000112.9F51A49-F51 VanDerWaalsContact C-N 3.34Å; A49-F51 PolarHBondContact O-N 3.08Å
50S66Low62.6Low49 Ų4962.4 Ų62.434%0.34340%0.395SS..Hα-helixtrans-74.5-21.8-178.963.10000113.4K47 S53 L54K47-S50 PolarHBondContact O-OG 3.35Å; S50-S53 PolarHBondContact O-OG 2.81Å; S50-L54 WeakPolarHBondContact O-CB 3.43Å; S50-L54 VanDerWaalsContact O-CD1 3.26Å; S50-L54 WeakPolarHBondContact O-CD1 3.22Å; S50-L54 WeakPolarHBondContact O-CG 3.37Å; S50-L54 PolarHBondContact O-N 3.34Å
51F72.1Confident60.5Low10 Ų1067 Ų674%0.04442%0.419CS..Hα-helixtrans-69.5-43.6-178.5-176.2-114.7000112.4A49 S53 L54 I55 L93 A96 D123 R124 F127A49-F51 VanDerWaalsContact C-N 3.34Å; A49-F51 PolarHBondContact O-N 3.08Å; F51-S53 VanDerWaalsContact C-N 3.35Å; F51-S53 PolarHBondContact O-N 3.32Å; F51-L54 PolarHBondContact O-N 3.11Å; F51-I55 HydrophobicContact CD1-CG1 4.35Å; F51-I55 HydrophobicContact CD2-CG1 4.09Å; F51-I55 HydrophobicContact CE1-CG1 3.93Å; F51-I55 HydrophobicContact CE2-CD1 3.8Å; F51-I55 HydrophobicContact CE2-CG1 3.66Å; F51-I55 HydrophobicContact CG-CG1 4.44Å; F51-I55 HydrophobicContact CZ-CD1 3.84Å; F51-I55 HydrophobicContact CZ-CG1 3.57Å; F51-I55 WeakPolarHBondContact O-CG1 3.37Å; F51-I55 PolarHBondContact O-N 3.26Å; F51-L93 HydrophobicContact CE2-CD1 4.24Å; F51-A96 HydrophobicContact CD2-CB 4.24Å; F51-A96 HydrophobicContact CE2-CB 3.96Å; F51-D123 HydrophobicContact CE1-CB 4.29Å; F51-D123 HydrophobicContact CZ-CB 4.09Å; F51-R124 HydrophobicContact CD1-CB 3.9Å; F51-R124 HydrophobicContact CD1-CG 4.06Å; F51-R124 HydrophobicContact CE1-CB 4.13Å; F51-F127 HydrophobicContact CB-CD1 3.66Å; F51-F127 HydrophobicContact CB-CE1 3.96Å; F51-F127 HydrophobicContact CB-CG 4.09Å; F51-F127 HydrophobicContact CD2-CB 3.55Å; F51-F127 AromaticContact CD2-CD1 3.74Å; F51-F127 HydrophobicContact CD2-CD1 3.74Å; F51-F127 AromaticContact CD2-CD2 3.36Å; F51-F127 HydrophobicContact CD2-CD2 3.36Å; F51-F127 HydrophobicContact CD2-CE1 4.25Å; F51-F127 AromaticContact CD2-CE2 3.91Å; F51-F127 HydrophobicContact CD2-CE2 3.91Å; F51-F127 AromaticContact CD2-CG 3.25Å; F51-F127 HydrophobicContact CD2-CG 3.25Å; F51-F127 HydrophobicContact CD2-CZ 4.32Å; F51-F127 HydrophobicContact CE2-CB 3.79Å; F51-F127 AromaticContact CE2-CD2 3.77Å; F51-F127 HydrophobicContact CE2-CD2 3.77Å; F51-F127 AromaticContact CE2-CG 3.87Å; F51-F127 HydrophobicContact CE2-CG 3.87Å; F51-F127 HydrophobicContact CG-CB 4.01Å; F51-F127 AromaticContact CG-CD1 3.98Å; F51-F127 HydrophobicContact CG-CD1 3.98Å; F51-F127 HydrophobicContact CG-CD2 4.38Å; F51-F127 AromaticContact CG-CG 3.87Å; F51-F127 HydrophobicContact CG-CG 3.87Å; F51-F127 HydrophobicContact CZ-CB 4.45Å
52A67.2Low58.2Low71 Ų7170.4 Ų70.459%0.58746%0.455SS*.Hα-helixtrans-65.4-37.6-177.200000112.4G56A52-G56 PolarHBondContact O-N 3.02Å; A52-G56 VanDerWaalsContact O-N 3.09Å
53S67.5Low56.2Low62 Ų6271.4 Ų71.443%0.43446%0.461SS..Hα-helixtrans-65.2-44.9174.258.60000111.3S50 F51 I55 G56 D57S50-S53 PolarHBondContact O-OG 2.81Å; F51-S53 VanDerWaalsContact C-N 3.35Å; F51-S53 PolarHBondContact O-N 3.32Å; S53-I55 PolarHBondContact O-N 3Å; S53-G56 PolarHBondContact O-N 3.21Å; S53-D57 VanDerWaalsContact O-CG 3.27Å; S53-D57 PolarHBondContact O-N 2.91Å
54L66.9Low55.5Low20 Ų2073.7 Ų73.711%0.10548%0.482CS..Hα-helixtrans-63.1-42.9-178.5-70.8170.3000113.2S50 F51 Q58 A96 H99 A100 F127S50-L54 WeakPolarHBondContact O-CB 3.43Å; S50-L54 VanDerWaalsContact O-CD1 3.26Å; S50-L54 WeakPolarHBondContact O-CD1 3.22Å; S50-L54 WeakPolarHBondContact O-CG 3.37Å; S50-L54 PolarHBondContact O-N 3.34Å; F51-L54 PolarHBondContact O-N 3.11Å; L54-Q58 WeakPolarHBondContact O-CG 3.3Å; L54-Q58 PolarHBondContact O-N 2.79Å; L54-Q58 VanDerWaalsContact O-N 3.1Å; L54-A96 HydrophobicContact CB-CB 4.45Å; L54-H99 WeakPolarHBondContact CD2-CD2 3.48Å; L54-A100 HydrophobicContact CD1-CB 3.94Å; L54-F127 HydrophobicContact CD1-CE2 4.39Å; L54-F127 HydrophobicContact CD1-CZ 3.95Å
55I68.4Low55.8Low41 Ų4170.9 Ų70.921%0.2146%0.462CS..Hα-helixtrans-70.3-37.3177-63.2-66000111F51 S53 Q58 A59 Q92 A96F51-I55 HydrophobicContact CD1-CG1 4.35Å; F51-I55 HydrophobicContact CD2-CG1 4.09Å; F51-I55 HydrophobicContact CE1-CG1 3.93Å; F51-I55 HydrophobicContact CE2-CD1 3.8Å; F51-I55 HydrophobicContact CE2-CG1 3.66Å; F51-I55 HydrophobicContact CG-CG1 4.44Å; F51-I55 HydrophobicContact CZ-CD1 3.84Å; F51-I55 HydrophobicContact CZ-CG1 3.57Å; F51-I55 WeakPolarHBondContact O-CG1 3.37Å; F51-I55 PolarHBondContact O-N 3.26Å; S53-I55 PolarHBondContact O-N 3Å; I55-Q58 PolarHBondContact O-N 3.36Å; I55-A59 PolarHBondContact O-N 3.09Å; I55-Q92 HydrophobicContact CD1-CB 4.22Å; I55-A96 HydrophobicContact CD1-CB 3.94Å
56G62.2Low56.5Low34 Ų3470.8 Ų70.835%0.35146%0.462SS..Hα-helixtrans-60.7-43.6174.600000112.5A52 S53 Q58 A59 N60A52-G56 PolarHBondContact O-N 3.02Å; A52-G56 VanDerWaalsContact O-N 3.09Å; S53-G56 PolarHBondContact O-N 3.21Å; G56-Q58 VanDerWaalsContact C-N 3.35Å; G56-A59 PolarHBondContact O-N 3.5Å; G56-N60 PolarHBondContact O-N 3.35Å; G56-N60 PolarHBondContact O-ND2 3.5Å
57D57.4Low57.3Low91 Ų9164.7 Ų64.749%0.48743%0.429SS..Hα-helixtrans-66.1-37.4176.6-67.6-23.8000111.5S53 N60 L61S53-D57 VanDerWaalsContact O-CG 3.27Å; S53-D57 PolarHBondContact O-N 2.91Å; D57-N60 PolarHBondContact O-N 3.27Å; D57-L61 WeakPolarHBondContact O-CD1 3.24Å; D57-L61 PolarHBondContact O-N 2.76Å
58Q56.4Low57.8Low44 Ų4466.8 Ų66.821%0.20645%0.446CS..Hα-helixtrans-67.8-36176.4-76.2-175.28.500113.9L54 I55 G56 N60 L61 T95L54-Q58 WeakPolarHBondContact O-CG 3.3Å; L54-Q58 PolarHBondContact O-N 2.79Å; L54-Q58 VanDerWaalsContact O-N 3.1Å; I55-Q58 PolarHBondContact O-N 3.36Å; G56-Q58 VanDerWaalsContact C-N 3.35Å; Q58-N60 PolarHBondContact O-N 3.2Å; Q58-L61 PolarHBondContact O-N 3.09Å; Q58-T95 VanDerWaalsContact NE2-CG2 3.27Å; Q58-T95 PolarHBondContact NE2-O 3.14Å
59A53.5Low58.3Low80 Ų8066.4 Ų66.466%0.66144%0.442SS*.Hα-helixtrans-63.1-28.2175.300000112.2I55 G56I55-A59 PolarHBondContact O-N 3.09Å; G56-A59 PolarHBondContact O-N 3.5Å
60N49.1Very low59.1Low139 Ų13964 Ų6474%0.74342%0.419SS*.Hα-helixtrans-79.9-19.6177.8-67.9-27.7000113.6G56 D57 Q58G56-N60 PolarHBondContact O-N 3.35Å; G56-N60 PolarHBondContact O-ND2 3.5Å; D57-N60 PolarHBondContact O-N 3.27Å; Q58-N60 PolarHBondContact O-N 3.2Å
61L43.8Very low59.2Low126 Ų12667.2 Ų67.266%0.6644%0.437SS*.THydrogen-bonded Turntrans-84.5-6.2-174.1-82.8151.7000114.5D57 Q58 C63D57-L61 WeakPolarHBondContact O-CD1 3.24Å; D57-L61 PolarHBondContact O-N 2.76Å; Q58-L61 PolarHBondContact O-N 3.09Å; L61-C63 PolarHBondContact O-N 3.17Å
62G37.6Very low58.9Low78 Ų7867.9 Ų67.980%0.80444%0.444SS*.  trans59.40.1168.500000117.4
63C34.6Very low58.7Low96 Ų9670.1 Ų70.165%0.64945%0.453SS*.SBendtrans-106.9132.5-176.9-95.70000110.9L61 V65L61-C63 PolarHBondContact O-N 3.17Å; C63-V65 HydrophobicContact CB-CG2 3.78Å; C63-V65 PolarHBondContact O-N 2.75Å
64S46Very low58.5Low116 Ų11670 Ų7081%0.81146%0.461SS*.  trans-68.674.6165.9169.80000109.6T66S64-T66 PolarHBondContact O-N 3.48Å
65V53.8Low58.6Low74 Ų7470 Ų7045%0.44846%0.462SS..  trans-78.8106.3178.7-172.80000108.5C63 T95C63-V65 HydrophobicContact CB-CG2 3.78Å; C63-V65 PolarHBondContact O-N 2.75Å; V65-T95 HydrophobicContact CB-CG2 4.31Å; V65-T95 HydrophobicContact CG1-CG2 4.31Å; V65-T95 PolarHBondContact O-OG1 2.93Å
66T65.1Low58.7Low82 Ų8271.4 Ų71.450%0.50347%0.47SS..  trans-80.5132171.1-39.80000107.3S64 V68 L70S64-T66 PolarHBondContact O-N 3.48Å; T66-V68 PolarHBondContact O-N 2.91Å; T66-L70 HydrophobicContact CG2-CD1 4.16Å
67P69.4Low59.6Low0 Ų075.2 Ų75.20%048%0.482CS..  trans-56.8130.7-176.6-22.225.3000112.4F69 L70 L94 T95 E98P67-F69 VanDerWaalsContact C-N 3.26Å; P67-F69 HydrophobicContact CB-CD1 3.5Å; P67-F69 HydrophobicContact CB-CE1 3.31Å; P67-F69 HydrophobicContact CB-CZ 4.33Å; P67-F69 HydrophobicContact CG-CE1 4.08Å; P67-F69 PolarHBondContact O-N 3.27Å; P67-L70 HydrophobicContact CB-CD1 4.14Å; P67-L70 HydrophobicContact CB-CG 4.13Å; P67-L70 HydrophobicContact CG-CD1 3.95Å; P67-L70 HydrophobicContact CG-CG 4.46Å; P67-L70 WeakPolarHBondContact O-CB 3.3Å; P67-L70 PolarHBondContact O-N 3.28Å; P67-L70 VanDerWaalsContact O-N 3.09Å; P67-L94 HydrophobicContact CB-CB 4.47Å; P67-L94 HydrophobicContact CG-CB 3.62Å; P67-T95 WeakPolarHBondContact CD-OG1 3.3Å; P67-T95 WeakPolarHBondContact CG-OG1 3.38Å; P67-E98 WeakPolarHBondContact CA-OE2 3.21Å; P67-E98 WeakPolarHBondContact CB-OE2 3.3Å
68V67.3Low60.9Low97 Ų9772.9 Ų72.959%0.58847%0.472SS*.G310 helixtrans-61.9-38.5-172178.30000110.5T66 L70 T71 E98T66-V68 PolarHBondContact O-N 2.91Å; V68-L70 PolarHBondContact O-N 3.42Å; V68-T71 WeakPolarHBondContact O-CB 3.4Å; V68-T71 PolarHBondContact O-N 3.26Å; V68-T71 PolarHBondContact O-OG1 3.1Å; V68-E98 WeakPolarHBondContact CB-OE1 3.33Å; V68-E98 PolarHBondContact N-OE1 2.87Å; V68-E98 PolarHBondContact N-OE2 3.29Å
69F68.2Low62.4Low10 Ų1072.8 Ų72.84%0.04447%0.473CS..G310 helixtrans-57.7-23.2179.682.6-90.7000113.7P67 T71 A72 V75 L94 E98 F104 L110P67-F69 VanDerWaalsContact C-N 3.26Å; P67-F69 HydrophobicContact CB-CD1 3.5Å; P67-F69 HydrophobicContact CB-CE1 3.31Å; P67-F69 HydrophobicContact CB-CZ 4.33Å; P67-F69 HydrophobicContact CG-CE1 4.08Å; P67-F69 PolarHBondContact O-N 3.27Å; F69-T71 PolarHBondContact O-N 3.42Å; F69-A72 VanDerWaalsContact O-CB 3.3Å; F69-A72 WeakPolarHBondContact O-CB 3.19Å; F69-A72 PolarHBondContact O-N 3.35Å; F69-V75 WeakPolarHBondContact O-CG2 3.27Å; F69-L94 HydrophobicContact CE1-CB 4.2Å; F69-L94 HydrophobicContact CE1-CD2 4.44Å; F69-L94 HydrophobicContact CZ-CB 4.3Å; F69-L94 HydrophobicContact CZ-CD1 4.17Å; F69-L94 HydrophobicContact CZ-CD2 3.88Å; F69-L94 HydrophobicContact CZ-CG 4.34Å; F69-E98 PolarHBondContact N-OE1 3.14Å; F69-F104 HydrophobicContact CB-CE2 3.97Å; F69-F104 AromaticContact CD1-CE2 3.85Å; F69-F104 HydrophobicContact CD1-CE2 3.85Å; F69-F104 HydrophobicContact CD1-CZ 4.17Å; F69-F104 HydrophobicContact CD2-CE2 4.5Å; F69-F104 HydrophobicContact CE1-CE2 4.49Å; F69-F104 AromaticContact CG-CE2 3.85Å; F69-F104 HydrophobicContact CG-CE2 3.85Å; F69-L110 HydrophobicContact CE1-CD2 4.13Å; F69-L110 HydrophobicContact CE2-CB 4.23Å; F69-L110 HydrophobicContact CE2-CD2 4.01Å; F69-L110 HydrophobicContact CE2-CG 4.49Å; F69-L110 HydrophobicContact CZ-CB 4.5Å; F69-L110 HydrophobicContact CZ-CD2 3.73Å; F69-L110 HydrophobicContact CZ-CG 4.29Å
70L69.4Low64.1Low23 Ų2370.5 Ų70.512%0.1245%0.447CS..G310 helixtrans-68.6-17.6178.6-63.2177.8000113.3T66 P67 V68 A72 V75 L77 I91 L94 Y111T66-L70 HydrophobicContact CG2-CD1 4.16Å; P67-L70 HydrophobicContact CB-CD1 4.14Å; P67-L70 HydrophobicContact CB-CG 4.13Å; P67-L70 HydrophobicContact CG-CD1 3.95Å; P67-L70 HydrophobicContact CG-CG 4.46Å; P67-L70 WeakPolarHBondContact O-CB 3.3Å; P67-L70 PolarHBondContact O-N 3.28Å; P67-L70 VanDerWaalsContact O-N 3.09Å; V68-L70 PolarHBondContact O-N 3.42Å; L70-A72 VanDerWaalsContact C-N 3.28Å; L70-V75 HydrophobicContact CD2-CG1 4.02Å; L70-L77 HydrophobicContact CD2-CD2 3.91Å; L70-I91 HydrophobicContact CD1-CD1 4.24Å; L70-L94 HydrophobicContact CD1-CD1 4.4Å; L70-L94 HydrophobicContact CD2-CD1 4.41Å; L70-Y111 HydrophobicContact CD1-CD2 4.23Å; L70-Y111 HydrophobicContact CD1-CE2 4.42Å; L70-Y111 HydrophobicContact CD2-CD2 3.57Å; L70-Y111 HydrophobicContact CD2-CE2 4.44Å; L70-Y111 HydrophobicContact CD2-CG 4.27Å
71T67.7Low66Low117 Ų11772.7 Ų72.772%0.71845%0.453SS*.G310 helixtrans-78.9-12.4175.667.60000112.8V68 F69V68-T71 WeakPolarHBondContact O-CB 3.4Å; V68-T71 PolarHBondContact O-N 3.26Å; V68-T71 PolarHBondContact O-OG1 3.1Å; F69-T71 PolarHBondContact O-N 3.42Å
72A64.7Low68.3Low25 Ų2567.2 Ų67.221%0.20742%0.424CS..SBendtrans-67.5138.4-176.800000112.2F69 L70 G74 V75 Y106F69-A72 VanDerWaalsContact O-CB 3.3Å; F69-A72 WeakPolarHBondContact O-CB 3.19Å; F69-A72 PolarHBondContact O-N 3.35Å; L70-A72 VanDerWaalsContact C-N 3.28Å; A72-G74 PolarHBondContact O-N 3.06Å; A72-V75 HydrophobicContact CB-CG2 3.96Å; A72-V75 VanDerWaalsContact O-CG2 3.25Å; A72-V75 WeakPolarHBondContact O-CG2 3.38Å; A72-V75 PolarHBondContact O-N 3.22Å; A72-Y106 HydrophobicContact CB-CD2 3.64Å; A72-Y106 HydrophobicContact CB-CE2 3.81Å
73P63Low70.9Confident118 Ų11868.6 Ų68.677%0.76641%0.413SS*.THydrogen-bonded Turntrans-56.6133.9178.6-26.434.3000113.1V75 Y106P73-V75 VanDerWaalsContact C-N 3.33Å; P73-V75 PolarHBondContact O-N 3.28Å; P73-Y106 WeakPolarHBondContact O-CE2 3.39Å; P73-Y106 PolarHBondContact O-OH 3.03Å
74G65.1Low73.6Confident59 Ų5970.8 Ų70.861%0.60841%0.414SS*.THydrogen-bonded Turntrans80.86175.500000115.5A72 L76A72-G74 PolarHBondContact O-N 3.06Å; G74-L76 PolarHBondContact O-N 3.27Å
75V67.2Low75.7Confident21 Ų2169.9 Ų69.913%0.12740%0.403CS..  trans-58.4135.7165.51730000109.6F69 L70 A72 P73 L77 Y106F69-V75 WeakPolarHBondContact O-CG2 3.27Å; L70-V75 HydrophobicContact CD2-CG1 4.02Å; A72-V75 HydrophobicContact CB-CG2 3.96Å; A72-V75 VanDerWaalsContact O-CG2 3.25Å; A72-V75 WeakPolarHBondContact O-CG2 3.38Å; A72-V75 PolarHBondContact O-N 3.22Å; P73-V75 VanDerWaalsContact C-N 3.33Å; P73-V75 PolarHBondContact O-N 3.28Å; V75-L77 HydrophobicContact CG1-CD2 3.84Å; V75-L77 HydrophobicContact CG1-CG 4.45Å; V75-Y106 HydrophobicContact CG2-CD2 4.41Å; V75-Y106 HydrophobicContact CG2-CE2 3.88Å
76L72Confident77.6Confident70 Ų7066.8 Ų66.837%0.36639%0.387SS..  trans-91.5105.3179.4-68.4172.8000110G74 C78 P112 F190G74-L76 PolarHBondContact O-N 3.27Å; L76-C78 PolarHBondContact O-N 2.86Å; L76-P112 HydrophobicContact CB-CG 4.29Å; L76-P112 VanDerWaalsContact O-CD 3.3Å; L76-P112 WeakPolarHBondContact O-CD 3.42Å; L76-F190 HydrophobicContact CD1-CB 3.9Å; L76-F190 HydrophobicContact CD1-CD2 3.3Å; L76-F190 HydrophobicContact CD1-CE2 4.2Å; L76-F190 HydrophobicContact CD1-CG 3.88Å
77L80.4Confident78.8Confident114 Ų11468.6 Ų68.660%0.59738%0.384SS*.  trans-89.990.6174.7-57179.4000109.2L70 V75 Y111L70-L77 HydrophobicContact CD2-CD2 3.91Å; V75-L77 HydrophobicContact CG1-CD2 3.84Å; V75-L77 HydrophobicContact CG1-CG 4.45Å; L77-Y111 HydrophobicContact CD2-CD1 4.42Å; L77-Y111 HydrophobicContact CD2-CD2 3.82Å; L77-Y111 HydrophobicContact CD2-CE2 4.02Å; L77-Y111 HydrophobicContact CD2-CG 4.03Å
78C85.1Confident79.7Confident41 Ų4173.7 Ų73.728%0.27741%0.411SS..  trans-135.1105.3178.4-172.60000109.4L76 Y80 P112L76-C78 PolarHBondContact O-N 2.86Å; C78-Y80 VanDerWaalsContact O-CE2 3.32Å; C78-Y80 WeakPolarHBondContact O-CE2 3.27Å; C78-Y80 WeakPolarHBondContact SG-CE1 3.41Å; C78-P112 HydrophobicContact CB-CB 4.42Å
79D87Confident80.8Confident42 Ų4270.5 Ų70.523%0.22539%0.392CS..  trans-93.9-1.2-17565.37.2000113.5Q81 L82 R87 Y111D79-Q81 PolarHBondContact O-N 2.57Å; D79-Q81 VanDerWaalsContact O-N 3.15Å; D79-Q81 PolarHBondContact OD1-N 3.22Å; D79-L82 WeakPolarHBondContact O-CG 3.38Å; D79-L82 PolarHBondContact O-N 2.78Å; D79-L82 VanDerWaalsContact O-N 3.07Å; D79-R87 VanDerWaalsContact OD2-CD 3.25Å; D79-R87 WeakPolarHBondContact OD2-CD 3.48Å; D79-Y111 HydrophobicContact CB-CE1 4.13Å
80Y89.5Confident82Confident33 Ų3370 Ų7013%0.12939%0.39CS..THydrogen-bonded Turntrans54.730.8179.8-55.1-71000115.2C78 L82 P112 A115 L116 H119 Y195 K198C78-Y80 VanDerWaalsContact O-CE2 3.32Å; C78-Y80 WeakPolarHBondContact O-CE2 3.27Å; C78-Y80 WeakPolarHBondContact SG-CE1 3.41Å; Y80-L82 VanDerWaalsContact C-N 3.31Å; Y80-P112 HydrophobicContact CE2-CB 3.81Å; Y80-P112 VanDerWaalsContact CE2-O 3.3Å; Y80-P112 WeakPolarHBondContact CE2-O 3.15Å; Y80-P112 WeakPolarHBondContact OH-CB 3.3Å; Y80-A115 HydrophobicContact CD2-CB 3.82Å; Y80-A115 HydrophobicContact CE2-CB 4.2Å; Y80-L116 HydrophobicContact CD1-CD2 4.49Å; Y80-L116 HydrophobicContact CD2-CD2 3.89Å; Y80-L116 HydrophobicContact CD2-CG 3.81Å; Y80-L116 HydrophobicContact CE2-CD1 4.1Å; Y80-L116 HydrophobicContact CE2-CD2 3.97Å; Y80-L116 HydrophobicContact CE2-CG 3.53Å; Y80-L116 HydrophobicContact CG-CD2 4.17Å; Y80-H119 WeakPolarHBondContact CB-NE2 3.31Å; Y80-H119 PolarHBondContact O-NE2 3.23Å; Y80-Y195 AromaticContact CD1-CD2 3.66Å; Y80-Y195 HydrophobicContact CD1-CD2 3.66Å; Y80-Y195 HydrophobicContact CD1-CE2 4.09Å; Y80-Y195 HydrophobicContact CE1-CD2 4.47Å; Y80-Y195 AromaticContact CG-CD2 3.97Å; Y80-Y195 HydrophobicContact CG-CD2 3.97Å; Y80-Y195 AromaticContact CG-CE2 3.94Å; Y80-Y195 HydrophobicContact CG-CE2 3.94Å; Y80-K198 HydrophobicContact CE1-CD 3.4Å; Y80-K198 VanDerWaalsContact CE1-NZ 3.31Å; Y80-K198 WeakPolarHBondContact OH-CD 3.48Å; Y80-K198 PolarHBondContact OH-NZ 2.82Å
81Q89.8Confident82.8Confident184 Ų18471.3 Ų71.386%0.8640%0.396SS*.THydrogen-bonded Turntrans64.934.6-178.1-47.6172.8-26.600112.7D79 N83D79-Q81 PolarHBondContact O-N 2.57Å; D79-Q81 VanDerWaalsContact O-N 3.15Å; D79-Q81 PolarHBondContact OD1-N 3.22Å; Q81-N83 PolarHBondContact O-N 3.18Å
82L91Very high83.8Confident12 Ų1270 Ų706%0.06338%0.382CS..  trans-49.5137.5160.9-77.6168.5000109.5D79 Y80 R87 L90 A115 L118D79-L82 WeakPolarHBondContact O-CG 3.38Å; D79-L82 PolarHBondContact O-N 2.78Å; D79-L82 VanDerWaalsContact O-N 3.07Å; Y80-L82 VanDerWaalsContact C-N 3.31Å; L82-R87 HydrophobicContact CB-CG 3.9Å; L82-L90 HydrophobicContact CD1-CB 4.29Å; L82-L90 HydrophobicContact CD1-CD2 4Å; L82-A115 HydrophobicContact CD1-CB 3.98Å; L82-L118 HydrophobicContact CD1-CB 4.41Å; L82-L118 HydrophobicContact CD1-CD1 4.34Å; L82-L118 HydrophobicContact CD2-CB 4.08Å
83N93.3Very high85Confident106 Ų10668.9 Ų68.957%0.56737%0.373SS*.  trans-66.6174.2173.565.713.8000110.3Q81 T85 G86 R87Q81-N83 PolarHBondContact O-N 3.18Å; N83-T85 VanDerWaalsContact C-N 3.32Å; N83-T85 PolarHBondContact O-N 3.12Å; N83-G86 PolarHBondContact O-N 2.8Å; N83-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 PolarHBondContact OD1-N 3.16Å; N83-R87 WeakPolarHBondContact O-CG 3.39Å; N83-R87 PolarHBondContact O-N 3.47Å
84E89.7Confident86.2Confident143 Ų14363.3 Ų63.367%0.66834%0.336SS*.Hα-helixtrans-54.1-47.5-177.4-172.5174.8-172.400112.9G86 R87 L88E84-G86 PolarHBondContact O-N 3.13Å; E84-R87 PolarHBondContact O-N 3.09Å; E84-L88 WeakPolarHBondContact O-CG 3.17Å; E84-L88 PolarHBondContact O-N 3.43Å; E84-L88 VanDerWaalsContact O-N 3.14Å
85T91.8Very high87Confident96 Ų9661.1 Ų61.159%0.58931%0.311SS*.Hα-helixtrans-58.2-47.9175.2-45.90000111.7N83 R87 L88 T89N83-T85 VanDerWaalsContact C-N 3.32Å; N83-T85 PolarHBondContact O-N 3.12Å; T85-R87 VanDerWaalsContact C-N 3.31Å; T85-R87 PolarHBondContact O-N 2.8Å; T85-L88 WeakPolarHBondContact O-CB 3.46Å; T85-L88 PolarHBondContact O-N 3.26Å; T85-L88 VanDerWaalsContact O-N 3.16Å; T85-T89 PolarHBondContact O-N 2.93Å; T85-T89 PolarHBondContact O-OG1 3.36Å
86G92.2Very high87.9Confident10 Ų1060.1 Ų60.110%0.10331%0.305CS..Hα-helixtrans-63.6-33.8-179.300000113.2N83 E84 L90N83-G86 PolarHBondContact O-N 2.8Å; N83-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 PolarHBondContact OD1-N 3.16Å; E84-G86 PolarHBondContact O-N 3.13Å; G86-L90 WeakPolarHBondContact O-CB 3.33Å; G86-L90 PolarHBondContact O-N 3Å
87R90.9Very high88.5Confident119 Ų11956.8 Ų56.845%0.44929%0.288SS..Hα-helixtrans-68.4-40.5173.5-68.6-174.9-60.9-154-0.1111.9D79 L82 N83 E84 T85 L90 I91D79-R87 VanDerWaalsContact OD2-CD 3.25Å; D79-R87 WeakPolarHBondContact OD2-CD 3.48Å; L82-R87 HydrophobicContact CB-CG 3.9Å; N83-R87 WeakPolarHBondContact O-CG 3.39Å; N83-R87 PolarHBondContact O-N 3.47Å; E84-R87 PolarHBondContact O-N 3.09Å; T85-R87 VanDerWaalsContact C-N 3.31Å; T85-R87 PolarHBondContact O-N 2.8Å; R87-L90 WeakPolarHBondContact O-CB 3.33Å; R87-L90 PolarHBondContact O-N 3.43Å; R87-I91 WeakPolarHBondContact O-CG1 3.46Å; R87-I91 PolarHBondContact O-N 3.49Å; R87-I91 VanDerWaalsContact O-N 3.09Å
88L87.6Confident88.4Confident108 Ų10853.1 Ų53.157%0.56527%0.267SS*.Hα-helixtrans-63.3-46.3174.2-67.2172.9000111.1E84 T85 L90 I91 Q92E84-L88 WeakPolarHBondContact O-CG 3.17Å; E84-L88 PolarHBondContact O-N 3.43Å; E84-L88 VanDerWaalsContact O-N 3.14Å; T85-L88 WeakPolarHBondContact O-CB 3.46Å; T85-L88 PolarHBondContact O-N 3.26Å; T85-L88 VanDerWaalsContact O-N 3.16Å; L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 PolarHBondContact O-N 3.16Å; L88-I91 PolarHBondContact O-N 3.08Å; L88-Q92 WeakPolarHBondContact O-CG 3.41Å; L88-Q92 PolarHBondContact O-N 3.17Å
89T91.8Very high88Confident30 Ų3057.1 Ų57.118%0.18428%0.282CS..Hα-helixtrans-59.8-37.9174.8-56.50000112.1T85 Q92 L93 L118 D123T85-T89 PolarHBondContact O-N 2.93Å; T85-T89 PolarHBondContact O-OG1 3.36Å; T89-Q92 PolarHBondContact O-N 2.95Å; T89-L93 VanDerWaalsContact O-CB 3.25Å; T89-L93 WeakPolarHBondContact O-CB 3.44Å; T89-L93 PolarHBondContact O-N 3.05Å; T89-L118 HydrophobicContact CG2-CD1 4.27Å; T89-L118 HydrophobicContact CG2-CD2 3.93Å; T89-D123 HydrophobicContact CG2-CB 3.54Å
90L92.2Very high87.6Confident0 Ų056.7 Ų56.70%028%0.284CS..Hα-helixtrans-62.1-45.7175.4178.758.9000111.9L82 G86 R87 L88 L93 L94 Y111 C114 A115 L118L82-L90 HydrophobicContact CD1-CB 4.29Å; L82-L90 HydrophobicContact CD1-CD2 4Å; G86-L90 WeakPolarHBondContact O-CB 3.33Å; G86-L90 PolarHBondContact O-N 3Å; R87-L90 WeakPolarHBondContact O-CB 3.33Å; R87-L90 PolarHBondContact O-N 3.43Å; L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 PolarHBondContact O-N 3.16Å; L90-L93 PolarHBondContact O-N 3.29Å; L90-L94 HydrophobicContact CD1-CD1 3.97Å; L90-L94 HydrophobicContact CD1-CG 4.08Å; L90-L94 HydrophobicContact CG-CD1 4.04Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 WeakPolarHBondContact O-CG 3.41Å; L90-L94 PolarHBondContact O-N 2.94Å; L90-Y111 HydrophobicContact CD2-CD1 4.31Å; L90-Y111 HydrophobicContact CD2-CD2 4.38Å; L90-Y111 HydrophobicContact CD2-CE1 3.75Å; L90-Y111 HydrophobicContact CD2-CE2 3.85Å; L90-Y111 VanDerWaalsContact CD2-CZ 3.49Å; L90-Y111 HydrophobicContact CG-CE2 4.37Å; L90-C114 HydrophobicContact CD1-CB 3.45Å; L90-C114 VanDerWaalsContact CD1-CB 3.45Å; L90-A115 HydrophobicContact CD1-CB 4.38Å; L90-A115 HydrophobicContact CD2-CB 3.81Å; L90-L118 HydrophobicContact CB-CD1 3.65Å; L90-L118 HydrophobicContact CD1-CD1 3.98Å; L90-L118 HydrophobicContact CG-CD1 4.41Å
91I86.9Confident86.9Confident49 Ų4957.3 Ų57.325%0.25129%0.286SS..Hα-helixtrans-62-48.7176.9-64-57.6000110.2L70 R87 L88 L93 L94 T95 Y111L70-I91 HydrophobicContact CD1-CD1 4.24Å; R87-I91 WeakPolarHBondContact O-CG1 3.46Å; R87-I91 PolarHBondContact O-N 3.49Å; R87-I91 VanDerWaalsContact O-N 3.09Å; L88-I91 PolarHBondContact O-N 3.08Å; I91-L93 VanDerWaalsContact C-N 3.35Å; I91-L93 PolarHBondContact O-N 2.91Å; I91-L94 PolarHBondContact O-N 2.78Å; I91-L94 VanDerWaalsContact O-N 3.14Å; I91-T95 PolarHBondContact O-N 3.16Å; I91-T95 PolarHBondContact O-OG1 3.48Å; I91-Y111 HydrophobicContact CD1-CE2 4.43Å
92Q88Confident85.9Confident91 Ų9153.5 Ų53.543%0.42528%0.277SS..Hα-helixtrans-56.7-45.8177.3-71.1173.7-29.200112.6I55 L88 T89 L94 T95 A96I55-Q92 HydrophobicContact CD1-CB 4.22Å; L88-Q92 WeakPolarHBondContact O-CG 3.41Å; L88-Q92 PolarHBondContact O-N 3.17Å; T89-Q92 PolarHBondContact O-N 2.95Å; Q92-L94 PolarHBondContact O-N 3.35Å; Q92-T95 PolarHBondContact O-N 3.06Å; Q92-A96 WeakPolarHBondContact O-CB 3.46Å; Q92-A96 PolarHBondContact O-N 3.46Å
93L90.7Very high84.5Confident1 Ų155.8 Ų55.81%0.00529%0.29CS..Hα-helixtrans-58.4-47.4175.9170.261.6000111.6F51 T89 L90 I91 A96 I97 C114 L118 A126 F127F51-L93 HydrophobicContact CE2-CD1 4.24Å; T89-L93 VanDerWaalsContact O-CB 3.25Å; T89-L93 WeakPolarHBondContact O-CB 3.44Å; T89-L93 PolarHBondContact O-N 3.05Å; L90-L93 PolarHBondContact O-N 3.29Å; I91-L93 VanDerWaalsContact C-N 3.35Å; I91-L93 PolarHBondContact O-N 2.91Å; L93-A96 PolarHBondContact O-N 2.89Å; L93-I97 HydrophobicContact CD1-CD1 3.83Å; L93-I97 HydrophobicContact CD1-CG1 4.32Å; L93-I97 HydrophobicContact CG-CD1 3.94Å; L93-I97 WeakPolarHBondContact O-CD1 3.27Å; L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.45Å; L93-I97 PolarHBondContact O-N 3.24Å; L93-C114 HydrophobicContact CD2-CB 3.82Å; L93-L118 HydrophobicContact CD2-CD1 4.3Å; L93-L118 HydrophobicContact CD2-CD2 4.26Å; L93-L118 HydrophobicContact CD2-CG 4.27Å; L93-A126 HydrophobicContact CD2-CB 3.77Å; L93-F127 HydrophobicContact CD1-CB 3.61Å; L93-F127 HydrophobicContact CD1-CD2 4.05Å; L93-F127 HydrophobicContact CD1-CG 4.35Å
94L88.1Confident83.3Confident0 Ų051.5 Ų51.50%027%0.266CS..Hα-helixtrans-66.9-39-179.6-70.2174.8000112.1P67 F69 L70 L90 I91 Q92 I97 E98 L110 Y111 C114P67-L94 HydrophobicContact CB-CB 4.47Å; P67-L94 HydrophobicContact CG-CB 3.62Å; F69-L94 HydrophobicContact CE1-CB 4.2Å; F69-L94 HydrophobicContact CE1-CD2 4.44Å; F69-L94 HydrophobicContact CZ-CB 4.3Å; F69-L94 HydrophobicContact CZ-CD1 4.17Å; F69-L94 HydrophobicContact CZ-CD2 3.88Å; F69-L94 HydrophobicContact CZ-CG 4.34Å; L70-L94 HydrophobicContact CD1-CD1 4.4Å; L70-L94 HydrophobicContact CD2-CD1 4.41Å; L90-L94 HydrophobicContact CD1-CD1 3.97Å; L90-L94 HydrophobicContact CD1-CG 4.08Å; L90-L94 HydrophobicContact CG-CD1 4.04Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 WeakPolarHBondContact O-CG 3.41Å; L90-L94 PolarHBondContact O-N 2.94Å; I91-L94 PolarHBondContact O-N 2.78Å; I91-L94 VanDerWaalsContact O-N 3.14Å; Q92-L94 PolarHBondContact O-N 3.35Å; L94-I97 HydrophobicContact CD2-CD1 4.45Å; L94-I97 PolarHBondContact O-N 3.01Å; L94-E98 PolarHBondContact O-N 3.42Å; L94-L110 HydrophobicContact CD2-CD2 4.17Å; L94-L110 HydrophobicContact CD2-CG 3.8Å; L94-Y111 HydrophobicContact CD1-CD2 3.43Å; L94-Y111 VanDerWaalsContact CD1-CD2 3.43Å; L94-Y111 HydrophobicContact CD1-CE2 4.02Å; L94-Y111 HydrophobicContact CD1-CG 4.2Å; L94-C114 HydrophobicContact CD2-CB 3.98Å
95T82Confident82Confident13 Ų1348.3 Ų48.38%0.0826%0.257CS..Hα-helixtrans-65.6-41.6176.1-49.90000110.4Q58 V65 P67 I91 Q92 I97 E98 H99Q58-T95 VanDerWaalsContact NE2-CG2 3.27Å; Q58-T95 PolarHBondContact NE2-O 3.14Å; V65-T95 HydrophobicContact CB-CG2 4.31Å; V65-T95 HydrophobicContact CG1-CG2 4.31Å; V65-T95 PolarHBondContact O-OG1 2.93Å; P67-T95 WeakPolarHBondContact CD-OG1 3.3Å; P67-T95 WeakPolarHBondContact CG-OG1 3.38Å; I91-T95 PolarHBondContact O-N 3.16Å; I91-T95 PolarHBondContact O-OG1 3.48Å; Q92-T95 PolarHBondContact O-N 3.06Å; T95-I97 VanDerWaalsContact C-N 3.32Å; T95-I97 PolarHBondContact O-N 3.47Å; T95-E98 PolarHBondContact O-N 3.04Å; T95-H99 WeakPolarHBondContact O-CB 3.47Å; T95-H99 PolarHBondContact O-N 3.28Å
96A85.9Confident80.8Confident0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-63-37.5174.200000112.4F51 L54 I55 Q92 L93 A100 F127F51-A96 HydrophobicContact CD2-CB 4.24Å; F51-A96 HydrophobicContact CE2-CB 3.96Å; L54-A96 HydrophobicContact CB-CB 4.45Å; I55-A96 HydrophobicContact CD1-CB 3.94Å; Q92-A96 WeakPolarHBondContact O-CB 3.46Å; Q92-A96 PolarHBondContact O-N 3.46Å; L93-A96 PolarHBondContact O-N 2.89Å; A96-A100 VanDerWaalsContact O-CB 3.26Å; A96-A100 WeakPolarHBondContact O-CB 3.36Å; A96-A100 PolarHBondContact O-N 3.44Å; A96-F127 HydrophobicContact CB-CD2 4.37Å; A96-F127 HydrophobicContact CB-CE2 4.14Å
97I84.7Confident80.2Confident0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-66.1-46175.3-70.8160.8000111.2L93 L94 T95 A100 R101 F104 L110 F127 T130 L134L93-I97 HydrophobicContact CD1-CD1 3.83Å; L93-I97 HydrophobicContact CD1-CG1 4.32Å; L93-I97 HydrophobicContact CG-CD1 3.94Å; L93-I97 WeakPolarHBondContact O-CD1 3.27Å; L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.45Å; L93-I97 PolarHBondContact O-N 3.24Å; L94-I97 HydrophobicContact CD2-CD1 4.45Å; L94-I97 PolarHBondContact O-N 3.01Å; T95-I97 VanDerWaalsContact C-N 3.32Å; T95-I97 PolarHBondContact O-N 3.47Å; I97-A100 PolarHBondContact O-N 3Å; I97-R101 WeakPolarHBondContact O-CB 3.49Å; I97-R101 PolarHBondContact O-N 2.93Å; I97-F104 HydrophobicContact CG2-CE1 3.89Å; I97-F104 HydrophobicContact CG2-CZ 4.22Å; I97-L110 HydrophobicContact CG2-CD2 4.18Å; I97-F127 HydrophobicContact CG1-CD2 3.76Å; I97-F127 HydrophobicContact CG1-CE2 3.96Å; I97-T130 HydrophobicContact CD1-CG2 3.65Å; I97-T130 HydrophobicContact CG1-CG2 4.44Å; I97-L134 HydrophobicContact CG2-CD1 3.67Å
98E78.4Confident79.5Confident37 Ų3740 Ų4017%0.17321%0.214CC..Hα-helixtrans-60.5-45.2177.3-175.5171.6-122.300111.2P67 V68 F69 L94 T95 A100 R101 P102 F104P67-E98 WeakPolarHBondContact CA-OE2 3.21Å; P67-E98 WeakPolarHBondContact CB-OE2 3.3Å; V68-E98 WeakPolarHBondContact CB-OE1 3.33Å; V68-E98 PolarHBondContact N-OE1 2.87Å; V68-E98 PolarHBondContact N-OE2 3.29Å; F69-E98 PolarHBondContact N-OE1 3.14Å; L94-E98 PolarHBondContact O-N 3.42Å; T95-E98 PolarHBondContact O-N 3.04Å; E98-A100 PolarHBondContact O-N 3.06Å; E98-R101 CarbonylContact O-C 3.08Å; E98-R101 PolarHBondContact O-N 2.77Å; E98-P102 VanDerWaalsContact O-N 3.13Å; E98-F104 HydrophobicContact CB-CZ 4.06Å; E98-F104 HydrophobicContact CG-CZ 4.39Å
99H77Confident79.3Confident125 Ų12535.9 Ų35.958%0.57919%0.192SC*.Hα-helixtrans-63.5-39.6175.8-170.795000112.5L54 T95 R101L54-H99 WeakPolarHBondContact CD2-CD2 3.48Å; T95-H99 WeakPolarHBondContact O-CB 3.47Å; T95-H99 PolarHBondContact O-N 3.28Å; H99-R101 VanDerWaalsContact C-N 3.27Å; H99-R101 PolarHBondContact O-N 3.09Å
100A79Confident79.1Confident33 Ų3334.4 Ų34.427%0.27318%0.183SC..Hα-helixtrans-72-20.4177.500000113.6L54 A96 I97 E98 F127 M131L54-A100 HydrophobicContact CD1-CB 3.94Å; A96-A100 VanDerWaalsContact O-CB 3.26Å; A96-A100 WeakPolarHBondContact O-CB 3.36Å; A96-A100 PolarHBondContact O-N 3.44Å; I97-A100 PolarHBondContact O-N 3Å; E98-A100 PolarHBondContact O-N 3.06Å; A100-F127 HydrophobicContact CB-CE2 4.36Å; A100-F127 HydrophobicContact CB-CZ 4.08Å; A100-M131 HydrophobicContact CB-CE 3.92Å; A100-M131 HydrophobicContact CB-SD 4.32Å
101R73.2Confident79Confident47 Ų4735.7 Ų35.718%0.17719%0.188CC..  trans-142.269.6-174.6-67.1-64.1-60-86-2.9110.3I97 E98 H99 D103 F104 M131 L134I97-R101 WeakPolarHBondContact O-CB 3.49Å; I97-R101 PolarHBondContact O-N 2.93Å; E98-R101 CarbonylContact O-C 3.08Å; E98-R101 PolarHBondContact O-N 2.77Å; H99-R101 VanDerWaalsContact C-N 3.27Å; H99-R101 PolarHBondContact O-N 3.09Å; R101-D103 VanDerWaalsContact C-OD1 3.3Å; R101-D103 VanDerWaalsContact CA-OD1 3.29Å; R101-D103 WeakPolarHBondContact CA-OD1 3.39Å; R101-D103 WeakPolarHBondContact CB-OD1 3.4Å; R101-D103 IonicContact CZ-OD1 2.88Å; R101-D103 IonicContact CZ-OD2 3.62Å; R101-D103 IonicContact NE-OD1 2.75Å; R101-D103 PolarHBondContact NE-OD1 2.87Å; R101-D103 IonicContact NE-OD2 3.1Å; R101-D103 PolarHBondContact NE-OD2 3.26Å; R101-D103 IonicContact NH2-OD1 3.55Å; R101-D103 IonicContact NH2-OD2 3.51Å; R101-D103 PolarHBondContact NH2-OD2 2.79Å; R101-D103 PolarHBondContact O-N 2.62Å; R101-F104 HydrophobicContact CB-CD1 3.64Å; R101-F104 HydrophobicContact CB-CE1 3.78Å; R101-F104 WeakPolarHBondContact O-CD1 3.34Å; R101-F104 WeakPolarHBondContact O-CE1 3.4Å; R101-M131 HydrophobicContact CG-CE 3.73Å; R101-M131 HydrophobicContact CG-SD 3.79Å; R101-L134 HydrophobicContact CG-CD1 4.46Å; R101-L134 PolarHBondContact NH1-O 2.78Å
102P68.5Low79.1Confident103 Ų10333.6 Ų33.667%0.66918%0.178SC*.THydrogen-bonded Turntrans-67-6.4178.429.1-35.9000112.9E98E98-P102 VanDerWaalsContact O-N 3.13Å
103D63.5Low79.3Confident61 Ų6129.4 Ų29.433%0.32616%0.158SC..THydrogen-bonded Turntrans-78.5-22.7-17664.4-63.6000114.8R101 Y359R101-D103 VanDerWaalsContact C-OD1 3.3Å; R101-D103 VanDerWaalsContact CA-OD1 3.29Å; R101-D103 WeakPolarHBondContact CA-OD1 3.39Å; R101-D103 WeakPolarHBondContact CB-OD1 3.4Å; R101-D103 IonicContact CZ-OD1 2.88Å; R101-D103 IonicContact CZ-OD2 3.62Å; R101-D103 IonicContact NE-OD1 2.75Å; R101-D103 PolarHBondContact NE-OD1 2.87Å; R101-D103 IonicContact NE-OD2 3.1Å; R101-D103 PolarHBondContact NE-OD2 3.26Å; R101-D103 IonicContact NH2-OD1 3.55Å; R101-D103 IonicContact NH2-OD2 3.51Å; R101-D103 PolarHBondContact NH2-OD2 2.79Å; R101-D103 PolarHBondContact O-N 2.62Å; D103-Y359 HydrophobicContact CB-CE2 4.37Å; D103-Y359 WeakPolarHBondContact CB-OH 3.3Å
104F68.1Low79.5Confident15 Ų1529.4 Ų29.47%0.06616%0.158CC..  trans-82.9131.4-178.670.6-102000111F69 I97 E98 R101 I107 L110 Q143F69-F104 HydrophobicContact CB-CE2 3.97Å; F69-F104 AromaticContact CD1-CE2 3.85Å; F69-F104 HydrophobicContact CD1-CE2 3.85Å; F69-F104 HydrophobicContact CD1-CZ 4.17Å; F69-F104 HydrophobicContact CD2-CE2 4.5Å; F69-F104 HydrophobicContact CE1-CE2 4.49Å; F69-F104 AromaticContact CG-CE2 3.85Å; F69-F104 HydrophobicContact CG-CE2 3.85Å; I97-F104 HydrophobicContact CG2-CE1 3.89Å; I97-F104 HydrophobicContact CG2-CZ 4.22Å; E98-F104 HydrophobicContact CB-CZ 4.06Å; E98-F104 HydrophobicContact CG-CZ 4.39Å; R101-F104 HydrophobicContact CB-CD1 3.64Å; R101-F104 HydrophobicContact CB-CE1 3.78Å; R101-F104 WeakPolarHBondContact O-CD1 3.34Å; R101-F104 WeakPolarHBondContact O-CE1 3.4Å; F104-I107 HydrophobicContact CB-CD1 3.69Å; F104-I107 HydrophobicContact CB-CG1 4.18Å; F104-I107 HydrophobicContact CD1-CD1 3.94Å; F104-I107 HydrophobicContact CD2-CD1 3.54Å; F104-I107 HydrophobicContact CD2-CG1 3.99Å; F104-I107 HydrophobicContact CE2-CD1 4.15Å; F104-I107 HydrophobicContact CG-CD1 3.45Å; F104-I107 VanDerWaalsContact CG-CD1 3.45Å; F104-I107 HydrophobicContact CG-CG1 4.2Å; F104-L110 HydrophobicContact CE2-CD2 4.14Å; F104-L110 HydrophobicContact CZ-CD2 4Å; F104-Q143 HydrophobicContact CB-CB 4.36Å
105T60.4Low79.8Confident77 Ų7729.4 Ų29.447%0.47216%0.158SC..  trans-96.3-31.2-179.156.10000112.2Q143T105-Q143 PolarHBondContact OG1-O 3.29Å
106Y68.6Low80.3Confident33 Ų3329.3 Ų29.313%0.12916%0.157CC..  trans-161.7112.9-173.8-174.1-114.3000113.4A72 P73 V75 P108 Q143 T144 D145 V148A72-Y106 HydrophobicContact CB-CD2 3.64Å; A72-Y106 HydrophobicContact CB-CE2 3.81Å; P73-Y106 WeakPolarHBondContact O-CE2 3.39Å; P73-Y106 PolarHBondContact O-OH 3.03Å; V75-Y106 HydrophobicContact CG2-CD2 4.41Å; V75-Y106 HydrophobicContact CG2-CE2 3.88Å; Y106-P108 HydrophobicContact CD1-CG 3.9Å; Y106-P108 HydrophobicContact CE1-CG 3.35Å; Y106-Q143 PolarHBondContact N-O 2.9Å; Y106-Q143 CarbonylContact O-C 3.57Å; Y106-Q143 VanDerWaalsContact O-CA 3.3Å; Y106-Q143 WeakPolarHBondContact O-CA 3.4Å; Y106-Q143 VanDerWaalsContact O-O 3.12Å; Y106-T144 PolarHBondContact O-N 2.7Å; Y106-D145 HydrophobicContact CD1-CB 4.3Å; Y106-V148 HydrophobicContact CD1-CG2 4.02Å; Y106-V148 HydrophobicContact CE1-CB 4.41Å; Y106-V148 HydrophobicContact CE1-CG1 4.45Å; Y106-V148 HydrophobicContact CE1-CG2 3.98Å
107I78.9Confident80.7Confident1 Ų129.3 Ų29.31%0.00516%0.157CC..  trans-12892176.4-53.8166000109.6F104 I109 L110 L134 L141 Q143F104-I107 HydrophobicContact CB-CD1 3.69Å; F104-I107 HydrophobicContact CB-CG1 4.18Å; F104-I107 HydrophobicContact CD1-CD1 3.94Å; F104-I107 HydrophobicContact CD2-CD1 3.54Å; F104-I107 HydrophobicContact CD2-CG1 3.99Å; F104-I107 HydrophobicContact CE2-CD1 4.15Å; F104-I107 HydrophobicContact CG-CD1 3.45Å; F104-I107 VanDerWaalsContact CG-CD1 3.45Å; F104-I107 HydrophobicContact CG-CG1 4.2Å; I107-I109 HydrophobicContact CG2-CG2 4.29Å; I107-I109 PolarHBondContact O-N 3.36Å; I107-L110 HydrophobicContact CB-CB 3.9Å; I107-L110 HydrophobicContact CD1-CD2 4.2Å; I107-L110 HydrophobicContact CG2-CB 3.74Å; I107-L110 WeakPolarHBondContact O-CB 3.47Å; I107-L110 PolarHBondContact O-N 3Å; I107-L110 VanDerWaalsContact O-N 3.08Å; I107-L134 HydrophobicContact CD1-CD2 3.48Å; I107-L134 VanDerWaalsContact CD1-CD2 3.48Å; I107-L141 HydrophobicContact CG2-CB 4.37Å; I107-Q143 HydrophobicContact CD1-CB 4.46Å; I107-Q143 HydrophobicContact CD1-CG 4.17Å; I107-Q143 HydrophobicContact CG1-CB 4.05Å; I107-Q143 HydrophobicContact CG1-CG 4.08Å
108P76.7Confident81.3Confident16 Ų1630.6 Ų30.610%0.10416%0.164CC..THydrogen-bonded Turntrans-55.7-31.4-173-27.731.6000116Y106 V148 F190Y106-P108 HydrophobicContact CD1-CG 3.9Å; Y106-P108 HydrophobicContact CE1-CG 3.35Å; P108-V148 HydrophobicContact CG-CG1 4.42Å; P108-V148 HydrophobicContact CG-CG2 3.66Å; P108-F190 HydrophobicContact CB-CE2 4.39Å
109I83.3Confident82.1Confident21 Ų2132.2 Ų32.211%0.10817%0.171CC..THydrogen-bonded Turntrans-93.3-5.9-175.3-155.5-164.1000112.9I107 Y111 P112 L113 L141 F190I107-I109 HydrophobicContact CG2-CG2 4.29Å; I107-I109 PolarHBondContact O-N 3.36Å; I109-Y111 PolarHBondContact O-N 3.26Å; I109-P112 VanDerWaalsContact C-CD 3.47Å; I109-P112 HydrophobicContact CG1-CG 4.09Å; I109-P112 WeakPolarHBondContact O-CD 3.35Å; I109-P112 VanDerWaalsContact O-CG 3.3Å; I109-P112 WeakPolarHBondContact O-CG 3.38Å; I109-L113 HydrophobicContact CG1-CB 4.5Å; I109-L113 WeakPolarHBondContact O-CB 3.48Å; I109-L113 PolarHBondContact O-N 3.03Å; I109-L141 HydrophobicContact CG2-CD2 3.53Å; I109-F190 HydrophobicContact CB-CE1 3.79Å; I109-F190 HydrophobicContact CB-CE2 4Å; I109-F190 HydrophobicContact CB-CZ 3.47Å; I109-F190 VanDerWaalsContact CB-CZ 3.47Å; I109-F190 HydrophobicContact CD1-CD1 3.77Å; I109-F190 HydrophobicContact CD1-CE1 3.16Å; I109-F190 HydrophobicContact CD1-CZ 3.8Å; I109-F190 HydrophobicContact CG1-CD1 3.72Å; I109-F190 HydrophobicContact CG1-CE1 3.3Å; I109-F190 HydrophobicContact CG1-CE2 4.23Å; I109-F190 HydrophobicContact CG1-CG 4.41Å; I109-F190 HydrophobicContact CG1-CZ 3.57Å; I109-F190 HydrophobicContact CG2-CZ 4.37Å
110L88.1Confident82.9Confident0 Ų027.7 Ų27.70%015%0.149CC..Hα-helixtrans-60.6-49.9-169.9-173.961.1000111.5F69 L94 I97 F104 I107 L113 C114 T130F69-L110 HydrophobicContact CE1-CD2 4.13Å; F69-L110 HydrophobicContact CE2-CB 4.23Å; F69-L110 HydrophobicContact CE2-CD2 4.01Å; F69-L110 HydrophobicContact CE2-CG 4.49Å; F69-L110 HydrophobicContact CZ-CB 4.5Å; F69-L110 HydrophobicContact CZ-CD2 3.73Å; F69-L110 HydrophobicContact CZ-CG 4.29Å; L94-L110 HydrophobicContact CD2-CD2 4.17Å; L94-L110 HydrophobicContact CD2-CG 3.8Å; I97-L110 HydrophobicContact CG2-CD2 4.18Å; F104-L110 HydrophobicContact CE2-CD2 4.14Å; F104-L110 HydrophobicContact CZ-CD2 4Å; I107-L110 HydrophobicContact CB-CB 3.9Å; I107-L110 HydrophobicContact CD1-CD2 4.2Å; I107-L110 HydrophobicContact CG2-CB 3.74Å; I107-L110 WeakPolarHBondContact O-CB 3.47Å; I107-L110 PolarHBondContact O-N 3Å; I107-L110 VanDerWaalsContact O-N 3.08Å; L110-L113 PolarHBondContact O-N 3.4Å; L110-C114 WeakPolarHBondContact O-CB 3.35Å; L110-C114 PolarHBondContact O-N 2.88Å; L110-C114 PolarHBondContact O-SG 3.45Å; L110-C114 VanDerWaalsContact O-SG 3.36Å; L110-T130 HydrophobicContact CD1-CG2 3.56Å
111Y89.3Confident83.7Confident26 Ų2627 Ų2710%0.10214%0.141CC..Hα-helixtrans-55.4-56.6177.1-172.9-76.9000112.9L70 L77 D79 L90 I91 L94 I109 L113 C114 A115L70-Y111 HydrophobicContact CD1-CD2 4.23Å; L70-Y111 HydrophobicContact CD1-CE2 4.42Å; L70-Y111 HydrophobicContact CD2-CD2 3.57Å; L70-Y111 HydrophobicContact CD2-CE2 4.44Å; L70-Y111 HydrophobicContact CD2-CG 4.27Å; L77-Y111 HydrophobicContact CD2-CD1 4.42Å; L77-Y111 HydrophobicContact CD2-CD2 3.82Å; L77-Y111 HydrophobicContact CD2-CE2 4.02Å; L77-Y111 HydrophobicContact CD2-CG 4.03Å; D79-Y111 HydrophobicContact CB-CE1 4.13Å; L90-Y111 HydrophobicContact CD2-CD1 4.31Å; L90-Y111 HydrophobicContact CD2-CD2 4.38Å; L90-Y111 HydrophobicContact CD2-CE1 3.75Å; L90-Y111 HydrophobicContact CD2-CE2 3.85Å; L90-Y111 VanDerWaalsContact CD2-CZ 3.49Å; L90-Y111 HydrophobicContact CG-CE2 4.37Å; I91-Y111 HydrophobicContact CD1-CE2 4.43Å; L94-Y111 HydrophobicContact CD1-CD2 3.43Å; L94-Y111 VanDerWaalsContact CD1-CD2 3.43Å; L94-Y111 HydrophobicContact CD1-CE2 4.02Å; L94-Y111 HydrophobicContact CD1-CG 4.2Å; I109-Y111 PolarHBondContact O-N 3.26Å; Y111-L113 VanDerWaalsContact C-N 3.29Å; Y111-L113 PolarHBondContact O-N 3.45Å; Y111-C114 PolarHBondContact O-N 3.49Å; Y111-A115 WeakPolarHBondContact O-CB 3.43Å; Y111-A115 PolarHBondContact O-N 3.35Å
112P89.8Confident84.6Confident6 Ų627.1 Ų27.14%0.03915%0.149CC..Hα-helixtrans-69.2-26.9-178.724.6-33.3000112.9L76 C78 Y80 I109 L116L76-P112 HydrophobicContact CB-CG 4.29Å; L76-P112 VanDerWaalsContact O-CD 3.3Å; L76-P112 WeakPolarHBondContact O-CD 3.42Å; C78-P112 HydrophobicContact CB-CB 4.42Å; Y80-P112 HydrophobicContact CE2-CB 3.81Å; Y80-P112 VanDerWaalsContact CE2-O 3.3Å; Y80-P112 WeakPolarHBondContact CE2-O 3.15Å; Y80-P112 WeakPolarHBondContact OH-CB 3.3Å; I109-P112 VanDerWaalsContact C-CD 3.47Å; I109-P112 HydrophobicContact CG1-CG 4.09Å; I109-P112 WeakPolarHBondContact O-CD 3.35Å; I109-P112 VanDerWaalsContact O-CG 3.3Å; I109-P112 WeakPolarHBondContact O-CG 3.38Å; P112-L116 WeakPolarHBondContact O-CB 3.18Å; P112-L116 WeakPolarHBondContact O-CG 3.36Å; P112-L116 PolarHBondContact O-N 3.02Å
113L92Very high85.8Confident3 Ų324.8 Ų24.82%0.01613%0.131CC..Hα-helixtrans-67-50.6175177.564.7000111I109 L110 Y111 A115 L116 F117 L133 L141 L202I109-L113 HydrophobicContact CG1-CB 4.5Å; I109-L113 WeakPolarHBondContact O-CB 3.48Å; I109-L113 PolarHBondContact O-N 3.03Å; L110-L113 PolarHBondContact O-N 3.4Å; Y111-L113 VanDerWaalsContact C-N 3.29Å; Y111-L113 PolarHBondContact O-N 3.45Å; L113-A115 VanDerWaalsContact C-N 3.31Å; L113-A115 PolarHBondContact O-N 3.47Å; L113-L116 PolarHBondContact O-N 3Å; L113-F117 HydrophobicContact CD1-CE1 4Å; L113-F117 HydrophobicContact CD1-CE2 4.03Å; L113-F117 HydrophobicContact CD1-CZ 3.7Å; L113-F117 HydrophobicContact CD2-CE2 4.27Å; L113-F117 HydrophobicContact CD2-CZ 4.49Å; L113-F117 HydrophobicContact CG-CD2 4.33Å; L113-F117 HydrophobicContact CG-CE2 3.85Å; L113-F117 HydrophobicContact CG-CZ 4.05Å; L113-F117 PolarHBondContact O-N 3.37Å; L113-L133 HydrophobicContact CD2-CD1 3.88Å; L113-L141 HydrophobicContact CD2-CD1 4.15Å; L113-L141 HydrophobicContact CD2-CD2 3.86Å; L113-L202 HydrophobicContact CD1-CD1 3.59Å; L113-L202 HydrophobicContact CD1-CD2 4.26Å
114C94Very high87Confident0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-61.6-41177-70.10000111.2L90 L93 L94 L110 Y111 L116 F117 L118L90-C114 HydrophobicContact CD1-CB 3.45Å; L90-C114 VanDerWaalsContact CD1-CB 3.45Å; L93-C114 HydrophobicContact CD2-CB 3.82Å; L94-C114 HydrophobicContact CD2-CB 3.98Å; L110-C114 WeakPolarHBondContact O-CB 3.35Å; L110-C114 PolarHBondContact O-N 2.88Å; L110-C114 PolarHBondContact O-SG 3.45Å; L110-C114 VanDerWaalsContact O-SG 3.36Å; Y111-C114 PolarHBondContact O-N 3.49Å; C114-L116 VanDerWaalsContact C-N 3.34Å; C114-L116 PolarHBondContact O-N 3.08Å; C114-F117 PolarHBondContact O-N 3.17Å; C114-L118 WeakPolarHBondContact O-CG 3.41Å; C114-L118 PolarHBondContact O-N 3.04Å
115A93.9Very high88.2Confident0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-59.4-43.4174.700000112.1Y80 L82 L90 Y111 L113 L118 H119Y80-A115 HydrophobicContact CD2-CB 3.82Å; Y80-A115 HydrophobicContact CE2-CB 4.2Å; L82-A115 HydrophobicContact CD1-CB 3.98Å; L90-A115 HydrophobicContact CD1-CB 4.38Å; L90-A115 HydrophobicContact CD2-CB 3.81Å; Y111-A115 WeakPolarHBondContact O-CB 3.43Å; Y111-A115 PolarHBondContact O-N 3.35Å; L113-A115 VanDerWaalsContact C-N 3.31Å; L113-A115 PolarHBondContact O-N 3.47Å; A115-L118 PolarHBondContact O-N 3.09Å; A115-H119 PolarHBondContact O-CD2 3.01Å; A115-H119 VanDerWaalsContact O-CD2 3.29Å
116L93.4Very high89.8Confident11 Ų1125.8 Ų25.86%0.05812%0.124CC..Hα-helixtrans-63.3-41.9174.5-77.6169.3000112.1Y80 P112 L113 C114 L118 H119 Y120 Y195 V199 L202Y80-L116 HydrophobicContact CD1-CD2 4.49Å; Y80-L116 HydrophobicContact CD2-CD2 3.89Å; Y80-L116 HydrophobicContact CD2-CG 3.81Å; Y80-L116 HydrophobicContact CE2-CD1 4.1Å; Y80-L116 HydrophobicContact CE2-CD2 3.97Å; Y80-L116 HydrophobicContact CE2-CG 3.53Å; Y80-L116 HydrophobicContact CG-CD2 4.17Å; P112-L116 WeakPolarHBondContact O-CB 3.18Å; P112-L116 WeakPolarHBondContact O-CG 3.36Å; P112-L116 PolarHBondContact O-N 3.02Å; L113-L116 PolarHBondContact O-N 3Å; C114-L116 VanDerWaalsContact C-N 3.34Å; C114-L116 PolarHBondContact O-N 3.08Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 3.17Å; L116-H119 PolarHBondContact O-N 3.15Å; L116-Y120 VanDerWaalsContact O-CD2 3.25Å; L116-Y120 WeakPolarHBondContact O-CD2 3.27Å; L116-Y195 HydrophobicContact CD2-CD2 4.24Å; L116-Y195 HydrophobicContact CD2-CE2 3.55Å; L116-V199 HydrophobicContact CD2-CG2 4.06Å; L116-L202 HydrophobicContact CB-CD2 3.83Å; L116-L202 HydrophobicContact CD1-CD2 3.83Å; L116-L202 HydrophobicContact CG-CD2 4.41Å
117F95.2Very high90.9Very high0 Ų024.2 Ų24.20%012%0.118CC..Hα-helixtrans-59.3-43.8176.8-71.3-24.4000112.2W37 L113 C114 H119 Y120 M121 A126 C129 T130 L133 L202 L206W37-F117 AromaticContact CE3-CD1 3.67Å; W37-F117 HydrophobicContact CE3-CD1 3.67Å; W37-F117 AromaticContact CE3-CE1 3.96Å; W37-F117 HydrophobicContact CE3-CE1 3.96Å; W37-F117 AromaticContact CZ3-CD1 3.88Å; W37-F117 HydrophobicContact CZ3-CD1 3.88Å; W37-F117 HydrophobicContact CZ3-CE1 4.39Å; L113-F117 HydrophobicContact CD1-CE1 4Å; L113-F117 HydrophobicContact CD1-CE2 4.03Å; L113-F117 HydrophobicContact CD1-CZ 3.7Å; L113-F117 HydrophobicContact CD2-CE2 4.27Å; L113-F117 HydrophobicContact CD2-CZ 4.49Å; L113-F117 HydrophobicContact CG-CD2 4.33Å; L113-F117 HydrophobicContact CG-CE2 3.85Å; L113-F117 HydrophobicContact CG-CZ 4.05Å; L113-F117 PolarHBondContact O-N 3.37Å; C114-F117 PolarHBondContact O-N 3.17Å; F117-H119 PolarHBondContact O-N 2.91Å; F117-H119 VanDerWaalsContact O-N 3.08Å; F117-Y120 PolarHBondContact O-N 3.45Å; F117-M121 HydrophobicContact CB-CE 4.31Å; F117-M121 HydrophobicContact CB-CG 4.2Å; F117-M121 HydrophobicContact CB-SD 4.08Å; F117-M121 HydrophobicContact CD1-CE 3.84Å; F117-M121 HydrophobicContact CD1-SD 4.39Å; F117-M121 HydrophobicContact CE1-CE 4.42Å; F117-M121 HydrophobicContact CG-CE 4.24Å; F117-M121 HydrophobicContact CG-SD 4.21Å; F117-M121 WeakPolarHBondContact O-CG 3.45Å; F117-M121 PolarHBondContact O-N 3.14Å; F117-A126 HydrophobicContact CB-CB 3.68Å; F117-A126 HydrophobicContact CD2-CB 4.29Å; F117-A126 HydrophobicContact CG-CB 4.42Å; F117-C129 HydrophobicContact CD2-CB 4.43Å; F117-C129 HydrophobicContact CE2-CB 3.9Å; F117-C129 HydrophobicContact CZ-CB 4.11Å; F117-T130 WeakPolarHBondContact CE2-OG1 3.28Å; F117-L133 HydrophobicContact CE2-CD1 4.26Å; F117-L133 HydrophobicContact CZ-CD1 3.92Å; F117-L202 HydrophobicContact CD1-CD2 4.48Å; F117-L202 HydrophobicContact CE1-CD2 4.29Å; F117-L206 HydrophobicContact CE1-CD1 4.13Å; F117-L206 HydrophobicContact CE1-CD2 4.05Å; F117-L206 HydrophobicContact CZ-CD2 3.86Å
118L95.8Very high91.4Very high28 Ų2825.9 Ų25.915%0.14713%0.128CC..Hα-helixtrans-64-15.4-179.6-67.9176.1000114.3L82 T89 L90 L93 C114 A115 L116 Y120 D123 A126L82-L118 HydrophobicContact CD1-CB 4.41Å; L82-L118 HydrophobicContact CD1-CD1 4.34Å; L82-L118 HydrophobicContact CD2-CB 4.08Å; T89-L118 HydrophobicContact CG2-CD1 4.27Å; T89-L118 HydrophobicContact CG2-CD2 3.93Å; L90-L118 HydrophobicContact CB-CD1 3.65Å; L90-L118 HydrophobicContact CD1-CD1 3.98Å; L90-L118 HydrophobicContact CG-CD1 4.41Å; L93-L118 HydrophobicContact CD2-CD1 4.3Å; L93-L118 HydrophobicContact CD2-CD2 4.26Å; L93-L118 HydrophobicContact CD2-CG 4.27Å; C114-L118 WeakPolarHBondContact O-CG 3.41Å; C114-L118 PolarHBondContact O-N 3.04Å; A115-L118 PolarHBondContact O-N 3.09Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 3.17Å; L118-Y120 VanDerWaalsContact C-N 3.33Å; L118-D123 HydrophobicContact CD2-CB 4.13Å; L118-A126 HydrophobicContact CD2-CB 4.29Å
119H95.1Very high92.2Very high71 Ų7125.3 Ų25.333%0.32913%0.125SC..THydrogen-bonded Turntrans-75.6-17.6169.1-80.1-76.9000114.2Y80 A115 L116 F117 Y195Y80-H119 WeakPolarHBondContact CB-NE2 3.31Å; Y80-H119 PolarHBondContact O-NE2 3.23Å; A115-H119 PolarHBondContact O-CD2 3.01Å; A115-H119 VanDerWaalsContact O-CD2 3.29Å; L116-H119 PolarHBondContact O-N 3.15Å; F117-H119 PolarHBondContact O-N 2.91Å; F117-H119 VanDerWaalsContact O-N 3.08Å; H119-Y195 WeakPolarHBondContact CB-OH 3.49Å
120Y95.3Very high92.6Very high30 Ų3024.3 Ų24.312%0.11812%0.12CC..THydrogen-bonded Turntrans-127.1-16.5-171.6-61.7-83.1000114.7S28 R33 A34 W37 L116 F117 L118 Y195 V199S28-Y120 WeakPolarHBondContact O-CE1 3.43Å; S28-Y120 VanDerWaalsContact O-CZ 3.3Å; S28-Y120 PolarHBondContact O-OH 2.91Å; R33-Y120 HydrophobicContact CB-CD1 3.63Å; R33-Y120 HydrophobicContact CB-CE1 4.16Å; R33-Y120 HydrophobicContact CB-CG 4Å; R33-Y120 HydrophobicContact CG-CD1 4.42Å; R33-Y120 HydrophobicContact CG-CE1 4.49Å; A34-Y120 VanDerWaalsContact CA-O 3.25Å; A34-Y120 WeakPolarHBondContact CA-O 3.34Å; A34-Y120 WeakPolarHBondContact CB-O 3.42Å; W37-Y120 HydrophobicContact CE3-CD2 4.23Å; W37-Y120 HydrophobicContact CE3-CG 4.46Å; W37-Y120 AromaticContact CH2-CD2 3.49Å; W37-Y120 HydrophobicContact CH2-CD2 3.49Å; W37-Y120 VanDerWaalsContact CH2-CD2 3.49Å; W37-Y120 AromaticContact CH2-CE2 3.6Å; W37-Y120 HydrophobicContact CH2-CE2 3.6Å; W37-Y120 HydrophobicContact CH2-CG 4.24Å; W37-Y120 AromaticContact CZ3-CD2 3.31Å; W37-Y120 HydrophobicContact CZ3-CD2 3.31Å; W37-Y120 AromaticContact CZ3-CE2 3.93Å; W37-Y120 HydrophobicContact CZ3-CE2 3.93Å; W37-Y120 AromaticContact CZ3-CG 3.94Å; W37-Y120 HydrophobicContact CZ3-CG 3.94Å; L116-Y120 VanDerWaalsContact O-CD2 3.25Å; L116-Y120 WeakPolarHBondContact O-CD2 3.27Å; F117-Y120 PolarHBondContact O-N 3.45Å; L118-Y120 VanDerWaalsContact C-N 3.33Å; Y120-Y195 VanDerWaalsContact CE2-OH 3.31Å; Y120-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y120-Y195 PolarHBondContact OH-OH 2.92Å; Y120-V199 HydrophobicContact CE2-CG2 4.25Å; Y120-V199 WeakPolarHBondContact OH-CG2 3.26Å
121M94.2Very high92.6Very high19 Ų1925 Ų259%0.09412%0.123CC..SBendtrans-146.7168.8-176.670.7-169.668.100112W37 F117 D125 A126 C129W37-M121 HydrophobicContact CB-CE 3.73Å; W37-M121 HydrophobicContact CD2-CE 4.43Å; W37-M121 HydrophobicContact CE3-CE 3.7Å; F117-M121 HydrophobicContact CB-CE 4.31Å; F117-M121 HydrophobicContact CB-CG 4.2Å; F117-M121 HydrophobicContact CB-SD 4.08Å; F117-M121 HydrophobicContact CD1-CE 3.84Å; F117-M121 HydrophobicContact CD1-SD 4.39Å; F117-M121 HydrophobicContact CE1-CE 4.42Å; F117-M121 HydrophobicContact CG-CE 4.24Å; F117-M121 HydrophobicContact CG-SD 4.21Å; F117-M121 WeakPolarHBondContact O-CG 3.45Å; F117-M121 PolarHBondContact O-N 3.14Å; M121-D125 HydrophobicContact CB-CB 3.87Å; M121-D125 HydrophobicContact CG-CB 3.87Å; M121-D125 HydrophobicContact SD-CB 3.86Å; M121-A126 HydrophobicContact CG-CB 4.09Å; M121-A126 HydrophobicContact SD-CB 4.25Å; M121-C129 HydrophobicContact SD-CB 4.49Å
122S93.8Very high92.6Very high49 Ų4924 Ų2434%0.34312%0.12SC..  trans-65.1159.7174.267.50000111.5R124 D125 A126S122-R124 VanDerWaalsContact C-N 3.26Å; S122-R124 PolarHBondContact O-N 2.81Å; S122-D125 PolarHBondContact O-N 3.28Å; S122-D125 WeakPolarHBondContact OG-CB 3.33Å; S122-D125 PolarHBondContact OG-N 2.87Å; S122-D125 VanDerWaalsContact OG-N 3.1Å; S122-D125 PolarHBondContact OG-OD2 3.33Å; S122-A126 WeakPolarHBondContact O-CB 3.22Å; S122-A126 PolarHBondContact O-N 3.37Å
123D92.1Very high92.5Very high54 Ų5423.8 Ų23.829%0.28912%0.119SC..Hα-helixtrans-56-40170.259-21000112.8F51 T89 L118 A126 F127F51-D123 HydrophobicContact CE1-CB 4.29Å; F51-D123 HydrophobicContact CZ-CB 4.09Å; T89-D123 HydrophobicContact CG2-CB 3.54Å; L118-D123 HydrophobicContact CD2-CB 4.13Å; D123-A126 PolarHBondContact O-N 2.89Å; D123-F127 WeakPolarHBondContact O-CB 3.4Å; D123-F127 PolarHBondContact O-N 3.01Å
124R90.5Very high92.2Very high122 Ų12223.8 Ų23.846%0.4612%0.118SC..Hα-helixtrans-60.9-48174.5-174.4179.2-178.3-169.8-5.2112S48 F51 S122 A126 F127 V128S48-R124 PolarHBondContact OG-NH2 3.07Å; F51-R124 HydrophobicContact CD1-CB 3.9Å; F51-R124 HydrophobicContact CD1-CG 4.06Å; F51-R124 HydrophobicContact CE1-CB 4.13Å; S122-R124 VanDerWaalsContact C-N 3.26Å; S122-R124 PolarHBondContact O-N 2.81Å; R124-A126 VanDerWaalsContact C-N 3.34Å; R124-F127 PolarHBondContact O-N 3.34Å; R124-V128 WeakPolarHBondContact O-CG2 3.41Å; R124-V128 PolarHBondContact O-N 3.2Å; R124-V128 VanDerWaalsContact O-N 3.08Å
125D91.7Very high91.7Very high51 Ų5126.4 Ų26.427%0.27314%0.137SC..Hα-helixtrans-65.6-40.8177.9-66.7-41.8000111.1K38 M121 S122 F127 V128 C129K38-D125 HydrophobicContact CD-CB 3.91Å; K38-D125 VanDerWaalsContact CD-CG 3.47Å; K38-D125 HydrophobicContact CG-CB 4.22Å; M121-D125 HydrophobicContact CB-CB 3.87Å; M121-D125 HydrophobicContact CG-CB 3.87Å; M121-D125 HydrophobicContact SD-CB 3.86Å; S122-D125 PolarHBondContact O-N 3.28Å; S122-D125 WeakPolarHBondContact OG-CB 3.33Å; S122-D125 PolarHBondContact OG-N 2.87Å; S122-D125 VanDerWaalsContact OG-N 3.1Å; S122-D125 PolarHBondContact OG-OD2 3.33Å; D125-F127 VanDerWaalsContact C-N 3.32Å; D125-F127 PolarHBondContact O-N 3.37Å; D125-V128 PolarHBondContact O-N 3.08Å; D125-C129 WeakPolarHBondContact O-CB 3.47Å; D125-C129 PolarHBondContact O-N 2.89Å; D125-C129 PolarHBondContact O-SG 2.84Å
126A94Very high91.1Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-61.5-41176.800000111.4L93 F117 L118 M121 S122 D123 R124 T130L93-A126 HydrophobicContact CD2-CB 3.77Å; F117-A126 HydrophobicContact CB-CB 3.68Å; F117-A126 HydrophobicContact CD2-CB 4.29Å; F117-A126 HydrophobicContact CG-CB 4.42Å; L118-A126 HydrophobicContact CD2-CB 4.29Å; M121-A126 HydrophobicContact CG-CB 4.09Å; M121-A126 HydrophobicContact SD-CB 4.25Å; S122-A126 WeakPolarHBondContact O-CB 3.22Å; S122-A126 PolarHBondContact O-N 3.37Å; D123-A126 PolarHBondContact O-N 2.89Å; R124-A126 VanDerWaalsContact C-N 3.34Å; A126-T130 VanDerWaalsContact O-CB 3.26Å; A126-T130 WeakPolarHBondContact O-CB 3.43Å; A126-T130 PolarHBondContact O-N 2.78Å; A126-T130 PolarHBondContact O-OG1 3.23Å
127F92.2Very high90.2Very high0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-61.4-50.9174.4-179.5-94.1000111.6F51 L54 L93 A96 I97 A100 D123 R124 D125 C129 T130 M131F51-F127 HydrophobicContact CB-CD1 3.66Å; F51-F127 HydrophobicContact CB-CE1 3.96Å; F51-F127 HydrophobicContact CB-CG 4.09Å; F51-F127 HydrophobicContact CD2-CB 3.55Å; F51-F127 AromaticContact CD2-CD1 3.74Å; F51-F127 HydrophobicContact CD2-CD1 3.74Å; F51-F127 AromaticContact CD2-CD2 3.36Å; F51-F127 HydrophobicContact CD2-CD2 3.36Å; F51-F127 HydrophobicContact CD2-CE1 4.25Å; F51-F127 AromaticContact CD2-CE2 3.91Å; F51-F127 HydrophobicContact CD2-CE2 3.91Å; F51-F127 AromaticContact CD2-CG 3.25Å; F51-F127 HydrophobicContact CD2-CG 3.25Å; F51-F127 HydrophobicContact CD2-CZ 4.32Å; F51-F127 HydrophobicContact CE2-CB 3.79Å; F51-F127 AromaticContact CE2-CD2 3.77Å; F51-F127 HydrophobicContact CE2-CD2 3.77Å; F51-F127 AromaticContact CE2-CG 3.87Å; F51-F127 HydrophobicContact CE2-CG 3.87Å; F51-F127 HydrophobicContact CG-CB 4.01Å; F51-F127 AromaticContact CG-CD1 3.98Å; F51-F127 HydrophobicContact CG-CD1 3.98Å; F51-F127 HydrophobicContact CG-CD2 4.38Å; F51-F127 AromaticContact CG-CG 3.87Å; F51-F127 HydrophobicContact CG-CG 3.87Å; F51-F127 HydrophobicContact CZ-CB 4.45Å; L54-F127 HydrophobicContact CD1-CE2 4.39Å; L54-F127 HydrophobicContact CD1-CZ 3.95Å; L93-F127 HydrophobicContact CD1-CB 3.61Å; L93-F127 HydrophobicContact CD1-CD2 4.05Å; L93-F127 HydrophobicContact CD1-CG 4.35Å; A96-F127 HydrophobicContact CB-CD2 4.37Å; A96-F127 HydrophobicContact CB-CE2 4.14Å; I97-F127 HydrophobicContact CG1-CD2 3.76Å; I97-F127 HydrophobicContact CG1-CE2 3.96Å; A100-F127 HydrophobicContact CB-CE2 4.36Å; A100-F127 HydrophobicContact CB-CZ 4.08Å; D123-F127 WeakPolarHBondContact O-CB 3.4Å; D123-F127 PolarHBondContact O-N 3.01Å; R124-F127 PolarHBondContact O-N 3.34Å; D125-F127 VanDerWaalsContact C-N 3.32Å; D125-F127 PolarHBondContact O-N 3.37Å; F127-C129 PolarHBondContact O-N 3.28Å; F127-T130 PolarHBondContact O-N 3.08Å; F127-M131 HydrophobicContact CD1-CG 4.07Å; F127-M131 HydrophobicContact CD2-CG 4.36Å; F127-M131 HydrophobicContact CE1-CG 3.72Å; F127-M131 HydrophobicContact CE2-CG 4.03Å; F127-M131 HydrophobicContact CG-CG 4.39Å; F127-M131 HydrophobicContact CZ-CG 3.7Å; F127-M131 HydrophobicContact CZ-SD 4.31Å; F127-M131 WeakPolarHBondContact O-CB 3.48Å; F127-M131 WeakPolarHBondContact O-CG 3.43Å; F127-M131 PolarHBondContact O-N 3.47Å
128V90.5Very high89.1Confident36 Ų3637.5 Ų37.522%0.21819%0.194CC..Hα-helixtrans-60.5-45.7179.8173.30000111R124 D125 T130 M131 S132R124-V128 WeakPolarHBondContact O-CG2 3.41Å; R124-V128 PolarHBondContact O-N 3.2Å; R124-V128 VanDerWaalsContact O-N 3.08Å; D125-V128 PolarHBondContact O-N 3.08Å; V128-T130 PolarHBondContact O-N 2.76Å; V128-M131 PolarHBondContact O-N 3.03Å; V128-S132 WeakPolarHBondContact O-CB 3.39Å; V128-S132 PolarHBondContact O-N 3.08Å
129C91.9Very high88.4Confident4 Ų439.8 Ų39.83%0.02720%0.203CC..Hα-helixtrans-60.1-47.4176.7-680000111C41 F117 M121 D125 F127 S132 L133C41-C129 HydrophobicContact CB-CB 3.81Å; F117-C129 HydrophobicContact CD2-CB 4.43Å; F117-C129 HydrophobicContact CE2-CB 3.9Å; F117-C129 HydrophobicContact CZ-CB 4.11Å; M121-C129 HydrophobicContact SD-CB 4.49Å; D125-C129 WeakPolarHBondContact O-CB 3.47Å; D125-C129 PolarHBondContact O-N 2.89Å; D125-C129 PolarHBondContact O-SG 2.84Å; F127-C129 PolarHBondContact O-N 3.28Å; C129-S132 WeakPolarHBondContact O-CB 2.94Å; C129-S132 PolarHBondContact O-N 3.44Å; C129-L133 WeakPolarHBondContact O-CG 3.37Å; C129-L133 PolarHBondContact O-N 3.14Å
130T91.7Very high87.9Confident0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-63.7-45.2-179.5-55.10000111.6I97 L110 F117 A126 F127 V128 S132 L133 L134I97-T130 HydrophobicContact CD1-CG2 3.65Å; I97-T130 HydrophobicContact CG1-CG2 4.44Å; L110-T130 HydrophobicContact CD1-CG2 3.56Å; F117-T130 WeakPolarHBondContact CE2-OG1 3.28Å; A126-T130 VanDerWaalsContact O-CB 3.26Å; A126-T130 WeakPolarHBondContact O-CB 3.43Å; A126-T130 PolarHBondContact O-N 2.78Å; A126-T130 PolarHBondContact O-OG1 3.23Å; F127-T130 PolarHBondContact O-N 3.08Å; V128-T130 PolarHBondContact O-N 2.76Å; T130-S132 VanDerWaalsContact C-N 3.26Å; T130-S132 PolarHBondContact O-N 2.72Å; T130-L133 PolarHBondContact O-N 3.3Å; T130-L133 VanDerWaalsContact O-N 3.13Å; T130-L134 HydrophobicContact CG2-CD1 4.04Å; T130-L134 HydrophobicContact CG2-CG 4.28Å; T130-L134 WeakPolarHBondContact O-CB 3.24Å; T130-L134 VanDerWaalsContact O-CG 3.29Å; T130-L134 WeakPolarHBondContact O-CG 3.38Å; T130-L134 PolarHBondContact O-N 3.5Å
131M88.4Confident87.4Confident15 Ų1535.1 Ų35.17%0.07418%0.182CC..Hα-helixtrans-64.8-28.5176.5-73-62.8-76.500113.4K47 A100 R101 F127 V128 L134 S135K47-M131 HydrophobicContact CD-CB 3.83Å; K47-M131 PolarHBondContact NZ-O 3.06Å; A100-M131 HydrophobicContact CB-CE 3.92Å; A100-M131 HydrophobicContact CB-SD 4.32Å; R101-M131 HydrophobicContact CG-CE 3.73Å; R101-M131 HydrophobicContact CG-SD 3.79Å; F127-M131 HydrophobicContact CD1-CG 4.07Å; F127-M131 HydrophobicContact CD2-CG 4.36Å; F127-M131 HydrophobicContact CE1-CG 3.72Å; F127-M131 HydrophobicContact CE2-CG 4.03Å; F127-M131 HydrophobicContact CG-CG 4.39Å; F127-M131 HydrophobicContact CZ-CG 3.7Å; F127-M131 HydrophobicContact CZ-SD 4.31Å; F127-M131 WeakPolarHBondContact O-CB 3.48Å; F127-M131 WeakPolarHBondContact O-CG 3.43Å; F127-M131 PolarHBondContact O-N 3.47Å; V128-M131 PolarHBondContact O-N 3.03Å; M131-L134 HydrophobicContact SD-CD1 3.97Å; M131-S135 PolarHBondContact O-N 3.39Å
132S88.8Confident86.8Confident5 Ų535.7 Ų35.74%0.03519%0.185CC..Hα-helixtrans-68.1-47.4170.4-175.30000111.1C41 V128 C129 T130 L134 S135C41-S132 WeakPolarHBondContact O-CB 3.5Å; C41-S132 PolarHBondContact O-OG 3.25Å; V128-S132 WeakPolarHBondContact O-CB 3.39Å; V128-S132 PolarHBondContact O-N 3.08Å; C129-S132 WeakPolarHBondContact O-CB 2.94Å; C129-S132 PolarHBondContact O-N 3.44Å; T130-S132 VanDerWaalsContact C-N 3.26Å; T130-S132 PolarHBondContact O-N 2.72Å; S132-L134 PolarHBondContact O-N 3.43Å; S132-S135 PolarHBondContact O-N 3.32Å; S132-S135 PolarHBondContact O-OG 3.41Å
133L89.3Confident86Confident2 Ų234.4 Ų34.41%0.0117%0.174CC..Hα-helixtrans-63.7-40.3177.3-62.8174.3000112.4L113 F117 C129 T130 S135 Q136 F140 L141 L206L113-L133 HydrophobicContact CD2-CD1 3.88Å; F117-L133 HydrophobicContact CE2-CD1 4.26Å; F117-L133 HydrophobicContact CZ-CD1 3.92Å; C129-L133 WeakPolarHBondContact O-CG 3.37Å; C129-L133 PolarHBondContact O-N 3.14Å; T130-L133 PolarHBondContact O-N 3.3Å; T130-L133 VanDerWaalsContact O-N 3.13Å; L133-S135 VanDerWaalsContact C-N 3.28Å; L133-S135 PolarHBondContact O-N 2.76Å; L133-Q136 CarbonylContact O-C 3.39Å; L133-Q136 PolarHBondContact O-N 3.38Å; L133-Q136 VanDerWaalsContact O-N 3.1Å; L133-F140 HydrophobicContact CB-CB 4.23Å; L133-F140 HydrophobicContact CD2-CB 4.03Å; L133-F140 HydrophobicContact CD2-CD1 3.67Å; L133-F140 HydrophobicContact CD2-CD2 3.72Å; L133-F140 HydrophobicContact CD2-CE1 3.93Å; L133-F140 HydrophobicContact CD2-CE2 3.95Å; L133-F140 HydrophobicContact CD2-CG 3.54Å; L133-F140 HydrophobicContact CD2-CZ 4.04Å; L133-L141 HydrophobicContact CB-CD1 3.81Å; L133-L141 HydrophobicContact CB-CG 4.11Å; L133-L206 HydrophobicContact CD1-CD2 3.75Å; L133-L206 HydrophobicContact CD2-CD2 4.22Å
134L85.7Confident85.2Confident2 Ų233.4 Ų33.41%0.0117%0.17CC..Hα-helixtrans-64.7-30176.8-71.8172.8000112.9I97 R101 I107 T130 M131 S132 Q136 L141 Q143I97-L134 HydrophobicContact CG2-CD1 3.67Å; R101-L134 HydrophobicContact CG-CD1 4.46Å; R101-L134 PolarHBondContact NH1-O 2.78Å; I107-L134 HydrophobicContact CD1-CD2 3.48Å; I107-L134 VanDerWaalsContact CD1-CD2 3.48Å; T130-L134 HydrophobicContact CG2-CD1 4.04Å; T130-L134 HydrophobicContact CG2-CG 4.28Å; T130-L134 WeakPolarHBondContact O-CB 3.24Å; T130-L134 VanDerWaalsContact O-CG 3.29Å; T130-L134 WeakPolarHBondContact O-CG 3.38Å; T130-L134 PolarHBondContact O-N 3.5Å; M131-L134 HydrophobicContact SD-CD1 3.97Å; S132-L134 PolarHBondContact O-N 3.43Å; L134-Q136 PolarHBondContact O-N 2.83Å; L134-L141 HydrophobicContact CD2-CB 4.33Å; L134-L141 HydrophobicContact CD2-CD1 3.59Å; L134-L141 HydrophobicContact CG-CD1 3.92Å; L134-Q143 PolarHBondContact O-NE2 3.18Å
135S83.7Confident84.4Confident56 Ų5631.5 Ų31.539%0.39217%0.168SC..Hα-helixtrans-73.3-14.6174.869.30000113.6M131 S132 L133M131-S135 PolarHBondContact O-N 3.39Å; S132-S135 PolarHBondContact O-N 3.32Å; S132-S135 PolarHBondContact O-OG 3.41Å; L133-S135 VanDerWaalsContact C-N 3.28Å; L133-S135 PolarHBondContact O-N 2.76Å
136Q81.1Confident83.9Confident70 Ų7029.5 Ų29.533%0.32716%0.158SC..THydrogen-bonded Turntrans-116.150.6178.8-70.9178.972.200110.1L133 L134 Q138 K139 F140L133-Q136 CarbonylContact O-C 3.39Å; L133-Q136 PolarHBondContact O-N 3.38Å; L133-Q136 VanDerWaalsContact O-N 3.1Å; L134-Q136 PolarHBondContact O-N 2.83Å; Q136-Q138 VanDerWaalsContact C-N 3.29Å; Q136-Q138 PolarHBondContact O-N 2.73Å; Q136-K139 HydrophobicContact CB-CB 4.45Å; Q136-K139 PolarHBondContact O-N 2.75Å; Q136-F140 HydrophobicContact CB-CD2 3.66Å; Q136-F140 HydrophobicContact CB-CE2 4.04Å; Q136-F140 PolarHBondContact O-N 3.24Å
137S74.2Confident83.3Confident50 Ų5030.1 Ų30.135%0.3516%0.162SC..THydrogen-bonded Turntrans-51.9-42.5-173.660.60000113.4K139 L141 Q143S137-K139 PolarHBondContact O-N 3.08Å; S137-L141 WeakPolarHBondContact CA-O 3.5Å; S137-L141 CarbonylContact O-C 2.95Å; S137-L141 VanDerWaalsContact O-O 3.06Å; S137-Q143 VanDerWaalsContact CB-NE2 3.31Å
138Q72.1Confident82.8Confident124 Ų12431.4 Ų31.458%0.57917%0.17SC*.THydrogen-bonded Turntrans-64.2-25.3178.7-66.1-175.9-9.300113.9Q136Q136-Q138 VanDerWaalsContact C-N 3.29Å; Q136-Q138 PolarHBondContact O-N 2.73Å
139K80.9Confident82.5Confident75 Ų7531.1 Ų31.133%0.32617%0.17SC..THydrogen-bonded Turntrans-95.4-40.1-179.1-175.9176.5171-164.60112Q136 S137 F207 G209 Q210Q136-K139 HydrophobicContact CB-CB 4.45Å; Q136-K139 PolarHBondContact O-N 2.75Å; S137-K139 PolarHBondContact O-N 3.08Å; K139-F207 VanDerWaalsContact CE-O 3.3Å; K139-F207 WeakPolarHBondContact CE-O 3.42Å; K139-F207 PolarHBondContact NZ-O 3.38Å; K139-G209 CarbonylContact O-C 3.58Å; K139-G209 VanDerWaalsContact O-CA 3.23Å; K139-G209 WeakPolarHBondContact O-CA 3.21Å; K139-Q210 WeakPolarHBondContact O-CG 3.47Å; K139-Q210 PolarHBondContact O-N 3.45Å
140F85.1Confident82.3Confident4 Ų431 Ų312%0.01817%0.168CC..SBendtrans-118.3-68.6-166.8-63.3-75.7000114.6L133 Q136 F205 L206 Q210L133-F140 HydrophobicContact CB-CB 4.23Å; L133-F140 HydrophobicContact CD2-CB 4.03Å; L133-F140 HydrophobicContact CD2-CD1 3.67Å; L133-F140 HydrophobicContact CD2-CD2 3.72Å; L133-F140 HydrophobicContact CD2-CE1 3.93Å; L133-F140 HydrophobicContact CD2-CE2 3.95Å; L133-F140 HydrophobicContact CD2-CG 3.54Å; L133-F140 HydrophobicContact CD2-CZ 4.04Å; Q136-F140 HydrophobicContact CB-CD2 3.66Å; Q136-F140 HydrophobicContact CB-CE2 4.04Å; Q136-F140 PolarHBondContact O-N 3.24Å; F140-F205 HydrophobicContact CB-CZ 4.01Å; F140-F205 HydrophobicContact CD1-CE1 4.19Å; F140-F205 HydrophobicContact CD1-CE2 4.37Å; F140-F205 HydrophobicContact CD1-CZ 4.05Å; F140-F205 WeakPolarHBondContact CE1-O 3.41Å; F140-F205 WeakPolarHBondContact O-CZ 3.29Å; F140-L206 WeakPolarHBondContact CE1-O 3.5Å; F140-L206 VanDerWaalsContact CZ-O 3.23Å; F140-L206 WeakPolarHBondContact CZ-O 3.22Å; F140-Q210 WeakPolarHBondContact O-CG 3.15Å; F140-Q210 PolarHBondContact O-NE2 3.28Å
141L84.2Confident82.2Confident0 Ų031.7 Ų31.70%018%0.175CC..  trans-108117.3-168.9-59.6179.3000109.7I107 I109 L113 L133 L134 S137 Q143 F205I107-L141 HydrophobicContact CG2-CB 4.37Å; I109-L141 HydrophobicContact CG2-CD2 3.53Å; L113-L141 HydrophobicContact CD2-CD1 4.15Å; L113-L141 HydrophobicContact CD2-CD2 3.86Å; L133-L141 HydrophobicContact CB-CD1 3.81Å; L133-L141 HydrophobicContact CB-CG 4.11Å; L134-L141 HydrophobicContact CD2-CB 4.33Å; L134-L141 HydrophobicContact CD2-CD1 3.59Å; L134-L141 HydrophobicContact CG-CD1 3.92Å; S137-L141 WeakPolarHBondContact CA-O 3.5Å; S137-L141 CarbonylContact O-C 2.95Å; S137-L141 VanDerWaalsContact O-O 3.06Å; L141-Q143 WeakPolarHBondContact O-CG 3.26Å; L141-F205 HydrophobicContact CD2-CE1 4.48Å; L141-F205 HydrophobicContact CD2-CZ 4.16Å
142I81.1Confident82.2Confident30 Ų3034.1 Ų34.115%0.15418%0.183CC..  trans-75.8128.1171.7-64176.4000108.1V148 A151I142-V148 HydrophobicContact CG2-CG2 3.78Å; I142-A151 HydrophobicContact CD1-CB 3.71Å
143Q77.8Confident82.3Confident23 Ų2336.6 Ų36.611%0.10719%0.191CC..  trans-117.15.5-164.7-48.7-179.2-8.700114.9F104 T105 Y106 I107 L134 S137 L141F104-Q143 HydrophobicContact CB-CB 4.36Å; T105-Q143 PolarHBondContact OG1-O 3.29Å; Y106-Q143 PolarHBondContact N-O 2.9Å; Y106-Q143 CarbonylContact O-C 3.57Å; Y106-Q143 VanDerWaalsContact O-CA 3.3Å; Y106-Q143 WeakPolarHBondContact O-CA 3.4Å; Y106-Q143 VanDerWaalsContact O-O 3.12Å; I107-Q143 HydrophobicContact CD1-CB 4.46Å; I107-Q143 HydrophobicContact CD1-CG 4.17Å; I107-Q143 HydrophobicContact CG1-CB 4.05Å; I107-Q143 HydrophobicContact CG1-CG 4.08Å; L134-Q143 PolarHBondContact O-NE2 3.18Å; S137-Q143 VanDerWaalsContact CB-NE2 3.31Å; L141-Q143 WeakPolarHBondContact O-CG 3.26Å
144T75.4Confident82.5Confident33 Ų3336.5 Ų36.520%0.20219%0.191CC..SBendtrans-136.5151.8177.474.60000111.7Y106 I146 S147 V148Y106-T144 PolarHBondContact O-N 2.7Å; T144-I146 VanDerWaalsContact C-N 3.31Å; T144-I146 PolarHBondContact O-N 2.79Å; T144-S147 PolarHBondContact O-N 3.11Å; T144-S147 VanDerWaalsContact OG1-CB 3.24Å; T144-S147 WeakPolarHBondContact OG1-CB 3.39Å; T144-S147 PolarHBondContact OG1-N 3.44Å; T144-S147 PolarHBondContact OG1-OG 3.4Å; T144-V148 WeakPolarHBondContact O-CG2 3.36Å; T144-V148 PolarHBondContact O-N 2.9Å
145D73.7Confident82.7Confident81 Ų8136.9 Ų36.943%0.43319%0.193SC..Hα-helixtrans-58.1-39.4173.365.9-33.4000113Y106 V148 S149Y106-D145 HydrophobicContact CD1-CB 4.3Å; D145-V148 PolarHBondContact O-N 3.33Å; D145-S149 WeakPolarHBondContact O-CB 3.5Å; D145-S149 PolarHBondContact O-N 3Å; D145-S149 PolarHBondContact O-OG 2.93Å
146I79.9Confident83.2Confident10 Ų1034.2 Ų34.25%0.05117%0.174CC..Hα-helixtrans-61.8-49174.8-68.2175.2000109.7T144 V148 S149 A150 E287 L290 R291T144-I146 VanDerWaalsContact C-N 3.31Å; T144-I146 PolarHBondContact O-N 2.79Å; I146-V148 VanDerWaalsContact C-N 3.33Å; I146-V148 PolarHBondContact O-N 2.83Å; I146-S149 CarbonylContact O-C 3.6Å; I146-S149 WeakPolarHBondContact O-CB 3.39Å; I146-S149 PolarHBondContact O-N 3.16Å; I146-S149 VanDerWaalsContact O-N 3.16Å; I146-A150 WeakPolarHBondContact O-CB 3.5Å; I146-A150 PolarHBondContact O-N 3.45Å; I146-E287 HydrophobicContact CG2-CB 4.25Å; I146-E287 HydrophobicContact CG2-CG 4.37Å; I146-L290 HydrophobicContact CG2-CB 4.07Å; I146-R291 HydrophobicContact CD1-CG 3.83Å; I146-R291 HydrophobicContact CG2-CG 4.07Å
147S82.4Confident83.7Confident13 Ų1332.7 Ų32.79%0.09117%0.168CC..Hα-helixtrans-65.2-36.3179.2-64.20000112.1T144 S149 A150 A151 Q283 E287T144-S147 PolarHBondContact O-N 3.11Å; T144-S147 VanDerWaalsContact OG1-CB 3.24Å; T144-S147 WeakPolarHBondContact OG1-CB 3.39Å; T144-S147 PolarHBondContact OG1-N 3.44Å; T144-S147 PolarHBondContact OG1-OG 3.4Å; S147-S149 VanDerWaalsContact C-N 3.34Å; S147-A150 PolarHBondContact O-N 2.94Å; S147-A151 WeakPolarHBondContact O-CB 3.32Å; S147-A151 PolarHBondContact O-N 3.07Å; S147-Q283 PolarHBondContact O-NE2 3.46Å; S147-E287 WeakPolarHBondContact CA-OE1 3.21Å; S147-E287 WeakPolarHBondContact CB-OE1 3.45Å; S147-E287 PolarHBondContact OG-OE1 3.26Å; S147-E287 PolarHBondContact OG-OE2 3.1Å
148V80.6Confident84.6Confident27 Ų2730.4 Ų30.416%0.16415%0.152CC..Hα-helixtrans-64.2-40.9172.9171.80000110.9Y106 P108 I142 T144 D145 I146 A151 R152Y106-V148 HydrophobicContact CD1-CG2 4.02Å; Y106-V148 HydrophobicContact CE1-CB 4.41Å; Y106-V148 HydrophobicContact CE1-CG1 4.45Å; Y106-V148 HydrophobicContact CE1-CG2 3.98Å; P108-V148 HydrophobicContact CG-CG1 4.42Å; P108-V148 HydrophobicContact CG-CG2 3.66Å; I142-V148 HydrophobicContact CG2-CG2 3.78Å; T144-V148 WeakPolarHBondContact O-CG2 3.36Å; T144-V148 PolarHBondContact O-N 2.9Å; D145-V148 PolarHBondContact O-N 3.33Å; I146-V148 VanDerWaalsContact C-N 3.33Å; I146-V148 PolarHBondContact O-N 2.83Å; V148-A151 PolarHBondContact O-N 3.44Å; V148-R152 PolarHBondContact O-N 3Å
149S83.7Confident85.4Confident30 Ų3024.5 Ų24.521%0.2112%0.124CC..Hα-helixtrans-67.2-39.9176.3-62.70000112.3D145 I146 S147 R152 R153D145-S149 WeakPolarHBondContact O-CB 3.5Å; D145-S149 PolarHBondContact O-N 3Å; D145-S149 PolarHBondContact O-OG 2.93Å; I146-S149 CarbonylContact O-C 3.6Å; I146-S149 WeakPolarHBondContact O-CB 3.39Å; I146-S149 PolarHBondContact O-N 3.16Å; I146-S149 VanDerWaalsContact O-N 3.16Å; S147-S149 VanDerWaalsContact C-N 3.34Å; S149-R152 PolarHBondContact O-N 3.36Å; S149-R152 PolarHBondContact OG-NH2 3.2Å; S149-R153 PolarHBondContact O-N 3.06Å
150A88.4Confident85.9Confident0 Ų025.8 Ų25.80%013%0.127CC..Hα-helixtrans-64.9-39.117300000111.8I146 S147 R152 R153 T154 N286 E287 L290I146-A150 WeakPolarHBondContact O-CB 3.5Å; I146-A150 PolarHBondContact O-N 3.45Å; S147-A150 PolarHBondContact O-N 2.94Å; A150-R152 VanDerWaalsContact C-N 3.29Å; A150-R152 PolarHBondContact O-N 2.93Å; A150-R153 CarbonylContact O-C 3.54Å; A150-R153 WeakPolarHBondContact O-CA 3.47Å; A150-R153 WeakPolarHBondContact O-CB 3.39Å; A150-R153 PolarHBondContact O-N 2.84Å; A150-T154 WeakPolarHBondContact O-CB 3.39Å; A150-T154 PolarHBondContact O-N 3.3Å; A150-T154 PolarHBondContact O-OG1 2.92Å; A150-T154 VanDerWaalsContact O-OG1 3.07Å; A150-N286 HydrophobicContact CB-CB 3.76Å; A150-E287 HydrophobicContact CB-CB 4.21Å; A150-E287 HydrophobicContact CB-CG 3.32Å; A150-L290 HydrophobicContact CB-CD1 4.11Å
151A89.1Confident86.1Confident16 Ų1632.2 Ų32.213%0.13216%0.155CC..Hα-helixtrans-60.6-37.1177.300000112.8I142 S147 V148 T154 L155 Y214I142-A151 HydrophobicContact CD1-CB 3.71Å; S147-A151 WeakPolarHBondContact O-CB 3.32Å; S147-A151 PolarHBondContact O-N 3.07Å; V148-A151 PolarHBondContact O-N 3.44Å; A151-T154 WeakPolarHBondContact O-CB 3.38Å; A151-T154 PolarHBondContact O-N 3.27Å; A151-L155 PolarHBondContact O-N 2.9Å; A151-Y214 WeakPolarHBondContact CA-OH 3Å; A151-Y214 WeakPolarHBondContact CB-OH 3.21Å
152R88.9Confident86.3Confident66 Ų6634.5 Ų34.525%0.24917%0.166CC..Hα-helixtrans-65.1-39.7173.4-68.6179-75.6151.7-6.7112.2V148 S149 A150 L155 L156 I182 F185V148-R152 PolarHBondContact O-N 3Å; S149-R152 PolarHBondContact O-N 3.36Å; S149-R152 PolarHBondContact OG-NH2 3.2Å; A150-R152 VanDerWaalsContact C-N 3.29Å; A150-R152 PolarHBondContact O-N 2.93Å; R152-L155 PolarHBondContact O-N 2.87Å; R152-L156 PolarHBondContact O-N 3.48Å; R152-L156 VanDerWaalsContact O-N 3.09Å; R152-I182 HydrophobicContact CB-CB 4.32Å; R152-I182 HydrophobicContact CB-CG2 4.49Å; R152-F185 HydrophobicContact CB-CB 4.41Å; R152-F185 HydrophobicContact CG-CB 4.15Å; R152-F185 WeakPolarHBondContact O-CD2 3.45Å
153R91.5Very high86.7Confident56 Ų5642.3 Ų42.321%0.21119%0.193CC..Hα-helixtrans-68-40.6174.5-66.5177176.9-84.80.1111.7S149 A150 L155 L156 I157 I182 N286S149-R153 PolarHBondContact O-N 3.06Å; A150-R153 CarbonylContact O-C 3.54Å; A150-R153 WeakPolarHBondContact O-CA 3.47Å; A150-R153 WeakPolarHBondContact O-CB 3.39Å; A150-R153 PolarHBondContact O-N 2.84Å; R153-L155 PolarHBondContact O-N 3.13Å; R153-L156 WeakPolarHBondContact O-CB 3.38Å; R153-L156 PolarHBondContact O-N 3.46Å; R153-I157 WeakPolarHBondContact O-CG1 3.46Å; R153-I157 PolarHBondContact O-N 3.07Å; R153-I182 HydrophobicContact CG-CD1 4.43Å; R153-I182 HydrophobicContact CG-CG2 4.14Å; R153-N286 HydrophobicContact CB-CB 4.2Å
154T92.2Very high87.3Confident0 Ų049 Ų490%022%0.222CC..Hα-helixtrans-56.8-48.4172.7-66.20000110.9A150 A151 L156 I157 L158 Y214 I279 I282 Q283 N286A150-T154 WeakPolarHBondContact O-CB 3.39Å; A150-T154 PolarHBondContact O-N 3.3Å; A150-T154 PolarHBondContact O-OG1 2.92Å; A150-T154 VanDerWaalsContact O-OG1 3.07Å; A151-T154 WeakPolarHBondContact O-CB 3.38Å; A151-T154 PolarHBondContact O-N 3.27Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 2.98Å; T154-I157 PolarHBondContact O-N 3.41Å; T154-L158 HydrophobicContact CG2-CD1 4.2Å; T154-L158 VanDerWaalsContact O-CG 3.3Å; T154-L158 WeakPolarHBondContact O-CG 3.49Å; T154-L158 PolarHBondContact O-N 3.17Å; T154-Y214 HydrophobicContact CG2-CE1 3.7Å; T154-Y214 HydrophobicContact CG2-CE2 4.37Å; T154-Y214 WeakPolarHBondContact CG2-OH 3.08Å; T154-I279 HydrophobicContact CG2-CG2 4.1Å; T154-I282 HydrophobicContact CG2-CD1 3.67Å; T154-I282 HydrophobicContact CG2-CG1 3.72Å; T154-Q283 WeakPolarHBondContact OG1-CA 3.45Å; T154-Q283 PolarHBondContact OG1-OE1 2.94Å; T154-N286 PolarHBondContact N-ND2 3.41Å; T154-N286 PolarHBondContact OG1-ND2 3.02Å
155L91.7Very high87.9Confident10 Ų1047.6 Ų47.65%0.05221%0.213CC..Hα-helixtrans-59.1-42.2175.2178.859.3000111.9A151 R152 R153 I157 L158 L159 F185 L188 Y214 A217 I218A151-L155 PolarHBondContact O-N 2.9Å; R152-L155 PolarHBondContact O-N 2.87Å; R153-L155 PolarHBondContact O-N 3.13Å; L155-I157 PolarHBondContact O-N 2.83Å; L155-L158 PolarHBondContact O-N 2.86Å; L155-L159 WeakPolarHBondContact O-CB 3.41Å; L155-L159 PolarHBondContact O-N 2.84Å; L155-F185 HydrophobicContact CB-CD2 4.48Å; L155-F185 HydrophobicContact CD2-CB 4.25Å; L155-F185 HydrophobicContact CD2-CD1 3.66Å; L155-F185 HydrophobicContact CD2-CD2 4.2Å; L155-F185 HydrophobicContact CD2-CE1 4.05Å; L155-F185 HydrophobicContact CD2-CG 3.77Å; L155-F185 HydrophobicContact CD2-CZ 4.48Å; L155-F185 HydrophobicContact CG-CD1 4.32Å; L155-F185 HydrophobicContact CG-CD2 4.38Å; L155-F185 HydrophobicContact CG-CE1 4.27Å; L155-F185 HydrophobicContact CG-CE2 4.32Å; L155-F185 HydrophobicContact CG-CG 4.4Å; L155-F185 HydrophobicContact CG-CZ 4.27Å; L155-L188 HydrophobicContact CD2-CB 4.4Å; L155-Y214 HydrophobicContact CB-CD1 4.17Å; L155-Y214 HydrophobicContact CB-CE1 4.1Å; L155-Y214 HydrophobicContact CD1-CD1 4.19Å; L155-A217 HydrophobicContact CD1-CB 3.91Å; L155-A217 HydrophobicContact CD2-CB 3.93Å; L155-I218 HydrophobicContact CD1-CG1 3.85Å
156L92.7Very high88.7Confident1 Ų145.1 Ų45.11%0.00520%0.198CC..Hα-helixtrans-58.7-46.9176.1-167.757.9000112.1R152 R153 T154 L158 L159 R160 Y166 D178 L181 I182 F185R152-L156 PolarHBondContact O-N 3.48Å; R152-L156 VanDerWaalsContact O-N 3.09Å; R153-L156 WeakPolarHBondContact O-CB 3.38Å; R153-L156 PolarHBondContact O-N 3.46Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 2.98Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 2.86Å; L156-L159 WeakPolarHBondContact O-CB 3.25Å; L156-L159 PolarHBondContact O-N 2.83Å; L156-L159 VanDerWaalsContact O-N 3.14Å; L156-R160 PolarHBondContact O-N 2.88Å; L156-Y166 HydrophobicContact CD1-CD2 4.22Å; L156-Y166 HydrophobicContact CD1-CE2 3.84Å; L156-Y166 HydrophobicContact CG-CE2 4.4Å; L156-D178 HydrophobicContact CD2-CB 3.77Å; L156-D178 VanDerWaalsContact CD2-OD1 3.25Å; L156-D178 WeakPolarHBondContact CD2-OD1 3.31Å; L156-L181 HydrophobicContact CD1-CB 3.9Å; L156-L181 HydrophobicContact CD1-CD1 4.32Å; L156-L181 HydrophobicContact CD2-CB 3.94Å; L156-L181 HydrophobicContact CD2-CD1 4.4Å; L156-I182 HydrophobicContact CB-CG2 4.24Å; L156-I182 HydrophobicContact CD2-CG2 3.82Å; L156-F185 HydrophobicContact CB-CE2 3.74Å; L156-F185 HydrophobicContact CD1-CE2 3.74Å; L156-F185 HydrophobicContact CD1-CZ 3.93Å; L156-F185 HydrophobicContact CG-CE2 4.28Å
157I92.5Very high89.1Confident37 Ų3748.4 Ų48.419%0.1922%0.215CC..Hα-helixtrans-61.7-41.6178.9-67.9168.3000110.8R153 T154 L155 L159 I282 N286R153-I157 WeakPolarHBondContact O-CG1 3.46Å; R153-I157 PolarHBondContact O-N 3.07Å; T154-I157 PolarHBondContact O-N 3.41Å; L155-I157 PolarHBondContact O-N 2.83Å; I157-L159 VanDerWaalsContact C-N 3.34Å; I157-I282 HydrophobicContact CB-CD1 4.38Å; I157-I282 HydrophobicContact CD1-CB 4.46Å; I157-I282 HydrophobicContact CG2-CD1 4.07Å; I157-N286 WeakPolarHBondContact CD1-ND2 3.16Å
158L91.9Very high89.2Confident3 Ų348.4 Ų48.42%0.01621%0.214CC..Hα-helixtrans-65-40.2175.3-64.1171.1000111.3T154 L155 L156 R160 K161 Y214 I218 L274 Y278 I279 I282T154-L158 HydrophobicContact CG2-CD1 4.2Å; T154-L158 VanDerWaalsContact O-CG 3.3Å; T154-L158 WeakPolarHBondContact O-CG 3.49Å; T154-L158 PolarHBondContact O-N 3.17Å; L155-L158 PolarHBondContact O-N 2.86Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 2.86Å; L158-R160 VanDerWaalsContact C-N 3.32Å; L158-R160 PolarHBondContact O-N 3.36Å; L158-K161 WeakPolarHBondContact O-CB 3.33Å; L158-K161 PolarHBondContact O-N 2.9Å; L158-Y214 HydrophobicContact CD1-CD1 3.75Å; L158-Y214 HydrophobicContact CD1-CE1 4.36Å; L158-Y214 HydrophobicContact CD1-CG 3.92Å; L158-I218 HydrophobicContact CB-CD1 3.89Å; L158-L274 HydrophobicContact CD1-CD1 4.49Å; L158-L274 HydrophobicContact CD2-CD2 4.35Å; L158-Y278 HydrophobicContact CD2-CD1 4.11Å; L158-Y278 HydrophobicContact CD2-CE1 3.93Å; L158-I279 HydrophobicContact CD1-CD1 4.29Å; L158-I279 HydrophobicContact CD1-CG1 4.06Å; L158-I279 HydrophobicContact CD2-CG1 4.16Å; L158-I282 HydrophobicContact CD2-CD1 3.99Å; L158-I282 HydrophobicContact CG-CD1 4.1Å
159L90.8Very high89.5Confident0 Ų047.2 Ų47.20%021%0.207CC..Hα-helixtrans-67.9-27.9-178.9-164.669.4000113.3L155 L156 I157 K161 H162 V165 I169 F185 I218 L221L155-L159 WeakPolarHBondContact O-CB 3.41Å; L155-L159 PolarHBondContact O-N 2.84Å; L156-L159 WeakPolarHBondContact O-CB 3.25Å; L156-L159 PolarHBondContact O-N 2.83Å; L156-L159 VanDerWaalsContact O-N 3.14Å; I157-L159 VanDerWaalsContact C-N 3.34Å; L159-K161 PolarHBondContact O-N 3.38Å; L159-K161 VanDerWaalsContact O-N 3.09Å; L159-H162 HydrophobicContact CD1-CB 4.42Å; L159-H162 CarbonylContact O-C 3.51Å; L159-H162 WeakPolarHBondContact O-CA 3.39Å; L159-H162 WeakPolarHBondContact O-CB 3.18Å; L159-H162 PolarHBondContact O-N 3.32Å; L159-V165 HydrophobicContact CD1-CB 4.26Å; L159-V165 HydrophobicContact CD1-CG1 3.93Å; L159-V165 HydrophobicContact CD2-CG1 4.19Å; L159-V165 HydrophobicContact CG-CG1 4.33Å; L159-I169 HydrophobicContact CD2-CD1 3.55Å; L159-F185 HydrophobicContact CD2-CE1 4.08Å; L159-F185 HydrophobicContact CD2-CZ 3.77Å; L159-I218 HydrophobicContact CD1-CG1 4.49Å; L159-L221 HydrophobicContact CD1-CB 4.29Å; L159-L221 HydrophobicContact CD1-CD1 3.77Å; L159-L221 HydrophobicContact CD2-CD1 3.85Å; L159-L221 HydrophobicContact CG-CD1 4.45Å
160R91.3Very high89.6Confident101 Ų10148.2 Ų48.238%0.38121%0.209SC..THydrogen-bonded Turntrans-55.8-25.8174.3-76.8178.7176.8163.92.1113.3L156 L158 H162 Y166 D178L156-R160 PolarHBondContact O-N 2.88Å; L158-R160 VanDerWaalsContact C-N 3.32Å; L158-R160 PolarHBondContact O-N 3.36Å; R160-H162 PolarHBondContact O-N 2.86Å; R160-Y166 HydrophobicContact CB-CD2 4.47Å; R160-Y166 HydrophobicContact CG-CD2 3.64Å; R160-Y166 HydrophobicContact CG-CE1 4.43Å; R160-Y166 HydrophobicContact CG-CE2 3.45Å; R160-Y166 VanDerWaalsContact CG-CE2 3.45Å; R160-Y166 HydrophobicContact CG-CG 4.23Å; R160-D178 IonicContact CZ-OD1 3.69Å; R160-D178 IonicContact CZ-OD2 3.74Å; R160-D178 IonicContact NH2-OD1 2.64Å; R160-D178 PolarHBondContact NH2-OD1 3.13Å; R160-D178 IonicContact NH2-OD2 2.7Å; R160-D178 PolarHBondContact NH2-OD2 3.26Å
161K88.9Confident89.3Confident139 Ų13955.9 Ų55.960%0.60424%0.237SC*.THydrogen-bonded Turntrans-68.1-20.7172.9-61.1-174.3179.1-176.80112.5L158 L159L158-K161 WeakPolarHBondContact O-CB 3.33Å; L158-K161 PolarHBondContact O-N 2.9Å; L159-K161 PolarHBondContact O-N 3.38Å; L159-K161 VanDerWaalsContact O-N 3.09Å
162H89Confident88.8Confident48 Ų4856.6 Ų56.622%0.22224%0.239CC..SBendtrans-101.667.9177-61-76.7000110.9L159 R160 K164 V165 Y166 F272L159-H162 HydrophobicContact CD1-CB 4.42Å; L159-H162 CarbonylContact O-C 3.51Å; L159-H162 WeakPolarHBondContact O-CA 3.39Å; L159-H162 WeakPolarHBondContact O-CB 3.18Å; L159-H162 PolarHBondContact O-N 3.32Å; R160-H162 PolarHBondContact O-N 2.86Å; H162-K164 VanDerWaalsContact C-N 3.27Å; H162-K164 PolarHBondContact O-N 2.96Å; H162-V165 HydrophobicContact CB-CB 4.39Å; H162-V165 HydrophobicContact CB-CG2 4.25Å; H162-V165 PolarHBondContact O-N 2.79Å; H162-Y166 PolarHBondContact O-N 2.89Å; H162-F272 AromaticContact CE1-CD1 3.32Å; H162-F272 WeakPolarHBondContact CE1-CD1 3.45Å; H162-F272 AromaticContact CE1-CE1 3.22Å; H162-F272 WeakPolarHBondContact CE1-CE1 3.3Å; H162-F272 AromaticContact ND1-CE1 3.86Å; H162-F272 AromaticContact NE2-CD1 3.79Å; H162-F272 AromaticContact NE2-CE1 4Å
163R89.1Confident88.3Confident195 Ų19553.7 Ų53.774%0.73623%0.228SC*.Hα-helixtrans-46.6-42.4-171.9-66-173.6179.8-176.8-0.2114.7V165 Y166 N167R163-V165 VanDerWaalsContact C-N 3.31Å; R163-V165 PolarHBondContact O-N 3.39Å; R163-Y166 PolarHBondContact O-N 3.49Å; R163-N167 VanDerWaalsContact O-CB 3.26Å; R163-N167 WeakPolarHBondContact O-CB 3.42Å; R163-N167 PolarHBondContact O-N 2.89Å; R163-N167 PolarHBondContact O-OD1 3.29Å; R163-N167 VanDerWaalsContact O-OD1 3.09Å
164K89.1Confident87.6Confident163 Ų16353.4 Ų53.471%0.70924%0.243SC*.Hα-helixtrans-59.1-41.5179.6-67.5-173.1178.8-176.60112.7H162 L168H162-K164 VanDerWaalsContact C-N 3.27Å; H162-K164 PolarHBondContact O-N 2.96Å; K164-L168 WeakPolarHBondContact O-CB 3.47Å; K164-L168 PolarHBondContact O-N 3.05Å
165V89Confident87Confident3 Ų354.9 Ų54.92%0.01825%0.253CS..Hα-helixtrans-74.3-47.7179.2-172.90000110.3L159 H162 R163 N167 L168 I169 L221 V222 Q225L159-V165 HydrophobicContact CD1-CB 4.26Å; L159-V165 HydrophobicContact CD1-CG1 3.93Å; L159-V165 HydrophobicContact CD2-CG1 4.19Å; L159-V165 HydrophobicContact CG-CG1 4.33Å; H162-V165 HydrophobicContact CB-CB 4.39Å; H162-V165 HydrophobicContact CB-CG2 4.25Å; H162-V165 PolarHBondContact O-N 2.79Å; R163-V165 VanDerWaalsContact C-N 3.31Å; R163-V165 PolarHBondContact O-N 3.39Å; V165-N167 PolarHBondContact O-N 3.48Å; V165-L168 PolarHBondContact O-N 3.07Å; V165-I169 HydrophobicContact CG1-CD1 4.15Å; V165-I169 WeakPolarHBondContact O-CG1 3.27Å; V165-I169 PolarHBondContact O-N 3.25Å; V165-L221 HydrophobicContact CG1-CB 3.88Å; V165-V222 HydrophobicContact CG2-CB 4.35Å; V165-V222 HydrophobicContact CG2-CG2 3.71Å; V165-Q225 HydrophobicContact CB-CB 4.39Å; V165-Q225 HydrophobicContact CB-CG 4.42Å; V165-Q225 HydrophobicContact CG1-CB 4.33Å; V165-Q225 HydrophobicContact CG2-CB 3.82Å; V165-Q225 HydrophobicContact CG2-CG 3.99Å
166Y90Very high86.8Confident30 Ų3058 Ų5812%0.11828%0.276CS..Hα-helixtrans-57.1-49.7179-176.9-96.7000111.8L156 R160 H162 R163 L168 I169 E170 L181L156-Y166 HydrophobicContact CD1-CD2 4.22Å; L156-Y166 HydrophobicContact CD1-CE2 3.84Å; L156-Y166 HydrophobicContact CG-CE2 4.4Å; R160-Y166 HydrophobicContact CB-CD2 4.47Å; R160-Y166 HydrophobicContact CG-CD2 3.64Å; R160-Y166 HydrophobicContact CG-CE1 4.43Å; R160-Y166 HydrophobicContact CG-CE2 3.45Å; R160-Y166 VanDerWaalsContact CG-CE2 3.45Å; R160-Y166 HydrophobicContact CG-CG 4.23Å; H162-Y166 PolarHBondContact O-N 2.89Å; R163-Y166 PolarHBondContact O-N 3.49Å; Y166-L168 VanDerWaalsContact C-N 3.3Å; Y166-L168 PolarHBondContact O-N 3.3Å; Y166-I169 PolarHBondContact O-N 3.41Å; Y166-I169 VanDerWaalsContact O-N 3.15Å; Y166-E170 WeakPolarHBondContact O-CB 3.22Å; Y166-E170 PolarHBondContact O-N 2.91Å; Y166-L181 HydrophobicContact CE2-CD1 3.97Å
167N87.9Confident86.5Confident78 Ų7861.7 Ų61.742%0.41730%0.296SS..Hα-helixtrans-64.8-33.7-180-645.8000112.4R163 V165 R171R163-N167 VanDerWaalsContact O-CB 3.26Å; R163-N167 WeakPolarHBondContact O-CB 3.42Å; R163-N167 PolarHBondContact O-N 2.89Å; R163-N167 PolarHBondContact O-OD1 3.29Å; R163-N167 VanDerWaalsContact O-OD1 3.09Å; V165-N167 PolarHBondContact O-N 3.48Å; N167-R171 VanDerWaalsContact O-CB 3.27Å; N167-R171 WeakPolarHBondContact O-CB 3.4Å; N167-R171 PolarHBondContact O-N 3.43Å
168L85.5Confident86.3Confident13 Ų1362 Ų627%0.06830%0.297CS..Hα-helixtrans-65.5-46.1174.3177.161.5000110.3K164 V165 Y166 R171 L172 W224 Q225 K228 V232K164-L168 WeakPolarHBondContact O-CB 3.47Å; K164-L168 PolarHBondContact O-N 3.05Å; V165-L168 PolarHBondContact O-N 3.07Å; Y166-L168 VanDerWaalsContact C-N 3.3Å; Y166-L168 PolarHBondContact O-N 3.3Å; L168-R171 PolarHBondContact O-N 2.95Å; L168-L172 HydrophobicContact CD1-CD1 3.82Å; L168-L172 HydrophobicContact CD1-CG 4Å; L168-L172 HydrophobicContact CD2-CD1 4.5Å; L168-L172 HydrophobicContact CG-CD1 3.83Å; L168-L172 HydrophobicContact CG-CG 4.39Å; L168-L172 WeakPolarHBondContact O-CB 3.32Å; L168-L172 VanDerWaalsContact O-CG 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.02Å; L168-W224 HydrophobicContact CD2-CE3 4.38Å; L168-W224 HydrophobicContact CD2-CH2 3.96Å; L168-W224 HydrophobicContact CD2-CZ3 3.77Å; L168-W224 HydrophobicContact CG-CH2 4.23Å; L168-W224 HydrophobicContact CG-CZ3 4.27Å; L168-Q225 HydrophobicContact CB-CG 4.46Å; L168-Q225 HydrophobicContact CD2-CB 4.15Å; L168-Q225 HydrophobicContact CD2-CG 3.79Å; L168-K228 HydrophobicContact CD2-CB 4.39Å; L168-V232 HydrophobicContact CD1-CG2 4.16Å
169I85.6Confident85.9Confident2 Ų263.7 Ų63.71%0.0131%0.312CS..Hα-helixtrans-63.4-45.3177.6-65174.5000110.7L159 V165 Y166 R171 L172 M173 L181 V184 L221 W224L159-I169 HydrophobicContact CD2-CD1 3.55Å; V165-I169 HydrophobicContact CG1-CD1 4.15Å; V165-I169 WeakPolarHBondContact O-CG1 3.27Å; V165-I169 PolarHBondContact O-N 3.25Å; Y166-I169 PolarHBondContact O-N 3.41Å; Y166-I169 VanDerWaalsContact O-N 3.15Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 2.91Å; I169-L172 PolarHBondContact O-N 3.24Å; I169-M173 HydrophobicContact CG2-CG 3.92Å; I169-M173 VanDerWaalsContact O-CB 3.3Å; I169-M173 WeakPolarHBondContact O-CB 3.46Å; I169-M173 WeakPolarHBondContact O-CG 3.46Å; I169-M173 PolarHBondContact O-N 3.36Å; I169-L181 HydrophobicContact CG2-CD2 3.84Å; I169-V184 HydrophobicContact CD1-CG1 4.49Å; I169-V184 HydrophobicContact CG2-CB 4.47Å; I169-V184 HydrophobicContact CG2-CG2 3.89Å; I169-L221 HydrophobicContact CD1-CD2 4.28Å; I169-W224 HydrophobicContact CG1-CH2 4.26Å; I169-W224 HydrophobicContact CG1-CZ3 3.93Å
170E85.8Confident85.5Confident52 Ų5264.7 Ų64.724%0.24332%0.318CS..Hα-helixtrans-56.7-45.7176.6-176.7178-156.900112Y166 G174 S175 S176 L181Y166-E170 WeakPolarHBondContact O-CB 3.22Å; Y166-E170 PolarHBondContact O-N 2.91Å; E170-G174 PolarHBondContact O-N 3.12Å; E170-S175 PolarHBondContact O-N 3.16Å; E170-S176 WeakPolarHBondContact OE1-CB 3.46Å; E170-S176 PolarHBondContact OE1-OG 2.88Å; E170-L181 HydrophobicContact CB-CD2 4.46Å
171R82.3Confident85.3Confident160 Ų16060 Ų6060%0.60430%0.3SS*.Hα-helixtrans-62.9-45.4175.5-174.4-177.6-62.4175.4-2.1112.1N167 L168 I169 G174N167-R171 VanDerWaalsContact O-CB 3.27Å; N167-R171 WeakPolarHBondContact O-CB 3.4Å; N167-R171 PolarHBondContact O-N 3.43Å; L168-R171 PolarHBondContact O-N 2.95Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 2.91Å; R171-G174 PolarHBondContact O-N 2.78Å
172L78.9Confident85.2Confident31 Ų3154 Ų5416%0.16228%0.275CS..Hα-helixtrans-71.5-33.2-177.7-71.1173.1000112.8L168 I169 G174 W224 L248 T252L168-L172 HydrophobicContact CD1-CD1 3.82Å; L168-L172 HydrophobicContact CD1-CG 4Å; L168-L172 HydrophobicContact CD2-CD1 4.5Å; L168-L172 HydrophobicContact CG-CD1 3.83Å; L168-L172 HydrophobicContact CG-CG 4.39Å; L168-L172 WeakPolarHBondContact O-CB 3.32Å; L168-L172 VanDerWaalsContact O-CG 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.02Å; I169-L172 PolarHBondContact O-N 3.24Å; L172-G174 VanDerWaalsContact C-N 3.3Å; L172-W224 HydrophobicContact CD1-CH2 3.64Å; L172-W224 HydrophobicContact CD1-CZ2 3.98Å; L172-L248 HydrophobicContact CD2-CD2 3.83Å; L172-L248 WeakPolarHBondContact O-CD2 3.46Å; L172-T252 HydrophobicContact CB-CG2 4.3Å; L172-T252 HydrophobicContact CD1-CG2 4.12Å
173M78.7Confident84.8Confident5 Ų559.6 Ų59.63%0.02529%0.294CS..Hα-helixtrans-79.9-16.7176-66-59.5-67.100112.4I169 S175 T180 L181 V184 R249I169-M173 HydrophobicContact CG2-CG 3.92Å; I169-M173 VanDerWaalsContact O-CB 3.3Å; I169-M173 WeakPolarHBondContact O-CB 3.46Å; I169-M173 WeakPolarHBondContact O-CG 3.46Å; I169-M173 PolarHBondContact O-N 3.36Å; M173-S175 PolarHBondContact O-N 3.45Å; M173-T180 HydrophobicContact CB-CG2 4.46Å; M173-T180 HydrophobicContact CE-CG2 3.77Å; M173-T180 WeakPolarHBondContact CE-O 3.45Å; M173-L181 HydrophobicContact CB-CD2 4.01Å; M173-L181 HydrophobicContact CG-CD2 4.09Å; M173-V184 HydrophobicContact CE-CG2 4.05Å; M173-V184 HydrophobicContact CG-CG2 3.76Å; M173-V184 HydrophobicContact SD-CG2 3.41Å; M173-V184 WeakPolarHBondContact SD-CG2 3.3Å; M173-R249 HydrophobicContact CE-CB 4.17Å; M173-R249 HydrophobicContact CE-CG 4.03Å; M173-R249 WeakPolarHBondContact O-CG 3.47Å; M173-R249 PolarHBondContact O-NE 3.44Å; M173-R249 HydrophobicContact SD-CB 4.34Å; M173-R249 HydrophobicContact SD-CG 4.26Å
174G76.8Confident84.4Confident50 Ų5050.4 Ų50.452%0.51526%0.26SS..THydrogen-bonded Turntrans60.831.7-177.700000112.4E170 R171 L172E170-G174 PolarHBondContact O-N 3.12Å; R171-G174 PolarHBondContact O-N 2.78Å; L172-G174 VanDerWaalsContact C-N 3.3Å
175S80.7Confident84.1Confident31 Ų3142.6 Ų42.622%0.21723%0.226CC..  trans-159.7136.8-176.9-176.10000110.6E170 M173 D177 L181E170-S175 PolarHBondContact O-N 3.16Å; M173-S175 PolarHBondContact O-N 3.45Å; S175-D177 VanDerWaalsContact C-N 3.33Å; S175-D177 WeakPolarHBondContact OG-CB 3.49Å; S175-D177 PolarHBondContact OG-N 2.9Å; S175-D177 VanDerWaalsContact OG-N 3.14Å; S175-L181 WeakPolarHBondContact O-CD2 3.37Å
176S85.6Confident83.1Confident76 Ų7649.1 Ų49.153%0.53125%0.254SS..  trans-88.1-3.6170.9-47.40000112.7E170 D178E170-S176 WeakPolarHBondContact OE1-CB 3.46Å; E170-S176 PolarHBondContact OE1-OG 2.88Å; S176-D178 PolarHBondContact O-N 3.37Å
177D86.7Confident81.7Confident79 Ų7952.8 Ų52.842%0.42227%0.269SS..  trans-71.6126.3-179.1161.758.6000111.8S175 A179 T180 L181S175-D177 VanDerWaalsContact C-N 3.33Å; S175-D177 WeakPolarHBondContact OG-CB 3.49Å; S175-D177 PolarHBondContact OG-N 2.9Å; S175-D177 VanDerWaalsContact OG-N 3.14Å; D177-A179 VanDerWaalsContact C-N 3.27Å; D177-A179 PolarHBondContact O-N 3.06Å; D177-A179 PolarHBondContact OD1-N 3.41Å; D177-A179 WeakPolarHBondContact OD2-CB 3.44Å; D177-A179 PolarHBondContact OD2-N 3.29Å; D177-T180 WeakPolarHBondContact O-CB 3.5Å; D177-T180 PolarHBondContact O-N 3.14Å; D177-T180 VanDerWaalsContact O-N 3.08Å; D177-T180 PolarHBondContact OD2-N 3.42Å; D177-T180 PolarHBondContact OD2-OG1 2.82Å; D177-L181 WeakPolarHBondContact O-CG 3.4Å; D177-L181 PolarHBondContact O-N 2.82Å
178D88.1Confident80.6Confident42 Ų4249.3 Ų49.323%0.22525%0.25CC..Hα-helixtrans-58.9-36.5-178.9-76.4-10.4000112.6L156 R160 S176 T180 L181 I182L156-D178 HydrophobicContact CD2-CB 3.77Å; L156-D178 VanDerWaalsContact CD2-OD1 3.25Å; L156-D178 WeakPolarHBondContact CD2-OD1 3.31Å; R160-D178 IonicContact CZ-OD1 3.69Å; R160-D178 IonicContact CZ-OD2 3.74Å; R160-D178 IonicContact NH2-OD1 2.64Å; R160-D178 PolarHBondContact NH2-OD1 3.13Å; R160-D178 IonicContact NH2-OD2 2.7Å; R160-D178 PolarHBondContact NH2-OD2 3.26Å; S176-D178 PolarHBondContact O-N 3.37Å; D178-T180 PolarHBondContact O-N 3.1Å; D178-L181 PolarHBondContact O-N 3.24Å; D178-I182 WeakPolarHBondContact O-CG1 3.35Å; D178-I182 WeakPolarHBondContact O-CG2 3.27Å; D178-I182 PolarHBondContact O-N 3.11Å
179A83.5Confident79.1Confident39 Ų3951.3 Ų51.332%0.32226%0.264SS..Hα-helixtrans-67.1-27.7-179.600000112.5D177 I182D177-A179 VanDerWaalsContact C-N 3.27Å; D177-A179 PolarHBondContact O-N 3.06Å; D177-A179 PolarHBondContact OD1-N 3.41Å; D177-A179 WeakPolarHBondContact OD2-CB 3.44Å; D177-A179 PolarHBondContact OD2-N 3.29Å; A179-I182 WeakPolarHBondContact O-CG1 3.01Å
180T83.2Confident77.7Confident22 Ų2254 Ų5414%0.13528%0.275CS..Hα-helixtrans-78.1-48.7172.3-55.90000110.7M173 D177 D178 I182 R183M173-T180 HydrophobicContact CB-CG2 4.46Å; M173-T180 HydrophobicContact CE-CG2 3.77Å; M173-T180 WeakPolarHBondContact CE-O 3.45Å; D177-T180 WeakPolarHBondContact O-CB 3.5Å; D177-T180 PolarHBondContact O-N 3.14Å; D177-T180 VanDerWaalsContact O-N 3.08Å; D177-T180 PolarHBondContact OD2-N 3.42Å; D177-T180 PolarHBondContact OD2-OG1 2.82Å; D178-T180 PolarHBondContact O-N 3.1Å; T180-I182 PolarHBondContact O-N 3.09Å; T180-R183 VanDerWaalsContact O-CB 3.31Å; T180-R183 WeakPolarHBondContact O-CB 3.46Å; T180-R183 WeakPolarHBondContact O-CG 3.37Å; T180-R183 PolarHBondContact O-N 3.39Å
181L86.5Confident76.3Confident1 Ų152 Ų521%0.00527%0.266CS..Hα-helixtrans-61.6-39-176.1-66.3172.9000113.3L156 Y166 I169 E170 M173 S175 D177 D178 R183 V184L156-L181 HydrophobicContact CD1-CB 3.9Å; L156-L181 HydrophobicContact CD1-CD1 4.32Å; L156-L181 HydrophobicContact CD2-CB 3.94Å; L156-L181 HydrophobicContact CD2-CD1 4.4Å; Y166-L181 HydrophobicContact CE2-CD1 3.97Å; I169-L181 HydrophobicContact CG2-CD2 3.84Å; E170-L181 HydrophobicContact CB-CD2 4.46Å; M173-L181 HydrophobicContact CB-CD2 4.01Å; M173-L181 HydrophobicContact CG-CD2 4.09Å; S175-L181 WeakPolarHBondContact O-CD2 3.37Å; D177-L181 WeakPolarHBondContact O-CG 3.4Å; D177-L181 PolarHBondContact O-N 2.82Å; D178-L181 PolarHBondContact O-N 3.24Å; L181-R183 PolarHBondContact O-N 3.12Å; L181-R183 VanDerWaalsContact O-N 3.08Å; L181-V184 WeakPolarHBondContact O-CB 3.48Å; L181-V184 WeakPolarHBondContact O-CG2 3.45Å; L181-V184 PolarHBondContact O-N 3.12Å
182I86.9Confident75.3Confident15 Ų1544.5 Ų44.58%0.07724%0.238CC..G310 helixtrans-62.8-17179.561.4178.2000114R152 R153 L156 D178 A179 T180 V184 F185R152-I182 HydrophobicContact CB-CB 4.32Å; R152-I182 HydrophobicContact CB-CG2 4.49Å; R153-I182 HydrophobicContact CG-CD1 4.43Å; R153-I182 HydrophobicContact CG-CG2 4.14Å; L156-I182 HydrophobicContact CB-CG2 4.24Å; L156-I182 HydrophobicContact CD2-CG2 3.82Å; D178-I182 WeakPolarHBondContact O-CG1 3.35Å; D178-I182 WeakPolarHBondContact O-CG2 3.27Å; D178-I182 PolarHBondContact O-N 3.11Å; A179-I182 WeakPolarHBondContact O-CG1 3.01Å; T180-I182 PolarHBondContact O-N 3.09Å; I182-V184 PolarHBondContact O-N 2.95Å; I182-F185 HydrophobicContact CB-CD2 4.31Å; I182-F185 HydrophobicContact CG2-CD2 4.36Å; I182-F185 WeakPolarHBondContact O-CB 3.5Å; I182-F185 PolarHBondContact O-N 3.23Å
183R81.6Confident74.6Confident164 Ų16447.7 Ų47.762%0.61926%0.256SS*.G310 helixtrans-64.9-28.1178.6-62.8-179-176.7-167.3-0.7112T180 L181 F185 K186T180-R183 VanDerWaalsContact O-CB 3.31Å; T180-R183 WeakPolarHBondContact O-CB 3.46Å; T180-R183 WeakPolarHBondContact O-CG 3.37Å; T180-R183 PolarHBondContact O-N 3.39Å; L181-R183 PolarHBondContact O-N 3.12Å; L181-R183 VanDerWaalsContact O-N 3.08Å; R183-F185 PolarHBondContact O-N 3.39Å; R183-K186 VanDerWaalsContact O-CB 3.24Å; R183-K186 WeakPolarHBondContact O-CB 3.32Å; R183-K186 PolarHBondContact O-N 3.05Å; R183-K186 VanDerWaalsContact O-N 3.08Å
184V79.9Confident74.6Confident2 Ų253 Ų531%0.01228%0.28CS..G310 helixtrans-59.9-29.4173-177.80000111.2I169 M173 L181 I182 K186 T252 I256I169-V184 HydrophobicContact CD1-CG1 4.49Å; I169-V184 HydrophobicContact CG2-CB 4.47Å; I169-V184 HydrophobicContact CG2-CG2 3.89Å; M173-V184 HydrophobicContact CE-CG2 4.05Å; M173-V184 HydrophobicContact CG-CG2 3.76Å; M173-V184 HydrophobicContact SD-CG2 3.41Å; M173-V184 WeakPolarHBondContact SD-CG2 3.3Å; L181-V184 WeakPolarHBondContact O-CB 3.48Å; L181-V184 WeakPolarHBondContact O-CG2 3.45Å; L181-V184 PolarHBondContact O-N 3.12Å; I182-V184 PolarHBondContact O-N 2.95Å; V184-K186 VanDerWaalsContact C-N 3.28Å; V184-K186 PolarHBondContact O-N 3.5Å; V184-T252 HydrophobicContact CG1-CG2 4.39Å; V184-T252 HydrophobicContact CG2-CG2 4.37Å; V184-I256 HydrophobicContact CG1-CD1 3.21Å
185F82Confident74.9Confident0 Ų053.4 Ų53.40%027%0.267CS..G310 helixtrans-83.65.1179.1-49.6-42.5000114.6R152 L155 L156 L159 I182 R183 Y187 L188 P189 L221R152-F185 HydrophobicContact CB-CB 4.41Å; R152-F185 HydrophobicContact CG-CB 4.15Å; R152-F185 WeakPolarHBondContact O-CD2 3.45Å; L155-F185 HydrophobicContact CB-CD2 4.48Å; L155-F185 HydrophobicContact CD2-CB 4.25Å; L155-F185 HydrophobicContact CD2-CD1 3.66Å; L155-F185 HydrophobicContact CD2-CD2 4.2Å; L155-F185 HydrophobicContact CD2-CE1 4.05Å; L155-F185 HydrophobicContact CD2-CG 3.77Å; L155-F185 HydrophobicContact CD2-CZ 4.48Å; L155-F185 HydrophobicContact CG-CD1 4.32Å; L155-F185 HydrophobicContact CG-CD2 4.38Å; L155-F185 HydrophobicContact CG-CE1 4.27Å; L155-F185 HydrophobicContact CG-CE2 4.32Å; L155-F185 HydrophobicContact CG-CG 4.4Å; L155-F185 HydrophobicContact CG-CZ 4.27Å; L156-F185 HydrophobicContact CB-CE2 3.74Å; L156-F185 HydrophobicContact CD1-CE2 3.74Å; L156-F185 HydrophobicContact CD1-CZ 3.93Å; L156-F185 HydrophobicContact CG-CE2 4.28Å; L159-F185 HydrophobicContact CD2-CE1 4.08Å; L159-F185 HydrophobicContact CD2-CZ 3.77Å; I182-F185 HydrophobicContact CB-CD2 4.31Å; I182-F185 HydrophobicContact CG2-CD2 4.36Å; I182-F185 WeakPolarHBondContact O-CB 3.5Å; I182-F185 PolarHBondContact O-N 3.23Å; R183-F185 PolarHBondContact O-N 3.39Å; F185-Y187 PolarHBondContact O-N 2.98Å; F185-Y187 VanDerWaalsContact O-N 3.1Å; F185-L188 HydrophobicContact CB-CB 4.26Å; F185-L188 HydrophobicContact CD1-CB 4.34Å; F185-L188 HydrophobicContact CD1-CD1 3.44Å; F185-L188 VanDerWaalsContact CD1-CD1 3.44Å; F185-L188 HydrophobicContact CD1-CG 4.43Å; F185-L188 HydrophobicContact CE1-CD1 4.05Å; F185-L188 HydrophobicContact CG-CD1 4.5Å; F185-L188 PolarHBondContact O-N 3.43Å; F185-L188 VanDerWaalsContact O-N 3.12Å; F185-P189 VanDerWaalsContact O-CD 3.29Å; F185-P189 WeakPolarHBondContact O-CD 3.33Å; F185-L221 HydrophobicContact CD1-CD1 4.45Å; F185-L221 HydrophobicContact CE1-CD1 3.75Å
186K69.7Low75Confident140 Ų14053.9 Ų53.961%0.60927%0.27SS*.G310 helixtrans-51.9-36.8-179.5-177.2178.2177.8-171.50112.6R183 V184R183-K186 VanDerWaalsContact O-CB 3.24Å; R183-K186 WeakPolarHBondContact O-CB 3.32Å; R183-K186 PolarHBondContact O-N 3.05Å; R183-K186 VanDerWaalsContact O-N 3.08Å; V184-K186 VanDerWaalsContact C-N 3.28Å; V184-K186 PolarHBondContact O-N 3.5Å
187Y60.2Low74.9Confident107 Ų10751.6 Ų51.642%0.4225%0.25SS..SBendtrans-104.7-10.3-178.4-53.2-71.3000113.3F185 P189 I191 A253F185-Y187 PolarHBondContact O-N 2.98Å; F185-Y187 VanDerWaalsContact O-N 3.1Å; Y187-P189 VanDerWaalsContact C-CD 3.46Å; Y187-I191 WeakPolarHBondContact O-CA 3.24Å; Y187-I191 WeakPolarHBondContact O-CB 3.42Å; Y187-I191 WeakPolarHBondContact O-CG1 3.46Å; Y187-A253 HydrophobicContact CD2-CB 4.23Å; Y187-A253 HydrophobicContact CE2-CB 4.17Å
188L63.5Low74.8Confident5 Ų549.3 Ų49.33%0.02624%0.237CC..G310 helixtrans-67.3-29.6-167-98150.7000116.9L155 F185 F190 I191 A217 I220 L221 I256L155-L188 HydrophobicContact CD2-CB 4.4Å; F185-L188 HydrophobicContact CB-CB 4.26Å; F185-L188 HydrophobicContact CD1-CB 4.34Å; F185-L188 HydrophobicContact CD1-CD1 3.44Å; F185-L188 VanDerWaalsContact CD1-CD1 3.44Å; F185-L188 HydrophobicContact CD1-CG 4.43Å; F185-L188 HydrophobicContact CE1-CD1 4.05Å; F185-L188 HydrophobicContact CG-CD1 4.5Å; F185-L188 PolarHBondContact O-N 3.43Å; F185-L188 VanDerWaalsContact O-N 3.12Å; L188-F190 PolarHBondContact O-N 3.46Å; L188-I191 HydrophobicContact CB-CD1 4.19Å; L188-I191 HydrophobicContact CD1-CD1 4.43Å; L188-I191 HydrophobicContact CD2-CB 4.44Å; L188-I191 HydrophobicContact CD2-CD1 3.93Å; L188-I191 HydrophobicContact CD2-CG2 3.86Å; L188-I191 HydrophobicContact CG-CD1 3.5Å; L188-A217 HydrophobicContact CD2-CB 4.21Å; L188-I220 HydrophobicContact CD2-CG2 4.28Å; L188-L221 HydrophobicContact CD1-CD1 4.05Å; L188-L221 HydrophobicContact CD1-CD2 3.58Å; L188-L221 HydrophobicContact CD1-CG 3.95Å; L188-L221 HydrophobicContact CD2-CD2 4.48Å; L188-L221 HydrophobicContact CD2-CG 4.18Å; L188-I256 HydrophobicContact CD1-CG2 4.28Å
189P54.7Low74.9Confident55 Ų5547.4 Ų47.436%0.35723%0.226SC..G310 helixtrans-58-24.3-179.4-28.936.7000114.5F185 Y187F185-P189 VanDerWaalsContact O-CD 3.29Å; F185-P189 WeakPolarHBondContact O-CD 3.33Å; Y187-P189 VanDerWaalsContact C-CD 3.46Å
190F57.2Low75.1Confident57 Ų5746 Ų4625%0.2521%0.213CC..G310 helixtrans-140.225.8-173.3-54.3-64.3000114.8L76 P108 I109 L188 C192 L213L76-F190 HydrophobicContact CD1-CB 3.9Å; L76-F190 HydrophobicContact CD1-CD2 3.3Å; L76-F190 HydrophobicContact CD1-CE2 4.2Å; L76-F190 HydrophobicContact CD1-CG 3.88Å; P108-F190 HydrophobicContact CB-CE2 4.39Å; I109-F190 HydrophobicContact CB-CE1 3.79Å; I109-F190 HydrophobicContact CB-CE2 4Å; I109-F190 HydrophobicContact CB-CZ 3.47Å; I109-F190 VanDerWaalsContact CB-CZ 3.47Å; I109-F190 HydrophobicContact CD1-CD1 3.77Å; I109-F190 HydrophobicContact CD1-CE1 3.16Å; I109-F190 HydrophobicContact CD1-CZ 3.8Å; I109-F190 HydrophobicContact CG1-CD1 3.72Å; I109-F190 HydrophobicContact CG1-CE1 3.3Å; I109-F190 HydrophobicContact CG1-CE2 4.23Å; I109-F190 HydrophobicContact CG1-CG 4.41Å; I109-F190 HydrophobicContact CG1-CZ 3.57Å; I109-F190 HydrophobicContact CG2-CZ 4.37Å; L188-F190 PolarHBondContact O-N 3.46Å; F190-C192 PolarHBondContact O-N 2.81Å; F190-C192 VanDerWaalsContact O-N 3.14Å; F190-L213 HydrophobicContact CE1-CD1 4.03Å
191I54.9Low75.3Confident11 Ų1145.6 Ų45.66%0.05621%0.21CC..  trans-75.5-8.3-148-149166.1000117.9Y187 L188 I220 I256 C260Y187-I191 WeakPolarHBondContact O-CA 3.24Å; Y187-I191 WeakPolarHBondContact O-CB 3.42Å; Y187-I191 WeakPolarHBondContact O-CG1 3.46Å; L188-I191 HydrophobicContact CB-CD1 4.19Å; L188-I191 HydrophobicContact CD1-CD1 4.43Å; L188-I191 HydrophobicContact CD2-CB 4.44Å; L188-I191 HydrophobicContact CD2-CD1 3.93Å; L188-I191 HydrophobicContact CD2-CG2 3.86Å; L188-I191 HydrophobicContact CG-CD1 3.5Å; I191-I220 HydrophobicContact CG2-CD1 3.59Å; I191-I220 HydrophobicContact CG2-CG2 4.17Å; I191-I256 HydrophobicContact CD1-CG2 3.77Å; I191-C260 HydrophobicContact CG1-CB 4.29Å; I191-C260 HydrophobicContact CG2-CB 4Å; I191-C260 WeakPolarHBondContact CG2-SG 3.3Å; I191-C260 WeakPolarHBondContact O-CB 3.42Å
192C61.6Low75.5Confident3 Ų346 Ų462%0.0221%0.212CC..  trans-93.2114.7-177.6-750000110.3F190 H194 F197 K198 I220F190-C192 PolarHBondContact O-N 2.81Å; F190-C192 VanDerWaalsContact O-N 3.14Å; C192-H194 VanDerWaalsContact C-N 3.26Å; C192-H194 PolarHBondContact O-N 3.29Å; C192-F197 HydrophobicContact CB-CD1 3.05Å; C192-F197 HydrophobicContact CB-CE1 3.35Å; C192-F197 HydrophobicContact CB-CG 3.97Å; C192-F197 WeakPolarHBondContact SG-CE1 3.2Å; C192-K198 WeakPolarHBondContact O-CE 3.42Å; C192-K198 VanDerWaalsContact O-CG 3.31Å; C192-K198 WeakPolarHBondContact O-CG 3.34Å; C192-I220 WeakPolarHBondContact SG-CD1 2.97Å
193N63.9Low75.6Confident98 Ų9845.3 Ų45.352%0.52421%0.209SC..  trans-70-19.3-176.8-78.5-26.4000113.9Y195 S261N193-Y195 PolarHBondContact O-N 2.81Å; N193-S261 PolarHBondContact ND2-OG 3.48Å
194H78.5Confident76Confident117 Ų11737.5 Ų37.554%0.54218%0.18SC..  trans-70.4118.9-177.8-160.4-70.5000111.9C192 S196 F197 K198C192-H194 VanDerWaalsContact C-N 3.26Å; C192-H194 PolarHBondContact O-N 3.29Å; H194-S196 PolarHBondContact CE1-OG 3.12Å; H194-S196 VanDerWaalsContact CE1-OG 3.3Å; H194-S196 WeakPolarHBondContact ND1-CB 3.33Å; H194-S196 PolarHBondContact ND1-N 3.24Å; H194-S196 PolarHBondContact O-N 3.01Å; H194-F197 HydrophobicContact CB-CB 4.19Å; H194-F197 WeakPolarHBondContact O-CB 3.48Å; H194-F197 PolarHBondContact O-N 3.33Å; H194-K198 PolarHBondContact O-N 2.86Å
195Y83.5Confident76.5Confident58 Ų5837.6 Ų37.623%0.22718%0.18CC..Hα-helixtrans-50.8-51.4-178.9-179.4-98.1000112.6Y80 L116 H119 Y120 N193 F197 K198 V199Y80-Y195 AromaticContact CD1-CD2 3.66Å; Y80-Y195 HydrophobicContact CD1-CD2 3.66Å; Y80-Y195 HydrophobicContact CD1-CE2 4.09Å; Y80-Y195 HydrophobicContact CE1-CD2 4.47Å; Y80-Y195 AromaticContact CG-CD2 3.97Å; Y80-Y195 HydrophobicContact CG-CD2 3.97Å; Y80-Y195 AromaticContact CG-CE2 3.94Å; Y80-Y195 HydrophobicContact CG-CE2 3.94Å; L116-Y195 HydrophobicContact CD2-CD2 4.24Å; L116-Y195 HydrophobicContact CD2-CE2 3.55Å; H119-Y195 WeakPolarHBondContact CB-OH 3.49Å; Y120-Y195 VanDerWaalsContact CE2-OH 3.31Å; Y120-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y120-Y195 PolarHBondContact OH-OH 2.92Å; N193-Y195 PolarHBondContact O-N 2.81Å; Y195-F197 PolarHBondContact O-N 2.92Å; Y195-F197 VanDerWaalsContact O-N 3.13Å; Y195-K198 PolarHBondContact O-N 2.97Å; Y195-V199 HydrophobicContact CD1-CG2 4.01Å; Y195-V199 HydrophobicContact CE1-CG2 3.58Å; Y195-V199 HydrophobicContact CE2-CG2 4.22Å; Y195-V199 HydrophobicContact CG-CG2 4.48Å; Y195-V199 WeakPolarHBondContact O-CG2 3.32Å; Y195-V199 PolarHBondContact O-N 2.88Å
196S83.6Confident76.9Confident41 Ų4137.7 Ų37.729%0.28718%0.18SC..Hα-helixtrans-57.8-31.2179.3-47.20000113.6H194 R200H194-S196 PolarHBondContact CE1-OG 3.12Å; H194-S196 VanDerWaalsContact CE1-OG 3.3Å; H194-S196 WeakPolarHBondContact ND1-CB 3.33Å; H194-S196 PolarHBondContact ND1-N 3.24Å; H194-S196 PolarHBondContact O-N 3.01Å; S196-R200 WeakPolarHBondContact O-CG 3.49Å; S196-R200 PolarHBondContact O-N 2.85Å
197F83.3Confident77.7Confident27 Ų2732.1 Ų32.112%0.11816%0.156CC..Hα-helixtrans-72.3-45.6176.9177.6-96.6000111.2C192 H194 Y195 V199 R200 V201 V216 P267C192-F197 HydrophobicContact CB-CD1 3.05Å; C192-F197 HydrophobicContact CB-CE1 3.35Å; C192-F197 HydrophobicContact CB-CG 3.97Å; C192-F197 WeakPolarHBondContact SG-CE1 3.2Å; H194-F197 HydrophobicContact CB-CB 4.19Å; H194-F197 WeakPolarHBondContact O-CB 3.48Å; H194-F197 PolarHBondContact O-N 3.33Å; Y195-F197 PolarHBondContact O-N 2.92Å; Y195-F197 VanDerWaalsContact O-N 3.13Å; F197-V199 VanDerWaalsContact C-N 3.31Å; F197-V199 PolarHBondContact O-N 3.39Å; F197-R200 PolarHBondContact O-N 3.21Å; F197-R200 VanDerWaalsContact O-N 3.15Å; F197-V201 HydrophobicContact CD1-CG2 4.02Å; F197-V201 HydrophobicContact CE1-CG2 3.43Å; F197-V201 VanDerWaalsContact CE1-CG2 3.43Å; F197-V201 HydrophobicContact CE2-CG2 3.87Å; F197-V201 HydrophobicContact CZ-CG2 3.34Å; F197-V201 WeakPolarHBondContact O-CG2 3.41Å; F197-V201 PolarHBondContact O-N 3.45Å; F197-V216 HydrophobicContact CE1-CG1 4.03Å; F197-V216 HydrophobicContact CZ-CG1 3.67Å; F197-P267 HydrophobicContact CD2-CG 4.32Å; F197-P267 HydrophobicContact CE2-CG 3.2Å; F197-P267 HydrophobicContact CZ-CG 3.3Å
198K85.4Confident79Confident32 Ų3227.6 Ų27.614%0.13914%0.139CC..Hα-helixtrans-58.1-44.2177.3-66.2179.9174.9-170.90111.7Y80 C192 H194 Y195 R200 V201 L202Y80-K198 HydrophobicContact CE1-CD 3.4Å; Y80-K198 VanDerWaalsContact CE1-NZ 3.31Å; Y80-K198 WeakPolarHBondContact OH-CD 3.48Å; Y80-K198 PolarHBondContact OH-NZ 2.82Å; C192-K198 WeakPolarHBondContact O-CE 3.42Å; C192-K198 VanDerWaalsContact O-CG 3.31Å; C192-K198 WeakPolarHBondContact O-CG 3.34Å; H194-K198 PolarHBondContact O-N 2.86Å; Y195-K198 PolarHBondContact O-N 2.97Å; K198-R200 VanDerWaalsContact C-N 3.35Å; K198-R200 PolarHBondContact O-N 3.42Å; K198-V201 PolarHBondContact O-N 2.87Å; K198-L202 WeakPolarHBondContact O-CB 3.47Å; K198-L202 PolarHBondContact O-N 3.39Å
199V89.1Confident80.2Confident1 Ų127.4 Ų27.41%0.00614%0.138CC..Hα-helixtrans-59.6-43.8176.11730000111.5W37 L116 Y120 Y195 F197 L202 D203W37-V199 HydrophobicContact CH2-CG1 4.45Å; W37-V199 HydrophobicContact CZ2-CG1 4.19Å; L116-V199 HydrophobicContact CD2-CG2 4.06Å; Y120-V199 HydrophobicContact CE2-CG2 4.25Å; Y120-V199 WeakPolarHBondContact OH-CG2 3.26Å; Y195-V199 HydrophobicContact CD1-CG2 4.01Å; Y195-V199 HydrophobicContact CE1-CG2 3.58Å; Y195-V199 HydrophobicContact CE2-CG2 4.22Å; Y195-V199 HydrophobicContact CG-CG2 4.48Å; Y195-V199 WeakPolarHBondContact O-CG2 3.32Å; Y195-V199 PolarHBondContact O-N 2.88Å; F197-V199 VanDerWaalsContact C-N 3.31Å; F197-V199 PolarHBondContact O-N 3.39Å; V199-L202 WeakPolarHBondContact O-CB 3.11Å; V199-L202 PolarHBondContact O-N 3.01Å; V199-D203 VanDerWaalsContact O-CG 3.32Å; V199-D203 PolarHBondContact O-N 2.98Å
200R87.4Confident81.7Confident10 Ų1025.8 Ų25.84%0.03813%0.125CC..Hα-helixtrans-65.3-39176.2-76.1-63.6-56.7114.5-0.6112.9L21 R22 N24 N25 S196 F197 K198 L202 D203 W268L21-R200 PolarHBondContact O-NH1 3.35Å; L21-R200 PolarHBondContact O-NH2 3.31Å; R22-R200 PolarHBondContact O-NH2 3.33Å; N24-R200 VanDerWaalsContact O-CZ 3.26Å; N24-R200 PolarHBondContact O-NH2 2.77Å; N25-R200 VanDerWaalsContact OD1-CD 3.29Å; N25-R200 WeakPolarHBondContact OD1-CD 3.33Å; N25-R200 PolarHBondContact OD1-NE 3.41Å; S196-R200 WeakPolarHBondContact O-CG 3.49Å; S196-R200 PolarHBondContact O-N 2.85Å; F197-R200 PolarHBondContact O-N 3.21Å; F197-R200 VanDerWaalsContact O-N 3.15Å; K198-R200 VanDerWaalsContact C-N 3.35Å; K198-R200 PolarHBondContact O-N 3.42Å; R200-L202 VanDerWaalsContact C-N 3.29Å; R200-D203 IonicContact CZ-OD2 3.85Å; R200-D203 IonicContact NH1-OD2 2.81Å; R200-D203 PolarHBondContact NH1-OD2 2.78Å; R200-W268 HydrophobicContact CB-CZ2 4.09Å; R200-W268 VanDerWaalsContact O-CZ2 3.28Å; R200-W268 WeakPolarHBondContact O-CZ2 3.19Å
201V87.5Confident83.1Confident14 Ų1424.4 Ų24.49%0.08512%0.119CC..Hα-helixtrans-62.7-42.3174.1172.70000109.9F197 K198 C204 F205 I212 L213 V216 W268F197-V201 HydrophobicContact CD1-CG2 4.02Å; F197-V201 HydrophobicContact CE1-CG2 3.43Å; F197-V201 VanDerWaalsContact CE1-CG2 3.43Å; F197-V201 HydrophobicContact CE2-CG2 3.87Å; F197-V201 HydrophobicContact CZ-CG2 3.34Å; F197-V201 WeakPolarHBondContact O-CG2 3.41Å; F197-V201 PolarHBondContact O-N 3.45Å; K198-V201 PolarHBondContact O-N 2.87Å; V201-C204 PolarHBondContact O-N 3.47Å; V201-F205 WeakPolarHBondContact O-CB 3.26Å; V201-F205 PolarHBondContact O-N 2.94Å; V201-I212 HydrophobicContact CG1-CG2 4.16Å; V201-L213 HydrophobicContact CG1-CD2 3.84Å; V201-V216 HydrophobicContact CG1-CG2 4.47Å; V201-V216 HydrophobicContact CG2-CG1 4.38Å; V201-V216 HydrophobicContact CG2-CG2 4.03Å; V201-W268 HydrophobicContact CG2-CZ2 4.14Å
202L90.1Very high84.6Confident9 Ų924 Ų245%0.04712%0.117CC..Hα-helixtrans-61.2-45179.3-173.954.1000112W37 L113 L116 F117 K198 V199 R200 C204 F205 L206W37-L202 HydrophobicContact CE3-CD2 4.32Å; W37-L202 HydrophobicContact CH2-CB 4.49Å; W37-L202 HydrophobicContact CH2-CD2 3.33Å; W37-L202 HydrophobicContact CH2-CG 4Å; W37-L202 HydrophobicContact CZ2-CB 4.15Å; W37-L202 HydrophobicContact CZ2-CD2 3.73Å; W37-L202 HydrophobicContact CZ2-CG 3.85Å; W37-L202 HydrophobicContact CZ3-CD2 3.65Å; W37-L202 HydrophobicContact CZ3-CG 4.48Å; L113-L202 HydrophobicContact CD1-CD1 3.59Å; L113-L202 HydrophobicContact CD1-CD2 4.26Å; L116-L202 HydrophobicContact CB-CD2 3.83Å; L116-L202 HydrophobicContact CD1-CD2 3.83Å; L116-L202 HydrophobicContact CG-CD2 4.41Å; F117-L202 HydrophobicContact CD1-CD2 4.48Å; F117-L202 HydrophobicContact CE1-CD2 4.29Å; K198-L202 WeakPolarHBondContact O-CB 3.47Å; K198-L202 PolarHBondContact O-N 3.39Å; V199-L202 WeakPolarHBondContact O-CB 3.11Å; V199-L202 PolarHBondContact O-N 3.01Å; R200-L202 VanDerWaalsContact C-N 3.29Å; L202-C204 PolarHBondContact O-N 2.89Å; L202-C204 VanDerWaalsContact O-N 3.11Å; L202-F205 HydrophobicContact CD1-CD1 3.89Å; L202-F205 PolarHBondContact O-N 2.94Å; L202-L206 HydrophobicContact CD1-CD1 4.26Å; L202-L206 HydrophobicContact CD1-CD2 3.73Å; L202-L206 HydrophobicContact CD1-CG 3.76Å; L202-L206 HydrophobicContact CG-CD1 4.24Å; L202-L206 HydrophobicContact CG-CG 4.2Å; L202-L206 WeakPolarHBondContact O-CG 3.13Å; L202-L206 PolarHBondContact O-N 3.36Å
203D90.5Very high85.8Confident0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-49.6-41.6175.7-65-33.6000112.3R33 W37 V199 R200R33-D203 IonicContact CZ-OD1 2.87Å; R33-D203 IonicContact CZ-OD2 3.34Å; R33-D203 IonicContact NE-OD1 2.83Å; R33-D203 PolarHBondContact NE-OD1 3.3Å; R33-D203 IonicContact NE-OD2 3.78Å; R33-D203 PolarHBondContact NE-OD2 3.26Å; R33-D203 IonicContact NH2-OD1 3.78Å; R33-D203 IonicContact NH2-OD2 3.49Å; R33-D203 PolarHBondContact NH2-OD2 2.89Å; W37-D203 PolarHBondContact NE1-OD1 2.6Å; V199-D203 VanDerWaalsContact O-CG 3.32Å; V199-D203 PolarHBondContact O-N 2.98Å; R200-D203 IonicContact CZ-OD2 3.85Å; R200-D203 IonicContact NH1-OD2 2.81Å; R200-D203 PolarHBondContact NH1-OD2 2.78Å
204C89.1Confident87Confident1 Ų121 Ų211%0.00710%0.1CC..Hα-helixtrans-85.1-34.5178.8-60.60000112.8V201 L202 F207 E208 I212 W268V201-C204 PolarHBondContact O-N 3.47Å; L202-C204 PolarHBondContact O-N 2.89Å; L202-C204 VanDerWaalsContact O-N 3.11Å; C204-F207 PolarHBondContact O-N 3.13Å; C204-E208 WeakPolarHBondContact O-CB 3.24Å; C204-E208 PolarHBondContact O-N 2.98Å; C204-I212 HydrophobicContact CB-CD1 4.18Å; C204-I212 HydrophobicContact CB-CG1 4.03Å; C204-I212 HydrophobicContact CB-CG2 4.16Å; C204-W268 HydrophobicContact CB-CH2 3.68Å; C204-W268 HydrophobicContact CB-CZ3 3.9Å; C204-W268 WeakPolarHBondContact SG-CH2 3.31Å; C204-W268 WeakPolarHBondContact SG-CZ3 3.39Å
205F90Very high87.4Confident3 Ų316.9 Ų16.91%0.0138%0.08CC..Hα-helixtrans-61.1-44.7-179.7169.3-100.1000111.4F140 L141 V201 L202 F207 E208 G209 L213F140-F205 HydrophobicContact CB-CZ 4.01Å; F140-F205 HydrophobicContact CD1-CE1 4.19Å; F140-F205 HydrophobicContact CD1-CE2 4.37Å; F140-F205 HydrophobicContact CD1-CZ 4.05Å; F140-F205 WeakPolarHBondContact CE1-O 3.41Å; F140-F205 WeakPolarHBondContact O-CZ 3.29Å; L141-F205 HydrophobicContact CD2-CE1 4.48Å; L141-F205 HydrophobicContact CD2-CZ 4.16Å; V201-F205 WeakPolarHBondContact O-CB 3.26Å; V201-F205 PolarHBondContact O-N 2.94Å; L202-F205 HydrophobicContact CD1-CD1 3.89Å; L202-F205 PolarHBondContact O-N 2.94Å; F205-F207 PolarHBondContact O-N 3.12Å; F205-F207 VanDerWaalsContact O-N 3.1Å; F205-E208 PolarHBondContact O-N 3.2Å; F205-G209 VanDerWaalsContact O-CA 3.3Å; F205-G209 WeakPolarHBondContact O-CA 3.31Å; F205-G209 PolarHBondContact O-N 3.49Å; F205-L213 HydrophobicContact CD2-CD1 4.04Å; F205-L213 HydrophobicContact CD2-CD2 4.07Å; F205-L213 HydrophobicContact CD2-CG 3.89Å; F205-L213 HydrophobicContact CE2-CD1 3.85Å; F205-L213 HydrophobicContact CE2-CG 4.19Å
206L90.3Very high87.6Confident2 Ų214.9 Ų14.91%0.017%0.073CC..Hα-helixtrans-59.1-25.5-179.4-64.3178000113W37 I40 F117 L133 F140 L202W37-L206 HydrophobicContact CB-CD1 3.73Å; W37-L206 HydrophobicContact CD2-CD1 3.79Å; W37-L206 HydrophobicContact CG-CD1 3.41Å; W37-L206 VanDerWaalsContact CG-CD1 3.41Å; I40-L206 VanDerWaalsContact CG2-C 3.47Å; I40-L206 HydrophobicContact CG2-CB 3.72Å; I40-L206 VanDerWaalsContact CG2-O 3.27Å; I40-L206 WeakPolarHBondContact CG2-O 3.35Å; F117-L206 HydrophobicContact CE1-CD1 4.13Å; F117-L206 HydrophobicContact CE1-CD2 4.05Å; F117-L206 HydrophobicContact CZ-CD2 3.86Å; L133-L206 HydrophobicContact CD1-CD2 3.75Å; L133-L206 HydrophobicContact CD2-CD2 4.22Å; F140-L206 WeakPolarHBondContact CE1-O 3.5Å; F140-L206 VanDerWaalsContact CZ-O 3.23Å; F140-L206 WeakPolarHBondContact CZ-O 3.22Å; L202-L206 HydrophobicContact CD1-CD1 4.26Å; L202-L206 HydrophobicContact CD1-CD2 3.73Å; L202-L206 HydrophobicContact CD1-CG 3.76Å; L202-L206 HydrophobicContact CG-CD1 4.24Å; L202-L206 HydrophobicContact CG-CG 4.2Å; L202-L206 WeakPolarHBondContact O-CG 3.13Å; L202-L206 PolarHBondContact O-N 3.36Å
207F88.4Confident87.7Confident24 Ų2413.1 Ų13.111%0.1056%0.061CC..Hα-helixtrans-95.3-47.5178-171-104.2000112.9F14 L17 K18 L21 I40 K139 C204 F205F14-F207 HydrophobicContact CD1-CE1 4.31Å; F14-F207 HydrophobicContact CD1-CZ 4.33Å; F14-F207 AromaticContact CD2-CE1 3.93Å; F14-F207 HydrophobicContact CD2-CE1 3.93Å; F14-F207 HydrophobicContact CD2-CE2 4.15Å; F14-F207 AromaticContact CD2-CZ 3.32Å; F14-F207 HydrophobicContact CD2-CZ 3.32Å; F14-F207 HydrophobicContact CE1-CE1 4Å; F14-F207 HydrophobicContact CE1-CZ 4.35Å; F14-F207 AromaticContact CE2-CE1 3.58Å; F14-F207 HydrophobicContact CE2-CE1 3.58Å; F14-F207 HydrophobicContact CE2-CE2 4.13Å; F14-F207 AromaticContact CE2-CZ 3.34Å; F14-F207 HydrophobicContact CE2-CZ 3.34Å; F14-F207 HydrophobicContact CG-CE1 4.27Å; F14-F207 AromaticContact CG-CZ 3.83Å; F14-F207 HydrophobicContact CG-CZ 3.83Å; F14-F207 AromaticContact CZ-CE1 3.61Å; F14-F207 HydrophobicContact CZ-CE1 3.61Å; F14-F207 AromaticContact CZ-CZ 3.89Å; F14-F207 HydrophobicContact CZ-CZ 3.89Å; L17-F207 HydrophobicContact CB-CE2 4.38Å; L17-F207 HydrophobicContact CB-CZ 4.25Å; L17-F207 HydrophobicContact CD2-CD2 3.9Å; L17-F207 HydrophobicContact CD2-CE2 3.5Å; L17-F207 VanDerWaalsContact CD2-CE2 3.5Å; L17-F207 HydrophobicContact CD2-CZ 4.19Å; L17-F207 HydrophobicContact CG-CD2 4.26Å; L17-F207 HydrophobicContact CG-CE2 3.98Å; L17-F207 HydrophobicContact CG-CZ 4.29Å; K18-F207 HydrophobicContact CB-CD1 4.23Å; K18-F207 HydrophobicContact CB-CE1 3.74Å; K18-F207 HydrophobicContact CG-CE1 4.37Å; L21-F207 HydrophobicContact CD1-CB 3.43Å; L21-F207 VanDerWaalsContact CD1-CB 3.43Å; L21-F207 HydrophobicContact CD1-CD1 4.19Å; L21-F207 HydrophobicContact CD1-CD2 4.29Å; L21-F207 HydrophobicContact CD1-CG 3.72Å; I40-F207 HydrophobicContact CG2-CB 4.2Å; I40-F207 HydrophobicContact CG2-CD2 4.37Å; K139-F207 VanDerWaalsContact CE-O 3.3Å; K139-F207 WeakPolarHBondContact CE-O 3.42Å; K139-F207 PolarHBondContact NZ-O 3.38Å; C204-F207 PolarHBondContact O-N 3.13Å; F205-F207 PolarHBondContact O-N 3.12Å; F205-F207 VanDerWaalsContact O-N 3.1Å
208E87Confident88Confident12 Ų1211.9 Ų11.96%0.0566%0.056CC..Hα-helixtrans-97.3-13.8-170.1-68.8-160.2-119.500115.3K18 R22 C204 F205 K211 I212K18-E208 VanDerWaalsContact CE-OE2 3.3Å; K18-E208 WeakPolarHBondContact CE-OE2 3.44Å; K18-E208 HydrophobicContact CG-CG 4.38Å; K18-E208 IonicContact NZ-OE2 3.33Å; R22-E208 IonicContact CZ-OE1 3.02Å; R22-E208 IonicContact CZ-OE2 2.79Å; R22-E208 IonicContact NE-OE1 2.65Å; R22-E208 PolarHBondContact NE-OE1 2.89Å; R22-E208 IonicContact NH2-OE1 2.9Å; R22-E208 PolarHBondContact NH2-OE1 3.21Å; R22-E208 IonicContact NH2-OE2 3.55Å; R22-E208 PolarHBondContact NH2-OE2 3.2Å; C204-E208 WeakPolarHBondContact O-CB 3.24Å; C204-E208 PolarHBondContact O-N 2.98Å; F205-E208 PolarHBondContact O-N 3.2Å; E208-K211 WeakPolarHBondContact OE2-CE 3.26Å; E208-K211 IonicContact OE2-NZ 2.72Å; E208-K211 PolarHBondContact OE2-NZ 2.62Å; E208-I212 HydrophobicContact CB-CD1 4.14Å; E208-I212 HydrophobicContact CB-CG1 3.54Å; E208-I212 HydrophobicContact CG-CD1 4.42Å; E208-I212 HydrophobicContact CG-CG1 4.27Å; E208-I212 WeakPolarHBondContact OE1-CD1 3.39Å
209G87.6Confident88.1Confident0 Ų010.5 Ų10.50%05%0.05CC..THydrogen-bonded Turntrans72.9-158.7179.700000115.2K139 F205 K211 I212K139-G209 CarbonylContact O-C 3.58Å; K139-G209 VanDerWaalsContact O-CA 3.23Å; K139-G209 WeakPolarHBondContact O-CA 3.21Å; F205-G209 VanDerWaalsContact O-CA 3.3Å; F205-G209 WeakPolarHBondContact O-CA 3.31Å; F205-G209 PolarHBondContact O-N 3.49Å; G209-K211 PolarHBondContact O-N 3.47Å; G209-I212 PolarHBondContact O-N 3.37Å
210Q86Confident87.9Confident21 Ų2110.5 Ų10.510%0.0985%0.05CC..Hα-helixtrans-50-28.3-176.3-78-70.6-21.700114.4K139 F140 I212 L213 Y214K139-Q210 WeakPolarHBondContact O-CG 3.47Å; K139-Q210 PolarHBondContact O-N 3.45Å; F140-Q210 WeakPolarHBondContact O-CG 3.15Å; F140-Q210 PolarHBondContact O-NE2 3.28Å; Q210-I212 PolarHBondContact O-N 2.91Å; Q210-I212 VanDerWaalsContact O-N 3.15Å; Q210-L213 WeakPolarHBondContact O-CB 3.25Å; Q210-L213 PolarHBondContact O-N 3.13Å; Q210-Y214 HydrophobicContact CB-CE2 4.38Å; Q210-Y214 VanDerWaalsContact O-CD2 3.26Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.46Å; Q210-Y214 PolarHBondContact O-N 3.16Å
211K87.4Confident87.9Confident29 Ų2910 Ų1013%0.1265%0.048CC..Hα-helixtrans-53.1-35.4175.3-166.7-178.970.7-152.50113.2E208 G209 R215 L274 M276 I279E208-K211 WeakPolarHBondContact OE2-CE 3.26Å; E208-K211 IonicContact OE2-NZ 2.72Å; E208-K211 PolarHBondContact OE2-NZ 2.62Å; G209-K211 PolarHBondContact O-N 3.47Å; K211-R215 VanDerWaalsContact O-CG 3.32Å; K211-R215 WeakPolarHBondContact O-CG 3.41Å; K211-R215 PolarHBondContact O-N 2.86Å; K211-R215 VanDerWaalsContact O-N 3.13Å; K211-L274 HydrophobicContact CG-CB 4.4Å; K211-M276 HydrophobicContact CB-SD 3.68Å; K211-M276 HydrophobicContact CD-CB 4.3Å; K211-M276 HydrophobicContact CD-SD 4.39Å; K211-M276 HydrophobicContact CG-SD 4.18Å; K211-I279 HydrophobicContact CG-CD1 4.17Å
212I86.7Confident87.9Confident3 Ų310 Ų102%0.0155%0.048CC..Hα-helixtrans-68.7-39.8177.9-71.5-59.6000111V201 C204 E208 G209 Q210 Y214 R215 V216 W268V201-I212 HydrophobicContact CG1-CG2 4.16Å; C204-I212 HydrophobicContact CB-CD1 4.18Å; C204-I212 HydrophobicContact CB-CG1 4.03Å; C204-I212 HydrophobicContact CB-CG2 4.16Å; E208-I212 HydrophobicContact CB-CD1 4.14Å; E208-I212 HydrophobicContact CB-CG1 3.54Å; E208-I212 HydrophobicContact CG-CD1 4.42Å; E208-I212 HydrophobicContact CG-CG1 4.27Å; E208-I212 WeakPolarHBondContact OE1-CD1 3.39Å; G209-I212 PolarHBondContact O-N 3.37Å; Q210-I212 PolarHBondContact O-N 2.91Å; Q210-I212 VanDerWaalsContact O-N 3.15Å; I212-Y214 VanDerWaalsContact C-N 3.33Å; I212-Y214 PolarHBondContact O-N 2.86Å; I212-R215 WeakPolarHBondContact O-CB 3.34Å; I212-R215 PolarHBondContact O-N 2.97Å; I212-R215 VanDerWaalsContact O-N 3.16Å; I212-V216 HydrophobicContact CG2-CG2 4.16Å; I212-V216 WeakPolarHBondContact O-CB 3.47Å; I212-V216 WeakPolarHBondContact O-CG2 3.43Å; I212-V216 PolarHBondContact O-N 3.48Å; I212-W268 HydrophobicContact CG2-CH2 4.38Å
213L87.3Confident87.6Confident22 Ų2210.6 Ų10.612%0.1155%0.051CC..Hα-helixtrans-62.8-42.5178.5-54.6-174.1000110.9F190 V201 F205 Q210 R215 V216 A217F190-L213 HydrophobicContact CE1-CD1 4.03Å; V201-L213 HydrophobicContact CG1-CD2 3.84Å; F205-L213 HydrophobicContact CD2-CD1 4.04Å; F205-L213 HydrophobicContact CD2-CD2 4.07Å; F205-L213 HydrophobicContact CD2-CG 3.89Å; F205-L213 HydrophobicContact CE2-CD1 3.85Å; F205-L213 HydrophobicContact CE2-CG 4.19Å; Q210-L213 WeakPolarHBondContact O-CB 3.25Å; Q210-L213 PolarHBondContact O-N 3.13Å; L213-R215 PolarHBondContact O-N 2.7Å; L213-V216 PolarHBondContact O-N 2.89Å; L213-A217 VanDerWaalsContact O-CB 3.31Å; L213-A217 WeakPolarHBondContact O-CB 3.29Å; L213-A217 PolarHBondContact O-N 3.4Å
214Y88.8Confident87.4Confident14 Ų1410.7 Ų10.76%0.0555%0.052CC..Hα-helixtrans-61.7-42.6172.9-70.2-65.7000113.1A151 T154 L155 L158 Q210 I212 A217 I218 I279 Q283A151-Y214 WeakPolarHBondContact CA-OH 3Å; A151-Y214 WeakPolarHBondContact CB-OH 3.21Å; T154-Y214 HydrophobicContact CG2-CE1 3.7Å; T154-Y214 HydrophobicContact CG2-CE2 4.37Å; T154-Y214 WeakPolarHBondContact CG2-OH 3.08Å; L155-Y214 HydrophobicContact CB-CD1 4.17Å; L155-Y214 HydrophobicContact CB-CE1 4.1Å; L155-Y214 HydrophobicContact CD1-CD1 4.19Å; L158-Y214 HydrophobicContact CD1-CD1 3.75Å; L158-Y214 HydrophobicContact CD1-CE1 4.36Å; L158-Y214 HydrophobicContact CD1-CG 3.92Å; Q210-Y214 HydrophobicContact CB-CE2 4.38Å; Q210-Y214 VanDerWaalsContact O-CD2 3.26Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.46Å; Q210-Y214 PolarHBondContact O-N 3.16Å; I212-Y214 VanDerWaalsContact C-N 3.33Å; I212-Y214 PolarHBondContact O-N 2.86Å; Y214-A217 PolarHBondContact O-N 2.93Å; Y214-I218 VanDerWaalsContact O-CG1 3.27Å; Y214-I218 WeakPolarHBondContact O-CG1 3.31Å; Y214-I218 PolarHBondContact O-N 2.82Å; Y214-I279 HydrophobicContact CD2-CD1 4.1Å; Y214-I279 HydrophobicContact CD2-CG2 3.88Å; Y214-I279 HydrophobicContact CE2-CG2 3.53Å; Y214-Q283 PolarHBondContact OH-OE1 3.39Å
215R87.3Confident87.3Confident32 Ų3212.2 Ų12.212%0.1216%0.059CC..Hα-helixtrans-60.6-52.6177.3-74.4165.6-178.3-96.8-8.5110.4K211 I212 L213 A217 I218 S219 F272 L274K211-R215 VanDerWaalsContact O-CG 3.32Å; K211-R215 WeakPolarHBondContact O-CG 3.41Å; K211-R215 PolarHBondContact O-N 2.86Å; K211-R215 VanDerWaalsContact O-N 3.13Å; I212-R215 WeakPolarHBondContact O-CB 3.34Å; I212-R215 PolarHBondContact O-N 2.97Å; I212-R215 VanDerWaalsContact O-N 3.16Å; L213-R215 PolarHBondContact O-N 2.7Å; R215-A217 VanDerWaalsContact C-N 3.34Å; R215-A217 PolarHBondContact O-N 2.7Å; R215-I218 PolarHBondContact O-N 2.73Å; R215-S219 WeakPolarHBondContact O-CB 3.27Å; R215-S219 PolarHBondContact O-N 3.06Å; R215-S219 PolarHBondContact O-OG 3.45Å; R215-F272 PolarHBondContact NH1-O 3Å; R215-F272 PolarHBondContact NH2-O 3.26Å; R215-L274 HydrophobicContact CG-CD1 3.6Å; R215-L274 HydrophobicContact CG-CG 4.01Å; R215-L274 PolarHBondContact NH2-O 3.3Å
216V85.9Confident87Confident16 Ų1619.3 Ų19.310%0.0979%0.085CC..Hα-helixtrans-58.3-45.5179.7168.30000111.2F197 V201 I212 L213 I218 S219 I220F197-V216 HydrophobicContact CE1-CG1 4.03Å; F197-V216 HydrophobicContact CZ-CG1 3.67Å; V201-V216 HydrophobicContact CG1-CG2 4.47Å; V201-V216 HydrophobicContact CG2-CG1 4.38Å; V201-V216 HydrophobicContact CG2-CG2 4.03Å; I212-V216 HydrophobicContact CG2-CG2 4.16Å; I212-V216 WeakPolarHBondContact O-CB 3.47Å; I212-V216 WeakPolarHBondContact O-CG2 3.43Å; I212-V216 PolarHBondContact O-N 3.48Å; L213-V216 PolarHBondContact O-N 2.89Å; V216-I218 PolarHBondContact O-N 2.9Å; V216-S219 WeakPolarHBondContact O-CB 3.22Å; V216-S219 PolarHBondContact O-N 3.49Å; V216-I220 HydrophobicContact CG1-CD1 3.6Å; V216-I220 HydrophobicContact CG1-CG1 4.35Å; V216-I220 WeakPolarHBondContact O-CB 3.49Å; V216-I220 VanDerWaalsContact O-CG1 3.26Å; V216-I220 WeakPolarHBondContact O-CG1 3.34Å; V216-I220 PolarHBondContact O-N 3.4Å
217A87.6Confident86.5Confident4 Ų424.2 Ų24.23%0.03311%0.108CC..Hα-helixtrans-59.7-46.7178.100000112.1L155 L188 L213 Y214 R215 I220 L221L155-A217 HydrophobicContact CD1-CB 3.91Å; L155-A217 HydrophobicContact CD2-CB 3.93Å; L188-A217 HydrophobicContact CD2-CB 4.21Å; L213-A217 VanDerWaalsContact O-CB 3.31Å; L213-A217 WeakPolarHBondContact O-CB 3.29Å; L213-A217 PolarHBondContact O-N 3.4Å; Y214-A217 PolarHBondContact O-N 2.93Å; R215-A217 VanDerWaalsContact C-N 3.34Å; R215-A217 PolarHBondContact O-N 2.7Å; A217-I220 PolarHBondContact O-N 3.31Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 VanDerWaalsContact O-CG 3.25Å; A217-L221 WeakPolarHBondContact O-CG 3.38Å; A217-L221 PolarHBondContact O-N 3.43Å
218I88.6Confident86Confident0 Ų025.3 Ų25.30%011%0.113CC..Hα-helixtrans-63.5-43176.8-66167.3000110.7L155 L158 L159 Y214 R215 V216 I220 L221 V222 F272 L274L155-I218 HydrophobicContact CD1-CG1 3.85Å; L158-I218 HydrophobicContact CB-CD1 3.89Å; L159-I218 HydrophobicContact CD1-CG1 4.49Å; Y214-I218 VanDerWaalsContact O-CG1 3.27Å; Y214-I218 WeakPolarHBondContact O-CG1 3.31Å; Y214-I218 PolarHBondContact O-N 2.82Å; R215-I218 PolarHBondContact O-N 2.73Å; V216-I218 PolarHBondContact O-N 2.9Å; I218-I220 PolarHBondContact O-N 2.9Å; I218-L221 PolarHBondContact O-N 2.9Å; I218-V222 HydrophobicContact CG2-CG2 4.3Å; I218-V222 VanDerWaalsContact O-CG2 3.3Å; I218-V222 WeakPolarHBondContact O-CG2 3.35Å; I218-V222 PolarHBondContact O-N 3.39Å; I218-F272 HydrophobicContact CB-CD2 4.33Å; I218-F272 HydrophobicContact CB-CE2 4.42Å; I218-F272 HydrophobicContact CG2-CD2 3.86Å; I218-F272 HydrophobicContact CG2-CE1 4.44Å; I218-F272 HydrophobicContact CG2-CE2 3.75Å; I218-F272 HydrophobicContact CG2-CG 4.24Å; I218-F272 HydrophobicContact CG2-CZ 4.07Å; I218-L274 HydrophobicContact CD1-CD1 4.12Å; I218-L274 HydrophobicContact CD1-CD2 4.24Å
219S86.7Confident85.1Confident3 Ų325.4 Ų25.42%0.02112%0.117CC..Hα-helixtrans-58.2-47.8177-58.60000112.8R215 V216 L221 V222 L223 P267 T270 F272R215-S219 WeakPolarHBondContact O-CB 3.27Å; R215-S219 PolarHBondContact O-N 3.06Å; R215-S219 PolarHBondContact O-OG 3.45Å; V216-S219 WeakPolarHBondContact O-CB 3.22Å; V216-S219 PolarHBondContact O-N 3.49Å; S219-L221 VanDerWaalsContact C-N 3.34Å; S219-L221 PolarHBondContact O-N 3.25Å; S219-V222 PolarHBondContact O-N 3.47Å; S219-L223 WeakPolarHBondContact O-CG 3.43Å; S219-L223 PolarHBondContact O-N 3.43Å; S219-P267 PolarHBondContact OG-O 2.89Å; S219-T270 WeakPolarHBondContact CB-OG1 3.36Å; S219-T270 PolarHBondContact OG-OG1 3.09Å; S219-F272 WeakPolarHBondContact OG-CE2 3.32Å
220I84.9Confident84.1Confident2 Ų230.2 Ų30.21%0.0114%0.142CC..Hα-helixtrans-59.1-48176.9-72.3165.7000110.2L188 I191 C192 V216 A217 I218 V222 L223 W224 F259 C260 M263 P267L188-I220 HydrophobicContact CD2-CG2 4.28Å; I191-I220 HydrophobicContact CG2-CD1 3.59Å; I191-I220 HydrophobicContact CG2-CG2 4.17Å; C192-I220 WeakPolarHBondContact SG-CD1 2.97Å; V216-I220 HydrophobicContact CG1-CD1 3.6Å; V216-I220 HydrophobicContact CG1-CG1 4.35Å; V216-I220 WeakPolarHBondContact O-CB 3.49Å; V216-I220 VanDerWaalsContact O-CG1 3.26Å; V216-I220 WeakPolarHBondContact O-CG1 3.34Å; V216-I220 PolarHBondContact O-N 3.4Å; A217-I220 PolarHBondContact O-N 3.31Å; I218-I220 PolarHBondContact O-N 2.9Å; I220-V222 VanDerWaalsContact C-N 3.33Å; I220-V222 PolarHBondContact O-N 3.26Å; I220-L223 PolarHBondContact O-N 2.9Å; I220-W224 VanDerWaalsContact O-CB 3.27Å; I220-W224 WeakPolarHBondContact O-CB 3.44Å; I220-W224 PolarHBondContact O-N 2.88Å; I220-F259 HydrophobicContact CG2-CD1 4.46Å; I220-F259 HydrophobicContact CG2-CE1 4.38Å; I220-C260 WeakPolarHBondContact CG2-SG 3.26Å; I220-M263 HydrophobicContact CG1-CE 4.45Å; I220-P267 HydrophobicContact CG1-CG 4.43Å
221L87.3Confident83Confident0 Ų035.5 Ų35.50%016%0.162CC..Hα-helixtrans-63.7-36.5179.8-73.1169.8000112.9L159 V165 I169 F185 L188 A217 I218 S219 W224 Q225 I256L159-L221 HydrophobicContact CD1-CB 4.29Å; L159-L221 HydrophobicContact CD1-CD1 3.77Å; L159-L221 HydrophobicContact CD2-CD1 3.85Å; L159-L221 HydrophobicContact CG-CD1 4.45Å; V165-L221 HydrophobicContact CG1-CB 3.88Å; I169-L221 HydrophobicContact CD1-CD2 4.28Å; F185-L221 HydrophobicContact CD1-CD1 4.45Å; F185-L221 HydrophobicContact CE1-CD1 3.75Å; L188-L221 HydrophobicContact CD1-CD1 4.05Å; L188-L221 HydrophobicContact CD1-CD2 3.58Å; L188-L221 HydrophobicContact CD1-CG 3.95Å; L188-L221 HydrophobicContact CD2-CD2 4.48Å; L188-L221 HydrophobicContact CD2-CG 4.18Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 VanDerWaalsContact O-CG 3.25Å; A217-L221 WeakPolarHBondContact O-CG 3.38Å; A217-L221 PolarHBondContact O-N 3.43Å; I218-L221 PolarHBondContact O-N 2.9Å; S219-L221 VanDerWaalsContact C-N 3.34Å; S219-L221 PolarHBondContact O-N 3.25Å; L221-W224 HydrophobicContact CD2-CE3 4.49Å; L221-Q225 VanDerWaalsContact O-CB 3.27Å; L221-Q225 WeakPolarHBondContact O-CB 3.35Å; L221-Q225 PolarHBondContact O-N 2.9Å; L221-I256 HydrophobicContact CD2-CD1 3.95Å
222V87.7Confident81.8Confident13 Ų1335.2 Ų35.28%0.07916%0.162CC..Hα-helixtrans-67.8-42.9174.9168.60000111.2V165 I218 S219 I220 Q225 R226 F272V165-V222 HydrophobicContact CG2-CB 4.35Å; V165-V222 HydrophobicContact CG2-CG2 3.71Å; I218-V222 HydrophobicContact CG2-CG2 4.3Å; I218-V222 VanDerWaalsContact O-CG2 3.3Å; I218-V222 WeakPolarHBondContact O-CG2 3.35Å; I218-V222 PolarHBondContact O-N 3.39Å; S219-V222 PolarHBondContact O-N 3.47Å; I220-V222 VanDerWaalsContact C-N 3.33Å; I220-V222 PolarHBondContact O-N 3.26Å; V222-Q225 PolarHBondContact O-N 3.44Å; V222-R226 WeakPolarHBondContact O-CG 3.17Å; V222-R226 PolarHBondContact O-N 3.26Å; V222-F272 HydrophobicContact CB-CZ 4.34Å; V222-F272 HydrophobicContact CG1-CZ 4.5Å; V222-F272 HydrophobicContact CG2-CZ 3.87Å
223L85.2Confident80.7Confident22 Ų2241.7 Ų41.712%0.11519%0.192CC..Hα-helixtrans-66.1-44.8177-68.4172.5000111.2S219 I220 Q225 R226 E227 F259 M263 F265S219-L223 WeakPolarHBondContact O-CG 3.43Å; S219-L223 PolarHBondContact O-N 3.43Å; I220-L223 PolarHBondContact O-N 2.9Å; L223-Q225 VanDerWaalsContact C-N 3.33Å; L223-Q225 PolarHBondContact O-N 3.14Å; L223-R226 WeakPolarHBondContact O-CB 3.21Å; L223-R226 PolarHBondContact O-N 3.12Å; L223-R226 VanDerWaalsContact O-N 3.12Å; L223-E227 PolarHBondContact O-N 2.87Å; L223-E227 VanDerWaalsContact O-N 3.11Å; L223-F259 HydrophobicContact CB-CE1 4.15Å; L223-F259 HydrophobicContact CB-CZ 3.74Å; L223-M263 HydrophobicContact CD1-SD 3.66Å; L223-F265 HydrophobicContact CD1-CB 4.31Å
224W85.7Confident79.3Confident2 Ų244.6 Ų44.61%0.00821%0.207CC..Hα-helixtrans-56.6-46.3173.6169.879.8000111.6L168 I169 L172 I220 L221 R226 E227 K228 T252 I256 F259L168-W224 HydrophobicContact CD2-CE3 4.38Å; L168-W224 HydrophobicContact CD2-CH2 3.96Å; L168-W224 HydrophobicContact CD2-CZ3 3.77Å; L168-W224 HydrophobicContact CG-CH2 4.23Å; L168-W224 HydrophobicContact CG-CZ3 4.27Å; I169-W224 HydrophobicContact CG1-CH2 4.26Å; I169-W224 HydrophobicContact CG1-CZ3 3.93Å; L172-W224 HydrophobicContact CD1-CH2 3.64Å; L172-W224 HydrophobicContact CD1-CZ2 3.98Å; I220-W224 VanDerWaalsContact O-CB 3.27Å; I220-W224 WeakPolarHBondContact O-CB 3.44Å; I220-W224 PolarHBondContact O-N 2.88Å; L221-W224 HydrophobicContact CD2-CE3 4.49Å; W224-R226 VanDerWaalsContact C-N 3.29Å; W224-R226 PolarHBondContact O-N 2.97Å; W224-E227 PolarHBondContact O-N 2.77Å; W224-K228 HydrophobicContact CD2-CG 4.35Å; W224-K228 HydrophobicContact CG-CG 4.41Å; W224-K228 HydrophobicContact CZ2-CG 4.24Å; W224-K228 WeakPolarHBondContact O-CB 3.49Å; W224-K228 PolarHBondContact O-N 3.27Å; W224-T252 HydrophobicContact CH2-CG2 4.16Å; W224-T252 HydrophobicContact CZ2-CG2 4.17Å; W224-I256 HydrophobicContact CD2-CD1 4.37Å; W224-I256 HydrophobicContact CD2-CG1 3.72Å; W224-I256 HydrophobicContact CE3-CD1 4.5Å; W224-I256 HydrophobicContact CE3-CG1 4.31Å; W224-I256 HydrophobicContact CG-CG1 4.05Å; W224-I256 HydrophobicContact CH2-CD1 4.22Å; W224-I256 HydrophobicContact CH2-CG1 4.28Å; W224-I256 HydrophobicContact CZ2-CD1 4.1Å; W224-I256 HydrophobicContact CZ2-CG1 3.7Å; W224-I256 HydrophobicContact CZ3-CD1 4.43Å; W224-F259 HydrophobicContact CB-CD1 3.67Å; W224-F259 HydrophobicContact CB-CE1 3.77Å; W224-F259 HydrophobicContact CB-CG 4.11Å; W224-F259 HydrophobicContact CB-CZ 4.29Å; W224-F259 AromaticContact CD1-CG 3.85Å; W224-F259 HydrophobicContact CG-CD1 4.33Å; W224-F259 HydrophobicContact CG-CG 4.41Å
225Q86.8Confident77.7Confident33 Ų3346.6 Ų46.615%0.15422%0.218CC..Hα-helixtrans-61.3-37.5177.1179.5-82.4-57.800112V165 L168 L221 V222 L223 G229V165-Q225 HydrophobicContact CB-CB 4.39Å; V165-Q225 HydrophobicContact CB-CG 4.42Å; V165-Q225 HydrophobicContact CG1-CB 4.33Å; V165-Q225 HydrophobicContact CG2-CB 3.82Å; V165-Q225 HydrophobicContact CG2-CG 3.99Å; L168-Q225 HydrophobicContact CB-CG 4.46Å; L168-Q225 HydrophobicContact CD2-CB 4.15Å; L168-Q225 HydrophobicContact CD2-CG 3.79Å; L221-Q225 VanDerWaalsContact O-CB 3.27Å; L221-Q225 WeakPolarHBondContact O-CB 3.35Å; L221-Q225 PolarHBondContact O-N 2.9Å; V222-Q225 PolarHBondContact O-N 3.44Å; L223-Q225 VanDerWaalsContact C-N 3.33Å; L223-Q225 PolarHBondContact O-N 3.14Å; Q225-G229 VanDerWaalsContact O-CA 3.28Å; Q225-G229 WeakPolarHBondContact O-CA 3.25Å; Q225-G229 PolarHBondContact O-N 2.64Å
226R84.6Confident76.4Confident152 Ų15249.3 Ų49.357%0.57424%0.235SC*.Hα-helixtrans-65.3-41.1177.6-73.7174.7-179.3-172.2-0.9111.7V222 L223 W224V222-R226 WeakPolarHBondContact O-CG 3.17Å; V222-R226 PolarHBondContact O-N 3.26Å; L223-R226 WeakPolarHBondContact O-CB 3.21Å; L223-R226 PolarHBondContact O-N 3.12Å; L223-R226 VanDerWaalsContact O-N 3.12Å; W224-R226 VanDerWaalsContact C-N 3.29Å; W224-R226 PolarHBondContact O-N 2.97Å
227E79.7Confident75Confident105 Ų10552.4 Ų52.449%0.49126%0.257SS..Hα-helixtrans-71.2-49.8177.5-169174.8119.400111.8L223 W224 F259L223-E227 PolarHBondContact O-N 2.87Å; L223-E227 VanDerWaalsContact O-N 3.11Å; W224-E227 PolarHBondContact O-N 2.77Å; E227-F259 HydrophobicContact CB-CE2 4.24Å; E227-F259 VanDerWaalsContact OE2-CE2 3.26Å; E227-F259 WeakPolarHBondContact OE2-CE2 3.44Å
228K76.5Confident73.5Confident47 Ų4757 Ų5720%0.20428%0.281CS..Hα-helixtrans-71.4-30.8-179.8-74.5-74.9-180167.90113.7L168 W224 I230 Y231 V232 D255L168-K228 HydrophobicContact CD2-CB 4.39Å; W224-K228 HydrophobicContact CD2-CG 4.35Å; W224-K228 HydrophobicContact CG-CG 4.41Å; W224-K228 HydrophobicContact CZ2-CG 4.24Å; W224-K228 WeakPolarHBondContact O-CB 3.49Å; W224-K228 PolarHBondContact O-N 3.27Å; K228-I230 PolarHBondContact O-N 2.83Å; K228-Y231 WeakPolarHBondContact O-CB 3.04Å; K228-Y231 PolarHBondContact O-N 2.96Å; K228-V232 WeakPolarHBondContact O-CG2 3.3Å; K228-V232 PolarHBondContact O-N 3.34Å; K228-D255 IonicContact NZ-OD2 3.09Å; K228-D255 PolarHBondContact NZ-OD2 3.05Å
229G67.8Low71.7Confident13 Ų1366.4 Ų66.413%0.13432%0.322CS..Hα-helixtrans-58.2-36.8179.600000112Q225 Q233Q225-G229 VanDerWaalsContact O-CA 3.28Å; Q225-G229 WeakPolarHBondContact O-CA 3.25Å; Q225-G229 PolarHBondContact O-N 2.64Å; G229-Q233 VanDerWaalsContact O-CG 3.27Å; G229-Q233 WeakPolarHBondContact O-CG 3.32Å; G229-Q233 PolarHBondContact O-N 2.94Å; G229-Q233 VanDerWaalsContact O-N 3.11Å
230I66.7Low70Confident102 Ų10271.1 Ų71.152%0.52335%0.347SS..Hα-helixtrans-64.1-46.6174-61.6167000109.9K228 V232 Q233 I234K228-I230 PolarHBondContact O-N 2.83Å; I230-V232 PolarHBondContact O-N 2.9Å; I230-Q233 PolarHBondContact O-N 3.34Å; I230-I234 HydrophobicContact CG2-CD1 3.97Å; I230-I234 VanDerWaalsContact O-CG1 3.3Å; I230-I234 WeakPolarHBondContact O-CG1 3.38Å; I230-I234 PolarHBondContact O-N 3.23Å; I230-I234 VanDerWaalsContact O-N 3.09Å
231Y63.3Low68.2Low132 Ų13276.7 Ų76.752%0.51838%0.383SS..Hα-helixtrans-64.3-41.7179.8-170.9-104.1000113.2K228 Q233 I234 L235K228-Y231 WeakPolarHBondContact O-CB 3.04Å; K228-Y231 PolarHBondContact O-N 2.96Å; Y231-Q233 VanDerWaalsContact C-N 3.35Å; Y231-I234 PolarHBondContact O-N 3.2Å; Y231-L235 HydrophobicContact CD1-CD1 3.68Å; Y231-L235 HydrophobicContact CD1-CG 4.21Å; Y231-L235 HydrophobicContact CE1-CD1 3.26Å; Y231-L235 HydrophobicContact CE1-CD2 4.46Å; Y231-L235 HydrophobicContact CE1-CG 3.87Å; Y231-L235 PolarHBondContact O-N 3.32Å
232V63.5Low66.5Low22 Ų2282.7 Ų82.713%0.13341%0.414CS..Hα-helixtrans-67.3-36177.7174.30000111.5L168 K228 I230 I234 L235 N236L168-V232 HydrophobicContact CD1-CG2 4.16Å; K228-V232 WeakPolarHBondContact O-CG2 3.3Å; K228-V232 PolarHBondContact O-N 3.34Å; I230-V232 PolarHBondContact O-N 2.9Å; V232-I234 VanDerWaalsContact C-N 3.34Å; V232-L235 PolarHBondContact O-N 3.34Å; V232-N236 WeakPolarHBondContact O-CB 3.27Å; V232-N236 PolarHBondContact O-N 3.22Å
233Q62.2Low64.9Low140 Ų14084.9 Ų84.965%0.65443%0.43SS*.Hα-helixtrans-62.7-42.2172.8-75.5172.3-12.400111.5G229 I230 Y231 S237G229-Q233 VanDerWaalsContact O-CG 3.27Å; G229-Q233 WeakPolarHBondContact O-CG 3.32Å; G229-Q233 PolarHBondContact O-N 2.94Å; G229-Q233 VanDerWaalsContact O-N 3.11Å; I230-Q233 PolarHBondContact O-N 3.34Å; Y231-Q233 VanDerWaalsContact C-N 3.35Å; Q233-S237 PolarHBondContact O-N 2.82Å
234I57.5Low63.3Low83 Ų8387 Ų8743%0.42645%0.446SS..Hα-helixtrans-64.6-46.6176.6-66.3164.2000111I230 Y231 V232 N236 S237 L238I230-I234 HydrophobicContact CG2-CD1 3.97Å; I230-I234 VanDerWaalsContact O-CG1 3.3Å; I230-I234 WeakPolarHBondContact O-CG1 3.38Å; I230-I234 PolarHBondContact O-N 3.23Å; I230-I234 VanDerWaalsContact O-N 3.09Å; Y231-I234 PolarHBondContact O-N 3.2Å; V232-I234 VanDerWaalsContact C-N 3.34Å; I234-N236 PolarHBondContact O-N 3.14Å; I234-S237 PolarHBondContact O-N 3.5Å; I234-S237 VanDerWaalsContact O-N 3.12Å; I234-S237 PolarHBondContact O-OG 2.99Å; I234-L238 HydrophobicContact CG2-CD1 3.89Å; I234-L238 WeakPolarHBondContact O-CG 3.44Å; I234-L238 PolarHBondContact O-N 3.32Å
235L56.4Low61.6Low55 Ų5589.6 Ų89.629%0.28847%0.468SS..Hα-helixtrans-61.9-41.7178.3-77.6176.9000112.9Y231 V232 S237 L238 L240Y231-L235 HydrophobicContact CD1-CD1 3.68Å; Y231-L235 HydrophobicContact CD1-CG 4.21Å; Y231-L235 HydrophobicContact CE1-CD1 3.26Å; Y231-L235 HydrophobicContact CE1-CD2 4.46Å; Y231-L235 HydrophobicContact CE1-CG 3.87Å; Y231-L235 PolarHBondContact O-N 3.32Å; V232-L235 PolarHBondContact O-N 3.34Å; L235-S237 PolarHBondContact O-N 3.31Å; L235-L238 PolarHBondContact O-N 2.92Å; L235-L238 VanDerWaalsContact O-N 3.1Å; L235-L240 HydrophobicContact CD2-CD1 3.87Å
236N60Low59.8Low89 Ų8995.5 Ų95.548%0.47649%0.494SS..Hα-helixtrans-62.5-31.2175.8-77.6-7.5000112.3V232 I234 L238V232-N236 WeakPolarHBondContact O-CB 3.27Å; V232-N236 PolarHBondContact O-N 3.22Å; I234-N236 PolarHBondContact O-N 3.14Å; N236-L238 VanDerWaalsContact C-N 3.29Å
237S57.4Low58.4Low81 Ų8194 Ų9457%0.56649%0.493SS*.Hα-helixtrans-74.2-18.1176.1720000114Q233 I234 L235Q233-S237 PolarHBondContact O-N 2.82Å; I234-S237 PolarHBondContact O-N 3.5Å; I234-S237 VanDerWaalsContact O-N 3.12Å; I234-S237 PolarHBondContact O-OG 2.99Å; L235-S237 PolarHBondContact O-N 3.31Å
238L54.4Low57.2Low102 Ų10290.6 Ų90.653%0.53448%0.478SS..THydrogen-bonded Turntrans-993-175.7-69.7166.7000114I234 L235 N236 L240I234-L238 HydrophobicContact CG2-CD1 3.89Å; I234-L238 WeakPolarHBondContact O-CG 3.44Å; I234-L238 PolarHBondContact O-N 3.32Å; L235-L238 PolarHBondContact O-N 2.92Å; L235-L238 VanDerWaalsContact O-N 3.1Å; N236-L238 VanDerWaalsContact C-N 3.29Å; L238-L240 HydrophobicContact CB-CD1 4.12Å; L238-L240 HydrophobicContact CB-CG 4.09Å; L238-L240 HydrophobicContact CD1-CD1 4.43Å; L238-L240 PolarHBondContact O-N 3.47Å
239F51.6Low56.5Low197 Ų19792.7 Ų92.786%0.86449%0.485SS*.THydrogen-bonded Turntrans49.127.7-177.9-67.1-84.7000114.8
240L50.2Low56.2Low101 Ų10198 Ų9853%0.52951%0.51SS..PPolyproline II helixtrans-73.6134.9180-71.3170000110L235 L238 I242L235-L240 HydrophobicContact CD2-CD1 3.87Å; L238-L240 HydrophobicContact CB-CD1 4.12Å; L238-L240 HydrophobicContact CB-CG 4.09Å; L238-L240 HydrophobicContact CD1-CD1 4.43Å; L238-L240 PolarHBondContact O-N 3.47Å; L240-I242 PolarHBondContact O-N 3.33Å
241P48.4Very low56.4Low119 Ų11998.8 Ų98.877%0.77351%0.51SS*.PPolyproline II helixtrans-60.8122.3179.722.6-30.4000109.6S243P241-S243 PolarHBondContact O-N 3.37Å
242I52.1Low57Low127 Ų12792.7 Ų92.765%0.65149%0.486SS*.PPolyproline II helixtrans-64.5124.4173.5-56.5171.1000106.3L240 L248L240-I242 PolarHBondContact O-N 3.33Å; I242-L248 HydrophobicContact CG2-CD1 3.79Å; I242-L248 HydrophobicContact CG2-CD2 4Å
243S53.2Low57.6Low58 Ų5892.2 Ų92.241%0.40648%0.484SS..PPolyproline II helixtrans-47.6155.2174.7-35.60000110.6P241 A245P241-S243 PolarHBondContact O-N 3.37Å; S243-A245 PolarHBondContact O-N 3.41Å
244S50.5Low58.3Low66 Ų6689.1 Ų89.146%0.46248%0.478SS..PPolyproline II helixtrans-49142.9-178.668.90000111.6K246 E247 L248S244-K246 PolarHBondContact O-N 2.87Å; S244-E247 PolarHBondContact N-OE2 3.03Å; S244-E247 PolarHBondContact O-N 3.49Å; S244-E247 WeakPolarHBondContact OG-CG 3.45Å; S244-E247 PolarHBondContact OG-OE2 2.9Å; S244-L248 PolarHBondContact O-N 3.15Å
245A50.7Low59.4Low58 Ų5887.2 Ų87.248%0.47947%0.469SS..Hα-helixtrans-55.5-22.6-173.800000113.8S243 R249S243-A245 PolarHBondContact O-N 3.41Å; A245-R249 WeakPolarHBondContact O-CD 3.24Å; A245-R249 WeakPolarHBondContact O-CG 3.46Å; A245-R249 PolarHBondContact O-NE 2.81Å
246K50.1Low60.5Low157 Ų15784.6 Ų84.668%0.68346%0.455SS*.Hα-helixtrans-74.1-42.4176.1-167.6178.9178.9-175.30112.6S244 L248 R249S244-K246 PolarHBondContact O-N 2.87Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-R249 PolarHBondContact O-N 2.73Å
247E53.7Low61.4Low121 Ų12182 Ų8257%0.56544%0.444SS*.Hα-helixtrans-67.7-35.7178.6-71.1167.4143.600111.9S244 R249 K251S244-E247 PolarHBondContact N-OE2 3.03Å; S244-E247 PolarHBondContact O-N 3.49Å; S244-E247 WeakPolarHBondContact OG-CG 3.45Å; S244-E247 PolarHBondContact OG-OE2 2.9Å; E247-R249 VanDerWaalsContact C-N 3.3Å; E247-R249 PolarHBondContact O-N 2.81Å; E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 PolarHBondContact O-N 3.49Å
248L55.8Low62.4Low32 Ų3280.7 Ų80.717%0.16844%0.438CS..Hα-helixtrans-64.4-34.7177.2-128.984.4000112.5L172 I242 S244 K246 T252L172-L248 HydrophobicContact CD2-CD2 3.83Å; L172-L248 WeakPolarHBondContact O-CD2 3.46Å; I242-L248 HydrophobicContact CG2-CD1 3.79Å; I242-L248 HydrophobicContact CG2-CD2 4Å; S244-L248 PolarHBondContact O-N 3.15Å; K246-L248 VanDerWaalsContact C-N 3.34Å; L248-T252 PolarHBondContact O-N 3Å; L248-T252 PolarHBondContact O-OG1 2.84Å
249R60.4Low63.8Low92 Ų9276.2 Ų76.235%0.34741%0.414SS..Hα-helixtrans-64.5-53.5-177.2-75.2166.1-174.7176.45.4112.6M173 A245 K246 E247 K251 T252M173-R249 HydrophobicContact CE-CB 4.17Å; M173-R249 HydrophobicContact CE-CG 4.03Å; M173-R249 WeakPolarHBondContact O-CG 3.47Å; M173-R249 PolarHBondContact O-NE 3.44Å; M173-R249 HydrophobicContact SD-CB 4.34Å; M173-R249 HydrophobicContact SD-CG 4.26Å; A245-R249 WeakPolarHBondContact O-CD 3.24Å; A245-R249 WeakPolarHBondContact O-CG 3.46Å; A245-R249 PolarHBondContact O-NE 2.81Å; K246-R249 PolarHBondContact O-N 2.73Å; E247-R249 VanDerWaalsContact C-N 3.3Å; E247-R249 PolarHBondContact O-N 2.81Å; R249-K251 VanDerWaalsContact C-N 3.33Å; R249-T252 PolarHBondContact O-N 2.76Å
250D62.5Low65Low124 Ų12467 Ų6766%0.66337%0.374SS*.Hα-helixtrans-71.8-32.8-178.4-68.5-26.6000111.4T252 S254D250-T252 VanDerWaalsContact C-N 3.33Å; D250-T252 PolarHBondContact O-N 2.81Å; D250-S254 PolarHBondContact O-N 2.93Å
251K71Confident66.2Low119 Ų11965.2 Ų65.252%0.51737%0.37SS..Hα-helixtrans-64.1-35.1175.4-169167.7-175.2174.50112.6E247 R249 A253 S254 D255E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 PolarHBondContact O-N 3.49Å; R249-K251 VanDerWaalsContact C-N 3.33Å; K251-A253 PolarHBondContact O-N 2.93Å; K251-S254 PolarHBondContact O-N 2.87Å; K251-D255 WeakPolarHBondContact O-CB 3.46Å; K251-D255 VanDerWaalsContact O-CG 3.26Å; K251-D255 PolarHBondContact O-N 2.85Å
252T75.9Confident67.6Low4 Ų464 Ų643%0.02536%0.361CS..Hα-helixtrans-63.3-44.1-178.1-60.30000112.6L172 V184 W224 L248 R249 D250 D255 I256L172-T252 HydrophobicContact CB-CG2 4.3Å; L172-T252 HydrophobicContact CD1-CG2 4.12Å; V184-T252 HydrophobicContact CG1-CG2 4.39Å; V184-T252 HydrophobicContact CG2-CG2 4.37Å; W224-T252 HydrophobicContact CH2-CG2 4.16Å; W224-T252 HydrophobicContact CZ2-CG2 4.17Å; L248-T252 PolarHBondContact O-N 3Å; L248-T252 PolarHBondContact O-OG1 2.84Å; R249-T252 PolarHBondContact O-N 2.76Å; D250-T252 VanDerWaalsContact C-N 3.33Å; D250-T252 PolarHBondContact O-N 2.81Å; T252-D255 PolarHBondContact O-N 2.98Å; T252-I256 HydrophobicContact CG2-CD1 4.32Å; T252-I256 WeakPolarHBondContact O-CG1 3.07Å; T252-I256 PolarHBondContact O-N 3.21Å; T252-I256 VanDerWaalsContact O-N 3.08Å
253A75.7Confident68.7Low12 Ų1259.4 Ų59.410%0.09934%0.337CS..Hα-helixtrans-66.3-41.3177.700000111.7Y187 K251 I256 S257Y187-A253 HydrophobicContact CD2-CB 4.23Å; Y187-A253 HydrophobicContact CE2-CB 4.17Å; K251-A253 PolarHBondContact O-N 2.93Å; A253-I256 PolarHBondContact O-N 3.18Å; A253-S257 PolarHBondContact O-N 3.38Å; A253-S257 VanDerWaalsContact O-N 3.09Å
254S76.9Confident69.3Low74 Ų7466.1 Ų66.152%0.51736%0.359SS..Hα-helixtrans-64-43.1175.2-169.50000112D250 K251 I256 S257 A258D250-S254 PolarHBondContact O-N 2.93Å; K251-S254 PolarHBondContact O-N 2.87Å; S254-I256 PolarHBondContact O-N 3.15Å; S254-S257 CarbonylContact O-C 3.58Å; S254-S257 WeakPolarHBondContact O-CB 3.08Å; S254-S257 PolarHBondContact O-N 3.49Å; S254-S257 VanDerWaalsContact O-N 3.12Å; S254-A258 WeakPolarHBondContact O-CB 3.39Å; S254-A258 PolarHBondContact O-N 3.23Å
255D80Confident69.8Low43 Ų4369.7 Ų69.723%0.2337%0.366CS..Hα-helixtrans-60.7-42.3177.9-86.812.1000112K228 K251 T252 A258 F259K228-D255 IonicContact NZ-OD2 3.09Å; K228-D255 PolarHBondContact NZ-OD2 3.05Å; K251-D255 WeakPolarHBondContact O-CB 3.46Å; K251-D255 VanDerWaalsContact O-CG 3.26Å; K251-D255 PolarHBondContact O-N 2.85Å; T252-D255 PolarHBondContact O-N 2.98Å; D255-A258 PolarHBondContact O-N 2.97Å; D255-F259 WeakPolarHBondContact O-CB 3.23Å; D255-F259 PolarHBondContact O-N 2.99Å
256I80.6Confident70.4Confident0 Ų069.8 Ų69.80%036%0.363CS..Hα-helixtrans-64.4-45.2174.2-67.4164.9000109.8V184 L188 I191 L221 W224 T252 A253 S254 A258 F259 C260V184-I256 HydrophobicContact CG1-CD1 3.21Å; L188-I256 HydrophobicContact CD1-CG2 4.28Å; I191-I256 HydrophobicContact CD1-CG2 3.77Å; L221-I256 HydrophobicContact CD2-CD1 3.95Å; W224-I256 HydrophobicContact CD2-CD1 4.37Å; W224-I256 HydrophobicContact CD2-CG1 3.72Å; W224-I256 HydrophobicContact CE3-CD1 4.5Å; W224-I256 HydrophobicContact CE3-CG1 4.31Å; W224-I256 HydrophobicContact CG-CG1 4.05Å; W224-I256 HydrophobicContact CH2-CD1 4.22Å; W224-I256 HydrophobicContact CH2-CG1 4.28Å; W224-I256 HydrophobicContact CZ2-CD1 4.1Å; W224-I256 HydrophobicContact CZ2-CG1 3.7Å; W224-I256 HydrophobicContact CZ3-CD1 4.43Å; T252-I256 HydrophobicContact CG2-CD1 4.32Å; T252-I256 WeakPolarHBondContact O-CG1 3.07Å; T252-I256 PolarHBondContact O-N 3.21Å; T252-I256 VanDerWaalsContact O-N 3.08Å; A253-I256 PolarHBondContact O-N 3.18Å; S254-I256 PolarHBondContact O-N 3.15Å; I256-A258 VanDerWaalsContact C-N 3.3Å; I256-A258 PolarHBondContact O-N 3Å; I256-F259 WeakPolarHBondContact O-CB 3.42Å; I256-F259 PolarHBondContact O-N 3.18Å; I256-C260 PolarHBondContact O-N 3.29Å; I256-C260 PolarHBondContact O-SG 3.19Å
257S78Confident70.8Confident35 Ų3562.5 Ų62.525%0.24533%0.332CS..Hα-helixtrans-59.6-40.6177.5-170.90000112.3A253 S254 C260 S261A253-S257 PolarHBondContact O-N 3.38Å; A253-S257 VanDerWaalsContact O-N 3.09Å; S254-S257 CarbonylContact O-C 3.58Å; S254-S257 WeakPolarHBondContact O-CB 3.08Å; S254-S257 PolarHBondContact O-N 3.49Å; S254-S257 VanDerWaalsContact O-N 3.12Å; S257-C260 PolarHBondContact O-N 3.41Å; S257-S261 PolarHBondContact O-N 3.05Å; S257-S261 PolarHBondContact O-OG 3.19Å
258A79.5Confident71.2Confident53 Ų5359.8 Ų59.844%0.43832%0.316SS..Hα-helixtrans-64-46.6175.500000111.3S254 D255 I256 C260 S261 T262S254-A258 WeakPolarHBondContact O-CB 3.39Å; S254-A258 PolarHBondContact O-N 3.23Å; D255-A258 PolarHBondContact O-N 2.97Å; I256-A258 VanDerWaalsContact C-N 3.3Å; I256-A258 PolarHBondContact O-N 3Å; A258-C260 VanDerWaalsContact C-N 3.27Å; A258-C260 PolarHBondContact O-N 2.77Å; A258-S261 WeakPolarHBondContact O-CB 3.24Å; A258-S261 PolarHBondContact O-N 2.83Å; A258-T262 PolarHBondContact O-N 2.56Å; A258-T262 PolarHBondContact O-OG1 3.49Å
259F82.7Confident71Confident9 Ų962.8 Ų62.84%0.03934%0.34CS..Hα-helixtrans-56.6-41174.6170.4-96.1000112.2I220 L223 W224 E227 D255 I256 S261 T262 M263I220-F259 HydrophobicContact CG2-CD1 4.46Å; I220-F259 HydrophobicContact CG2-CE1 4.38Å; L223-F259 HydrophobicContact CB-CE1 4.15Å; L223-F259 HydrophobicContact CB-CZ 3.74Å; W224-F259 HydrophobicContact CB-CD1 3.67Å; W224-F259 HydrophobicContact CB-CE1 3.77Å; W224-F259 HydrophobicContact CB-CG 4.11Å; W224-F259 HydrophobicContact CB-CZ 4.29Å; W224-F259 AromaticContact CD1-CG 3.85Å; W224-F259 HydrophobicContact CG-CD1 4.33Å; W224-F259 HydrophobicContact CG-CG 4.41Å; E227-F259 HydrophobicContact CB-CE2 4.24Å; E227-F259 VanDerWaalsContact OE2-CE2 3.26Å; E227-F259 WeakPolarHBondContact OE2-CE2 3.44Å; D255-F259 WeakPolarHBondContact O-CB 3.23Å; D255-F259 PolarHBondContact O-N 2.99Å; I256-F259 WeakPolarHBondContact O-CB 3.42Å; I256-F259 PolarHBondContact O-N 3.18Å; F259-S261 PolarHBondContact O-N 3.29Å; F259-T262 PolarHBondContact O-N 2.85Å; F259-T262 VanDerWaalsContact O-N 3.14Å; F259-T262 PolarHBondContact O-OG1 2.67Å; F259-M263 HydrophobicContact CE1-CB 4.34Å; F259-M263 HydrophobicContact CE1-CG 4.37Å; F259-M263 HydrophobicContact CE1-SD 4.05Å; F259-M263 HydrophobicContact CZ-CB 4.28Å; F259-M263 HydrophobicContact CZ-CG 4.13Å; F259-M263 HydrophobicContact CZ-SD 4.21Å; F259-M263 WeakPolarHBondContact O-CB 3.29Å; F259-M263 PolarHBondContact O-N 2.96Å
260C77.4Confident70.8Confident4 Ų459.6 Ų59.63%0.02733%0.331CS..Hα-helixtrans-66.5-19.6178.6-61.80000113.5I191 I220 I256 S257 A258I191-C260 HydrophobicContact CG1-CB 4.29Å; I191-C260 HydrophobicContact CG2-CB 4Å; I191-C260 WeakPolarHBondContact CG2-SG 3.3Å; I191-C260 WeakPolarHBondContact O-CB 3.42Å; I220-C260 WeakPolarHBondContact CG2-SG 3.26Å; I256-C260 PolarHBondContact O-N 3.29Å; I256-C260 PolarHBondContact O-SG 3.19Å; S257-C260 PolarHBondContact O-N 3.41Å; A258-C260 VanDerWaalsContact C-N 3.27Å; A258-C260 PolarHBondContact O-N 2.77Å
261S74.9Confident70.4Confident62 Ų6258.4 Ų58.443%0.43434%0.338SS..Hα-helixtrans-85.1-24.1175.8-55.80000112.6N193 S257 A258 F259N193-S261 PolarHBondContact ND2-OG 3.48Å; S257-S261 PolarHBondContact O-N 3.05Å; S257-S261 PolarHBondContact O-OG 3.19Å; A258-S261 WeakPolarHBondContact O-CB 3.24Å; A258-S261 PolarHBondContact O-N 2.83Å; F259-S261 PolarHBondContact O-N 3.29Å
262T77.2Confident70.4Confident94 Ų9454.3 Ų54.358%0.57732%0.32SS*.Hα-helixtrans-105.7-13-176.459.20000113.9A258 F259 K264A258-T262 PolarHBondContact O-N 2.56Å; A258-T262 PolarHBondContact O-OG1 3.49Å; F259-T262 PolarHBondContact O-N 2.85Å; F259-T262 VanDerWaalsContact O-N 3.14Å; F259-T262 PolarHBondContact O-OG1 2.67Å; T262-K264 PolarHBondContact O-N 3.06Å
263M75.2Confident70.4Confident31 Ų3162.2 Ų62.215%0.15336%0.357CS..  trans-57119.7-177.7-177.1-178.367.300111.7I220 L223 F259 F265 P267I220-M263 HydrophobicContact CG1-CE 4.45Å; L223-M263 HydrophobicContact CD1-SD 3.66Å; F259-M263 HydrophobicContact CE1-CB 4.34Å; F259-M263 HydrophobicContact CE1-CG 4.37Å; F259-M263 HydrophobicContact CE1-SD 4.05Å; F259-M263 HydrophobicContact CZ-CB 4.28Å; F259-M263 HydrophobicContact CZ-CG 4.13Å; F259-M263 HydrophobicContact CZ-SD 4.21Å; F259-M263 WeakPolarHBondContact O-CB 3.29Å; F259-M263 PolarHBondContact O-N 2.96Å; M263-F265 WeakPolarHBondContact CE-O 3.39Å; M263-F265 HydrophobicContact CG-CB 4.26Å; M263-P267 HydrophobicContact CE-CG 4.06Å
264K66.8Low70.8Confident199 Ų19962.6 Ų62.687%0.86536%0.357SS*.  trans-87.2-11.8176.1-62.4-176.4179.9179.70113.8T262T262-K264 PolarHBondContact O-N 3.06Å
265F61.3Low71.1Confident141 Ų14163.1 Ų63.162%0.61835%0.354SS*.SBendtrans-93.9143.9-172.9-61.3-76000111.7L223 M263 P267L223-F265 HydrophobicContact CD1-CB 4.31Å; M263-F265 WeakPolarHBondContact CE-O 3.39Å; M263-F265 HydrophobicContact CG-CB 4.26Å; F265-P267 VanDerWaalsContact O-CD 3.26Å; F265-P267 WeakPolarHBondContact O-CD 3.4Å
266S63.6Low71.4Confident60 Ų6064.1 Ų64.142%0.4236%0.358SS..  trans-85.1120.5168.584.40000109.2W268 S269S266-W268 PolarHBondContact O-N 3.08Å; S266-S269 PolarHBondContact O-OG 3.33Å
267P57.8Low71.6Confident3 Ų367.9 Ų67.92%0.01938%0.384CS..G310 helixtrans-63.6-3.1-178.214.2-28.5000115.2F197 S219 I220 M263 F265 S269 T270F197-P267 HydrophobicContact CD2-CG 4.32Å; F197-P267 HydrophobicContact CE2-CG 3.2Å; F197-P267 HydrophobicContact CZ-CG 3.3Å; S219-P267 PolarHBondContact OG-O 2.89Å; I220-P267 HydrophobicContact CG1-CG 4.43Å; M263-P267 HydrophobicContact CE-CG 4.06Å; F265-P267 VanDerWaalsContact O-CD 3.26Å; F265-P267 WeakPolarHBondContact O-CD 3.4Å; P267-S269 PolarHBondContact O-N 3.14Å; P267-T270 PolarHBondContact O-N 3.17Å; P267-T270 PolarHBondContact O-OG1 3.29Å
268W61.5Low72.2Confident64 Ų6470 Ų7024%0.24239%0.388CS..G310 helixtrans-59.9-25.1177.4-56110.7000114.3R200 V201 C204 I212 S266 T270R200-W268 HydrophobicContact CB-CZ2 4.09Å; R200-W268 VanDerWaalsContact O-CZ2 3.28Å; R200-W268 WeakPolarHBondContact O-CZ2 3.19Å; V201-W268 HydrophobicContact CG2-CZ2 4.14Å; C204-W268 HydrophobicContact CB-CH2 3.68Å; C204-W268 HydrophobicContact CB-CZ3 3.9Å; C204-W268 WeakPolarHBondContact SG-CH2 3.31Å; C204-W268 WeakPolarHBondContact SG-CZ3 3.39Å; I212-W268 HydrophobicContact CG2-CH2 4.38Å; S266-W268 PolarHBondContact O-N 3.08Å; W268-T270 PolarHBondContact O-N 3.02Å
269S52.7Low72.6Confident95 Ų9567.6 Ų67.666%0.66437%0.367SS*.G310 helixtrans-66.6-13.6-179.4540000114S266 P267S266-S269 PolarHBondContact O-OG 3.33Å; P267-S269 PolarHBondContact O-N 3.14Å
270T55.7Low72.9Confident25 Ų2572.7 Ų72.715%0.15339%0.386CS..  trans-100.495.718049.30000111S219 P267 W268 F272S219-T270 WeakPolarHBondContact CB-OG1 3.36Å; S219-T270 PolarHBondContact OG-OG1 3.09Å; P267-T270 PolarHBondContact O-N 3.17Å; P267-T270 PolarHBondContact O-OG1 3.29Å; W268-T270 PolarHBondContact O-N 3.02Å; T270-F272 VanDerWaalsContact C-N 3.27Å; T270-F272 HydrophobicContact CG2-CE2 4.19Å; T270-F272 HydrophobicContact CG2-CZ 4.09Å; T270-F272 PolarHBondContact O-N 2.68Å; T270-F272 WeakPolarHBondContact OG1-CE2 3.45Å
271A53.1Low73.5Confident99 Ų9979.1 Ų79.182%0.81841%0.41SS*.  trans-76.171.9-179.200000111.9H273A271-H273 PolarHBondContact O-N 3.42Å
272F71.3Confident74.3Confident33 Ų3376.4 Ų76.415%0.14539%0.39CS..  trans-75115174.6-61.9-59.9000110.7H162 R215 I218 S219 V222 T270 L274H162-F272 AromaticContact CE1-CD1 3.32Å; H162-F272 WeakPolarHBondContact CE1-CD1 3.45Å; H162-F272 AromaticContact CE1-CE1 3.22Å; H162-F272 WeakPolarHBondContact CE1-CE1 3.3Å; H162-F272 AromaticContact ND1-CE1 3.86Å; H162-F272 AromaticContact NE2-CD1 3.79Å; H162-F272 AromaticContact NE2-CE1 4Å; R215-F272 PolarHBondContact NH1-O 3Å; R215-F272 PolarHBondContact NH2-O 3.26Å; I218-F272 HydrophobicContact CB-CD2 4.33Å; I218-F272 HydrophobicContact CB-CE2 4.42Å; I218-F272 HydrophobicContact CG2-CD2 3.86Å; I218-F272 HydrophobicContact CG2-CE1 4.44Å; I218-F272 HydrophobicContact CG2-CE2 3.75Å; I218-F272 HydrophobicContact CG2-CG 4.24Å; I218-F272 HydrophobicContact CG2-CZ 4.07Å; S219-F272 WeakPolarHBondContact OG-CE2 3.32Å; V222-F272 HydrophobicContact CB-CZ 4.34Å; V222-F272 HydrophobicContact CG1-CZ 4.5Å; V222-F272 HydrophobicContact CG2-CZ 3.87Å; T270-F272 VanDerWaalsContact C-N 3.27Å; T270-F272 HydrophobicContact CG2-CE2 4.19Å; T270-F272 HydrophobicContact CG2-CZ 4.09Å; T270-F272 PolarHBondContact O-N 2.68Å; T270-F272 WeakPolarHBondContact OG1-CE2 3.45Å; F272-L274 PolarHBondContact O-N 3.08Å
273H76.2Confident74.9Confident171 Ų17172.9 Ų72.979%0.79237%0.367SS*.  trans-72.498.9173.6-169.689.3000110.2A271A271-H273 PolarHBondContact O-N 3.42Å
274L84Confident75.5Confident19 Ų1974.8 Ų74.810%0.09938%0.376CS..  trans-103.5129.2170.1-58-172.1000110.9L158 K211 R215 I218 F272 I279L158-L274 HydrophobicContact CD1-CD1 4.49Å; L158-L274 HydrophobicContact CD2-CD2 4.35Å; K211-L274 HydrophobicContact CG-CB 4.4Å; R215-L274 HydrophobicContact CG-CD1 3.6Å; R215-L274 HydrophobicContact CG-CG 4.01Å; R215-L274 PolarHBondContact NH2-O 3.3Å; I218-L274 HydrophobicContact CD1-CD1 4.12Å; I218-L274 HydrophobicContact CD1-CD2 4.24Å; F272-L274 PolarHBondContact O-N 3.08Å; L274-I279 HydrophobicContact CB-CD1 3.92Å; L274-I279 HydrophobicContact CD1-CD1 4.05Å
275N84.5Confident76.6Confident85 Ų8568.1 Ų68.146%0.45535%0.348SS..  trans-91.4124.6173.8-173.9-23.5000110.1S277 Y278 I279N275-S277 PolarHBondContact OD1-N 3.02Å; N275-S277 PolarHBondContact OD1-OG 2.77Å; N275-Y278 PolarHBondContact O-N 2.78Å; N275-I279 WeakPolarHBondContact O-CG1 3.3Å; N275-I279 PolarHBondContact O-N 2.71Å; N275-I279 VanDerWaalsContact O-N 3.07Å
276M84.9Confident78Confident64 Ų6461.9 Ų61.932%0.31532%0.321SS..Hα-helixtrans-69.1-33.9-177.1-165.460.8-134.700113K211 Y278 I279 R280K211-M276 HydrophobicContact CB-SD 3.68Å; K211-M276 HydrophobicContact CD-CB 4.3Å; K211-M276 HydrophobicContact CD-SD 4.39Å; K211-M276 HydrophobicContact CG-SD 4.18Å; M276-Y278 VanDerWaalsContact C-N 3.3Å; M276-Y278 PolarHBondContact O-N 2.95Å; M276-I279 HydrophobicContact CE-CB 3.98Å; M276-I279 HydrophobicContact CE-CG2 3.66Å; M276-I279 PolarHBondContact O-N 3.45Å; M276-I279 HydrophobicContact SD-CB 4.32Å; M276-I279 HydrophobicContact SD-CD1 4.4Å; M276-I279 HydrophobicContact SD-CG2 4.37Å; M276-R280 HydrophobicContact CE-CB 4.47Å; M276-R280 WeakPolarHBondContact O-CB 3.48Å; M276-R280 PolarHBondContact O-N 3.12Å
277S85Confident79.1Confident79 Ų7960.3 Ų60.355%0.55231%0.307SS*.Hα-helixtrans-65.2-39.1176.8630000111N275 R280 R281N275-S277 PolarHBondContact OD1-N 3.02Å; N275-S277 PolarHBondContact OD1-OG 2.77Å; S277-R280 PolarHBondContact O-N 3.25Å; S277-R281 WeakPolarHBondContact O-CB 3.43Å; S277-R281 PolarHBondContact O-N 3.11Å
278Y90.5Very high80.4Confident80 Ų8062.8 Ų62.831%0.31432%0.319SS..Hα-helixtrans-63.6-47.1173.4-179.4-103.2000111.9L158 N275 M276 R280 R281 I282L158-Y278 HydrophobicContact CD2-CD1 4.11Å; L158-Y278 HydrophobicContact CD2-CE1 3.93Å; N275-Y278 PolarHBondContact O-N 2.78Å; M276-Y278 VanDerWaalsContact C-N 3.3Å; M276-Y278 PolarHBondContact O-N 2.95Å; Y278-R280 VanDerWaalsContact C-N 3.32Å; Y278-R280 PolarHBondContact O-N 2.94Å; Y278-R281 PolarHBondContact O-N 3.31Å; Y278-I282 HydrophobicContact CD1-CD1 4.17Å; Y278-I282 HydrophobicContact CE1-CD1 3.79Å; Y278-I282 HydrophobicContact CE1-CG2 4.25Å; Y278-I282 HydrophobicContact CE2-CG2 4.03Å; Y278-I282 WeakPolarHBondContact O-CG1 3.26Å; Y278-I282 PolarHBondContact O-N 3.41Å; Y278-I282 VanDerWaalsContact O-N 3.11Å
279I88.8Confident81.5Confident2 Ų265.9 Ų65.91%0.0133%0.334CS..Hα-helixtrans-58.1-45.4176.7-69.9172.4000111T154 L158 K211 Y214 L274 N275 M276 I282 Q283T154-I279 HydrophobicContact CG2-CG2 4.1Å; L158-I279 HydrophobicContact CD1-CD1 4.29Å; L158-I279 HydrophobicContact CD1-CG1 4.06Å; L158-I279 HydrophobicContact CD2-CG1 4.16Å; K211-I279 HydrophobicContact CG-CD1 4.17Å; Y214-I279 HydrophobicContact CD2-CD1 4.1Å; Y214-I279 HydrophobicContact CD2-CG2 3.88Å; Y214-I279 HydrophobicContact CE2-CG2 3.53Å; L274-I279 HydrophobicContact CB-CD1 3.92Å; L274-I279 HydrophobicContact CD1-CD1 4.05Å; N275-I279 WeakPolarHBondContact O-CG1 3.3Å; N275-I279 PolarHBondContact O-N 2.71Å; N275-I279 VanDerWaalsContact O-N 3.07Å; M276-I279 HydrophobicContact CE-CB 3.98Å; M276-I279 HydrophobicContact CE-CG2 3.66Å; M276-I279 PolarHBondContact O-N 3.45Å; M276-I279 HydrophobicContact SD-CB 4.32Å; M276-I279 HydrophobicContact SD-CD1 4.4Å; M276-I279 HydrophobicContact SD-CG2 4.37Å; I279-I282 WeakPolarHBondContact O-CG1 3.38Å; I279-Q283 VanDerWaalsContact O-CB 3.25Å; I279-Q283 WeakPolarHBondContact O-CB 2.85Å; I279-Q283 PolarHBondContact O-N 3.1Å
280R87.6Confident82.8Confident116 Ų11662.2 Ų62.244%0.43831%0.307SS..Hα-helixtrans-62.6-46.6-179.7-178.9173.9172.1-179.4-4.6111.4M276 S277 Y278 I282 Q283 E284M276-R280 HydrophobicContact CE-CB 4.47Å; M276-R280 WeakPolarHBondContact O-CB 3.48Å; M276-R280 PolarHBondContact O-N 3.12Å; S277-R280 PolarHBondContact O-N 3.25Å; Y278-R280 VanDerWaalsContact C-N 3.32Å; Y278-R280 PolarHBondContact O-N 2.94Å; R280-I282 PolarHBondContact O-N 2.91Å; R280-Q283 WeakPolarHBondContact O-CB 3.27Å; R280-Q283 PolarHBondContact O-N 3.08Å; R280-E284 HydrophobicContact CG-CG 4.45Å; R280-E284 VanDerWaalsContact CG-OE1 3.3Å; R280-E284 WeakPolarHBondContact CG-OE1 3.41Å; R280-E284 IonicContact CZ-OE1 2.56Å; R280-E284 IonicContact NE-OE1 3.87Å; R280-E284 PolarHBondContact NE-OE1 3.28Å; R280-E284 IonicContact NH2-OE1 3.94Å; R280-E284 PolarHBondContact NH2-OE1 3.37Å; R280-E284 WeakPolarHBondContact O-CG 3.3Å; R280-E284 PolarHBondContact O-N 3.13Å
281R91.4Very high83.8Confident139 Ų13964.1 Ų64.153%0.52531%0.312SS..Hα-helixtrans-58.3-49.3178.3-161.1-171.6103.31739.2112.1S277 Y278 Q283 E284 E285S277-R281 WeakPolarHBondContact O-CB 3.43Å; S277-R281 PolarHBondContact O-N 3.11Å; Y278-R281 PolarHBondContact O-N 3.31Å; R281-Q283 VanDerWaalsContact C-N 3.31Å; R281-Q283 PolarHBondContact O-N 3.27Å; R281-E284 PolarHBondContact O-N 3.43Å; R281-E285 IonicContact CZ-OE1 3.81Å; R281-E285 IonicContact NE-OE1 3.38Å; R281-E285 PolarHBondContact NE-OE1 2.99Å; R281-E285 IonicContact NH2-OE1 2.57Å; R281-E285 PolarHBondContact NH2-OE1 2.8Å; R281-E285 VanDerWaalsContact NH2-OE1 3.09Å; R281-E285 WeakPolarHBondContact O-CB 3.22Å; R281-E285 VanDerWaalsContact O-CG 3.3Å; R281-E285 WeakPolarHBondContact O-CG 3.44Å; R281-E285 PolarHBondContact O-N 3.1Å
282I91.5Very high84.8Confident5 Ų566.8 Ų66.83%0.02631%0.305CS..Hα-helixtrans-69-30179.564.1-177.8000112.5T154 I157 L158 Y278 I279 R280 N286T154-I282 HydrophobicContact CG2-CD1 3.67Å; T154-I282 HydrophobicContact CG2-CG1 3.72Å; I157-I282 HydrophobicContact CB-CD1 4.38Å; I157-I282 HydrophobicContact CD1-CB 4.46Å; I157-I282 HydrophobicContact CG2-CD1 4.07Å; L158-I282 HydrophobicContact CD2-CD1 3.99Å; L158-I282 HydrophobicContact CG-CD1 4.1Å; Y278-I282 HydrophobicContact CD1-CD1 4.17Å; Y278-I282 HydrophobicContact CE1-CD1 3.79Å; Y278-I282 HydrophobicContact CE1-CG2 4.25Å; Y278-I282 HydrophobicContact CE2-CG2 4.03Å; Y278-I282 WeakPolarHBondContact O-CG1 3.26Å; Y278-I282 PolarHBondContact O-N 3.41Å; Y278-I282 VanDerWaalsContact O-N 3.11Å; I279-I282 WeakPolarHBondContact O-CG1 3.38Å; R280-I282 PolarHBondContact O-N 2.91Å; I282-N286 WeakPolarHBondContact O-CB 3.32Å; I282-N286 VanDerWaalsContact O-CG 3.31Å; I282-N286 PolarHBondContact O-N 3.37Å; I282-N286 PolarHBondContact O-ND2 3.22Å
283Q89.8Confident84.7Confident20 Ų2071 Ų719%0.09332%0.323CS..Hα-helixtrans-63.3-53.7172.9177.468.318.800110.4S147 T154 Y214 I279 R280 R281 E285 N286 E287S147-Q283 PolarHBondContact O-NE2 3.46Å; T154-Q283 WeakPolarHBondContact OG1-CA 3.45Å; T154-Q283 PolarHBondContact OG1-OE1 2.94Å; Y214-Q283 PolarHBondContact OH-OE1 3.39Å; I279-Q283 VanDerWaalsContact O-CB 3.25Å; I279-Q283 WeakPolarHBondContact O-CB 2.85Å; I279-Q283 PolarHBondContact O-N 3.1Å; R280-Q283 WeakPolarHBondContact O-CB 3.27Å; R280-Q283 PolarHBondContact O-N 3.08Å; R281-Q283 VanDerWaalsContact C-N 3.31Å; R281-Q283 PolarHBondContact O-N 3.27Å; Q283-E285 PolarHBondContact O-N 2.85Å; Q283-N286 PolarHBondContact O-N 3.48Å; Q283-N286 VanDerWaalsContact O-N 3.16Å; Q283-E287 PolarHBondContact NE2-OE1 3.05Å; Q283-E287 WeakPolarHBondContact O-CG 3.31Å; Q283-E287 PolarHBondContact O-N 3.29Å
284E87.9Confident83.9Confident72 Ų7265.3 Ų65.334%0.33630%0.299SS..Hα-helixtrans-59.4-45.2178.6-70.4165174.700111.1R280 R281 N286 E287 M288R280-E284 HydrophobicContact CG-CG 4.45Å; R280-E284 VanDerWaalsContact CG-OE1 3.3Å; R280-E284 WeakPolarHBondContact CG-OE1 3.41Å; R280-E284 IonicContact CZ-OE1 2.56Å; R280-E284 IonicContact NE-OE1 3.87Å; R280-E284 PolarHBondContact NE-OE1 3.28Å; R280-E284 IonicContact NH2-OE1 3.94Å; R280-E284 PolarHBondContact NH2-OE1 3.37Å; R280-E284 WeakPolarHBondContact O-CG 3.3Å; R280-E284 PolarHBondContact O-N 3.13Å; R281-E284 PolarHBondContact O-N 3.43Å; E284-N286 VanDerWaalsContact C-N 3.32Å; E284-N286 PolarHBondContact O-N 2.97Å; E284-E287 PolarHBondContact O-N 3.25Å; E284-M288 WeakPolarHBondContact O-CG 3.3Å; E284-M288 PolarHBondContact O-N 2.96Å
285E90.5Very high82.5Confident59 Ų5965.4 Ų65.428%0.27630%0.302SS..Hα-helixtrans-56.7-42.4174.5-75.5174.8-160.300112.6R281 Q283 K289R281-E285 IonicContact CZ-OE1 3.81Å; R281-E285 IonicContact NE-OE1 3.38Å; R281-E285 PolarHBondContact NE-OE1 2.99Å; R281-E285 IonicContact NH2-OE1 2.57Å; R281-E285 PolarHBondContact NH2-OE1 2.8Å; R281-E285 VanDerWaalsContact NH2-OE1 3.09Å; R281-E285 WeakPolarHBondContact O-CB 3.22Å; R281-E285 VanDerWaalsContact O-CG 3.3Å; R281-E285 WeakPolarHBondContact O-CG 3.44Å; R281-E285 PolarHBondContact O-N 3.1Å; Q283-E285 PolarHBondContact O-N 2.85Å; E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 3.41Å; E285-K289 VanDerWaalsContact O-N 3.14Å
286N89.6Confident81.2Confident10 Ų1065 Ų655%0.05330%0.303CS..Hα-helixtrans-72.5-37.8179.1-78.5-45.3000112.6A150 R153 T154 I157 I282 Q283 E284 K289 L290A150-N286 HydrophobicContact CB-CB 3.76Å; R153-N286 HydrophobicContact CB-CB 4.2Å; T154-N286 PolarHBondContact N-ND2 3.41Å; T154-N286 PolarHBondContact OG1-ND2 3.02Å; I157-N286 WeakPolarHBondContact CD1-ND2 3.16Å; I282-N286 WeakPolarHBondContact O-CB 3.32Å; I282-N286 VanDerWaalsContact O-CG 3.31Å; I282-N286 PolarHBondContact O-N 3.37Å; I282-N286 PolarHBondContact O-ND2 3.22Å; Q283-N286 PolarHBondContact O-N 3.48Å; Q283-N286 VanDerWaalsContact O-N 3.16Å; E284-N286 VanDerWaalsContact C-N 3.32Å; E284-N286 PolarHBondContact O-N 2.97Å; N286-K289 PolarHBondContact O-N 2.76Å; N286-L290 WeakPolarHBondContact O-CG 3.35Å; N286-L290 PolarHBondContact O-N 3.3Å
287E86.9Confident79.6Confident26 Ų2666.8 Ų66.812%0.12131%0.313CS..Hα-helixtrans-61.4-45.3174.4-71.7-176-168.900111I146 S147 A150 Q283 E284 K289 L290 R291I146-E287 HydrophobicContact CG2-CB 4.25Å; I146-E287 HydrophobicContact CG2-CG 4.37Å; S147-E287 WeakPolarHBondContact CA-OE1 3.21Å; S147-E287 WeakPolarHBondContact CB-OE1 3.45Å; S147-E287 PolarHBondContact OG-OE1 3.26Å; S147-E287 PolarHBondContact OG-OE2 3.1Å; A150-E287 HydrophobicContact CB-CB 4.21Å; A150-E287 HydrophobicContact CB-CG 3.32Å; Q283-E287 PolarHBondContact NE2-OE1 3.05Å; Q283-E287 WeakPolarHBondContact O-CG 3.31Å; Q283-E287 PolarHBondContact O-N 3.29Å; E284-E287 PolarHBondContact O-N 3.25Å; E287-K289 PolarHBondContact O-N 3.19Å; E287-L290 PolarHBondContact O-N 2.68Å; E287-R291 WeakPolarHBondContact O-CG 3.16Å; E287-R291 PolarHBondContact O-N 3.44Å; E287-R291 IonicContact OE2-CZ 2.8Å; E287-R291 IonicContact OE2-NH1 2.62Å; E287-R291 IonicContact OE2-NH2 2.78Å; E287-R291 PolarHBondContact OE2-NH2 3.4Å
288M84.3Confident77.7Confident56 Ų5663.9 Ų63.928%0.27629%0.294SS..Hα-helixtrans-60.2-43.6176-70.7-172-74.200112.3E284 L290 R291 K292 L415E284-M288 WeakPolarHBondContact O-CG 3.3Å; E284-M288 PolarHBondContact O-N 2.96Å; M288-L290 VanDerWaalsContact C-N 3.33Å; M288-L290 PolarHBondContact O-N 3.14Å; M288-R291 PolarHBondContact O-N 2.99Å; M288-K292 WeakPolarHBondContact O-CG 3.29Å; M288-K292 PolarHBondContact O-N 3.23Å; M288-L415 HydrophobicContact SD-CB 4.43Å; M288-L415 HydrophobicContact SD-CD2 3.8Å
289K86.4Confident75.6Confident129 Ų12964.1 Ų64.156%0.56130%0.298SS*.Hα-helixtrans-61.8-39.9176.6-75171.8-175.7171.80112.7E285 N286 E287 K293E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 3.41Å; E285-K289 VanDerWaalsContact O-N 3.14Å; N286-K289 PolarHBondContact O-N 2.76Å; E287-K289 PolarHBondContact O-N 3.19Å; K289-K293 PolarHBondContact O-N 3.11Å
290L79.9Confident73.7Confident18 Ų1869.1 Ų69.19%0.09433%0.328CS..Hα-helixtrans-69.5-44.8177.6-74.1171.9000111.3I146 A150 N286 E287 M288 K292 K293 D294I146-L290 HydrophobicContact CG2-CB 4.07Å; A150-L290 HydrophobicContact CB-CD1 4.11Å; N286-L290 WeakPolarHBondContact O-CG 3.35Å; N286-L290 PolarHBondContact O-N 3.3Å; E287-L290 PolarHBondContact O-N 2.68Å; M288-L290 VanDerWaalsContact C-N 3.33Å; M288-L290 PolarHBondContact O-N 3.14Å; L290-K292 VanDerWaalsContact C-N 3.32Å; L290-K292 PolarHBondContact O-N 3.25Å; L290-K293 WeakPolarHBondContact O-CB 3.21Å; L290-K293 PolarHBondContact O-N 3.46Å; L290-K293 VanDerWaalsContact O-N 3.07Å; L290-D294 PolarHBondContact O-N 3.22Å
291R76.3Confident71.5Confident65 Ų6566.6 Ų66.625%0.24533%0.332CS..Hα-helixtrans-55.6-44.8174.1-73.4177.9-171.8117.911.2112I146 E287 M288 K293 D294 A295I146-R291 HydrophobicContact CD1-CG 3.83Å; I146-R291 HydrophobicContact CG2-CG 4.07Å; E287-R291 WeakPolarHBondContact O-CG 3.16Å; E287-R291 PolarHBondContact O-N 3.44Å; E287-R291 IonicContact OE2-CZ 2.8Å; E287-R291 IonicContact OE2-NH1 2.62Å; E287-R291 IonicContact OE2-NH2 2.78Å; E287-R291 PolarHBondContact OE2-NH2 3.4Å; M288-R291 PolarHBondContact O-N 2.99Å; R291-K293 VanDerWaalsContact C-N 3.34Å; R291-K293 PolarHBondContact O-N 2.84Å; R291-D294 PolarHBondContact O-N 2.87Å; R291-A295 WeakPolarHBondContact O-CB 3.33Å; R291-A295 PolarHBondContact O-N 2.93Å
292K74.1Confident69.3Low154 Ų15460.9 Ų60.967%0.6731%0.313SS*.Hα-helixtrans-59.9-42.1175.6-73.3-177.2-179.7-171.40112.3M288 L290 T296M288-K292 WeakPolarHBondContact O-CG 3.29Å; M288-K292 PolarHBondContact O-N 3.23Å; L290-K292 VanDerWaalsContact C-N 3.32Å; L290-K292 PolarHBondContact O-N 3.25Å; K292-T296 WeakPolarHBondContact O-CG2 3.34Å; K292-T296 PolarHBondContact O-N 3.43Å; K292-T296 VanDerWaalsContact O-N 3.14Å; K292-T296 PolarHBondContact O-OG1 3.44Å
293K67.7Low67.2Low122 Ų12263 Ų6353%0.5333%0.329SS..Hα-helixtrans-67.2-44.2178.1-173.4-178.4176.8-177.70111.9K289 L290 R291 A295 T296 L297K289-K293 PolarHBondContact O-N 3.11Å; L290-K293 WeakPolarHBondContact O-CB 3.21Å; L290-K293 PolarHBondContact O-N 3.46Å; L290-K293 VanDerWaalsContact O-N 3.07Å; R291-K293 VanDerWaalsContact C-N 3.34Å; R291-K293 PolarHBondContact O-N 2.84Å; K293-A295 VanDerWaalsContact C-N 3.31Å; K293-A295 PolarHBondContact O-N 2.84Å; K293-T296 PolarHBondContact O-N 2.74Å; K293-T296 PolarHBondContact O-OG1 3.06Å; K293-L297 HydrophobicContact CG-CD1 4.31Å; K293-L297 PolarHBondContact O-N 3.05Å
294D60.2Low65.2Low52 Ų5269.8 Ų69.828%0.27836%0.36SS..Hα-helixtrans-67.6-34.5178.7-68.9-16.9000111.2L290 R291 L297 A298 T328L290-D294 PolarHBondContact O-N 3.22Å; R291-D294 PolarHBondContact O-N 2.87Å; D294-L297 PolarHBondContact O-N 3.23Å; D294-A298 WeakPolarHBondContact O-CB 3.21Å; D294-A298 PolarHBondContact O-N 3.22Å; D294-T328 HydrophobicContact CB-CG2 3.54Å
295A55.3Low63.1Low21 Ų2172.8 Ų72.817%0.17438%0.379CS..Hα-helixtrans-61-47.7173.400000110.7R291 K293 L297 A298 E299 T328R291-A295 WeakPolarHBondContact O-CB 3.33Å; R291-A295 PolarHBondContact O-N 2.93Å; K293-A295 VanDerWaalsContact C-N 3.31Å; K293-A295 PolarHBondContact O-N 2.84Å; A295-L297 VanDerWaalsContact C-N 3.31Å; A295-L297 PolarHBondContact O-N 2.7Å; A295-A298 PolarHBondContact O-N 3.25Å; A295-E299 WeakPolarHBondContact O-CB 3.42Å; A295-E299 WeakPolarHBondContact O-CG 3.23Å; A295-E299 PolarHBondContact O-N 3.03Å; A295-T328 HydrophobicContact CB-CG2 4.1Å
296T56.9Low60.8Low76 Ų7671.5 Ų71.547%0.46637%0.374SS..Hα-helixtrans-63.2-32.9176.6560000113.7K292 K293 V300K292-T296 WeakPolarHBondContact O-CG2 3.34Å; K292-T296 PolarHBondContact O-N 3.43Å; K292-T296 VanDerWaalsContact O-N 3.14Å; K292-T296 PolarHBondContact O-OG1 3.44Å; K293-T296 PolarHBondContact O-N 2.74Å; K293-T296 PolarHBondContact O-OG1 3.06Å; T296-V300 WeakPolarHBondContact O-CG2 3.3Å
297L51.8Low58.6Low102 Ų10275.7 Ų75.753%0.53439%0.391SS..Hα-helixtrans-76.2-38.2176.7-74.9167.5000111.8K293 D294 A295 V300 A301K293-L297 HydrophobicContact CG-CD1 4.31Å; K293-L297 PolarHBondContact O-N 3.05Å; D294-L297 PolarHBondContact O-N 3.23Å; A295-L297 VanDerWaalsContact C-N 3.31Å; A295-L297 PolarHBondContact O-N 2.7Å; L297-V300 WeakPolarHBondContact O-CB 3.3Å; L297-V300 PolarHBondContact O-N 3.13Å; L297-A301 PolarHBondContact O-N 3.18Å; L297-A301 VanDerWaalsContact O-N 3.09Å
298A44.3Very low56.6Low18 Ų1879 Ų7915%0.14942%0.417CS..Hα-helixtrans-74.2-30.2178.200000112.4D294 A295 V300 A301 S302 H331D294-A298 WeakPolarHBondContact O-CB 3.21Å; D294-A298 PolarHBondContact O-N 3.22Å; A295-A298 PolarHBondContact O-N 3.25Å; A298-V300 PolarHBondContact O-N 2.97Å; A298-A301 PolarHBondContact O-N 3.15Å; A298-S302 WeakPolarHBondContact O-CB 3.13Å; A298-S302 PolarHBondContact O-N 3.39Å; A298-S302 PolarHBondContact O-OG 3.36Å; A298-H331 HydrophobicContact CB-CB 4.42Å; A298-H331 WeakPolarHBondContact CB-ND1 3.32Å
299E47Very low54.6Low84 Ų8481.8 Ų81.839%0.39343%0.433SS..Hα-helixtrans-53.9-40.4166-84176.416300112A295 S324A295-E299 WeakPolarHBondContact O-CB 3.42Å; A295-E299 WeakPolarHBondContact O-CG 3.23Å; A295-E299 PolarHBondContact O-N 3.03Å; E299-S324 WeakPolarHBondContact OE1-CB 3.32Å; E299-S324 PolarHBondContact OE1-OG 2.74Å
300V48.6Very low52.7Low108 Ų10876.5 Ų76.566%0.65541%0.411SS*.Hα-helixtrans-73.1-37.9178.4177.30000111.2T296 L297 A298T296-V300 WeakPolarHBondContact O-CG2 3.3Å; L297-V300 WeakPolarHBondContact O-CB 3.3Å; L297-V300 PolarHBondContact O-N 3.13Å; A298-V300 PolarHBondContact O-N 2.97Å
301A41.8Very low50.9Low62 Ų6278.9 Ų78.951%0.51243%0.433SS..Hα-helixtrans-82.6-37.3-17700000114.4L297 A298 S303 Q304L297-A301 PolarHBondContact O-N 3.18Å; L297-A301 VanDerWaalsContact O-N 3.09Å; A298-A301 PolarHBondContact O-N 3.15Å; A301-S303 VanDerWaalsContact C-N 3.29Å; A301-S303 PolarHBondContact O-N 2.95Å; A301-Q304 PolarHBondContact O-N 3.31Å
302S45.1Very low49.5Very low19 Ų1984.1 Ų84.113%0.13346%0.46CS..Hα-helixtrans-71-25-178.9640000112.5A298 Q304 L306A298-S302 WeakPolarHBondContact O-CB 3.13Å; A298-S302 PolarHBondContact O-N 3.39Å; A298-S302 PolarHBondContact O-OG 3.36Å; S302-Q304 PolarHBondContact O-N 2.88Å; S302-Q304 VanDerWaalsContact O-N 3.1Å; S302-L306 PolarHBondContact O-N 3.4Å
303S46.9Very low48.5Very low50 Ų5079.5 Ų79.535%0.3544%0.44SS..Hα-helixtrans-62.6-13.7173.2-163.10000113.6A301 K307A301-S303 VanDerWaalsContact C-N 3.29Å; A301-S303 PolarHBondContact O-N 2.95Å; S303-K307 WeakPolarHBondContact O-CD 3.14Å; S303-K307 WeakPolarHBondContact O-CE 3.45Å; S303-K307 WeakPolarHBondContact O-CG 3.21Å; S303-K307 PolarHBondContact O-NZ 3.24Å; S303-K307 PolarHBondContact OG-NZ 3.3Å
304Q48.5Very low47.9Very low162 Ų16282.7 Ų82.776%0.75746%0.457SS*.Hα-helixtrans-105-34.8179.4-67.9-169.6-20.600114.3A301 S302A301-Q304 PolarHBondContact O-N 3.31Å; S302-Q304 PolarHBondContact O-N 2.88Å; S302-Q304 VanDerWaalsContact O-N 3.1Å
305N43.7Very low47.9Very low136 Ų13681.1 Ų81.173%0.72745%0.447SS*.Hα-helixtrans-103.6-22.8-172.9-80.3-16.6000115.9S308N305-S308 PolarHBondContact O-OG 3.3Å
306L41.5Very low47.7Very low32 Ų3283.6 Ų83.617%0.16845%0.454CS..SBendtrans-89.6-12.6179.5-94.6141.1000113.8S302 S308 L309 L310 I323S302-L306 PolarHBondContact O-N 3.4Å; L306-S308 PolarHBondContact O-N 3.35Å; L306-L309 PolarHBondContact O-N 3.23Å; L306-L310 HydrophobicContact CD2-CD1 3.56Å; L306-L310 HydrophobicContact CD2-CG 4.34Å; L306-I323 HydrophobicContact CD1-CD1 3.92Å; L306-I323 HydrophobicContact CD2-CD1 4.01Å; L306-I323 HydrophobicContact CG-CD1 4.42Å
307K44.3Very low47.7Very low97 Ų9784.7 Ų84.742%0.42247%0.465SS..THydrogen-bonded Turntrans-65.5-21.8177.8-75.6-168.5180140.30114S303 F316S303-K307 WeakPolarHBondContact O-CD 3.14Å; S303-K307 WeakPolarHBondContact O-CE 3.45Å; S303-K307 WeakPolarHBondContact O-CG 3.21Å; S303-K307 PolarHBondContact O-NZ 3.24Å; S303-K307 PolarHBondContact OG-NZ 3.3Å; K307-F316 HydrophobicContact CB-CE2 4.34Å; K307-F316 HydrophobicContact CB-CZ 3.74Å; K307-F316 HydrophobicContact CD-CZ 4.27Å; K307-F316 HydrophobicContact CG-CE1 4.34Å; K307-F316 HydrophobicContact CG-CZ 3.66Å; K307-F316 VanDerWaalsContact O-CE2 3.27Å; K307-F316 WeakPolarHBondContact O-CE2 3.42Å
308S43.4Very low48.5Very low96 Ų9680.8 Ų80.867%0.67145%0.446SS*.THydrogen-bonded Turntrans-89-22.3-177.654.50000114.1N305 L306N305-S308 PolarHBondContact O-OG 3.3Å; L306-S308 PolarHBondContact O-N 3.35Å
309L42.7Very low49.6Very low115 Ų11580.8 Ų80.860%0.60244%0.443SS*.THydrogen-bonded Turntrans-103.6-21.2-172.2-116.4145.1000113.8L306L306-L309 PolarHBondContact O-N 3.23Å
310L46.5Very low50.6Low18 Ų1879.4 Ų79.49%0.09444%0.442CS..SBendtrans-105.68.4-178.7-66.7169000113.7L306 E312 H313 I319 I323L306-L310 HydrophobicContact CD2-CD1 3.56Å; L306-L310 HydrophobicContact CD2-CG 4.34Å; L310-E312 PolarHBondContact O-N 3.26Å; L310-E312 VanDerWaalsContact O-N 3.14Å; L310-H313 PolarHBondContact O-N 3.02Å; L310-I319 HydrophobicContact CD1-CG2 3.79Å; L310-I323 HydrophobicContact CD1-CD1 4.4Å
311A42.9Very low52.2Low67 Ų6777.3 Ų77.355%0.55443%0.427SS*.THydrogen-bonded Turntrans-63.5-12.8177.400000113.7F316A311-F316 HydrophobicContact CB-CE2 4.34Å
312E46.1Very low54.3Low176 Ų17674.7 Ų74.782%0.82241%0.405SS*.THydrogen-bonded Turntrans-85-5.9178-66.1-170.9166.700114.1L310L310-E312 PolarHBondContact O-N 3.26Å; L310-E312 VanDerWaalsContact O-N 3.14Å
313H53.6Low56Low56 Ų5674.3 Ų74.326%0.25940%0.401SS..SBendtrans-107.5138.1-179.2-66.7-62.2000112.7L310 Y315 F316L310-H313 PolarHBondContact O-N 3.02Å; H313-Y315 HydrophobicContact CB-CD2 4.46Å; H313-Y315 PolarHBondContact O-N 2.93Å; H313-F316 PolarHBondContact O-N 3.3Å
314H54.5Low57.6Low190 Ų19072.4 Ų72.488%0.8839%0.387SS*.THydrogen-bonded Turntrans-54.9-4.3179.3-88.2-112.8000115.3
315Y59.8Low59.5Low18 Ų1867.4 Ų67.47%0.07136%0.362CS..THydrogen-bonded Turntrans-11216.3-171.3-50.4-68.6000114.3H313 S317 V318 I319 L364 Q366 I372 E473H313-Y315 HydrophobicContact CB-CD2 4.46Å; H313-Y315 PolarHBondContact O-N 2.93Å; Y315-S317 VanDerWaalsContact C-N 3.29Å; Y315-S317 PolarHBondContact O-N 3.06Å; Y315-S317 VanDerWaalsContact O-N 3.08Å; Y315-V318 WeakPolarHBondContact O-CA 3.32Å; Y315-V318 WeakPolarHBondContact O-CB 3.42Å; Y315-V318 PolarHBondContact O-N 3.3Å; Y315-I319 PolarHBondContact O-N 3.44Å; Y315-L364 HydrophobicContact CD2-CD2 4.12Å; Y315-L364 HydrophobicContact CE2-CD2 4.26Å; Y315-L364 HydrophobicContact CG-CD2 4.38Å; Y315-Q366 PolarHBondContact OH-OE1 3.24Å; Y315-I372 HydrophobicContact CD1-CD1 3.57Å; Y315-I372 HydrophobicContact CD1-CG1 4.43Å; Y315-I372 HydrophobicContact CE1-CD1 3.77Å; Y315-I372 HydrophobicContact CE1-CG1 4.23Å; Y315-E473 WeakPolarHBondContact CE2-OE2 3.46Å
316F52.1Low61.5Low74 Ų7461.2 Ų61.233%0.32533%0.329SS..Hα-helixtrans-48-44.3-169.5-171.4-99.5000115.3K307 A311 H313 V318 S320K307-F316 HydrophobicContact CB-CE2 4.34Å; K307-F316 HydrophobicContact CB-CZ 3.74Å; K307-F316 HydrophobicContact CD-CZ 4.27Å; K307-F316 HydrophobicContact CG-CE1 4.34Å; K307-F316 HydrophobicContact CG-CZ 3.66Å; K307-F316 VanDerWaalsContact O-CE2 3.27Å; K307-F316 WeakPolarHBondContact O-CE2 3.42Å; A311-F316 HydrophobicContact CB-CE2 4.34Å; H313-F316 PolarHBondContact O-N 3.3Å; F316-V318 VanDerWaalsContact C-N 3.33Å; F316-V318 PolarHBondContact O-N 3.05Å; F316-S320 PolarHBondContact O-OG 3.29Å
317S57.4Low63.6Low99 Ų9960.6 Ų60.669%0.69233%0.326SS*.Hα-helixtrans-69.7-30.7178.656.50000113.3Y315Y315-S317 VanDerWaalsContact C-N 3.29Å; Y315-S317 PolarHBondContact O-N 3.06Å; Y315-S317 VanDerWaalsContact O-N 3.08Å
318V68.5Low65.2Low20 Ų2057 Ų5712%0.12131%0.313CS..Hα-helixtrans-78.2-42.3-176.1171.80000111Y315 F316 S320 L321 L322 I372 F403Y315-V318 WeakPolarHBondContact O-CA 3.32Å; Y315-V318 WeakPolarHBondContact O-CB 3.42Å; Y315-V318 PolarHBondContact O-N 3.3Å; F316-V318 VanDerWaalsContact C-N 3.33Å; F316-V318 PolarHBondContact O-N 3.05Å; V318-S320 VanDerWaalsContact C-N 3.33Å; V318-S320 PolarHBondContact O-N 3.09Å; V318-L321 PolarHBondContact O-N 3.45Å; V318-L322 PolarHBondContact O-N 3.17Å; V318-I372 HydrophobicContact CG1-CG2 4.18Å; V318-I372 HydrophobicContact CG2-CD1 4.14Å; V318-F403 HydrophobicContact CB-CD1 4.38Å; V318-F403 HydrophobicContact CB-CG 4.4Å; V318-F403 HydrophobicContact CG1-CB 4.32Å; V318-F403 HydrophobicContact CG1-CD1 3.68Å; V318-F403 HydrophobicContact CG1-CD2 3.23Å; V318-F403 HydrophobicContact CG1-CE1 3.72Å; V318-F403 HydrophobicContact CG1-CE2 3.25Å; V318-F403 HydrophobicContact CG1-CG 3.45Å; V318-F403 VanDerWaalsContact CG1-CG 3.45Å; V318-F403 HydrophobicContact CG1-CZ 3.52Å; V318-F403 HydrophobicContact CG2-CB 4.48Å; V318-F403 HydrophobicContact CG2-CD1 4.45Å; V318-F403 HydrophobicContact CG2-CG 4.32Å; V318-F403 WeakPolarHBondContact O-CE1 3.4Å; V318-F403 WeakPolarHBondContact O-CZ 3.42Å
319I67.7Low66.9Low18 Ų1855.9 Ų55.99%0.09229%0.294CS..Hα-helixtrans-66.4-35.5-175.7-63165.4000111.8L310 Y315 L321 L322 I323L310-I319 HydrophobicContact CD1-CG2 3.79Å; Y315-I319 PolarHBondContact O-N 3.44Å; I319-L321 VanDerWaalsContact C-N 3.29Å; I319-L321 PolarHBondContact O-N 2.98Å; I319-L322 WeakPolarHBondContact O-CB 3.37Å; I319-L322 PolarHBondContact O-N 3Å; I319-L322 VanDerWaalsContact O-N 3.15Å; I319-I323 HydrophobicContact CG2-CD1 3.74Å; I319-I323 HydrophobicContact CG2-CG1 4.05Å; I319-I323 WeakPolarHBondContact O-CG1 3.08Å; I319-I323 PolarHBondContact O-N 2.59Å
320S68.1Low68.8Low55 Ų5552 Ų5239%0.38527%0.271SS..Hα-helixtrans-59.1-41.3178.8-64.50000112.3F316 V318F316-S320 PolarHBondContact O-OG 3.29Å; V318-S320 VanDerWaalsContact C-N 3.33Å; V318-S320 PolarHBondContact O-N 3.09Å
321L81.7Confident70.2Confident63 Ų6352.3 Ų52.333%0.3327%0.272SS..Hα-helixtrans-75.9-35.1176.6179.661.3000111.6V318 I319 I323 S324 W325 F403 A407V318-L321 PolarHBondContact O-N 3.45Å; I319-L321 VanDerWaalsContact C-N 3.29Å; I319-L321 PolarHBondContact O-N 2.98Å; L321-I323 VanDerWaalsContact C-N 3.34Å; L321-I323 PolarHBondContact O-N 3.49Å; L321-S324 PolarHBondContact O-N 3.21Å; L321-S324 PolarHBondContact O-OG 3.39Å; L321-W325 HydrophobicContact CD1-CZ2 3.85Å; L321-W325 HydrophobicContact CD2-CH2 3.87Å; L321-W325 HydrophobicContact CD2-CZ2 3.83Å; L321-W325 HydrophobicContact CG-CH2 3.82Å; L321-W325 HydrophobicContact CG-CZ2 3.62Å; L321-W325 HydrophobicContact CG-CZ3 4.39Å; L321-F403 HydrophobicContact CB-CE1 4.02Å; L321-F403 HydrophobicContact CD2-CD1 4.28Å; L321-F403 HydrophobicContact CD2-CE1 3.93Å; L321-F403 HydrophobicContact CG-CE1 4.06Å; L321-A407 HydrophobicContact CD2-CB 3.34Å
322L84.9Confident71.6Confident8 Ų857.2 Ų57.24%0.04229%0.288CS..Hα-helixtrans-58.1-48.2174.3-176.650.8000111.7V318 I319 S324 W325 I326 V362 L364 F401 F403V318-L322 PolarHBondContact O-N 3.17Å; I319-L322 WeakPolarHBondContact O-CB 3.37Å; I319-L322 PolarHBondContact O-N 3Å; I319-L322 VanDerWaalsContact O-N 3.15Å; L322-S324 PolarHBondContact O-N 3.05Å; L322-W325 HydrophobicContact CD1-CE3 4.17Å; L322-W325 PolarHBondContact O-N 3.19Å; L322-I326 PolarHBondContact O-N 3.36Å; L322-V362 HydrophobicContact CD2-CG1 3.77Å; L322-L364 HydrophobicContact CD2-CD1 4.43Å; L322-F401 HydrophobicContact CD1-CD1 3.5Å; L322-F401 HydrophobicContact CD1-CD2 3.94Å; L322-F401 HydrophobicContact CD1-CE1 3.4Å; L322-F401 HydrophobicContact CD1-CE2 3.86Å; L322-F401 HydrophobicContact CD1-CG 3.76Å; L322-F401 HydrophobicContact CD1-CZ 3.59Å; L322-F401 HydrophobicContact CD2-CE1 4.37Å; L322-F401 HydrophobicContact CD2-CE2 4.14Å; L322-F401 HydrophobicContact CD2-CZ 3.83Å; L322-F401 HydrophobicContact CG-CZ 4.39Å; L322-F403 HydrophobicContact CB-CZ 3.84Å; L322-F403 HydrophobicContact CD1-CZ 4.47Å
323I80.4Confident72.9Confident11 Ų1150.9 Ų50.96%0.05626%0.262CS..Hα-helixtrans-57.3-33.7-179.4-70.6172.7000110.5L306 L310 I319 L321 W325 I326 H331L306-I323 HydrophobicContact CD1-CD1 3.92Å; L306-I323 HydrophobicContact CD2-CD1 4.01Å; L306-I323 HydrophobicContact CG-CD1 4.42Å; L310-I323 HydrophobicContact CD1-CD1 4.4Å; I319-I323 HydrophobicContact CG2-CD1 3.74Å; I319-I323 HydrophobicContact CG2-CG1 4.05Å; I319-I323 WeakPolarHBondContact O-CG1 3.08Å; I319-I323 PolarHBondContact O-N 2.59Å; L321-I323 VanDerWaalsContact C-N 3.34Å; L321-I323 PolarHBondContact O-N 3.49Å; I323-W325 PolarHBondContact O-N 2.98Å; I323-I326 WeakPolarHBondContact O-CB 3.47Å; I323-I326 PolarHBondContact O-N 3.49Å; I323-I326 VanDerWaalsContact O-N 3.14Å; I323-H331 PolarHBondContact O-NE2 3.28Å
324S82.3Confident73.7Confident9 Ų951.9 Ų51.96%0.06327%0.272CS..Hα-helixtrans-69.8-18.7-179.987.10000115.9E299 L321 L322E299-S324 WeakPolarHBondContact OE1-CB 3.32Å; E299-S324 PolarHBondContact OE1-OG 2.74Å; L321-S324 PolarHBondContact O-N 3.21Å; L321-S324 PolarHBondContact O-OG 3.39Å; L322-S324 PolarHBondContact O-N 3.05Å
325W87.9Confident75Confident58 Ų5843.8 Ų43.822%0.2224%0.236CC..Hα-helixtrans-89-16.6174.4-59-29.5000112.9L321 L322 I323 F399 F401 F403 A407 C409L321-W325 HydrophobicContact CD1-CZ2 3.85Å; L321-W325 HydrophobicContact CD2-CH2 3.87Å; L321-W325 HydrophobicContact CD2-CZ2 3.83Å; L321-W325 HydrophobicContact CG-CH2 3.82Å; L321-W325 HydrophobicContact CG-CZ2 3.62Å; L321-W325 HydrophobicContact CG-CZ3 4.39Å; L322-W325 HydrophobicContact CD1-CE3 4.17Å; L322-W325 PolarHBondContact O-N 3.19Å; I323-W325 PolarHBondContact O-N 2.98Å; W325-F399 HydrophobicContact CB-CE2 3.75Å; W325-F399 HydrophobicContact CB-CZ 3.74Å; W325-F399 WeakPolarHBondContact O-CE1 3.28Å; W325-F399 VanDerWaalsContact O-CZ 3.3Å; W325-F399 WeakPolarHBondContact O-CZ 3.44Å; W325-F401 HydrophobicContact CE3-CB 3.75Å; W325-F401 HydrophobicContact CE3-CG 4.38Å; W325-F401 HydrophobicContact CZ3-CB 3.55Å; W325-F401 HydrophobicContact CZ3-CG 4.29Å; W325-F403 HydrophobicContact CE3-CZ 4.41Å; W325-F403 AromaticContact CH2-CE1 3.91Å; W325-F403 HydrophobicContact CH2-CE1 3.91Å; W325-F403 HydrophobicContact CH2-CZ 4.25Å; W325-F403 AromaticContact CZ3-CE1 3.73Å; W325-F403 HydrophobicContact CZ3-CE1 3.73Å; W325-F403 HydrophobicContact CZ3-CE2 4.39Å; W325-F403 AromaticContact CZ3-CZ 3.59Å; W325-F403 HydrophobicContact CZ3-CZ 3.59Å; W325-A407 HydrophobicContact CH2-CB 4.09Å; W325-C409 HydrophobicContact CB-CB 4.46Å; W325-C409 HydrophobicContact CD2-CB 3.52Å; W325-C409 HydrophobicContact CE3-CB 3.96Å; W325-C409 HydrophobicContact CG-CB 3.76Å; W325-C409 HydrophobicContact CH2-CB 4.43Å; W325-C409 HydrophobicContact CZ2-CB 4.06Å; W325-C409 HydrophobicContact CZ3-CB 4.41Å
326I85.9Confident76.2Confident6 Ų646.7 Ų46.73%0.03125%0.25CC..SBendtrans-70.3145.2-179.8-65.4-177.9000109.7L322 I323 T328 Y330 H331 V362 F376 F399 F477L322-I326 PolarHBondContact O-N 3.36Å; I323-I326 WeakPolarHBondContact O-CB 3.47Å; I323-I326 PolarHBondContact O-N 3.49Å; I323-I326 VanDerWaalsContact O-N 3.14Å; I326-T328 PolarHBondContact O-N 3.04Å; I326-Y330 HydrophobicContact CG2-CD2 3.91Å; I326-Y330 HydrophobicContact CG2-CG 4.3Å; I326-H331 PolarHBondContact O-NE2 3.39Å; I326-V362 HydrophobicContact CD1-CG2 3.9Å; I326-F376 HydrophobicContact CG1-CD2 4.1Å; I326-F376 HydrophobicContact CG1-CE2 4.37Å; I326-F376 HydrophobicContact CG2-CD2 4.44Å; I326-F376 HydrophobicContact CG2-CE2 3.87Å; I326-F399 HydrophobicContact CG1-CZ 4.25Å; I326-F477 HydrophobicContact CD1-CE1 3.92Å; I326-F477 HydrophobicContact CD1-CE2 4.22Å; I326-F477 HydrophobicContact CD1-CZ 3.38Å; I326-F477 HydrophobicContact CG2-CE1 4.41Å
327P84.2Confident78Confident19 Ų1946.3 Ų46.312%0.12325%0.248CC..  trans-57.5133.3174.2-25.634.6000111.6R329 Y330 F376P327-R329 HydrophobicContact CB-CG 4.27Å; P327-R329 VanDerWaalsContact CB-NH1 3.35Å; P327-R329 PolarHBondContact O-N 3.24Å; P327-Y330 HydrophobicContact CB-CD2 3.94Å; P327-Y330 HydrophobicContact CB-CE2 4Å; P327-Y330 HydrophobicContact CG-CD2 4.25Å; P327-Y330 HydrophobicContact CG-CE2 4.15Å; P327-Y330 WeakPolarHBondContact O-CD2 2.99Å; P327-Y330 PolarHBondContact O-N 2.85Å; P327-F376 VanDerWaalsContact CD-CZ 3.47Å; P327-F376 HydrophobicContact CG-CE1 3.9Å; P327-F376 HydrophobicContact CG-CZ 3.9Å
328T78.4Confident79.6Confident22 Ų2242.6 Ų42.614%0.13522%0.22CC..G310 helixtrans-57.2-25.5-168.649.70000115.4D294 A295 I326 Y330 H331D294-T328 HydrophobicContact CB-CG2 3.54Å; A295-T328 HydrophobicContact CB-CG2 4.1Å; I326-T328 PolarHBondContact O-N 3.04Å; T328-Y330 PolarHBondContact O-N 3.48Å; T328-Y330 VanDerWaalsContact O-N 3.14Å; T328-H331 WeakPolarHBondContact O-CB 3.13Å; T328-H331 PolarHBondContact O-N 3.4Å
329R79.7Confident80.8Confident72 Ų7241.7 Ų41.727%0.27222%0.215SC..G310 helixtrans-58.1-21.8173.865.3-176.2-179.9-94.52.1113.9P327 E397P327-R329 HydrophobicContact CB-CG 4.27Å; P327-R329 VanDerWaalsContact CB-NH1 3.35Å; P327-R329 PolarHBondContact O-N 3.24Å; R329-E397 IonicContact CZ-OE1 3.55Å; R329-E397 IonicContact CZ-OE2 3.14Å; R329-E397 IonicContact NH1-OE1 3.53Å; R329-E397 PolarHBondContact NH1-OE1 3.02Å; R329-E397 IonicContact NH1-OE2 3.47Å; R329-E397 PolarHBondContact NH1-OE2 3.05Å; R329-E397 VanDerWaalsContact NH2-CD 3.32Å; R329-E397 IonicContact NH2-OE1 2.68Å; R329-E397 PolarHBondContact NH2-OE1 3.3Å; R329-E397 IonicContact NH2-OE2 2.71Å; R329-E397 PolarHBondContact NH2-OE2 2.81Å
330Y81.9Confident81.9Confident33 Ų3340.9 Ų40.913%0.12921%0.211CC..G310 helixtrans-97.6-4.7178.3-54.1-64.3000113.5I326 P327 T328 L332 V333 P360 F376 F477I326-Y330 HydrophobicContact CG2-CD2 3.91Å; I326-Y330 HydrophobicContact CG2-CG 4.3Å; P327-Y330 HydrophobicContact CB-CD2 3.94Å; P327-Y330 HydrophobicContact CB-CE2 4Å; P327-Y330 HydrophobicContact CG-CD2 4.25Å; P327-Y330 HydrophobicContact CG-CE2 4.15Å; P327-Y330 WeakPolarHBondContact O-CD2 2.99Å; P327-Y330 PolarHBondContact O-N 2.85Å; T328-Y330 PolarHBondContact O-N 3.48Å; T328-Y330 VanDerWaalsContact O-N 3.14Å; Y330-L332 PolarHBondContact O-N 3.38Å; Y330-V333 PolarHBondContact O-N 2.93Å; Y330-V333 VanDerWaalsContact O-N 3.13Å; Y330-P360 HydrophobicContact CD1-CG 3.85Å; Y330-P360 HydrophobicContact CD2-CG 3.92Å; Y330-P360 HydrophobicContact CE1-CG 3.5Å; Y330-P360 HydrophobicContact CE2-CB 4.24Å; Y330-P360 HydrophobicContact CE2-CG 3.56Å; Y330-P360 HydrophobicContact CG-CG 4.05Å; Y330-P360 WeakPolarHBondContact OH-CD 3.32Å; Y330-F376 HydrophobicContact CD2-CE2 4.4Å; Y330-F376 HydrophobicContact CD2-CZ 4.06Å; Y330-F376 AromaticContact CE2-CZ 3.82Å; Y330-F376 HydrophobicContact CE2-CZ 3.82Å; Y330-F477 HydrophobicContact CD1-CB 3.75Å; Y330-F477 HydrophobicContact CD1-CG 4.35Å; Y330-F477 HydrophobicContact CG-CB 4.2Å; Y330-F477 HydrophobicContact CG-CD1 4.41Å; Y330-F477 HydrophobicContact CG-CG 4.31Å
331H76.5Confident82.8Confident24 Ų2438.8 Ų38.811%0.11120%0.196CC..THydrogen-bonded Turntrans-69.3-19.4-176.7-66.8175.2000114.2A298 I323 I326 T328A298-H331 HydrophobicContact CB-CB 4.42Å; A298-H331 WeakPolarHBondContact CB-ND1 3.32Å; I323-H331 PolarHBondContact O-NE2 3.28Å; I326-H331 PolarHBondContact O-NE2 3.39Å; T328-H331 WeakPolarHBondContact O-CB 3.13Å; T328-H331 PolarHBondContact O-N 3.4Å
332L72.9Confident83Confident171 Ų17141 Ų4190%0.89521%0.212SC*.THydrogen-bonded Turntrans-91.4-5.6176.6-61179000112.7Y330Y330-L332 PolarHBondContact O-N 3.38Å
333V71.9Confident83.2Confident43 Ų4346.7 Ų46.726%0.26124%0.238SC..SBendtrans-99129.1178.3-172.80000108.8Y330 P335 F477Y330-V333 PolarHBondContact O-N 2.93Å; Y330-V333 VanDerWaalsContact O-N 3.13Å; V333-P335 VanDerWaalsContact O-CD 3.31Å; V333-P335 WeakPolarHBondContact O-CD 3.29Å; V333-F477 HydrophobicContact CB-CB 4.5Å; V333-F477 HydrophobicContact CG1-CB 4.43Å; V333-F477 WeakPolarHBondContact CG1-O 3.46Å
334T72Confident83.6Confident77 Ų7748.1 Ų48.147%0.47225%0.246SC..PPolyproline II helixtrans-68.4118.7171.7-57.10000108.7Q336T334-Q336 PolarHBondContact O-N 2.95Å
335P81.5Confident83.8Confident20 Ų2049.1 Ų49.113%0.1326%0.258CS..PPolyproline II helixtrans-60.5131.4178.1-17.528.7000110.3V333 F475 G476 F477V333-P335 VanDerWaalsContact O-CD 3.31Å; V333-P335 WeakPolarHBondContact O-CD 3.29Å; P335-F475 HydrophobicContact CB-CB 4.41Å; P335-F475 HydrophobicContact CB-CD1 4.45Å; P335-G476 WeakPolarHBondContact CA-O 3.25Å; P335-F477 HydrophobicContact CB-CD1 4.47Å; P335-F477 HydrophobicContact CB-CE1 4Å; P335-F477 HydrophobicContact CB-CZ 4.1Å; P335-F477 HydrophobicContact CG-CD1 4.3Å; P335-F477 HydrophobicContact CG-CE1 3.65Å; P335-F477 HydrophobicContact CG-CZ 4.09Å
336Q83.9Confident83.7Confident78 Ų7850.8 Ų50.836%0.36426%0.264SS..EExtended strand (participates in β ladder)trans-103.2133.2175.3-67.2-171.8-20.400109.8T334 L338 F475 G476T334-Q336 PolarHBondContact O-N 2.95Å; Q336-L338 PolarHBondContact O-N 3.32Å; Q336-F475 CarbonylContact O-C 3.53Å; Q336-F475 VanDerWaalsContact O-CA 3.22Å; Q336-F475 WeakPolarHBondContact O-CA 3.18Å; Q336-G476 PolarHBondContact N-O 2.94Å; Q336-G476 PolarHBondContact O-N 3.17Å
337K89.4Confident83.8Confident66 Ų6652.4 Ų52.429%0.28728%0.276SS..EExtended strand (participates in β ladder)trans-73.7111.3173.3-170.1175.968.1-174.10108.7E343 F475K337-E343 WeakPolarHBondContact CE-OE2 3.49Å; K337-E343 IonicContact NZ-OE1 3.43Å; K337-E343 PolarHBondContact NZ-OE1 2.79Å; K337-E343 IonicContact NZ-OE2 2.74Å; K337-E343 PolarHBondContact NZ-OE2 3.02Å; K337-F475 HydrophobicContact CB-CD1 4.01Å; K337-F475 HydrophobicContact CB-CE1 3.78Å; K337-F475 HydrophobicContact CD-CE1 4.45Å; K337-F475 HydrophobicContact CG-CD1 4.46Å; K337-F475 HydrophobicContact CG-CE1 4.04Å; K337-F475 HydrophobicContact CG-CZ 4.34Å
338L91.9Very high84Confident21 Ų2151.8 Ų51.811%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-87.4-37.4-178.6-58.9176.7000111.7Q336 K354 I355 C358 T361 V474Q336-L338 PolarHBondContact O-N 3.32Å; L338-K354 WeakPolarHBondContact O-CD 3.3Å; L338-I355 HydrophobicContact CB-CG2 3.95Å; L338-I355 HydrophobicContact CD1-CG2 4.21Å; L338-C358 HydrophobicContact CD1-CB 3.54Å; L338-T361 HydrophobicContact CD1-CG2 4.19Å; L338-V474 PolarHBondContact N-O 3.31Å
339F92.8Very high84.5Confident1 Ų156 Ų560%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-146.5144-177177.1-91000111.1V341 D344 G345 T350 L351 K354 I355 L445 F472 E473 V474F339-V341 HydrophobicContact CE1-CG1 3.78Å; F339-V341 HydrophobicContact CZ-CG1 4.25Å; F339-D344 VanDerWaalsContact CA-OD2 3.27Å; F339-D344 WeakPolarHBondContact CA-OD2 3.36Å; F339-D344 HydrophobicContact CD2-CB 3.67Å; F339-D344 HydrophobicContact CE2-CB 3.52Å; F339-D344 HydrophobicContact CZ-CB 4.32Å; F339-G345 VanDerWaalsContact CZ-O 3.29Å; F339-G345 WeakPolarHBondContact CZ-O 2.94Å; F339-T350 HydrophobicContact CE2-CG2 4.12Å; F339-L351 HydrophobicContact CB-CD1 4.02Å; F339-L351 HydrophobicContact CD1-CD1 3.43Å; F339-L351 VanDerWaalsContact CD1-CD1 3.43Å; F339-L351 HydrophobicContact CD2-CB 4.27Å; F339-L351 HydrophobicContact CD2-CD1 4.05Å; F339-L351 HydrophobicContact CE1-CB 4.47Å; F339-L351 HydrophobicContact CE1-CD1 3.81Å; F339-L351 HydrophobicContact CE2-CB 4.02Å; F339-L351 HydrophobicContact CE2-CD1 4.38Å; F339-L351 HydrophobicContact CG-CD1 3.55Å; F339-L351 HydrophobicContact CZ-CB 4.12Å; F339-L351 HydrophobicContact CZ-CD1 4.26Å; F339-K354 HydrophobicContact CD2-CD 4.42Å; F339-I355 HydrophobicContact CB-CG2 4.25Å; F339-L445 HydrophobicContact CE1-CD1 3.88Å; F339-L445 HydrophobicContact CZ-CD1 3.66Å; F339-F472 HydrophobicContact CD1-CD1 4.26Å; F339-F472 HydrophobicContact CD1-CE1 4.23Å; F339-F472 AromaticContact CE1-CD1 3.86Å; F339-F472 HydrophobicContact CE1-CD1 3.86Å; F339-F472 HydrophobicContact CE1-CE1 4.06Å; F339-E473 CarbonylContact O-C 3.53Å; F339-E473 VanDerWaalsContact O-CA 3.27Å; F339-E473 WeakPolarHBondContact O-CA 3.4Å; F339-V474 HydrophobicContact CB-CB 4.17Å; F339-V474 HydrophobicContact CB-CG2 4.33Å; F339-V474 HydrophobicContact CD1-CG2 4.39Å; F339-V474 PolarHBondContact N-O 2.79Å; F339-V474 PolarHBondContact O-N 3.13Å
340S91.6Very high85.1Confident1 Ų154.7 Ų54.71%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-142.7134.3167176.90000110.8V342 E343 D344 F472S340-V342 PolarHBondContact O-N 2.97Å; S340-V342 VanDerWaalsContact O-N 3.12Å; S340-V342 PolarHBondContact OG-N 3.44Å; S340-E343 PolarHBondContact O-N 3.25Å; S340-E343 VanDerWaalsContact O-N 3.14Å; S340-D344 PolarHBondContact N-OD2 2.98Å; S340-D344 WeakPolarHBondContact O-CA 3.29Å; S340-D344 VanDerWaalsContact O-CB 3.3Å; S340-D344 WeakPolarHBondContact O-CB 3.11Å; S340-D344 PolarHBondContact O-N 3.01Å; S340-F472 WeakPolarHBondContact CA-O 3.39Å
341V87.7Confident85.6Confident11 Ų1153.1 Ų53.17%0.06729%0.291CS..THydrogen-bonded Turntrans-61.6-20.6173.8-63.90000113.5F339 G345 R346 L445 F472F339-V341 HydrophobicContact CE1-CG1 3.78Å; F339-V341 HydrophobicContact CZ-CG1 4.25Å; V341-G345 WeakPolarHBondContact O-CA 3.12Å; V341-G345 PolarHBondContact O-N 2.66Å; V341-R346 HydrophobicContact CB-CG 4.1Å; V341-R346 HydrophobicContact CG1-CG 4.26Å; V341-L445 HydrophobicContact CG1-CB 4.27Å; V341-L445 HydrophobicContact CG1-CD1 4.28Å; V341-F472 HydrophobicContact CG1-CB 3.79Å; V341-F472 HydrophobicContact CG1-CD1 3.94Å; V341-F472 HydrophobicContact CG1-CG 4.36Å; V341-F472 HydrophobicContact CG2-CB 4.29Å; V341-F472 VanDerWaalsContact CG2-N 3.29Å; V341-F472 PolarHBondContact N-O 2.95Å
342V86Confident86.4Confident111 Ų11152.3 Ų52.367%0.67329%0.287SS*.THydrogen-bonded Turntrans-77.5-38.1177.5-179.30000111S340S340-V342 PolarHBondContact O-N 2.97Å; S340-V342 VanDerWaalsContact O-N 3.12Å; S340-V342 PolarHBondContact OG-N 3.44Å
343E88.6Confident87.4Confident126 Ų12648.4 Ų48.459%0.58927%0.274SS*.THydrogen-bonded Turntrans-96.3-36.5-175.2-65.7175.1176.400112.7K337 S340K337-E343 WeakPolarHBondContact CE-OE2 3.49Å; K337-E343 IonicContact NZ-OE1 3.43Å; K337-E343 PolarHBondContact NZ-OE1 2.79Å; K337-E343 IonicContact NZ-OE2 2.74Å; K337-E343 PolarHBondContact NZ-OE2 3.02Å; S340-E343 PolarHBondContact O-N 3.25Å; S340-E343 VanDerWaalsContact O-N 3.14Å
344D88.1Confident88.4Confident41 Ų4150.4 Ų50.422%0.21928%0.279CS..THydrogen-bonded Turntrans-107.5-5.1-171.4-59.5-44.7000113.7F339 S340 T350 K354F339-D344 VanDerWaalsContact CA-OD2 3.27Å; F339-D344 WeakPolarHBondContact CA-OD2 3.36Å; F339-D344 HydrophobicContact CD2-CB 3.67Å; F339-D344 HydrophobicContact CE2-CB 3.52Å; F339-D344 HydrophobicContact CZ-CB 4.32Å; S340-D344 PolarHBondContact N-OD2 2.98Å; S340-D344 WeakPolarHBondContact O-CA 3.29Å; S340-D344 VanDerWaalsContact O-CB 3.3Å; S340-D344 WeakPolarHBondContact O-CB 3.11Å; S340-D344 PolarHBondContact O-N 3.01Å; D344-T350 HydrophobicContact CB-CG2 4.07Å; D344-K354 WeakPolarHBondContact OD1-CE 3.43Å; D344-K354 IonicContact OD1-NZ 3.88Å; D344-K354 PolarHBondContact OD1-NZ 3.14Å; D344-K354 IonicContact OD2-NZ 3.3Å; D344-K354 PolarHBondContact OD2-NZ 2.65Å
345G85.9Confident89.4Confident30 Ų3046.7 Ų46.731%0.30926%0.256SS..  trans75.5-173.6-178.100000114.2F339 V341 S347F339-G345 VanDerWaalsContact CZ-O 3.29Å; F339-G345 WeakPolarHBondContact CZ-O 2.94Å; V341-G345 WeakPolarHBondContact O-CA 3.12Å; V341-G345 PolarHBondContact O-N 2.66Å; G345-S347 PolarHBondContact O-N 3.4Å
346R87.4Confident89.9Confident94 Ų9446.9 Ų46.936%0.35526%0.255SS..SBendtrans-105.271.9-167.6-80.3-169-166.7-111.89.4111.8V341 T444 L445 I469V341-R346 HydrophobicContact CB-CG 4.1Å; V341-R346 HydrophobicContact CG1-CG 4.26Å; R346-T444 VanDerWaalsContact CB-O 3.24Å; R346-T444 WeakPolarHBondContact CB-O 3.31Å; R346-L445 PolarHBondContact NH1-O 3.36Å; R346-I469 VanDerWaalsContact CZ-O 3.32Å; R346-I469 PolarHBondContact NH1-O 3.41Å; R346-I469 PolarHBondContact NH2-O 3.3Å
347S86.6Confident90.2Very high39 Ų3948.9 Ų48.927%0.27327%0.269SS..  trans-143.1124.8-177.2173.90000112.2G345 T349 T350 L351G345-S347 PolarHBondContact O-N 3.4Å; S347-T349 PolarHBondContact O-N 3.34Å; S347-T349 PolarHBondContact OG-N 3.23Å; S347-T350 PolarHBondContact O-N 2.88Å; S347-T350 PolarHBondContact OG-N 3.4Å; S347-L351 PolarHBondContact O-N 3.17Å
348F89Confident90.1Very high6 Ų646.6 Ų46.63%0.02626%0.261CS..Hα-helixtrans-61.9-32.4170.9-90-78.4000112.2T350 L351 W352 A432 T433 L435 I441 Q443 L445F348-T350 VanDerWaalsContact C-N 3.34Å; F348-T350 PolarHBondContact O-N 2.65Å; F348-L351 HydrophobicContact CD1-CD2 3.76Å; F348-L351 HydrophobicContact CE1-CD2 3.93Å; F348-L351 PolarHBondContact O-N 2.96Å; F348-W352 AromaticContact CD1-CE2 3.58Å; F348-W352 HydrophobicContact CD1-CH2 4.41Å; F348-W352 AromaticContact CD1-CZ2 3.49Å; F348-W352 HydrophobicContact CD1-CZ2 3.49Å; F348-W352 VanDerWaalsContact CD1-CZ2 3.49Å; F348-W352 AromaticContact CD1-NE1 3.54Å; F348-W352 HydrophobicContact CE1-CH2 4.38Å; F348-W352 AromaticContact CE1-CZ2 3.73Å; F348-W352 HydrophobicContact CE1-CZ2 3.73Å; F348-W352 WeakPolarHBondContact O-CB 3.44Å; F348-W352 PolarHBondContact O-N 3.02Å; F348-A432 WeakPolarHBondContact CB-O 3.48Å; F348-T433 WeakPolarHBondContact CE2-O 3.27Å; F348-L435 HydrophobicContact CE1-CB 3.77Å; F348-L435 HydrophobicContact CZ-CB 4.21Å; F348-I441 HydrophobicContact CE2-CG2 4.44Å; F348-I441 HydrophobicContact CZ-CB 4.31Å; F348-I441 HydrophobicContact CZ-CG2 4.03Å; F348-Q443 WeakPolarHBondContact CD2-O 3.41Å; F348-L445 HydrophobicContact CD1-CD2 4.05Å; F348-L445 HydrophobicContact CD2-CD2 3.84Å; F348-L445 HydrophobicContact CD2-CG 4.16Å; F348-L445 HydrophobicContact CE1-CD2 3.68Å; F348-L445 HydrophobicContact CE2-CD2 3.46Å; F348-L445 VanDerWaalsContact CE2-CD2 3.46Å; F348-L445 HydrophobicContact CE2-CG 4.13Å; F348-L445 HydrophobicContact CG-CD2 4.13Å; F348-L445 HydrophobicContact CZ-CD2 3.39Å; F348-L445 HydrophobicContact CZ-CG 4.5Å
349T89.2Confident90Very high110 Ų11049.5 Ų49.568%0.67527%0.271SS*.Hα-helixtrans-60.5-46.6176.6-54.10000110.7S347 S353S347-T349 PolarHBondContact O-N 3.34Å; S347-T349 PolarHBondContact OG-N 3.23Å; T349-S353 WeakPolarHBondContact O-CB 3.18Å; T349-S353 PolarHBondContact O-N 2.75Å
350T91.3Very high90Very high45 Ų4549.5 Ų49.528%0.27627%0.271SS..Hα-helixtrans-66.2-46.3177-500000110.7F339 D344 S347 F348 W352 S353 K354F339-T350 HydrophobicContact CE2-CG2 4.12Å; D344-T350 HydrophobicContact CB-CG2 4.07Å; S347-T350 PolarHBondContact O-N 2.88Å; S347-T350 PolarHBondContact OG-N 3.4Å; F348-T350 VanDerWaalsContact C-N 3.34Å; F348-T350 PolarHBondContact O-N 2.65Å; T350-W352 PolarHBondContact O-N 3.13Å; T350-S353 PolarHBondContact O-N 2.81Å; T350-S353 PolarHBondContact O-OG 3.1Å; T350-K354 PolarHBondContact O-N 2.99Å
351L93.8Very high90.1Very high0 Ų049.4 Ų49.40%027%0.271CS..Hα-helixtrans-51.3-56.4175.6177.268.8000111.1F339 S347 F348 S353 K354 I355 L445 F472 V474F339-L351 HydrophobicContact CB-CD1 4.02Å; F339-L351 HydrophobicContact CD1-CD1 3.43Å; F339-L351 VanDerWaalsContact CD1-CD1 3.43Å; F339-L351 HydrophobicContact CD2-CB 4.27Å; F339-L351 HydrophobicContact CD2-CD1 4.05Å; F339-L351 HydrophobicContact CE1-CB 4.47Å; F339-L351 HydrophobicContact CE1-CD1 3.81Å; F339-L351 HydrophobicContact CE2-CB 4.02Å; F339-L351 HydrophobicContact CE2-CD1 4.38Å; F339-L351 HydrophobicContact CG-CD1 3.55Å; F339-L351 HydrophobicContact CZ-CB 4.12Å; F339-L351 HydrophobicContact CZ-CD1 4.26Å; S347-L351 PolarHBondContact O-N 3.17Å; F348-L351 HydrophobicContact CD1-CD2 3.76Å; F348-L351 HydrophobicContact CE1-CD2 3.93Å; F348-L351 PolarHBondContact O-N 2.96Å; L351-S353 VanDerWaalsContact C-N 3.35Å; L351-S353 PolarHBondContact O-N 3.34Å; L351-K354 PolarHBondContact O-N 3.33Å; L351-K354 VanDerWaalsContact O-N 3.14Å; L351-I355 HydrophobicContact CD1-CD1 3.68Å; L351-I355 HydrophobicContact CD1-CG1 4.42Å; L351-I355 HydrophobicContact CD1-CG2 4.35Å; L351-I355 HydrophobicContact CD2-CD1 4.41Å; L351-I355 HydrophobicContact CG-CD1 3.8Å; L351-I355 HydrophobicContact CG-CG1 4.38Å; L351-I355 WeakPolarHBondContact O-CG1 3.38Å; L351-I355 PolarHBondContact O-N 3.22Å; L351-I355 VanDerWaalsContact O-N 3.1Å; L351-L445 HydrophobicContact CB-CD1 4.35Å; L351-L445 HydrophobicContact CD2-CD1 4.4Å; L351-L445 HydrophobicContact CD2-CD2 4.05Å; L351-F472 HydrophobicContact CD1-CE1 3.83Å; L351-F472 HydrophobicContact CD1-CZ 4.28Å; L351-F472 HydrophobicContact CD2-CE1 3.97Å; L351-F472 HydrophobicContact CD2-CZ 4.43Å; L351-V474 HydrophobicContact CD1-CG2 3.83Å
352W93.1Very high90.4Very high7 Ų749 Ų493%0.02727%0.268CS..Hα-helixtrans-61.3-43.2-178.7-61.5134.3000111.7F348 T350 K354 I355 E356 W381 A430 D431 A432 L435F348-W352 AromaticContact CD1-CE2 3.58Å; F348-W352 HydrophobicContact CD1-CH2 4.41Å; F348-W352 AromaticContact CD1-CZ2 3.49Å; F348-W352 HydrophobicContact CD1-CZ2 3.49Å; F348-W352 VanDerWaalsContact CD1-CZ2 3.49Å; F348-W352 AromaticContact CD1-NE1 3.54Å; F348-W352 HydrophobicContact CE1-CH2 4.38Å; F348-W352 AromaticContact CE1-CZ2 3.73Å; F348-W352 HydrophobicContact CE1-CZ2 3.73Å; F348-W352 WeakPolarHBondContact O-CB 3.44Å; F348-W352 PolarHBondContact O-N 3.02Å; T350-W352 PolarHBondContact O-N 3.13Å; W352-K354 PolarHBondContact O-N 3Å; W352-I355 HydrophobicContact CE3-CD1 4.1Å; W352-I355 HydrophobicContact CE3-CG1 4.06Å; W352-I355 HydrophobicContact CZ3-CD1 3.96Å; W352-I355 HydrophobicContact CZ3-CG1 4.36Å; W352-I355 PolarHBondContact O-N 3.11Å; W352-E356 WeakPolarHBondContact O-CB 3.3Å; W352-E356 PolarHBondContact O-N 3.24Å; W352-W381 HydrophobicContact CE3-CB 4.12Å; W352-W381 HydrophobicContact CE3-CG 4.43Å; W352-W381 HydrophobicContact CH2-CD2 4.3Å; W352-W381 AromaticContact CH2-CE3 3.69Å; W352-W381 HydrophobicContact CH2-CE3 3.69Å; W352-W381 HydrophobicContact CH2-CZ3 4.05Å; W352-W381 HydrophobicContact CZ3-CB 3.92Å; W352-W381 AromaticContact CZ3-CD2 3.64Å; W352-W381 HydrophobicContact CZ3-CD2 3.64Å; W352-W381 AromaticContact CZ3-CE3 3.47Å; W352-W381 HydrophobicContact CZ3-CE3 3.47Å; W352-W381 VanDerWaalsContact CZ3-CE3 3.47Å; W352-W381 AromaticContact CZ3-CG 3.85Å; W352-W381 HydrophobicContact CZ3-CG 3.85Å; W352-W381 HydrophobicContact CZ3-CZ3 4.23Å; W352-A430 HydrophobicContact CH2-CB 3.53Å; W352-A430 HydrophobicContact CZ2-CB 3.76Å; W352-A430 HydrophobicContact CZ3-CB 4.44Å; W352-D431 PolarHBondContact NE1-O 3Å; W352-D431 VanDerWaalsContact NE1-O 3.12Å; W352-A432 PolarHBondContact NE1-O 2.86Å; W352-L435 HydrophobicContact CH2-CB 4.02Å; W352-L435 HydrophobicContact CH2-CD1 3.87Å; W352-L435 HydrophobicContact CH2-CG 4.25Å; W352-L435 HydrophobicContact CZ2-CB 4.37Å; W352-L435 HydrophobicContact CZ3-CD1 4.36Å
353S92.5Very high90.9Very high90 Ų9043.8 Ų43.863%0.62924%0.236SC*.Hα-helixtrans-57.7-25.6179.272.50000114T349 T350 L351T349-S353 WeakPolarHBondContact O-CB 3.18Å; T349-S353 PolarHBondContact O-N 2.75Å; T350-S353 PolarHBondContact O-N 2.81Å; T350-S353 PolarHBondContact O-OG 3.1Å; L351-S353 VanDerWaalsContact C-N 3.35Å; L351-S353 PolarHBondContact O-N 3.34Å
354K93.4Very high91.1Very high84 Ų8438 Ų3837%0.36521%0.209SC..Hα-helixtrans-95-28.8-179.5-66.8-155178.6-170.30114.9L338 F339 D344 T350 L351 W352L338-K354 WeakPolarHBondContact O-CD 3.3Å; F339-K354 HydrophobicContact CD2-CD 4.42Å; D344-K354 WeakPolarHBondContact OD1-CE 3.43Å; D344-K354 IonicContact OD1-NZ 3.88Å; D344-K354 PolarHBondContact OD1-NZ 3.14Å; D344-K354 IonicContact OD2-NZ 3.3Å; D344-K354 PolarHBondContact OD2-NZ 2.65Å; T350-K354 PolarHBondContact O-N 2.99Å; L351-K354 PolarHBondContact O-N 3.33Å; L351-K354 VanDerWaalsContact O-N 3.14Å; W352-K354 PolarHBondContact O-N 3Å
355I93.9Very high91.3Very high0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-115.7-5.2-170.378.5175.5000114.1L338 F339 L351 W352 D357 C358 W381 V474L338-I355 HydrophobicContact CB-CG2 3.95Å; L338-I355 HydrophobicContact CD1-CG2 4.21Å; F339-I355 HydrophobicContact CB-CG2 4.25Å; L351-I355 HydrophobicContact CD1-CD1 3.68Å; L351-I355 HydrophobicContact CD1-CG1 4.42Å; L351-I355 HydrophobicContact CD1-CG2 4.35Å; L351-I355 HydrophobicContact CD2-CD1 4.41Å; L351-I355 HydrophobicContact CG-CD1 3.8Å; L351-I355 HydrophobicContact CG-CG1 4.38Å; L351-I355 WeakPolarHBondContact O-CG1 3.38Å; L351-I355 PolarHBondContact O-N 3.22Å; L351-I355 VanDerWaalsContact O-N 3.1Å; W352-I355 HydrophobicContact CE3-CD1 4.1Å; W352-I355 HydrophobicContact CE3-CG1 4.06Å; W352-I355 HydrophobicContact CZ3-CD1 3.96Å; W352-I355 HydrophobicContact CZ3-CG1 4.36Å; W352-I355 PolarHBondContact O-N 3.11Å; I355-D357 VanDerWaalsContact C-N 3.33Å; I355-D357 PolarHBondContact O-N 2.87Å; I355-C358 PolarHBondContact O-N 2.82Å; I355-C358 VanDerWaalsContact O-N 3.11Å; I355-W381 HydrophobicContact CD1-CD2 4.36Å; I355-W381 HydrophobicContact CD1-CG 4Å; I355-W381 HydrophobicContact CG1-CB 4.37Å; I355-W381 HydrophobicContact CG1-CG 4.1Å; I355-V474 HydrophobicContact CD1-CG1 4.36Å; I355-V474 HydrophobicContact CD1-CG2 4.49Å; I355-V474 HydrophobicContact CG2-CB 4.19Å; I355-V474 HydrophobicContact CG2-CG1 3.93Å
356E90.7Very high91.6Very high23 Ų2335.7 Ų35.711%0.10719%0.189CC..THydrogen-bonded Turntrans-56.4-44.9-169.7-175.3154.7-125.400112.9W352 W381 V382 R384 K385W352-E356 WeakPolarHBondContact O-CB 3.3Å; W352-E356 PolarHBondContact O-N 3.24Å; E356-W381 CarbonylContact O-C 3.55Å; E356-W381 PolarHBondContact O-N 3.04Å; E356-V382 VanDerWaalsContact CG-CA 3.49Å; E356-V382 HydrophobicContact CG-CB 3.58Å; E356-V382 HydrophobicContact CG-CG2 3.87Å; E356-V382 WeakPolarHBondContact O-CB 3.4Å; E356-V382 PolarHBondContact O-N 3.39Å; E356-R384 IonicContact OE1-CZ 3.41Å; E356-R384 VanDerWaalsContact OE1-CZ 3.3Å; E356-R384 IonicContact OE1-NE 2.7Å; E356-R384 PolarHBondContact OE1-NE 2.87Å; E356-R384 IonicContact OE1-NH2 3.46Å; E356-R384 PolarHBondContact OE1-NH2 3.37Å; E356-R384 IonicContact OE2-NH2 2.77Å; E356-K385 WeakPolarHBondContact OE1-CD 2.95Å; E356-K385 WeakPolarHBondContact OE1-CE 3.14Å; E356-K385 IonicContact OE1-NZ 3.48Å; E356-K385 PolarHBondContact OE1-NZ 2.98Å; E356-K385 VanDerWaalsContact OE1-NZ 3.1Å; E356-K385 IonicContact OE2-NZ 3.48Å; E356-K385 PolarHBondContact OE2-NZ 3.37Å
357D90.2Very high91.7Very high120 Ų12031.2 Ų31.264%0.64217%0.172SC*.THydrogen-bonded Turntrans-95.51.6-179.6-62.1-52.1000113.5I355I355-D357 VanDerWaalsContact C-N 3.33Å; I355-D357 PolarHBondContact O-N 2.87Å
358C89Confident91.8Very high18 Ų1832.2 Ų32.212%0.12218%0.177CC..  trans-87.4134.8179.9-58.80000111.6L338 I355 T361L338-C358 HydrophobicContact CD1-CB 3.54Å; I355-C358 PolarHBondContact O-N 2.82Å; I355-C358 VanDerWaalsContact O-N 3.11Å; C358-T361 HydrophobicContact CB-CG2 4.07Å
359Y89.2Confident91.7Very high82 Ų8238.3 Ų38.332%0.32220%0.2SC..  trans-158.3150.8169.367.9-72.3000110.5D103 A380D103-Y359 HydrophobicContact CB-CE2 4.37Å; D103-Y359 WeakPolarHBondContact CB-OH 3.3Å; Y359-A380 HydrophobicContact CD1-CB 3.84Å; Y359-A380 HydrophobicContact CG-CB 4.15Å
360P92.5Very high91.5Very high1 Ų138.7 Ų38.71%0.00619%0.192CC..SBendcis-67.1165.2-1337.3-40.7000110Y330 F376 C377 F477Y330-P360 HydrophobicContact CD1-CG 3.85Å; Y330-P360 HydrophobicContact CD2-CG 3.92Å; Y330-P360 HydrophobicContact CE1-CG 3.5Å; Y330-P360 HydrophobicContact CE2-CB 4.24Å; Y330-P360 HydrophobicContact CE2-CG 3.56Å; Y330-P360 HydrophobicContact CG-CG 4.05Å; Y330-P360 WeakPolarHBondContact OH-CD 3.32Å; P360-F376 HydrophobicContact CB-CE1 4.12Å; P360-F376 HydrophobicContact CB-CE2 3.65Å; P360-F376 HydrophobicContact CB-CZ 3.33Å; P360-F376 HydrophobicContact CG-CE2 3.89Å; P360-F376 HydrophobicContact CG-CZ 3.78Å; P360-C377 WeakPolarHBondContact CA-O 3.33Å; P360-C377 WeakPolarHBondContact CB-O 3.44Å; P360-F477 HydrophobicContact CG-CB 4.1Å; P360-F477 HydrophobicContact CG-CD2 3.83Å; P360-F477 HydrophobicContact CG-CG 4.24Å
361T93.9Very high91.4Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-125.4143.6173.752.70000110.9L338 C358 C377 W381 V474 F475L338-T361 HydrophobicContact CD1-CG2 4.19Å; C358-T361 HydrophobicContact CB-CG2 4.07Å; T361-C377 PolarHBondContact N-O 3.18Å; T361-C377 PolarHBondContact O-N 3.03Å; T361-W381 PolarHBondContact OG1-NE1 3.18Å; T361-V474 HydrophobicContact CG2-CG1 4.13Å; T361-F475 CarbonylContact C-O 3.48Å; T361-F475 VanDerWaalsContact CA-O 3.26Å; T361-F475 WeakPolarHBondContact CA-O 3.45Å
362V94.6Very high91.3Very high3 Ų338.2 Ų38.22%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-105.9118.4169.9164.80000107.6L322 I326 F376 F401 V474 F475 F477L322-V362 HydrophobicContact CD2-CG1 3.77Å; I326-V362 HydrophobicContact CD1-CG2 3.9Å; V362-F376 HydrophobicContact CG2-CD2 3.68Å; V362-F376 HydrophobicContact CG2-CE2 4.41Å; V362-F401 HydrophobicContact CG1-CE1 4.38Å; V362-F401 HydrophobicContact CG1-CZ 4.13Å; V362-V474 VanDerWaalsContact O-CA 3.31Å; V362-V474 WeakPolarHBondContact O-CA 3.39Å; V362-F475 HydrophobicContact CB-CB 4.31Å; V362-F475 PolarHBondContact N-O 2.95Å; V362-F475 PolarHBondContact O-N 3.42Å; V362-F477 HydrophobicContact CB-CE2 4.32Å; V362-F477 HydrophobicContact CG2-CE2 3.63Å; V362-F477 HydrophobicContact CG2-CZ 3.99Å
363L95.4Very high91.3Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-88.3117.5170.3-54.8-174.7000107.9G374 A375 W381 F401 L435 V437 F472 V474L363-G374 CarbonylContact O-C 3.54Å; L363-G374 WeakPolarHBondContact O-CA 3.46Å; L363-A375 HydrophobicContact CB-CB 4.47Å; L363-A375 HydrophobicContact CD1-CB 4.36Å; L363-A375 PolarHBondContact N-O 3.2Å; L363-A375 PolarHBondContact O-N 3.42Å; L363-W381 HydrophobicContact CD1-CH2 4.13Å; L363-W381 HydrophobicContact CD1-CZ2 3.89Å; L363-W381 HydrophobicContact CD2-CZ2 4.07Å; L363-W381 HydrophobicContact CG-CZ2 4.29Å; L363-F401 WeakPolarHBondContact O-CZ 3.43Å; L363-L435 HydrophobicContact CD1-CD1 3.88Å; L363-L435 HydrophobicContact CD1-CD2 3.63Å; L363-L435 HydrophobicContact CD1-CG 4.35Å; L363-L435 HydrophobicContact CD2-CD1 4.41Å; L363-V437 HydrophobicContact CD1-CG2 4.21Å; L363-F472 HydrophobicContact CB-CE2 4.13Å; L363-F472 HydrophobicContact CD2-CE2 4.16Å; L363-F472 HydrophobicContact CD2-CZ 4.13Å; L363-V474 HydrophobicContact CD2-CB 4.44Å; L363-V474 HydrophobicContact CD2-CG1 3.99Å; L363-V474 HydrophobicContact CD2-CG2 3.68Å
364L93.2Very high91.4Very high4 Ų433.6 Ų33.62%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-115.1121.3177.3-170.769.3000109.3Y315 L322 I372 F401 F472 E473 F475Y315-L364 HydrophobicContact CD2-CD2 4.12Å; Y315-L364 HydrophobicContact CE2-CD2 4.26Å; Y315-L364 HydrophobicContact CG-CD2 4.38Å; L322-L364 HydrophobicContact CD2-CD1 4.43Å; L364-I372 HydrophobicContact CD1-CG2 3.68Å; L364-I372 HydrophobicContact CG-CG2 4.36Å; L364-F401 HydrophobicContact CD1-CE2 3.91Å; L364-F401 HydrophobicContact CD1-CZ 4.22Å; L364-F472 WeakPolarHBondContact O-CA 3.07Å; L364-E473 HydrophobicContact CB-CB 4.49Å; L364-E473 PolarHBondContact N-O 2.84Å; L364-E473 PolarHBondContact O-N 2.68Å; L364-F475 HydrophobicContact CB-CE2 4.26Å; L364-F475 HydrophobicContact CD2-CE2 4.02Å
365I92.9Very high91.6Very high0 Ų029.6 Ų29.60%014%0.139CC..EExtended strand (participates in β ladder)trans-120.5129.4-177-57.7162.3000108.4I372 F373 L439 I441 F467 I469 F472I365-I372 WeakPolarHBondContact O-CA 3.46Å; I365-F373 HydrophobicContact CB-CD2 4.45Å; I365-F373 HydrophobicContact CB-CE2 4.13Å; I365-F373 HydrophobicContact CB-CZ 4.25Å; I365-F373 HydrophobicContact CD1-CD2 4.32Å; I365-F373 HydrophobicContact CD1-CE2 3.79Å; I365-F373 HydrophobicContact CD1-CZ 4.49Å; I365-F373 HydrophobicContact CG2-CE1 4.33Å; I365-F373 HydrophobicContact CG2-CE2 4.18Å; I365-F373 HydrophobicContact CG2-CZ 3.86Å; I365-F373 PolarHBondContact N-O 2.89Å; I365-F373 PolarHBondContact O-N 3.46Å; I365-L439 HydrophobicContact CD1-CD1 3.85Å; I365-L439 HydrophobicContact CD1-CD2 3.81Å; I365-I441 HydrophobicContact CD1-CD1 3.82Å; I365-I441 HydrophobicContact CD1-CG1 4.46Å; I365-I441 HydrophobicContact CG1-CD1 4.35Å; I365-F467 HydrophobicContact CG2-CD2 4.46Å; I365-F467 HydrophobicContact CG2-CE2 3.96Å; I365-I469 HydrophobicContact CG2-CG1 4.13Å; I365-I469 HydrophobicContact CG2-CG2 4.48Å; I365-F472 HydrophobicContact CG1-CD2 3.7Å; I365-F472 HydrophobicContact CG1-CE2 4.22Å
366Q90.7Very high91.7Very high23 Ų2329.6 Ų29.611%0.10714%0.139CC..EExtended strand (participates in β ladder)trans-112.2127.2165.6-179.3-179.2-41.800109.4Y315 Q371 I372 E470 A471Y315-Q366 PolarHBondContact OH-OE1 3.24Å; Q366-Q371 WeakPolarHBondContact CA-O 3.46Å; Q366-I372 HydrophobicContact CB-CG1 4.33Å; Q366-I372 HydrophobicContact CG-CG1 4.24Å; Q366-E470 PolarHBondContact NE2-OE2 3.04Å; Q366-E470 PolarHBondContact O-N 3.1Å; Q366-A471 HydrophobicContact CB-CB 4.15Å; Q366-A471 PolarHBondContact N-O 3.27Å; Q366-A471 PolarHBondContact O-N 3.2Å; Q366-A471 VanDerWaalsContact O-N 3.17Å
367T89.9Confident91.9Very high0 Ų028.5 Ų28.50%013%0.134CC..EExtended strand (participates in β ladder)trans-80.5163.817468.50000111.7W369 K370 Q371 F373 V462 F467 E468T367-W369 PolarHBondContact O-N 3.27Å; T367-W369 VanDerWaalsContact O-N 3.16Å; T367-W369 PolarHBondContact OG1-N 2.97Å; T367-K370 WeakPolarHBondContact O-CA 3.43Å; T367-K370 PolarHBondContact O-N 3.38Å; T367-Q371 HydrophobicContact CG2-CB 4.31Å; T367-Q371 PolarHBondContact N-O 3.22Å; T367-Q371 WeakPolarHBondContact OG1-CB 3.37Å; T367-Q371 PolarHBondContact OG1-N 2.94Å; T367-Q371 VanDerWaalsContact OG1-N 3.17Å; T367-Q371 PolarHBondContact OG1-OE1 3.26Å; T367-F373 HydrophobicContact CG2-CD1 4.49Å; T367-F373 HydrophobicContact CG2-CE1 3.47Å; T367-F373 VanDerWaalsContact CG2-CE1 3.47Å; T367-F373 HydrophobicContact CG2-CZ 4.1Å; T367-V462 HydrophobicContact CG2-CG1 4.32Å; T367-F467 HydrophobicContact CG2-CB 3.71Å; T367-F467 HydrophobicContact CG2-CD2 4.06Å; T367-F467 HydrophobicContact CG2-CG 3.99Å; T367-E468 VanDerWaalsContact CA-O 3.27Å; T367-E468 WeakPolarHBondContact CA-O 3.44Å
368T88.4Confident91.9Very high61 Ų6123.2 Ų23.237%0.37411%0.106SC..THydrogen-bonded Turntrans-59.2-21.1169.752.50000113.3K370 E468 E470T368-K370 VanDerWaalsContact C-N 3.28Å; T368-K370 PolarHBondContact O-N 3.44Å; T368-E468 HydrophobicContact CG2-CB 3.91Å; T368-E468 PolarHBondContact N-O 3.03Å; T368-E468 VanDerWaalsContact N-O 3.08Å; T368-E470 HydrophobicContact CG2-CB 4.17Å
369W87.8Confident92Very high134 Ų13425 Ų2551%0.50811%0.112SC..THydrogen-bonded Turntrans-87.314170.7-55.5-62.5000114T367 Q371 E464 F467T367-W369 PolarHBondContact O-N 3.27Å; T367-W369 VanDerWaalsContact O-N 3.16Å; T367-W369 PolarHBondContact OG1-N 2.97Å; W369-Q371 HydrophobicContact CB-CG 4.47Å; W369-Q371 PolarHBondContact O-N 2.95Å; W369-E464 HydrophobicContact CD2-CG 4.49Å; W369-E464 HydrophobicContact CE3-CB 4.46Å; W369-E464 HydrophobicContact CE3-CG 3.92Å; W369-E464 HydrophobicContact CH2-CB 3.94Å; W369-E464 HydrophobicContact CH2-CG 3.69Å; W369-E464 HydrophobicContact CZ2-CG 4.27Å; W369-E464 HydrophobicContact CZ3-CB 3.66Å; W369-E464 HydrophobicContact CZ3-CG 3.48Å; W369-E464 VanDerWaalsContact CZ3-CG 3.48Å; W369-F467 HydrophobicContact CZ3-CB 4.17Å
370K85.9Confident92.2Very high118 Ų11821.3 Ų21.351%0.51310%0.099SC..  trans62.320.4178.2-49-60.6-177.8179.80114.4T367 T368 E470T367-K370 WeakPolarHBondContact O-CA 3.43Å; T367-K370 PolarHBondContact O-N 3.38Å; T368-K370 VanDerWaalsContact C-N 3.28Å; T368-K370 PolarHBondContact O-N 3.44Å; K370-E470 WeakPolarHBondContact CD-OE2 3.11Å; K370-E470 WeakPolarHBondContact CE-OE2 3.3Å; K370-E470 IonicContact NZ-OE1 2.87Å; K370-E470 PolarHBondContact NZ-OE1 3.01Å; K370-E470 IonicContact NZ-OE2 2.9Å; K370-E470 PolarHBondContact NZ-OE2 3.44Å
371Q89.3Confident92.1Very high16 Ų1621.3 Ų21.38%0.07510%0.099CC..  trans-81.7135.9172.6-58.6148.3-34.300108.9Q366 T367 W369 T404 V462 E464Q366-Q371 WeakPolarHBondContact CA-O 3.46Å; T367-Q371 HydrophobicContact CG2-CB 4.31Å; T367-Q371 PolarHBondContact N-O 3.22Å; T367-Q371 WeakPolarHBondContact OG1-CB 3.37Å; T367-Q371 PolarHBondContact OG1-N 2.94Å; T367-Q371 VanDerWaalsContact OG1-N 3.17Å; T367-Q371 PolarHBondContact OG1-OE1 3.26Å; W369-Q371 HydrophobicContact CB-CG 4.47Å; W369-Q371 PolarHBondContact O-N 2.95Å; Q371-T404 HydrophobicContact CG-CG2 4.06Å; Q371-V462 HydrophobicContact CB-CG1 3.79Å; Q371-V462 HydrophobicContact CG-CG1 4.22Å; Q371-E464 PolarHBondContact NE2-OE1 2.91Å; Q371-E464 PolarHBondContact NE2-OE2 2.98Å; Q371-E464 PolarHBondContact OE1-OE2 3.24Å
372I90.3Very high92Very high19 Ų1922.2 Ų22.210%0.09710%0.104CC..EExtended strand (participates in β ladder)trans-116.8128.4-178.9-56.7161.2000109.4Y315 V318 L364 I365 Q366 F403Y315-I372 HydrophobicContact CD1-CD1 3.57Å; Y315-I372 HydrophobicContact CD1-CG1 4.43Å; Y315-I372 HydrophobicContact CE1-CD1 3.77Å; Y315-I372 HydrophobicContact CE1-CG1 4.23Å; V318-I372 HydrophobicContact CG1-CG2 4.18Å; V318-I372 HydrophobicContact CG2-CD1 4.14Å; L364-I372 HydrophobicContact CD1-CG2 3.68Å; L364-I372 HydrophobicContact CG-CG2 4.36Å; I365-I372 WeakPolarHBondContact O-CA 3.46Å; Q366-I372 HydrophobicContact CB-CG1 4.33Å; Q366-I372 HydrophobicContact CG-CG1 4.24Å; I372-F403 HydrophobicContact CB-CB 4.44Å; I372-F403 HydrophobicContact CB-CD2 4.34Å; I372-F403 HydrophobicContact CG2-CD2 3.96Å; I372-F403 PolarHBondContact O-N 3.16Å
373F93.7Very high91.6Very high0 Ų024 Ų240%011%0.113CC..EExtended strand (participates in β ladder)trans-156.7177.9177.461.2-88.7000109.8I365 T367 F401 Q402 L439 L461 V462 F467I365-F373 HydrophobicContact CB-CD2 4.45Å; I365-F373 HydrophobicContact CB-CE2 4.13Å; I365-F373 HydrophobicContact CB-CZ 4.25Å; I365-F373 HydrophobicContact CD1-CD2 4.32Å; I365-F373 HydrophobicContact CD1-CE2 3.79Å; I365-F373 HydrophobicContact CD1-CZ 4.49Å; I365-F373 HydrophobicContact CG2-CE1 4.33Å; I365-F373 HydrophobicContact CG2-CE2 4.18Å; I365-F373 HydrophobicContact CG2-CZ 3.86Å; I365-F373 PolarHBondContact N-O 2.89Å; I365-F373 PolarHBondContact O-N 3.46Å; T367-F373 HydrophobicContact CG2-CD1 4.49Å; T367-F373 HydrophobicContact CG2-CE1 3.47Å; T367-F373 VanDerWaalsContact CG2-CE1 3.47Å; T367-F373 HydrophobicContact CG2-CZ 4.1Å; F373-F401 CarbonylContact C-O 3.59Å; F373-F401 VanDerWaalsContact CA-O 3.3Å; F373-F401 WeakPolarHBondContact CA-O 3.47Å; F373-F401 WeakPolarHBondContact CB-O 3.26Å; F373-Q402 HydrophobicContact CB-CB 3.86Å; F373-L439 HydrophobicContact CD2-CD2 4.15Å; F373-L439 HydrophobicContact CE2-CD2 4.16Å; F373-L461 HydrophobicContact CB-CB 4.14Å; F373-L461 HydrophobicContact CB-CD1 4.41Å; F373-L461 HydrophobicContact CD2-CB 3.94Å; F373-L461 HydrophobicContact CD2-CD1 3.71Å; F373-L461 HydrophobicContact CD2-CG 4.5Å; F373-L461 HydrophobicContact CE2-CD1 4.44Å; F373-L461 HydrophobicContact CG-CB 4Å; F373-L461 HydrophobicContact CG-CD1 4.38Å; F373-V462 HydrophobicContact CD1-CG1 3.49Å; F373-V462 VanDerWaalsContact CD1-CG1 3.49Å; F373-V462 HydrophobicContact CE1-CB 4.47Å; F373-V462 HydrophobicContact CE1-CG1 3.27Å; F373-V462 HydrophobicContact CE1-CG2 4.4Å; F373-V462 HydrophobicContact CZ-CG1 4.18Å; F373-F467 AromaticContact CE2-CE1 3.86Å; F373-F467 HydrophobicContact CE2-CE1 3.86Å; F373-F467 HydrophobicContact CE2-CE2 4.21Å; F373-F467 AromaticContact CE2-CZ 3.66Å; F373-F467 HydrophobicContact CE2-CZ 3.66Å; F373-F467 AromaticContact CZ-CD1 3.77Å; F373-F467 HydrophobicContact CZ-CD1 3.77Å; F373-F467 AromaticContact CZ-CD2 3.91Å; F373-F467 HydrophobicContact CZ-CD2 3.91Å; F373-F467 AromaticContact CZ-CE1 3.47Å; F373-F467 HydrophobicContact CZ-CE1 3.47Å; F373-F467 VanDerWaalsContact CZ-CE1 3.47Å; F373-F467 AromaticContact CZ-CE2 3.64Å; F373-F467 HydrophobicContact CZ-CE2 3.64Å; F373-F467 AromaticContact CZ-CG 3.98Å; F373-F467 HydrophobicContact CZ-CG 3.98Å; F373-F467 AromaticContact CZ-CZ 3.41Å; F373-F467 HydrophobicContact CZ-CZ 3.41Å; F373-F467 VanDerWaalsContact CZ-CZ 3.41Å
374G95Very high91.2Very high0 Ų026.1 Ų26.10%012%0.121CC..EExtended strand (participates in β ladder)trans172.4-166.1-176.500000114.2L363 F401L363-G374 CarbonylContact O-C 3.54Å; L363-G374 WeakPolarHBondContact O-CA 3.46Å; G374-F401 VanDerWaalsContact C-CE1 3.47Å; G374-F401 VanDerWaalsContact CA-CZ 3.5Å; G374-F401 PolarHBondContact N-O 2.91Å; G374-F401 PolarHBondContact O-N 2.98Å
375A96.8Very high90.8Very high0 Ų032.3 Ų32.30%015%0.148CC..EExtended strand (participates in β ladder)trans-140.4139.9-179.300000110.8L363 F399 L400 V437L363-A375 HydrophobicContact CB-CB 4.47Å; L363-A375 HydrophobicContact CD1-CB 4.36Å; L363-A375 PolarHBondContact N-O 3.2Å; L363-A375 PolarHBondContact O-N 3.42Å; A375-F399 CarbonylContact C-O 3.41Å; A375-F399 WeakPolarHBondContact CA-O 3.38Å; A375-L400 HydrophobicContact CB-CD2 3.63Å; A375-V437 HydrophobicContact CB-CB 4.07Å; A375-V437 HydrophobicContact CB-CG1 3.75Å
376F95.2Very high90.1Very high0 Ų040.4 Ų40.40%018%0.179CC..EExtended strand (participates in β ladder)trans-92.3121.3161.7178.3-90.4000108.1I326 P327 Y330 P360 V362 E397 S398 F399I326-F376 HydrophobicContact CG1-CD2 4.1Å; I326-F376 HydrophobicContact CG1-CE2 4.37Å; I326-F376 HydrophobicContact CG2-CD2 4.44Å; I326-F376 HydrophobicContact CG2-CE2 3.87Å; P327-F376 VanDerWaalsContact CD-CZ 3.47Å; P327-F376 HydrophobicContact CG-CE1 3.9Å; P327-F376 HydrophobicContact CG-CZ 3.9Å; Y330-F376 HydrophobicContact CD2-CE2 4.4Å; Y330-F376 HydrophobicContact CD2-CZ 4.06Å; Y330-F376 AromaticContact CE2-CZ 3.82Å; Y330-F376 HydrophobicContact CE2-CZ 3.82Å; P360-F376 HydrophobicContact CB-CE1 4.12Å; P360-F376 HydrophobicContact CB-CE2 3.65Å; P360-F376 HydrophobicContact CB-CZ 3.33Å; P360-F376 HydrophobicContact CG-CE2 3.89Å; P360-F376 HydrophobicContact CG-CZ 3.78Å; V362-F376 HydrophobicContact CG2-CD2 3.68Å; V362-F376 HydrophobicContact CG2-CE2 4.41Å; F376-E397 WeakPolarHBondContact CD1-O 3.39Å; F376-S398 WeakPolarHBondContact O-CA 3.45Å; F376-S398 WeakPolarHBondContact O-CB 3.38Å; F376-F399 HydrophobicContact CB-CD1 3.65Å; F376-F399 HydrophobicContact CB-CD2 4Å; F376-F399 HydrophobicContact CB-CE1 3.29Å; F376-F399 HydrophobicContact CB-CE2 3.67Å; F376-F399 HydrophobicContact CB-CG 3.99Å; F376-F399 HydrophobicContact CB-CZ 3.3Å; F376-F399 AromaticContact CD1-CD1 3.85Å; F376-F399 HydrophobicContact CD1-CD1 3.85Å; F376-F399 AromaticContact CD1-CE1 3.56Å; F376-F399 HydrophobicContact CD1-CE1 3.56Å; F376-F399 HydrophobicContact CD1-CZ 4.36Å; F376-F399 HydrophobicContact CD2-CE1 4.12Å; F376-F399 HydrophobicContact CD2-CZ 4.21Å; F376-F399 HydrophobicContact CE1-CE1 4.42Å; F376-F399 AromaticContact CG-CD1 3.97Å; F376-F399 HydrophobicContact CG-CD1 3.97Å; F376-F399 AromaticContact CG-CE1 3.38Å; F376-F399 HydrophobicContact CG-CE1 3.38Å; F376-F399 AromaticContact CG-CZ 3.73Å; F376-F399 HydrophobicContact CG-CZ 3.73Å; F376-F399 PolarHBondContact N-O 3.23Å; F376-F399 PolarHBondContact O-N 3Å; F376-F399 VanDerWaalsContact O-N 3.13Å
377C94.9Very high89.3Confident0 Ų043 Ų430%019%0.193CC..EExtended strand (participates in β ladder)trans-110.7117.7-177.2-54.10000108.8P360 T361 W381P360-C377 WeakPolarHBondContact CA-O 3.33Å; P360-C377 WeakPolarHBondContact CB-O 3.44Å; T361-C377 PolarHBondContact N-O 3.18Å; T361-C377 PolarHBondContact O-N 3.03Å; C377-W381 HydrophobicContact CB-CZ2 3.97Å
378S91.8Very high88.2Confident9 Ų947.4 Ų47.46%0.06322%0.223CC..  trans-82-17.6-171.159.10000114.2T395 S398S378-T395 WeakPolarHBondContact CB-OG1 3.36Å; S378-T395 PolarHBondContact OG-N 3.38Å; S378-T395 PolarHBondContact OG-O 3.29Å; S378-T395 PolarHBondContact OG-OG1 3.46Å; S378-S398 PolarHBondContact N-OG 3.17Å; S378-S398 VanDerWaalsContact N-OG 3.12Å; S378-S398 PolarHBondContact OG-OG 2.79Å
379E90.9Very high87.2Confident54 Ų5453.9 Ų53.925%0.25225%0.246SC..SBendtrans-118.6147.5-173-169.968.3-104.700111.9M383 F393 Q428E379-M383 HydrophobicContact CG-CG 3.87Å; E379-F393 HydrophobicContact CB-CD2 4.47Å; E379-F393 HydrophobicContact CG-CD2 4.21Å; E379-Q428 PolarHBondContact O-NE2 3.27Å
380A92.2Very high86.2Confident6 Ų652.6 Ų52.65%0.0525%0.249CC..  trans-63.8142.3-178.400000112.8Y359 V382 M383Y359-A380 HydrophobicContact CD1-CB 3.84Å; Y359-A380 HydrophobicContact CG-CB 4.15Å; A380-V382 HydrophobicContact CB-CG1 4Å; A380-V382 PolarHBondContact O-N 2.94Å; A380-M383 WeakPolarHBondContact O-CG 3.46Å; A380-M383 PolarHBondContact O-N 2.96Å
381W92Very high86Confident0 Ų048.2 Ų48.20%023%0.233CC..THydrogen-bonded Turntrans-70.6-17.4-176.5-67.697.9000113.6W352 I355 E356 T361 L363 C377 M383 R384 F393 A430 L435 V437W352-W381 HydrophobicContact CE3-CB 4.12Å; W352-W381 HydrophobicContact CE3-CG 4.43Å; W352-W381 HydrophobicContact CH2-CD2 4.3Å; W352-W381 AromaticContact CH2-CE3 3.69Å; W352-W381 HydrophobicContact CH2-CE3 3.69Å; W352-W381 HydrophobicContact CH2-CZ3 4.05Å; W352-W381 HydrophobicContact CZ3-CB 3.92Å; W352-W381 AromaticContact CZ3-CD2 3.64Å; W352-W381 HydrophobicContact CZ3-CD2 3.64Å; W352-W381 AromaticContact CZ3-CE3 3.47Å; W352-W381 HydrophobicContact CZ3-CE3 3.47Å; W352-W381 VanDerWaalsContact CZ3-CE3 3.47Å; W352-W381 AromaticContact CZ3-CG 3.85Å; W352-W381 HydrophobicContact CZ3-CG 3.85Å; W352-W381 HydrophobicContact CZ3-CZ3 4.23Å; I355-W381 HydrophobicContact CD1-CD2 4.36Å; I355-W381 HydrophobicContact CD1-CG 4Å; I355-W381 HydrophobicContact CG1-CB 4.37Å; I355-W381 HydrophobicContact CG1-CG 4.1Å; E356-W381 CarbonylContact O-C 3.55Å; E356-W381 PolarHBondContact O-N 3.04Å; T361-W381 PolarHBondContact OG1-NE1 3.18Å; L363-W381 HydrophobicContact CD1-CH2 4.13Å; L363-W381 HydrophobicContact CD1-CZ2 3.89Å; L363-W381 HydrophobicContact CD2-CZ2 4.07Å; L363-W381 HydrophobicContact CG-CZ2 4.29Å; C377-W381 HydrophobicContact CB-CZ2 3.97Å; W381-M383 PolarHBondContact O-N 3.47Å; W381-M383 VanDerWaalsContact O-N 3.11Å; W381-R384 WeakPolarHBondContact O-CB 3.44Å; W381-R384 WeakPolarHBondContact O-CD 3.43Å; W381-R384 WeakPolarHBondContact O-CG 3.28Å; W381-R384 PolarHBondContact O-N 2.93Å; W381-R384 VanDerWaalsContact O-N 3.08Å; W381-F393 HydrophobicContact CE3-CE2 4.43Å; W381-F393 HydrophobicContact CE3-CZ 4.22Å; W381-A430 HydrophobicContact CE3-CB 3.99Å; W381-A430 HydrophobicContact CZ3-CB 3.97Å; W381-L435 HydrophobicContact CE3-CD1 4.44Å; W381-L435 HydrophobicContact CH2-CD1 3.41Å; W381-L435 VanDerWaalsContact CH2-CD1 3.41Å; W381-L435 HydrophobicContact CH2-CD2 4.02Å; W381-L435 HydrophobicContact CH2-CG 3.47Å; W381-L435 VanDerWaalsContact CH2-CG 3.47Å; W381-L435 HydrophobicContact CZ2-CD1 3.85Å; W381-L435 HydrophobicContact CZ2-CG 4.38Å; W381-L435 HydrophobicContact CZ3-CD1 3.76Å; W381-L435 HydrophobicContact CZ3-CG 3.65Å; W381-V437 HydrophobicContact CH2-CG2 3.59Å; W381-V437 HydrophobicContact CZ2-CG2 4.39Å; W381-V437 HydrophobicContact CZ3-CG2 4.46Å
382V90.8Very high85.9Confident19 Ų1952 Ų5212%0.11525%0.247CC..THydrogen-bonded Turntrans-57-23.9173.4720000113E356 A380 R384 K385E356-V382 VanDerWaalsContact CG-CA 3.49Å; E356-V382 HydrophobicContact CG-CB 3.58Å; E356-V382 HydrophobicContact CG-CG2 3.87Å; E356-V382 WeakPolarHBondContact O-CB 3.4Å; E356-V382 PolarHBondContact O-N 3.39Å; A380-V382 HydrophobicContact CB-CG1 4Å; A380-V382 PolarHBondContact O-N 2.94Å; V382-R384 PolarHBondContact O-N 3.15Å; V382-R384 VanDerWaalsContact O-N 3.13Å; V382-K385 WeakPolarHBondContact O-CB 3.31Å; V382-K385 PolarHBondContact O-N 3.14Å
383M87.1Confident85.9Confident41 Ų4151.9 Ų51.920%0.20225%0.246CC..Hα-helixtrans-59-25.7176.1-66.6-59.1172.100112.9E379 A380 W381 K385 R386 L387 F393E379-M383 HydrophobicContact CG-CG 3.87Å; A380-M383 WeakPolarHBondContact O-CG 3.46Å; A380-M383 PolarHBondContact O-N 2.96Å; W381-M383 PolarHBondContact O-N 3.47Å; W381-M383 VanDerWaalsContact O-N 3.11Å; M383-K385 PolarHBondContact O-N 3.47Å; M383-K385 VanDerWaalsContact O-N 3.14Å; M383-R386 PolarHBondContact O-N 3.19Å; M383-L387 PolarHBondContact O-N 3.09Å; M383-F393 HydrophobicContact CB-CB 4.05Å; M383-F393 HydrophobicContact CB-CD1 4.13Å; M383-F393 HydrophobicContact CB-CD2 3.43Å; M383-F393 VanDerWaalsContact CB-CD2 3.43Å; M383-F393 HydrophobicContact CB-CE1 4.45Å; M383-F393 HydrophobicContact CB-CE2 3.76Å; M383-F393 HydrophobicContact CB-CG 3.64Å; M383-F393 HydrophobicContact CB-CZ 4.29Å; M383-F393 HydrophobicContact CG-CD2 4.14Å
384R86.7Confident85.6Confident45 Ų4552.9 Ų52.917%0.1726%0.257CS..Hα-helixtrans-56.5-27.5172.981.2-168.4178.792.85113.5E356 W381 V382 F393 A430 D431E356-R384 IonicContact OE1-CZ 3.41Å; E356-R384 VanDerWaalsContact OE1-CZ 3.3Å; E356-R384 IonicContact OE1-NE 2.7Å; E356-R384 PolarHBondContact OE1-NE 2.87Å; E356-R384 IonicContact OE1-NH2 3.46Å; E356-R384 PolarHBondContact OE1-NH2 3.37Å; E356-R384 IonicContact OE2-NH2 2.77Å; W381-R384 WeakPolarHBondContact O-CB 3.44Å; W381-R384 WeakPolarHBondContact O-CD 3.43Å; W381-R384 WeakPolarHBondContact O-CG 3.28Å; W381-R384 PolarHBondContact O-N 2.93Å; W381-R384 VanDerWaalsContact O-N 3.08Å; V382-R384 PolarHBondContact O-N 3.15Å; V382-R384 VanDerWaalsContact O-N 3.13Å; R384-F393 HydrophobicContact CB-CE1 4.1Å; R384-F393 HydrophobicContact CB-CZ 4.04Å; R384-A430 HydrophobicContact CB-CB 4.03Å; R384-D431 PolarHBondContact NH1-O 3.4Å
385K84.7Confident85.3Confident134 Ų13455.3 Ų55.358%0.58327%0.271SS*.Hα-helixtrans-88.3-22.8177.8-71.6179.9170.2164.10112.9E356 V382 M383E356-K385 WeakPolarHBondContact OE1-CD 2.95Å; E356-K385 WeakPolarHBondContact OE1-CE 3.14Å; E356-K385 IonicContact OE1-NZ 3.48Å; E356-K385 PolarHBondContact OE1-NZ 2.98Å; E356-K385 VanDerWaalsContact OE1-NZ 3.1Å; E356-K385 IonicContact OE2-NZ 3.48Å; E356-K385 PolarHBondContact OE2-NZ 3.37Å; V382-K385 WeakPolarHBondContact O-CB 3.31Å; V382-K385 PolarHBondContact O-N 3.14Å; M383-K385 PolarHBondContact O-N 3.47Å; M383-K385 VanDerWaalsContact O-N 3.14Å
386R77.6Confident85Confident170 Ų17056.2 Ų56.264%0.64228%0.28SS*.Hα-helixtrans-88.7-20.4-173.5-66.1-175.9179169.11.6113.3M383M383-R386 PolarHBondContact O-N 3.19Å
387L73.7Confident84.9Confident78 Ų7859 Ų5941%0.40829%0.294SS..SBendtrans-107166.4-179.2-57.7175.3000111.1M383 S391 F393M383-L387 PolarHBondContact O-N 3.09Å; L387-S391 VanDerWaalsContact CB-CB 3.47Å; L387-F393 HydrophobicContact CD1-CB 3.87Å; L387-F393 HydrophobicContact CD1-CD1 4.19Å; L387-F393 HydrophobicContact CD1-CG 4.43Å
388S67.7Low84.8Confident91 Ų9159.1 Ų59.164%0.63629%0.294SS*.  trans-56.1154.9170.8340000111.3L390 S391S388-L390 PolarHBondContact O-N 3.07Å; S388-S391 VanDerWaalsContact C-OG 3.29Å; S388-S391 WeakPolarHBondContact CA-OG 3.47Å; S388-S391 PolarHBondContact N-OG 2.82Å; S388-S391 WeakPolarHBondContact O-CB 3.27Å; S388-S391 PolarHBondContact O-N 3.15Å; S388-S391 VanDerWaalsContact O-N 3.08Å; S388-S391 PolarHBondContact O-OG 3.44Å; S388-S391 PolarHBondContact OG-OG 3.22Å
389K66.3Low85Confident198 Ų19859 Ų5986%0.86129%0.292SS*.THydrogen-bonded Turntrans-50.6135172.7-71.4-174.4178.4-177.80109.8S391K389-S391 VanDerWaalsContact C-N 3.3Å; K389-S391 PolarHBondContact O-N 3.32Å
390L68.2Low85.3Confident107 Ų10756.4 Ų56.456%0.5628%0.28SS*.THydrogen-bonded Turntrans65.123-179.8-54.6168.8000115.6S388S388-L390 PolarHBondContact O-N 3.07Å
391S81.2Confident85.4Confident26 Ų2656.1 Ų56.118%0.18228%0.278CS..  trans-79.6140.2170.8-46.70000110.6L387 S388 K389L387-S391 VanDerWaalsContact CB-CB 3.47Å; S388-S391 VanDerWaalsContact C-OG 3.29Å; S388-S391 WeakPolarHBondContact CA-OG 3.47Å; S388-S391 PolarHBondContact N-OG 2.82Å; S388-S391 WeakPolarHBondContact O-CB 3.27Å; S388-S391 PolarHBondContact O-N 3.15Å; S388-S391 VanDerWaalsContact O-N 3.08Å; S388-S391 PolarHBondContact O-OG 3.44Å; S388-S391 PolarHBondContact OG-OG 3.22Å; K389-S391 VanDerWaalsContact C-N 3.3Å; K389-S391 PolarHBondContact O-N 3.32Å
392Y86.8Confident85.4Confident94 Ų9457 Ų5737%0.36928%0.282SS..  trans-85.3141.1172.8-70-99.4000110.6L426 Q428 C429 I436Y392-L426 HydrophobicContact CD1-CB 3.53Å; Y392-L426 HydrophobicContact CD1-CD2 4.34Å; Y392-L426 HydrophobicContact CD1-CG 4.39Å; Y392-L426 HydrophobicContact CD2-CB 4.32Å; Y392-L426 HydrophobicContact CD2-CD1 4.36Å; Y392-L426 HydrophobicContact CD2-CD2 3.71Å; Y392-L426 HydrophobicContact CD2-CG 4.33Å; Y392-L426 HydrophobicContact CE1-CB 3.74Å; Y392-L426 HydrophobicContact CE2-CD1 4.13Å; Y392-L426 HydrophobicContact CE2-CD2 4.31Å; Y392-L426 HydrophobicContact CG-CB 3.83Å; Y392-L426 HydrophobicContact CG-CD2 3.71Å; Y392-L426 HydrophobicContact CG-CG 4.24Å; Y392-Q428 CarbonylContact C-O 3.57Å; Y392-Q428 VanDerWaalsContact CA-O 3.27Å; Y392-Q428 WeakPolarHBondContact CA-O 3.4Å; Y392-C429 HydrophobicContact CD1-CB 3.56Å; Y392-C429 HydrophobicContact CD2-CB 4.24Å; Y392-C429 HydrophobicContact CE1-CB 3.59Å; Y392-C429 HydrophobicContact CE2-CB 4.26Å; Y392-C429 HydrophobicContact CG-CB 3.92Å; Y392-I436 HydrophobicContact CE1-CG2 4.41Å
393F90.4Very high85.3Confident18 Ų1857.2 Ų57.28%0.07928%0.282CS..BIsolated β-bridgetrans-133.7-177.1173.551-80.9000108.4E379 W381 M383 R384 L387 F427 Q428 A430E379-F393 HydrophobicContact CB-CD2 4.47Å; E379-F393 HydrophobicContact CG-CD2 4.21Å; W381-F393 HydrophobicContact CE3-CE2 4.43Å; W381-F393 HydrophobicContact CE3-CZ 4.22Å; M383-F393 HydrophobicContact CB-CB 4.05Å; M383-F393 HydrophobicContact CB-CD1 4.13Å; M383-F393 HydrophobicContact CB-CD2 3.43Å; M383-F393 VanDerWaalsContact CB-CD2 3.43Å; M383-F393 HydrophobicContact CB-CE1 4.45Å; M383-F393 HydrophobicContact CB-CE2 3.76Å; M383-F393 HydrophobicContact CB-CG 3.64Å; M383-F393 HydrophobicContact CB-CZ 4.29Å; M383-F393 HydrophobicContact CG-CD2 4.14Å; R384-F393 HydrophobicContact CB-CE1 4.1Å; R384-F393 HydrophobicContact CB-CZ 4.04Å; L387-F393 HydrophobicContact CD1-CB 3.87Å; L387-F393 HydrophobicContact CD1-CD1 4.19Å; L387-F393 HydrophobicContact CD1-CG 4.43Å; F393-F427 WeakPolarHBondContact O-CB 3.45Å; F393-Q428 WeakPolarHBondContact CD1-O 3.38Å; F393-Q428 HydrophobicContact CD2-CG 3.51Å; F393-Q428 VanDerWaalsContact CD2-NE2 3.33Å; F393-Q428 HydrophobicContact CE2-CG 3.76Å; F393-Q428 HydrophobicContact CG-CG 4.05Å; F393-Q428 HydrophobicContact CZ-CG 4.42Å; F393-Q428 PolarHBondContact N-O 3.09Å; F393-Q428 WeakPolarHBondContact O-CG 3.47Å; F393-Q428 PolarHBondContact O-N 3.3Å; F393-Q428 VanDerWaalsContact O-O 3.12Å; F393-A430 HydrophobicContact CZ-CB 4.36Å
394G87Confident84.7Confident21 Ų2158 Ų5822%0.21629%0.288CS..  trans107.2175-176.100000113.7
395T89Confident84.1Confident51 Ų5161.2 Ų61.231%0.31332%0.315SS..  trans-130.7165.7178.979.90000110.8S378 E397 S398 F427S378-T395 WeakPolarHBondContact CB-OG1 3.36Å; S378-T395 PolarHBondContact OG-N 3.38Å; S378-T395 PolarHBondContact OG-O 3.29Å; S378-T395 PolarHBondContact OG-OG1 3.46Å; T395-E397 PolarHBondContact O-N 3.04Å; T395-E397 PolarHBondContact OG1-N 3.42Å; T395-S398 WeakPolarHBondContact O-CB 3.29Å; T395-S398 PolarHBondContact O-N 2.78Å; T395-S398 PolarHBondContact O-OG 3.01Å; T395-F427 WeakPolarHBondContact O-CD1 3.49Å
396G91.2Very high84Confident18 Ų1862.6 Ų62.619%0.18632%0.321CS..THydrogen-bonded Turntrans-62.52.9175.700000115.9W412 F427G396-W412 VanDerWaalsContact CA-CE3 3.46Å; G396-F427 VanDerWaalsContact CA-CE1 3.49Å
397E91.7Very high84.4Confident60 Ų6056.3 Ų56.328%0.2831%0.306SS..THydrogen-bonded Turntrans-87.4-12.1169.8-62-167.6113.600113R329 F376 T395R329-E397 IonicContact CZ-OE1 3.55Å; R329-E397 IonicContact CZ-OE2 3.14Å; R329-E397 IonicContact NH1-OE1 3.53Å; R329-E397 PolarHBondContact NH1-OE1 3.02Å; R329-E397 IonicContact NH1-OE2 3.47Å; R329-E397 PolarHBondContact NH1-OE2 3.05Å; R329-E397 VanDerWaalsContact NH2-CD 3.32Å; R329-E397 IonicContact NH2-OE1 2.68Å; R329-E397 PolarHBondContact NH2-OE1 3.3Å; R329-E397 IonicContact NH2-OE2 2.71Å; R329-E397 PolarHBondContact NH2-OE2 2.81Å; F376-E397 WeakPolarHBondContact CD1-O 3.39Å; T395-E397 PolarHBondContact O-N 3.04Å; T395-E397 PolarHBondContact OG1-N 3.42Å
398S93.8Very high85.3Confident1 Ų154 Ų541%0.00730%0.298CS..  trans-65.7148170.9-620000110.5F376 S378 T395 F456F376-S398 WeakPolarHBondContact O-CA 3.45Å; F376-S398 WeakPolarHBondContact O-CB 3.38Å; S378-S398 PolarHBondContact N-OG 3.17Å; S378-S398 VanDerWaalsContact N-OG 3.12Å; S378-S398 PolarHBondContact OG-OG 2.79Å; T395-S398 WeakPolarHBondContact O-CB 3.29Å; T395-S398 PolarHBondContact O-N 2.78Å; T395-S398 PolarHBondContact O-OG 3.01Å; S398-F456 WeakPolarHBondContact O-CE1 3.4Å
399F96.1Very high86.6Confident7 Ų751.6 Ų51.63%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-152.5154.7176.361.1-95.9000111W325 I326 A375 F376 F401 C409 F410W325-F399 HydrophobicContact CB-CE2 3.75Å; W325-F399 HydrophobicContact CB-CZ 3.74Å; W325-F399 WeakPolarHBondContact O-CE1 3.28Å; W325-F399 VanDerWaalsContact O-CZ 3.3Å; W325-F399 WeakPolarHBondContact O-CZ 3.44Å; I326-F399 HydrophobicContact CG1-CZ 4.25Å; A375-F399 CarbonylContact C-O 3.41Å; A375-F399 WeakPolarHBondContact CA-O 3.38Å; F376-F399 HydrophobicContact CB-CD1 3.65Å; F376-F399 HydrophobicContact CB-CD2 4Å; F376-F399 HydrophobicContact CB-CE1 3.29Å; F376-F399 HydrophobicContact CB-CE2 3.67Å; F376-F399 HydrophobicContact CB-CG 3.99Å; F376-F399 HydrophobicContact CB-CZ 3.3Å; F376-F399 AromaticContact CD1-CD1 3.85Å; F376-F399 HydrophobicContact CD1-CD1 3.85Å; F376-F399 AromaticContact CD1-CE1 3.56Å; F376-F399 HydrophobicContact CD1-CE1 3.56Å; F376-F399 HydrophobicContact CD1-CZ 4.36Å; F376-F399 HydrophobicContact CD2-CE1 4.12Å; F376-F399 HydrophobicContact CD2-CZ 4.21Å; F376-F399 HydrophobicContact CE1-CE1 4.42Å; F376-F399 AromaticContact CG-CD1 3.97Å; F376-F399 HydrophobicContact CG-CD1 3.97Å; F376-F399 AromaticContact CG-CE1 3.38Å; F376-F399 HydrophobicContact CG-CE1 3.38Å; F376-F399 AromaticContact CG-CZ 3.73Å; F376-F399 HydrophobicContact CG-CZ 3.73Å; F376-F399 PolarHBondContact N-O 3.23Å; F376-F399 PolarHBondContact O-N 3Å; F376-F399 VanDerWaalsContact O-N 3.13Å; F399-F401 HydrophobicContact CD2-CD1 4.14Å; F399-F401 AromaticContact CE2-CD1 3.8Å; F399-F401 HydrophobicContact CE2-CD1 3.8Å; F399-C409 WeakPolarHBondContact CD2-SG 3.26Å; F399-F410 WeakPolarHBondContact CA-O 3.41Å; F399-F410 WeakPolarHBondContact CB-O 3.35Å
400L96.8Very high88Confident0 Ų043.8 Ų43.80%025%0.247CC..EExtended strand (participates in β ladder)trans-95.8155169.6-68.2173.3000110.4A375 C409 F410 V437 L439 F456 N458 L461A375-L400 HydrophobicContact CB-CD2 3.63Å; L400-C409 CarbonylContact O-C 3.55Å; L400-C409 WeakPolarHBondContact O-CA 3.45Å; L400-F410 HydrophobicContact CB-CB 4.2Å; L400-F410 HydrophobicContact CB-CD2 4.16Å; L400-F410 PolarHBondContact N-O 3.23Å; L400-F410 PolarHBondContact O-N 3.46Å; L400-V437 WeakPolarHBondContact CD2-O 3.26Å; L400-L439 HydrophobicContact CD2-CD2 4.22Å; L400-F456 HydrophobicContact CD1-CB 4.13Å; L400-F456 HydrophobicContact CD1-CD2 3.5Å; L400-F456 VanDerWaalsContact CD1-CD2 3.5Å; L400-F456 HydrophobicContact CD1-CE2 4.21Å; L400-F456 HydrophobicContact CD1-CG 4.02Å; L400-F456 HydrophobicContact CG-CB 4.5Å; L400-F456 HydrophobicContact CG-CD2 3.68Å; L400-F456 HydrophobicContact CG-CE2 4.05Å; L400-F456 HydrophobicContact CG-CG 4.06Å; L400-N458 HydrophobicContact CD1-CB 4.08Å; L400-N458 VanDerWaalsContact CD1-CG 3.42Å; L400-N458 WeakPolarHBondContact CD1-OD1 3.25Å; L400-L461 HydrophobicContact CB-CD1 4.4Å; L400-L461 HydrophobicContact CB-CD2 4.28Å; L400-L461 HydrophobicContact CD1-CD1 4.29Å; L400-L461 HydrophobicContact CD2-CD1 4.11Å
401F94.8Very high89.3Confident0 Ų041.5 Ų41.50%024%0.24CC..EExtended strand (participates in β ladder)trans-144.5155.6172.259.4-96.2000111.6L322 W325 V362 L363 L364 F373 G374 F399 F403 A408L322-F401 HydrophobicContact CD1-CD1 3.5Å; L322-F401 HydrophobicContact CD1-CD2 3.94Å; L322-F401 HydrophobicContact CD1-CE1 3.4Å; L322-F401 HydrophobicContact CD1-CE2 3.86Å; L322-F401 HydrophobicContact CD1-CG 3.76Å; L322-F401 HydrophobicContact CD1-CZ 3.59Å; L322-F401 HydrophobicContact CD2-CE1 4.37Å; L322-F401 HydrophobicContact CD2-CE2 4.14Å; L322-F401 HydrophobicContact CD2-CZ 3.83Å; L322-F401 HydrophobicContact CG-CZ 4.39Å; W325-F401 HydrophobicContact CE3-CB 3.75Å; W325-F401 HydrophobicContact CE3-CG 4.38Å; W325-F401 HydrophobicContact CZ3-CB 3.55Å; W325-F401 HydrophobicContact CZ3-CG 4.29Å; V362-F401 HydrophobicContact CG1-CE1 4.38Å; V362-F401 HydrophobicContact CG1-CZ 4.13Å; L363-F401 WeakPolarHBondContact O-CZ 3.43Å; L364-F401 HydrophobicContact CD1-CE2 3.91Å; L364-F401 HydrophobicContact CD1-CZ 4.22Å; F373-F401 CarbonylContact C-O 3.59Å; F373-F401 VanDerWaalsContact CA-O 3.3Å; F373-F401 WeakPolarHBondContact CA-O 3.47Å; F373-F401 WeakPolarHBondContact CB-O 3.26Å; G374-F401 VanDerWaalsContact C-CE1 3.47Å; G374-F401 VanDerWaalsContact CA-CZ 3.5Å; G374-F401 PolarHBondContact N-O 2.91Å; G374-F401 PolarHBondContact O-N 2.98Å; F399-F401 HydrophobicContact CD2-CD1 4.14Å; F399-F401 AromaticContact CE2-CD1 3.8Å; F399-F401 HydrophobicContact CE2-CD1 3.8Å; F401-F403 HydrophobicContact CD2-CD2 4.11Å; F401-F403 AromaticContact CD2-CE2 3.41Å; F401-F403 HydrophobicContact CD2-CE2 3.41Å; F401-F403 VanDerWaalsContact CD2-CE2 3.41Å; F401-F403 HydrophobicContact CD2-CZ 4.14Å; F401-F403 HydrophobicContact CE2-CD2 4.44Å; F401-F403 AromaticContact CE2-CE2 3.69Å; F401-F403 HydrophobicContact CE2-CE2 3.69Å; F401-F403 HydrophobicContact CG-CE2 4.47Å; F401-A408 CarbonylContact C-O 3.56Å; F401-A408 VanDerWaalsContact CA-O 3.24Å; F401-A408 WeakPolarHBondContact CA-O 3.44Å
402Q92.6Very high90Very high19 Ų1942.6 Ų42.69%0.08924%0.24CC..EExtended strand (participates in β ladder)trans-139.7157.1170.366.3177.746.600109.2F373 K406 A407 A408 F410 L461F373-Q402 HydrophobicContact CB-CB 3.86Å; Q402-K406 PolarHBondContact NE2-O 3.45Å; Q402-A407 CarbonylContact O-C 3.36Å; Q402-A407 WeakPolarHBondContact O-CA 3.48Å; Q402-A408 HydrophobicContact CG-CB 4.07Å; Q402-A408 PolarHBondContact N-O 3.15Å; Q402-A408 PolarHBondContact O-N 3.46Å; Q402-F410 HydrophobicContact CG-CE2 4Å; Q402-F410 HydrophobicContact CG-CZ 4.46Å; Q402-L461 HydrophobicContact CB-CD2 4.4Å; Q402-L461 PolarHBondContact OE1-O 3.49Å
403F87.3Confident90.3Very high23 Ų2339 Ų3910%0.10123%0.228CC..  trans-116.5-27.6175.5-67.2-79.2000113.2V318 L321 L322 W325 I372 F401 K406 A407V318-F403 HydrophobicContact CB-CD1 4.38Å; V318-F403 HydrophobicContact CB-CG 4.4Å; V318-F403 HydrophobicContact CG1-CB 4.32Å; V318-F403 HydrophobicContact CG1-CD1 3.68Å; V318-F403 HydrophobicContact CG1-CD2 3.23Å; V318-F403 HydrophobicContact CG1-CE1 3.72Å; V318-F403 HydrophobicContact CG1-CE2 3.25Å; V318-F403 HydrophobicContact CG1-CG 3.45Å; V318-F403 VanDerWaalsContact CG1-CG 3.45Å; V318-F403 HydrophobicContact CG1-CZ 3.52Å; V318-F403 HydrophobicContact CG2-CB 4.48Å; V318-F403 HydrophobicContact CG2-CD1 4.45Å; V318-F403 HydrophobicContact CG2-CG 4.32Å; V318-F403 WeakPolarHBondContact O-CE1 3.4Å; V318-F403 WeakPolarHBondContact O-CZ 3.42Å; L321-F403 HydrophobicContact CB-CE1 4.02Å; L321-F403 HydrophobicContact CD2-CD1 4.28Å; L321-F403 HydrophobicContact CD2-CE1 3.93Å; L321-F403 HydrophobicContact CG-CE1 4.06Å; L322-F403 HydrophobicContact CB-CZ 3.84Å; L322-F403 HydrophobicContact CD1-CZ 4.47Å; W325-F403 HydrophobicContact CE3-CZ 4.41Å; W325-F403 AromaticContact CH2-CE1 3.91Å; W325-F403 HydrophobicContact CH2-CE1 3.91Å; W325-F403 HydrophobicContact CH2-CZ 4.25Å; W325-F403 AromaticContact CZ3-CE1 3.73Å; W325-F403 HydrophobicContact CZ3-CE1 3.73Å; W325-F403 HydrophobicContact CZ3-CE2 4.39Å; W325-F403 AromaticContact CZ3-CZ 3.59Å; W325-F403 HydrophobicContact CZ3-CZ 3.59Å; I372-F403 HydrophobicContact CB-CB 4.44Å; I372-F403 HydrophobicContact CB-CD2 4.34Å; I372-F403 HydrophobicContact CG2-CD2 3.96Å; I372-F403 PolarHBondContact O-N 3.16Å; F401-F403 HydrophobicContact CD2-CD2 4.11Å; F401-F403 AromaticContact CD2-CE2 3.41Å; F401-F403 HydrophobicContact CD2-CE2 3.41Å; F401-F403 VanDerWaalsContact CD2-CE2 3.41Å; F401-F403 HydrophobicContact CD2-CZ 4.14Å; F401-F403 HydrophobicContact CE2-CD2 4.44Å; F401-F403 AromaticContact CE2-CE2 3.69Å; F401-F403 HydrophobicContact CE2-CE2 3.69Å; F401-F403 HydrophobicContact CG-CE2 4.47Å; F403-K406 CarbonylContact O-C 3.57Å; F403-A407 HydrophobicContact CD1-CB 3.98Å; F403-A407 PolarHBondContact O-N 3.43Å
404T74.7Confident90.2Very high56 Ų5638.7 Ų38.734%0.34423%0.23SC..SBendtrans-115.7134.8-179.3-48.50000109.3Q371Q371-T404 HydrophobicContact CG-CG2 4.06Å
405P74.1Confident90Very high113 Ų11341.2 Ų41.273%0.73424%0.238SC*.SBendcis-76.8-21.6-1.831.3-35.6000113.9
406K82.2Confident89.7Confident163 Ų16347.5 Ų47.571%0.70926%0.263SS*.SBendtrans-135.6137.8176.7-176.2179.7178.4-177.80109.1Q402 F403 A408Q402-K406 PolarHBondContact NE2-O 3.45Å; F403-K406 CarbonylContact O-C 3.57Å; K406-A408 PolarHBondContact O-N 2.89Å
407A87.7Confident89.3Confident39 Ų3951.3 Ų51.332%0.32228%0.275SS..  trans-62.8126.7176.300000111.8L321 W325 Q402 F403L321-A407 HydrophobicContact CD2-CB 3.34Å; W325-A407 HydrophobicContact CH2-CB 4.09Å; Q402-A407 CarbonylContact O-C 3.36Å; Q402-A407 WeakPolarHBondContact O-CA 3.48Å; F403-A407 HydrophobicContact CD1-CB 3.98Å; F403-A407 PolarHBondContact O-N 3.43Å
408A92.6Very high88.6Confident28 Ų2855.1 Ų55.123%0.23130%0.303CS..EExtended strand (participates in β ladder)trans-149145.6179.700000110.6F401 Q402 K406 F410F401-A408 CarbonylContact C-O 3.56Å; F401-A408 VanDerWaalsContact CA-O 3.24Å; F401-A408 WeakPolarHBondContact CA-O 3.44Å; Q402-A408 HydrophobicContact CG-CB 4.07Å; Q402-A408 PolarHBondContact N-O 3.15Å; Q402-A408 PolarHBondContact O-N 3.46Å; K406-A408 PolarHBondContact O-N 2.89Å; A408-F410 HydrophobicContact CB-CE1 4.31Å; A408-F410 HydrophobicContact CB-CE2 3.97Å; A408-F410 HydrophobicContact CB-CZ 3.69Å
409C94.3Very high88.1Confident42 Ų4263.9 Ų63.928%0.28434%0.341SS..EExtended strand (participates in β ladder)trans-118.4129.7172.9176.50000108.8W325 F399 L400W325-C409 HydrophobicContact CB-CB 4.46Å; W325-C409 HydrophobicContact CD2-CB 3.52Å; W325-C409 HydrophobicContact CE3-CB 3.96Å; W325-C409 HydrophobicContact CG-CB 3.76Å; W325-C409 HydrophobicContact CH2-CB 4.43Å; W325-C409 HydrophobicContact CZ2-CB 4.06Å; W325-C409 HydrophobicContact CZ3-CB 4.41Å; F399-C409 WeakPolarHBondContact CD2-SG 3.26Å; L400-C409 CarbonylContact O-C 3.55Å; L400-C409 WeakPolarHBondContact O-CA 3.45Å
410F96Very high87.5Confident34 Ų3465.4 Ų65.415%0.14935%0.35CS..EExtended strand (participates in β ladder)trans-114.690.7-178.3-50.3-83.4000108.5F399 L400 Q402 A408 F456 N458 P459 L461F399-F410 WeakPolarHBondContact CA-O 3.41Å; F399-F410 WeakPolarHBondContact CB-O 3.35Å; L400-F410 HydrophobicContact CB-CB 4.2Å; L400-F410 HydrophobicContact CB-CD2 4.16Å; L400-F410 PolarHBondContact N-O 3.23Å; L400-F410 PolarHBondContact O-N 3.46Å; Q402-F410 HydrophobicContact CG-CE2 4Å; Q402-F410 HydrophobicContact CG-CZ 4.46Å; A408-F410 HydrophobicContact CB-CE1 4.31Å; A408-F410 HydrophobicContact CB-CE2 3.97Å; A408-F410 HydrophobicContact CB-CZ 3.69Å; F410-F456 HydrophobicContact CB-CB 4.06Å; F410-F456 WeakPolarHBondContact O-CD1 3.5Å; F410-N458 HydrophobicContact CB-CB 3.88Å; F410-N458 HydrophobicContact CD1-CB 3.8Å; F410-N458 HydrophobicContact CD2-CB 3.82Å; F410-N458 HydrophobicContact CE1-CB 4.28Å; F410-N458 HydrophobicContact CE2-CB 4.27Å; F410-N458 HydrophobicContact CG-CB 3.56Å; F410-N458 HydrophobicContact CZ-CB 4.49Å; F410-P459 HydrophobicContact CE1-CG 4.18Å; F410-P459 HydrophobicContact CZ-CG 4.02Å; F410-L461 HydrophobicContact CD2-CD2 3.88Å; F410-L461 HydrophobicContact CE2-CD2 3.63Å
411S95.1Very high87.2Confident58 Ų5868.3 Ų68.341%0.40637%0.371SS..EExtended strand (participates in β ladder)trans-74.7164.2175.9-490000111.5V413S411-V413 PolarHBondContact O-N 3.09Å
412W95.5Very high86.7Confident50 Ų5075.4 Ų75.419%0.18940%0.404CS..  trans-55.5130.5176.5175.750.4000112.9G396 G414 L415 V420 E424 E425 F427 T455G396-W412 VanDerWaalsContact CA-CE3 3.46Å; W412-G414 VanDerWaalsContact CE2-CA 3.49Å; W412-G414 PolarHBondContact O-N 3.32Å; W412-L415 HydrophobicContact CB-CG 4.48Å; W412-L415 HydrophobicContact CE3-CD2 4.21Å; W412-L415 HydrophobicContact CE3-CG 4.24Å; W412-L415 WeakPolarHBondContact O-CB 3.46Å; W412-L415 WeakPolarHBondContact O-CG 3.49Å; W412-L415 PolarHBondContact O-N 3.34Å; W412-L415 VanDerWaalsContact O-N 3.16Å; W412-V420 HydrophobicContact CH2-CG2 4.4Å; W412-V420 HydrophobicContact CZ2-CB 4.38Å; W412-V420 HydrophobicContact CZ2-CG1 3.95Å; W412-V420 HydrophobicContact CZ2-CG2 3.97Å; W412-E424 VanDerWaalsContact CD1-O 3.29Å; W412-E424 PolarHBondContact NE1-O 3.26Å; W412-E425 HydrophobicContact CZ2-CG 4.48Å; W412-F427 HydrophobicContact CB-CE1 4.06Å; W412-F427 AromaticContact CD1-CE1 3.4Å; W412-F427 VanDerWaalsContact CD1-CE1 3.4Å; W412-F427 AromaticContact CD1-CZ 3.92Å; W412-F427 AromaticContact CD2-CE1 3.87Å; W412-F427 HydrophobicContact CD2-CE1 3.87Å; W412-F427 AromaticContact CD2-CZ 3.95Å; W412-F427 HydrophobicContact CD2-CZ 3.95Å; W412-F427 AromaticContact CE2-CE1 3.91Å; W412-F427 AromaticContact CE2-CZ 3.63Å; W412-F427 AromaticContact CG-CE1 3.54Å; W412-F427 HydrophobicContact CG-CE1 3.54Å; W412-F427 HydrophobicContact CG-CZ 4.11Å; W412-F427 HydrophobicContact CZ2-CZ 4.04Å; W412-F427 AromaticContact NE1-CE1 3.65Å; W412-F427 AromaticContact NE1-CZ 3.65Å; W412-T455 CarbonylContact C-O 3.52Å; W412-T455 WeakPolarHBondContact CA-O 3.09Å
413V92.9Very high86.4Confident18 Ų1875.7 Ų75.711%0.10941%0.411CS..G310 helixtrans-63.5-23.4-179.4-61.80000113.7S411 L415 E416 K417 E424 D454 T455 N457S411-V413 PolarHBondContact O-N 3.09Å; V413-L415 PolarHBondContact O-N 3.29Å; V413-L415 VanDerWaalsContact O-N 3.13Å; V413-E416 PolarHBondContact O-N 3Å; V413-E416 VanDerWaalsContact O-N 3.16Å; V413-K417 HydrophobicContact CB-CD 4.49Å; V413-K417 HydrophobicContact CG2-CD 4.49Å; V413-K417 PolarHBondContact O-N 3.08Å; V413-E424 HydrophobicContact CG2-CB 3.77Å; V413-E424 HydrophobicContact CG2-CG 3.72Å; V413-D454 WeakPolarHBondContact CG1-O 3.41Å; V413-D454 WeakPolarHBondContact CG2-O 3.26Å; V413-T455 WeakPolarHBondContact CG2-O 3.49Å; V413-T455 PolarHBondContact N-O 2.86Å; V413-N457 HydrophobicContact CG1-CB 3.39Å
414G88.9Confident86.6Confident12 Ų1275.5 Ų75.512%0.12441%0.411CS..G310 helixtrans-65.6-11177.100000114W412 E416W412-G414 VanDerWaalsContact CE2-CA 3.49Å; W412-G414 PolarHBondContact O-N 3.32Å; G414-E416 VanDerWaalsContact C-N 3.26Å; G414-E416 PolarHBondContact O-N 3.45Å
415L82.1Confident87.2Confident73 Ų7377.3 Ų77.338%0.38242%0.415SS..G310 helixtrans-66.8-26.9172.5-62.7174.4000112.8M288 W412 V413M288-L415 HydrophobicContact SD-CB 4.43Å; M288-L415 HydrophobicContact SD-CD2 3.8Å; W412-L415 HydrophobicContact CB-CG 4.48Å; W412-L415 HydrophobicContact CE3-CD2 4.21Å; W412-L415 HydrophobicContact CE3-CG 4.24Å; W412-L415 WeakPolarHBondContact O-CB 3.46Å; W412-L415 WeakPolarHBondContact O-CG 3.49Å; W412-L415 PolarHBondContact O-N 3.34Å; W412-L415 VanDerWaalsContact O-N 3.16Å; V413-L415 PolarHBondContact O-N 3.29Å; V413-L415 VanDerWaalsContact O-N 3.13Å
416E82.7Confident88Confident183 Ų18373.9 Ų73.986%0.85539%0.39SS*.THydrogen-bonded Turntrans-110.7-9.9-176.6-59.9-172.8167.900113.2V413 G414V413-E416 PolarHBondContact O-N 3Å; V413-E416 VanDerWaalsContact O-N 3.16Å; G414-E416 VanDerWaalsContact C-N 3.26Å; G414-E416 PolarHBondContact O-N 3.45Å
417K83.2Confident88.5Confident99 Ų9966.9 Ų66.943%0.4336%0.36SS..  trans-106.5136.3-174.6-64.4-177.3-177.1-1780111.9V413 K419 V420 E424V413-K417 HydrophobicContact CB-CD 4.49Å; V413-K417 HydrophobicContact CG2-CD 4.49Å; V413-K417 PolarHBondContact O-N 3.08Å; K417-K419 VanDerWaalsContact C-N 3.34Å; K417-V420 HydrophobicContact CB-CG2 4.47Å; K417-E424 IonicContact NZ-OE1 3.56Å; K417-E424 PolarHBondContact NZ-OE1 3.37Å
418T77Confident88.8Confident140 Ų14065 Ų6586%0.85935%0.345SS*.SBendtrans-77.6-19.8174.954.70000113.9
419K83.4Confident88.6Confident185 Ų18563.8 Ų63.880%0.80433%0.334SS*.SBendtrans-136.7129174.9-73.8-174.1178.7-178.70107.3K417K417-K419 VanDerWaalsContact C-N 3.34Å
420V84.5Confident88.4Confident38 Ų3862 Ų6223%0.2332%0.323CS..  trans-112.2135.3-179.2-171.60000107.2W412 K417 E424 E425W412-V420 HydrophobicContact CH2-CG2 4.4Å; W412-V420 HydrophobicContact CZ2-CB 4.38Å; W412-V420 HydrophobicContact CZ2-CG1 3.95Å; W412-V420 HydrophobicContact CZ2-CG2 3.97Å; K417-V420 HydrophobicContact CB-CG2 4.47Å; V420-E424 HydrophobicContact CG1-CB 3.34Å; V420-E424 HydrophobicContact CG1-CG 4.39Å; V420-E425 HydrophobicContact CB-CG 4.46Å; V420-E425 HydrophobicContact CG1-CG 3.82Å
421S88.7Confident87.8Confident62 Ų6262.4 Ų62.443%0.43433%0.327SS..  trans-79.9159.3174.867.30000110.4G423 E424S421-G423 VanDerWaalsContact C-N 3.26Å; S421-G423 PolarHBondContact O-N 3.35Å; S421-E424 WeakPolarHBondContact CB-OE2 3.34Å; S421-E424 PolarHBondContact N-OE2 3.16Å; S421-E424 WeakPolarHBondContact O-CB 3.43Å; S421-E424 PolarHBondContact O-N 2.86Å; S421-E424 VanDerWaalsContact OG-CD 3.23Å; S421-E424 VanDerWaalsContact OG-CG 3.29Å; S421-E424 WeakPolarHBondContact OG-CG 3.46Å; S421-E424 PolarHBondContact OG-OE2 3.43Å
422H85.8Confident87.4Confident149 Ų14962.6 Ų62.669%0.6933%0.332SS*.G310 helixtrans-58.3-37.2-177.7-177.955.7000113.3E424 E425H422-E424 PolarHBondContact O-N 2.57Å; H422-E425 PolarHBondContact O-N 2.84Å; H422-E425 VanDerWaalsContact O-N 3.12Å
423G85.4Confident86.9Confident24 Ų2463.9 Ų63.925%0.24735%0.345CS..G310 helixtrans-65-24.1177.800000113.7S421 E425 T455S421-G423 VanDerWaalsContact C-N 3.26Å; S421-G423 PolarHBondContact O-N 3.35Å; G423-E425 VanDerWaalsContact C-N 3.32Å; G423-T455 PolarHBondContact O-OG1 3.28Å
424E91Very high86.5Confident20 Ų2064 Ų649%0.09335%0.346CS..G310 helixtrans-85.9-2.8177.6-64.7168.2134.900112.5W412 V413 K417 V420 S421 H422 D454 T455W412-E424 VanDerWaalsContact CD1-O 3.29Å; W412-E424 PolarHBondContact NE1-O 3.26Å; V413-E424 HydrophobicContact CG2-CB 3.77Å; V413-E424 HydrophobicContact CG2-CG 3.72Å; K417-E424 IonicContact NZ-OE1 3.56Å; K417-E424 PolarHBondContact NZ-OE1 3.37Å; V420-E424 HydrophobicContact CG1-CB 3.34Å; V420-E424 HydrophobicContact CG1-CG 4.39Å; S421-E424 WeakPolarHBondContact CB-OE2 3.34Å; S421-E424 PolarHBondContact N-OE2 3.16Å; S421-E424 WeakPolarHBondContact O-CB 3.43Å; S421-E424 PolarHBondContact O-N 2.86Å; S421-E424 VanDerWaalsContact OG-CD 3.23Å; S421-E424 VanDerWaalsContact OG-CG 3.29Å; S421-E424 WeakPolarHBondContact OG-CG 3.46Å; S421-E424 PolarHBondContact OG-OE2 3.43Å; H422-E424 PolarHBondContact O-N 2.57Å; E424-D454 HydrophobicContact CG-CB 3.89Å; E424-T455 WeakPolarHBondContact O-CG2 3.22Å
425E88.9Confident86.6Confident94 Ų9463.5 Ų63.544%0.43934%0.34SS..G310 helixtrans-10514.1177.1-61.9-177.4163.400112.2W412 V420 H422 G423 F427W412-E425 HydrophobicContact CZ2-CG 4.48Å; V420-E425 HydrophobicContact CB-CG 4.46Å; V420-E425 HydrophobicContact CG1-CG 3.82Å; H422-E425 PolarHBondContact O-N 2.84Å; H422-E425 VanDerWaalsContact O-N 3.12Å; G423-E425 VanDerWaalsContact C-N 3.32Å; E425-F427 HydrophobicContact CB-CE2 4.46Å; E425-F427 VanDerWaalsContact O-CD2 3.32Å; E425-F427 WeakPolarHBondContact O-CD2 3.44Å; E425-F427 WeakPolarHBondContact O-CE2 3.21Å; E425-F427 PolarHBondContact O-N 2.73Å
426L90.6Very high87Confident40 Ų4061.7 Ų61.721%0.20933%0.33CS..  trans-96.181.1-177.1-56.9-173.7000110.1Y392 T455Y392-L426 HydrophobicContact CD1-CB 3.53Å; Y392-L426 HydrophobicContact CD1-CD2 4.34Å; Y392-L426 HydrophobicContact CD1-CG 4.39Å; Y392-L426 HydrophobicContact CD2-CB 4.32Å; Y392-L426 HydrophobicContact CD2-CD1 4.36Å; Y392-L426 HydrophobicContact CD2-CD2 3.71Å; Y392-L426 HydrophobicContact CD2-CG 4.33Å; Y392-L426 HydrophobicContact CE1-CB 3.74Å; Y392-L426 HydrophobicContact CE2-CD1 4.13Å; Y392-L426 HydrophobicContact CE2-CD2 4.31Å; Y392-L426 HydrophobicContact CG-CB 3.83Å; Y392-L426 HydrophobicContact CG-CD2 3.71Å; Y392-L426 HydrophobicContact CG-CG 4.24Å; L426-T455 PolarHBondContact N-OG1 3.33Å; L426-T455 PolarHBondContact O-OG1 3Å
427F92.2Very high87.5Confident16 Ų1653 Ų537%0.0729%0.29CS..  trans-80.3-61.8-171.4-55.3-79.7000114F393 T395 G396 W412 E425 V437 T455 F456F393-F427 WeakPolarHBondContact O-CB 3.45Å; T395-F427 WeakPolarHBondContact O-CD1 3.49Å; G396-F427 VanDerWaalsContact CA-CE1 3.49Å; W412-F427 HydrophobicContact CB-CE1 4.06Å; W412-F427 AromaticContact CD1-CE1 3.4Å; W412-F427 VanDerWaalsContact CD1-CE1 3.4Å; W412-F427 AromaticContact CD1-CZ 3.92Å; W412-F427 AromaticContact CD2-CE1 3.87Å; W412-F427 HydrophobicContact CD2-CE1 3.87Å; W412-F427 AromaticContact CD2-CZ 3.95Å; W412-F427 HydrophobicContact CD2-CZ 3.95Å; W412-F427 AromaticContact CE2-CE1 3.91Å; W412-F427 AromaticContact CE2-CZ 3.63Å; W412-F427 AromaticContact CG-CE1 3.54Å; W412-F427 HydrophobicContact CG-CE1 3.54Å; W412-F427 HydrophobicContact CG-CZ 4.11Å; W412-F427 HydrophobicContact CZ2-CZ 4.04Å; W412-F427 AromaticContact NE1-CE1 3.65Å; W412-F427 AromaticContact NE1-CZ 3.65Å; E425-F427 HydrophobicContact CB-CE2 4.46Å; E425-F427 VanDerWaalsContact O-CD2 3.32Å; E425-F427 WeakPolarHBondContact O-CD2 3.44Å; E425-F427 WeakPolarHBondContact O-CE2 3.21Å; E425-F427 PolarHBondContact O-N 2.73Å; F427-V437 WeakPolarHBondContact O-CA 3.35Å; F427-V437 WeakPolarHBondContact O-CG1 3.25Å; F427-T455 HydrophobicContact CD1-CG2 3.5Å; F427-T455 HydrophobicContact CE1-CG2 3.72Å; F427-T455 HydrophobicContact CG-CG2 4.28Å; F427-F456 HydrophobicContact CD1-CE1 4.44Å; F427-F456 HydrophobicContact CD1-CZ 4.39Å
428Q93.3Very high87.7Confident0 Ų049 Ų490%028%0.278CS..BIsolated β-bridgetrans-136.4140.3-178.852.4-173.5101.800110.5E379 Y392 F393 I436 V437E379-Q428 PolarHBondContact O-NE2 3.27Å; Y392-Q428 CarbonylContact C-O 3.57Å; Y392-Q428 VanDerWaalsContact CA-O 3.27Å; Y392-Q428 WeakPolarHBondContact CA-O 3.4Å; F393-Q428 WeakPolarHBondContact CD1-O 3.38Å; F393-Q428 HydrophobicContact CD2-CG 3.51Å; F393-Q428 VanDerWaalsContact CD2-NE2 3.33Å; F393-Q428 HydrophobicContact CE2-CG 3.76Å; F393-Q428 HydrophobicContact CG-CG 4.05Å; F393-Q428 HydrophobicContact CZ-CG 4.42Å; F393-Q428 PolarHBondContact N-O 3.09Å; F393-Q428 WeakPolarHBondContact O-CG 3.47Å; F393-Q428 PolarHBondContact O-N 3.3Å; F393-Q428 VanDerWaalsContact O-O 3.12Å; Q428-I436 CarbonylContact C-O 3.58Å; Q428-I436 VanDerWaalsContact CA-O 3.24Å; Q428-I436 WeakPolarHBondContact CA-O 3.36Å; Q428-V437 HydrophobicContact CB-CG1 4.49Å; Q428-V437 HydrophobicContact CB-CG2 3.86Å
429C89.6Confident88.3Confident2 Ų242.5 Ų42.51%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-141.4138.2175.5167.60000108Y392 I436Y392-C429 HydrophobicContact CD1-CB 3.56Å; Y392-C429 HydrophobicContact CD2-CB 4.24Å; Y392-C429 HydrophobicContact CE1-CB 3.59Å; Y392-C429 HydrophobicContact CE2-CB 4.26Å; Y392-C429 HydrophobicContact CG-CB 3.92Å; C429-I436 HydrophobicContact CB-CB 4.2Å; C429-I436 PolarHBondContact N-O 3.43Å; C429-I436 WeakPolarHBondContact O-CA 3.19Å; C429-I436 WeakPolarHBondContact O-CB 3.38Å; C429-I436 PolarHBondContact O-N 3Å
430A89.8Confident88.6Confident5 Ų534.1 Ų34.14%0.04120%0.202CC..EExtended strand (participates in β ladder)trans-146.7154.8176.700000110.7W352 W381 R384 F393 T434W352-A430 HydrophobicContact CH2-CB 3.53Å; W352-A430 HydrophobicContact CZ2-CB 3.76Å; W352-A430 HydrophobicContact CZ3-CB 4.44Å; W381-A430 HydrophobicContact CE3-CB 3.99Å; W381-A430 HydrophobicContact CZ3-CB 3.97Å; R384-A430 HydrophobicContact CB-CB 4.03Å; F393-A430 HydrophobicContact CZ-CB 4.36Å; A430-T434 CarbonylContact C-O 3.41Å; A430-T434 WeakPolarHBondContact CA-O 3.49Å; A430-T434 WeakPolarHBondContact CB-O 3.44Å
431D84.1Confident88.8Confident43 Ų4332.3 Ų32.323%0.2319%0.191CC..  trans-130.8-151.3168.465.828.1000110.1W352 R384 T433 T434W352-D431 PolarHBondContact NE1-O 3Å; W352-D431 VanDerWaalsContact NE1-O 3.12Å; R384-D431 PolarHBondContact NH1-O 3.4Å; D431-T433 VanDerWaalsContact C-N 3.35Å; D431-T433 PolarHBondContact OD1-N 3.08Å; D431-T434 PolarHBondContact N-O 2.92Å; D431-T434 WeakPolarHBondContact OD1-CA 3.2Å; D431-T434 WeakPolarHBondContact OD1-CB 3.48Å; D431-T434 PolarHBondContact OD1-N 3.23Å; D431-T434 PolarHBondContact OD1-OG1 2.88Å; D431-T434 PolarHBondContact OD2-OG1 3.44Å
432A85.5Confident88.3Confident62 Ų6236.1 Ų36.151%0.51220%0.196SC..SBendtrans-73-26.7178.300000113.3F348 W352F348-A432 WeakPolarHBondContact CB-O 3.48Å; W352-A432 PolarHBondContact NE1-O 2.86Å
433T84.5Confident87.7Confident76 Ų7636 Ų3647%0.46620%0.196SC..SBendtrans-134.39.1-16955.40000113.5F348 D431 R442 Q443F348-T433 WeakPolarHBondContact CE2-O 3.27Å; D431-T433 VanDerWaalsContact C-N 3.35Å; D431-T433 PolarHBondContact OD1-N 3.08Å; T433-R442 CarbonylContact O-C 3.6Å; T433-Q443 PolarHBondContact O-N 2.93Å
434T85.2Confident87.4Confident22 Ų2237.5 Ų37.514%0.13520%0.2CC..EExtended strand (participates in β ladder)trans-141.7139-173.6-44.90000110.2A430 D431 I436 I441 R442A430-T434 CarbonylContact C-O 3.41Å; A430-T434 WeakPolarHBondContact CA-O 3.49Å; A430-T434 WeakPolarHBondContact CB-O 3.44Å; D431-T434 PolarHBondContact N-O 2.92Å; D431-T434 WeakPolarHBondContact OD1-CA 3.2Å; D431-T434 WeakPolarHBondContact OD1-CB 3.48Å; D431-T434 PolarHBondContact OD1-N 3.23Å; D431-T434 PolarHBondContact OD1-OG1 2.88Å; D431-T434 PolarHBondContact OD2-OG1 3.44Å; T434-I436 HydrophobicContact CG2-CD1 4.1Å; T434-I436 HydrophobicContact CG2-CG1 3.85Å; T434-I441 WeakPolarHBondContact CA-O 3.37Å; T434-R442 HydrophobicContact CG2-CG 4.26Å
435L90.7Very high87.1Confident0 Ų036.5 Ų36.50%020%0.195CC..EExtended strand (participates in β ladder)trans-129.2132.2168.6175.6160.5000108.4F348 W352 L363 W381 V437 L439 S440 I441F348-L435 HydrophobicContact CE1-CB 3.77Å; F348-L435 HydrophobicContact CZ-CB 4.21Å; W352-L435 HydrophobicContact CH2-CB 4.02Å; W352-L435 HydrophobicContact CH2-CD1 3.87Å; W352-L435 HydrophobicContact CH2-CG 4.25Å; W352-L435 HydrophobicContact CZ2-CB 4.37Å; W352-L435 HydrophobicContact CZ3-CD1 4.36Å; L363-L435 HydrophobicContact CD1-CD1 3.88Å; L363-L435 HydrophobicContact CD1-CD2 3.63Å; L363-L435 HydrophobicContact CD1-CG 4.35Å; L363-L435 HydrophobicContact CD2-CD1 4.41Å; W381-L435 HydrophobicContact CE3-CD1 4.44Å; W381-L435 HydrophobicContact CH2-CD1 3.41Å; W381-L435 VanDerWaalsContact CH2-CD1 3.41Å; W381-L435 HydrophobicContact CH2-CD2 4.02Å; W381-L435 HydrophobicContact CH2-CG 3.47Å; W381-L435 VanDerWaalsContact CH2-CG 3.47Å; W381-L435 HydrophobicContact CZ2-CD1 3.85Å; W381-L435 HydrophobicContact CZ2-CG 4.38Å; W381-L435 HydrophobicContact CZ3-CD1 3.76Å; W381-L435 HydrophobicContact CZ3-CG 3.65Å; L435-V437 HydrophobicContact CD2-CG2 3.95Å; L435-L439 HydrophobicContact CD2-CD1 4.35Å; L435-S440 CarbonylContact O-C 3.52Å; L435-S440 VanDerWaalsContact O-CA 3.32Å; L435-S440 WeakPolarHBondContact O-CA 3.33Å; L435-I441 PolarHBondContact N-O 3.16Å; L435-I441 PolarHBondContact O-N 2.92Å
436I92Very high86.6Confident35 Ų3536.6 Ų36.618%0.17920%0.196CC..EExtended strand (participates in β ladder)trans-133.5122.1-178.3-53179.9000109.1Y392 Q428 C429 T434 L439Y392-I436 HydrophobicContact CE1-CG2 4.41Å; Q428-I436 CarbonylContact C-O 3.58Å; Q428-I436 VanDerWaalsContact CA-O 3.24Å; Q428-I436 WeakPolarHBondContact CA-O 3.36Å; C429-I436 HydrophobicContact CB-CB 4.2Å; C429-I436 PolarHBondContact N-O 3.43Å; C429-I436 WeakPolarHBondContact O-CA 3.19Å; C429-I436 WeakPolarHBondContact O-CB 3.38Å; C429-I436 PolarHBondContact O-N 3Å; T434-I436 HydrophobicContact CG2-CD1 4.1Å; T434-I436 HydrophobicContact CG2-CG1 3.85Å; I436-L439 CarbonylContact C-O 3.57Å; I436-L439 VanDerWaalsContact CA-O 3.24Å; I436-L439 WeakPolarHBondContact CA-O 3.11Å
437V91.8Very high86.3Confident0 Ų042 Ų420%021%0.214CC..SBendtrans-145.560.4173.2-168.20000108.4L363 A375 W381 L400 F427 Q428 L435 L439L363-V437 HydrophobicContact CD1-CG2 4.21Å; A375-V437 HydrophobicContact CB-CB 4.07Å; A375-V437 HydrophobicContact CB-CG1 3.75Å; W381-V437 HydrophobicContact CH2-CG2 3.59Å; W381-V437 HydrophobicContact CZ2-CG2 4.39Å; W381-V437 HydrophobicContact CZ3-CG2 4.46Å; L400-V437 WeakPolarHBondContact CD2-O 3.26Å; F427-V437 WeakPolarHBondContact O-CA 3.35Å; F427-V437 WeakPolarHBondContact O-CG1 3.25Å; Q428-V437 HydrophobicContact CB-CG1 4.49Å; Q428-V437 HydrophobicContact CB-CG2 3.86Å; L435-V437 HydrophobicContact CD2-CG2 3.95Å; V437-L439 PolarHBondContact N-O 3.31Å; V437-L439 PolarHBondContact O-N 3.37Å
438G88Confident86.2Confident17 Ų1741.6 Ų41.618%0.17521%0.214CC..SBendtrans67.5-21-168.500000115.7
439L90.7Very high85.9Confident2 Ų242.5 Ų42.51%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-104.4158.8154.564.788.8000109.4I365 F373 L400 L435 I436 V437 I441 S449 L461I365-L439 HydrophobicContact CD1-CD1 3.85Å; I365-L439 HydrophobicContact CD1-CD2 3.81Å; F373-L439 HydrophobicContact CD2-CD2 4.15Å; F373-L439 HydrophobicContact CE2-CD2 4.16Å; L400-L439 HydrophobicContact CD2-CD2 4.22Å; L435-L439 HydrophobicContact CD2-CD1 4.35Å; I436-L439 CarbonylContact C-O 3.57Å; I436-L439 VanDerWaalsContact CA-O 3.24Å; I436-L439 WeakPolarHBondContact CA-O 3.11Å; V437-L439 PolarHBondContact N-O 3.31Å; V437-L439 PolarHBondContact O-N 3.37Å; L439-I441 HydrophobicContact CD1-CD1 4.2Å; L439-I441 HydrophobicContact CD1-CG1 3.86Å; L439-S449 CarbonylContact C-O 3.57Å; L439-S449 WeakPolarHBondContact CA-O 3.27Å; L439-L461 HydrophobicContact CB-CD1 4.48Å; L439-L461 HydrophobicContact CD2-CD1 4.04Å
440S88.5Confident86.1Confident9 Ų942.4 Ų42.46%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-123.5135172.989.40000111.6L435 R442 G448 S449L435-S440 CarbonylContact O-C 3.52Å; L435-S440 VanDerWaalsContact O-CA 3.32Å; L435-S440 WeakPolarHBondContact O-CA 3.33Å; S440-R442 PolarHBondContact OG-NE 2.87Å; S440-G448 CarbonylContact O-C 3.5Å; S440-G448 WeakPolarHBondContact O-CA 3.21Å; S440-S449 PolarHBondContact N-O 2.76Å; S440-S449 PolarHBondContact O-N 3.39Å; S440-S449 PolarHBondContact OG-OG 3.05Å
441I89.7Confident86Confident0 Ų045.5 Ų45.50%024%0.235CC..EExtended strand (participates in β ladder)trans-118134.2169.5-55.6176.3000106.8F348 I365 T434 L435 L439 L445 I469 F472F348-I441 HydrophobicContact CE2-CG2 4.44Å; F348-I441 HydrophobicContact CZ-CB 4.31Å; F348-I441 HydrophobicContact CZ-CG2 4.03Å; I365-I441 HydrophobicContact CD1-CD1 3.82Å; I365-I441 HydrophobicContact CD1-CG1 4.46Å; I365-I441 HydrophobicContact CG1-CD1 4.35Å; T434-I441 WeakPolarHBondContact CA-O 3.37Å; L435-I441 PolarHBondContact N-O 3.16Å; L435-I441 PolarHBondContact O-N 2.92Å; L439-I441 HydrophobicContact CD1-CD1 4.2Å; L439-I441 HydrophobicContact CD1-CG1 3.86Å; I441-L445 HydrophobicContact CG2-CD2 3.71Å; I441-I469 HydrophobicContact CD1-CD1 4.05Å; I441-I469 HydrophobicContact CG1-CD1 4.15Å; I441-I469 HydrophobicContact CG2-CD1 3.82Å; I441-F472 HydrophobicContact CD1-CD2 4.28Å; I441-F472 HydrophobicContact CD1-CE2 4.04Å; I441-F472 HydrophobicContact CD1-CZ 4.19Å
442R77.8Confident86.5Confident143 Ų14348.2 Ų48.254%0.5425%0.246SC..EExtended strand (participates in β ladder)trans-129.9159.7-173.4-56.3-176.1-173.6-170.5-0.1111.4T433 T434 S440 T444 L445 R447T433-R442 CarbonylContact O-C 3.6Å; T434-R442 HydrophobicContact CG2-CG 4.26Å; S440-R442 PolarHBondContact OG-NE 2.87Å; R442-T444 PolarHBondContact O-N 3.14Å; R442-L445 PolarHBondContact O-N 3.3Å; R442-R447 PolarHBondContact N-O 3.31Å
443Q72.8Confident86.7Confident146 Ų14646.3 Ų46.368%0.68223%0.229SC*.THydrogen-bonded Turntrans63.3-95.7167.9-60173.4-23.800114.6F348 T433F348-Q443 WeakPolarHBondContact CD2-O 3.41Å; T433-Q443 PolarHBondContact O-N 2.93Å
444T78.3Confident87.1Confident55 Ų5546.8 Ų46.834%0.33723%0.228SC..THydrogen-bonded Turntrans-113.117.3-167.443.50000112.1R346 R442 E446R346-T444 VanDerWaalsContact CB-O 3.24Å; R346-T444 WeakPolarHBondContact CB-O 3.31Å; R442-T444 PolarHBondContact O-N 3.14Å; T444-E446 PolarHBondContact O-N 3.46Å; T444-E446 VanDerWaalsContact O-N 3.13Å; T444-E446 WeakPolarHBondContact OG1-CG 3.25Å; T444-E446 PolarHBondContact OG1-OE2 3.09Å
445L84.4Confident87.5Confident0 Ų045.7 Ų45.70%022%0.222CC..THydrogen-bonded Turntrans57.424.6-172.8-50.6173.4000112.6F339 V341 R346 F348 L351 I441 R442 F472F339-L445 HydrophobicContact CE1-CD1 3.88Å; F339-L445 HydrophobicContact CZ-CD1 3.66Å; V341-L445 HydrophobicContact CG1-CB 4.27Å; V341-L445 HydrophobicContact CG1-CD1 4.28Å; R346-L445 PolarHBondContact NH1-O 3.36Å; F348-L445 HydrophobicContact CD1-CD2 4.05Å; F348-L445 HydrophobicContact CD2-CD2 3.84Å; F348-L445 HydrophobicContact CD2-CG 4.16Å; F348-L445 HydrophobicContact CE1-CD2 3.68Å; F348-L445 HydrophobicContact CE2-CD2 3.46Å; F348-L445 VanDerWaalsContact CE2-CD2 3.46Å; F348-L445 HydrophobicContact CE2-CG 4.13Å; F348-L445 HydrophobicContact CG-CD2 4.13Å; F348-L445 HydrophobicContact CZ-CD2 3.39Å; F348-L445 HydrophobicContact CZ-CG 4.5Å; L351-L445 HydrophobicContact CB-CD1 4.35Å; L351-L445 HydrophobicContact CD2-CD1 4.4Å; L351-L445 HydrophobicContact CD2-CD2 4.05Å; I441-L445 HydrophobicContact CG2-CD2 3.71Å; R442-L445 PolarHBondContact O-N 3.3Å; L445-F472 HydrophobicContact CD1-CD1 4.3Å; L445-F472 HydrophobicContact CD1-CE1 4.39Å; L445-F472 HydrophobicContact CD2-CD1 4.33Å; L445-F472 HydrophobicContact CD2-CE1 4.09Å
446E79.7Confident87.7Confident96 Ų9646 Ų4645%0.44922%0.223SC..THydrogen-bonded Turntrans-92.9-34.8179-73.7172.8167.700112.6T444 E468 I469T444-E446 PolarHBondContact O-N 3.46Å; T444-E446 VanDerWaalsContact O-N 3.13Å; T444-E446 WeakPolarHBondContact OG1-CG 3.25Å; T444-E446 PolarHBondContact OG1-OE2 3.09Å; E446-E468 WeakPolarHBondContact O-CA 3.41Å; E446-I469 PolarHBondContact O-N 3.48Å
447R83.5Confident87.8Confident154 Ų15449.4 Ų49.458%0.58124%0.242SC*.EExtended strand (participates in β ladder)trans-133.1145.2-173.2-66.8-177.9171.6171.2-2.6110.5R442 F467 E468R442-R447 PolarHBondContact N-O 3.31Å; R447-F467 WeakPolarHBondContact CA-O 3.34Å; R447-E468 HydrophobicContact CG-CG 4.34Å; R447-E468 IonicContact CZ-OE1 2.85Å; R447-E468 IonicContact NE-OE1 2.83Å; R447-E468 PolarHBondContact NE-OE1 3.41Å; R447-E468 IonicContact NH2-OE1 2.76Å; R447-E468 PolarHBondContact NH2-OE1 3.38Å
448G90.1Very high87.9Confident7 Ų749.4 Ų49.47%0.07224%0.242CC..EExtended strand (participates in β ladder)trans-138.8170.9170.200000111.5S440 D466 F467S440-G448 CarbonylContact O-C 3.5Å; S440-G448 WeakPolarHBondContact O-CA 3.21Å; G448-D466 WeakPolarHBondContact O-CA 3.19Å; G448-F467 VanDerWaalsContact C-CE1 3.44Å; G448-F467 VanDerWaalsContact C-CZ 3.49Å; G448-F467 VanDerWaalsContact CA-CZ 3.49Å; G448-F467 PolarHBondContact N-O 3.09Å; G448-F467 PolarHBondContact O-N 3.44Å
449S88Confident88.2Confident18 Ų1851.6 Ų51.613%0.12625%0.253CS..EExtended strand (participates in β ladder)trans-136.6140.9177.271.40000109.7L439 S440 R465 D466L439-S449 CarbonylContact C-O 3.57Å; L439-S449 WeakPolarHBondContact CA-O 3.27Å; S440-S449 PolarHBondContact N-O 2.76Å; S440-S449 PolarHBondContact O-N 3.39Å; S440-S449 PolarHBondContact OG-OG 3.05Å; S449-R465 CarbonylContact C-O 3.6Å; S449-R465 VanDerWaalsContact CA-O 3.22Å; S449-R465 WeakPolarHBondContact CA-O 3.5Å; S449-D466 WeakPolarHBondContact CB-OD1 2.97Å
450T92.1Very high88.3Confident0 Ų053.1 Ų53.10%026%0.263CS..EExtended strand (participates in β ladder)trans-126.4133.3172.9177.10000109.8P460 L461 V462 R465 F467T450-P460 HydrophobicContact CG2-CB 4.3Å; T450-L461 HydrophobicContact CG2-CB 4.04Å; T450-L461 VanDerWaalsContact CG2-N 3.32Å; T450-L461 WeakPolarHBondContact OG1-CG 3.35Å; T450-L461 PolarHBondContact OG1-N 3.25Å; T450-V462 HydrophobicContact CG2-CG2 3.59Å; T450-R465 WeakPolarHBondContact CG2-O 3.4Å; T450-R465 PolarHBondContact N-O 3.26Å; T450-R465 WeakPolarHBondContact O-CB 3.49Å; T450-F467 HydrophobicContact CG2-CD1 4.27Å; T450-F467 HydrophobicContact CG2-CE1 4.06Å
451N88.7Confident88.5Confident70 Ų7052.8 Ų52.837%0.37426%0.26SS..  trans-135.9179.7177.7-79.5-60.9000109C453 N458 R465N451-C453 PolarHBondContact O-N 2.92Å; N451-N458 PolarHBondContact O-ND2 2.94Å; N451-N458 VanDerWaalsContact O-ND2 3.08Å; N451-R465 PolarHBondContact OD1-NH1 3.29Å
452H93.5Very high88.6Confident101 Ų10152.9 Ų52.947%0.46826%0.261SS..  trans-59.5133.3165.8-178.464.6000110.9D454 N457 N458H452-D454 IonicContact CD2-OD1 2.62Å; H452-D454 IonicContact NE2-OD1 2.76Å; H452-N457 PolarHBondContact CE1-OD1 3.15Å; H452-N457 VanDerWaalsContact CE1-OD1 3.28Å; H452-N458 WeakPolarHBondContact CA-O 3.2Å; H452-N458 PolarHBondContact ND1-O 3.47Å
453C91.7Very high89.1Confident21 Ų2150.5 Ų50.514%0.14226%0.264CS..BIsolated β-bridgetrans-124.9125.1173.7-179.90000109.6N451 T455 F456 N457 N458N451-C453 PolarHBondContact O-N 2.92Å; C453-T455 PolarHBondContact O-N 2.59Å; C453-F456 HydrophobicContact CB-CD2 4.47Å; C453-F456 PolarHBondContact O-N 3.14Å; C453-N457 WeakPolarHBondContact O-CA 3.32Å; C453-N457 PolarHBondContact O-N 3.26Å; C453-N458 VanDerWaalsContact CB-OD1 3.26Å; C453-N458 WeakPolarHBondContact CB-OD1 3.44Å; C453-N458 PolarHBondContact N-OD1 3.47Å
454D92.3Very high89.8Confident86 Ų8647.2 Ų47.246%0.4625%0.249SC..THydrogen-bonded Turntrans-57.8-38.4-179.5-64.2-23.3000111.8V413 E424 H452 F456V413-D454 WeakPolarHBondContact CG1-O 3.41Å; V413-D454 WeakPolarHBondContact CG2-O 3.26Å; E424-D454 HydrophobicContact CG-CB 3.89Å; H452-D454 IonicContact CD2-OD1 2.62Å; H452-D454 IonicContact NE2-OD1 2.76Å; D454-F456 VanDerWaalsContact C-N 3.32Å; D454-F456 PolarHBondContact O-N 3.18Å
455T93.2Very high90.3Very high0 Ų050.9 Ų50.90%026%0.256CS..THydrogen-bonded Turntrans-54-42.8178.6-54.30000112.8W412 V413 G423 E424 L426 F427 C453W412-T455 CarbonylContact C-O 3.52Å; W412-T455 WeakPolarHBondContact CA-O 3.09Å; V413-T455 WeakPolarHBondContact CG2-O 3.49Å; V413-T455 PolarHBondContact N-O 2.86Å; G423-T455 PolarHBondContact O-OG1 3.28Å; E424-T455 WeakPolarHBondContact O-CG2 3.22Å; L426-T455 PolarHBondContact N-OG1 3.33Å; L426-T455 PolarHBondContact O-OG1 3Å; F427-T455 HydrophobicContact CD1-CG2 3.5Å; F427-T455 HydrophobicContact CE1-CG2 3.72Å; F427-T455 HydrophobicContact CG-CG2 4.28Å; C453-T455 PolarHBondContact O-N 2.59Å
456F95.3Very high90.4Very high5 Ų556.1 Ų56.12%0.02228%0.284CS..THydrogen-bonded Turntrans-111.2-8.9-175-54-66.3000113.3S398 L400 F410 F427 C453 D454 N458S398-F456 WeakPolarHBondContact O-CE1 3.4Å; L400-F456 HydrophobicContact CD1-CB 4.13Å; L400-F456 HydrophobicContact CD1-CD2 3.5Å; L400-F456 VanDerWaalsContact CD1-CD2 3.5Å; L400-F456 HydrophobicContact CD1-CE2 4.21Å; L400-F456 HydrophobicContact CD1-CG 4.02Å; L400-F456 HydrophobicContact CG-CB 4.5Å; L400-F456 HydrophobicContact CG-CD2 3.68Å; L400-F456 HydrophobicContact CG-CE2 4.05Å; L400-F456 HydrophobicContact CG-CG 4.06Å; F410-F456 HydrophobicContact CB-CB 4.06Å; F410-F456 WeakPolarHBondContact O-CD1 3.5Å; F427-F456 HydrophobicContact CD1-CE1 4.44Å; F427-F456 HydrophobicContact CD1-CZ 4.39Å; C453-F456 HydrophobicContact CB-CD2 4.47Å; C453-F456 PolarHBondContact O-N 3.14Å; D454-F456 VanDerWaalsContact C-N 3.32Å; D454-F456 PolarHBondContact O-N 3.18Å; F456-N458 HydrophobicContact CB-CB 4.42Å; F456-N458 PolarHBondContact O-N 3.09Å; F456-N458 VanDerWaalsContact O-N 3.12Å
457N93.9Very high90.9Very high107 Ų10751.7 Ų51.757%0.57226%0.264SS*.THydrogen-bonded Turntrans47.935.4-171.2-172.947000112.5V413 H452 C453V413-N457 HydrophobicContact CG1-CB 3.39Å; H452-N457 PolarHBondContact CE1-OD1 3.15Å; H452-N457 VanDerWaalsContact CE1-OD1 3.28Å; C453-N457 WeakPolarHBondContact O-CA 3.32Å; C453-N457 PolarHBondContact O-N 3.26Å
458N93.6Very high91.1Very high0 Ų048.4 Ų48.40%026%0.255CS..BIsolated β-bridgetrans-78.8148.5177.665.5-70000110.2L400 F410 N451 H452 C453 F456 L461L400-N458 HydrophobicContact CD1-CB 4.08Å; L400-N458 VanDerWaalsContact CD1-CG 3.42Å; L400-N458 WeakPolarHBondContact CD1-OD1 3.25Å; F410-N458 HydrophobicContact CB-CB 3.88Å; F410-N458 HydrophobicContact CD1-CB 3.8Å; F410-N458 HydrophobicContact CD2-CB 3.82Å; F410-N458 HydrophobicContact CE1-CB 4.28Å; F410-N458 HydrophobicContact CE2-CB 4.27Å; F410-N458 HydrophobicContact CG-CB 3.56Å; F410-N458 HydrophobicContact CZ-CB 4.49Å; N451-N458 PolarHBondContact O-ND2 2.94Å; N451-N458 VanDerWaalsContact O-ND2 3.08Å; H452-N458 WeakPolarHBondContact CA-O 3.2Å; H452-N458 PolarHBondContact ND1-O 3.47Å; C453-N458 VanDerWaalsContact CB-OD1 3.26Å; C453-N458 WeakPolarHBondContact CB-OD1 3.44Å; C453-N458 PolarHBondContact N-OD1 3.47Å; F456-N458 HydrophobicContact CB-CB 4.42Å; F456-N458 PolarHBondContact O-N 3.09Å; F456-N458 VanDerWaalsContact O-N 3.12Å; N458-L461 HydrophobicContact CB-CD2 4.37Å
459P93.5Very high91.1Very high63 Ų6348.2 Ų48.241%0.40925%0.252SS..PPolyproline II helixtrans-71.5172.2157.334.5-33.8000109.8F410 L461F410-P459 HydrophobicContact CE1-CG 4.18Å; F410-P459 HydrophobicContact CZ-CG 4.02Å; P459-L461 PolarHBondContact O-N 3.1Å
460P93.1Very high91.1Very high34 Ų3450.7 Ų50.722%0.22126%0.262CS..PPolyproline II helixtrans-48126.8164.1-25.134.2000110.5T450 V462 R465T450-P460 HydrophobicContact CG2-CB 4.3Å; P460-V462 WeakPolarHBondContact CB-O 3.4Å; P460-V462 PolarHBondContact O-N 2.76Å; P460-R465 HydrophobicContact CB-CG 4Å; P460-R465 HydrophobicContact CG-CG 4.09Å
461L93.7Very high91Very high2 Ų251.1 Ų51.11%0.0127%0.266CS..SBendtrans-69.1-17.2-175.7-60.4175.3000112.6F373 L400 Q402 F410 L439 T450 N458 P459F373-L461 HydrophobicContact CB-CB 4.14Å; F373-L461 HydrophobicContact CB-CD1 4.41Å; F373-L461 HydrophobicContact CD2-CB 3.94Å; F373-L461 HydrophobicContact CD2-CD1 3.71Å; F373-L461 HydrophobicContact CD2-CG 4.5Å; F373-L461 HydrophobicContact CE2-CD1 4.44Å; F373-L461 HydrophobicContact CG-CB 4Å; F373-L461 HydrophobicContact CG-CD1 4.38Å; L400-L461 HydrophobicContact CB-CD1 4.4Å; L400-L461 HydrophobicContact CB-CD2 4.28Å; L400-L461 HydrophobicContact CD1-CD1 4.29Å; L400-L461 HydrophobicContact CD2-CD1 4.11Å; Q402-L461 HydrophobicContact CB-CD2 4.4Å; Q402-L461 PolarHBondContact OE1-O 3.49Å; F410-L461 HydrophobicContact CD2-CD2 3.88Å; F410-L461 HydrophobicContact CE2-CD2 3.63Å; L439-L461 HydrophobicContact CB-CD1 4.48Å; L439-L461 HydrophobicContact CD2-CD1 4.04Å; T450-L461 HydrophobicContact CG2-CB 4.04Å; T450-L461 VanDerWaalsContact CG2-N 3.32Å; T450-L461 WeakPolarHBondContact OG1-CG 3.35Å; T450-L461 PolarHBondContact OG1-N 3.25Å; N458-L461 HydrophobicContact CB-CD2 4.37Å; P459-L461 PolarHBondContact O-N 3.1Å
462V91Very high91.2Very high2 Ų247.8 Ų47.81%0.01225%0.248CC..SBendtrans-133.3147168.7-67.50000110.6T367 Q371 F373 T450 P460 E464 R465 F467T367-V462 HydrophobicContact CG2-CG1 4.32Å; Q371-V462 HydrophobicContact CB-CG1 3.79Å; Q371-V462 HydrophobicContact CG-CG1 4.22Å; F373-V462 HydrophobicContact CD1-CG1 3.49Å; F373-V462 VanDerWaalsContact CD1-CG1 3.49Å; F373-V462 HydrophobicContact CE1-CB 4.47Å; F373-V462 HydrophobicContact CE1-CG1 3.27Å; F373-V462 HydrophobicContact CE1-CG2 4.4Å; F373-V462 HydrophobicContact CZ-CG1 4.18Å; T450-V462 HydrophobicContact CG2-CG2 3.59Å; P460-V462 WeakPolarHBondContact CB-O 3.4Å; P460-V462 PolarHBondContact O-N 2.76Å; V462-E464 PolarHBondContact O-N 3.38Å; V462-R465 PolarHBondContact O-N 3.46Å; V462-F467 HydrophobicContact CG2-CB 4.23Å; V462-F467 HydrophobicContact CG2-CD1 3.71Å; V462-F467 HydrophobicContact CG2-CG 4.31Å
463P87.8Confident91.2Very high94 Ų9443.7 Ų43.761%0.6123%0.229SC*.THydrogen-bonded Turntrans-53.1-37.3179.4-2734.6000114.6R465P463-R465 PolarHBondContact O-N 2.93Å
464E87.7Confident91.3Very high77 Ų7742.7 Ų42.736%0.3622%0.222SC..THydrogen-bonded Turntrans-74.8-15.4-172.9-5980.5-17100112.8W369 Q371 V462 D466W369-E464 HydrophobicContact CD2-CG 4.49Å; W369-E464 HydrophobicContact CE3-CB 4.46Å; W369-E464 HydrophobicContact CE3-CG 3.92Å; W369-E464 HydrophobicContact CH2-CB 3.94Å; W369-E464 HydrophobicContact CH2-CG 3.69Å; W369-E464 HydrophobicContact CZ2-CG 4.27Å; W369-E464 HydrophobicContact CZ3-CB 3.66Å; W369-E464 HydrophobicContact CZ3-CG 3.48Å; W369-E464 VanDerWaalsContact CZ3-CG 3.48Å; Q371-E464 PolarHBondContact NE2-OE1 2.91Å; Q371-E464 PolarHBondContact NE2-OE2 2.98Å; Q371-E464 PolarHBondContact OE1-OE2 3.24Å; V462-E464 PolarHBondContact O-N 3.38Å; E464-D466 WeakPolarHBondContact CB-O 3.44Å; E464-D466 PolarHBondContact O-N 2.95Å
465R89Confident91.3Very high131 Ų13139.5 Ų39.549%0.49420%0.204SC..SBendtrans62.4-53.9-172.2-54.2179.1179.6-126.63.4113.5S449 T450 N451 P460 V462 P463S449-R465 CarbonylContact C-O 3.6Å; S449-R465 VanDerWaalsContact CA-O 3.22Å; S449-R465 WeakPolarHBondContact CA-O 3.5Å; T450-R465 WeakPolarHBondContact CG2-O 3.4Å; T450-R465 PolarHBondContact N-O 3.26Å; T450-R465 WeakPolarHBondContact O-CB 3.49Å; N451-R465 PolarHBondContact OD1-NH1 3.29Å; P460-R465 HydrophobicContact CB-CG 4Å; P460-R465 HydrophobicContact CG-CG 4.09Å; V462-R465 PolarHBondContact O-N 3.46Å; P463-R465 PolarHBondContact O-N 2.93Å
466D87.7Confident91.1Very high110 Ų11039.5 Ų39.559%0.58820%0.204SC*.EExtended strand (participates in β ladder)trans-91.6134.9170.7-62.3-40.6000109.3G448 S449 E464G448-D466 WeakPolarHBondContact O-CA 3.19Å; S449-D466 WeakPolarHBondContact CB-OD1 2.97Å; E464-D466 WeakPolarHBondContact CB-O 3.44Å; E464-D466 PolarHBondContact O-N 2.95Å
467F89.9Confident90.6Very high4 Ų440 Ų402%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-141.6150.2-174.856.2-94.3000112.1I365 T367 W369 F373 R447 G448 T450 V462 I469I365-F467 HydrophobicContact CG2-CD2 4.46Å; I365-F467 HydrophobicContact CG2-CE2 3.96Å; T367-F467 HydrophobicContact CG2-CB 3.71Å; T367-F467 HydrophobicContact CG2-CD2 4.06Å; T367-F467 HydrophobicContact CG2-CG 3.99Å; W369-F467 HydrophobicContact CZ3-CB 4.17Å; F373-F467 AromaticContact CE2-CE1 3.86Å; F373-F467 HydrophobicContact CE2-CE1 3.86Å; F373-F467 HydrophobicContact CE2-CE2 4.21Å; F373-F467 AromaticContact CE2-CZ 3.66Å; F373-F467 HydrophobicContact CE2-CZ 3.66Å; F373-F467 AromaticContact CZ-CD1 3.77Å; F373-F467 HydrophobicContact CZ-CD1 3.77Å; F373-F467 AromaticContact CZ-CD2 3.91Å; F373-F467 HydrophobicContact CZ-CD2 3.91Å; F373-F467 AromaticContact CZ-CE1 3.47Å; F373-F467 HydrophobicContact CZ-CE1 3.47Å; F373-F467 VanDerWaalsContact CZ-CE1 3.47Å; F373-F467 AromaticContact CZ-CE2 3.64Å; F373-F467 HydrophobicContact CZ-CE2 3.64Å; F373-F467 AromaticContact CZ-CG 3.98Å; F373-F467 HydrophobicContact CZ-CG 3.98Å; F373-F467 AromaticContact CZ-CZ 3.41Å; F373-F467 HydrophobicContact CZ-CZ 3.41Å; F373-F467 VanDerWaalsContact CZ-CZ 3.41Å; R447-F467 WeakPolarHBondContact CA-O 3.34Å; G448-F467 VanDerWaalsContact C-CE1 3.44Å; G448-F467 VanDerWaalsContact C-CZ 3.49Å; G448-F467 VanDerWaalsContact CA-CZ 3.49Å; G448-F467 PolarHBondContact N-O 3.09Å; G448-F467 PolarHBondContact O-N 3.44Å; T450-F467 HydrophobicContact CG2-CD1 4.27Å; T450-F467 HydrophobicContact CG2-CE1 4.06Å; V462-F467 HydrophobicContact CG2-CB 4.23Å; V462-F467 HydrophobicContact CG2-CD1 3.71Å; V462-F467 HydrophobicContact CG2-CG 4.31Å; F467-I469 HydrophobicContact CD2-CG1 3.95Å; F467-I469 HydrophobicContact CE2-CD1 4.2Å; F467-I469 HydrophobicContact CE2-CG1 3.76Å
468E86.8Confident89.3Confident85 Ų8536.5 Ų36.540%0.39719%0.19SC..EExtended strand (participates in β ladder)trans-94.4131.5169.2-60.1-166.8151.600109.6T367 T368 E446 R447 E470T367-E468 VanDerWaalsContact CA-O 3.27Å; T367-E468 WeakPolarHBondContact CA-O 3.44Å; T368-E468 HydrophobicContact CG2-CB 3.91Å; T368-E468 PolarHBondContact N-O 3.03Å; T368-E468 VanDerWaalsContact N-O 3.08Å; E446-E468 WeakPolarHBondContact O-CA 3.41Å; R447-E468 HydrophobicContact CG-CG 4.34Å; R447-E468 IonicContact CZ-OE1 2.85Å; R447-E468 IonicContact NE-OE1 2.83Å; R447-E468 PolarHBondContact NE-OE1 3.41Å; R447-E468 IonicContact NH2-OE1 2.76Å; R447-E468 PolarHBondContact NH2-OE1 3.38Å; E468-E470 PolarHBondContact O-N 3.04Å
469I89.9Confident87.1Confident2 Ų240.4 Ų40.41%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-84.1113.7-176.4-63.5175.1000108.3R346 I365 I441 E446 F467 F472R346-I469 VanDerWaalsContact CZ-O 3.32Å; R346-I469 PolarHBondContact NH1-O 3.41Å; R346-I469 PolarHBondContact NH2-O 3.3Å; I365-I469 HydrophobicContact CG2-CG1 4.13Å; I365-I469 HydrophobicContact CG2-CG2 4.48Å; I441-I469 HydrophobicContact CD1-CD1 4.05Å; I441-I469 HydrophobicContact CG1-CD1 4.15Å; I441-I469 HydrophobicContact CG2-CD1 3.82Å; E446-I469 PolarHBondContact O-N 3.48Å; F467-I469 HydrophobicContact CD2-CG1 3.95Å; F467-I469 HydrophobicContact CE2-CD1 4.2Å; F467-I469 HydrophobicContact CE2-CG1 3.76Å; I469-F472 HydrophobicContact CG2-CB 3.55Å
470E88.1Confident84.4Confident70 Ų7046 Ų4633%0.32724%0.244SC..EExtended strand (participates in β ladder)trans-80.5-50.5170.7-175.7-179.5-171.500110.4Q366 T368 K370 E468Q366-E470 PolarHBondContact NE2-OE2 3.04Å; Q366-E470 PolarHBondContact O-N 3.1Å; T368-E470 HydrophobicContact CG2-CB 4.17Å; K370-E470 WeakPolarHBondContact CD-OE2 3.11Å; K370-E470 WeakPolarHBondContact CE-OE2 3.3Å; K370-E470 IonicContact NZ-OE1 2.87Å; K370-E470 PolarHBondContact NZ-OE1 3.01Å; K370-E470 IonicContact NZ-OE2 2.9Å; K370-E470 PolarHBondContact NZ-OE2 3.44Å; E468-E470 PolarHBondContact O-N 3.04Å
471A90.3Very high81.5Confident10 Ų1049 Ų498%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-131.3140173.400000110.1Q366Q366-A471 HydrophobicContact CB-CB 4.15Å; Q366-A471 PolarHBondContact N-O 3.27Å; Q366-A471 PolarHBondContact O-N 3.2Å; Q366-A471 VanDerWaalsContact O-N 3.17Å
472F93.5Very high78.3Confident0 Ų061.6 Ų61.60%032%0.319CS..EExtended strand (participates in β ladder)trans-137.7118.3171.5167.3-122.2000107.9F339 S340 V341 L351 L363 L364 I365 I441 L445 I469 V474F339-F472 HydrophobicContact CD1-CD1 4.26Å; F339-F472 HydrophobicContact CD1-CE1 4.23Å; F339-F472 AromaticContact CE1-CD1 3.86Å; F339-F472 HydrophobicContact CE1-CD1 3.86Å; F339-F472 HydrophobicContact CE1-CE1 4.06Å; S340-F472 WeakPolarHBondContact CA-O 3.39Å; V341-F472 HydrophobicContact CG1-CB 3.79Å; V341-F472 HydrophobicContact CG1-CD1 3.94Å; V341-F472 HydrophobicContact CG1-CG 4.36Å; V341-F472 HydrophobicContact CG2-CB 4.29Å; V341-F472 VanDerWaalsContact CG2-N 3.29Å; V341-F472 PolarHBondContact N-O 2.95Å; L351-F472 HydrophobicContact CD1-CE1 3.83Å; L351-F472 HydrophobicContact CD1-CZ 4.28Å; L351-F472 HydrophobicContact CD2-CE1 3.97Å; L351-F472 HydrophobicContact CD2-CZ 4.43Å; L363-F472 HydrophobicContact CB-CE2 4.13Å; L363-F472 HydrophobicContact CD2-CE2 4.16Å; L363-F472 HydrophobicContact CD2-CZ 4.13Å; L364-F472 WeakPolarHBondContact O-CA 3.07Å; I365-F472 HydrophobicContact CG1-CD2 3.7Å; I365-F472 HydrophobicContact CG1-CE2 4.22Å; I441-F472 HydrophobicContact CD1-CD2 4.28Å; I441-F472 HydrophobicContact CD1-CE2 4.04Å; I441-F472 HydrophobicContact CD1-CZ 4.19Å; L445-F472 HydrophobicContact CD1-CD1 4.3Å; L445-F472 HydrophobicContact CD1-CE1 4.39Å; L445-F472 HydrophobicContact CD2-CD1 4.33Å; L445-F472 HydrophobicContact CD2-CE1 4.09Å; I469-F472 HydrophobicContact CG2-CB 3.55Å; F472-V474 HydrophobicContact CE1-CG2 4.12Å; F472-V474 HydrophobicContact CE2-CG2 3.99Å; F472-V474 HydrophobicContact CZ-CG2 3.58Å
473E93.5Very high77.6Confident15 Ų1564.6 Ų64.67%0.0734%0.335CS..EExtended strand (participates in β ladder)trans-123.9143.8-176.8-61.2-176.4145.500109.4Y315 F339 L364 F475Y315-E473 WeakPolarHBondContact CE2-OE2 3.46Å; F339-E473 CarbonylContact O-C 3.53Å; F339-E473 VanDerWaalsContact O-CA 3.27Å; F339-E473 WeakPolarHBondContact O-CA 3.4Å; L364-E473 HydrophobicContact CB-CB 4.49Å; L364-E473 PolarHBondContact N-O 2.84Å; L364-E473 PolarHBondContact O-N 2.68Å; E473-F475 HydrophobicContact CB-CD2 4.44Å; E473-F475 HydrophobicContact CB-CE2 3.68Å; E473-F475 HydrophobicContact CB-CZ 4.19Å; E473-F475 WeakPolarHBondContact OE2-CZ 3.39Å
474V94.1Very high77.1Confident0 Ų063 Ų630%032%0.32CS..EExtended strand (participates in β ladder)trans-120.6127173.5-174.40000109.2L338 F339 L351 I355 T361 V362 L363 F472L338-V474 PolarHBondContact N-O 3.31Å; F339-V474 HydrophobicContact CB-CB 4.17Å; F339-V474 HydrophobicContact CB-CG2 4.33Å; F339-V474 HydrophobicContact CD1-CG2 4.39Å; F339-V474 PolarHBondContact N-O 2.79Å; F339-V474 PolarHBondContact O-N 3.13Å; L351-V474 HydrophobicContact CD1-CG2 3.83Å; I355-V474 HydrophobicContact CD1-CG1 4.36Å; I355-V474 HydrophobicContact CD1-CG2 4.49Å; I355-V474 HydrophobicContact CG2-CB 4.19Å; I355-V474 HydrophobicContact CG2-CG1 3.93Å; T361-V474 HydrophobicContact CG2-CG1 4.13Å; V362-V474 VanDerWaalsContact O-CA 3.31Å; V362-V474 WeakPolarHBondContact O-CA 3.39Å; L363-V474 HydrophobicContact CD2-CB 4.44Å; L363-V474 HydrophobicContact CD2-CG1 3.99Å; L363-V474 HydrophobicContact CD2-CG2 3.68Å; F472-V474 HydrophobicContact CE1-CG2 4.12Å; F472-V474 HydrophobicContact CE2-CG2 3.99Å; F472-V474 HydrophobicContact CZ-CG2 3.58Å
475F91.6Very high76.5Confident18 Ų1862.2 Ų62.28%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-110.6141.4176.6-61.2-94.7000110.8P335 Q336 K337 T361 V362 L364 E473P335-F475 HydrophobicContact CB-CB 4.41Å; P335-F475 HydrophobicContact CB-CD1 4.45Å; Q336-F475 CarbonylContact O-C 3.53Å; Q336-F475 VanDerWaalsContact O-CA 3.22Å; Q336-F475 WeakPolarHBondContact O-CA 3.18Å; K337-F475 HydrophobicContact CB-CD1 4.01Å; K337-F475 HydrophobicContact CB-CE1 3.78Å; K337-F475 HydrophobicContact CD-CE1 4.45Å; K337-F475 HydrophobicContact CG-CD1 4.46Å; K337-F475 HydrophobicContact CG-CE1 4.04Å; K337-F475 HydrophobicContact CG-CZ 4.34Å; T361-F475 CarbonylContact C-O 3.48Å; T361-F475 VanDerWaalsContact CA-O 3.26Å; T361-F475 WeakPolarHBondContact CA-O 3.45Å; V362-F475 HydrophobicContact CB-CB 4.31Å; V362-F475 PolarHBondContact N-O 2.95Å; V362-F475 PolarHBondContact O-N 3.42Å; L364-F475 HydrophobicContact CB-CE2 4.26Å; L364-F475 HydrophobicContact CD2-CE2 4.02Å; E473-F475 HydrophobicContact CB-CD2 4.44Å; E473-F475 HydrophobicContact CB-CE2 3.68Å; E473-F475 HydrophobicContact CB-CZ 4.19Å; E473-F475 WeakPolarHBondContact OE2-CZ 3.39Å
476G89.9Confident75.8Confident0 Ų058.2 Ų58.20%031%0.308CS..EExtended strand (participates in β ladder)trans-114161.7174.500000112.1P335 Q336P335-G476 WeakPolarHBondContact CA-O 3.25Å; Q336-G476 PolarHBondContact N-O 2.94Å; Q336-G476 PolarHBondContact O-N 3.17Å
477F84.3Confident75.1Confident15 Ų1554.9 Ų54.97%0.06629%0.29CS..  trans-124.828.4-179.7-60.9-101.2000111.9I326 Y330 V333 P335 P360 V362I326-F477 HydrophobicContact CD1-CE1 3.92Å; I326-F477 HydrophobicContact CD1-CE2 4.22Å; I326-F477 HydrophobicContact CD1-CZ 3.38Å; I326-F477 HydrophobicContact CG2-CE1 4.41Å; Y330-F477 HydrophobicContact CD1-CB 3.75Å; Y330-F477 HydrophobicContact CD1-CG 4.35Å; Y330-F477 HydrophobicContact CG-CB 4.2Å; Y330-F477 HydrophobicContact CG-CD1 4.41Å; Y330-F477 HydrophobicContact CG-CG 4.31Å; V333-F477 HydrophobicContact CB-CB 4.5Å; V333-F477 HydrophobicContact CG1-CB 4.43Å; V333-F477 WeakPolarHBondContact CG1-O 3.46Å; P335-F477 HydrophobicContact CB-CD1 4.47Å; P335-F477 HydrophobicContact CB-CE1 4Å; P335-F477 HydrophobicContact CB-CZ 4.1Å; P335-F477 HydrophobicContact CG-CD1 4.3Å; P335-F477 HydrophobicContact CG-CE1 3.65Å; P335-F477 HydrophobicContact CG-CZ 4.09Å; P360-F477 HydrophobicContact CG-CB 4.1Å; P360-F477 HydrophobicContact CG-CD2 3.83Å; P360-F477 HydrophobicContact CG-CG 4.24Å; V362-F477 HydrophobicContact CB-CE2 4.32Å; V362-F477 HydrophobicContact CG2-CE2 3.63Å; V362-F477 HydrophobicContact CG2-CZ 3.99Å
478S66.8Low74.1Confident34 Ų3458.3 Ų58.324%0.23831%0.308CS..  trans-81.4134172.745.80000110.3E480S478-E480 PolarHBondContact O-N 2.83Å
479A46.3Very low73.2Confident83 Ų8356.4 Ų56.469%0.68630%0.302SS*.SBendtrans-73.1122.4165.100000108
480E38.1Very low71.9Confident181 Ų18160.6 Ų60.685%0.84633%0.325SS*.  trans69.199.6170.7-60.7174.3-178.900116.2S478S478-E480 PolarHBondContact O-N 2.83Å
481V31.8Very low70.5Confident96 Ų9659.8 Ų59.858%0.58232%0.324SS*.  trans-115.299.6149.4-178.30000105.7
482E26.2Very low68.7Low266 Ų26664.4 Ų64.4100%1.24335%0.346SS*.  trans-101.30147.8-88.2-169.7164.300108.3

Retrieved 482 of 482 residues in 152 ms (Link to these results)

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