A0A087X723_POEFO Loading...

Geranylgeranyl transferase type-2 subunit beta

Catalyzes the transfer of a geranylgeranyl moiety from geranylgeranyl diphosphate to both cysteines of Rab proteins with the C-terminal sequence -XXCC, -XCXC and -CCXX, such as RAB1A, RAB3A, RAB5A and RAB7A. Catalyzes the transfer of a geranylgeranyl moiety from geranylgeranyl diphosphate to both cysteines of proteins with the C-terminal sequence -XXCC, -XCXC and -CCXX.

AlphaFold DB , UniProt , Accession A0A087X723, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 331 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
1M41.9Very low79.6Confident245 Ų245113.3 Ų113.3100%1.20760%0.6SS**  0104.70-74.9-178.2-94.800106.2A3M1-A3 PolarHBondContact O-N 2.89Å
2S48.9Very low80.8Confident120 Ų120115.8 Ų115.884%0.83963%0.628SS**PPolyproline II helixtrans-64.8123.9173.754.40000107.5Q4S2-Q4 PolarHBondContact O-N 3Å
3A57.2Low81.9Confident85 Ų85116.3 Ų116.370%0.70263%0.63SS**PPolyproline II helixtrans-54131.6167.300000107.8M1 L5M1-A3 PolarHBondContact O-N 2.89Å; A3-L5 PolarHBondContact O-N 3.42Å; A3-L5 VanDerWaalsContact O-N 3.13Å
4Q71.6Confident82.9Confident181 Ų181109.4 Ų109.485%0.84660%0.596SS**PPolyproline II helixtrans-62.1117.7176.1-174.2174.25.400107.4S2 K6S2-Q4 PolarHBondContact O-N 3Å; Q4-K6 PolarHBondContact O-N 3.07Å
5L84.8Confident83.8Confident95 Ų95103 Ų10350%0.49756%0.562SS.*PPolyproline II helixtrans-55.6126.2176-175.374000108.4A3 D7 L224 P225A3-L5 PolarHBondContact O-N 3.42Å; A3-L5 VanDerWaalsContact O-N 3.13Å; L5-D7 PolarHBondContact O-N 3.39Å; L5-L224 HydrophobicContact CD1-CD2 4.38Å; L5-L224 HydrophobicContact CD2-CD2 4.45Å; L5-P225 HydrophobicContact CD2-CG 3.63Å
6K92.4Very high84.6Confident104 Ų104102.8 Ų102.845%0.45257%0.571SS.*  trans-76.5106.3176.6-66.9-175.2-160.7157.60109.2Q4 L224 E234 L236Q4-K6 PolarHBondContact O-N 3.07Å; K6-L224 WeakPolarHBondContact O-CD1 3.3Å; K6-E234 WeakPolarHBondContact CD-O 3.4Å; K6-E234 PolarHBondContact NZ-O 2.88Å; K6-L236 HydrophobicContact CB-CD2 4.11Å
7D96.8Very high85.3Confident39 Ų39100.8 Ų100.821%0.20957%0.566CS.*  trans-147.8164.6177.2-163.912.4000110L5 L224 P225 S226L5-D7 PolarHBondContact O-N 3.39Å; D7-L224 HydrophobicContact CB-CB 4.42Å; D7-L224 HydrophobicContact CB-CD1 4.39Å; D7-L224 WeakPolarHBondContact OD1-CB 3.4Å; D7-P225 WeakPolarHBondContact OD2-CB 3.35Å; D7-P225 WeakPolarHBondContact OD2-CD 3.38Å; D7-S226 WeakPolarHBondContact OD1-CB 3Å; D7-S226 PolarHBondContact OD1-OG 2.89Å; D7-S226 WeakPolarHBondContact OD2-CB 3.43Å; D7-S226 PolarHBondContact OD2-N 3.41Å
8V95.8Very high86Confident30 Ų3097.4 Ų97.418%0.18255%0.546CS..  trans-95.6155.8175.1-580000111.1S226 L236 P237 F266 R281V8-S226 WeakPolarHBondContact O-CB 3.21Å; V8-L236 HydrophobicContact CG1-CD2 4.41Å; V8-P237 HydrophobicContact CB-CG 4.48Å; V8-P237 HydrophobicContact CG1-CG 4.01Å; V8-P237 HydrophobicContact CG2-CG 3.87Å; V8-F266 HydrophobicContact CG2-CD2 4.23Å; V8-F266 HydrophobicContact CG2-CE2 3.8Å; V8-R281 HydrophobicContact CG1-CG 4.25Å
9I95.4Very high86.6Confident161 Ų16194.2 Ų94.283%0.82653%0.527SS*.  trans-105.4113.4171.3-61.1172.9000107.5K11I9-K11 PolarHBondContact O-N 3.32Å
10I96.8Very high87.1Confident42 Ų4291.4 Ų91.422%0.21551%0.511CS..  trans-74.7121.7172.5-58.1176000107.9A14 S226 F266 A269 P282I10-A14 HydrophobicContact CG2-CB 3.65Å; I10-S226 VanDerWaalsContact CD1-O 3.26Å; I10-S226 WeakPolarHBondContact CD1-O 3.25Å; I10-F266 HydrophobicContact CD1-CB 4.17Å; I10-F266 HydrophobicContact CD1-CD2 4.27Å; I10-A269 HydrophobicContact CD1-CB 4.36Å; I10-A269 HydrophobicContact CG1-CB 4.45Å; I10-A269 HydrophobicContact CG2-CB 3.69Å; I10-P282 HydrophobicContact CG1-CG 4.49Å
11K94.5Very high87.6Confident144 Ų14492.8 Ų92.863%0.62652%0.517SS*.  trans-69.3150.9178.6-58.8178.8-178.4168.90110.7I9 D13 A14I9-K11 PolarHBondContact O-N 3.32Å; K11-D13 WeakPolarHBondContact CB-OD1 3.35Å; K11-D13 PolarHBondContact O-N 2.91Å; K11-A14 VanDerWaalsContact O-CB 3.25Å; K11-A14 WeakPolarHBondContact O-CB 3.49Å; K11-A14 PolarHBondContact O-N 3.48Å
12P93.8Very high90.2Very high144 Ų14485 Ų8594%0.93548%0.476SS*.THydrogen-bonded Turntrans-61.8-24.6179.7-23.834.6000114.8
13D94.6Very high92.6Very high122 Ų12279.2 Ų79.265%0.65244%0.436SS*.THydrogen-bonded Turntrans-93.45.517861.7-24.7000113.1K11K11-D13 WeakPolarHBondContact CB-OD1 3.35Å; K11-D13 PolarHBondContact O-N 2.91Å
14A96.6Very high94.5Very high19 Ų1975.2 Ų75.216%0.15740%0.403CS..SBendtrans-62.6146.1176.800000111.3I10 K11 S16 A269I10-A14 HydrophobicContact CG2-CB 3.65Å; K11-A14 VanDerWaalsContact O-CB 3.25Å; K11-A14 WeakPolarHBondContact O-CB 3.49Å; K11-A14 PolarHBondContact O-N 3.48Å; A14-S16 PolarHBondContact O-N 3.47Å; A14-A269 HydrophobicContact CB-CB 3.8Å
15P96.3Very high95.8Very high14 Ų1470.7 Ų70.79%0.09139%0.385CS..  trans-54.4133.9179.68.9-20.2000112L268 A269 Q271 E273P15-L268 WeakPolarHBondContact CG-O 3.36Å; P15-L268 CarbonylContact O-C 3.2Å; P15-A269 WeakPolarHBondContact O-CA 3.42Å; P15-A269 PolarHBondContact O-N 3.27Å; P15-Q271 HydrophobicContact CB-CB 4.24Å; P15-Q271 HydrophobicContact CG-CB 3.99Å; P15-Q271 WeakPolarHBondContact CG-O 3.24Å; P15-E273 HydrophobicContact CB-CG 3.78Å; P15-E273 HydrophobicContact CG-CG 3.73Å
16S95.4Very high96.3Very high99 Ų9967.8 Ų67.869%0.69237%0.368SS*.  trans-128.71.3-174.257.60000113.8A14A14-S16 PolarHBondContact O-N 3.47Å
17S96.5Very high96.6Very high70 Ų7063 Ų6349%0.4935%0.347SS..SBendtrans-122148.4171.856.10000109.8Q271S17-Q271 PolarHBondContact O-NE2 2.87Å; S17-Q271 PolarHBondContact O-OE1 3.14Å
18L97.9Very high96.5Very high40 Ų4062.4 Ų62.421%0.20935%0.347CS..  trans-72.2130.2177.718056.4000111.2L20 L268 F278 L298 I306L18-L20 HydrophobicContact CD1-CD1 4.46Å; L18-L20 HydrophobicContact CD2-CD1 4.03Å; L18-L20 HydrophobicContact CG-CB 4.46Å; L18-L20 HydrophobicContact CG-CD1 4.26Å; L18-L268 HydrophobicContact CB-CD2 4.03Å; L18-L268 HydrophobicContact CD1-CD2 4.39Å; L18-F278 HydrophobicContact CD1-CZ 4.07Å; L18-L298 HydrophobicContact CD1-CD1 3.69Å; L18-L298 HydrophobicContact CD2-CD1 4.45Å; L18-I306 HydrophobicContact CD2-CD1 3.89Å; L18-I306 HydrophobicContact CD2-CG1 4.13Å
19L97.8Very high96.3Very high35 Ų3562.9 Ų62.918%0.18335%0.354CS..  trans-105.353.4-176.2-56.6179.4000111.8D21 K22 H23 Q271 E273L19-D21 PolarHBondContact O-N 3.39Å; L19-K22 HydrophobicContact CB-CB 4.19Å; L19-K22 HydrophobicContact CB-CD 4.15Å; L19-K22 HydrophobicContact CD1-CD 4.06Å; L19-K22 WeakPolarHBondContact O-CB 3.26Å; L19-K22 PolarHBondContact O-N 3.1Å; L19-H23 VanDerWaalsContact C-CD2 3.45Å; L19-H23 PolarHBondContact O-CD2 3.14Å; L19-H23 PolarHBondContact O-N 3.42Å; L19-H23 VanDerWaalsContact O-N 3.1Å; L19-H23 PolarHBondContact O-NE2 3.01Å; L19-Q271 HydrophobicContact CD1-CB 4.49Å; L19-E273 HydrophobicContact CD1-CB 4.33Å; L19-E273 HydrophobicContact CD1-CG 4.16Å
20L96.5Very high95.7Very high39 Ų3958.8 Ų58.820%0.20433%0.329CS..Hα-helixtrans-52-47.1-168.4-153.769.1000114.1L18 K22 H23 A24 M60 I306L18-L20 HydrophobicContact CD1-CD1 4.46Å; L18-L20 HydrophobicContact CD2-CD1 4.03Å; L18-L20 HydrophobicContact CG-CB 4.46Å; L18-L20 HydrophobicContact CG-CD1 4.26Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.38Å; L20-H23 PolarHBondContact O-N 3.43Å; L20-A24 PolarHBondContact O-N 2.97Å; L20-M60 HydrophobicContact CD1-CB 4.3Å; L20-M60 HydrophobicContact CD1-CG 3.57Å; L20-M60 HydrophobicContact CD1-SD 3.65Å; L20-M60 HydrophobicContact CG-CB 4.31Å; L20-M60 HydrophobicContact CG-CG 4.07Å; L20-M60 HydrophobicContact CG-SD 4.04Å; L20-I306 HydrophobicContact CD1-CG1 4.34Å
21D97.3Very high94.5Very high121 Ų12158.9 Ų58.965%0.64734%0.34SS*.Hα-helixtrans-61.4-39.6179.8-68.7-26.9000111.9L19 A24 D25L19-D21 PolarHBondContact O-N 3.39Å; D21-A24 PolarHBondContact O-N 3.49Å; D21-D25 WeakPolarHBondContact O-CB 3.38Å; D21-D25 VanDerWaalsContact O-CG 3.29Å; D21-D25 PolarHBondContact O-N 3.3Å
22K98.2Very high93.6Very high80 Ų8056 Ų5635%0.34834%0.338SS..Hα-helixtrans-66.2-40.7176.7-73.6176.2164.6-87.90111.4L19 L20 A24 D25 Y26 E273 E274L19-K22 HydrophobicContact CB-CB 4.19Å; L19-K22 HydrophobicContact CB-CD 4.15Å; L19-K22 HydrophobicContact CD1-CD 4.06Å; L19-K22 WeakPolarHBondContact O-CB 3.26Å; L19-K22 PolarHBondContact O-N 3.1Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.38Å; K22-A24 VanDerWaalsContact C-N 3.34Å; K22-D25 PolarHBondContact O-N 3.29Å; K22-Y26 VanDerWaalsContact O-CB 3.29Å; K22-Y26 WeakPolarHBondContact O-CB 3.49Å; K22-Y26 PolarHBondContact O-N 2.64Å; K22-E273 WeakPolarHBondContact CD-O 3.35Å; K22-E273 WeakPolarHBondContact CE-O 3.4Å; K22-E273 PolarHBondContact NZ-O 3.31Å; K22-E274 PolarHBondContact NZ-O 2.94Å
23H98.4Very high92.6Very high0 Ų055.2 Ų55.20%032%0.32CS..Hα-helixtrans-64.9-39.6175.9-51.2-46.7000111.7L19 L20 Y26 I27 M60 Q271 G277 F278 T291L19-H23 VanDerWaalsContact C-CD2 3.45Å; L19-H23 PolarHBondContact O-CD2 3.14Å; L19-H23 PolarHBondContact O-N 3.42Å; L19-H23 VanDerWaalsContact O-N 3.1Å; L19-H23 PolarHBondContact O-NE2 3.01Å; L20-H23 PolarHBondContact O-N 3.43Å; H23-Y26 PolarHBondContact O-N 2.96Å; H23-I27 WeakPolarHBondContact O-CG1 3.43Å; H23-I27 PolarHBondContact O-N 3.44Å; H23-M60 HydrophobicContact CB-CE 4.39Å; H23-M60 HydrophobicContact CB-SD 3.89Å; H23-Q271 PolarHBondContact CE1-OE1 3.21Å; H23-Q271 PolarHBondContact NE2-OE1 3.12Å; H23-G277 PolarHBondContact CE1-O 2.86Å; H23-G277 PolarHBondContact ND1-N 3.05Å; H23-G277 PolarHBondContact ND1-O 3.41Å; H23-F278 AromaticContact CD2-CE2 3.55Å; H23-F278 AromaticContact CE1-CD2 3.85Å; H23-F278 AromaticContact CE1-CE2 3.37Å; H23-F278 WeakPolarHBondContact CE1-CE2 3.47Å; H23-F278 AromaticContact CE1-CZ 3.86Å; H23-F278 AromaticContact CG-CE2 3.85Å; H23-F278 AromaticContact ND1-CD2 3.96Å; H23-F278 AromaticContact ND1-CE2 3.72Å; H23-F278 AromaticContact NE2-CE2 3.24Å; H23-F278 WeakPolarHBondContact NE2-CE2 3.34Å; H23-F278 AromaticContact NE2-CZ 3.51Å; H23-T291 HydrophobicContact CB-CG2 4.4Å
24A98.1Very high91.3Very high1 Ų153.7 Ų53.71%0.00831%0.307CS..Hα-helixtrans-65-41.3175.700000112.2L20 D21 K22 A28 M57 M60 Q62L20-A24 PolarHBondContact O-N 2.97Å; D21-A24 PolarHBondContact O-N 3.49Å; K22-A24 VanDerWaalsContact C-N 3.34Å; A24-A28 VanDerWaalsContact O-CB 3.27Å; A24-A28 WeakPolarHBondContact O-CB 3.34Å; A24-A28 PolarHBondContact O-N 2.63Å; A24-M57 HydrophobicContact CB-CE 4.5Å; A24-M57 HydrophobicContact CB-SD 4.09Å; A24-M60 HydrophobicContact CB-CE 3.92Å; A24-Q62 HydrophobicContact CB-CB 4.31Å; A24-Q62 HydrophobicContact CB-CG 3.96Å
25D97.4Very high89.9Confident85 Ų8560.9 Ų60.946%0.45534%0.343SS..Hα-helixtrans-64.7-43.3175.2-72.1-11.9000112.3D21 K22 A28 A29 R65D21-D25 WeakPolarHBondContact O-CB 3.38Å; D21-D25 VanDerWaalsContact O-CG 3.29Å; D21-D25 PolarHBondContact O-N 3.3Å; K22-D25 PolarHBondContact O-N 3.29Å; D25-A28 PolarHBondContact O-N 3.27Å; D25-A29 VanDerWaalsContact O-CB 3.27Å; D25-A29 WeakPolarHBondContact O-CB 3.49Å; D25-A29 PolarHBondContact O-N 3.48Å; D25-R65 IonicContact OD1-CZ 3.48Å; D25-R65 VanDerWaalsContact OD1-CZ 3.25Å; D25-R65 IonicContact OD1-NH1 3.08Å; D25-R65 PolarHBondContact OD1-NH1 3.35Å; D25-R65 IonicContact OD1-NH2 2.73Å; D25-R65 PolarHBondContact OD1-NH2 2.9Å
26Y96.7Very high88.7Confident35 Ų3563.6 Ų63.614%0.13736%0.357CS..Hα-helixtrans-55.4-52.1174.9170.1-101.7000111.9K22 H23 A29 Y30 V286 D287 P288K22-Y26 VanDerWaalsContact O-CB 3.29Å; K22-Y26 WeakPolarHBondContact O-CB 3.49Å; K22-Y26 PolarHBondContact O-N 2.64Å; H23-Y26 PolarHBondContact O-N 2.96Å; Y26-A29 PolarHBondContact O-N 2.78Å; Y26-Y30 PolarHBondContact O-N 3.12Å; Y26-V286 HydrophobicContact CD2-CG2 4.24Å; Y26-V286 HydrophobicContact CE2-CG2 3.55Å; Y26-V286 PolarHBondContact OH-O 3.47Å; Y26-D287 WeakPolarHBondContact OH-CA 3.11Å; Y26-D287 PolarHBondContact OH-N 3.03Å; Y26-P288 HydrophobicContact CE1-CG 4.46Å; Y26-P288 WeakPolarHBondContact OH-CD 3.31Å
27I96.9Very high87.3Confident4 Ų466.8 Ų66.82%0.02136%0.355CS..Hα-helixtrans-68.3-41.4-178.2-63.1-66.6000111.8H23 A29 Y30 G31 V56 M57 M66 P288 T291H23-I27 WeakPolarHBondContact O-CG1 3.43Å; H23-I27 PolarHBondContact O-N 3.44Å; I27-A29 VanDerWaalsContact C-N 3.3Å; I27-A29 PolarHBondContact O-N 3.12Å; I27-Y30 PolarHBondContact O-N 3.09Å; I27-G31 PolarHBondContact O-N 2.98Å; I27-V56 HydrophobicContact CD1-CG1 4.02Å; I27-V56 HydrophobicContact CG1-CG1 3.76Å; I27-V56 HydrophobicContact CG2-CG1 4.35Å; I27-M57 HydrophobicContact CB-CG 4.09Å; I27-M57 HydrophobicContact CB-SD 3.89Å; I27-M57 HydrophobicContact CG2-CG 3.48Å; I27-M57 VanDerWaalsContact CG2-CG 3.48Å; I27-M57 HydrophobicContact CG2-SD 3.95Å; I27-M66 HydrophobicContact CG2-CE 4.19Å; I27-P288 HydrophobicContact CD1-CB 3.9Å; I27-P288 HydrophobicContact CD1-CG 4.3Å; I27-T291 HydrophobicContact CD1-CG2 3.96Å; I27-T291 HydrophobicContact CG1-CG2 4.09Å
28A94.8Very high86Confident25 Ų2569 Ų6921%0.20736%0.358CS..Hα-helixtrans-61.8-39.7176.700000111.7A24 D25 M57A24-A28 VanDerWaalsContact O-CB 3.27Å; A24-A28 WeakPolarHBondContact O-CB 3.34Å; A24-A28 PolarHBondContact O-N 2.63Å; D25-A28 PolarHBondContact O-N 3.27Å; A28-M57 HydrophobicContact CB-CE 4.18Å
29A91.4Very high84.8Confident40 Ų4070.4 Ų70.433%0.33136%0.36SS..Hα-helixtrans-68.4-39.8175.700000112.4D25 Y26 I27 G31 S32D25-A29 VanDerWaalsContact O-CB 3.27Å; D25-A29 WeakPolarHBondContact O-CB 3.49Å; D25-A29 PolarHBondContact O-N 3.48Å; Y26-A29 PolarHBondContact O-N 2.78Å; I27-A29 VanDerWaalsContact C-N 3.3Å; I27-A29 PolarHBondContact O-N 3.12Å; A29-G31 VanDerWaalsContact C-N 3.28Å; A29-G31 PolarHBondContact O-N 3.16Å; A29-S32 PolarHBondContact O-N 3.02Å; A29-S32 PolarHBondContact O-OG 3.1Å
30Y84.8Confident83.9Confident76 Ų7672.9 Ų72.930%0.29838%0.377SS..Hα-helixtrans-56.4-41.4179.5-171.3-91.6000112Y26 I27 S32 P288Y26-Y30 PolarHBondContact O-N 3.12Å; I27-Y30 PolarHBondContact O-N 3.09Å; Y30-S32 PolarHBondContact O-N 2.77Å; Y30-P288 HydrophobicContact CD1-CG 3.8Å; Y30-P288 HydrophobicContact CD2-CG 4Å; Y30-P288 HydrophobicContact CE1-CG 3.76Å; Y30-P288 HydrophobicContact CE2-CG 3.96Å; Y30-P288 HydrophobicContact CG-CG 3.93Å
31G71.6Confident83.1Confident43 Ų4375.6 Ų75.644%0.44339%0.391SS..THydrogen-bonded Turntrans-67.6-14.7177.800000115.5I27 A29I27-G31 PolarHBondContact O-N 2.98Å; A29-G31 VanDerWaalsContact C-N 3.28Å; A29-G31 PolarHBondContact O-N 3.16Å
32S74.1Confident82.5Confident84 Ų8470.7 Ų70.759%0.58737%0.367SS*.THydrogen-bonded Turntrans-97.2-19.2-176.572.20000114.3A29 Y30 K34A29-S32 PolarHBondContact O-N 3.02Å; A29-S32 PolarHBondContact O-OG 3.1Å; Y30-S32 PolarHBondContact O-N 2.77Å; S32-K34 PolarHBondContact O-N 3.42Å; S32-K34 VanDerWaalsContact O-N 3.1Å
33K72.8Confident82.1Confident127 Ų12770 Ų7055%0.55237%0.365SS*.  trans-88.369.3-175.1-68.1-178.3179.1179.30111.8D35K33-D35 VanDerWaalsContact C-N 3.33Å; K33-D35 PolarHBondContact O-N 3.29Å
34K68.1Low81.7Confident91 Ų9176.6 Ų76.640%0.39639%0.391SS..THydrogen-bonded Turntrans-73.9-21.5-175.6-64.7178.6179.6174.90114.4S32 D36 Y39 E70S32-K34 PolarHBondContact O-N 3.42Å; S32-K34 VanDerWaalsContact O-N 3.1Å; K34-D36 VanDerWaalsContact C-N 3.34Å; K34-Y39 WeakPolarHBondContact O-CD1 3.36Å; K34-E70 WeakPolarHBondContact CE-OE1 3.36Å; K34-E70 IonicContact NZ-OE1 2.88Å; K34-E70 PolarHBondContact NZ-OE1 3.32Å; K34-E70 IonicContact NZ-OE2 3.25Å
35D66.5Low81.5Confident170 Ų17078.5 Ų78.591%0.90940%0.4SS*.THydrogen-bonded Turntrans-91.58.3-176.8-61.7-32.5000113.4K33K33-D35 VanDerWaalsContact C-N 3.33Å; K33-D35 PolarHBondContact O-N 3.29Å
36D71.4Confident81.4Confident70 Ų7075.2 Ų75.237%0.37438%0.382SS..  trans-83149.1-176.1-153.8-14.2000112.7K34 E38 Y39 T40K34-D36 VanDerWaalsContact C-N 3.34Å; D36-E38 VanDerWaalsContact C-N 3.34Å; D36-E38 PolarHBondContact O-N 3.28Å; D36-Y39 WeakPolarHBondContact O-CB 3.44Å; D36-Y39 PolarHBondContact O-N 3.08Å; D36-T40 PolarHBondContact O-N 3.13Å
37Y65.3Low81.5Confident166 Ų16673.6 Ų73.665%0.65138%0.375SS*.Hα-helixtrans-64.2-39.7178.2-179.8-111.3000111.7Y39 T40 L41Y37-Y39 VanDerWaalsContact C-N 3.3Å; Y37-Y39 PolarHBondContact O-N 2.79Å; Y37-T40 PolarHBondContact O-N 2.7Å; Y37-T40 VanDerWaalsContact O-N 3.16Å; Y37-L41 HydrophobicContact CD1-CD1 3.81Å; Y37-L41 HydrophobicContact CD1-CG 4.26Å; Y37-L41 HydrophobicContact CE1-CD1 3.17Å; Y37-L41 HydrophobicContact CE1-CG 3.85Å; Y37-L41 HydrophobicContact CE2-CD1 4.35Å; Y37-L41 HydrophobicContact CE2-CD2 4.37Å; Y37-L41 HydrophobicContact CE2-CG 4.18Å; Y37-L41 VanDerWaalsContact CZ-CD1 3.48Å; Y37-L41 PolarHBondContact O-N 3.26Å
38E69.3Low81.5Confident118 Ų11874 Ų7455%0.55138%0.379SS*.Hα-helixtrans-64.9-34.6175.7-69.3-174.2177.500112.3D36 T40 L41 S42D36-E38 VanDerWaalsContact C-N 3.34Å; D36-E38 PolarHBondContact O-N 3.28Å; E38-T40 VanDerWaalsContact C-N 3.3Å; E38-T40 PolarHBondContact O-N 3.05Å; E38-L41 PolarHBondContact O-N 3.23Å; E38-S42 WeakPolarHBondContact O-CB 3.36Å; E38-S42 PolarHBondContact O-N 2.98Å; E38-S42 PolarHBondContact O-OG 3.03Å
39Y74.4Confident81.6Confident68 Ų6873.5 Ų73.527%0.26738%0.376SS..Hα-helixtrans-58-48.2172.8-174.7-92.7000109.2K34 D36 Y37 S42 R46K34-Y39 WeakPolarHBondContact O-CD1 3.36Å; D36-Y39 WeakPolarHBondContact O-CB 3.44Å; D36-Y39 PolarHBondContact O-N 3.08Å; Y37-Y39 VanDerWaalsContact C-N 3.3Å; Y37-Y39 PolarHBondContact O-N 2.79Å; Y39-S42 PolarHBondContact O-OG 3.19Å; Y39-R46 VanDerWaalsContact CD2-NH1 3.31Å; Y39-R46 VanDerWaalsContact CE1-NH2 3.31Å; Y39-R46 VanDerWaalsContact CE2-CZ 3.49Å; Y39-R46 VanDerWaalsContact CZ-CZ 3.42Å; Y39-R46 PolarHBondContact O-NH1 3.44Å; Y39-R46 PolarHBondContact O-NH2 3.34Å
40T78.3Confident81.9Confident88 Ų8873.2 Ų73.254%0.5437%0.368SS..Hα-helixtrans-65.6-45.9179.1-53.90000112.6D36 Y37 E38 S42 E43D36-T40 PolarHBondContact O-N 3.13Å; Y37-T40 PolarHBondContact O-N 2.7Å; Y37-T40 VanDerWaalsContact O-N 3.16Å; E38-T40 VanDerWaalsContact C-N 3.3Å; E38-T40 PolarHBondContact O-N 3.05Å; T40-S42 VanDerWaalsContact C-N 3.29Å; T40-S42 PolarHBondContact O-N 3.12Å; T40-E43 VanDerWaalsContact O-CB 3.29Å; T40-E43 WeakPolarHBondContact O-CB 3.48Å; T40-E43 PolarHBondContact O-N 3.04Å
41L80.4Confident82.6Confident95 Ų9570.2 Ų70.250%0.49736%0.357SS..Hα-helixtrans-66.8-28.3-177-75.2-173.2000113.9Y37 E38 E43 Y44Y37-L41 HydrophobicContact CD1-CD1 3.81Å; Y37-L41 HydrophobicContact CD1-CG 4.26Å; Y37-L41 HydrophobicContact CE1-CD1 3.17Å; Y37-L41 HydrophobicContact CE1-CG 3.85Å; Y37-L41 HydrophobicContact CE2-CD1 4.35Å; Y37-L41 HydrophobicContact CE2-CD2 4.37Å; Y37-L41 HydrophobicContact CE2-CG 4.18Å; Y37-L41 VanDerWaalsContact CZ-CD1 3.48Å; Y37-L41 PolarHBondContact O-N 3.26Å; E38-L41 PolarHBondContact O-N 3.23Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-Y44 VanDerWaalsContact O-CD1 3.25Å; L41-Y44 WeakPolarHBondContact O-CD1 3.33Å; L41-Y44 WeakPolarHBondContact O-CE1 3.46Å
42S83.6Confident83.9Confident18 Ų1870.1 Ų70.113%0.12634%0.343CS..THydrogen-bonded Turntrans-90.37.1179.259.80000113.6E38 Y39 T40 Y44 L45 R46E38-S42 WeakPolarHBondContact O-CB 3.36Å; E38-S42 PolarHBondContact O-N 2.98Å; E38-S42 PolarHBondContact O-OG 3.03Å; Y39-S42 PolarHBondContact O-OG 3.19Å; T40-S42 VanDerWaalsContact C-N 3.29Å; T40-S42 PolarHBondContact O-N 3.12Å; S42-Y44 PolarHBondContact O-N 3.04Å; S42-L45 WeakPolarHBondContact O-CD1 3.4Å; S42-L45 WeakPolarHBondContact O-CG 3.48Å; S42-L45 PolarHBondContact O-N 3.46Å; S42-R46 PolarHBondContact O-N 3.38Å; S42-R46 PolarHBondContact OG-NH1 3.39Å
43E89.3Confident85Confident66 Ų6666.5 Ų66.531%0.30832%0.319SS..G310 helixtrans-58.5-34.5-175.1-171.9175.8103.600113.2T40 L41 L45 R46 S88 H91T40-E43 VanDerWaalsContact O-CB 3.29Å; T40-E43 WeakPolarHBondContact O-CB 3.48Å; T40-E43 PolarHBondContact O-N 3.04Å; L41-E43 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 2.93Å; E43-R46 WeakPolarHBondContact O-CB 3.22Å; E43-R46 PolarHBondContact O-N 3Å; E43-R46 VanDerWaalsContact O-N 3.1Å; E43-R46 IonicContact OE2-NH2 3.28Å; E43-S88 WeakPolarHBondContact CG-OG 3.18Å; E43-H91 IonicContact OE1-CD2 2.74Å; E43-H91 IonicContact OE1-CE1 3.3Å; E43-H91 IonicContact OE1-NE2 3.09Å; E43-H91 PolarHBondContact OE1-NE2 2.88Å
44Y91.4Very high86.2Confident139 Ų13960.5 Ų60.555%0.54529%0.292SS..G310 helixtrans-64.2-10.2178.873.2-89.7000114.1L41 S42 A87 Y97L41-Y44 VanDerWaalsContact O-CD1 3.25Å; L41-Y44 WeakPolarHBondContact O-CD1 3.33Å; L41-Y44 WeakPolarHBondContact O-CE1 3.46Å; S42-Y44 PolarHBondContact O-N 3.04Å; Y44-A87 VanDerWaalsContact C-CB 3.41Å; Y44-A87 WeakPolarHBondContact O-CB 3.47Å; Y44-Y97 VanDerWaalsContact O-CZ 3.24Å; Y44-Y97 PolarHBondContact O-OH 3.09Å
45L92.6Very high87.7Confident41 Ų4156.1 Ų56.122%0.21527%0.274CS..G310 helixtrans-127.214.5175.759.271.9000113S42 E43 M47 S48 G49 W52S42-L45 WeakPolarHBondContact O-CD1 3.4Å; S42-L45 WeakPolarHBondContact O-CG 3.48Å; S42-L45 PolarHBondContact O-N 3.46Å; E43-L45 PolarHBondContact O-N 2.93Å; L45-M47 VanDerWaalsContact C-N 3.34Å; L45-M47 PolarHBondContact O-N 3.19Å; L45-S48 PolarHBondContact O-N 3.42Å; L45-G49 PolarHBondContact O-N 3.44Å; L45-W52 HydrophobicContact CD1-CH2 4.19Å; L45-W52 HydrophobicContact CD1-CZ3 4.03Å; L45-W52 HydrophobicContact CD2-CH2 4.45Å
46R95.8Very high89.3Confident16 Ų1648 Ų486%0.0623%0.23CC..Hα-helixtrans-51.3-47.6-172.7178.882.469.9-130.1-11.8112.9Y39 S42 E43 S48 G49 I50 F74 A87Y39-R46 VanDerWaalsContact CD2-NH1 3.31Å; Y39-R46 VanDerWaalsContact CE1-NH2 3.31Å; Y39-R46 VanDerWaalsContact CE2-CZ 3.49Å; Y39-R46 VanDerWaalsContact CZ-CZ 3.42Å; Y39-R46 PolarHBondContact O-NH1 3.44Å; Y39-R46 PolarHBondContact O-NH2 3.34Å; S42-R46 PolarHBondContact O-N 3.38Å; S42-R46 PolarHBondContact OG-NH1 3.39Å; E43-R46 WeakPolarHBondContact O-CB 3.22Å; E43-R46 PolarHBondContact O-N 3Å; E43-R46 VanDerWaalsContact O-N 3.1Å; E43-R46 IonicContact OE2-NH2 3.28Å; R46-S48 VanDerWaalsContact C-N 3.32Å; R46-S48 PolarHBondContact O-N 3.39Å; R46-G49 CarbonylContact O-C 3.58Å; R46-G49 WeakPolarHBondContact O-CA 3.45Å; R46-G49 PolarHBondContact O-N 3.21Å; R46-G49 VanDerWaalsContact O-N 3.09Å; R46-I50 HydrophobicContact CG-CD1 3.99Å; R46-I50 HydrophobicContact CG-CG1 4.45Å; R46-I50 WeakPolarHBondContact O-CG1 3.37Å; R46-I50 PolarHBondContact O-N 2.91Å; R46-F74 HydrophobicContact CB-CZ 4.4Å; R46-F74 HydrophobicContact CG-CE1 4.14Å; R46-F74 HydrophobicContact CG-CZ 3.7Å; R46-A87 WeakPolarHBondContact CB-O 3.25Å
47M98.3Very high90.6Very high0 Ų044.7 Ų44.70%021%0.213CC..Hα-helixtrans-55.9-45.9179.7-170.159.671.300112.3L45 I50 Y51 F74 I75 C78 I85 A87 Y97 A101 I104L45-M47 VanDerWaalsContact C-N 3.34Å; L45-M47 PolarHBondContact O-N 3.19Å; M47-I50 PolarHBondContact O-N 3.4Å; M47-Y51 PolarHBondContact O-N 3.18Å; M47-F74 HydrophobicContact CE-CD1 3.93Å; M47-F74 HydrophobicContact CE-CE1 3.59Å; M47-F74 HydrophobicContact SD-CE1 4.3Å; M47-I75 HydrophobicContact CE-CB 4.35Å; M47-I75 HydrophobicContact CE-CG1 3.76Å; M47-I75 HydrophobicContact SD-CD1 4.39Å; M47-I75 HydrophobicContact SD-CG1 3.7Å; M47-C78 HydrophobicContact CE-CB 3.9Å; M47-I85 HydrophobicContact CE-CG2 3.94Å; M47-A87 WeakPolarHBondContact CB-O 3.44Å; M47-A87 PolarHBondContact N-O 3.16Å; M47-Y97 HydrophobicContact CB-CD1 4.37Å; M47-Y97 WeakPolarHBondContact CG-O 3.48Å; M47-A101 HydrophobicContact CE-CB 4.3Å; M47-A101 HydrophobicContact CG-CB 4.1Å; M47-A101 HydrophobicContact SD-CB 3.9Å; M47-I104 HydrophobicContact SD-CD1 3.8Å
48S98.3Very high92.1Very high13 Ų1337.4 Ų37.49%0.09119%0.185CC..Hα-helixtrans-69.1-36.7176.4-57.60000111.7L45 R46 I50 Y51 W52 S100L45-S48 PolarHBondContact O-N 3.42Å; R46-S48 VanDerWaalsContact C-N 3.32Å; R46-S48 PolarHBondContact O-N 3.39Å; S48-I50 VanDerWaalsContact C-N 3.35Å; S48-I50 PolarHBondContact O-N 3.41Å; S48-Y51 WeakPolarHBondContact O-CB 3.37Å; S48-Y51 PolarHBondContact O-N 3.39Å; S48-Y51 VanDerWaalsContact O-N 3.17Å; S48-W52 PolarHBondContact O-N 3Å; S48-S100 WeakPolarHBondContact CA-OG 3.46Å; S48-S100 PolarHBondContact OG-OG 3.41Å
49G97.1Very high93.6Very high15 Ų1531.8 Ų31.816%0.15516%0.159CC..Hα-helixtrans-55.6-45.5170.600000113.6L45 R46 W52 G53L45-G49 PolarHBondContact O-N 3.44Å; R46-G49 CarbonylContact O-C 3.58Å; R46-G49 WeakPolarHBondContact O-CA 3.45Å; R46-G49 PolarHBondContact O-N 3.21Å; R46-G49 VanDerWaalsContact O-N 3.09Å; G49-W52 VanDerWaalsContact CA-CE3 3.43Å; G49-W52 PolarHBondContact O-N 3.29Å; G49-G53 PolarHBondContact O-N 2.92Å; G49-G53 VanDerWaalsContact O-N 3.07Å
50I97.3Very high94.7Very high33 Ų3329.1 Ų29.117%0.16915%0.149CC..Hα-helixtrans-63.8-44.9175-65.6167.6000110R46 M47 S48 W52 G53 L54 I71 F74 I104R46-I50 HydrophobicContact CG-CD1 3.99Å; R46-I50 HydrophobicContact CG-CG1 4.45Å; R46-I50 WeakPolarHBondContact O-CG1 3.37Å; R46-I50 PolarHBondContact O-N 2.91Å; M47-I50 PolarHBondContact O-N 3.4Å; S48-I50 VanDerWaalsContact C-N 3.35Å; S48-I50 PolarHBondContact O-N 3.41Å; I50-W52 VanDerWaalsContact C-N 3.32Å; I50-W52 PolarHBondContact O-N 2.9Å; I50-G53 PolarHBondContact O-N 3.24Å; I50-L54 HydrophobicContact CG2-CD1 3.8Å; I50-L54 HydrophobicContact CG2-CG 4.01Å; I50-L54 WeakPolarHBondContact O-CB 3.22Å; I50-L54 VanDerWaalsContact O-CG 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.36Å; I50-L54 PolarHBondContact O-N 2.99Å; I50-I71 HydrophobicContact CG2-CD1 4.2Å; I50-I71 HydrophobicContact CG2-CG1 4.34Å; I50-I71 HydrophobicContact CG2-CG2 3.71Å; I50-F74 HydrophobicContact CD1-CD1 3.7Å; I50-F74 HydrophobicContact CD1-CE1 3.59Å; I50-F74 HydrophobicContact CD1-CZ 4.42Å; I50-I104 HydrophobicContact CB-CD1 4.07Å; I50-I104 HydrophobicContact CG2-CD1 3.73Å; I50-I104 HydrophobicContact CG2-CG1 4.44Å
51Y98.8Very high95.7Very high14 Ų1426.9 Ų26.96%0.05514%0.143CC..Hα-helixtrans-55.9-46.1175.8159.5-104000111.6M47 S48 L54 T55 Q103 L292 L313 C314 M315M47-Y51 PolarHBondContact O-N 3.18Å; S48-Y51 WeakPolarHBondContact O-CB 3.37Å; S48-Y51 PolarHBondContact O-N 3.39Å; S48-Y51 VanDerWaalsContact O-N 3.17Å; Y51-L54 PolarHBondContact O-N 2.72Å; Y51-T55 VanDerWaalsContact CD2-OG1 3.29Å; Y51-T55 WeakPolarHBondContact CD2-OG1 3.49Å; Y51-T55 HydrophobicContact CE2-CG2 4.49Å; Y51-T55 WeakPolarHBondContact CE2-OG1 3.31Å; Y51-T55 WeakPolarHBondContact O-CB 3.36Å; Y51-T55 PolarHBondContact O-N 3.3Å; Y51-T55 PolarHBondContact O-OG1 3.26Å; Y51-Q103 HydrophobicContact CD2-CB 3.62Å; Y51-Q103 HydrophobicContact CD2-CG 4.42Å; Y51-Q103 HydrophobicContact CE2-CB 3.65Å; Y51-Q103 HydrophobicContact CE2-CG 4.1Å; Y51-Q103 PolarHBondContact OH-NE2 3.13Å; Y51-Q103 VanDerWaalsContact OH-NE2 3.15Å; Y51-L292 HydrophobicContact CE1-CD2 4.17Å; Y51-L313 PolarHBondContact OH-O 2.88Å; Y51-C314 PolarHBondContact OH-O 3.38Å; Y51-M315 HydrophobicContact CE2-CG 4.28Å
52W98.7Very high96.5Very high41 Ų4124.9 Ų24.916%0.15513%0.131CC..Hα-helixtrans-61.2-49.9179.1-53-36.6000111.9L45 S48 G49 I50 L54 T55 V56 F289 L292L45-W52 HydrophobicContact CD1-CH2 4.19Å; L45-W52 HydrophobicContact CD1-CZ3 4.03Å; L45-W52 HydrophobicContact CD2-CH2 4.45Å; S48-W52 PolarHBondContact O-N 3Å; G49-W52 VanDerWaalsContact CA-CE3 3.43Å; G49-W52 PolarHBondContact O-N 3.29Å; I50-W52 VanDerWaalsContact C-N 3.32Å; I50-W52 PolarHBondContact O-N 2.9Å; W52-L54 PolarHBondContact O-N 2.88Å; W52-T55 PolarHBondContact O-N 3.4Å; W52-V56 WeakPolarHBondContact O-CG1 3.46Å; W52-V56 PolarHBondContact O-N 3.45Å; W52-F289 HydrophobicContact CD2-CB 4Å; W52-F289 AromaticContact CD2-CD2 3.83Å; W52-F289 HydrophobicContact CD2-CD2 3.83Å; W52-F289 HydrophobicContact CD2-CG 4.43Å; W52-F289 AromaticContact CE2-CD2 3.51Å; W52-F289 HydrophobicContact CE3-CB 3.65Å; W52-F289 HydrophobicContact CE3-CD2 4.15Å; W52-F289 HydrophobicContact CE3-CG 4.4Å; W52-F289 HydrophobicContact CG-CD2 4.44Å; W52-F289 HydrophobicContact CH2-CB 4.46Å; W52-F289 AromaticContact CH2-CD2 3.97Å; W52-F289 HydrophobicContact CH2-CD2 3.97Å; W52-F289 AromaticContact CZ2-CD2 3.6Å; W52-F289 HydrophobicContact CZ2-CD2 3.6Å; W52-F289 HydrophobicContact CZ2-CE2 4.09Å; W52-F289 HydrophobicContact CZ3-CB 3.92Å; W52-F289 HydrophobicContact CZ3-CD2 4.23Å; W52-F289 HydrophobicContact CZ3-CG 4.5Å; W52-F289 AromaticContact NE1-CD2 3.87Å; W52-L292 HydrophobicContact CB-CB 4.24Å; W52-L292 HydrophobicContact CB-CD2 4.15Å; W52-L292 HydrophobicContact CG-CD2 4.29Å
53G98.1Very high97.2Very high7 Ų725.2 Ų25.27%0.07213%0.131CC..Hα-helixtrans-61.5-44.6179.300000113.1G49 I50 V56 M57G49-G53 PolarHBondContact O-N 2.92Å; G49-G53 VanDerWaalsContact O-N 3.07Å; I50-G53 PolarHBondContact O-N 3.24Å; G53-V56 WeakPolarHBondContact O-CG1 3.43Å; G53-M57 WeakPolarHBondContact O-CB 3.27Å; G53-M57 WeakPolarHBondContact O-CG 3.45Å; G53-M57 PolarHBondContact O-N 3.42Å; G53-M57 VanDerWaalsContact O-N 3.09Å
54L98.6Very high97.6Very high1 Ų129 Ų291%0.00515%0.148CC..Hα-helixtrans-69.3-42.5179.9-67.7-171.8000112.7I50 Y51 W52 V56 M57 D58 L63 M66 I71 I104 L107 Y108I50-L54 HydrophobicContact CG2-CD1 3.8Å; I50-L54 HydrophobicContact CG2-CG 4.01Å; I50-L54 WeakPolarHBondContact O-CB 3.22Å; I50-L54 VanDerWaalsContact O-CG 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.36Å; I50-L54 PolarHBondContact O-N 2.99Å; Y51-L54 PolarHBondContact O-N 2.72Å; W52-L54 PolarHBondContact O-N 2.88Å; L54-V56 PolarHBondContact O-N 2.84Å; L54-M57 PolarHBondContact O-N 2.55Å; L54-D58 PolarHBondContact O-N 3.36Å; L54-L63 HydrophobicContact CB-CD1 4.11Å; L54-L63 HydrophobicContact CD2-CD1 3.91Å; L54-L63 HydrophobicContact CG-CD1 4.5Å; L54-M66 HydrophobicContact CD2-CB 3.46Å; L54-M66 VanDerWaalsContact CD2-CB 3.46Å; L54-M66 HydrophobicContact CD2-CE 3.98Å; L54-M66 HydrophobicContact CD2-CG 3.57Å; L54-I71 HydrophobicContact CD1-CD1 3.96Å; L54-I71 HydrophobicContact CD1-CG2 4.06Å; L54-I71 HydrophobicContact CD2-CD1 3.77Å; L54-I71 HydrophobicContact CG-CD1 4.24Å; L54-I104 HydrophobicContact CD1-CB 4.45Å; L54-I104 HydrophobicContact CD1-CG1 4.24Å; L54-I104 HydrophobicContact CD1-CG2 3.52Å; L54-L107 HydrophobicContact CB-CD1 3.9Å; L54-Y108 HydrophobicContact CD1-CD2 4.38Å; L54-Y108 HydrophobicContact CD1-CE2 3.43Å; L54-Y108 VanDerWaalsContact CD1-CE2 3.43Å; L54-Y108 VanDerWaalsContact CD2-OH 3.23Å; L54-Y108 WeakPolarHBondContact CD2-OH 3.32Å
55T98.9Very high97.8Very high0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-62.7-45.7-179.5-58.40000110.7Y51 W52 M57 D58 L59 L292 C314Y51-T55 VanDerWaalsContact CD2-OG1 3.29Å; Y51-T55 WeakPolarHBondContact CD2-OG1 3.49Å; Y51-T55 HydrophobicContact CE2-CG2 4.49Å; Y51-T55 WeakPolarHBondContact CE2-OG1 3.31Å; Y51-T55 WeakPolarHBondContact O-CB 3.36Å; Y51-T55 PolarHBondContact O-N 3.3Å; Y51-T55 PolarHBondContact O-OG1 3.26Å; W52-T55 PolarHBondContact O-N 3.4Å; T55-M57 VanDerWaalsContact C-N 3.34Å; T55-M57 PolarHBondContact O-N 2.81Å; T55-D58 PolarHBondContact O-N 2.86Å; T55-L59 HydrophobicContact CG2-CD1 4.28Å; T55-L59 WeakPolarHBondContact O-CG 3.45Å; T55-L59 PolarHBondContact O-N 3.12Å; T55-L292 HydrophobicContact CG2-CD1 3.58Å; T55-L292 HydrophobicContact CG2-CD2 4.43Å; T55-C314 WeakPolarHBondContact CG2-O 3.27Å
56V98.8Very high98Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-66.6-38.2178.474.50000111.5I27 W52 G53 L54 D58 L59 M60 T291 L292 V295I27-V56 HydrophobicContact CD1-CG1 4.02Å; I27-V56 HydrophobicContact CG1-CG1 3.76Å; I27-V56 HydrophobicContact CG2-CG1 4.35Å; W52-V56 WeakPolarHBondContact O-CG1 3.46Å; W52-V56 PolarHBondContact O-N 3.45Å; G53-V56 WeakPolarHBondContact O-CG1 3.43Å; L54-V56 PolarHBondContact O-N 2.84Å; V56-D58 VanDerWaalsContact C-N 3.32Å; V56-D58 PolarHBondContact O-N 3.26Å; V56-L59 PolarHBondContact O-N 2.8Å; V56-M60 HydrophobicContact CG1-CE 4.39Å; V56-M60 HydrophobicContact CG2-CE 4.11Å; V56-M60 HydrophobicContact CG2-SD 4.41Å; V56-M60 VanDerWaalsContact O-CG 3.24Å; V56-M60 WeakPolarHBondContact O-CG 3.48Å; V56-M60 PolarHBondContact O-N 3.43Å; V56-T291 HydrophobicContact CG1-CG2 4.45Å; V56-T291 HydrophobicContact CG2-CG2 4.24Å; V56-L292 HydrophobicContact CB-CB 4.22Å; V56-L292 HydrophobicContact CB-CD1 4.03Å; V56-V295 HydrophobicContact CG2-CB 3.6Å; V56-V295 HydrophobicContact CG2-CG1 3.81Å; V56-V295 HydrophobicContact CG2-CG2 3.58Å
57M98.7Very high98Very high0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-62.8-38.6174.5-70.6-67.9-83.400111.9A24 I27 A28 G53 L54 T55 M60 G61 Q62 L63 R65 M66A24-M57 HydrophobicContact CB-CE 4.5Å; A24-M57 HydrophobicContact CB-SD 4.09Å; I27-M57 HydrophobicContact CB-CG 4.09Å; I27-M57 HydrophobicContact CB-SD 3.89Å; I27-M57 HydrophobicContact CG2-CG 3.48Å; I27-M57 VanDerWaalsContact CG2-CG 3.48Å; I27-M57 HydrophobicContact CG2-SD 3.95Å; A28-M57 HydrophobicContact CB-CE 4.18Å; G53-M57 WeakPolarHBondContact O-CB 3.27Å; G53-M57 WeakPolarHBondContact O-CG 3.45Å; G53-M57 PolarHBondContact O-N 3.42Å; G53-M57 VanDerWaalsContact O-N 3.09Å; L54-M57 PolarHBondContact O-N 2.55Å; T55-M57 VanDerWaalsContact C-N 3.34Å; T55-M57 PolarHBondContact O-N 2.81Å; M57-M60 PolarHBondContact O-N 2.85Å; M57-M60 HydrophobicContact SD-CE 3.67Å; M57-G61 PolarHBondContact O-N 3.38Å; M57-Q62 HydrophobicContact CE-CB 3.78Å; M57-Q62 WeakPolarHBondContact CE-O 3.18Å; M57-Q62 CarbonylContact O-C 3.46Å; M57-Q62 WeakPolarHBondContact O-CA 3.43Å; M57-Q62 PolarHBondContact O-N 3.04Å; M57-Q62 HydrophobicContact SD-CB 4.08Å; M57-L63 PolarHBondContact O-N 3.16Å; M57-R65 HydrophobicContact CE-CB 3.75Å; M57-R65 HydrophobicContact CE-CG 4.34Å; M57-M66 HydrophobicContact CB-CG 4.18Å; M57-M66 HydrophobicContact CE-CG 4.27Å; M57-M66 HydrophobicContact CE-SD 3.76Å; M57-M66 HydrophobicContact CG-CG 4.08Å; M57-M66 HydrophobicContact CG-SD 3.94Å
58D98.8Very high97.9Very high13 Ų1335.8 Ų35.87%0.0718%0.178CC..Hα-helixtrans-70.1-41.4175.5-163.612.5000112.6L54 T55 V56 M60 G61 L63 K307 P316L54-D58 PolarHBondContact O-N 3.36Å; T55-D58 PolarHBondContact O-N 2.86Å; V56-D58 VanDerWaalsContact C-N 3.32Å; V56-D58 PolarHBondContact O-N 3.26Å; D58-M60 PolarHBondContact O-N 2.99Å; D58-G61 PolarHBondContact O-N 3.31Å; D58-L63 HydrophobicContact CB-CB 3.98Å; D58-L63 HydrophobicContact CB-CD1 4.46Å; D58-L63 HydrophobicContact CB-CD2 4.06Å; D58-L63 HydrophobicContact CB-CG 4.39Å; D58-K307 VanDerWaalsContact O-CD 3.28Å; D58-K307 WeakPolarHBondContact O-CD 3.14Å; D58-K307 WeakPolarHBondContact O-CE 3.32Å; D58-K307 IonicContact OD1-NZ 3.57Å; D58-K307 PolarHBondContact OD1-NZ 3.38Å; D58-P316 HydrophobicContact CB-CG 4Å
59L98.9Very high97.9Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-56.6-33.9173.2-73.2173.5000112.1T55 V56 L292 V295 A296 I306 K307 V309 P316T55-L59 HydrophobicContact CG2-CD1 4.28Å; T55-L59 WeakPolarHBondContact O-CG 3.45Å; T55-L59 PolarHBondContact O-N 3.12Å; V56-L59 PolarHBondContact O-N 2.8Å; L59-L292 HydrophobicContact CD1-CD1 3.92Å; L59-V295 HydrophobicContact CB-CG1 4.12Å; L59-V295 HydrophobicContact CD1-CG1 4.41Å; L59-A296 HydrophobicContact CD1-CB 4.2Å; L59-I306 HydrophobicContact CB-CG2 3.95Å; L59-I306 WeakPolarHBondContact O-CG2 3.41Å; L59-K307 HydrophobicContact CD2-CB 4.29Å; L59-K307 PolarHBondContact O-N 3.35Å; L59-V309 HydrophobicContact CD1-CB 4.41Å; L59-V309 HydrophobicContact CD1-CG2 4.14Å; L59-V309 HydrophobicContact CD2-CB 3.77Å; L59-V309 HydrophobicContact CD2-CG2 4.04Å; L59-P316 HydrophobicContact CD2-CB 4.23Å; L59-P316 HydrophobicContact CD2-CG 3.82Å; L59-P316 HydrophobicContact CG-CG 4.1Å
60M98.6Very high97.8Very high12 Ų1244 Ų446%0.05921%0.211CC..THydrogen-bonded Turntrans-86.2-0.3175.5-60.5-174.3-63.400114L20 H23 A24 V56 M57 D58 Q62 V295L20-M60 HydrophobicContact CD1-CB 4.3Å; L20-M60 HydrophobicContact CD1-CG 3.57Å; L20-M60 HydrophobicContact CD1-SD 3.65Å; L20-M60 HydrophobicContact CG-CB 4.31Å; L20-M60 HydrophobicContact CG-CG 4.07Å; L20-M60 HydrophobicContact CG-SD 4.04Å; H23-M60 HydrophobicContact CB-CE 4.39Å; H23-M60 HydrophobicContact CB-SD 3.89Å; A24-M60 HydrophobicContact CB-CE 3.92Å; V56-M60 HydrophobicContact CG1-CE 4.39Å; V56-M60 HydrophobicContact CG2-CE 4.11Å; V56-M60 HydrophobicContact CG2-SD 4.41Å; V56-M60 VanDerWaalsContact O-CG 3.24Å; V56-M60 WeakPolarHBondContact O-CG 3.48Å; V56-M60 PolarHBondContact O-N 3.43Å; M57-M60 PolarHBondContact O-N 2.85Å; M57-M60 HydrophobicContact SD-CE 3.67Å; D58-M60 PolarHBondContact O-N 2.99Å; M60-Q62 VanDerWaalsContact C-N 3.29Å; M60-Q62 HydrophobicContact CB-CG 4.24Å; M60-Q62 PolarHBondContact O-N 2.98Å; M60-V295 HydrophobicContact CG-CG1 4.15Å; M60-V295 HydrophobicContact SD-CG2 4.4Å
61G98.4Very high97.8Very high40 Ų4043.4 Ų43.441%0.41221%0.208SC..THydrogen-bonded Turntrans73.516.6-176.700000114.9M57 D58M57-G61 PolarHBondContact O-N 3.38Å; D58-G61 PolarHBondContact O-N 3.31Å
62Q98.3Very high97.8Very high53 Ų5343.2 Ų43.225%0.24821%0.208CC..  trans-111.98.7-171.2-64.7-63-25.800113.7A24 M57 M60 H64 R65A24-Q62 HydrophobicContact CB-CB 4.31Å; A24-Q62 HydrophobicContact CB-CG 3.96Å; M57-Q62 HydrophobicContact CE-CB 3.78Å; M57-Q62 WeakPolarHBondContact CE-O 3.18Å; M57-Q62 CarbonylContact O-C 3.46Å; M57-Q62 WeakPolarHBondContact O-CA 3.43Å; M57-Q62 PolarHBondContact O-N 3.04Å; M57-Q62 HydrophobicContact SD-CB 4.08Å; M60-Q62 VanDerWaalsContact C-N 3.29Å; M60-Q62 HydrophobicContact CB-CG 4.24Å; M60-Q62 PolarHBondContact O-N 2.98Å; Q62-H64 PolarHBondContact O-N 3.3Å; Q62-H64 PolarHBondContact OE1-CE1 2.96Å; Q62-H64 VanDerWaalsContact OE1-CE1 3.31Å; Q62-R65 WeakPolarHBondContact O-CB 3.22Å; Q62-R65 PolarHBondContact O-N 3.45Å
63L97.8Very high97.8Very high25 Ų2544.6 Ų44.613%0.13122%0.219CC..G310 helixtrans-52.3-32.4-178.5-176.261.3000113.6L54 M57 D58 R65 M66 Y108L54-L63 HydrophobicContact CB-CD1 4.11Å; L54-L63 HydrophobicContact CD2-CD1 3.91Å; L54-L63 HydrophobicContact CG-CD1 4.5Å; M57-L63 PolarHBondContact O-N 3.16Å; D58-L63 HydrophobicContact CB-CB 3.98Å; D58-L63 HydrophobicContact CB-CD1 4.46Å; D58-L63 HydrophobicContact CB-CD2 4.06Å; D58-L63 HydrophobicContact CB-CG 4.39Å; L63-R65 PolarHBondContact O-N 2.83Å; L63-R65 VanDerWaalsContact O-N 3.07Å; L63-M66 HydrophobicContact CD1-CG 4.49Å; L63-M66 WeakPolarHBondContact O-CB 3.27Å; L63-M66 PolarHBondContact O-N 3.26Å; L63-Y108 HydrophobicContact CD1-CE1 3.88Å; L63-Y108 HydrophobicContact CD2-CD1 4.19Å; L63-Y108 HydrophobicContact CD2-CE1 3.96Å; L63-Y108 HydrophobicContact CG-CE1 3.92Å
64H97.1Very high97.8Very high146 Ų14646 Ų4668%0.67622%0.223SC*.G310 helixtrans-60.5-16.3178.969.3-85.9000114.5Q62 M66Q62-H64 PolarHBondContact O-N 3.3Å; Q62-H64 PolarHBondContact OE1-CE1 2.96Å; Q62-H64 VanDerWaalsContact OE1-CE1 3.31Å; H64-M66 VanDerWaalsContact C-N 3.26Å
65R96.8Very high97.8Very high95 Ų9546 Ų4636%0.35822%0.223SC..G310 helixtrans-77.3-11.8175-63.817657.3172.23.3113D25 M57 Q62 L63D25-R65 IonicContact OD1-CZ 3.48Å; D25-R65 VanDerWaalsContact OD1-CZ 3.25Å; D25-R65 IonicContact OD1-NH1 3.08Å; D25-R65 PolarHBondContact OD1-NH1 3.35Å; D25-R65 IonicContact OD1-NH2 2.73Å; D25-R65 PolarHBondContact OD1-NH2 2.9Å; M57-R65 HydrophobicContact CE-CB 3.75Å; M57-R65 HydrophobicContact CE-CG 4.34Å; Q62-R65 WeakPolarHBondContact O-CB 3.22Å; Q62-R65 PolarHBondContact O-N 3.45Å; L63-R65 PolarHBondContact O-N 2.83Å; L63-R65 VanDerWaalsContact O-N 3.07Å
66M96.2Very high97.8Very high31 Ų3150.3 Ų50.315%0.15324%0.242CC..SBendtrans-96.6147.3-175-51.5-57.7-74.100111.4I27 L54 M57 L63 H64 R68I27-M66 HydrophobicContact CG2-CE 4.19Å; L54-M66 HydrophobicContact CD2-CB 3.46Å; L54-M66 VanDerWaalsContact CD2-CB 3.46Å; L54-M66 HydrophobicContact CD2-CE 3.98Å; L54-M66 HydrophobicContact CD2-CG 3.57Å; M57-M66 HydrophobicContact CB-CG 4.18Å; M57-M66 HydrophobicContact CE-CG 4.27Å; M57-M66 HydrophobicContact CE-SD 3.76Å; M57-M66 HydrophobicContact CG-CG 4.08Å; M57-M66 HydrophobicContact CG-SD 3.94Å; L63-M66 HydrophobicContact CD1-CG 4.49Å; L63-M66 WeakPolarHBondContact O-CB 3.27Å; L63-M66 PolarHBondContact O-N 3.26Å; H64-M66 VanDerWaalsContact C-N 3.26Å; M66-R68 PolarHBondContact O-N 3.4Å
67N95.8Very high97.8Very high86 Ų8653 Ų5346%0.4627%0.265SS..  trans-80.287.3-177.1-169.9-10.3000111.9Q69 E70 I71N67-Q69 PolarHBondContact O-N 2.85Å; N67-Q69 PolarHBondContact OD1-N 3.36Å; N67-E70 HydrophobicContact CB-CB 4.14Å; N67-E70 VanDerWaalsContact CG-CB 3.44Å; N67-E70 VanDerWaalsContact ND2-CB 3.31Å; N67-E70 WeakPolarHBondContact ND2-CB 3.29Å; N67-E70 PolarHBondContact ND2-OE2 2.86Å; N67-E70 PolarHBondContact OD1-N 3.48Å; N67-I71 WeakPolarHBondContact O-CD1 3.22Å; N67-I71 VanDerWaalsContact O-CG1 3.26Å; N67-I71 WeakPolarHBondContact O-CG1 3.45Å; N67-I71 PolarHBondContact O-N 3.35Å
68R96.5Very high97.8Very high126 Ų12653.1 Ų53.148%0.47527%0.265SS..Hα-helixtrans-52.4-50.7179.7177.2177.4175.1-173.7-0.1113.2M66 I71 V72 Y108 S110M66-R68 PolarHBondContact O-N 3.4Å; R68-I71 PolarHBondContact O-N 2.99Å; R68-V72 HydrophobicContact CG-CG2 4.26Å; R68-V72 WeakPolarHBondContact O-CG2 3.44Å; R68-V72 PolarHBondContact O-N 2.81Å; R68-Y108 HydrophobicContact CB-CD1 4.16Å; R68-Y108 HydrophobicContact CB-CE1 3.8Å; R68-Y108 HydrophobicContact CB-CE2 4.36Å; R68-Y108 HydrophobicContact CG-CD1 3.7Å; R68-Y108 HydrophobicContact CG-CD2 4.07Å; R68-Y108 HydrophobicContact CG-CE1 3.87Å; R68-Y108 HydrophobicContact CG-CE2 4.21Å; R68-Y108 HydrophobicContact CG-CG 3.82Å; R68-Y108 VanDerWaalsContact CZ-O 3.32Å; R68-Y108 PolarHBondContact NH2-O 3.13Å; R68-S110 PolarHBondContact NH2-OG 3.1Å
69Q97.1Very high97.8Very high114 Ų11454.5 Ų54.553%0.53327%0.271SS..Hα-helixtrans-63.8-47.7-172-176.159.951.800111.3N67 I71 V72 D73N67-Q69 PolarHBondContact O-N 2.85Å; N67-Q69 PolarHBondContact OD1-N 3.36Å; Q69-I71 VanDerWaalsContact C-N 3.3Å; Q69-I71 PolarHBondContact O-N 2.98Å; Q69-V72 PolarHBondContact O-N 3.01Å; Q69-D73 PolarHBondContact NE2-OD1 3.16Å; Q69-D73 PolarHBondContact NE2-OD2 3.4Å; Q69-D73 WeakPolarHBondContact O-CB 3.24Å; Q69-D73 VanDerWaalsContact O-CG 3.29Å; Q69-D73 PolarHBondContact O-N 3.11Å
70E96.3Very high97.8Very high86 Ų8657.2 Ų57.240%0.40228%0.284SS..Hα-helixtrans-60.5-40.7178.3179.4176.1-173.300112.2K34 N67 D73 F74K34-E70 WeakPolarHBondContact CE-OE1 3.36Å; K34-E70 IonicContact NZ-OE1 2.88Å; K34-E70 PolarHBondContact NZ-OE1 3.32Å; K34-E70 IonicContact NZ-OE2 3.25Å; N67-E70 HydrophobicContact CB-CB 4.14Å; N67-E70 VanDerWaalsContact CG-CB 3.44Å; N67-E70 VanDerWaalsContact ND2-CB 3.31Å; N67-E70 WeakPolarHBondContact ND2-CB 3.29Å; N67-E70 PolarHBondContact ND2-OE2 2.86Å; N67-E70 PolarHBondContact OD1-N 3.48Å; E70-D73 PolarHBondContact O-N 3.27Å; E70-F74 WeakPolarHBondContact O-CB 3.34Å; E70-F74 PolarHBondContact O-N 3.35Å
71I97.6Very high97.8Very high21 Ų2165.2 Ų65.211%0.10832%0.321CS..Hα-helixtrans-69.3-42.7179.9-67.7167.7000111.2I50 L54 N67 R68 Q69 D73 F74 I75 I104 Y108I50-I71 HydrophobicContact CG2-CD1 4.2Å; I50-I71 HydrophobicContact CG2-CG1 4.34Å; I50-I71 HydrophobicContact CG2-CG2 3.71Å; L54-I71 HydrophobicContact CD1-CD1 3.96Å; L54-I71 HydrophobicContact CD1-CG2 4.06Å; L54-I71 HydrophobicContact CD2-CD1 3.77Å; L54-I71 HydrophobicContact CG-CD1 4.24Å; N67-I71 WeakPolarHBondContact O-CD1 3.22Å; N67-I71 VanDerWaalsContact O-CG1 3.26Å; N67-I71 WeakPolarHBondContact O-CG1 3.45Å; N67-I71 PolarHBondContact O-N 3.35Å; R68-I71 PolarHBondContact O-N 2.99Å; Q69-I71 VanDerWaalsContact C-N 3.3Å; Q69-I71 PolarHBondContact O-N 2.98Å; I71-D73 VanDerWaalsContact C-N 3.34Å; I71-D73 PolarHBondContact O-N 3.2Å; I71-F74 WeakPolarHBondContact O-CB 3.28Å; I71-F74 PolarHBondContact O-N 3.46Å; I71-I75 HydrophobicContact CG2-CD1 4.04Å; I71-I75 WeakPolarHBondContact O-CG1 3.36Å; I71-I75 PolarHBondContact O-N 3.35Å; I71-I104 HydrophobicContact CG2-CG2 3.88Å; I71-Y108 HydrophobicContact CB-CE2 4.37Å; I71-Y108 HydrophobicContact CG2-CE2 4.15Å
72V98.6Very high97.8Very high10 Ų1066.7 Ų66.76%0.06132%0.324CS..Hα-helixtrans-62.8-42.8176.4170.30000110.6R68 Q69 F74 I75 K76 L105 Y108 A113R68-V72 HydrophobicContact CG-CG2 4.26Å; R68-V72 WeakPolarHBondContact O-CG2 3.44Å; R68-V72 PolarHBondContact O-N 2.81Å; Q69-V72 PolarHBondContact O-N 3.01Å; V72-F74 VanDerWaalsContact C-N 3.34Å; V72-F74 PolarHBondContact O-N 3.18Å; V72-I75 PolarHBondContact O-N 3.39Å; V72-K76 WeakPolarHBondContact O-CG 3.17Å; V72-K76 PolarHBondContact O-N 2.9Å; V72-L105 HydrophobicContact CG2-CD2 4.24Å; V72-Y108 HydrophobicContact CG2-CD2 4.22Å; V72-A113 HydrophobicContact CG1-CB 3.64Å
73D98.4Very high97.8Very high71 Ų7164.2 Ų64.238%0.3831%0.313SS..Hα-helixtrans-66.6-35.9177.2-67.9-25.8000112.2Q69 E70 I71 K76 A77Q69-D73 PolarHBondContact NE2-OD1 3.16Å; Q69-D73 PolarHBondContact NE2-OD2 3.4Å; Q69-D73 WeakPolarHBondContact O-CB 3.24Å; Q69-D73 VanDerWaalsContact O-CG 3.29Å; Q69-D73 PolarHBondContact O-N 3.11Å; E70-D73 PolarHBondContact O-N 3.27Å; I71-D73 VanDerWaalsContact C-N 3.34Å; I71-D73 PolarHBondContact O-N 3.2Å; D73-K76 WeakPolarHBondContact O-CB 3.28Å; D73-K76 PolarHBondContact O-N 2.96Å; D73-K76 IonicContact OD1-NZ 3.96Å; D73-A77 PolarHBondContact O-N 2.88Å; D73-A77 VanDerWaalsContact O-N 3.07Å
74F98.2Very high97.8Very high36 Ų3663 Ų6316%0.15831%0.306CS..Hα-helixtrans-61.9-45171.8173.5-99.3000112.1R46 M47 I50 E70 I71 V72 K76 A77 C78 I89R46-F74 HydrophobicContact CB-CZ 4.4Å; R46-F74 HydrophobicContact CG-CE1 4.14Å; R46-F74 HydrophobicContact CG-CZ 3.7Å; M47-F74 HydrophobicContact CE-CD1 3.93Å; M47-F74 HydrophobicContact CE-CE1 3.59Å; M47-F74 HydrophobicContact SD-CE1 4.3Å; I50-F74 HydrophobicContact CD1-CD1 3.7Å; I50-F74 HydrophobicContact CD1-CE1 3.59Å; I50-F74 HydrophobicContact CD1-CZ 4.42Å; E70-F74 WeakPolarHBondContact O-CB 3.34Å; E70-F74 PolarHBondContact O-N 3.35Å; I71-F74 WeakPolarHBondContact O-CB 3.28Å; I71-F74 PolarHBondContact O-N 3.46Å; V72-F74 VanDerWaalsContact C-N 3.34Å; V72-F74 PolarHBondContact O-N 3.18Å; F74-K76 VanDerWaalsContact C-N 3.34Å; F74-K76 PolarHBondContact O-N 3.27Å; F74-A77 PolarHBondContact O-N 3.01Å; F74-C78 PolarHBondContact O-N 3.37Å; F74-C78 VanDerWaalsContact O-N 3.11Å; F74-C78 PolarHBondContact O-SG 3.15Å; F74-I89 HydrophobicContact CD2-CD1 4.18Å; F74-I89 HydrophobicContact CD2-CG1 4.27Å; F74-I89 HydrophobicContact CE2-CD1 4.41Å; F74-I89 HydrophobicContact CE2-CG1 4.13Å
75I98.7Very high97.9Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-60.6-44.8177.3-69.6164.7000110.9M47 I71 V72 A77 C78 Q79 A101 I104 L105 I114M47-I75 HydrophobicContact CE-CB 4.35Å; M47-I75 HydrophobicContact CE-CG1 3.76Å; M47-I75 HydrophobicContact SD-CD1 4.39Å; M47-I75 HydrophobicContact SD-CG1 3.7Å; I71-I75 HydrophobicContact CG2-CD1 4.04Å; I71-I75 WeakPolarHBondContact O-CG1 3.36Å; I71-I75 PolarHBondContact O-N 3.35Å; V72-I75 PolarHBondContact O-N 3.39Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 3.14Å; I75-C78 PolarHBondContact O-N 3.45Å; I75-Q79 PolarHBondContact O-N 3.34Å; I75-A101 HydrophobicContact CG2-CB 3.95Å; I75-I104 HydrophobicContact CD1-CB 3.84Å; I75-I104 HydrophobicContact CD1-CD1 4.18Å; I75-I104 HydrophobicContact CD1-CG2 3.46Å; I75-I104 VanDerWaalsContact CD1-CG2 3.46Å; I75-L105 HydrophobicContact CD1-CD2 3.83Å; I75-L105 HydrophobicContact CD1-CG 4.15Å; I75-L105 HydrophobicContact CG2-CD1 4Å; I75-L105 HydrophobicContact CG2-CD2 4.27Å; I75-L105 HydrophobicContact CG2-CG 4.23Å; I75-I114 HydrophobicContact CG2-CG2 3.89Å
76K98.5Very high98Very high91 Ų9151.5 Ų51.540%0.39626%0.257SS..Hα-helixtrans-55.8-45.9175.3-71.5177.8-178.3171.70112V72 D73 F74 C78 Q79 A113V72-K76 WeakPolarHBondContact O-CG 3.17Å; V72-K76 PolarHBondContact O-N 2.9Å; D73-K76 WeakPolarHBondContact O-CB 3.28Å; D73-K76 PolarHBondContact O-N 2.96Å; D73-K76 IonicContact OD1-NZ 3.96Å; F74-K76 VanDerWaalsContact C-N 3.34Å; F74-K76 PolarHBondContact O-N 3.27Å; K76-C78 PolarHBondContact O-N 2.9Å; K76-Q79 PolarHBondContact O-N 3.02Å; K76-A113 HydrophobicContact CD-CB 4.38Å; K76-A113 VanDerWaalsContact CE-CA 3.46Å; K76-A113 VanDerWaalsContact CE-O 3.27Å; K76-A113 WeakPolarHBondContact CE-O 3.43Å; K76-A113 HydrophobicContact CG-CB 4.12Å; K76-A113 VanDerWaalsContact CG-O 3.25Å; K76-A113 WeakPolarHBondContact CG-O 3.43Å
77A98.6Very high98.1Very high58 Ų5850.1 Ų50.148%0.47925%0.25SS..Hα-helixtrans-68.1-19.1179.500000113.5D73 F74 I75 I89D73-A77 PolarHBondContact O-N 2.88Å; D73-A77 VanDerWaalsContact O-N 3.07Å; F74-A77 PolarHBondContact O-N 3.01Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 3.14Å; A77-I89 HydrophobicContact CB-CD1 3.83Å; A77-I89 HydrophobicContact CB-CG1 3.98Å
78C98.8Very high98.2Very high1 Ų146.4 Ų46.41%0.00723%0.231CC..Hα-helixtrans-91.3-6.8177.4-64.50000113.6M47 F74 I75 K76 H80 I85 S86 S88M47-C78 HydrophobicContact CE-CB 3.9Å; F74-C78 PolarHBondContact O-N 3.37Å; F74-C78 VanDerWaalsContact O-N 3.11Å; F74-C78 PolarHBondContact O-SG 3.15Å; I75-C78 PolarHBondContact O-N 3.45Å; K76-C78 PolarHBondContact O-N 2.9Å; C78-H80 PolarHBondContact O-CD2 3.47Å; C78-H80 VanDerWaalsContact O-CD2 3.28Å; C78-I85 HydrophobicContact CB-CG2 3.76Å; C78-I85 WeakPolarHBondContact O-CA 3.32Å; C78-S86 PolarHBondContact O-N 3.3Å; C78-S86 PolarHBondContact O-OG 3.33Å; C78-S88 VanDerWaalsContact SG-C 3.59Å
79Q98.9Very high98.2Very high42 Ų4245.2 Ų45.220%0.19623%0.233CC..BIsolated β-bridgetrans-77.9125175.1-169.6177.630.100110.6I75 K76 G83 I85 D115I75-Q79 PolarHBondContact O-N 3.34Å; K76-Q79 PolarHBondContact O-N 3.02Å; Q79-G83 PolarHBondContact NE2-O 3.31Å; Q79-I85 HydrophobicContact CB-CG1 4.1Å; Q79-I85 HydrophobicContact CG-CG1 4.09Å; Q79-D115 PolarHBondContact NE2-O 3.47Å
80H98.8Very high98.2Very high58 Ų5843.5 Ų43.527%0.26925%0.246SC..  trans-86.3164.7178.8-73.4-109.7000111.9C78 C82 G83 G84 S86 H91 P93C78-H80 PolarHBondContact O-CD2 3.47Å; C78-H80 VanDerWaalsContact O-CD2 3.28Å; H80-C82 PolarHBondContact O-N 3.02Å; H80-C82 VanDerWaalsContact O-N 3.17Å; H80-G83 WeakPolarHBondContact O-CA 3.48Å; H80-G83 PolarHBondContact O-N 2.64Å; H80-G84 WeakPolarHBondContact CB-O 3.48Å; H80-G84 PolarHBondContact N-O 2.84Å; H80-S86 WeakPolarHBondContact NE2-CB 3.48Å; H80-S86 PolarHBondContact NE2-OG 2.86Å; H80-H91 PolarHBondContact CE1-O 3.49Å; H80-H91 PolarHBondContact NE2-O 3.47Å; H80-P93 HydrophobicContact CB-CB 4.32Å; H80-P93 HydrophobicContact CB-CG 4.17Å
81E98.4Very high98.2Very high179 Ų17942 Ų4284%0.83624%0.239SC*.THydrogen-bonded Turntrans-57.4-32.6177.5-67.6-169.7164.500113.1G83 K118E81-G83 PolarHBondContact O-N 2.91Å; E81-K118 PolarHBondContact O-NZ 3.34Å
82C98.3Very high98.3Very high72 Ų7245.2 Ų45.249%0.48626%0.256SS..THydrogen-bonded Turntrans-75.3-2.9176.4690000113.8H80 G84 Y122H80-C82 PolarHBondContact O-N 3.02Å; H80-C82 VanDerWaalsContact O-N 3.17Å; C82-G84 PolarHBondContact O-N 3.29Å; C82-Y122 WeakPolarHBondContact O-CB 3.31Å
83G98.7Very high98.3Very high0 Ų045.5 Ų45.50%026%0.258CS..SBendtrans94.8-28.8176.500000115.9Q79 H80 E81 K118 V119Q79-G83 PolarHBondContact NE2-O 3.31Å; H80-G83 WeakPolarHBondContact O-CA 3.48Å; H80-G83 PolarHBondContact O-N 2.64Å; E81-G83 PolarHBondContact O-N 2.91Å; G83-K118 WeakPolarHBondContact CA-O 3.4Å; G83-V119 WeakPolarHBondContact O-CG2 3.28Å
84G98.8Very high98.3Very high0 Ų043.2 Ų43.20%025%0.245CC..  trans-64152.5175.300000112.3H80 C82 P93 Y122H80-G84 WeakPolarHBondContact CB-O 3.48Å; H80-G84 PolarHBondContact N-O 2.84Å; C82-G84 PolarHBondContact O-N 3.29Å; G84-P93 VanDerWaalsContact C-CB 3.45Å; G84-Y122 VanDerWaalsContact CA-CD1 3.42Å; G84-Y122 VanDerWaalsContact CA-CG 3.41Å; G84-Y122 VanDerWaalsContact N-CG 3.34Å
85I98.9Very high98.4Very high0 Ų041.5 Ų41.50%024%0.238CC..BIsolated β-bridgetrans-113.3136.8-177.6-57.2171.6000109M47 C78 Q79 H94 T98 A101 I114 V119M47-I85 HydrophobicContact CE-CG2 3.94Å; C78-I85 HydrophobicContact CB-CG2 3.76Å; C78-I85 WeakPolarHBondContact O-CA 3.32Å; Q79-I85 HydrophobicContact CB-CG1 4.1Å; Q79-I85 HydrophobicContact CG-CG1 4.09Å; I85-H94 PolarHBondContact O-N 2.84Å; I85-H94 VanDerWaalsContact O-N 3.13Å; I85-T98 PolarHBondContact N-OG1 3.31Å; I85-T98 PolarHBondContact O-OG1 2.79Å; I85-A101 HydrophobicContact CB-CB 4.29Å; I85-A101 HydrophobicContact CD1-CB 3.56Å; I85-A101 HydrophobicContact CG2-CB 3.84Å; I85-I114 HydrophobicContact CD1-CD1 3.88Å; I85-V119 HydrophobicContact CD1-CG2 4.36Å
86S98.8Very high98.4Very high0 Ų044 Ų440%025%0.251CS..BIsolated β-bridgetrans-91.1167.9178.957.20000112.7C78 H80 S88 H91 D92C78-S86 PolarHBondContact O-N 3.3Å; C78-S86 PolarHBondContact O-OG 3.33Å; H80-S86 WeakPolarHBondContact NE2-CB 3.48Å; H80-S86 PolarHBondContact NE2-OG 2.86Å; S86-S88 VanDerWaalsContact C-N 3.32Å; S86-S88 PolarHBondContact OG-O 2.86Å; S86-H91 WeakPolarHBondContact CB-O 3.37Å; S86-H91 PolarHBondContact OG-O 3.37Å; S86-D92 WeakPolarHBondContact CA-O 3.44Å; S86-D92 WeakPolarHBondContact CB-O 3.35Å
87A98.1Very high98.4Very high1 Ų141.5 Ų41.51%0.00824%0.239CC..SBendtrans-64.1-38.8175.500000112.6Y44 R46 M47 Y97Y44-A87 VanDerWaalsContact C-CB 3.41Å; Y44-A87 WeakPolarHBondContact O-CB 3.47Å; R46-A87 WeakPolarHBondContact CB-O 3.25Å; M47-A87 WeakPolarHBondContact CB-O 3.44Å; M47-A87 PolarHBondContact N-O 3.16Å; A87-Y97 HydrophobicContact CB-CD1 3.79Å; A87-Y97 HydrophobicContact CB-CD2 3.72Å; A87-Y97 HydrophobicContact CB-CE1 3.77Å; A87-Y97 HydrophobicContact CB-CE2 3.7Å; A87-Y97 HydrophobicContact CB-CG 3.78Å; A87-Y97 VanDerWaalsContact N-CD2 3.27Å
88S97.8Very high98.4Very high9 Ų938.7 Ų38.76%0.06322%0.216CC..SBendtrans-148.5169.3-179-169.90000110.5E43 C78 S86 G90 H91E43-S88 WeakPolarHBondContact CG-OG 3.18Å; C78-S88 VanDerWaalsContact SG-C 3.59Å; S86-S88 VanDerWaalsContact C-N 3.32Å; S86-S88 PolarHBondContact OG-O 2.86Å; S88-G90 PolarHBondContact O-N 3.41Å; S88-H91 WeakPolarHBondContact O-CB 3.44Å; S88-H91 PolarHBondContact O-N 2.86Å
89I96.8Very high98.4Very high100 Ų10039.2 Ų39.251%0.51322%0.219SC..THydrogen-bonded Turntrans-62.3128.3176.8-59.8172.1000108.8F74 A77 H91F74-I89 HydrophobicContact CD2-CD1 4.18Å; F74-I89 HydrophobicContact CD2-CG1 4.27Å; F74-I89 HydrophobicContact CE2-CD1 4.41Å; F74-I89 HydrophobicContact CE2-CG1 4.13Å; A77-I89 HydrophobicContact CB-CD1 3.83Å; A77-I89 HydrophobicContact CB-CG1 3.98Å; I89-H91 VanDerWaalsContact C-N 3.33Å
90G95.8Very high98.4Very high78 Ų7837.5 Ų37.580%0.80421%0.212SC*.THydrogen-bonded Turntrans84.9-1.8-179.300000115.4S88S88-G90 PolarHBondContact O-N 3.41Å
91H98.1Very high98.4Very high55 Ų5534.8 Ų34.826%0.25520%0.199SC..SBendtrans-91.1163.2172-69.9-127.5000111.1E43 H80 S86 S88 I89E43-H91 IonicContact OE1-CD2 2.74Å; E43-H91 IonicContact OE1-CE1 3.3Å; E43-H91 IonicContact OE1-NE2 3.09Å; E43-H91 PolarHBondContact OE1-NE2 2.88Å; H80-H91 PolarHBondContact CE1-O 3.49Å; H80-H91 PolarHBondContact NE2-O 3.47Å; S86-H91 WeakPolarHBondContact CB-O 3.37Å; S86-H91 PolarHBondContact OG-O 3.37Å; S88-H91 WeakPolarHBondContact O-CB 3.44Å; S88-H91 PolarHBondContact O-N 2.86Å; I89-H91 VanDerWaalsContact C-N 3.33Å
92D98.6Very high98.4Very high88 Ų8826.2 Ų26.247%0.47116%0.159SC..PPolyproline II helixtrans-74.3147.5178.6-83.9-3.7000112.2S86S86-D92 WeakPolarHBondContact CA-O 3.44Å; S86-D92 WeakPolarHBondContact CB-O 3.35Å
93P98.8Very high98.5Very high16 Ų1623.1 Ų23.110%0.10414%0.138CC..BIsolated β-bridgetrans-74.2143.2178.230.5-33.1000111.7H80 G84 Y122H80-P93 HydrophobicContact CB-CB 4.32Å; H80-P93 HydrophobicContact CB-CG 4.17Å; G84-P93 VanDerWaalsContact C-CB 3.45Å; P93-Y122 VanDerWaalsContact C-OH 3.3Å; P93-Y122 HydrophobicContact CB-CE2 4.41Å; P93-Y122 HydrophobicContact CG-CE2 4.45Å; P93-Y122 PolarHBondContact O-OH 3.02Å
94H98.9Very high98.5Very high23 Ų2323.1 Ų23.111%0.10614%0.138CC..  trans-149.7150.5-179-163.8-57.8000111.2I85 L96 Y97 T98 Y122 G135 D136 F145I85-H94 PolarHBondContact O-N 2.84Å; I85-H94 VanDerWaalsContact O-N 3.13Å; H94-L96 VanDerWaalsContact C-N 3.26Å; H94-L96 PolarHBondContact ND1-N 2.98Å; H94-L96 PolarHBondContact O-N 3.3Å; H94-Y97 HydrophobicContact CB-CD2 3.67Å; H94-Y97 HydrophobicContact CB-CE2 3.86Å; H94-Y97 PolarHBondContact O-N 3.17Å; H94-T98 WeakPolarHBondContact O-CB 3.44Å; H94-T98 PolarHBondContact O-N 3.06Å; H94-T98 PolarHBondContact O-OG1 3.47Å; H94-Y122 VanDerWaalsContact CA-OH 3.3Å; H94-Y122 WeakPolarHBondContact CA-OH 3.47Å; H94-Y122 PolarHBondContact N-OH 3.25Å; H94-G135 WeakPolarHBondContact CE1-CA 3.21Å; H94-G135 PolarHBondContact CE1-O 3.49Å; H94-G135 PolarHBondContact ND1-O 3.11Å; H94-G135 VanDerWaalsContact ND1-O 3.09Å; H94-D136 IonicContact CD2-OD2 3.76Å; H94-F145 AromaticContact CE1-CD1 4Å; H94-F145 AromaticContact CE1-CE1 3.42Å; H94-F145 VanDerWaalsContact CE1-CE1 3.42Å; H94-F145 WeakPolarHBondContact CE1-CE1 3.15Å; H94-F145 AromaticContact CE1-CZ 3.67Å
95L98.8Very high98.5Very high0 Ų023.1 Ų23.10%014%0.138CC..Hα-helixtrans-54.4-34.2175.4-83.6178.3000115.2T98 L99 Y122 V123 L126 F133 A134 G135 F145 C148 A149L95-T98 PolarHBondContact O-N 2.7Å; L95-L99 PolarHBondContact O-N 3.38Å; L95-Y122 HydrophobicContact CD2-CE1 4.35Å; L95-Y122 HydrophobicContact CG-CE1 4.5Å; L95-V123 HydrophobicContact CD2-CB 4.35Å; L95-V123 HydrophobicContact CD2-CG1 4.27Å; L95-V123 HydrophobicContact CD2-CG2 3.77Å; L95-L126 HydrophobicContact CD1-CB 4.44Å; L95-L126 HydrophobicContact CD1-CD1 3.85Å; L95-L126 HydrophobicContact CD2-CD1 4.04Å; L95-L126 HydrophobicContact CG-CD1 3.55Å; L95-F133 HydrophobicContact CD1-CB 4.3Å; L95-A134 WeakPolarHBondContact CD1-O 3.36Å; L95-G135 PolarHBondContact N-O 3.33Å; L95-F145 HydrophobicContact CD1-CB 3.99Å; L95-C148 HydrophobicContact CB-CB 4.09Å; L95-A149 HydrophobicContact CD1-CB 4.45Å
96L98.9Very high98.5Very high52 Ų5223.2 Ų23.227%0.27214%0.138SC..Hα-helixtrans-60.4-50179-69.5171000110.9H94 L99 S100 F145H94-L96 VanDerWaalsContact C-N 3.26Å; H94-L96 PolarHBondContact ND1-N 2.98Å; H94-L96 PolarHBondContact O-N 3.3Å; L96-L99 PolarHBondContact O-N 3.24Å; L96-S100 PolarHBondContact O-N 3.47Å; L96-S100 VanDerWaalsContact O-N 3.08Å; L96-S100 PolarHBondContact O-OG 2.97Å; L96-F145 HydrophobicContact CD1-CE1 4.26Å; L96-F145 HydrophobicContact CD2-CE1 4.26Å; L96-F145 HydrophobicContact CG-CE1 4.08Å
97Y98.9Very high98.5Very high39 Ų3923.5 Ų23.515%0.15314%0.14CC..Hα-helixtrans-78.9-28.1-176.9-45.1-51.5000111.8Y44 M47 A87 H94 S100 A101Y44-Y97 VanDerWaalsContact O-CZ 3.24Å; Y44-Y97 PolarHBondContact O-OH 3.09Å; M47-Y97 HydrophobicContact CB-CD1 4.37Å; M47-Y97 WeakPolarHBondContact CG-O 3.48Å; A87-Y97 HydrophobicContact CB-CD1 3.79Å; A87-Y97 HydrophobicContact CB-CD2 3.72Å; A87-Y97 HydrophobicContact CB-CE1 3.77Å; A87-Y97 HydrophobicContact CB-CE2 3.7Å; A87-Y97 HydrophobicContact CB-CG 3.78Å; A87-Y97 VanDerWaalsContact N-CD2 3.27Å; H94-Y97 HydrophobicContact CB-CD2 3.67Å; H94-Y97 HydrophobicContact CB-CE2 3.86Å; H94-Y97 PolarHBondContact O-N 3.17Å; Y97-S100 PolarHBondContact O-N 3.29Å; Y97-A101 VanDerWaalsContact O-CB 3.28Å; Y97-A101 WeakPolarHBondContact O-CB 3.46Å; Y97-A101 PolarHBondContact O-N 3.49Å
98T98.9Very high98.5Very high0 Ų024.3 Ų24.30%014%0.142CC..Hα-helixtrans-62-46.8170.4-55.10000111.1I85 H94 L95 A101 V102 V119 T152I85-T98 PolarHBondContact N-OG1 3.31Å; I85-T98 PolarHBondContact O-OG1 2.79Å; H94-T98 WeakPolarHBondContact O-CB 3.44Å; H94-T98 PolarHBondContact O-N 3.06Å; H94-T98 PolarHBondContact O-OG1 3.47Å; L95-T98 PolarHBondContact O-N 2.7Å; T98-A101 PolarHBondContact O-N 3.27Å; T98-V102 WeakPolarHBondContact O-CG2 3.5Å; T98-V102 PolarHBondContact O-N 3.11Å; T98-V119 HydrophobicContact CG2-CG1 3.68Å; T98-T152 HydrophobicContact CG2-CG2 4.35Å
99L98.9Very high98.5Very high11 Ų1128.9 Ų28.96%0.05817%0.166CC..Hα-helixtrans-59.8-51.8172.8174.565.7000110.9L95 L96 A101 V102 Q103 F147 C148 A151 T152 L155L95-L99 PolarHBondContact O-N 3.38Å; L96-L99 PolarHBondContact O-N 3.24Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.05Å; L99-V102 PolarHBondContact O-N 3.08Å; L99-V102 VanDerWaalsContact O-N 3.15Å; L99-Q103 HydrophobicContact CD1-CG 3.95Å; L99-Q103 HydrophobicContact CG-CG 4.22Å; L99-Q103 VanDerWaalsContact O-CG 3.32Å; L99-Q103 WeakPolarHBondContact O-CG 3.35Å; L99-Q103 PolarHBondContact O-N 3.39Å; L99-F147 HydrophobicContact CD2-CD1 4.48Å; L99-F147 HydrophobicContact CD2-CE1 4.07Å; L99-C148 HydrophobicContact CB-CB 4.27Å; L99-C148 HydrophobicContact CD2-CB 4.3Å; L99-A151 HydrophobicContact CD1-CB 3.62Å; L99-A151 HydrophobicContact CD2-CB 4.34Å; L99-T152 WeakPolarHBondContact CA-OG1 3.21Å; L99-L155 HydrophobicContact CD1-CD1 4.41Å
100S98.9Very high98.6Very high7 Ų724.5 Ų24.55%0.04914%0.144CC..Hα-helixtrans-56.3-42.7-178.8-65.30000112.3S48 L96 Y97 Q103 I104S48-S100 WeakPolarHBondContact CA-OG 3.46Å; S48-S100 PolarHBondContact OG-OG 3.41Å; L96-S100 PolarHBondContact O-N 3.47Å; L96-S100 VanDerWaalsContact O-N 3.08Å; L96-S100 PolarHBondContact O-OG 2.97Å; Y97-S100 PolarHBondContact O-N 3.29Å; S100-Q103 PolarHBondContact O-N 3.09Å; S100-I104 WeakPolarHBondContact O-CD1 3.33Å; S100-I104 VanDerWaalsContact O-CG1 3.23Å; S100-I104 WeakPolarHBondContact O-CG1 3.34Å; S100-I104 PolarHBondContact O-N 3.03Å
101A98.9Very high98.7Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-63-47176.600000112.2M47 I75 I85 Y97 T98 L99 Q103 I104 L105M47-A101 HydrophobicContact CE-CB 4.3Å; M47-A101 HydrophobicContact CG-CB 4.1Å; M47-A101 HydrophobicContact SD-CB 3.9Å; I75-A101 HydrophobicContact CG2-CB 3.95Å; I85-A101 HydrophobicContact CB-CB 4.29Å; I85-A101 HydrophobicContact CD1-CB 3.56Å; I85-A101 HydrophobicContact CG2-CB 3.84Å; Y97-A101 VanDerWaalsContact O-CB 3.28Å; Y97-A101 WeakPolarHBondContact O-CB 3.46Å; Y97-A101 PolarHBondContact O-N 3.49Å; T98-A101 PolarHBondContact O-N 3.27Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.05Å; A101-Q103 VanDerWaalsContact C-N 3.33Å; A101-Q103 PolarHBondContact O-N 3.35Å; A101-I104 PolarHBondContact O-N 3.49Å; A101-L105 WeakPolarHBondContact O-CG 3.36Å; A101-L105 PolarHBondContact O-N 2.75Å
102V98.9Very high98.7Very high0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-62.1-41.7177.7169.80000111.1T98 L99 I104 L105 C106 L111 I114 V119 T152 L155 L156T98-V102 WeakPolarHBondContact O-CG2 3.5Å; T98-V102 PolarHBondContact O-N 3.11Å; L99-V102 PolarHBondContact O-N 3.08Å; L99-V102 VanDerWaalsContact O-N 3.15Å; V102-I104 PolarHBondContact O-N 3.22Å; V102-L105 PolarHBondContact O-N 2.9Å; V102-C106 PolarHBondContact O-N 3.09Å; V102-C106 PolarHBondContact O-SG 2.88Å; V102-L111 HydrophobicContact CG1-CD2 4.15Å; V102-I114 HydrophobicContact CG2-CD1 4.41Å; V102-V119 HydrophobicContact CG2-CG1 4.4Å; V102-T152 HydrophobicContact CB-CG2 4.46Å; V102-T152 HydrophobicContact CG2-CG2 4.02Å; V102-L155 HydrophobicContact CG1-CB 3.86Å; V102-L155 HydrophobicContact CG1-CD1 4.09Å; V102-L156 HydrophobicContact CG1-CD2 3.99Å; V102-L156 HydrophobicContact CG1-CG 4.15Å; V102-L156 HydrophobicContact CG2-CD2 4.48Å
103Q98.9Very high98.7Very high7 Ų723.6 Ų23.63%0.03313%0.125CC..Hα-helixtrans-59.2-46174.5-68.5178.1-67.400111.8Y51 L99 S100 A101 L105 C106 L107 L155 L313 M315Y51-Q103 HydrophobicContact CD2-CB 3.62Å; Y51-Q103 HydrophobicContact CD2-CG 4.42Å; Y51-Q103 HydrophobicContact CE2-CB 3.65Å; Y51-Q103 HydrophobicContact CE2-CG 4.1Å; Y51-Q103 PolarHBondContact OH-NE2 3.13Å; Y51-Q103 VanDerWaalsContact OH-NE2 3.15Å; L99-Q103 HydrophobicContact CD1-CG 3.95Å; L99-Q103 HydrophobicContact CG-CG 4.22Å; L99-Q103 VanDerWaalsContact O-CG 3.32Å; L99-Q103 WeakPolarHBondContact O-CG 3.35Å; L99-Q103 PolarHBondContact O-N 3.39Å; S100-Q103 PolarHBondContact O-N 3.09Å; A101-Q103 VanDerWaalsContact C-N 3.33Å; A101-Q103 PolarHBondContact O-N 3.35Å; Q103-L105 PolarHBondContact O-N 3.27Å; Q103-C106 WeakPolarHBondContact O-CB 3.47Å; Q103-C106 PolarHBondContact O-N 3.33Å; Q103-L107 WeakPolarHBondContact O-CG 3.24Å; Q103-L107 PolarHBondContact O-N 3.47Å; Q103-L155 HydrophobicContact CG-CD1 3.8Å; Q103-L313 PolarHBondContact NE2-O 3.06Å; Q103-M315 HydrophobicContact CB-CE 4.31Å; Q103-M315 HydrophobicContact CB-SD 3.87Å; Q103-M315 HydrophobicContact CG-SD 3.72Å; Q103-M315 WeakPolarHBondContact O-CE 3.31Å
104I98.9Very high98.6Very high0 Ų023.5 Ų23.50%012%0.124CC..Hα-helixtrans-60.8-44.9177-66.4158.7000111.3M47 I50 L54 I71 I75 S100 A101 V102 C106 L107 Y108M47-I104 HydrophobicContact SD-CD1 3.8Å; I50-I104 HydrophobicContact CB-CD1 4.07Å; I50-I104 HydrophobicContact CG2-CD1 3.73Å; I50-I104 HydrophobicContact CG2-CG1 4.44Å; L54-I104 HydrophobicContact CD1-CB 4.45Å; L54-I104 HydrophobicContact CD1-CG1 4.24Å; L54-I104 HydrophobicContact CD1-CG2 3.52Å; I71-I104 HydrophobicContact CG2-CG2 3.88Å; I75-I104 HydrophobicContact CD1-CB 3.84Å; I75-I104 HydrophobicContact CD1-CD1 4.18Å; I75-I104 HydrophobicContact CD1-CG2 3.46Å; I75-I104 VanDerWaalsContact CD1-CG2 3.46Å; S100-I104 WeakPolarHBondContact O-CD1 3.33Å; S100-I104 VanDerWaalsContact O-CG1 3.23Å; S100-I104 WeakPolarHBondContact O-CG1 3.34Å; S100-I104 PolarHBondContact O-N 3.03Å; A101-I104 PolarHBondContact O-N 3.49Å; V102-I104 PolarHBondContact O-N 3.22Å; I104-C106 VanDerWaalsContact C-N 3.29Å; I104-C106 PolarHBondContact O-N 3.25Å; I104-L107 WeakPolarHBondContact O-CB 3.42Å; I104-L107 PolarHBondContact O-N 2.68Å; I104-Y108 HydrophobicContact CG2-CD2 3.93Å; I104-Y108 HydrophobicContact CG2-CE2 4.03Å; I104-Y108 PolarHBondContact O-N 3.41Å; I104-Y108 VanDerWaalsContact O-N 3.1Å
105L98.8Very high98.6Very high0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-67.3-31.4179.3-65.7-179.9000112.1V72 I75 A101 V102 Q103 Y108 D109 S110 L111 A113 I114V72-L105 HydrophobicContact CG2-CD2 4.24Å; I75-L105 HydrophobicContact CD1-CD2 3.83Å; I75-L105 HydrophobicContact CD1-CG 4.15Å; I75-L105 HydrophobicContact CG2-CD1 4Å; I75-L105 HydrophobicContact CG2-CD2 4.27Å; I75-L105 HydrophobicContact CG2-CG 4.23Å; A101-L105 WeakPolarHBondContact O-CG 3.36Å; A101-L105 PolarHBondContact O-N 2.75Å; V102-L105 PolarHBondContact O-N 2.9Å; Q103-L105 PolarHBondContact O-N 3.27Å; L105-Y108 PolarHBondContact O-N 3.44Å; L105-D109 WeakPolarHBondContact O-CA 3.45Å; L105-D109 PolarHBondContact O-N 2.96Å; L105-S110 WeakPolarHBondContact CD2-O 3.37Å; L105-S110 PolarHBondContact O-N 3.24Å; L105-L111 HydrophobicContact CB-CD2 3.76Å; L105-L111 HydrophobicContact CB-CG 4.28Å; L105-L111 HydrophobicContact CD1-CD2 4.43Å; L105-A113 HydrophobicContact CD1-CB 4.44Å; L105-A113 HydrophobicContact CD2-CB 4.07Å; L105-I114 HydrophobicContact CD1-CB 4.34Å; L105-I114 HydrophobicContact CD1-CD1 3.54Å; L105-I114 HydrophobicContact CD1-CG1 3.62Å; L105-I114 HydrophobicContact CD1-CG2 3.86Å
106C98.8Very high98.6Very high1 Ų127.3 Ų27.31%0.00715%0.146CC..Hα-helixtrans-66-43.1169.7-71.60000112.1V102 Q103 I104 Y108 D109 M315 V319 R322V102-C106 PolarHBondContact O-N 3.09Å; V102-C106 PolarHBondContact O-SG 2.88Å; Q103-C106 WeakPolarHBondContact O-CB 3.47Å; Q103-C106 PolarHBondContact O-N 3.33Å; I104-C106 VanDerWaalsContact C-N 3.29Å; I104-C106 PolarHBondContact O-N 3.25Å; C106-Y108 VanDerWaalsContact C-N 3.25Å; C106-Y108 PolarHBondContact O-N 2.86Å; C106-D109 PolarHBondContact O-N 3.31Å; C106-M315 HydrophobicContact CB-CE 3.86Å; C106-V319 HydrophobicContact CB-CG1 4.27Å; C106-R322 PolarHBondContact O-NH2 3.21Å
107L98.7Very high98.6Very high7 Ų729.9 Ų29.94%0.03716%0.16CC..Hα-helixtrans-54.7-44.6174.7-67.2175.7000110.8L54 Q103 I104 M315 P316 V319 R322L54-L107 HydrophobicContact CB-CD1 3.9Å; Q103-L107 WeakPolarHBondContact O-CG 3.24Å; Q103-L107 PolarHBondContact O-N 3.47Å; I104-L107 WeakPolarHBondContact O-CB 3.42Å; I104-L107 PolarHBondContact O-N 2.68Å; L107-M315 HydrophobicContact CD2-CE 3.9Å; L107-M315 HydrophobicContact CG-CE 4.11Å; L107-P316 HydrophobicContact CD2-CG 4.34Å; L107-V319 HydrophobicContact CD2-CG1 4.39Å; L107-V319 HydrophobicContact CD2-CG2 4Å; L107-R322 PolarHBondContact O-NH2 2.98Å
108Y98.6Very high98.6Very high17 Ų1732.1 Ų32.17%0.06717%0.171CC..Hα-helixtrans-86.2-4.9-178.7-74.1-45.2000116L54 L63 R68 I71 V72 I104 L105 C106 S110L54-Y108 HydrophobicContact CD1-CD2 4.38Å; L54-Y108 HydrophobicContact CD1-CE2 3.43Å; L54-Y108 VanDerWaalsContact CD1-CE2 3.43Å; L54-Y108 VanDerWaalsContact CD2-OH 3.23Å; L54-Y108 WeakPolarHBondContact CD2-OH 3.32Å; L63-Y108 HydrophobicContact CD1-CE1 3.88Å; L63-Y108 HydrophobicContact CD2-CD1 4.19Å; L63-Y108 HydrophobicContact CD2-CE1 3.96Å; L63-Y108 HydrophobicContact CG-CE1 3.92Å; R68-Y108 HydrophobicContact CB-CD1 4.16Å; R68-Y108 HydrophobicContact CB-CE1 3.8Å; R68-Y108 HydrophobicContact CB-CE2 4.36Å; R68-Y108 HydrophobicContact CG-CD1 3.7Å; R68-Y108 HydrophobicContact CG-CD2 4.07Å; R68-Y108 HydrophobicContact CG-CE1 3.87Å; R68-Y108 HydrophobicContact CG-CE2 4.21Å; R68-Y108 HydrophobicContact CG-CG 3.82Å; R68-Y108 VanDerWaalsContact CZ-O 3.32Å; R68-Y108 PolarHBondContact NH2-O 3.13Å; I71-Y108 HydrophobicContact CB-CE2 4.37Å; I71-Y108 HydrophobicContact CG2-CE2 4.15Å; V72-Y108 HydrophobicContact CG2-CD2 4.22Å; I104-Y108 HydrophobicContact CG2-CD2 3.93Å; I104-Y108 HydrophobicContact CG2-CE2 4.03Å; I104-Y108 PolarHBondContact O-N 3.41Å; I104-Y108 VanDerWaalsContact O-N 3.1Å; L105-Y108 PolarHBondContact O-N 3.44Å; C106-Y108 VanDerWaalsContact C-N 3.25Å; C106-Y108 PolarHBondContact O-N 2.86Å; Y108-S110 PolarHBondContact O-OG 3Å; Y108-S110 VanDerWaalsContact O-OG 3.13Å
109D98.2Very high98.6Very high105 Ų10532.1 Ų32.156%0.56117%0.171SC*.THydrogen-bonded Turntrans52.258.4-171.9-166.934.3000111.1L105 C106L105-D109 WeakPolarHBondContact O-CA 3.45Å; L105-D109 PolarHBondContact O-N 2.96Å; C106-D109 PolarHBondContact O-N 3.31Å
110S98.4Very high98.6Very high8 Ų831.9 Ų31.96%0.05617%0.17CC..  trans-144.335.7-172.5-56.20000112.8R68 L105 Y108 D112 A113R68-S110 PolarHBondContact NH2-OG 3.1Å; L105-S110 WeakPolarHBondContact CD2-O 3.37Å; L105-S110 PolarHBondContact O-N 3.24Å; Y108-S110 PolarHBondContact O-OG 3Å; Y108-S110 VanDerWaalsContact O-OG 3.13Å; S110-D112 VanDerWaalsContact C-OD1 3.25Å; S110-D112 WeakPolarHBondContact CA-OD1 3.4Å; S110-D112 PolarHBondContact O-N 2.91Å; S110-A113 WeakPolarHBondContact O-CB 3.35Å; S110-A113 PolarHBondContact O-N 3.43Å
111L98Very high98.6Very high39 Ų3936.9 Ų36.920%0.20419%0.193CC..G310 helixtrans-61.9-24.3178.3-74.6170.1000112.9V102 L105 A113 I114 L156V102-L111 HydrophobicContact CG1-CD2 4.15Å; L105-L111 HydrophobicContact CB-CD2 3.76Å; L105-L111 HydrophobicContact CB-CG 4.28Å; L105-L111 HydrophobicContact CD1-CD2 4.43Å; L111-A113 PolarHBondContact O-N 3.05Å; L111-A113 VanDerWaalsContact O-N 3.14Å; L111-I114 WeakPolarHBondContact O-CG1 3.33Å; L111-I114 PolarHBondContact O-N 3.1Å; L111-L156 HydrophobicContact CD1-CD2 4.15Å; L111-L156 HydrophobicContact CD2-CD2 3.78Å
112D97.5Very high98.6Very high144 Ų14438 Ų3877%0.7720%0.197SC*.G310 helixtrans-64.5-10.3173.667.3-46000113.7S110 I114S110-D112 VanDerWaalsContact C-OD1 3.25Å; S110-D112 WeakPolarHBondContact CA-OD1 3.4Å; S110-D112 PolarHBondContact O-N 2.91Å; D112-I114 VanDerWaalsContact C-N 3.26Å; D112-I114 PolarHBondContact O-N 2.91Å
113A98Very high98.6Very high19 Ų1938 Ų3816%0.15720%0.197CC..G310 helixtrans-62.8-31.9173.900000113.1V72 K76 L105 S110 L111V72-A113 HydrophobicContact CG1-CB 3.64Å; K76-A113 HydrophobicContact CD-CB 4.38Å; K76-A113 VanDerWaalsContact CE-CA 3.46Å; K76-A113 VanDerWaalsContact CE-O 3.27Å; K76-A113 WeakPolarHBondContact CE-O 3.43Å; K76-A113 HydrophobicContact CG-CB 4.12Å; K76-A113 VanDerWaalsContact CG-O 3.25Å; K76-A113 WeakPolarHBondContact CG-O 3.43Å; L105-A113 HydrophobicContact CD1-CB 4.44Å; L105-A113 HydrophobicContact CD2-CB 4.07Å; S110-A113 WeakPolarHBondContact O-CB 3.35Å; S110-A113 PolarHBondContact O-N 3.43Å; L111-A113 PolarHBondContact O-N 3.05Å; L111-A113 VanDerWaalsContact O-N 3.14Å
114I98.7Very high98.6Very high14 Ų1441.9 Ų41.97%0.07221%0.214CC..SBendtrans-118.1162.4-173.360.3170.9000111.2I75 I85 V102 L105 L111 D112 V116 V119I75-I114 HydrophobicContact CG2-CG2 3.89Å; I85-I114 HydrophobicContact CD1-CD1 3.88Å; V102-I114 HydrophobicContact CG2-CD1 4.41Å; L105-I114 HydrophobicContact CD1-CB 4.34Å; L105-I114 HydrophobicContact CD1-CD1 3.54Å; L105-I114 HydrophobicContact CD1-CG1 3.62Å; L105-I114 HydrophobicContact CD1-CG2 3.86Å; L111-I114 WeakPolarHBondContact O-CG1 3.33Å; L111-I114 PolarHBondContact O-N 3.1Å; D112-I114 VanDerWaalsContact C-N 3.26Å; D112-I114 PolarHBondContact O-N 2.91Å; I114-V116 HydrophobicContact CG1-CG2 4.28Å; I114-V116 PolarHBondContact O-N 3.44Å; I114-V119 HydrophobicContact CD1-CG2 3.86Å
115D98.8Very high98.6Very high69 Ų6944.9 Ų44.937%0.36924%0.244SC..  trans-76.392.6170.7-171.3-28.5000109.5Q79 D117 K118 V119Q79-D115 PolarHBondContact NE2-O 3.47Å; D115-D117 VanDerWaalsContact C-N 3.33Å; D115-D117 PolarHBondContact O-N 3.13Å; D115-D117 PolarHBondContact OD1-N 3.25Å; D115-K118 HydrophobicContact CB-CB 4.11Å; D115-K118 HydrophobicContact CB-CD 4.14Å; D115-K118 HydrophobicContact CB-CG 4.25Å; D115-K118 VanDerWaalsContact CG-CG 3.45Å; D115-K118 PolarHBondContact O-N 2.88Å; D115-K118 PolarHBondContact OD1-N 2.66Å; D115-K118 VanDerWaalsContact OD2-CD 3.24Å; D115-K118 WeakPolarHBondContact OD2-CD 3.2Å; D115-K118 WeakPolarHBondContact OD2-CE 3.44Å; D115-K118 VanDerWaalsContact OD2-CG 3.32Å; D115-K118 WeakPolarHBondContact OD2-CG 3.36Å; D115-V119 PolarHBondContact O-N 3.49Å; D115-V119 VanDerWaalsContact O-N 3.15Å
116V98.8Very high98.6Very high34 Ų3445.5 Ų45.521%0.20625%0.247CC..Hα-helixtrans-62.3-39-178170.30000111.9I114 K118 V119 V120 L156I114-V116 HydrophobicContact CG1-CG2 4.28Å; I114-V116 PolarHBondContact O-N 3.44Å; V116-K118 VanDerWaalsContact C-N 3.28Å; V116-K118 PolarHBondContact O-N 3.46Å; V116-V119 WeakPolarHBondContact O-CB 3.27Å; V116-V119 PolarHBondContact O-N 2.9Å; V116-V119 VanDerWaalsContact O-N 3.11Å; V116-V120 HydrophobicContact CG1-CG2 4.44Å; V116-V120 WeakPolarHBondContact O-CG2 3.23Å; V116-V120 PolarHBondContact O-N 3.33Å; V116-L156 HydrophobicContact CG1-CD1 4.17Å; V116-L156 HydrophobicContact CG1-CD2 3.92Å; V116-L156 HydrophobicContact CG1-CG 4.42Å; V116-L156 HydrophobicContact CG2-CD2 4.32Å
117D98.8Very high98.6Very high106 Ų10647.2 Ų47.257%0.56726%0.255SS*.Hα-helixtrans-64.7-37.7-179.3-71.7-26.5000110.5D115 V120 E121D115-D117 VanDerWaalsContact C-N 3.33Å; D115-D117 PolarHBondContact O-N 3.13Å; D115-D117 PolarHBondContact OD1-N 3.25Å; D117-V120 WeakPolarHBondContact O-CB 3.34Å; D117-V120 PolarHBondContact O-N 2.96Å; D117-E121 PolarHBondContact O-N 3.04Å
118K98.8Very high98.6Very high86 Ų8650.8 Ų50.837%0.37427%0.272SS..Hα-helixtrans-67-36.9171.8-74.5-173178.1-1620113.7E81 G83 D115 V116 V120 E121 Y122E81-K118 PolarHBondContact O-NZ 3.34Å; G83-K118 WeakPolarHBondContact CA-O 3.4Å; D115-K118 HydrophobicContact CB-CB 4.11Å; D115-K118 HydrophobicContact CB-CD 4.14Å; D115-K118 HydrophobicContact CB-CG 4.25Å; D115-K118 VanDerWaalsContact CG-CG 3.45Å; D115-K118 PolarHBondContact O-N 2.88Å; D115-K118 PolarHBondContact OD1-N 2.66Å; D115-K118 VanDerWaalsContact OD2-CD 3.24Å; D115-K118 WeakPolarHBondContact OD2-CD 3.2Å; D115-K118 WeakPolarHBondContact OD2-CE 3.44Å; D115-K118 VanDerWaalsContact OD2-CG 3.32Å; D115-K118 WeakPolarHBondContact OD2-CG 3.36Å; V116-K118 VanDerWaalsContact C-N 3.28Å; V116-K118 PolarHBondContact O-N 3.46Å; K118-V120 VanDerWaalsContact C-N 3.28Å; K118-V120 PolarHBondContact O-N 3.29Å; K118-E121 PolarHBondContact O-N 3.17Å; K118-Y122 WeakPolarHBondContact O-CB 3.31Å; K118-Y122 PolarHBondContact O-N 3.27Å
119V98.9Very high98.6Very high0 Ų058.7 Ų58.70%031%0.309CS..Hα-helixtrans-59.1-45.2173172.20000110.2G83 I85 T98 V102 I114 D115 V116 Y122 V123 T152 L156G83-V119 WeakPolarHBondContact O-CG2 3.28Å; I85-V119 HydrophobicContact CD1-CG2 4.36Å; T98-V119 HydrophobicContact CG2-CG1 3.68Å; V102-V119 HydrophobicContact CG2-CG1 4.4Å; I114-V119 HydrophobicContact CD1-CG2 3.86Å; D115-V119 PolarHBondContact O-N 3.49Å; D115-V119 VanDerWaalsContact O-N 3.15Å; V116-V119 WeakPolarHBondContact O-CB 3.27Å; V116-V119 PolarHBondContact O-N 2.9Å; V116-V119 VanDerWaalsContact O-N 3.11Å; V119-Y122 WeakPolarHBondContact O-CB 3.43Å; V119-Y122 PolarHBondContact O-N 3.11Å; V119-V123 HydrophobicContact CG1-CG2 4.36Å; V119-V123 WeakPolarHBondContact O-CG2 3.25Å; V119-V123 PolarHBondContact O-N 3.22Å; V119-T152 HydrophobicContact CG1-CG2 3.89Å; V119-L156 HydrophobicContact CB-CD1 4.43Å; V119-L156 HydrophobicContact CG1-CD1 3.87Å
120V98.9Very high98.6Very high6 Ų657.7 Ų57.74%0.03630%0.304CS..Hα-helixtrans-60.3-47.6178.2171.30000111.2V116 D117 K118 Y122 V123 K124 L153 L156 K158 T161V116-V120 HydrophobicContact CG1-CG2 4.44Å; V116-V120 WeakPolarHBondContact O-CG2 3.23Å; V116-V120 PolarHBondContact O-N 3.33Å; D117-V120 WeakPolarHBondContact O-CB 3.34Å; D117-V120 PolarHBondContact O-N 2.96Å; K118-V120 VanDerWaalsContact C-N 3.28Å; K118-V120 PolarHBondContact O-N 3.29Å; V120-Y122 VanDerWaalsContact C-N 3.33Å; V120-Y122 PolarHBondContact O-N 2.91Å; V120-V123 PolarHBondContact O-N 2.9Å; V120-K124 VanDerWaalsContact O-CB 3.27Å; V120-K124 WeakPolarHBondContact O-CB 3.45Å; V120-K124 PolarHBondContact O-N 3.02Å; V120-L153 HydrophobicContact CB-CD2 4.41Å; V120-L153 HydrophobicContact CG1-CD2 4.24Å; V120-L153 HydrophobicContact CG2-CD2 4.1Å; V120-L156 HydrophobicContact CG2-CD1 4.15Å; V120-K158 HydrophobicContact CG1-CB 4.41Å; V120-K158 HydrophobicContact CG2-CB 3.88Å; V120-K158 HydrophobicContact CG2-CG 3.78Å; V120-T161 HydrophobicContact CG1-CG2 3.68Å
121E98.8Very high98.6Very high113 Ų11357.3 Ų57.353%0.52830%0.301SS..Hα-helixtrans-64.2-36.4177.4-70.5-58.7129.900112.5D117 K118 K124 G125D117-E121 PolarHBondContact O-N 3.04Å; K118-E121 PolarHBondContact O-N 3.17Å; E121-K124 IonicContact OE1-NZ 3.66Å; E121-G125 PolarHBondContact O-N 3.5Å
122Y98.9Very high98.7Very high22 Ų2255.5 Ų55.59%0.08629%0.292CS..Hα-helixtrans-61.6-51.2173.6178.7-102.3000111.8C82 G84 P93 H94 L95 K118 V119 V120 K124 G125 L126C82-Y122 WeakPolarHBondContact O-CB 3.31Å; G84-Y122 VanDerWaalsContact CA-CD1 3.42Å; G84-Y122 VanDerWaalsContact CA-CG 3.41Å; G84-Y122 VanDerWaalsContact N-CG 3.34Å; P93-Y122 VanDerWaalsContact C-OH 3.3Å; P93-Y122 HydrophobicContact CB-CE2 4.41Å; P93-Y122 HydrophobicContact CG-CE2 4.45Å; P93-Y122 PolarHBondContact O-OH 3.02Å; H94-Y122 VanDerWaalsContact CA-OH 3.3Å; H94-Y122 WeakPolarHBondContact CA-OH 3.47Å; H94-Y122 PolarHBondContact N-OH 3.25Å; L95-Y122 HydrophobicContact CD2-CE1 4.35Å; L95-Y122 HydrophobicContact CG-CE1 4.5Å; K118-Y122 WeakPolarHBondContact O-CB 3.31Å; K118-Y122 PolarHBondContact O-N 3.27Å; V119-Y122 WeakPolarHBondContact O-CB 3.43Å; V119-Y122 PolarHBondContact O-N 3.11Å; V120-Y122 VanDerWaalsContact C-N 3.33Å; V120-Y122 PolarHBondContact O-N 2.91Å; Y122-K124 VanDerWaalsContact C-N 3.34Å; Y122-K124 PolarHBondContact O-N 2.83Å; Y122-G125 PolarHBondContact O-N 3.05Å; Y122-L126 HydrophobicContact CD1-CD1 4.08Å; Y122-L126 HydrophobicContact CE1-CD1 3.54Å; Y122-L126 HydrophobicContact CE2-CD1 4.24Å; Y122-L126 WeakPolarHBondContact O-CG 3.29Å; Y122-L126 PolarHBondContact O-N 2.93Å
123V98.9Very high98.7Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-60.8-46.4179.7175.40000110.5L95 V119 V120 G125 L126 F133 A149 T152 L153L95-V123 HydrophobicContact CD2-CB 4.35Å; L95-V123 HydrophobicContact CD2-CG1 4.27Å; L95-V123 HydrophobicContact CD2-CG2 3.77Å; V119-V123 HydrophobicContact CG1-CG2 4.36Å; V119-V123 WeakPolarHBondContact O-CG2 3.25Å; V119-V123 PolarHBondContact O-N 3.22Å; V120-V123 PolarHBondContact O-N 2.9Å; V123-G125 VanDerWaalsContact C-N 3.34Å; V123-G125 PolarHBondContact O-N 3.48Å; V123-L126 PolarHBondContact O-N 3.37Å; V123-F133 HydrophobicContact CG1-CE1 4.34Å; V123-A149 HydrophobicContact CG1-CB 3.6Å; V123-T152 HydrophobicContact CG2-CG2 4.03Å; V123-L153 HydrophobicContact CB-CD2 4.34Å; V123-L153 HydrophobicContact CB-CG 4.49Å; V123-L153 HydrophobicContact CG1-CD1 3.82Å; V123-L153 HydrophobicContact CG1-CD2 4.29Å; V123-L153 HydrophobicContact CG1-CG 3.91Å
124K98.8Very high98.8Very high90 Ų9047.8 Ų47.839%0.39125%0.249SC..Hα-helixtrans-60.4-42.2178.1179.1-176.1176.6-171.20112.4V120 E121 Y122 L126 Q127 T161 I162V120-K124 VanDerWaalsContact O-CB 3.27Å; V120-K124 WeakPolarHBondContact O-CB 3.45Å; V120-K124 PolarHBondContact O-N 3.02Å; E121-K124 IonicContact OE1-NZ 3.66Å; Y122-K124 VanDerWaalsContact C-N 3.34Å; Y122-K124 PolarHBondContact O-N 2.83Å; K124-L126 PolarHBondContact O-N 2.95Å; K124-Q127 PolarHBondContact O-N 2.9Å; K124-T161 WeakPolarHBondContact CD-O 3.46Å; K124-T161 WeakPolarHBondContact CE-O 3.45Å; K124-T161 WeakPolarHBondContact CG-O 3.27Å; K124-I162 HydrophobicContact CB-CG2 4.26Å; K124-I162 HydrophobicContact CG-CG2 4.49Å
125G98.7Very high98.8Very high62 Ų6247.1 Ų47.164%0.63925%0.245SC*.Hα-helixtrans-65.5-13.8179.100000114.6E121 Y122 V123E121-G125 PolarHBondContact O-N 3.5Å; Y122-G125 PolarHBondContact O-N 3.05Å; V123-G125 VanDerWaalsContact C-N 3.34Å; V123-G125 PolarHBondContact O-N 3.48Å
126L98.9Very high98.8Very high13 Ų1345 Ų457%0.06823%0.234CC..THydrogen-bonded Turntrans-94-7.2178-67.9173.5000113.9L95 Y122 V123 K124 Q128 F133 A134 D136L95-L126 HydrophobicContact CD1-CB 4.44Å; L95-L126 HydrophobicContact CD1-CD1 3.85Å; L95-L126 HydrophobicContact CD2-CD1 4.04Å; L95-L126 HydrophobicContact CG-CD1 3.55Å; Y122-L126 HydrophobicContact CD1-CD1 4.08Å; Y122-L126 HydrophobicContact CE1-CD1 3.54Å; Y122-L126 HydrophobicContact CE2-CD1 4.24Å; Y122-L126 WeakPolarHBondContact O-CG 3.29Å; Y122-L126 PolarHBondContact O-N 2.93Å; V123-L126 PolarHBondContact O-N 3.37Å; K124-L126 PolarHBondContact O-N 2.95Å; L126-Q128 PolarHBondContact O-NE2 3.24Å; L126-F133 HydrophobicContact CB-CD1 4.45Å; L126-F133 WeakPolarHBondContact O-CA 3.3Å; L126-A134 HydrophobicContact CD2-CB 4.36Å; L126-A134 PolarHBondContact O-N 3.42Å; L126-D136 VanDerWaalsContact CD2-C 3.45Å; L126-D136 WeakPolarHBondContact CD2-O 3.48Å
127Q98.9Very high98.8Very high37 Ų3750.5 Ų50.517%0.17326%0.255CS..BIsolated β-bridgetrans-70.7130.7172.8-163.4174.825.900110.6K124 G131 S132 F133 N163K124-Q127 PolarHBondContact O-N 2.9Å; Q127-G131 PolarHBondContact NE2-O 3.09Å; Q127-S132 CarbonylContact C-O 3.51Å; Q127-S132 WeakPolarHBondContact CA-O 3.48Å; Q127-F133 HydrophobicContact CB-CD1 4.03Å; Q127-F133 HydrophobicContact CB-CE1 3.53Å; Q127-F133 HydrophobicContact CB-CE2 4.36Å; Q127-F133 HydrophobicContact CB-CZ 3.71Å; Q127-F133 HydrophobicContact CG-CD1 4.48Å; Q127-F133 HydrophobicContact CG-CD2 4.4Å; Q127-F133 HydrophobicContact CG-CE1 3.96Å; Q127-F133 HydrophobicContact CG-CE2 3.86Å; Q127-F133 HydrophobicContact CG-CZ 3.62Å; Q127-N163 PolarHBondContact NE2-O 2.89Å
128Q98.8Very high98.7Very high83 Ų8354.1 Ų54.139%0.38826%0.261SS..  trans-91.1168.6178.1-53-54.5-62.400111.6L126 D130 G131 S132 I141L126-Q128 PolarHBondContact O-NE2 3.24Å; Q128-D130 VanDerWaalsContact C-N 3.25Å; Q128-D130 WeakPolarHBondContact CB-OD1 3.31Å; Q128-D130 PolarHBondContact O-N 3.36Å; Q128-G131 PolarHBondContact O-N 3.1Å; Q128-S132 WeakPolarHBondContact CB-OG 3.38Å; Q128-S132 WeakPolarHBondContact CG-OG 3.31Å; Q128-S132 PolarHBondContact N-O 3.2Å; Q128-I141 HydrophobicContact CG-CD1 3.75Å
129E98.4Very high98.7Very high182 Ų18252 Ų5285%0.8526%0.263SS*.THydrogen-bonded Turntrans-60.5-32.8-179.3-64.8-173.917300113.6G131 R166E129-G131 PolarHBondContact O-N 2.74Å; E129-R166 PolarHBondContact O-NH1 3.2Å
130D98.4Very high98.7Very high84 Ų8456.5 Ų56.545%0.44928%0.284SS..THydrogen-bonded Turntrans-79.6-1.617772.3-12000113.3Q128 S132Q128-D130 VanDerWaalsContact C-N 3.25Å; Q128-D130 WeakPolarHBondContact CB-OD1 3.31Å; Q128-D130 PolarHBondContact O-N 3.36Å; D130-S132 WeakPolarHBondContact OD1-CB 3.28Å; D130-S132 PolarHBondContact OD1-N 3.26Å; D130-S132 PolarHBondContact OD1-OG 3.09Å
131G98.8Very high98.7Very high0 Ų057.8 Ų57.80%029%0.29CS..SBendtrans91.6-10.8-178.900000115Q127 Q128 E129 A167Q127-G131 PolarHBondContact NE2-O 3.09Å; Q128-G131 PolarHBondContact O-N 3.1Å; E129-G131 PolarHBondContact O-N 2.74Å; G131-A167 WeakPolarHBondContact O-CA 3.49Å
132S98.9Very high98.7Very high1 Ų152.5 Ų52.51%0.00727%0.266CS..  trans-64.6165174.871.30000112Q127 Q128 D130 F170Q127-S132 CarbonylContact C-O 3.51Å; Q127-S132 WeakPolarHBondContact CA-O 3.48Å; Q128-S132 WeakPolarHBondContact CB-OG 3.38Å; Q128-S132 WeakPolarHBondContact CG-OG 3.31Å; Q128-S132 PolarHBondContact N-O 3.2Å; D130-S132 WeakPolarHBondContact OD1-CB 3.28Å; D130-S132 PolarHBondContact OD1-N 3.26Å; D130-S132 PolarHBondContact OD1-OG 3.09Å; S132-F170 VanDerWaalsContact CB-CD2 3.48Å; S132-F170 VanDerWaalsContact CB-CE2 3.42Å; S132-F170 VanDerWaalsContact CB-CZ 3.45Å
133F98.9Very high98.7Very high0 Ų051.5 Ų51.50%026%0.262CS..BIsolated β-bridgetrans-118.2133.1174.1-75.4-97.2000110.2L95 V123 L126 Q127 F145 A149 I162 A167L95-F133 HydrophobicContact CD1-CB 4.3Å; V123-F133 HydrophobicContact CG1-CE1 4.34Å; L126-F133 HydrophobicContact CB-CD1 4.45Å; L126-F133 WeakPolarHBondContact O-CA 3.3Å; Q127-F133 HydrophobicContact CB-CD1 4.03Å; Q127-F133 HydrophobicContact CB-CE1 3.53Å; Q127-F133 HydrophobicContact CB-CE2 4.36Å; Q127-F133 HydrophobicContact CB-CZ 3.71Å; Q127-F133 HydrophobicContact CG-CD1 4.48Å; Q127-F133 HydrophobicContact CG-CD2 4.4Å; Q127-F133 HydrophobicContact CG-CE1 3.96Å; Q127-F133 HydrophobicContact CG-CE2 3.86Å; Q127-F133 HydrophobicContact CG-CZ 3.62Å; F133-F145 HydrophobicContact CB-CB 4.11Å; F133-A149 HydrophobicContact CD1-CB 3.46Å; F133-A149 VanDerWaalsContact CD1-CB 3.46Å; F133-A149 HydrophobicContact CD2-CB 4.1Å; F133-A149 HydrophobicContact CE1-CB 3.51Å; F133-A149 HydrophobicContact CE2-CB 4.14Å; F133-A149 HydrophobicContact CG-CB 3.77Å; F133-A149 HydrophobicContact CZ-CB 3.86Å; F133-I162 HydrophobicContact CE1-CG2 4.24Å; F133-I162 HydrophobicContact CE2-CD1 4.37Å; F133-I162 HydrophobicContact CZ-CB 4.24Å; F133-I162 HydrophobicContact CZ-CD1 3.77Å; F133-I162 HydrophobicContact CZ-CG2 4.05Å; F133-A167 HydrophobicContact CE2-CB 3.94Å
134A98.9Very high98.7Very high2 Ų255.5 Ų55.52%0.01728%0.277CS..BIsolated β-bridgetrans-79.2147.2166.700000110.6L95 L126 D136 E140 I141L95-A134 WeakPolarHBondContact CD1-O 3.36Å; L126-A134 HydrophobicContact CD2-CB 4.36Å; L126-A134 PolarHBondContact O-N 3.42Å; A134-D136 VanDerWaalsContact C-N 3.31Å; A134-D136 WeakPolarHBondContact CB-O 3.44Å; A134-D136 PolarHBondContact O-N 3.46Å; A134-E140 CarbonylContact C-O 3.47Å; A134-E140 VanDerWaalsContact CA-O 3.23Å; A134-E140 WeakPolarHBondContact CA-O 3.42Å; A134-I141 HydrophobicContact CB-CD1 3.96Å
135G98.5Very high98.7Very high0 Ų051.2 Ų51.20%026%0.259CS..SBendtrans-66.1-35.6177.900000113.4H94 L95 E140 F145H94-G135 WeakPolarHBondContact CE1-CA 3.21Å; H94-G135 PolarHBondContact CE1-O 3.49Å; H94-G135 PolarHBondContact ND1-O 3.11Å; H94-G135 VanDerWaalsContact ND1-O 3.09Å; L95-G135 PolarHBondContact N-O 3.33Å; G135-E140 PolarHBondContact N-O 2.97Å; G135-F145 VanDerWaalsContact CA-CD2 3.41Å
136D98.7Very high98.7Very high25 Ų2548.3 Ų48.313%0.13423%0.228CC..SBendtrans-159.3-166.9177.364.123.3000110H94 L126 A134 W138 G139H94-D136 IonicContact CD2-OD2 3.76Å; L126-D136 VanDerWaalsContact CD2-C 3.45Å; L126-D136 WeakPolarHBondContact CD2-O 3.48Å; A134-D136 VanDerWaalsContact C-N 3.31Å; A134-D136 WeakPolarHBondContact CB-O 3.44Å; A134-D136 PolarHBondContact O-N 3.46Å; D136-W138 PolarHBondContact O-N 2.95Å; D136-W138 VanDerWaalsContact O-N 3.09Å; D136-W138 WeakPolarHBondContact OD1-CA 3.5Å; D136-W138 VanDerWaalsContact OD1-CB 3.25Å; D136-W138 WeakPolarHBondContact OD1-CB 3.31Å; D136-W138 PolarHBondContact OD1-N 3.01Å; D136-G139 PolarHBondContact O-N 3.15Å
137K98.3Very high98.7Very high149 Ų14948.2 Ų48.265%0.64823%0.227SC*.THydrogen-bonded Turntrans-62.9-12.3-179.670.8-174179.6-166.30115
138W98.4Very high98.7Very high182 Ų18246.8 Ų46.869%0.68922%0.221SC*.THydrogen-bonded Turntrans-89.7-5.5-177.4-55.2116.7000113.2D136D136-W138 PolarHBondContact O-N 2.95Å; D136-W138 VanDerWaalsContact O-N 3.09Å; D136-W138 WeakPolarHBondContact OD1-CA 3.5Å; D136-W138 VanDerWaalsContact OD1-CB 3.25Å; D136-W138 WeakPolarHBondContact OD1-CB 3.31Å; D136-W138 PolarHBondContact OD1-N 3.01Å
139G97.8Very high98.7Very high41 Ų4142.8 Ų42.842%0.42320%0.203SC..  trans84.517.8161.300000116D136 I141D136-G139 PolarHBondContact O-N 3.15Å; G139-I141 PolarHBondContact O-N 3.24Å
140E98.7Very high98.7Very high95 Ų9534.2 Ų34.244%0.44416%0.162SC..  trans-64.1124.3168.9-174-169.7-169.700109.7A134 G135 F145A134-E140 CarbonylContact C-O 3.47Å; A134-E140 VanDerWaalsContact CA-O 3.23Å; A134-E140 WeakPolarHBondContact CA-O 3.42Å; G135-E140 PolarHBondContact N-O 2.97Å; E140-F145 HydrophobicContact CB-CE2 4.08Å; E140-F145 HydrophobicContact CG-CE2 3.93Å; E140-F145 HydrophobicContact CG-CZ 4.5Å; E140-F145 WeakPolarHBondContact O-CD2 3.4Å; E140-F145 VanDerWaalsContact O-CE2 3.28Å; E140-F145 WeakPolarHBondContact O-CE2 3.26Å; E140-F145 WeakPolarHBondContact OE2-CZ 3.24Å
141I98.8Very high98.7Very high32 Ų3230.2 Ų30.216%0.16414%0.141CC..BIsolated β-bridgetrans-100.3125.7176.6-55.2-53.3000110.5Q128 A134 G139 F170 R184Q128-I141 HydrophobicContact CG-CD1 3.75Å; A134-I141 HydrophobicContact CB-CD1 3.96Å; G139-I141 PolarHBondContact O-N 3.24Å; I141-F170 HydrophobicContact CG2-CE1 4.33Å; I141-F170 HydrophobicContact CG2-CE2 4.22Å; I141-F170 HydrophobicContact CG2-CZ 3.61Å; I141-R184 HydrophobicContact CB-CG 4.36Å; I141-R184 HydrophobicContact CG2-CG 4.11Å; I141-R184 WeakPolarHBondContact O-CD 3.26Å; I141-R184 VanDerWaalsContact O-CG 3.27Å; I141-R184 WeakPolarHBondContact O-CG 3.33Å; I141-R184 PolarHBondContact O-NH1 3.09Å
142D98.8Very high98.7Very high2 Ų230.2 Ų30.21%0.01114%0.141CC..  trans-150.4140.6175.2-163.6-59.7000110.1R144 F145 S146 C183D142-R144 VanDerWaalsContact CG-NE 3.26Å; D142-R144 PolarHBondContact O-N 3.47Å; D142-R144 VanDerWaalsContact O-N 3.16Å; D142-R144 VanDerWaalsContact OD1-CB 3.28Å; D142-R144 WeakPolarHBondContact OD1-CB 3.31Å; D142-R144 WeakPolarHBondContact OD1-CG 3.42Å; D142-R144 PolarHBondContact OD1-N 2.96Å; D142-R144 IonicContact OD1-NE 2.72Å; D142-R144 PolarHBondContact OD1-NE 3.1Å; D142-R144 VanDerWaalsContact OD1-NE 3.11Å; D142-R144 IonicContact OD2-CZ 3.11Å; D142-R144 VanDerWaalsContact OD2-CZ 3.3Å; D142-R144 IonicContact OD2-NE 2.81Å; D142-R144 PolarHBondContact OD2-NE 2.89Å; D142-R144 IonicContact OD2-NH2 3.02Å; D142-R144 PolarHBondContact OD2-NH2 3.44Å; D142-F145 HydrophobicContact CB-CD2 3.68Å; D142-F145 HydrophobicContact CB-CE2 3.62Å; D142-F145 HydrophobicContact CB-CG 4.22Å; D142-F145 HydrophobicContact CB-CZ 4.1Å; D142-F145 WeakPolarHBondContact O-CB 3.25Å; D142-F145 PolarHBondContact O-N 3.38Å; D142-S146 PolarHBondContact O-N 2.93Å; D142-C183 CarbonylContact C-O 3.55Å; D142-C183 VanDerWaalsContact CA-O 3.31Å; D142-C183 WeakPolarHBondContact CA-O 3.35Å; D142-C183 PolarHBondContact OD2-SG 3.01Å
143T98.9Very high98.7Very high1 Ų130.1 Ų30.11%0.00614%0.141CC..Hα-helixtrans-58.2-25173.946.90000112.8F145 S146 F147 F170 C174 G182 C183 C197T143-F145 PolarHBondContact O-N 3.48Å; T143-S146 WeakPolarHBondContact O-CB 3.33Å; T143-S146 PolarHBondContact O-N 3.17Å; T143-S146 VanDerWaalsContact O-N 3.16Å; T143-F147 PolarHBondContact O-N 3.4Å; T143-F170 HydrophobicContact CG2-CE1 4.05Å; T143-C174 HydrophobicContact CG2-CB 3.85Å; T143-C174 VanDerWaalsContact CG2-SG 3.54Å; T143-G182 WeakPolarHBondContact CG2-O 3.33Å; T143-G182 PolarHBondContact OG1-O 3.13Å; T143-C183 PolarHBondContact N-O 3.29Å; T143-C197 VanDerWaalsContact CB-SG 3.56Å
144R98.8Very high98.7Very high84 Ų8430.8 Ų30.832%0.31715%0.146SC..Hα-helixtrans-57.6-36.5168.8-67.8178.5-67.1151.64.6112.2D142 F147 C148 C196D142-R144 VanDerWaalsContact CG-NE 3.26Å; D142-R144 PolarHBondContact O-N 3.47Å; D142-R144 VanDerWaalsContact O-N 3.16Å; D142-R144 VanDerWaalsContact OD1-CB 3.28Å; D142-R144 WeakPolarHBondContact OD1-CB 3.31Å; D142-R144 WeakPolarHBondContact OD1-CG 3.42Å; D142-R144 PolarHBondContact OD1-N 2.96Å; D142-R144 IonicContact OD1-NE 2.72Å; D142-R144 PolarHBondContact OD1-NE 3.1Å; D142-R144 VanDerWaalsContact OD1-NE 3.11Å; D142-R144 IonicContact OD2-CZ 3.11Å; D142-R144 VanDerWaalsContact OD2-CZ 3.3Å; D142-R144 IonicContact OD2-NE 2.81Å; D142-R144 PolarHBondContact OD2-NE 2.89Å; D142-R144 IonicContact OD2-NH2 3.02Å; D142-R144 PolarHBondContact OD2-NH2 3.44Å; R144-F147 WeakPolarHBondContact O-CB 3.42Å; R144-F147 PolarHBondContact O-N 3.43Å; R144-C148 PolarHBondContact O-N 3.06Å; R144-C148 PolarHBondContact O-SG 3.24Å; R144-C196 HydrophobicContact CG-CB 4.36Å
145F98.9Very high98.7Very high1 Ų131 Ų310%0.00415%0.147CC..Hα-helixtrans-76.1-30.5177.9-52.2-32.1000112.1H94 L95 L96 F133 G135 E140 D142 T143 F147 C148 A149H94-F145 AromaticContact CE1-CD1 4Å; H94-F145 AromaticContact CE1-CE1 3.42Å; H94-F145 VanDerWaalsContact CE1-CE1 3.42Å; H94-F145 WeakPolarHBondContact CE1-CE1 3.15Å; H94-F145 AromaticContact CE1-CZ 3.67Å; L95-F145 HydrophobicContact CD1-CB 3.99Å; L96-F145 HydrophobicContact CD1-CE1 4.26Å; L96-F145 HydrophobicContact CD2-CE1 4.26Å; L96-F145 HydrophobicContact CG-CE1 4.08Å; F133-F145 HydrophobicContact CB-CB 4.11Å; G135-F145 VanDerWaalsContact CA-CD2 3.41Å; E140-F145 HydrophobicContact CB-CE2 4.08Å; E140-F145 HydrophobicContact CG-CE2 3.93Å; E140-F145 HydrophobicContact CG-CZ 4.5Å; E140-F145 WeakPolarHBondContact O-CD2 3.4Å; E140-F145 VanDerWaalsContact O-CE2 3.28Å; E140-F145 WeakPolarHBondContact O-CE2 3.26Å; E140-F145 WeakPolarHBondContact OE2-CZ 3.24Å; D142-F145 HydrophobicContact CB-CD2 3.68Å; D142-F145 HydrophobicContact CB-CE2 3.62Å; D142-F145 HydrophobicContact CB-CG 4.22Å; D142-F145 HydrophobicContact CB-CZ 4.1Å; D142-F145 WeakPolarHBondContact O-CB 3.25Å; D142-F145 PolarHBondContact O-N 3.38Å; T143-F145 PolarHBondContact O-N 3.48Å; F145-F147 VanDerWaalsContact C-N 3.34Å; F145-C148 PolarHBondContact O-N 3.29Å; F145-A149 WeakPolarHBondContact O-CB 3.47Å; F145-A149 PolarHBondContact O-N 2.91Å
146S98.9Very high98.7Very high0 Ų032.1 Ų32.10%015%0.153CC..Hα-helixtrans-60.8-46.2169-54.60000110.3D142 T143 A149 V150 F200D142-S146 PolarHBondContact O-N 2.93Å; T143-S146 WeakPolarHBondContact O-CB 3.33Å; T143-S146 PolarHBondContact O-N 3.17Å; T143-S146 VanDerWaalsContact O-N 3.16Å; S146-A149 PolarHBondContact O-N 3.09Å; S146-V150 WeakPolarHBondContact O-CG2 3.49Å; S146-V150 PolarHBondContact O-N 3.29Å; S146-V150 VanDerWaalsContact O-N 3.14Å; S146-F200 WeakPolarHBondContact O-CD2 3.07Å
147F98.9Very high98.7Very high12 Ų1233.9 Ų33.95%0.05318%0.177CC..Hα-helixtrans-60.1-48.5172.6173.5-102.3000112.3L99 T143 R144 F145 A149 V150 A151 Y195 C196 L203 V312 L313L99-F147 HydrophobicContact CD2-CD1 4.48Å; L99-F147 HydrophobicContact CD2-CE1 4.07Å; T143-F147 PolarHBondContact O-N 3.4Å; R144-F147 WeakPolarHBondContact O-CB 3.42Å; R144-F147 PolarHBondContact O-N 3.43Å; F145-F147 VanDerWaalsContact C-N 3.34Å; F147-A149 VanDerWaalsContact C-N 3.31Å; F147-A149 PolarHBondContact O-N 3.24Å; F147-V150 WeakPolarHBondContact O-CG2 3.46Å; F147-V150 PolarHBondContact O-N 2.89Å; F147-A151 HydrophobicContact CE1-CB 4.4Å; F147-A151 HydrophobicContact CE2-CB 4.3Å; F147-A151 HydrophobicContact CZ-CB 4.17Å; F147-A151 WeakPolarHBondContact O-CB 3.47Å; F147-A151 PolarHBondContact O-N 2.93Å; F147-Y195 HydrophobicContact CE1-CE1 4.33Å; F147-Y195 HydrophobicContact CZ-CE1 4.27Å; F147-C196 HydrophobicContact CB-CB 3.67Å; F147-C196 HydrophobicContact CD1-CB 4.48Å; F147-C196 WeakPolarHBondContact CD2-O 3.39Å; F147-C196 HydrophobicContact CG-CB 4.05Å; F147-L203 HydrophobicContact CE2-CD1 4.35Å; F147-V312 HydrophobicContact CE2-CG1 4.5Å; F147-V312 WeakPolarHBondContact CE2-O 3.29Å; F147-V312 VanDerWaalsContact CZ-O 3.25Å; F147-V312 WeakPolarHBondContact CZ-O 3.27Å; F147-L313 HydrophobicContact CZ-CD2 4.38Å
148C98.9Very high98.7Very high6 Ų630.3 Ų30.34%0.04116%0.161CC..Hα-helixtrans-58.5-42.3179.1-70.20000112.8L95 L99 R144 F145 T152L95-C148 HydrophobicContact CB-CB 4.09Å; L99-C148 HydrophobicContact CB-CB 4.27Å; L99-C148 HydrophobicContact CD2-CB 4.3Å; R144-C148 PolarHBondContact O-N 3.06Å; R144-C148 PolarHBondContact O-SG 3.24Å; F145-C148 PolarHBondContact O-N 3.29Å; C148-T152 VanDerWaalsContact O-CB 3.24Å; C148-T152 WeakPolarHBondContact O-CB 3.46Å; C148-T152 PolarHBondContact O-N 3.47Å; C148-T152 PolarHBondContact O-OG1 3.42Å
149A98.9Very high98.7Very high0 Ų023.6 Ų23.60%014%0.138CC..Hα-helixtrans-61.8-54178.100000111.5L95 V123 F133 F145 S146 F147 T152 L153L95-A149 HydrophobicContact CD1-CB 4.45Å; V123-A149 HydrophobicContact CG1-CB 3.6Å; F133-A149 HydrophobicContact CD1-CB 3.46Å; F133-A149 VanDerWaalsContact CD1-CB 3.46Å; F133-A149 HydrophobicContact CD2-CB 4.1Å; F133-A149 HydrophobicContact CE1-CB 3.51Å; F133-A149 HydrophobicContact CE2-CB 4.14Å; F133-A149 HydrophobicContact CG-CB 3.77Å; F133-A149 HydrophobicContact CZ-CB 3.86Å; F145-A149 WeakPolarHBondContact O-CB 3.47Å; F145-A149 PolarHBondContact O-N 2.91Å; S146-A149 PolarHBondContact O-N 3.09Å; F147-A149 VanDerWaalsContact C-N 3.31Å; F147-A149 PolarHBondContact O-N 3.24Å; A149-T152 PolarHBondContact O-N 2.88Å; A149-L153 WeakPolarHBondContact O-CG 3.48Å; A149-L153 PolarHBondContact O-N 3.06Å
150V98.9Very high98.6Very high1 Ų128.1 Ų28.11%0.00615%0.153CC..Hα-helixtrans-69.3-36.7-177.8-59.40000112.5S146 F147 T152 L153 A154 M159 I162 F200 L203 T204S146-V150 WeakPolarHBondContact O-CG2 3.49Å; S146-V150 PolarHBondContact O-N 3.29Å; S146-V150 VanDerWaalsContact O-N 3.14Å; F147-V150 WeakPolarHBondContact O-CG2 3.46Å; F147-V150 PolarHBondContact O-N 2.89Å; V150-T152 VanDerWaalsContact C-N 3.35Å; V150-L153 PolarHBondContact O-N 3.09Å; V150-A154 WeakPolarHBondContact O-CB 3.28Å; V150-A154 PolarHBondContact O-N 2.88Å; V150-M159 HydrophobicContact CB-CE 3.97Å; V150-M159 HydrophobicContact CB-SD 3.99Å; V150-M159 HydrophobicContact CG1-SD 4.07Å; V150-M159 VanDerWaalsContact O-CE 3.28Å; V150-M159 WeakPolarHBondContact O-CE 3.45Å; V150-I162 HydrophobicContact CG1-CD1 4.04Å; V150-F200 HydrophobicContact CB-CD2 4.15Å; V150-F200 HydrophobicContact CB-CE2 4.3Å; V150-F200 HydrophobicContact CG1-CD2 3.64Å; V150-F200 HydrophobicContact CG1-CE2 3.31Å; V150-F200 HydrophobicContact CG1-CZ 4.19Å; V150-F200 HydrophobicContact CG2-CB 4.21Å; V150-F200 HydrophobicContact CG2-CD2 3.4Å; V150-F200 VanDerWaalsContact CG2-CD2 3.4Å; V150-F200 HydrophobicContact CG2-CE2 4.03Å; V150-F200 HydrophobicContact CG2-CG 4.07Å; V150-L203 HydrophobicContact CG2-CB 4.41Å; V150-L203 HydrophobicContact CG2-CD1 3.98Å; V150-T204 HydrophobicContact CG1-CG2 4.39Å
151A98.9Very high98.6Very high0 Ų025.3 Ų25.30%014%0.142CC..Hα-helixtrans-63.4-42.7175.800000111.4L99 F147 L155 L203 L313L99-A151 HydrophobicContact CD1-CB 3.62Å; L99-A151 HydrophobicContact CD2-CB 4.34Å; F147-A151 HydrophobicContact CE1-CB 4.4Å; F147-A151 HydrophobicContact CE2-CB 4.3Å; F147-A151 HydrophobicContact CZ-CB 4.17Å; F147-A151 WeakPolarHBondContact O-CB 3.47Å; F147-A151 PolarHBondContact O-N 2.93Å; A151-L155 WeakPolarHBondContact O-CG 3.3Å; A151-L155 PolarHBondContact O-N 3.04Å; A151-L155 VanDerWaalsContact O-N 3.09Å; A151-L203 HydrophobicContact CB-CD1 3.96Å; A151-L313 HydrophobicContact CB-CD2 3.59Å
152T98.9Very high98.6Very high0 Ų024.6 Ų24.60%014%0.138CC..Hα-helixtrans-61-51.8175.2-59.10000110.5T98 L99 V102 V119 V123 C148 A149 V150 A154 L155 L156T98-T152 HydrophobicContact CG2-CG2 4.35Å; L99-T152 WeakPolarHBondContact CA-OG1 3.21Å; V102-T152 HydrophobicContact CB-CG2 4.46Å; V102-T152 HydrophobicContact CG2-CG2 4.02Å; V119-T152 HydrophobicContact CG1-CG2 3.89Å; V123-T152 HydrophobicContact CG2-CG2 4.03Å; C148-T152 VanDerWaalsContact O-CB 3.24Å; C148-T152 WeakPolarHBondContact O-CB 3.46Å; C148-T152 PolarHBondContact O-N 3.47Å; C148-T152 PolarHBondContact O-OG1 3.42Å; A149-T152 PolarHBondContact O-N 2.88Å; V150-T152 VanDerWaalsContact C-N 3.35Å; T152-A154 VanDerWaalsContact C-N 3.35Å; T152-A154 PolarHBondContact O-N 3.24Å; T152-L155 PolarHBondContact O-N 2.83Å; T152-L156 HydrophobicContact CG2-CD1 3.96Å; T152-L156 VanDerWaalsContact O-CG 3.26Å; T152-L156 WeakPolarHBondContact O-CG 3.49Å; T152-L156 PolarHBondContact O-N 3.35Å; T152-L156 VanDerWaalsContact O-N 3.13Å
153L98.9Very high98.6Very high0 Ų028.2 Ų28.20%016%0.158CC..Hα-helixtrans-68.4-32-177.9-65.7174.4000113.1V120 V123 A149 V150 L156 G157 K158 M159 I162V120-L153 HydrophobicContact CB-CD2 4.41Å; V120-L153 HydrophobicContact CG1-CD2 4.24Å; V120-L153 HydrophobicContact CG2-CD2 4.1Å; V123-L153 HydrophobicContact CB-CD2 4.34Å; V123-L153 HydrophobicContact CB-CG 4.49Å; V123-L153 HydrophobicContact CG1-CD1 3.82Å; V123-L153 HydrophobicContact CG1-CD2 4.29Å; V123-L153 HydrophobicContact CG1-CG 3.91Å; A149-L153 WeakPolarHBondContact O-CG 3.48Å; A149-L153 PolarHBondContact O-N 3.06Å; V150-L153 PolarHBondContact O-N 3.09Å; L153-L156 PolarHBondContact O-N 3.06Å; L153-G157 PolarHBondContact O-N 2.87Å; L153-K158 HydrophobicContact CD2-CB 4.09Å; L153-K158 PolarHBondContact O-N 3.18Å; L153-M159 HydrophobicContact CB-SD 4.39Å; L153-I162 HydrophobicContact CD1-CB 4.28Å; L153-I162 HydrophobicContact CD1-CD1 3.8Å; L153-I162 HydrophobicContact CD1-CG1 3.78Å; L153-I162 HydrophobicContact CD1-CG2 3.55Å
154A98.8Very high98.6Very high14 Ų1429.8 Ų29.812%0.11617%0.167CC..Hα-helixtrans-63.6-47.8173.900000111.3V150 T152 L156 G157 M159 L203 L325V150-A154 WeakPolarHBondContact O-CB 3.28Å; V150-A154 PolarHBondContact O-N 2.88Å; T152-A154 VanDerWaalsContact C-N 3.35Å; T152-A154 PolarHBondContact O-N 3.24Å; A154-L156 PolarHBondContact O-N 2.99Å; A154-G157 PolarHBondContact O-N 3.32Å; A154-G157 VanDerWaalsContact O-N 3.12Å; A154-M159 HydrophobicContact CB-CE 3.64Å; A154-L203 HydrophobicContact CB-CD2 3.94Å; A154-L325 HydrophobicContact CB-CD1 4.07Å; A154-L325 HydrophobicContact CB-CD2 3.85Å
155L98.8Very high98.6Very high7 Ų731.1 Ų31.14%0.03718%0.181CC..Hα-helixtrans-62.7-29.2177.2-74.7170000112.6L99 V102 Q103 A151 T152 L313 M315 L320 V323 L325L99-L155 HydrophobicContact CD1-CD1 4.41Å; V102-L155 HydrophobicContact CG1-CB 3.86Å; V102-L155 HydrophobicContact CG1-CD1 4.09Å; Q103-L155 HydrophobicContact CG-CD1 3.8Å; A151-L155 WeakPolarHBondContact O-CG 3.3Å; A151-L155 PolarHBondContact O-N 3.04Å; A151-L155 VanDerWaalsContact O-N 3.09Å; T152-L155 PolarHBondContact O-N 2.83Å; L155-L313 HydrophobicContact CD2-CD1 3.96Å; L155-L313 HydrophobicContact CG-CD1 4.24Å; L155-M315 HydrophobicContact CD1-SD 4.38Å; L155-M315 HydrophobicContact CD2-SD 4.45Å; L155-L320 HydrophobicContact CD2-CD2 3.86Å; L155-V323 HydrophobicContact CD2-CG2 4.37Å; L155-L325 HydrophobicContact CD2-CD2 4.04Å; L155-L325 HydrophobicContact CG-CD2 4.36Å
156L98.6Very high98.6Very high23 Ų2336.3 Ų36.312%0.1220%0.2CC..Hα-helixtrans-88.6-9.4177.2-62.4175.7000113.8V102 L111 V116 V119 V120 T152 L153 A154 K158V102-L156 HydrophobicContact CG1-CD2 3.99Å; V102-L156 HydrophobicContact CG1-CG 4.15Å; V102-L156 HydrophobicContact CG2-CD2 4.48Å; L111-L156 HydrophobicContact CD1-CD2 4.15Å; L111-L156 HydrophobicContact CD2-CD2 3.78Å; V116-L156 HydrophobicContact CG1-CD1 4.17Å; V116-L156 HydrophobicContact CG1-CD2 3.92Å; V116-L156 HydrophobicContact CG1-CG 4.42Å; V116-L156 HydrophobicContact CG2-CD2 4.32Å; V119-L156 HydrophobicContact CB-CD1 4.43Å; V119-L156 HydrophobicContact CG1-CD1 3.87Å; V120-L156 HydrophobicContact CG2-CD1 4.15Å; T152-L156 HydrophobicContact CG2-CD1 3.96Å; T152-L156 VanDerWaalsContact O-CG 3.26Å; T152-L156 WeakPolarHBondContact O-CG 3.49Å; T152-L156 PolarHBondContact O-N 3.35Å; T152-L156 VanDerWaalsContact O-N 3.13Å; L153-L156 PolarHBondContact O-N 3.06Å; A154-L156 PolarHBondContact O-N 2.99Å; L156-K158 HydrophobicContact CB-CB 4.44Å; L156-K158 HydrophobicContact CB-CG 4.11Å; L156-K158 WeakPolarHBondContact O-CG 3.46Å
157G98.3Very high98.6Very high62 Ų6236.3 Ų36.364%0.63920%0.2SC*.THydrogen-bonded Turntrans67.236.7-174.700000113.8L153 A154L153-G157 PolarHBondContact O-N 2.87Å; A154-G157 PolarHBondContact O-N 3.32Å; A154-G157 VanDerWaalsContact O-N 3.12Å
158K98.4Very high98.6Very high74 Ų7436.1 Ų36.132%0.32220%0.2SC..  trans-130.128.3-171-61.9-70.9-177.7165.20113.5V120 L153 L156 D160 T161V120-K158 HydrophobicContact CG1-CB 4.41Å; V120-K158 HydrophobicContact CG2-CB 3.88Å; V120-K158 HydrophobicContact CG2-CG 3.78Å; L153-K158 HydrophobicContact CD2-CB 4.09Å; L153-K158 PolarHBondContact O-N 3.18Å; L156-K158 HydrophobicContact CB-CB 4.44Å; L156-K158 HydrophobicContact CB-CG 4.11Å; L156-K158 WeakPolarHBondContact O-CG 3.46Å; K158-D160 PolarHBondContact O-N 3.15Å; K158-T161 HydrophobicContact CB-CG2 4.18Å; K158-T161 WeakPolarHBondContact O-CB 3.42Å; K158-T161 WeakPolarHBondContact O-CG2 3.3Å; K158-T161 PolarHBondContact O-N 3.45Å; K158-T161 PolarHBondContact O-OG1 3.43Å
159M97.4Very high98.6Very high41 Ų4141.3 Ų41.320%0.20222%0.224CC..G310 helixtrans-60.7-28.3-176.9-166.866.573.400113.1V150 L153 A154 T161 I162 V164V150-M159 HydrophobicContact CB-CE 3.97Å; V150-M159 HydrophobicContact CB-SD 3.99Å; V150-M159 HydrophobicContact CG1-SD 4.07Å; V150-M159 VanDerWaalsContact O-CE 3.28Å; V150-M159 WeakPolarHBondContact O-CE 3.45Å; L153-M159 HydrophobicContact CB-SD 4.39Å; A154-M159 HydrophobicContact CB-CE 3.64Å; M159-T161 PolarHBondContact O-N 3.04Å; M159-T161 VanDerWaalsContact O-N 3.13Å; M159-I162 WeakPolarHBondContact O-CG1 3.37Å; M159-I162 HydrophobicContact SD-CD1 4.29Å; M159-V164 HydrophobicContact CG-CG2 3.9Å; M159-V164 HydrophobicContact SD-CG2 4.41Å
160D97.1Very high98.6Very high136 Ų13641.6 Ų41.673%0.72723%0.225SC*.G310 helixtrans-68.1-5.9-179.563.3-40.6000114.4K158K158-D160 PolarHBondContact O-N 3.15Å
161T97.9Very high98.6Very high36 Ų3641.6 Ų41.622%0.22123%0.225CC..G310 helixtrans-84.8-15.8-176.4620000114.2V120 K124 K158 M159V120-T161 HydrophobicContact CG1-CG2 3.68Å; K124-T161 WeakPolarHBondContact CD-O 3.46Å; K124-T161 WeakPolarHBondContact CE-O 3.45Å; K124-T161 WeakPolarHBondContact CG-O 3.27Å; K158-T161 HydrophobicContact CB-CG2 4.18Å; K158-T161 WeakPolarHBondContact O-CB 3.42Å; K158-T161 WeakPolarHBondContact O-CG2 3.3Å; K158-T161 PolarHBondContact O-N 3.45Å; K158-T161 PolarHBondContact O-OG1 3.43Å; M159-T161 PolarHBondContact O-N 3.04Å; M159-T161 VanDerWaalsContact O-N 3.13Å
162I98.6Very high98.6Very high16 Ų1643.3 Ų43.38%0.08223%0.234CC..SBendtrans-112.7164.7178.757.3162.8000111.2K124 F133 V150 L153 M159 V164K124-I162 HydrophobicContact CB-CG2 4.26Å; K124-I162 HydrophobicContact CG-CG2 4.49Å; F133-I162 HydrophobicContact CE1-CG2 4.24Å; F133-I162 HydrophobicContact CE2-CD1 4.37Å; F133-I162 HydrophobicContact CZ-CB 4.24Å; F133-I162 HydrophobicContact CZ-CD1 3.77Å; F133-I162 HydrophobicContact CZ-CG2 4.05Å; V150-I162 HydrophobicContact CG1-CD1 4.04Å; L153-I162 HydrophobicContact CD1-CB 4.28Å; L153-I162 HydrophobicContact CD1-CD1 3.8Å; L153-I162 HydrophobicContact CD1-CG1 3.78Å; L153-I162 HydrophobicContact CD1-CG2 3.55Å; M159-I162 WeakPolarHBondContact O-CG1 3.37Å; M159-I162 HydrophobicContact SD-CD1 4.29Å; I162-V164 HydrophobicContact CD1-CG2 4.39Å; I162-V164 HydrophobicContact CG1-CG2 4.09Å; I162-V164 PolarHBondContact O-N 3.45Å; I162-V164 VanDerWaalsContact O-N 3.1Å
163N98.6Very high98.5Very high78 Ų7846.3 Ų46.342%0.41726%0.255SS..  trans-80.988.8171.2-169.2-31.1000109.9Q127 D165 R166 A167Q127-N163 PolarHBondContact NE2-O 2.89Å; N163-D165 VanDerWaalsContact C-N 3.35Å; N163-D165 PolarHBondContact O-N 3.22Å; N163-D165 PolarHBondContact OD1-N 3.42Å; N163-R166 HydrophobicContact CB-CB 4.15Å; N163-R166 HydrophobicContact CB-CG 4.4Å; N163-R166 VanDerWaalsContact CG-CG 3.47Å; N163-R166 VanDerWaalsContact ND2-CG 3.35Å; N163-R166 WeakPolarHBondContact ND2-CG 3.48Å; N163-R166 PolarHBondContact O-N 2.83Å; N163-R166 WeakPolarHBondContact OD1-CB 3.44Å; N163-R166 WeakPolarHBondContact OD1-CG 3.25Å; N163-R166 PolarHBondContact OD1-N 3.27Å; N163-A167 PolarHBondContact O-N 3.08Å
164V98.7Very high98.5Very high34 Ų3446.3 Ų46.321%0.20626%0.255CS..Hα-helixtrans-61.3-42.4-178.1178.90000111.5M159 I162 R166 A167 V168 T204M159-V164 HydrophobicContact CG-CG2 3.9Å; M159-V164 HydrophobicContact SD-CG2 4.41Å; I162-V164 HydrophobicContact CD1-CG2 4.39Å; I162-V164 HydrophobicContact CG1-CG2 4.09Å; I162-V164 PolarHBondContact O-N 3.45Å; I162-V164 VanDerWaalsContact O-N 3.1Å; V164-R166 VanDerWaalsContact C-N 3.34Å; V164-R166 PolarHBondContact O-N 3.15Å; V164-A167 WeakPolarHBondContact O-CB 3.45Å; V164-A167 PolarHBondContact O-N 3.06Å; V164-A167 VanDerWaalsContact O-N 3.14Å; V164-V168 HydrophobicContact CG1-CG2 4.14Å; V164-V168 VanDerWaalsContact O-CG2 3.26Å; V164-V168 WeakPolarHBondContact O-CG2 3.28Å; V164-V168 PolarHBondContact O-N 2.95Å; V164-T204 HydrophobicContact CG1-CG2 3.9Å
165D98.6Very high98.6Very high112 Ų11248.5 Ų48.560%0.59926%0.264SS*.Hα-helixtrans-59.7-45.1-179.3-66.1-26.4000111.2N163 V168 E169N163-D165 VanDerWaalsContact C-N 3.35Å; N163-D165 PolarHBondContact O-N 3.22Å; N163-D165 PolarHBondContact OD1-N 3.42Å; D165-V168 PolarHBondContact O-N 3.33Å; D165-E169 WeakPolarHBondContact O-CG 3.4Å; D165-E169 PolarHBondContact O-N 3.14Å
166R98.8Very high98.6Very high111 Ų11149.8 Ų49.842%0.41927%0.27SS..Hα-helixtrans-65.5-40.1175.1-72.5-65-177.296.3-2.4112.8E129 N163 V164 V168 E169 F170E129-R166 PolarHBondContact O-NH1 3.2Å; N163-R166 HydrophobicContact CB-CB 4.15Å; N163-R166 HydrophobicContact CB-CG 4.4Å; N163-R166 VanDerWaalsContact CG-CG 3.47Å; N163-R166 VanDerWaalsContact ND2-CG 3.35Å; N163-R166 WeakPolarHBondContact ND2-CG 3.48Å; N163-R166 PolarHBondContact O-N 2.83Å; N163-R166 WeakPolarHBondContact OD1-CB 3.44Å; N163-R166 WeakPolarHBondContact OD1-CG 3.25Å; N163-R166 PolarHBondContact OD1-N 3.27Å; V164-R166 VanDerWaalsContact C-N 3.34Å; V164-R166 PolarHBondContact O-N 3.15Å; R166-V168 VanDerWaalsContact C-N 3.29Å; R166-V168 PolarHBondContact O-N 3.39Å; R166-E169 VanDerWaalsContact CD-OE2 3.3Å; R166-E169 WeakPolarHBondContact CD-OE2 3.42Å; R166-E169 IonicContact NE-OE2 3.67Å; R166-E169 PolarHBondContact O-N 2.87Å; R166-F170 PolarHBondContact O-N 3.38Å
167A98.9Very high98.6Very high0 Ų057.7 Ų57.70%030%0.304CS..Hα-helixtrans-61.4-41.1176.200000111.6G131 F133 N163 V164 F170 V171 F200G131-A167 WeakPolarHBondContact O-CA 3.49Å; F133-A167 HydrophobicContact CE2-CB 3.94Å; N163-A167 PolarHBondContact O-N 3.08Å; V164-A167 WeakPolarHBondContact O-CB 3.45Å; V164-A167 PolarHBondContact O-N 3.06Å; V164-A167 VanDerWaalsContact O-N 3.14Å; A167-F170 PolarHBondContact O-N 3.32Å; A167-V171 WeakPolarHBondContact O-CG2 3.49Å; A167-V171 PolarHBondContact O-N 3.34Å; A167-F200 HydrophobicContact CB-CE2 3.99Å; A167-F200 HydrophobicContact CB-CZ 3.66Å
168V98.9Very high98.6Very high8 Ų855.6 Ų55.65%0.04828%0.278CS..Hα-helixtrans-64.1-46.7175171.50000110.8V164 D165 R166 F170 V171 L172 F200 T204 Q206V164-V168 HydrophobicContact CG1-CG2 4.14Å; V164-V168 VanDerWaalsContact O-CG2 3.26Å; V164-V168 WeakPolarHBondContact O-CG2 3.28Å; V164-V168 PolarHBondContact O-N 2.95Å; D165-V168 PolarHBondContact O-N 3.33Å; R166-V168 VanDerWaalsContact C-N 3.29Å; R166-V168 PolarHBondContact O-N 3.39Å; V168-F170 VanDerWaalsContact C-N 3.32Å; V168-F170 PolarHBondContact O-N 3.31Å; V168-V171 PolarHBondContact O-N 3.29Å; V168-L172 HydrophobicContact CG1-CD1 3.6Å; V168-L172 HydrophobicContact CG1-CG 4.23Å; V168-L172 WeakPolarHBondContact O-CB 3.1Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.34Å; V168-L172 PolarHBondContact O-N 3.46Å; V168-F200 HydrophobicContact CB-CE1 4.37Å; V168-F200 HydrophobicContact CG2-CE1 3.75Å; V168-F200 HydrophobicContact CG2-CZ 4.09Å; V168-T204 HydrophobicContact CG2-CG2 4.34Å; V168-Q206 HydrophobicContact CG1-CB 4.37Å; V168-Q206 HydrophobicContact CG1-CG 3.86Å; V168-Q206 HydrophobicContact CG2-CG 3.79Å
169E98.9Very high98.6Very high114 Ų11452.2 Ų52.253%0.53327%0.265SS..Hα-helixtrans-54.7-46.6175.2-75.2175.8-171.300111.9D165 R166 L172 S173D165-E169 WeakPolarHBondContact O-CG 3.4Å; D165-E169 PolarHBondContact O-N 3.14Å; R166-E169 VanDerWaalsContact CD-OE2 3.3Å; R166-E169 WeakPolarHBondContact CD-OE2 3.42Å; R166-E169 IonicContact NE-OE2 3.67Å; R166-E169 PolarHBondContact O-N 2.87Å; E169-L172 PolarHBondContact O-N 3.05Å; E169-S173 PolarHBondContact O-N 3.13Å
170F98.9Very high98.6Very high7 Ų750.3 Ų50.33%0.03126%0.255CS..Hα-helixtrans-61.6-50.2177.3175.4-102.4000112.3S132 I141 T143 R166 A167 V168 L172 S173 C174 P185S132-F170 VanDerWaalsContact CB-CD2 3.48Å; S132-F170 VanDerWaalsContact CB-CE2 3.42Å; S132-F170 VanDerWaalsContact CB-CZ 3.45Å; I141-F170 HydrophobicContact CG2-CE1 4.33Å; I141-F170 HydrophobicContact CG2-CE2 4.22Å; I141-F170 HydrophobicContact CG2-CZ 3.61Å; T143-F170 HydrophobicContact CG2-CE1 4.05Å; R166-F170 PolarHBondContact O-N 3.38Å; A167-F170 PolarHBondContact O-N 3.32Å; V168-F170 VanDerWaalsContact C-N 3.32Å; V168-F170 PolarHBondContact O-N 3.31Å; F170-L172 VanDerWaalsContact C-N 3.32Å; F170-L172 PolarHBondContact O-N 2.87Å; F170-S173 WeakPolarHBondContact O-CB 3.45Å; F170-S173 PolarHBondContact O-N 3.06Å; F170-S173 VanDerWaalsContact O-N 3.14Å; F170-S173 PolarHBondContact O-OG 3.28Å; F170-C174 PolarHBondContact O-N 3.27Å; F170-C174 PolarHBondContact O-SG 3.26Å; F170-C174 VanDerWaalsContact O-SG 3.41Å; F170-P185 HydrophobicContact CE2-CG 4.18Å
171V98.9Very high98.7Very high0 Ų043.8 Ų43.80%022%0.22CC..Hα-helixtrans-60.7-42.7-179.2169.20000111A167 V168 S173 C174 F181 C197 F200 L201A167-V171 WeakPolarHBondContact O-CG2 3.49Å; A167-V171 PolarHBondContact O-N 3.34Å; V168-V171 PolarHBondContact O-N 3.29Å; V171-S173 VanDerWaalsContact C-N 3.31Å; V171-S173 PolarHBondContact O-N 3.32Å; V171-C174 VanDerWaalsContact O-CB 3.31Å; V171-C174 WeakPolarHBondContact O-CB 3.46Å; V171-C174 PolarHBondContact O-N 2.72Å; V171-F181 HydrophobicContact CG1-CE1 4.2Å; V171-F181 WeakPolarHBondContact O-CD1 3.45Å; V171-F181 WeakPolarHBondContact O-CE1 3.27Å; V171-C197 HydrophobicContact CG1-CB 3.97Å; V171-F200 HydrophobicContact CB-CD1 4.03Å; V171-F200 HydrophobicContact CB-CE1 4Å; V171-F200 HydrophobicContact CG1-CD1 3.93Å; V171-F200 HydrophobicContact CG1-CE1 4.38Å; V171-F200 HydrophobicContact CG1-CG 4.48Å; V171-F200 HydrophobicContact CG2-CD1 3.78Å; V171-F200 HydrophobicContact CG2-CD2 4.04Å; V171-F200 HydrophobicContact CG2-CE1 3.79Å; V171-F200 HydrophobicContact CG2-CE2 4Å; V171-F200 HydrophobicContact CG2-CG 3.96Å; V171-F200 HydrophobicContact CG2-CZ 3.91Å; V171-L201 HydrophobicContact CG1-CD2 4.45Å; V171-L201 HydrophobicContact CG1-CG 4.39Å
172L98.9Very high98.8Very high36 Ų3642.1 Ų42.119%0.18821%0.21CC..Hα-helixtrans-66.1-32.5177.4-67.3169.3000112.8V168 E169 F170 C174 M175 L201 Q209V168-L172 HydrophobicContact CG1-CD1 3.6Å; V168-L172 HydrophobicContact CG1-CG 4.23Å; V168-L172 WeakPolarHBondContact O-CB 3.1Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.34Å; V168-L172 PolarHBondContact O-N 3.46Å; E169-L172 PolarHBondContact O-N 3.05Å; F170-L172 VanDerWaalsContact C-N 3.32Å; F170-L172 PolarHBondContact O-N 2.87Å; L172-C174 PolarHBondContact O-N 3.24Å; L172-M175 HydrophobicContact CD2-CE 3.91Å; L172-M175 VanDerWaalsContact O-CB 3.22Å; L172-M175 WeakPolarHBondContact O-CB 3.34Å; L172-M175 PolarHBondContact O-N 3.35Å; L172-L201 HydrophobicContact CD2-CD1 4.42Å; L172-L201 HydrophobicContact CD2-CD2 4.13Å; L172-Q209 VanDerWaalsContact CD1-CD 3.44Å; L172-Q209 HydrophobicContact CD2-CB 3.91Å
173S98.8Very high98.8Very high64 Ų6442.8 Ų42.845%0.44822%0.216SC..Hα-helixtrans-66-13.6173.179.90000113.7E169 F170 V171 P185E169-S173 PolarHBondContact O-N 3.13Å; F170-S173 WeakPolarHBondContact O-CB 3.45Å; F170-S173 PolarHBondContact O-N 3.06Å; F170-S173 VanDerWaalsContact O-N 3.14Å; F170-S173 PolarHBondContact O-OG 3.28Å; V171-S173 VanDerWaalsContact C-N 3.31Å; V171-S173 PolarHBondContact O-N 3.32Å; S173-P185 WeakPolarHBondContact OG-CG 3.46Å
174C98.9Very high98.7Very high0 Ų044.1 Ų44.10%022%0.215CC..THydrogen-bonded Turntrans-90.3-0.9173-580000113.5T143 F170 V171 L172 F181 G182 R184 P185T143-C174 HydrophobicContact CG2-CB 3.85Å; T143-C174 VanDerWaalsContact CG2-SG 3.54Å; F170-C174 PolarHBondContact O-N 3.27Å; F170-C174 PolarHBondContact O-SG 3.26Å; F170-C174 VanDerWaalsContact O-SG 3.41Å; V171-C174 VanDerWaalsContact O-CB 3.31Å; V171-C174 WeakPolarHBondContact O-CB 3.46Å; V171-C174 PolarHBondContact O-N 2.72Å; L172-C174 PolarHBondContact O-N 3.24Å; C174-F181 HydrophobicContact CB-CD1 4.29Å; C174-F181 WeakPolarHBondContact O-CA 3.26Å; C174-G182 PolarHBondContact O-N 3.3Å; C174-R184 VanDerWaalsContact SG-C 3.53Å; C174-P185 VanDerWaalsContact SG-CD 3.52Å
175M98.9Very high98.7Very high60 Ų6045.9 Ų45.930%0.29623%0.227SC..BIsolated β-bridgetrans-72136176.4-169.1-172.3-6500110.9L172 G180 F181 L210L172-M175 HydrophobicContact CD2-CE 3.91Å; L172-M175 VanDerWaalsContact O-CB 3.22Å; L172-M175 WeakPolarHBondContact O-CB 3.34Å; L172-M175 PolarHBondContact O-N 3.35Å; M175-G180 CarbonylContact C-O 3.57Å; M175-G180 WeakPolarHBondContact CA-O 3.17Å; M175-F181 HydrophobicContact CB-CD1 4.12Å; M175-F181 HydrophobicContact CB-CE1 3.66Å; M175-F181 HydrophobicContact CB-CZ 4.07Å; M175-F181 HydrophobicContact CE-CE1 4.19Å; M175-F181 HydrophobicContact CE-CE2 4.48Å; M175-F181 HydrophobicContact CE-CZ 3.64Å; M175-F181 HydrophobicContact CG-CE1 4.17Å; M175-F181 HydrophobicContact CG-CZ 4.07Å; M175-L210 HydrophobicContact CE-CD2 3.73Å
176N98.8Very high98.7Very high34 Ų3444 Ų4418%0.18224%0.235CC..  trans-105.1173.4-174.7-72.2-45.9000113.1D178 G179 G180 S187 S189N176-D178 WeakPolarHBondContact CB-OD1 3.35Å; N176-D178 PolarHBondContact O-N 2.9Å; N176-D178 VanDerWaalsContact O-N 3.12Å; N176-G179 PolarHBondContact O-N 3.36Å; N176-G180 PolarHBondContact N-O 2.93Å; N176-S187 PolarHBondContact ND2-O 2.88Å; N176-S187 PolarHBondContact OD1-O 3.08Å; N176-S189 WeakPolarHBondContact CB-OG 3.42Å; N176-S189 PolarHBondContact ND2-N 3.33Å; N176-S189 PolarHBondContact ND2-OG 3.1Å
177F98.6Very high98.7Very high189 Ų18940.3 Ų40.383%0.82923%0.226SC*.THydrogen-bonded Turntrans-58.7-23.5178.577.5-85.7000114G179F177-G179 VanDerWaalsContact C-N 3.34Å
178D98.6Very high98.7Very high17 Ų1746.2 Ų46.29%0.09125%0.253CS..THydrogen-bonded Turntrans-94.610.317959.99.8000112.8N176 G180 S189 W218N176-D178 WeakPolarHBondContact CB-OD1 3.35Å; N176-D178 PolarHBondContact O-N 2.9Å; N176-D178 VanDerWaalsContact O-N 3.12Å; D178-G180 PolarHBondContact O-N 3.18Å; D178-G180 PolarHBondContact OD1-N 3.13Å; D178-S189 PolarHBondContact OD1-OG 3.31Å; D178-S189 WeakPolarHBondContact OD2-CB 3.41Å; D178-S189 PolarHBondContact OD2-OG 2.72Å; D178-W218 PolarHBondContact OD2-NE1 3.27Å
179G98.5Very high98.7Very high4 Ų446 Ų464%0.04125%0.252CS..SBendtrans74-5.2-176.800000114.2N176 F177N176-G179 PolarHBondContact O-N 3.36Å; F177-G179 VanDerWaalsContact C-N 3.34Å
180G98.8Very high98.7Very high0 Ų042.4 Ų42.40%024%0.235CC..  trans-82.1-177177.300000113.1M175 N176 D178 S189M175-G180 CarbonylContact C-O 3.57Å; M175-G180 WeakPolarHBondContact CA-O 3.17Å; N176-G180 PolarHBondContact N-O 2.93Å; D178-G180 PolarHBondContact O-N 3.18Å; D178-G180 PolarHBondContact OD1-N 3.13Å; G180-S189 VanDerWaalsContact C-OG 3.26Å; G180-S189 WeakPolarHBondContact CA-OG 3.2Å
181F98.9Very high98.7Very high0 Ų042 Ų420%023%0.234CC..BIsolated β-bridgetrans-134.5144.6-177.3-65.5-96.1000111.4V171 C174 M175 S189 H190 Q193 I194 C197 L201 L210V171-F181 HydrophobicContact CG1-CE1 4.2Å; V171-F181 WeakPolarHBondContact O-CD1 3.45Å; V171-F181 WeakPolarHBondContact O-CE1 3.27Å; C174-F181 HydrophobicContact CB-CD1 4.29Å; C174-F181 WeakPolarHBondContact O-CA 3.26Å; M175-F181 HydrophobicContact CB-CD1 4.12Å; M175-F181 HydrophobicContact CB-CE1 3.66Å; M175-F181 HydrophobicContact CB-CZ 4.07Å; M175-F181 HydrophobicContact CE-CE1 4.19Å; M175-F181 HydrophobicContact CE-CE2 4.48Å; M175-F181 HydrophobicContact CE-CZ 3.64Å; M175-F181 HydrophobicContact CG-CE1 4.17Å; M175-F181 HydrophobicContact CG-CZ 4.07Å; F181-S189 PolarHBondContact N-OG 3.4Å; F181-S189 WeakPolarHBondContact O-CA 3.35Å; F181-H190 PolarHBondContact O-N 3.12Å; F181-Q193 VanDerWaalsContact O-CB 3.27Å; F181-Q193 WeakPolarHBondContact O-CB 3.45Å; F181-I194 HydrophobicContact CB-CG1 4.46Å; F181-C197 HydrophobicContact CB-CB 3.8Å; F181-C197 WeakPolarHBondContact CB-SG 3.32Å; F181-C197 HydrophobicContact CD1-CB 3.66Å; F181-C197 HydrophobicContact CD2-CB 3.63Å; F181-C197 HydrophobicContact CE1-CB 4.08Å; F181-C197 HydrophobicContact CE2-CB 4.07Å; F181-C197 HydrophobicContact CG-CB 3.41Å; F181-C197 VanDerWaalsContact CG-CB 3.41Å; F181-C197 HydrophobicContact CZ-CB 4.26Å; F181-L201 HydrophobicContact CZ-CD1 3.9Å; F181-L210 HydrophobicContact CE2-CD2 3.63Å; F181-L210 HydrophobicContact CZ-CD2 3.52Å
182G98.7Very high98.7Very high0 Ų042.4 Ų42.40%024%0.237CC..  trans-108.3-173.7170.100000113.3T143 C174 E188T143-G182 WeakPolarHBondContact CG2-O 3.33Å; T143-G182 PolarHBondContact OG1-O 3.13Å; C174-G182 PolarHBondContact O-N 3.3Å; G182-E188 WeakPolarHBondContact CA-O 3.25Å
183C98.2Very high98.7Very high30 Ų3041.6 Ų41.620%0.20323%0.233CC..SBendtrans-67.8-34.4-179-66.40000113.5D142 T143 Q193D142-C183 CarbonylContact C-O 3.55Å; D142-C183 VanDerWaalsContact CA-O 3.31Å; D142-C183 WeakPolarHBondContact CA-O 3.35Å; D142-C183 PolarHBondContact OD2-SG 3.01Å; T143-C183 PolarHBondContact N-O 3.29Å; C183-Q193 HydrophobicContact CB-CG 4.49Å; C183-Q193 PolarHBondContact SG-NE2 2.79Å
184R98.4Very high98.7Very high106 Ų10638.6 Ų38.640%0.421%0.211SC..SBendtrans-149.5166.2-176.3-71.1-179.2-68.5-90.10.7108.7I141 C174 G186 S187I141-R184 HydrophobicContact CB-CG 4.36Å; I141-R184 HydrophobicContact CG2-CG 4.11Å; I141-R184 WeakPolarHBondContact O-CD 3.26Å; I141-R184 VanDerWaalsContact O-CG 3.27Å; I141-R184 WeakPolarHBondContact O-CG 3.33Å; I141-R184 PolarHBondContact O-NH1 3.09Å; C174-R184 VanDerWaalsContact SG-C 3.53Å; R184-G186 PolarHBondContact O-N 3.28Å; R184-S187 PolarHBondContact N-OG 2.81Å; R184-S187 WeakPolarHBondContact O-CB 3.37Å; R184-S187 PolarHBondContact O-N 2.97Å; R184-S187 PolarHBondContact O-OG 2.77Å
185P98.8Very high98.7Very high72 Ų7239.4 Ų39.447%0.46822%0.215SC..THydrogen-bonded Turntrans-51.6128.3177.9-29.438.3000112.2F170 S173 C174F170-P185 HydrophobicContact CE2-CG 4.18Å; S173-P185 WeakPolarHBondContact OG-CG 3.46Å; C174-P185 VanDerWaalsContact SG-CD 3.52Å
186G98.3Very high98.7Very high73 Ų7337.1 Ų37.175%0.75321%0.205SC*.THydrogen-bonded Turntrans812.2-17700000116.3R184R184-G186 PolarHBondContact O-N 3.28Å
187S98.6Very high98.7Very high33 Ų3335.6 Ų35.623%0.23120%0.196CC..PPolyproline II helixtrans-78.8144.8173.8-58.60000111.8N176 R184N176-S187 PolarHBondContact ND2-O 2.88Å; N176-S187 PolarHBondContact OD1-O 3.08Å; R184-S187 PolarHBondContact N-OG 2.81Å; R184-S187 WeakPolarHBondContact O-CB 3.37Å; R184-S187 PolarHBondContact O-N 2.97Å; R184-S187 PolarHBondContact O-OG 2.77Å
188E98.7Very high98.7Very high124 Ų12426.6 Ų26.658%0.57916%0.157SC*.PPolyproline II helixtrans-57.6143.5179.4-171.7-171-171.400112.5G182 R232G182-E188 WeakPolarHBondContact CA-O 3.25Å; E188-R232 IonicContact OE1-NH1 3.39Å; E188-R232 IonicContact OE2-CZ 3.97Å; E188-R232 IonicContact OE2-NH1 3.65Å; E188-R232 PolarHBondContact OE2-NH1 3.31Å; E188-R232 VanDerWaalsContact OE2-NH1 3.09Å
189S98.9Very high98.7Very high3 Ų325.8 Ų25.82%0.02115%0.153CC..PPolyproline II helixtrans-62.1131.9172.6-66.30000112.2N176 D178 G180 F181N176-S189 WeakPolarHBondContact CB-OG 3.42Å; N176-S189 PolarHBondContact ND2-N 3.33Å; N176-S189 PolarHBondContact ND2-OG 3.1Å; D178-S189 PolarHBondContact OD1-OG 3.31Å; D178-S189 WeakPolarHBondContact OD2-CB 3.41Å; D178-S189 PolarHBondContact OD2-OG 2.72Å; G180-S189 VanDerWaalsContact C-OG 3.26Å; G180-S189 WeakPolarHBondContact CA-OG 3.2Å; F181-S189 PolarHBondContact N-OG 3.4Å; F181-S189 WeakPolarHBondContact O-CA 3.35Å
190H98.8Very high98.8Very high38 Ų3825.6 Ų25.618%0.17615%0.151CC..  trans-146.8143.1178.1178.9-103.8000110.9F181 G192 Q193 I194 G231 Y241F181-H190 PolarHBondContact O-N 3.12Å; H190-G192 VanDerWaalsContact C-N 3.28Å; H190-G192 PolarHBondContact ND1-N 2.96Å; H190-G192 PolarHBondContact O-N 3.2Å; H190-G192 VanDerWaalsContact O-N 3.17Å; H190-Q193 PolarHBondContact ND1-OE1 2.98Å; H190-Q193 PolarHBondContact O-N 3.21Å; H190-I194 WeakPolarHBondContact O-CG1 3.28Å; H190-I194 PolarHBondContact O-N 3Å; H190-G231 PolarHBondContact CD2-O 2.95Å; H190-G231 VanDerWaalsContact CD2-O 3.24Å; H190-Y241 AromaticContact CE1-CE1 3.62Å; H190-Y241 AromaticContact NE2-CE1 3.37Å; H190-Y241 WeakPolarHBondContact NE2-CE1 3.45Å
191A98.8Very high98.8Very high0 Ų025.6 Ų25.60%015%0.151CC..Hα-helixtrans-54.8-39.4-172.700000113.8I194 Y195 G231 W244 V245A191-I194 PolarHBondContact O-N 3.47Å; A191-Y195 WeakPolarHBondContact O-CB 3.38Å; A191-Y195 PolarHBondContact O-N 3.15Å; A191-G231 WeakPolarHBondContact CB-O 3.49Å; A191-G231 PolarHBondContact N-O 2.97Å; A191-W244 HydrophobicContact CB-CB 4.4Å; A191-V245 HydrophobicContact CB-CG2 3.58Å
192G98.8Very high98.8Very high8 Ų825.7 Ų25.78%0.08215%0.151CC..Hα-helixtrans-65.4-41.3177.700000113H190 Y195 C196H190-G192 VanDerWaalsContact C-N 3.28Å; H190-G192 PolarHBondContact ND1-N 2.96Å; H190-G192 PolarHBondContact O-N 3.2Å; H190-G192 VanDerWaalsContact O-N 3.17Å; G192-Y195 PolarHBondContact O-N 2.69Å; G192-C196 PolarHBondContact O-N 3.01Å; G192-C196 VanDerWaalsContact O-N 3.13Å
193Q98.9Very high98.8Very high19 Ų1926.8 Ų26.89%0.08916%0.157CC..Hα-helixtrans-71-38.4177.3-8260.137.400111.2F181 C183 H190 C196 C197F181-Q193 VanDerWaalsContact O-CB 3.27Å; F181-Q193 WeakPolarHBondContact O-CB 3.45Å; C183-Q193 HydrophobicContact CB-CG 4.49Å; C183-Q193 PolarHBondContact SG-NE2 2.79Å; H190-Q193 PolarHBondContact ND1-OE1 2.98Å; H190-Q193 PolarHBondContact O-N 3.21Å; Q193-C196 PolarHBondContact O-N 3.13Å; Q193-C197 WeakPolarHBondContact O-CB 3.49Å; Q193-C197 PolarHBondContact O-N 3.39Å; Q193-C197 PolarHBondContact O-SG 3.37Å
194I98.9Very high98.8Very high0 Ų026.4 Ų26.40%015%0.154CC..Hα-helixtrans-61.3-45.5173.7-68.2163.6000110.5F181 H190 A191 C196 C197 T198 L215 W218 L219F181-I194 HydrophobicContact CB-CG1 4.46Å; H190-I194 WeakPolarHBondContact O-CG1 3.28Å; H190-I194 PolarHBondContact O-N 3Å; A191-I194 PolarHBondContact O-N 3.47Å; I194-C196 PolarHBondContact O-N 3.3Å; I194-C197 PolarHBondContact O-N 2.95Å; I194-T198 HydrophobicContact CG2-CG2 4.02Å; I194-T198 WeakPolarHBondContact O-CB 3.37Å; I194-T198 WeakPolarHBondContact O-CG2 3.45Å; I194-T198 PolarHBondContact O-N 3.04Å; I194-T198 PolarHBondContact O-OG1 3.06Å; I194-L215 HydrophobicContact CD1-CD1 4.06Å; I194-L215 HydrophobicContact CG1-CD1 4.37Å; I194-L215 HydrophobicContact CG2-CD1 3.92Å; I194-L215 HydrophobicContact CG2-CD2 4.17Å; I194-L215 HydrophobicContact CG2-CG 4.49Å; I194-W218 HydrophobicContact CD1-CD2 4.26Å; I194-W218 HydrophobicContact CD1-CE3 3.56Å; I194-W218 HydrophobicContact CD1-CH2 3.69Å; I194-W218 HydrophobicContact CD1-CZ2 4.33Å; I194-W218 HydrophobicContact CD1-CZ3 3.26Å; I194-L219 HydrophobicContact CD1-CD2 4.42Å; I194-L219 HydrophobicContact CG2-CD1 4.4Å; I194-L219 HydrophobicContact CG2-CD2 4.12Å
195Y98.9Very high98.8Very high17 Ų1723 Ų237%0.06715%0.152CC..Hα-helixtrans-55.2-51174.4170-97.2000111.5F147 A191 G192 C197 T198 G199 W243 W244 A247 S248 P311 V312F147-Y195 HydrophobicContact CE1-CE1 4.33Å; F147-Y195 HydrophobicContact CZ-CE1 4.27Å; A191-Y195 WeakPolarHBondContact O-CB 3.38Å; A191-Y195 PolarHBondContact O-N 3.15Å; G192-Y195 PolarHBondContact O-N 2.69Å; Y195-C197 PolarHBondContact O-N 3.47Å; Y195-T198 PolarHBondContact O-OG1 3.11Å; Y195-T198 VanDerWaalsContact O-OG1 3.13Å; Y195-G199 PolarHBondContact O-N 3.26Å; Y195-W243 HydrophobicContact CE2-CZ2 4.43Å; Y195-W243 AromaticContact CE2-NE1 3.89Å; Y195-W244 AromaticContact CD1-CD1 3.89Å; Y195-W244 HydrophobicContact CG-CB 4.35Å; Y195-W244 AromaticContact CG-CD1 3.78Å; Y195-W244 HydrophobicContact CG-CG 4.31Å; Y195-A247 HydrophobicContact CD2-CB 3.76Å; Y195-A247 HydrophobicContact CE2-CB 3.72Å; Y195-S248 VanDerWaalsContact CA-OG 3.31Å; Y195-S248 WeakPolarHBondContact CA-OG 3.23Å; Y195-S248 PolarHBondContact N-OG 2.88Å; Y195-P311 VanDerWaalsContact CE2-O 3.25Å; Y195-P311 WeakPolarHBondContact CE2-O 3.26Å; Y195-V312 PolarHBondContact OH-O 2.99Å; Y195-V312 VanDerWaalsContact OH-O 3.1Å
196C98.9Very high98.8Very high13 Ų1321.4 Ų21.49%0.08814%0.139CC..Hα-helixtrans-60.2-44.3177.4-720000113R144 F147 G192 Q193 I194 F200R144-C196 HydrophobicContact CG-CB 4.36Å; F147-C196 HydrophobicContact CB-CB 3.67Å; F147-C196 HydrophobicContact CD1-CB 4.48Å; F147-C196 WeakPolarHBondContact CD2-O 3.39Å; F147-C196 HydrophobicContact CG-CB 4.05Å; G192-C196 PolarHBondContact O-N 3.01Å; G192-C196 VanDerWaalsContact O-N 3.13Å; Q193-C196 PolarHBondContact O-N 3.13Å; I194-C196 PolarHBondContact O-N 3.3Å; C196-F200 VanDerWaalsContact O-CB 3.25Å; C196-F200 WeakPolarHBondContact O-CB 3.38Å; C196-F200 PolarHBondContact O-N 3.08Å
197C98.9Very high98.8Very high1 Ų118 Ų181%0.00710%0.103CC..Hα-helixtrans-71.6-41.8-177.7-63.80000112.4T143 V171 F181 Q193 I194 Y195 F200 L201T143-C197 VanDerWaalsContact CB-SG 3.56Å; V171-C197 HydrophobicContact CG1-CB 3.97Å; F181-C197 HydrophobicContact CB-CB 3.8Å; F181-C197 WeakPolarHBondContact CB-SG 3.32Å; F181-C197 HydrophobicContact CD1-CB 3.66Å; F181-C197 HydrophobicContact CD2-CB 3.63Å; F181-C197 HydrophobicContact CE1-CB 4.08Å; F181-C197 HydrophobicContact CE2-CB 4.07Å; F181-C197 HydrophobicContact CG-CB 3.41Å; F181-C197 VanDerWaalsContact CG-CB 3.41Å; F181-C197 HydrophobicContact CZ-CB 4.26Å; Q193-C197 WeakPolarHBondContact O-CB 3.49Å; Q193-C197 PolarHBondContact O-N 3.39Å; Q193-C197 PolarHBondContact O-SG 3.37Å; I194-C197 PolarHBondContact O-N 2.95Å; Y195-C197 PolarHBondContact O-N 3.47Å; C197-F200 WeakPolarHBondContact O-CB 3.15Å; C197-F200 PolarHBondContact O-N 3.4Å; C197-L201 WeakPolarHBondContact O-CB 3.5Å; C197-L201 VanDerWaalsContact O-CG 3.22Å; C197-L201 WeakPolarHBondContact O-CG 3.46Å; C197-L201 PolarHBondContact O-N 3.26Å
198T98.9Very high98.8Very high0 Ų022.9 Ų22.90%012%0.122CC..Hα-helixtrans-65.7-40.3174.656.90000111.7I194 Y195 L201 S202 L210 L215 I252I194-T198 HydrophobicContact CG2-CG2 4.02Å; I194-T198 WeakPolarHBondContact O-CB 3.37Å; I194-T198 WeakPolarHBondContact O-CG2 3.45Å; I194-T198 PolarHBondContact O-N 3.04Å; I194-T198 PolarHBondContact O-OG1 3.06Å; Y195-T198 PolarHBondContact O-OG1 3.11Å; Y195-T198 VanDerWaalsContact O-OG1 3.13Å; T198-L201 PolarHBondContact O-N 2.89Å; T198-S202 WeakPolarHBondContact O-CB 3.44Å; T198-S202 PolarHBondContact O-N 3.17Å; T198-L210 HydrophobicContact CG2-CD1 4.14Å; T198-L215 HydrophobicContact CG2-CD2 3.91Å; T198-I252 HydrophobicContact CG2-CG2 4.14Å
199G98.9Very high98.8Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-63.7-41.1173.100000112.7Y195 S202 L203Y195-G199 PolarHBondContact O-N 3.26Å; G199-S202 WeakPolarHBondContact O-CB 3.46Å; G199-S202 PolarHBondContact O-N 3.01Å; G199-L203 WeakPolarHBondContact O-CG 3.36Å; G199-L203 PolarHBondContact O-N 3.45Å
200F98.9Very high98.7Very high0 Ų021.8 Ų21.80%012%0.117CC..Hα-helixtrans-59.5-48.8172.9172.9-77.7000111.4S146 V150 A167 V168 V171 C196 C197 S202 L203 T204S146-F200 WeakPolarHBondContact O-CD2 3.07Å; V150-F200 HydrophobicContact CB-CD2 4.15Å; V150-F200 HydrophobicContact CB-CE2 4.3Å; V150-F200 HydrophobicContact CG1-CD2 3.64Å; V150-F200 HydrophobicContact CG1-CE2 3.31Å; V150-F200 HydrophobicContact CG1-CZ 4.19Å; V150-F200 HydrophobicContact CG2-CB 4.21Å; V150-F200 HydrophobicContact CG2-CD2 3.4Å; V150-F200 VanDerWaalsContact CG2-CD2 3.4Å; V150-F200 HydrophobicContact CG2-CE2 4.03Å; V150-F200 HydrophobicContact CG2-CG 4.07Å; A167-F200 HydrophobicContact CB-CE2 3.99Å; A167-F200 HydrophobicContact CB-CZ 3.66Å; V168-F200 HydrophobicContact CB-CE1 4.37Å; V168-F200 HydrophobicContact CG2-CE1 3.75Å; V168-F200 HydrophobicContact CG2-CZ 4.09Å; V171-F200 HydrophobicContact CB-CD1 4.03Å; V171-F200 HydrophobicContact CB-CE1 4Å; V171-F200 HydrophobicContact CG1-CD1 3.93Å; V171-F200 HydrophobicContact CG1-CE1 4.38Å; V171-F200 HydrophobicContact CG1-CG 4.48Å; V171-F200 HydrophobicContact CG2-CD1 3.78Å; V171-F200 HydrophobicContact CG2-CD2 4.04Å; V171-F200 HydrophobicContact CG2-CE1 3.79Å; V171-F200 HydrophobicContact CG2-CE2 4Å; V171-F200 HydrophobicContact CG2-CG 3.96Å; V171-F200 HydrophobicContact CG2-CZ 3.91Å; C196-F200 VanDerWaalsContact O-CB 3.25Å; C196-F200 WeakPolarHBondContact O-CB 3.38Å; C196-F200 PolarHBondContact O-N 3.08Å; C197-F200 WeakPolarHBondContact O-CB 3.15Å; C197-F200 PolarHBondContact O-N 3.4Å; F200-S202 VanDerWaalsContact C-N 3.28Å; F200-S202 PolarHBondContact O-N 2.89Å; F200-L203 PolarHBondContact O-N 3.37Å; F200-T204 HydrophobicContact CD1-CG2 4.45Å; F200-T204 HydrophobicContact CE1-CG2 4.02Å; F200-T204 HydrophobicContact CZ-CG2 4.04Å; F200-T204 WeakPolarHBondContact O-CG2 3.44Å; F200-T204 PolarHBondContact O-N 2.96Å; F200-T204 PolarHBondContact O-OG1 3.3Å
201L98.9Very high98.7Very high0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-68-30.9-178.9-67.8170.1000111.6V171 L172 F181 C197 T198 T204 G205 Q206 L207 L210V171-L201 HydrophobicContact CG1-CD2 4.45Å; V171-L201 HydrophobicContact CG1-CG 4.39Å; L172-L201 HydrophobicContact CD2-CD1 4.42Å; L172-L201 HydrophobicContact CD2-CD2 4.13Å; F181-L201 HydrophobicContact CZ-CD1 3.9Å; C197-L201 WeakPolarHBondContact O-CB 3.5Å; C197-L201 VanDerWaalsContact O-CG 3.22Å; C197-L201 WeakPolarHBondContact O-CG 3.46Å; C197-L201 PolarHBondContact O-N 3.26Å; T198-L201 PolarHBondContact O-N 2.89Å; L201-T204 WeakPolarHBondContact CA-OG1 3.4Å; L201-T204 PolarHBondContact O-OG1 3.48Å; L201-G205 PolarHBondContact O-N 3.5Å; L201-G205 VanDerWaalsContact O-N 3.1Å; L201-Q206 HydrophobicContact CB-CB 4.31Å; L201-Q206 HydrophobicContact CD2-CB 3.54Å; L201-Q206 PolarHBondContact O-N 3.05Å; L201-L207 HydrophobicContact CB-CD2 3.9Å; L201-L210 HydrophobicContact CD1-CD1 4.13Å; L201-L210 HydrophobicContact CD1-CD2 3.42Å; L201-L210 VanDerWaalsContact CD1-CD2 3.42Å; L201-L210 HydrophobicContact CD1-CG 3.86Å
202S98.9Very high98.7Very high2 Ų224.6 Ų24.61%0.01414%0.135CC..Hα-helixtrans-63.8-49.4170.5169.60000112T198 G199 F200 T204 G205 V312 P327 D328T198-S202 WeakPolarHBondContact O-CB 3.44Å; T198-S202 PolarHBondContact O-N 3.17Å; G199-S202 WeakPolarHBondContact O-CB 3.46Å; G199-S202 PolarHBondContact O-N 3.01Å; F200-S202 VanDerWaalsContact C-N 3.28Å; F200-S202 PolarHBondContact O-N 2.89Å; S202-T204 PolarHBondContact O-N 3.29Å; S202-G205 PolarHBondContact O-N 3.43Å; S202-V312 VanDerWaalsContact OG-CG2 3.28Å; S202-V312 WeakPolarHBondContact OG-CG2 2.99Å; S202-P327 WeakPolarHBondContact OG-CB 3.49Å; S202-D328 VanDerWaalsContact CB-O 3.29Å; S202-D328 WeakPolarHBondContact CB-O 3.43Å; S202-D328 PolarHBondContact O-N 2.86Å; S202-D328 PolarHBondContact OG-N 2.77Å; S202-D328 PolarHBondContact OG-O 3.43Å
203L98.8Very high98.7Very high23 Ų2328.2 Ų28.212%0.1215%0.152CC..Hα-helixtrans-67.3-22.1-179.9-69.9168.8000113.5F147 V150 A151 A154 G199 F200 V312 L313 L325 P327F147-L203 HydrophobicContact CE2-CD1 4.35Å; V150-L203 HydrophobicContact CG2-CB 4.41Å; V150-L203 HydrophobicContact CG2-CD1 3.98Å; A151-L203 HydrophobicContact CB-CD1 3.96Å; A154-L203 HydrophobicContact CB-CD2 3.94Å; G199-L203 WeakPolarHBondContact O-CG 3.36Å; G199-L203 PolarHBondContact O-N 3.45Å; F200-L203 PolarHBondContact O-N 3.37Å; L203-V312 HydrophobicContact CD1-CG1 4.06Å; L203-V312 HydrophobicContact CD2-CG1 4.1Å; L203-V312 HydrophobicContact CG-CG1 3.76Å; L203-L313 HydrophobicContact CD1-CD2 4.29Å; L203-L325 HydrophobicContact CD2-CD1 4.39Å; L203-L325 HydrophobicContact CD2-CD2 4.32Å; L203-P327 HydrophobicContact CD2-CB 4.12Å; L203-P327 HydrophobicContact CD2-CG 3.9Å
204T98.7Very high98.7Very high22 Ų2229.9 Ų29.914%0.13516%0.161CC..THydrogen-bonded Turntrans-101.8-0.2179.854.10000113.7V150 V164 V168 F200 L201 S202V150-T204 HydrophobicContact CG1-CG2 4.39Å; V164-T204 HydrophobicContact CG1-CG2 3.9Å; V168-T204 HydrophobicContact CG2-CG2 4.34Å; F200-T204 HydrophobicContact CD1-CG2 4.45Å; F200-T204 HydrophobicContact CE1-CG2 4.02Å; F200-T204 HydrophobicContact CZ-CG2 4.04Å; F200-T204 WeakPolarHBondContact O-CG2 3.44Å; F200-T204 PolarHBondContact O-N 2.96Å; F200-T204 PolarHBondContact O-OG1 3.3Å; L201-T204 WeakPolarHBondContact CA-OG1 3.4Å; L201-T204 PolarHBondContact O-OG1 3.48Å; S202-T204 PolarHBondContact O-N 3.29Å
205G98.4Very high98.7Very high36 Ų3630 Ų3037%0.37116%0.162SC..THydrogen-bonded Turntrans70.327.5-179.800000114.3L201 S202 H208L201-G205 PolarHBondContact O-N 3.5Å; L201-G205 VanDerWaalsContact O-N 3.1Å; S202-G205 PolarHBondContact O-N 3.43Å; G205-H208 PolarHBondContact O-ND1 3.48Å
206Q98.7Very high98.7Very high38 Ų3829.1 Ų29.118%0.17816%0.159CC..  trans-112.113.9-171.6-61.8-65.2-12.500113.8V168 L201 H208 Q209V168-Q206 HydrophobicContact CG1-CB 4.37Å; V168-Q206 HydrophobicContact CG1-CG 3.86Å; V168-Q206 HydrophobicContact CG2-CG 3.79Å; L201-Q206 HydrophobicContact CB-CB 4.31Å; L201-Q206 HydrophobicContact CD2-CB 3.54Å; L201-Q206 PolarHBondContact O-N 3.05Å; Q206-H208 PolarHBondContact O-N 3.07Å; Q206-H208 VanDerWaalsContact O-N 3.16Å; Q206-H208 PolarHBondContact OE1-CE1 3.49Å; Q206-Q209 WeakPolarHBondContact O-CB 3.1Å; Q206-Q209 PolarHBondContact O-N 2.82Å; Q206-Q209 VanDerWaalsContact O-N 3.09Å
207L98.8Very high98.7Very high0 Ų035.3 Ų35.30%018%0.18CC..G310 helixtrans-59.9-26.6178.9-69.2177.5000113.4L201 Q209 L210 I251 D328 L330L201-L207 HydrophobicContact CB-CD2 3.9Å; L207-Q209 PolarHBondContact O-N 3.1Å; L207-Q209 VanDerWaalsContact O-N 3.12Å; L207-L210 HydrophobicContact CD2-CD1 3.82Å; L207-L210 WeakPolarHBondContact O-CB 3.22Å; L207-L210 PolarHBondContact O-N 3.46Å; L207-I251 HydrophobicContact CD1-CG2 3.88Å; L207-I251 HydrophobicContact CD2-CG2 3.62Å; L207-I251 HydrophobicContact CG-CG2 4.43Å; L207-D328 HydrophobicContact CD1-CB 4.28Å; L207-D328 VanDerWaalsContact CD1-O 3.24Å; L207-D328 WeakPolarHBondContact CD1-O 3.38Å; L207-L330 HydrophobicContact CB-CD1 4.33Å; L207-L330 HydrophobicContact CB-CD2 3.8Å; L207-L330 HydrophobicContact CB-CG 3.96Å; L207-L330 HydrophobicContact CD1-CD2 4.43Å; L207-L330 HydrophobicContact CD1-CG 4.17Å
208H98.3Very high98.7Very high136 Ų13636.1 Ų36.163%0.6318%0.183SC*.G310 helixtrans-62.3-15.7176.868.2-88.7000113.9G205 Q206 L210G205-H208 PolarHBondContact O-ND1 3.48Å; Q206-H208 PolarHBondContact O-N 3.07Å; Q206-H208 VanDerWaalsContact O-N 3.16Å; Q206-H208 PolarHBondContact OE1-CE1 3.49Å; H208-L210 VanDerWaalsContact C-N 3.29Å
209Q98.4Very high98.7Very high86 Ų8636.1 Ų36.140%0.40218%0.183SC..G310 helixtrans-81.1-10.7175.5-57.6-152.451.900113L172 Q206 L207L172-Q209 VanDerWaalsContact CD1-CD 3.44Å; L172-Q209 HydrophobicContact CD2-CB 3.91Å; Q206-Q209 WeakPolarHBondContact O-CB 3.1Å; Q206-Q209 PolarHBondContact O-N 2.82Å; Q206-Q209 VanDerWaalsContact O-N 3.09Å; L207-Q209 PolarHBondContact O-N 3.1Å; L207-Q209 VanDerWaalsContact O-N 3.12Å
210L98.1Very high98.7Very high19 Ų1937.2 Ų37.210%0.09919%0.191CC..SBendtrans-81.7140.8179-61.4-179.6000111.7M175 F181 T198 L201 L207 H208 A212 I252M175-L210 HydrophobicContact CE-CD2 3.73Å; F181-L210 HydrophobicContact CE2-CD2 3.63Å; F181-L210 HydrophobicContact CZ-CD2 3.52Å; T198-L210 HydrophobicContact CG2-CD1 4.14Å; L201-L210 HydrophobicContact CD1-CD1 4.13Å; L201-L210 HydrophobicContact CD1-CD2 3.42Å; L201-L210 VanDerWaalsContact CD1-CD2 3.42Å; L201-L210 HydrophobicContact CD1-CG 3.86Å; L207-L210 HydrophobicContact CD2-CD1 3.82Å; L207-L210 WeakPolarHBondContact O-CB 3.22Å; L207-L210 PolarHBondContact O-N 3.46Å; H208-L210 VanDerWaalsContact C-N 3.29Å; L210-A212 VanDerWaalsContact C-N 3.32Å; L210-A212 PolarHBondContact O-N 3.07Å; L210-A212 VanDerWaalsContact O-N 3.12Å; L210-I252 HydrophobicContact CD1-CG2 3.79Å
211N98.2Very high98.7Very high87 Ų8742 Ų4247%0.46521%0.213SC..  trans-79.885.9156.7-172.5-21.9000109D213 L214 L215N211-D213 PolarHBondContact O-N 3.23Å; N211-D213 PolarHBondContact OD1-N 2.92Å; N211-L214 HydrophobicContact CB-CB 4.03Å; N211-L214 VanDerWaalsContact CG-CB 3.43Å; N211-L214 PolarHBondContact O-N 3.11Å; N211-L214 WeakPolarHBondContact OD1-CB 3.12Å; N211-L214 PolarHBondContact OD1-N 3.37Å; N211-L214 VanDerWaalsContact OD1-N 3.08Å; N211-L215 PolarHBondContact O-N 3.13Å
212A98.6Very high98.7Very high10 Ų1043 Ų438%0.08322%0.217CC..Hα-helixtrans-59-32.4-175.300000113.5L210 G216 I252 L330L210-A212 VanDerWaalsContact C-N 3.32Å; L210-A212 PolarHBondContact O-N 3.07Å; L210-A212 VanDerWaalsContact O-N 3.12Å; A212-G216 WeakPolarHBondContact O-CA 3.1Å; A212-G216 PolarHBondContact O-N 2.93Å; A212-I252 HydrophobicContact CB-CB 4.25Å; A212-L330 HydrophobicContact CB-CD1 3.92Å
213D98.8Very high98.7Very high83 Ų8345 Ų4544%0.44423%0.226SC..Hα-helixtrans-75.4-42.6179.5-70.8-17.9000111.9N211 G216 W217 R254 W257N211-D213 PolarHBondContact O-N 3.23Å; N211-D213 PolarHBondContact OD1-N 2.92Å; D213-G216 PolarHBondContact O-N 3.1Å; D213-W217 WeakPolarHBondContact O-CB 3.29Å; D213-W217 PolarHBondContact O-N 3.34Å; D213-R254 IonicContact OD1-CZ 3.89Å; D213-R254 IonicContact OD1-NE 3.85Å; D213-R254 PolarHBondContact OD1-NE 3.2Å; D213-R254 IonicContact OD1-NH2 3.2Å; D213-R254 PolarHBondContact OD1-NH2 2.61Å; D213-W257 HydrophobicContact CB-CH2 3.98Å; D213-W257 VanDerWaalsContact O-CZ3 3.28Å; D213-W257 WeakPolarHBondContact O-CZ3 3.39Å
214L98.8Very high98.7Very high55 Ų5544.7 Ų44.729%0.28822%0.224SC..Hα-helixtrans-63.7-48.8176.717962.4000111.3N211 W217 W218N211-L214 HydrophobicContact CB-CB 4.03Å; N211-L214 VanDerWaalsContact CG-CB 3.43Å; N211-L214 PolarHBondContact O-N 3.11Å; N211-L214 WeakPolarHBondContact OD1-CB 3.12Å; N211-L214 PolarHBondContact OD1-N 3.37Å; N211-L214 VanDerWaalsContact OD1-N 3.08Å; L214-W217 HydrophobicContact CD1-CE3 4.35Å; L214-W217 PolarHBondContact O-N 3.22Å; L214-W218 PolarHBondContact O-N 3.3Å; L214-W218 VanDerWaalsContact O-N 3.16Å
215L98.9Very high98.6Very high1 Ų147.5 Ų47.51%0.00524%0.243CC..Hα-helixtrans-65.3-41.2177.2178.654.7000111.4I194 T198 N211 W217 W218 L219 I252I194-L215 HydrophobicContact CD1-CD1 4.06Å; I194-L215 HydrophobicContact CG1-CD1 4.37Å; I194-L215 HydrophobicContact CG2-CD1 3.92Å; I194-L215 HydrophobicContact CG2-CD2 4.17Å; I194-L215 HydrophobicContact CG2-CG 4.49Å; T198-L215 HydrophobicContact CG2-CD2 3.91Å; N211-L215 PolarHBondContact O-N 3.13Å; L215-W217 PolarHBondContact O-N 3.03Å; L215-W218 PolarHBondContact O-N 3.07Å; L215-L219 HydrophobicContact CD1-CD1 4.06Å; L215-L219 HydrophobicContact CD1-CG 4.1Å; L215-L219 HydrophobicContact CG-CD1 3.84Å; L215-L219 HydrophobicContact CG-CG 4.37Å; L215-L219 WeakPolarHBondContact O-CB 3.22Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.23Å; L215-L219 PolarHBondContact O-N 3.2Å; L215-I252 HydrophobicContact CB-CD1 4.19Å; L215-I252 HydrophobicContact CD2-CD1 4.14Å; L215-I252 HydrophobicContact CD2-CG2 4.44Å; L215-I252 HydrophobicContact CG-CD1 3.92Å
216G98.9Very high98.6Very high0 Ų046.7 Ų46.70%023%0.231CC..Hα-helixtrans-56.5-39.1175.100000112.2A212 D213 L219 C220 W257A212-G216 WeakPolarHBondContact O-CA 3.1Å; A212-G216 PolarHBondContact O-N 2.93Å; D213-G216 PolarHBondContact O-N 3.1Å; G216-L219 PolarHBondContact O-N 3.3Å; G216-C220 WeakPolarHBondContact O-CB 3.32Å; G216-C220 PolarHBondContact O-N 3.32Å; G216-C220 PolarHBondContact O-SG 2.94Å; G216-W257 VanDerWaalsContact C-CZ3 3.43Å
217W98.9Very high98.6Very high142 Ų14244.9 Ų44.954%0.53822%0.223SC..Hα-helixtrans-67.9-47.5178.1172.960.3000110.9D213 L214 L215 L219 C220 E221 W257D213-W217 WeakPolarHBondContact O-CB 3.29Å; D213-W217 PolarHBondContact O-N 3.34Å; L214-W217 HydrophobicContact CD1-CE3 4.35Å; L214-W217 PolarHBondContact O-N 3.22Å; L215-W217 PolarHBondContact O-N 3.03Å; W217-L219 PolarHBondContact O-N 3.19Å; W217-C220 PolarHBondContact O-N 3.05Å; W217-C220 PolarHBondContact O-SG 3.17Å; W217-E221 PolarHBondContact NE1-OE1 2.81Å; W217-E221 WeakPolarHBondContact O-CB 3.31Å; W217-E221 WeakPolarHBondContact O-CG 3.28Å; W217-E221 PolarHBondContact O-N 3.37Å; W217-E221 VanDerWaalsContact O-N 3.09Å; W217-W257 HydrophobicContact CB-CZ3 4.17Å; W217-W257 VanDerWaalsContact N-CZ3 3.3Å
218W98.9Very high98.6Very high18 Ų1844.9 Ų44.97%0.06822%0.223CC..Hα-helixtrans-56.9-40.7176.2-173.6100.2000112.4D178 I194 L214 L215 R222 G231 R232D178-W218 PolarHBondContact OD2-NE1 3.27Å; I194-W218 HydrophobicContact CD1-CD2 4.26Å; I194-W218 HydrophobicContact CD1-CE3 3.56Å; I194-W218 HydrophobicContact CD1-CH2 3.69Å; I194-W218 HydrophobicContact CD1-CZ2 4.33Å; I194-W218 HydrophobicContact CD1-CZ3 3.26Å; L214-W218 PolarHBondContact O-N 3.3Å; L214-W218 VanDerWaalsContact O-N 3.16Å; L215-W218 PolarHBondContact O-N 3.07Å; W218-R222 HydrophobicContact CE3-CG 4.31Å; W218-R222 HydrophobicContact CZ3-CG 4Å; W218-R222 PolarHBondContact O-NE 2.97Å; W218-R222 VanDerWaalsContact O-NE 3.1Å; W218-G231 WeakPolarHBondContact CH2-O 3.39Å; W218-R232 HydrophobicContact CH2-CB 4.49Å; W218-R232 HydrophobicContact CZ2-CB 4.35Å
219L98.9Very high98.6Very high0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-70.6-44.8179.4-74.3169000112.6I194 L215 G216 W217 E221 R222 V245 L249 I252I194-L219 HydrophobicContact CD1-CD2 4.42Å; I194-L219 HydrophobicContact CG2-CD1 4.4Å; I194-L219 HydrophobicContact CG2-CD2 4.12Å; L215-L219 HydrophobicContact CD1-CD1 4.06Å; L215-L219 HydrophobicContact CD1-CG 4.1Å; L215-L219 HydrophobicContact CG-CD1 3.84Å; L215-L219 HydrophobicContact CG-CG 4.37Å; L215-L219 WeakPolarHBondContact O-CB 3.22Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.23Å; L215-L219 PolarHBondContact O-N 3.2Å; G216-L219 PolarHBondContact O-N 3.3Å; W217-L219 PolarHBondContact O-N 3.19Å; L219-E221 VanDerWaalsContact C-N 3.29Å; L219-E221 PolarHBondContact O-N 3.34Å; L219-R222 WeakPolarHBondContact O-CB 3.39Å; L219-R222 VanDerWaalsContact O-CG 3.26Å; L219-R222 WeakPolarHBondContact O-CG 3.38Å; L219-R222 PolarHBondContact O-N 3.44Å; L219-V245 HydrophobicContact CB-CG1 4.03Å; L219-V245 HydrophobicContact CD2-CB 4.26Å; L219-V245 HydrophobicContact CD2-CG1 3.85Å; L219-V245 HydrophobicContact CD2-CG2 4.18Å; L219-V245 WeakPolarHBondContact O-CG1 3.35Å; L219-L249 HydrophobicContact CB-CD1 4.39Å; L219-L249 HydrophobicContact CB-CD2 3.57Å; L219-L249 HydrophobicContact CB-CG 3.82Å; L219-L249 HydrophobicContact CD1-CD2 3.97Å; L219-L249 HydrophobicContact CD1-CG 4.08Å; L219-L249 HydrophobicContact CG-CD2 4.44Å; L219-I252 HydrophobicContact CD1-CD1 3.79Å
220C98.8Very high98.7Very high24 Ų2434.4 Ų34.416%0.16217%0.174CC..Hα-helixtrans-68.7-30.7-179.772.70000112.3G216 W217 R222 Q223 W257 I258G216-C220 WeakPolarHBondContact O-CB 3.32Å; G216-C220 PolarHBondContact O-N 3.32Å; G216-C220 PolarHBondContact O-SG 2.94Å; W217-C220 PolarHBondContact O-N 3.05Å; W217-C220 PolarHBondContact O-SG 3.17Å; C220-R222 PolarHBondContact O-N 2.67Å; C220-R222 VanDerWaalsContact O-N 3.09Å; C220-Q223 WeakPolarHBondContact O-CB 3.48Å; C220-Q223 PolarHBondContact O-N 3.38Å; C220-W257 HydrophobicContact CB-CB 3.79Å; C220-I258 HydrophobicContact CB-CG2 3.95Å
221E98.8Very high98.7Very high100 Ų10033.5 Ų33.547%0.46717%0.17SC..THydrogen-bonded Turntrans-67-4.9172.4-67.8-71.8179.400113.2W217 L219W217-E221 PolarHBondContact NE1-OE1 2.81Å; W217-E221 WeakPolarHBondContact O-CB 3.31Å; W217-E221 WeakPolarHBondContact O-CG 3.28Å; W217-E221 PolarHBondContact O-N 3.37Å; W217-E221 VanDerWaalsContact O-N 3.09Å; L219-E221 VanDerWaalsContact C-N 3.29Å; L219-E221 PolarHBondContact O-N 3.34Å
222R98.8Very high98.7Very high21 Ų2133 Ų338%0.07916%0.161CC..THydrogen-bonded Turntrans-71.2-19.1168.6-57.3-55.489.1-106.7-7.9113W218 L219 C220 L224 L229 N230 V245W218-R222 HydrophobicContact CE3-CG 4.31Å; W218-R222 HydrophobicContact CZ3-CG 4Å; W218-R222 PolarHBondContact O-NE 2.97Å; W218-R222 VanDerWaalsContact O-NE 3.1Å; L219-R222 WeakPolarHBondContact O-CB 3.39Å; L219-R222 VanDerWaalsContact O-CG 3.26Å; L219-R222 WeakPolarHBondContact O-CG 3.38Å; L219-R222 PolarHBondContact O-N 3.44Å; C220-R222 PolarHBondContact O-N 2.67Å; C220-R222 VanDerWaalsContact O-N 3.09Å; R222-L224 PolarHBondContact O-N 3.21Å; R222-L229 HydrophobicContact CB-CB 4.17Å; R222-L229 VanDerWaalsContact O-CA 3.31Å; R222-L229 WeakPolarHBondContact O-CA 3.49Å; R222-N230 WeakPolarHBondContact CB-O 3.36Å; R222-N230 WeakPolarHBondContact CD-O 3.17Å; R222-N230 WeakPolarHBondContact CD-OD1 3.45Å; R222-N230 WeakPolarHBondContact CG-O 3.39Å; R222-N230 PolarHBondContact NH1-OD1 2.89Å; R222-N230 PolarHBondContact O-N 2.89Å; R222-N230 PolarHBondContact O-OD1 2.75Å; R222-V245 HydrophobicContact CB-CG1 4.22Å; R222-V245 HydrophobicContact CB-CG2 4.12Å; R222-V245 HydrophobicContact CG-CG1 4.31Å; R222-V245 HydrophobicContact CG-CG2 3.89Å
223Q98.8Very high98.7Very high44 Ų4435.3 Ų35.321%0.20618%0.175CC..BIsolated β-bridgetrans-73121179.7-166.8165.942.300112.2C220 G227 L229 D259C220-Q223 WeakPolarHBondContact O-CB 3.48Å; C220-Q223 PolarHBondContact O-N 3.38Å; Q223-G227 PolarHBondContact NE2-O 3.08Å; Q223-G227 VanDerWaalsContact NE2-O 3.11Å; Q223-L229 VanDerWaalsContact CA-CD2 3.4Å; Q223-L229 HydrophobicContact CB-CD2 3.39Å; Q223-L229 HydrophobicContact CG-CD2 3.7Å; Q223-D259 PolarHBondContact NE2-O 3.45Å
224L98.6Very high98.6Very high16 Ų1636.7 Ų36.78%0.08418%0.179CC..  trans-94.3164.8177.5-65.4175.3000111.5L5 K6 D7 R222 S226 G227 G228 N230 P237L5-L224 HydrophobicContact CD1-CD2 4.38Å; L5-L224 HydrophobicContact CD2-CD2 4.45Å; K6-L224 WeakPolarHBondContact O-CD1 3.3Å; D7-L224 HydrophobicContact CB-CB 4.42Å; D7-L224 HydrophobicContact CB-CD1 4.39Å; D7-L224 WeakPolarHBondContact OD1-CB 3.4Å; R222-L224 PolarHBondContact O-N 3.21Å; L224-S226 PolarHBondContact O-N 3.34Å; L224-S226 VanDerWaalsContact O-N 3.13Å; L224-G227 WeakPolarHBondContact O-CA 3.42Å; L224-G227 PolarHBondContact O-N 3.13Å; L224-G228 PolarHBondContact N-O 2.95Å; L224-N230 HydrophobicContact CD1-CB 4.24Å; L224-P237 HydrophobicContact CD1-CB 4Å; L224-P237 VanDerWaalsContact CD1-CD 3.47Å; L224-P237 HydrophobicContact CD1-CG 3.96Å
225P98.4Very high98.5Very high82 Ų8238.2 Ų38.253%0.53218%0.183SC..THydrogen-bonded Turntrans-50.5-35.2179.3-30.935.5000115.7L5 D7 G227 K262L5-P225 HydrophobicContact CD2-CG 3.63Å; D7-P225 WeakPolarHBondContact OD2-CB 3.35Å; D7-P225 WeakPolarHBondContact OD2-CD 3.38Å; P225-G227 PolarHBondContact O-N 3.4Å; P225-K262 PolarHBondContact O-NZ 3.28Å
226S98.1Very high98.5Very high18 Ų1841.7 Ų41.713%0.12620%0.202CC..THydrogen-bonded Turntrans-59.6-23.6173.663.80000113.9D7 V8 I10 L224 G228D7-S226 WeakPolarHBondContact OD1-CB 3Å; D7-S226 PolarHBondContact OD1-OG 2.89Å; D7-S226 WeakPolarHBondContact OD2-CB 3.43Å; D7-S226 PolarHBondContact OD2-N 3.41Å; V8-S226 WeakPolarHBondContact O-CB 3.21Å; I10-S226 VanDerWaalsContact CD1-O 3.26Å; I10-S226 WeakPolarHBondContact CD1-O 3.25Å; L224-S226 PolarHBondContact O-N 3.34Å; L224-S226 VanDerWaalsContact O-N 3.13Å; S226-G228 PolarHBondContact OG-N 2.87Å
227G98.6Very high98.4Very high0 Ų041.7 Ų41.70%020%0.202CC..SBendtrans103.7-22-176.500000114.1Q223 L224 P225 L263Q223-G227 PolarHBondContact NE2-O 3.08Å; Q223-G227 VanDerWaalsContact NE2-O 3.11Å; L224-G227 WeakPolarHBondContact O-CA 3.42Å; L224-G227 PolarHBondContact O-N 3.13Å; P225-G227 PolarHBondContact O-N 3.4Å; G227-L263 WeakPolarHBondContact O-CA 3.26Å; G227-L263 WeakPolarHBondContact O-CD1 3.28Å
228G98.7Very high98.4Very high0 Ų035.5 Ų35.50%018%0.179CC..  trans-72157.2177.600000112.8L224 S226L224-G228 PolarHBondContact N-O 2.95Å; S226-G228 PolarHBondContact OG-N 2.87Å
229L98.8Very high98.4Very high0 Ų034.7 Ų34.70%018%0.176CC..BIsolated β-bridgetrans-105.3138.6179-43178.4000110R222 Q223 P237 D238 S242 V245 I258 L263R222-L229 HydrophobicContact CB-CB 4.17Å; R222-L229 VanDerWaalsContact O-CA 3.31Å; R222-L229 WeakPolarHBondContact O-CA 3.49Å; Q223-L229 VanDerWaalsContact CA-CD2 3.4Å; Q223-L229 HydrophobicContact CB-CD2 3.39Å; Q223-L229 HydrophobicContact CG-CD2 3.7Å; L229-P237 WeakPolarHBondContact O-CA 3.47Å; L229-D238 PolarHBondContact O-N 3.35Å; L229-S242 PolarHBondContact N-OG 3Å; L229-S242 VanDerWaalsContact N-OG 3.11Å; L229-V245 HydrophobicContact CB-CB 4.35Å; L229-V245 HydrophobicContact CB-CG2 4.42Å; L229-V245 HydrophobicContact CD1-CB 3.69Å; L229-V245 HydrophobicContact CD1-CG1 3.6Å; L229-I258 HydrophobicContact CD2-CG2 4.49Å; L229-L263 HydrophobicContact CD1-CD1 4.43Å; L229-L263 HydrophobicContact CD1-CD2 3.84Å; L229-L263 HydrophobicContact CD2-CD1 4.47Å; L229-L263 HydrophobicContact CG-CD1 3.93Å; L229-L263 HydrophobicContact CG-CD2 4.19Å
230N98.8Very high98.4Very high3 Ų335 Ų352%0.01618%0.178CC..BIsolated β-bridgetrans-99.2163.7173.167.411.9000112.5R222 L224 R232 K235 L236R222-N230 WeakPolarHBondContact CB-O 3.36Å; R222-N230 WeakPolarHBondContact CD-O 3.17Å; R222-N230 WeakPolarHBondContact CD-OD1 3.45Å; R222-N230 WeakPolarHBondContact CG-O 3.39Å; R222-N230 PolarHBondContact NH1-OD1 2.89Å; R222-N230 PolarHBondContact O-N 2.89Å; R222-N230 PolarHBondContact O-OD1 2.75Å; L224-N230 HydrophobicContact CD1-CB 4.24Å; N230-R232 VanDerWaalsContact CG-O 3.3Å; N230-R232 PolarHBondContact ND2-O 3.5Å; N230-R232 PolarHBondContact OD1-O 3.32Å; N230-K235 HydrophobicContact CB-CB 4.17Å; N230-K235 WeakPolarHBondContact CB-O 3.36Å; N230-K235 PolarHBondContact ND2-O 3.49Å; N230-L236 WeakPolarHBondContact CB-O 3.22Å
231G98.3Very high98.4Very high0 Ų036.6 Ų36.60%018%0.181CC..SBendtrans-78.9-18.6-174.500000115.3H190 A191 W218 Y241H190-G231 PolarHBondContact CD2-O 2.95Å; H190-G231 VanDerWaalsContact CD2-O 3.24Å; A191-G231 WeakPolarHBondContact CB-O 3.49Å; A191-G231 PolarHBondContact N-O 2.97Å; W218-G231 WeakPolarHBondContact CH2-O 3.39Å; G231-Y241 VanDerWaalsContact N-CD2 3.25Å
232R98.4Very high98.4Very high76 Ų7631.9 Ų31.929%0.28716%0.159SC..SBendtrans-171.6166.7179.257.7-179.7177.1125.4-4.6109.3E188 W218 N230 K235E188-R232 IonicContact OE1-NH1 3.39Å; E188-R232 IonicContact OE2-CZ 3.97Å; E188-R232 IonicContact OE2-NH1 3.65Å; E188-R232 PolarHBondContact OE2-NH1 3.31Å; E188-R232 VanDerWaalsContact OE2-NH1 3.09Å; W218-R232 HydrophobicContact CH2-CB 4.49Å; W218-R232 HydrophobicContact CZ2-CB 4.35Å; N230-R232 VanDerWaalsContact CG-O 3.3Å; N230-R232 PolarHBondContact ND2-O 3.5Å; N230-R232 PolarHBondContact OD1-O 3.32Å; R232-K235 HydrophobicContact CG-CG 3.75Å; R232-K235 VanDerWaalsContact NH2-CE 3.27Å
233P98.3Very high98.4Very high59 Ų5930.9 Ų30.938%0.38316%0.156SC..THydrogen-bonded Turntrans-51148.9178.7-28.836.8000113.7K235P233-K235 VanDerWaalsContact C-N 3.26Å; P233-K235 PolarHBondContact O-N 3.32Å
234E96.5Very high98.4Very high111 Ų11130.9 Ų30.952%0.51915%0.154SC..THydrogen-bonded Turntrans63.621.5175.7-57.1-62.7136.100115.9K6K6-E234 WeakPolarHBondContact CD-O 3.4Å; K6-E234 PolarHBondContact NZ-O 2.88Å
235K97.4Very high98.4Very high87 Ų8730.1 Ų30.138%0.37815%0.15SC..  trans-111.4157.5172.9-65.3-63.4-174.6173.60112.2N230 R232 P233N230-K235 HydrophobicContact CB-CB 4.17Å; N230-K235 WeakPolarHBondContact CB-O 3.36Å; N230-K235 PolarHBondContact ND2-O 3.49Å; R232-K235 HydrophobicContact CG-CG 3.75Å; R232-K235 VanDerWaalsContact NH2-CE 3.27Å; P233-K235 VanDerWaalsContact C-N 3.26Å; P233-K235 PolarHBondContact O-N 3.32Å
236L98.1Very high98.5Very high74 Ų7426.2 Ų26.239%0.38712%0.124SC..  trans-68.5153.6171.6-72.5171.2000110.6K6 V8 N230K6-L236 HydrophobicContact CB-CD2 4.11Å; V8-L236 HydrophobicContact CG1-CD2 4.41Å; N230-L236 WeakPolarHBondContact CB-O 3.22Å
237P98.5Very high98.5Very high0 Ų025.4 Ų25.40%012%0.118CC..BIsolated β-bridgetrans-69.9155.5172.231.3-31.2000110.5V8 L224 L229 F266 R281V8-P237 HydrophobicContact CB-CG 4.48Å; V8-P237 HydrophobicContact CG1-CG 4.01Å; V8-P237 HydrophobicContact CG2-CG 3.87Å; L224-P237 HydrophobicContact CD1-CB 4Å; L224-P237 VanDerWaalsContact CD1-CD 3.47Å; L224-P237 HydrophobicContact CD1-CG 3.96Å; L229-P237 WeakPolarHBondContact O-CA 3.47Å; P237-F266 HydrophobicContact CB-CE2 3.89Å; P237-F266 HydrophobicContact CB-CZ 3.85Å; P237-F266 HydrophobicContact CG-CE2 3.8Å; P237-F266 HydrophobicContact CG-CZ 4.17Å; P237-R281 VanDerWaalsContact O-CD 3.26Å; P237-R281 WeakPolarHBondContact O-CD 3.26Å; P237-R281 WeakPolarHBondContact O-CG 3.4Å
238D98.6Very high98.5Very high12 Ų1225.4 Ų25.46%0.06412%0.118CC..  trans-152.3144.6-178.1-164.4-49.9000109.6L229 C240 Y241 S242 D280 R281 H290L229-D238 PolarHBondContact O-N 3.35Å; D238-C240 VanDerWaalsContact C-N 3.29Å; D238-C240 PolarHBondContact O-N 2.82Å; D238-C240 PolarHBondContact OD1-N 2.89Å; D238-C240 PolarHBondContact OD1-SG 3.43Å; D238-Y241 HydrophobicContact CB-CD2 3.23Å; D238-Y241 HydrophobicContact CB-CE2 3.76Å; D238-Y241 HydrophobicContact CB-CG 3.98Å; D238-Y241 PolarHBondContact O-N 3.48Å; D238-S242 VanDerWaalsContact O-CB 3.28Å; D238-S242 WeakPolarHBondContact O-CB 3.34Å; D238-S242 PolarHBondContact O-N 3.33Å; D238-S242 PolarHBondContact O-OG 3.12Å; D238-D280 CarbonylContact C-O 3.59Å; D238-D280 WeakPolarHBondContact CA-O 3.48Å; D238-D280 WeakPolarHBondContact OD1-CB 3.37Å; D238-R281 IonicContact OD2-NH1 3.13Å; D238-H290 IonicContact OD1-CD2 2.8Å; D238-H290 PolarHBondContact OD1-CD2 3.33Å; D238-H290 IonicContact OD1-NE2 3.28Å; D238-H290 PolarHBondContact OD1-NE2 2.9Å
239V98.8Very high98.5Very high1 Ų125.4 Ų25.41%0.00612%0.118CC..Hα-helixtrans-58.7-38.5173173.20000111.9S242 W243 F266 C270 A279 D280 F293V239-S242 WeakPolarHBondContact O-CB 3.37Å; V239-S242 PolarHBondContact O-N 3.11Å; V239-W243 PolarHBondContact O-N 3.36Å; V239-F266 HydrophobicContact CG2-CE1 4.08Å; V239-C270 HydrophobicContact CG2-CB 3.67Å; V239-C270 VanDerWaalsContact CG2-SG 3.56Å; V239-A279 VanDerWaalsContact CG2-O 3.29Å; V239-A279 WeakPolarHBondContact CG2-O 3.45Å; V239-D280 PolarHBondContact N-O 3.25Å; V239-F293 HydrophobicContact CG1-CB 4.17Å
240C98.6Very high98.5Very high6 Ų629.3 Ų29.34%0.04114%0.136CC..Hα-helixtrans-69.3-44.1-179.669.10000112.5D238 S242 W243 W244 F289 F293D238-C240 VanDerWaalsContact C-N 3.29Å; D238-C240 PolarHBondContact O-N 2.82Å; D238-C240 PolarHBondContact OD1-N 2.89Å; D238-C240 PolarHBondContact OD1-SG 3.43Å; C240-S242 PolarHBondContact O-N 2.93Å; C240-W243 PolarHBondContact O-N 3.18Å; C240-W244 HydrophobicContact CB-CH2 4.1Å; C240-W244 HydrophobicContact CB-CZ2 4.3Å; C240-W244 HydrophobicContact CB-CZ3 4.34Å; C240-W244 PolarHBondContact O-N 2.79Å; C240-W244 VanDerWaalsContact O-N 3.08Å; C240-F289 HydrophobicContact CB-CD1 4.37Å; C240-F289 HydrophobicContact CB-CE1 3.5Å; C240-F289 HydrophobicContact CB-CZ 4.1Å; C240-F293 HydrophobicContact CB-CD2 3.65Å; C240-F293 HydrophobicContact CB-CE2 4.1Å
241Y98.7Very high98.5Very high58 Ų5829.2 Ų29.223%0.22714%0.135CC..Hα-helixtrans-62.4-37.4172.4-61.5-46.9000110.8H190 G231 D238 W243 W244 V245H190-Y241 AromaticContact CE1-CE1 3.62Å; H190-Y241 AromaticContact NE2-CE1 3.37Å; H190-Y241 WeakPolarHBondContact NE2-CE1 3.45Å; G231-Y241 VanDerWaalsContact N-CD2 3.25Å; D238-Y241 HydrophobicContact CB-CD2 3.23Å; D238-Y241 HydrophobicContact CB-CE2 3.76Å; D238-Y241 HydrophobicContact CB-CG 3.98Å; D238-Y241 PolarHBondContact O-N 3.48Å; Y241-W243 PolarHBondContact O-N 3.46Å; Y241-W244 AromaticContact CD1-CE3 3.58Å; Y241-W244 HydrophobicContact CD1-CE3 3.58Å; Y241-W244 AromaticContact CD1-CZ3 3.5Å; Y241-W244 HydrophobicContact CD1-CZ3 3.5Å; Y241-W244 HydrophobicContact CE1-CE3 4.12Å; Y241-W244 AromaticContact CE1-CZ3 3.59Å; Y241-W244 HydrophobicContact CE1-CZ3 3.59Å; Y241-W244 PolarHBondContact O-N 3.3Å; Y241-V245 WeakPolarHBondContact O-CB 3.38Å; Y241-V245 VanDerWaalsContact O-CG2 3.26Å; Y241-V245 WeakPolarHBondContact O-CG2 3.46Å; Y241-V245 PolarHBondContact O-N 3.18Å
242S98.9Very high98.6Very high1 Ų129.2 Ų29.21%0.00714%0.135CC..Hα-helixtrans-59.7-44.7177-62.90000112.5L229 D238 V239 C240 L246L229-S242 PolarHBondContact N-OG 3Å; L229-S242 VanDerWaalsContact N-OG 3.11Å; D238-S242 VanDerWaalsContact O-CB 3.28Å; D238-S242 WeakPolarHBondContact O-CB 3.34Å; D238-S242 PolarHBondContact O-N 3.33Å; D238-S242 PolarHBondContact O-OG 3.12Å; V239-S242 WeakPolarHBondContact O-CB 3.37Å; V239-S242 PolarHBondContact O-N 3.11Å; C240-S242 PolarHBondContact O-N 2.93Å; S242-L246 WeakPolarHBondContact O-CB 3.44Å; S242-L246 PolarHBondContact O-N 3.49Å
243W98.9Very high98.6Very high1 Ų125.9 Ų25.90%0.00412%0.124CC..Hα-helixtrans-59.9-53.5171.6166.7-107.8000111.9Y195 V239 C240 Y241 V245 L246 A247 F293 A296 L300 V309 C314Y195-W243 HydrophobicContact CE2-CZ2 4.43Å; Y195-W243 AromaticContact CE2-NE1 3.89Å; V239-W243 PolarHBondContact O-N 3.36Å; C240-W243 PolarHBondContact O-N 3.18Å; Y241-W243 PolarHBondContact O-N 3.46Å; W243-V245 PolarHBondContact O-N 3.04Å; W243-L246 PolarHBondContact O-N 3.06Å; W243-A247 HydrophobicContact CD2-CB 4.36Å; W243-A247 HydrophobicContact CH2-CB 4.29Å; W243-A247 HydrophobicContact CZ2-CB 4.02Å; W243-A247 WeakPolarHBondContact O-CB 3.47Å; W243-A247 PolarHBondContact O-N 2.95Å; W243-F293 HydrophobicContact CB-CB 3.69Å; W243-F293 HydrophobicContact CB-CD1 3.98Å; W243-F293 HydrophobicContact CB-CD2 4.48Å; W243-F293 HydrophobicContact CB-CG 3.82Å; W243-F293 AromaticContact CD1-CD1 3.2Å; W243-F293 AromaticContact CD1-CE1 3.24Å; W243-F293 AromaticContact CD1-CG 3.78Å; W243-F293 AromaticContact CD1-CZ 3.79Å; W243-F293 HydrophobicContact CD2-CD1 4.14Å; W243-F293 HydrophobicContact CG-CB 4.15Å; W243-F293 AromaticContact CG-CD1 3.49Å; W243-F293 HydrophobicContact CG-CD1 3.49Å; W243-F293 VanDerWaalsContact CG-CD1 3.49Å; W243-F293 HydrophobicContact CG-CE1 4.01Å; W243-F293 AromaticContact CG-CG 3.86Å; W243-F293 HydrophobicContact CG-CG 3.86Å; W243-F293 AromaticContact NE1-CD1 3.72Å; W243-F293 AromaticContact NE1-CE1 3.49Å; W243-A296 HydrophobicContact CD2-CB 4.18Å; W243-A296 HydrophobicContact CE3-CB 3.63Å; W243-A296 HydrophobicContact CH2-CB 4.04Å; W243-A296 HydrophobicContact CZ3-CB 3.55Å; W243-L300 HydrophobicContact CH2-CD2 4.43Å; W243-L300 HydrophobicContact CZ3-CB 4.28Å; W243-L300 HydrophobicContact CZ3-CD2 3.94Å; W243-V309 HydrophobicContact CH2-CG1 3.81Å; W243-V309 HydrophobicContact CH2-CG2 3.96Å; W243-V309 HydrophobicContact CZ3-CG1 3.78Å; W243-C314 HydrophobicContact CH2-CB 4.44Å; W243-C314 HydrophobicContact CZ2-CB 3.52Å; W243-C314 VanDerWaalsContact CZ2-SG 3.51Å
244W98.9Very high98.6Very high44 Ų4425.1 Ų25.117%0.16711%0.114CC..Hα-helixtrans-61-41.4-175.7-63.5-34.1000113.2A191 Y195 C240 Y241 S248 F289 F293A191-W244 HydrophobicContact CB-CB 4.4Å; Y195-W244 AromaticContact CD1-CD1 3.89Å; Y195-W244 HydrophobicContact CG-CB 4.35Å; Y195-W244 AromaticContact CG-CD1 3.78Å; Y195-W244 HydrophobicContact CG-CG 4.31Å; C240-W244 HydrophobicContact CB-CH2 4.1Å; C240-W244 HydrophobicContact CB-CZ2 4.3Å; C240-W244 HydrophobicContact CB-CZ3 4.34Å; C240-W244 PolarHBondContact O-N 2.79Å; C240-W244 VanDerWaalsContact O-N 3.08Å; Y241-W244 AromaticContact CD1-CE3 3.58Å; Y241-W244 HydrophobicContact CD1-CE3 3.58Å; Y241-W244 AromaticContact CD1-CZ3 3.5Å; Y241-W244 HydrophobicContact CD1-CZ3 3.5Å; Y241-W244 HydrophobicContact CE1-CE3 4.12Å; Y241-W244 AromaticContact CE1-CZ3 3.59Å; Y241-W244 HydrophobicContact CE1-CZ3 3.59Å; Y241-W244 PolarHBondContact O-N 3.3Å; W244-S248 WeakPolarHBondContact O-CB 3.41Å; W244-S248 PolarHBondContact O-N 3.5Å; W244-S248 PolarHBondContact O-OG 2.94Å; W244-F289 HydrophobicContact CH2-CZ 4.09Å; W244-F289 HydrophobicContact CZ2-CE2 4.5Å; W244-F289 AromaticContact CZ2-CZ 3.76Å; W244-F289 HydrophobicContact CZ2-CZ 3.76Å; W244-F293 AromaticContact CE2-CE2 3.91Å; W244-F293 AromaticContact CZ2-CE2 3.86Å; W244-F293 HydrophobicContact CZ2-CE2 3.86Å; W244-F293 HydrophobicContact CZ2-CZ 4.42Å; W244-F293 AromaticContact NE1-CE2 3.7Å; W244-F293 AromaticContact NE1-CZ 3.59Å
245V98.9Very high98.7Very high0 Ų020.9 Ų20.90%09%0.094CC..Hα-helixtrans-67.5-47.1176.7175.10000110.6A191 L219 R222 L229 Y241 W243 S248 L249A191-V245 HydrophobicContact CB-CG2 3.58Å; L219-V245 HydrophobicContact CB-CG1 4.03Å; L219-V245 HydrophobicContact CD2-CB 4.26Å; L219-V245 HydrophobicContact CD2-CG1 3.85Å; L219-V245 HydrophobicContact CD2-CG2 4.18Å; L219-V245 WeakPolarHBondContact O-CG1 3.35Å; R222-V245 HydrophobicContact CB-CG1 4.22Å; R222-V245 HydrophobicContact CB-CG2 4.12Å; R222-V245 HydrophobicContact CG-CG1 4.31Å; R222-V245 HydrophobicContact CG-CG2 3.89Å; L229-V245 HydrophobicContact CB-CB 4.35Å; L229-V245 HydrophobicContact CB-CG2 4.42Å; L229-V245 HydrophobicContact CD1-CB 3.69Å; L229-V245 HydrophobicContact CD1-CG1 3.6Å; Y241-V245 WeakPolarHBondContact O-CB 3.38Å; Y241-V245 VanDerWaalsContact O-CG2 3.26Å; Y241-V245 WeakPolarHBondContact O-CG2 3.46Å; Y241-V245 PolarHBondContact O-N 3.18Å; W243-V245 PolarHBondContact O-N 3.04Å; V245-S248 PolarHBondContact O-N 3.34Å; V245-L249 HydrophobicContact CG1-CD1 4.03Å; V245-L249 HydrophobicContact CG1-CG 4.42Å; V245-L249 WeakPolarHBondContact O-CB 3.29Å; V245-L249 WeakPolarHBondContact O-CG 3.42Å; V245-L249 PolarHBondContact O-N 3.33Å
246L98.9Very high98.7Very high0 Ų022.4 Ų22.40%010%0.102CC..Hα-helixtrans-64.9-42.6-178-171.471.7000112.1S242 W243 L249 K250 I255 I258 L263 L300 L301S242-L246 WeakPolarHBondContact O-CB 3.44Å; S242-L246 PolarHBondContact O-N 3.49Å; W243-L246 PolarHBondContact O-N 3.06Å; L246-L249 PolarHBondContact O-N 3.48Å; L246-K250 WeakPolarHBondContact O-CB 3.42Å; L246-K250 PolarHBondContact O-N 3.33Å; L246-I255 HydrophobicContact CD1-CD1 3.98Å; L246-I255 HydrophobicContact CD1-CG1 3.63Å; L246-I255 HydrophobicContact CG-CD1 4.25Å; L246-I255 HydrophobicContact CG-CG1 4.33Å; L246-I258 HydrophobicContact CD1-CD1 3.61Å; L246-I258 HydrophobicContact CD1-CG1 4.27Å; L246-L263 HydrophobicContact CD1-CD2 4.04Å; L246-L263 HydrophobicContact CD2-CD2 4.25Å; L246-L300 HydrophobicContact CD2-CB 4.01Å; L246-L300 HydrophobicContact CD2-CD2 4.17Å; L246-L300 HydrophobicContact CD2-CG 4.49Å; L246-L300 HydrophobicContact CG-CD2 4.05Å; L246-L301 HydrophobicContact CD1-CD2 3.95Å; L246-L301 HydrophobicContact CD2-CD1 4.47Å; L246-L301 HydrophobicContact CD2-CD2 3.85Å; L246-L301 HydrophobicContact CD2-CG 3.78Å
247A98.9Very high98.8Very high0 Ų023.4 Ų23.40%010%0.101CC..Hα-helixtrans-61.8-46.2174.700000111.3Y195 W243 L249 K250 I251 L300 P311Y195-A247 HydrophobicContact CD2-CB 3.76Å; Y195-A247 HydrophobicContact CE2-CB 3.72Å; W243-A247 HydrophobicContact CD2-CB 4.36Å; W243-A247 HydrophobicContact CH2-CB 4.29Å; W243-A247 HydrophobicContact CZ2-CB 4.02Å; W243-A247 WeakPolarHBondContact O-CB 3.47Å; W243-A247 PolarHBondContact O-N 2.95Å; A247-L249 PolarHBondContact O-N 3.29Å; A247-K250 WeakPolarHBondContact O-CB 3.48Å; A247-K250 PolarHBondContact O-N 2.94Å; A247-K250 VanDerWaalsContact O-N 3.1Å; A247-I251 VanDerWaalsContact O-CG1 3.31Å; A247-I251 WeakPolarHBondContact O-CG1 3.15Å; A247-I251 PolarHBondContact O-N 3.48Å; A247-L300 HydrophobicContact CB-CD2 4.41Å; A247-P311 HydrophobicContact CB-CB 4.17Å; A247-P311 WeakPolarHBondContact CB-O 3.45Å
248S98.9Very high98.8Very high0 Ų023.9 Ų23.90%010%0.104CC..Hα-helixtrans-60.2-45.2175.6-56.80000111.7Y195 W244 V245 K250 I251 I252Y195-S248 VanDerWaalsContact CA-OG 3.31Å; Y195-S248 WeakPolarHBondContact CA-OG 3.23Å; Y195-S248 PolarHBondContact N-OG 2.88Å; W244-S248 WeakPolarHBondContact O-CB 3.41Å; W244-S248 PolarHBondContact O-N 3.5Å; W244-S248 PolarHBondContact O-OG 2.94Å; V245-S248 PolarHBondContact O-N 3.34Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.48Å; S248-I251 PolarHBondContact O-N 3.39Å; S248-I252 WeakPolarHBondContact O-CG1 3.37Å; S248-I252 PolarHBondContact O-N 3.01Å; S248-I252 VanDerWaalsContact O-N 3.08Å
249L98.9Very high98.8Very high0 Ų026.7 Ų26.70%012%0.119CC..Hα-helixtrans-60.5-37.5174.6-76.1171.7000112L219 V245 L246 A247 G253 R254 I255 I258L219-L249 HydrophobicContact CB-CD1 4.39Å; L219-L249 HydrophobicContact CB-CD2 3.57Å; L219-L249 HydrophobicContact CB-CG 3.82Å; L219-L249 HydrophobicContact CD1-CD2 3.97Å; L219-L249 HydrophobicContact CD1-CG 4.08Å; L219-L249 HydrophobicContact CG-CD2 4.44Å; V245-L249 HydrophobicContact CG1-CD1 4.03Å; V245-L249 HydrophobicContact CG1-CG 4.42Å; V245-L249 WeakPolarHBondContact O-CB 3.29Å; V245-L249 WeakPolarHBondContact O-CG 3.42Å; V245-L249 PolarHBondContact O-N 3.33Å; L246-L249 PolarHBondContact O-N 3.48Å; A247-L249 PolarHBondContact O-N 3.29Å; L249-G253 PolarHBondContact O-N 2.85Å; L249-R254 HydrophobicContact CD2-CB 3.75Å; L249-R254 CarbonylContact O-C 3.56Å; L249-R254 WeakPolarHBondContact O-CA 3.41Å; L249-R254 PolarHBondContact O-N 3.28Å; L249-I255 HydrophobicContact CB-CB 4.48Å; L249-I255 PolarHBondContact O-N 3.32Å; L249-I255 VanDerWaalsContact O-N 3.11Å; L249-I258 HydrophobicContact CD1-CG1 4.33Å; L249-I258 HydrophobicContact CD1-CG2 3.66Å
250K98.8Very high98.8Very high83 Ų8330.6 Ų30.636%0.36114%0.136SC..Hα-helixtrans-66.2-44.1175178.862.5178.4178.30111.6L246 A247 S248 I252 G253 I255 L300 P311L246-K250 WeakPolarHBondContact O-CB 3.42Å; L246-K250 PolarHBondContact O-N 3.33Å; A247-K250 WeakPolarHBondContact O-CB 3.48Å; A247-K250 PolarHBondContact O-N 2.94Å; A247-K250 VanDerWaalsContact O-N 3.1Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.48Å; K250-I252 VanDerWaalsContact C-N 3.29Å; K250-I252 PolarHBondContact O-N 3.38Å; K250-G253 PolarHBondContact O-N 3.13Å; K250-I255 HydrophobicContact CB-CB 4.49Å; K250-I255 HydrophobicContact CB-CD1 4.18Å; K250-I255 HydrophobicContact CD-CD1 4.2Å; K250-I255 HydrophobicContact CD-CG2 4.47Å; K250-L300 HydrophobicContact CB-CD2 3.99Å; K250-L300 HydrophobicContact CG-CD1 4.24Å; K250-L300 HydrophobicContact CG-CD2 4.37Å; K250-L300 HydrophobicContact CG-CG 4.48Å; K250-P311 HydrophobicContact CB-CB 4.04Å; K250-P311 HydrophobicContact CB-CG 4.37Å; K250-P311 HydrophobicContact CG-CB 3.88Å; K250-P311 HydrophobicContact CG-CG 3.72Å
251I98.9Very high98.8Very high0 Ų033.3 Ų33.30%016%0.159CC..Hα-helixtrans-59.9-40.6179.1-68.2163.3000111.4L207 A247 S248 P311 V312 L329 L330L207-I251 HydrophobicContact CD1-CG2 3.88Å; L207-I251 HydrophobicContact CD2-CG2 3.62Å; L207-I251 HydrophobicContact CG-CG2 4.43Å; A247-I251 VanDerWaalsContact O-CG1 3.31Å; A247-I251 WeakPolarHBondContact O-CG1 3.15Å; A247-I251 PolarHBondContact O-N 3.48Å; S248-I251 PolarHBondContact O-N 3.39Å; I251-P311 HydrophobicContact CG1-CB 4.15Å; I251-P311 HydrophobicContact CG1-CG 4.2Å; I251-V312 HydrophobicContact CD1-CG2 3.78Å; I251-V312 HydrophobicContact CG1-CG2 3.75Å; I251-L329 HydrophobicContact CB-CD2 4.2Å; I251-L329 HydrophobicContact CG1-CD2 3.85Å; I251-L329 HydrophobicContact CG2-CD2 4.37Å; I251-L330 PolarHBondContact O-N 2.86Å
252I98.8Very high98.8Very high0 Ų034.9 Ų34.90%017%0.167CC..THydrogen-bonded Turntrans-93.310.6-177.872.4-179.1000114.2T198 L210 A212 L215 L219 S248 K250 R254 L330T198-I252 HydrophobicContact CG2-CG2 4.14Å; L210-I252 HydrophobicContact CD1-CG2 3.79Å; A212-I252 HydrophobicContact CB-CB 4.25Å; L215-I252 HydrophobicContact CB-CD1 4.19Å; L215-I252 HydrophobicContact CD2-CD1 4.14Å; L215-I252 HydrophobicContact CD2-CG2 4.44Å; L215-I252 HydrophobicContact CG-CD1 3.92Å; L219-I252 HydrophobicContact CD1-CD1 3.79Å; S248-I252 WeakPolarHBondContact O-CG1 3.37Å; S248-I252 PolarHBondContact O-N 3.01Å; S248-I252 VanDerWaalsContact O-N 3.08Å; K250-I252 VanDerWaalsContact C-N 3.29Å; K250-I252 PolarHBondContact O-N 3.38Å; I252-R254 HydrophobicContact CD1-CB 4.4Å; I252-R254 HydrophobicContact CD1-CG 4.24Å; I252-R254 HydrophobicContact CG1-CB 4.03Å; I252-R254 HydrophobicContact CG1-CG 3.9Å; I252-R254 PolarHBondContact O-N 2.84Å; I252-R254 PolarHBondContact O-NH1 3.46Å; I252-L330 HydrophobicContact CB-CD1 4.38Å
253G98.6Very high98.8Very high6 Ų634.8 Ų34.86%0.06217%0.166CC..THydrogen-bonded Turntrans71.826.7176.300000114.7L249 K250 H256 L330L249-G253 PolarHBondContact O-N 2.85Å; K250-G253 PolarHBondContact O-N 3.13Å; G253-H256 PolarHBondContact O-CE1 3.43Å; G253-L330 VanDerWaalsContact CA-O 3.29Å; G253-L330 WeakPolarHBondContact CA-O 3.48Å; G253-L330 PolarHBondContact N-O 2.79Å
254R98.7Very high98.8Very high44 Ų4438.1 Ų38.117%0.16618%0.182CC..  trans-123.412.7-174.9-58.9-61.5178.3-87.7-0.7114.6D213 L249 I252 H256 W257D213-R254 IonicContact OD1-CZ 3.89Å; D213-R254 IonicContact OD1-NE 3.85Å; D213-R254 PolarHBondContact OD1-NE 3.2Å; D213-R254 IonicContact OD1-NH2 3.2Å; D213-R254 PolarHBondContact OD1-NH2 2.61Å; L249-R254 HydrophobicContact CD2-CB 3.75Å; L249-R254 CarbonylContact O-C 3.56Å; L249-R254 WeakPolarHBondContact O-CA 3.41Å; L249-R254 PolarHBondContact O-N 3.28Å; I252-R254 HydrophobicContact CD1-CB 4.4Å; I252-R254 HydrophobicContact CD1-CG 4.24Å; I252-R254 HydrophobicContact CG1-CB 4.03Å; I252-R254 HydrophobicContact CG1-CG 3.9Å; I252-R254 PolarHBondContact O-N 2.84Å; I252-R254 PolarHBondContact O-NH1 3.46Å; R254-H256 PolarHBondContact O-N 2.71Å; R254-W257 HydrophobicContact CB-CD2 4.17Å; R254-W257 HydrophobicContact CB-CE3 4.47Å; R254-W257 HydrophobicContact CB-CG 4.32Å; R254-W257 VanDerWaalsContact CD-CE2 3.43Å; R254-W257 VanDerWaalsContact CD-CZ2 3.45Å; R254-W257 HydrophobicContact CG-CD2 4.43Å; R254-W257 HydrophobicContact CG-CZ2 4.47Å; R254-W257 WeakPolarHBondContact O-CB 3.39Å; R254-W257 PolarHBondContact O-N 2.86Å
255I98.3Very high98.7Very high21 Ų2143.8 Ų43.811%0.10820%0.203CC..G310 helixtrans-54.7-22.2178.1-159.4179.5000114.2L246 L249 K250 W257 I258 K260 L300L246-I255 HydrophobicContact CD1-CD1 3.98Å; L246-I255 HydrophobicContact CD1-CG1 3.63Å; L246-I255 HydrophobicContact CG-CD1 4.25Å; L246-I255 HydrophobicContact CG-CG1 4.33Å; L249-I255 HydrophobicContact CB-CB 4.48Å; L249-I255 PolarHBondContact O-N 3.32Å; L249-I255 VanDerWaalsContact O-N 3.11Å; K250-I255 HydrophobicContact CB-CB 4.49Å; K250-I255 HydrophobicContact CB-CD1 4.18Å; K250-I255 HydrophobicContact CD-CD1 4.2Å; K250-I255 HydrophobicContact CD-CG2 4.47Å; I255-W257 VanDerWaalsContact C-N 3.28Å; I255-W257 PolarHBondContact O-N 2.98Å; I255-I258 WeakPolarHBondContact O-CG1 3.29Å; I255-K260 WeakPolarHBondContact O-CE 3.34Å; I255-L300 HydrophobicContact CD1-CG 4.28Å
256H98.5Very high98.7Very high119 Ų11943.8 Ų43.855%0.55120%0.203SC*.G310 helixtrans-79.5-4.3178.764.4-81.1000114G253 R254 I258G253-H256 PolarHBondContact O-CE1 3.43Å; R254-H256 PolarHBondContact O-N 2.71Å; H256-I258 VanDerWaalsContact C-N 3.33Å
257W98.8Very high98.7Very high95 Ų9543.9 Ų43.936%0.3620%0.204SC..G310 helixtrans-82.6-8.7-178.8-71.812.4000114.2D213 G216 W217 C220 R254 I255D213-W257 HydrophobicContact CB-CH2 3.98Å; D213-W257 VanDerWaalsContact O-CZ3 3.28Å; D213-W257 WeakPolarHBondContact O-CZ3 3.39Å; G216-W257 VanDerWaalsContact C-CZ3 3.43Å; W217-W257 HydrophobicContact CB-CZ3 4.17Å; W217-W257 VanDerWaalsContact N-CZ3 3.3Å; C220-W257 HydrophobicContact CB-CB 3.79Å; R254-W257 HydrophobicContact CB-CD2 4.17Å; R254-W257 HydrophobicContact CB-CE3 4.47Å; R254-W257 HydrophobicContact CB-CG 4.32Å; R254-W257 VanDerWaalsContact CD-CE2 3.43Å; R254-W257 VanDerWaalsContact CD-CZ2 3.45Å; R254-W257 HydrophobicContact CG-CD2 4.43Å; R254-W257 HydrophobicContact CG-CZ2 4.47Å; R254-W257 WeakPolarHBondContact O-CB 3.39Å; R254-W257 PolarHBondContact O-N 2.86Å; I255-W257 VanDerWaalsContact C-N 3.28Å; I255-W257 PolarHBondContact O-N 2.98Å
258I98.8Very high98.7Very high10 Ų1044.5 Ų44.55%0.05121%0.207CC..SBendtrans-106.1155.617558.3125.6000111.4C220 L229 L246 L249 I255 H256 K260 L263 L301C220-I258 HydrophobicContact CB-CG2 3.95Å; L229-I258 HydrophobicContact CD2-CG2 4.49Å; L246-I258 HydrophobicContact CD1-CD1 3.61Å; L246-I258 HydrophobicContact CD1-CG1 4.27Å; L249-I258 HydrophobicContact CD1-CG1 4.33Å; L249-I258 HydrophobicContact CD1-CG2 3.66Å; I255-I258 WeakPolarHBondContact O-CG1 3.29Å; H256-I258 VanDerWaalsContact C-N 3.33Å; I258-K260 HydrophobicContact CD1-CG 4.14Å; I258-K260 PolarHBondContact O-N 2.78Å; I258-K260 VanDerWaalsContact O-N 3.09Å; I258-L263 HydrophobicContact CD1-CB 4.31Å; I258-L263 HydrophobicContact CD1-CD2 3.7Å; I258-L301 HydrophobicContact CD1-CD2 4.44Å
259D98.8Very high98.7Very high72 Ų7244.6 Ų44.639%0.38521%0.208SC..  trans-74.996168.5-173.6-28.9000109.6Q223 A261 K262 L263Q223-D259 PolarHBondContact NE2-O 3.45Å; D259-A261 VanDerWaalsContact C-N 3.31Å; D259-A261 PolarHBondContact O-N 3.36Å; D259-A261 PolarHBondContact OD1-N 2.95Å; D259-A261 VanDerWaalsContact OD1-N 3.13Å; D259-K262 HydrophobicContact CB-CB 4.06Å; D259-K262 HydrophobicContact CB-CD 4.3Å; D259-K262 HydrophobicContact CB-CG 4.35Å; D259-K262 PolarHBondContact O-N 2.91Å; D259-K262 PolarHBondContact OD1-N 3.33Å; D259-K262 WeakPolarHBondContact OD2-CD 3.36Å; D259-K262 WeakPolarHBondContact OD2-CG 3.39Å; D259-L263 PolarHBondContact O-N 3.25Å; D259-L263 VanDerWaalsContact O-N 3.08Å
260K98.6Very high98.7Very high82 Ų8244.7 Ų44.736%0.35721%0.209SC..Hα-helixtrans-60-38.5-179.3-66.4-173.5-179.4-1740113I255 I258 L263 Q264 L301I255-K260 WeakPolarHBondContact O-CE 3.34Å; I258-K260 HydrophobicContact CD1-CG 4.14Å; I258-K260 PolarHBondContact O-N 2.78Å; I258-K260 VanDerWaalsContact O-N 3.09Å; K260-L263 PolarHBondContact O-N 3.07Å; K260-Q264 WeakPolarHBondContact O-CB 3.35Å; K260-Q264 PolarHBondContact O-N 3.39Å; K260-L301 HydrophobicContact CB-CD2 3.89Å; K260-L301 HydrophobicContact CD-CD2 4.23Å; K260-L301 HydrophobicContact CG-CD2 3.82Å
261A98.5Very high98.7Very high64 Ų6441.3 Ų41.353%0.52919%0.194SC..Hα-helixtrans-69.4-38.8-17700000111.3D259 R265D259-A261 VanDerWaalsContact C-N 3.31Å; D259-A261 PolarHBondContact O-N 3.36Å; D259-A261 PolarHBondContact OD1-N 2.95Å; D259-A261 VanDerWaalsContact OD1-N 3.13Å; A261-R265 PolarHBondContact O-N 2.86Å; A261-R265 VanDerWaalsContact O-N 3.12Å
262K98.7Very high98.6Very high90 Ų9043.7 Ų43.739%0.39121%0.207SC..Hα-helixtrans-65.8-42.6172.3-80.9-170168.8-159.70112.5P225 D259 R265 F266P225-K262 PolarHBondContact O-NZ 3.28Å; D259-K262 HydrophobicContact CB-CB 4.06Å; D259-K262 HydrophobicContact CB-CD 4.3Å; D259-K262 HydrophobicContact CB-CG 4.35Å; D259-K262 PolarHBondContact O-N 2.91Å; D259-K262 PolarHBondContact OD1-N 3.33Å; D259-K262 WeakPolarHBondContact OD2-CD 3.36Å; D259-K262 WeakPolarHBondContact OD2-CG 3.39Å; K262-R265 PolarHBondContact O-N 3.08Å; K262-F266 PolarHBondContact O-N 3.2Å
263L98.9Very high98.5Very high0 Ų048.6 Ų48.60%023%0.23CC..Hα-helixtrans-64-44.1177.6-178.357.4000111.8G227 L229 L246 I258 D259 K260 R265 F266 I267 L301G227-L263 WeakPolarHBondContact O-CA 3.26Å; G227-L263 WeakPolarHBondContact O-CD1 3.28Å; L229-L263 HydrophobicContact CD1-CD1 4.43Å; L229-L263 HydrophobicContact CD1-CD2 3.84Å; L229-L263 HydrophobicContact CD2-CD1 4.47Å; L229-L263 HydrophobicContact CG-CD1 3.93Å; L229-L263 HydrophobicContact CG-CD2 4.19Å; L246-L263 HydrophobicContact CD1-CD2 4.04Å; L246-L263 HydrophobicContact CD2-CD2 4.25Å; I258-L263 HydrophobicContact CD1-CB 4.31Å; I258-L263 HydrophobicContact CD1-CD2 3.7Å; D259-L263 PolarHBondContact O-N 3.25Å; D259-L263 VanDerWaalsContact O-N 3.08Å; K260-L263 PolarHBondContact O-N 3.07Å; L263-R265 VanDerWaalsContact C-N 3.28Å; L263-R265 PolarHBondContact O-N 2.73Å; L263-F266 HydrophobicContact CD1-CD1 4.33Å; L263-F266 WeakPolarHBondContact O-CB 3.17Å; L263-F266 PolarHBondContact O-N 3.42Å; L263-F266 VanDerWaalsContact O-N 3.12Å; L263-I267 HydrophobicContact CD1-CD1 4.18Å; L263-I267 HydrophobicContact CD1-CG1 4.23Å; L263-I267 HydrophobicContact CG-CD1 3.96Å; L263-I267 HydrophobicContact CG-CG1 4.45Å; L263-I267 WeakPolarHBondContact O-CG1 3.33Å; L263-I267 PolarHBondContact O-N 3.48Å; L263-L301 HydrophobicContact CB-CD1 4.33Å; L263-L301 HydrophobicContact CD2-CD1 4.19Å; L263-L301 HydrophobicContact CD2-CD2 4.35Å; L263-L301 HydrophobicContact CG-CD1 4.06Å
264Q98.8Very high98.4Very high71 Ų7156.4 Ų56.433%0.33226%0.264SS..Hα-helixtrans-56.4-44.6175.3-174176.23.500111.2K260 F266 I267 L268 L298 L301K260-Q264 WeakPolarHBondContact O-CB 3.35Å; K260-Q264 PolarHBondContact O-N 3.39Å; Q264-F266 PolarHBondContact O-N 3.25Å; Q264-I267 PolarHBondContact O-N 3.21Å; Q264-L268 HydrophobicContact CG-CD1 3.98Å; Q264-L268 HydrophobicContact CG-CG 4.48Å; Q264-L268 WeakPolarHBondContact O-CB 3.4Å; Q264-L268 VanDerWaalsContact O-CG 3.26Å; Q264-L268 WeakPolarHBondContact O-CG 3.34Å; Q264-L268 PolarHBondContact O-N 3.33Å; Q264-L298 HydrophobicContact CG-CD2 3.74Å; Q264-L301 HydrophobicContact CB-CD1 4.06Å
265R98.6Very high98.2Very high162 Ų16257.7 Ų57.761%0.61128%0.277SS*.Hα-helixtrans-61.2-42.2175.8-173.1-178.1-58.2-177.62.1112.6A261 K262 L263 A269A261-R265 PolarHBondContact O-N 2.86Å; A261-R265 VanDerWaalsContact O-N 3.12Å; K262-R265 PolarHBondContact O-N 3.08Å; L263-R265 VanDerWaalsContact C-N 3.28Å; L263-R265 PolarHBondContact O-N 2.73Å; R265-A269 WeakPolarHBondContact O-CB 3.5Å; R265-A269 PolarHBondContact O-N 3.09Å
266F98.8Very high98.1Very high0 Ų056.7 Ų56.70%027%0.272CS..Hα-helixtrans-61.7-47.8176.2170.9-91.6000111.6V8 I10 P237 V239 K262 L263 Q264 L268 A269 C270V8-F266 HydrophobicContact CG2-CD2 4.23Å; V8-F266 HydrophobicContact CG2-CE2 3.8Å; I10-F266 HydrophobicContact CD1-CB 4.17Å; I10-F266 HydrophobicContact CD1-CD2 4.27Å; P237-F266 HydrophobicContact CB-CE2 3.89Å; P237-F266 HydrophobicContact CB-CZ 3.85Å; P237-F266 HydrophobicContact CG-CE2 3.8Å; P237-F266 HydrophobicContact CG-CZ 4.17Å; V239-F266 HydrophobicContact CG2-CE1 4.08Å; K262-F266 PolarHBondContact O-N 3.2Å; L263-F266 HydrophobicContact CD1-CD1 4.33Å; L263-F266 WeakPolarHBondContact O-CB 3.17Å; L263-F266 PolarHBondContact O-N 3.42Å; L263-F266 VanDerWaalsContact O-N 3.12Å; Q264-F266 PolarHBondContact O-N 3.25Å; F266-L268 PolarHBondContact O-N 2.66Å; F266-A269 WeakPolarHBondContact O-CB 3.26Å; F266-A269 PolarHBondContact O-N 3.48Å; F266-C270 PolarHBondContact O-N 2.66Å; F266-C270 PolarHBondContact O-SG 3Å
267I98.8Very high98.1Very high2 Ų251 Ų511%0.0125%0.246CC..Hα-helixtrans-62.2-46.7-179.9-65.1168.3000110.4L263 Q264 A269 C270 F278 L298 L301L263-I267 HydrophobicContact CD1-CD1 4.18Å; L263-I267 HydrophobicContact CD1-CG1 4.23Å; L263-I267 HydrophobicContact CG-CD1 3.96Å; L263-I267 HydrophobicContact CG-CG1 4.45Å; L263-I267 WeakPolarHBondContact O-CG1 3.33Å; L263-I267 PolarHBondContact O-N 3.48Å; Q264-I267 PolarHBondContact O-N 3.21Å; I267-A269 VanDerWaalsContact C-N 3.26Å; I267-A269 PolarHBondContact O-N 3.39Å; I267-C270 WeakPolarHBondContact O-CB 3.41Å; I267-C270 PolarHBondContact O-N 3.04Å; I267-F278 HydrophobicContact CG2-CD1 4.16Å; I267-F278 HydrophobicContact CG2-CE1 3.75Å; I267-F278 WeakPolarHBondContact O-CD1 3.26Å; I267-F278 WeakPolarHBondContact O-CE1 3.35Å; I267-L298 HydrophobicContact CB-CD2 4.26Å; I267-L298 HydrophobicContact CG2-CD1 4.09Å; I267-L298 HydrophobicContact CG2-CD2 4.05Å; I267-L298 HydrophobicContact CG2-CG 3.81Å; I267-L301 HydrophobicContact CD1-CD1 4.06Å
268L98.8Very high98.1Very high13 Ų1346.5 Ų46.57%0.06823%0.229CC..Hα-helixtrans-61.5-34.2177.7-68.3171.9000112.4P15 L18 Q264 F266 C270 Q271 L298P15-L268 WeakPolarHBondContact CG-O 3.36Å; P15-L268 CarbonylContact O-C 3.2Å; L18-L268 HydrophobicContact CB-CD2 4.03Å; L18-L268 HydrophobicContact CD1-CD2 4.39Å; Q264-L268 HydrophobicContact CG-CD1 3.98Å; Q264-L268 HydrophobicContact CG-CG 4.48Å; Q264-L268 WeakPolarHBondContact O-CB 3.4Å; Q264-L268 VanDerWaalsContact O-CG 3.26Å; Q264-L268 WeakPolarHBondContact O-CG 3.34Å; Q264-L268 PolarHBondContact O-N 3.33Å; F266-L268 PolarHBondContact O-N 2.66Å; L268-C270 PolarHBondContact O-N 2.87Å; L268-Q271 WeakPolarHBondContact O-CB 3.31Å; L268-Q271 VanDerWaalsContact O-CG 3.26Å; L268-Q271 WeakPolarHBondContact O-CG 3.26Å; L268-Q271 PolarHBondContact O-N 3.23Å; L268-Q271 PolarHBondContact O-NE2 3.44Å; L268-L298 HydrophobicContact CD2-CD1 3.91Å; L268-L298 HydrophobicContact CD2-CD2 4.25Å; L268-L298 HydrophobicContact CG-CD2 4.24Å
269A98.6Very high98.1Very high3 Ų346.1 Ų46.13%0.02523%0.227CC..Hα-helixtrans-69.1-13.6175.900000113.8I10 A14 P15 R265 F266 I267 Q271 P282I10-A269 HydrophobicContact CD1-CB 4.36Å; I10-A269 HydrophobicContact CG1-CB 4.45Å; I10-A269 HydrophobicContact CG2-CB 3.69Å; A14-A269 HydrophobicContact CB-CB 3.8Å; P15-A269 WeakPolarHBondContact O-CA 3.42Å; P15-A269 PolarHBondContact O-N 3.27Å; R265-A269 WeakPolarHBondContact O-CB 3.5Å; R265-A269 PolarHBondContact O-N 3.09Å; F266-A269 WeakPolarHBondContact O-CB 3.26Å; F266-A269 PolarHBondContact O-N 3.48Å; I267-A269 VanDerWaalsContact C-N 3.26Å; I267-A269 PolarHBondContact O-N 3.39Å; A269-Q271 VanDerWaalsContact C-N 3.33Å; A269-P282 HydrophobicContact CB-CB 4.38Å; A269-P282 HydrophobicContact CB-CG 3.89Å; A269-P282 WeakPolarHBondContact O-CA 3.29Å; A269-P282 VanDerWaalsContact O-CB 3.31Å; A269-P282 WeakPolarHBondContact O-CB 3.34Å
270C98.6Very high98Very high2 Ų244.1 Ų44.11%0.01422%0.216CC..THydrogen-bonded Turntrans-88.93.3177.4-57.90000113.3V239 F266 I267 L268 F278 A279 P282V239-C270 HydrophobicContact CG2-CB 3.67Å; V239-C270 VanDerWaalsContact CG2-SG 3.56Å; F266-C270 PolarHBondContact O-N 2.66Å; F266-C270 PolarHBondContact O-SG 3Å; I267-C270 WeakPolarHBondContact O-CB 3.41Å; I267-C270 PolarHBondContact O-N 3.04Å; L268-C270 PolarHBondContact O-N 2.87Å; C270-F278 HydrophobicContact CB-CD1 4.35Å; C270-F278 WeakPolarHBondContact O-CA 3.39Å; C270-A279 PolarHBondContact O-N 2.99Å; C270-P282 VanDerWaalsContact SG-CD 3.51Å
271Q98.5Very high98Very high12 Ų1242.7 Ų42.76%0.05621%0.209CC..BIsolated β-bridgetrans-75.1145.9174.8-62.5173101.900111P15 S17 L19 H23 L268 A269 F278P15-Q271 HydrophobicContact CB-CB 4.24Å; P15-Q271 HydrophobicContact CG-CB 3.99Å; P15-Q271 WeakPolarHBondContact CG-O 3.24Å; S17-Q271 PolarHBondContact O-NE2 2.87Å; S17-Q271 PolarHBondContact O-OE1 3.14Å; L19-Q271 HydrophobicContact CD1-CB 4.49Å; H23-Q271 PolarHBondContact CE1-OE1 3.21Å; H23-Q271 PolarHBondContact NE2-OE1 3.12Å; L268-Q271 WeakPolarHBondContact O-CB 3.31Å; L268-Q271 VanDerWaalsContact O-CG 3.26Å; L268-Q271 WeakPolarHBondContact O-CG 3.26Å; L268-Q271 PolarHBondContact O-N 3.23Å; L268-Q271 PolarHBondContact O-NE2 3.44Å; A269-Q271 VanDerWaalsContact C-N 3.33Å; Q271-F278 HydrophobicContact CG-CD1 3.71Å; Q271-F278 HydrophobicContact CG-CE1 3.23Å; Q271-F278 HydrophobicContact CG-CE2 4.2Å; Q271-F278 HydrophobicContact CG-CG 4.37Å; Q271-F278 HydrophobicContact CG-CZ 3.51Å
272D97.8Very high98Very high49 Ų4941.4 Ų41.426%0.26220%0.195SC..  trans-91.6116.7163.2-179.5-34.5000109.3E274 T275 G276 G277 V286D272-E274 VanDerWaalsContact C-N 3.28Å; D272-E274 PolarHBondContact O-N 3.02Å; D272-E274 WeakPolarHBondContact OD1-CA 3.32Å; D272-E274 WeakPolarHBondContact OD1-CB 3.24Å; D272-E274 PolarHBondContact OD1-N 3.4Å; D272-T275 PolarHBondContact OD1-N 3.19Å; D272-T275 PolarHBondContact OD1-OG1 2.71Å; D272-T275 PolarHBondContact OD2-OG1 3.07Å; D272-G276 WeakPolarHBondContact O-CA 3.4Å; D272-G276 PolarHBondContact O-N 2.99Å; D272-G277 PolarHBondContact N-O 3.36Å; D272-V286 HydrophobicContact CB-CG1 3.53Å
273E96.6Very high97.8Very high104 Ų10441 Ų4149%0.48622%0.217SC..THydrogen-bonded Turntrans-71.1-22.4-177.5-62.3-166.5108.500113.4P15 L19 K22P15-E273 HydrophobicContact CB-CG 3.78Å; P15-E273 HydrophobicContact CG-CG 3.73Å; L19-E273 HydrophobicContact CD1-CB 4.33Å; L19-E273 HydrophobicContact CD1-CG 4.16Å; K22-E273 WeakPolarHBondContact CD-O 3.35Å; K22-E273 WeakPolarHBondContact CE-O 3.4Å; K22-E273 PolarHBondContact NZ-O 3.31Å
274E95.3Very high97.7Very high169 Ų16944.4 Ų44.479%0.7924%0.235SC*.THydrogen-bonded Turntrans-86.2-54.6-179.7-62.6-170176.400110.3K22 D272K22-E274 PolarHBondContact NZ-O 2.94Å; D272-E274 VanDerWaalsContact C-N 3.28Å; D272-E274 PolarHBondContact O-N 3.02Å; D272-E274 WeakPolarHBondContact OD1-CA 3.32Å; D272-E274 WeakPolarHBondContact OD1-CB 3.24Å; D272-E274 PolarHBondContact OD1-N 3.4Å
275T94.4Very high97.6Very high72 Ų7248.4 Ų48.444%0.44226%0.255SS..THydrogen-bonded Turntrans-98.6-20-168.369.10000114.2D272D272-T275 PolarHBondContact OD1-N 3.19Å; D272-T275 PolarHBondContact OD1-OG1 2.71Å; D272-T275 PolarHBondContact OD2-OG1 3.07Å
276G97.3Very high97.5Very high0 Ų041.6 Ų41.60%023%0.232CC..  trans81.8-169.8-167.400000112.4D272D272-G276 WeakPolarHBondContact O-CA 3.4Å; D272-G276 PolarHBondContact O-N 2.99Å
277G98.2Very high97.4Very high0 Ų043.9 Ų43.90%024%0.244CC..  trans70.4175.1-167.700000114.8H23 D272 T291H23-G277 PolarHBondContact CE1-O 2.86Å; H23-G277 PolarHBondContact ND1-N 3.05Å; H23-G277 PolarHBondContact ND1-O 3.41Å; D272-G277 PolarHBondContact N-O 3.36Å; G277-T291 VanDerWaalsContact CA-OG1 3.26Å; G277-T291 WeakPolarHBondContact CA-OG1 3.26Å
278F98.7Very high97.3Very high0 Ų044.2 Ų44.20%025%0.246CC..BIsolated β-bridgetrans-124.5146.2172.7-66.4-107.8000109.9L18 H23 I267 C270 Q271 V286 D287 H290 T291 V295 L298L18-F278 HydrophobicContact CD1-CZ 4.07Å; H23-F278 AromaticContact CD2-CE2 3.55Å; H23-F278 AromaticContact CE1-CD2 3.85Å; H23-F278 AromaticContact CE1-CE2 3.37Å; H23-F278 WeakPolarHBondContact CE1-CE2 3.47Å; H23-F278 AromaticContact CE1-CZ 3.86Å; H23-F278 AromaticContact CG-CE2 3.85Å; H23-F278 AromaticContact ND1-CD2 3.96Å; H23-F278 AromaticContact ND1-CE2 3.72Å; H23-F278 AromaticContact NE2-CE2 3.24Å; H23-F278 WeakPolarHBondContact NE2-CE2 3.34Å; H23-F278 AromaticContact NE2-CZ 3.51Å; I267-F278 HydrophobicContact CG2-CD1 4.16Å; I267-F278 HydrophobicContact CG2-CE1 3.75Å; I267-F278 WeakPolarHBondContact O-CD1 3.26Å; I267-F278 WeakPolarHBondContact O-CE1 3.35Å; C270-F278 HydrophobicContact CB-CD1 4.35Å; C270-F278 WeakPolarHBondContact O-CA 3.39Å; Q271-F278 HydrophobicContact CG-CD1 3.71Å; Q271-F278 HydrophobicContact CG-CE1 3.23Å; Q271-F278 HydrophobicContact CG-CE2 4.2Å; Q271-F278 HydrophobicContact CG-CG 4.37Å; Q271-F278 HydrophobicContact CG-CZ 3.51Å; F278-V286 WeakPolarHBondContact O-CA 3.44Å; F278-D287 PolarHBondContact O-N 3.03Å; F278-H290 WeakPolarHBondContact O-CB 3.41Å; F278-T291 HydrophobicContact CD2-CG2 4.22Å; F278-T291 PolarHBondContact N-OG1 2.94Å; F278-V295 HydrophobicContact CE2-CG2 3.85Å; F278-L298 HydrophobicContact CE1-CD1 4.38Å; F278-L298 HydrophobicContact CZ-CD1 4.03Å
279A98.4Very high97.3Very high1 Ų145.8 Ų45.81%0.00825%0.253CS..  trans-98.1175.2170.100000110.8V239 C270 R281 D284 M285 V286V239-A279 VanDerWaalsContact CG2-O 3.29Å; V239-A279 WeakPolarHBondContact CG2-O 3.45Å; C270-A279 PolarHBondContact O-N 2.99Å; A279-R281 VanDerWaalsContact C-N 3.33Å; A279-R281 WeakPolarHBondContact CB-O 3.37Å; A279-D284 HydrophobicContact CB-CB 4.01Å; A279-D284 VanDerWaalsContact CB-O 3.29Å; A279-D284 WeakPolarHBondContact CB-O 3.41Å; A279-M285 VanDerWaalsContact CB-O 3.32Å; A279-M285 WeakPolarHBondContact CB-O 3.39Å; A279-V286 HydrophobicContact CB-CG1 4.28Å
280D97.6Very high97.3Very high30 Ų3046.5 Ų46.516%0.1626%0.255CS..SBendtrans-65.5-36.5171.757.4-11.1000112.5D238 V239 D284 H290D238-D280 CarbonylContact C-O 3.59Å; D238-D280 WeakPolarHBondContact CA-O 3.48Å; D238-D280 WeakPolarHBondContact OD1-CB 3.37Å; V239-D280 PolarHBondContact N-O 3.25Å; D280-D284 WeakPolarHBondContact OD1-CB 3.36Å; D280-D284 VanDerWaalsContact OD1-OD2 3.09Å; D280-H290 WeakPolarHBondContact CB-NE2 3.24Å
281R98.3Very high97.3Very high52 Ų5246.4 Ų46.420%0.19626%0.255CS..SBendtrans-141.7162.9177.8-72.3171.4-61.3-71.7-9112.2V8 P237 D238 A279 G283 D284V8-R281 HydrophobicContact CG1-CG 4.25Å; P237-R281 VanDerWaalsContact O-CD 3.26Å; P237-R281 WeakPolarHBondContact O-CD 3.26Å; P237-R281 WeakPolarHBondContact O-CG 3.4Å; D238-R281 IonicContact OD2-NH1 3.13Å; A279-R281 VanDerWaalsContact C-N 3.33Å; A279-R281 WeakPolarHBondContact CB-O 3.37Å; R281-G283 PolarHBondContact O-N 3Å; R281-D284 IonicContact CZ-OD2 3.56Å; R281-D284 IonicContact NE-OD2 3.42Å; R281-D284 PolarHBondContact NE-OD2 3.49Å; R281-D284 IonicContact NH2-OD2 2.7Å; R281-D284 PolarHBondContact NH2-OD2 3.35Å; R281-D284 PolarHBondContact O-N 2.96Å
282P97.7Very high97.3Very high38 Ų3845.9 Ų45.925%0.24725%0.252CS..THydrogen-bonded Turntrans-57.8122.3178.4-26.437000113.1I10 A269 C270I10-P282 HydrophobicContact CG1-CG 4.49Å; A269-P282 HydrophobicContact CB-CB 4.38Å; A269-P282 HydrophobicContact CB-CG 3.89Å; A269-P282 WeakPolarHBondContact O-CA 3.29Å; A269-P282 VanDerWaalsContact O-CB 3.31Å; A269-P282 WeakPolarHBondContact O-CB 3.34Å; C270-P282 VanDerWaalsContact SG-CD 3.51Å
283G95.2Very high97.4Very high82 Ų8244.2 Ų44.285%0.84524%0.243SC*.THydrogen-bonded Turntrans87-1.4177.300000115.8R281R281-G283 PolarHBondContact O-N 3Å
284D97.2Very high97.5Very high71 Ų7139.2 Ų39.238%0.3822%0.219SC..SBendtrans-80.7172.6170.1-73.5-12.8000110.3A279 D280 R281A279-D284 HydrophobicContact CB-CB 4.01Å; A279-D284 VanDerWaalsContact CB-O 3.29Å; A279-D284 WeakPolarHBondContact CB-O 3.41Å; D280-D284 WeakPolarHBondContact OD1-CB 3.36Å; D280-D284 VanDerWaalsContact OD1-OD2 3.09Å; R281-D284 IonicContact CZ-OD2 3.56Å; R281-D284 IonicContact NE-OD2 3.42Å; R281-D284 PolarHBondContact NE-OD2 3.49Å; R281-D284 IonicContact NH2-OD2 2.7Å; R281-D284 PolarHBondContact NH2-OD2 3.35Å; R281-D284 PolarHBondContact O-N 2.96Å
285M96.5Very high97.7Very high155 Ų15531.2 Ų31.276%0.76418%0.182SC*.PPolyproline II helixtrans-75137.8-179-69.8-64.6-60.900111.5A279A279-M285 VanDerWaalsContact CB-O 3.32Å; A279-M285 WeakPolarHBondContact CB-O 3.39Å
286V96.9Very high97.9Very high19 Ų1927.8 Ų27.812%0.11516%0.161CC..PPolyproline II helixtrans-78.1148.3179.7-59.90000112.8Y26 D272 F278 A279Y26-V286 HydrophobicContact CD2-CG2 4.24Å; Y26-V286 HydrophobicContact CE2-CG2 3.55Å; Y26-V286 PolarHBondContact OH-O 3.47Å; D272-V286 HydrophobicContact CB-CG1 3.53Å; F278-V286 WeakPolarHBondContact O-CA 3.44Å; A279-V286 HydrophobicContact CB-CG1 4.28Å
287D96.6Very high98Very high48 Ų4827.8 Ų27.826%0.25716%0.161SC..BIsolated β-bridgetrans-144.6161.9173.764.959.9000112.1Y26 F278 F289 H290 T291Y26-D287 WeakPolarHBondContact OH-CA 3.11Å; Y26-D287 PolarHBondContact OH-N 3.03Å; F278-D287 PolarHBondContact O-N 3.03Å; D287-F289 PolarHBondContact O-N 3.32Å; D287-F289 WeakPolarHBondContact OD1-CA 3.18Å; D287-F289 VanDerWaalsContact OD1-CB 3.26Å; D287-F289 WeakPolarHBondContact OD1-CB 3.26Å; D287-F289 PolarHBondContact OD1-N 3.01Å; D287-H290 VanDerWaalsContact CG-ND1 3.25Å; D287-H290 IonicContact OD1-CG 3.69Å; D287-H290 PolarHBondContact OD1-N 3.01Å; D287-H290 IonicContact OD1-ND1 2.81Å; D287-H290 PolarHBondContact OD1-ND1 3.17Å; D287-H290 VanDerWaalsContact OD1-ND1 3.08Å; D287-H290 IonicContact OD2-CE1 3.9Å; D287-H290 PolarHBondContact OD2-CE1 3.16Å; D287-H290 IonicContact OD2-CG 2.75Å; D287-H290 IonicContact OD2-ND1 3.79Å; D287-H290 PolarHBondContact OD2-ND1 2.85Å; D287-T291 VanDerWaalsContact O-CB 3.28Å; D287-T291 WeakPolarHBondContact O-CB 3.48Å; D287-T291 PolarHBondContact O-N 3.38Å; D287-T291 PolarHBondContact O-OG1 2.96Å
288P96.9Very high98Very high9 Ų927.9 Ų27.96%0.05816%0.162CC..Hα-helixtrans-62.2-25.8179.2-25.836.1000114.7Y26 I27 Y30 L292Y26-P288 HydrophobicContact CE1-CG 4.46Å; Y26-P288 WeakPolarHBondContact OH-CD 3.31Å; I27-P288 HydrophobicContact CD1-CB 3.9Å; I27-P288 HydrophobicContact CD1-CG 4.3Å; Y30-P288 HydrophobicContact CD1-CG 3.8Å; Y30-P288 HydrophobicContact CD2-CG 4Å; Y30-P288 HydrophobicContact CE1-CG 3.76Å; Y30-P288 HydrophobicContact CE2-CG 3.96Å; Y30-P288 HydrophobicContact CG-CG 3.93Å; P288-L292 PolarHBondContact O-N 2.65Å
289F98.2Very high98Very high46 Ų4628.5 Ų28.520%0.20217%0.166CC..Hα-helixtrans-72.5-52.4-177.4171.7-99.3000111.2W52 C240 W244 D287 T291 L292 F293W52-F289 HydrophobicContact CD2-CB 4Å; W52-F289 AromaticContact CD2-CD2 3.83Å; W52-F289 HydrophobicContact CD2-CD2 3.83Å; W52-F289 HydrophobicContact CD2-CG 4.43Å; W52-F289 AromaticContact CE2-CD2 3.51Å; W52-F289 HydrophobicContact CE3-CB 3.65Å; W52-F289 HydrophobicContact CE3-CD2 4.15Å; W52-F289 HydrophobicContact CE3-CG 4.4Å; W52-F289 HydrophobicContact CG-CD2 4.44Å; W52-F289 HydrophobicContact CH2-CB 4.46Å; W52-F289 AromaticContact CH2-CD2 3.97Å; W52-F289 HydrophobicContact CH2-CD2 3.97Å; W52-F289 AromaticContact CZ2-CD2 3.6Å; W52-F289 HydrophobicContact CZ2-CD2 3.6Å; W52-F289 HydrophobicContact CZ2-CE2 4.09Å; W52-F289 HydrophobicContact CZ3-CB 3.92Å; W52-F289 HydrophobicContact CZ3-CD2 4.23Å; W52-F289 HydrophobicContact CZ3-CG 4.5Å; W52-F289 AromaticContact NE1-CD2 3.87Å; C240-F289 HydrophobicContact CB-CD1 4.37Å; C240-F289 HydrophobicContact CB-CE1 3.5Å; C240-F289 HydrophobicContact CB-CZ 4.1Å; W244-F289 HydrophobicContact CH2-CZ 4.09Å; W244-F289 HydrophobicContact CZ2-CE2 4.5Å; W244-F289 AromaticContact CZ2-CZ 3.76Å; W244-F289 HydrophobicContact CZ2-CZ 3.76Å; D287-F289 PolarHBondContact O-N 3.32Å; D287-F289 WeakPolarHBondContact OD1-CA 3.18Å; D287-F289 VanDerWaalsContact OD1-CB 3.26Å; D287-F289 WeakPolarHBondContact OD1-CB 3.26Å; D287-F289 PolarHBondContact OD1-N 3.01Å; F289-T291 VanDerWaalsContact C-N 3.27Å; F289-T291 PolarHBondContact O-N 3.09Å; F289-L292 PolarHBondContact O-N 3Å; F289-F293 HydrophobicContact CD1-CD2 4.27Å; F289-F293 HydrophobicContact CD1-CE2 4.34Å; F289-F293 HydrophobicContact CD2-CD2 4.41Å; F289-F293 AromaticContact CD2-CE2 3.9Å; F289-F293 HydrophobicContact CD2-CE2 3.9Å; F289-F293 HydrophobicContact CD2-CZ 4.42Å; F289-F293 AromaticContact CE1-CD2 3.99Å; F289-F293 HydrophobicContact CE1-CD2 3.99Å; F289-F293 AromaticContact CE1-CE2 3.82Å; F289-F293 HydrophobicContact CE1-CE2 3.82Å; F289-F293 HydrophobicContact CE2-CD2 4.16Å; F289-F293 AromaticContact CE2-CE2 3.32Å; F289-F293 HydrophobicContact CE2-CE2 3.32Å; F289-F293 AromaticContact CE2-CZ 3.89Å; F289-F293 HydrophobicContact CE2-CZ 3.89Å; F289-F293 HydrophobicContact CG-CE2 4.41Å; F289-F293 AromaticContact CZ-CD2 3.97Å; F289-F293 HydrophobicContact CZ-CD2 3.97Å; F289-F293 AromaticContact CZ-CE2 3.32Å; F289-F293 HydrophobicContact CZ-CE2 3.32Å; F289-F293 HydrophobicContact CZ-CZ 4.27Å; F289-F293 PolarHBondContact O-N 3.17Å
290H98.8Very high98Very high18 Ų1829.6 Ų29.68%0.08317%0.171CC..Hα-helixtrans-67.8-30.4173.8-65.1102.2000111.4D238 F278 D280 D287 F293 G294D238-H290 IonicContact OD1-CD2 2.8Å; D238-H290 PolarHBondContact OD1-CD2 3.33Å; D238-H290 IonicContact OD1-NE2 3.28Å; D238-H290 PolarHBondContact OD1-NE2 2.9Å; F278-H290 WeakPolarHBondContact O-CB 3.41Å; D280-H290 WeakPolarHBondContact CB-NE2 3.24Å; D287-H290 VanDerWaalsContact CG-ND1 3.25Å; D287-H290 IonicContact OD1-CG 3.69Å; D287-H290 PolarHBondContact OD1-N 3.01Å; D287-H290 IonicContact OD1-ND1 2.81Å; D287-H290 PolarHBondContact OD1-ND1 3.17Å; D287-H290 VanDerWaalsContact OD1-ND1 3.08Å; D287-H290 IonicContact OD2-CE1 3.9Å; D287-H290 PolarHBondContact OD2-CE1 3.16Å; D287-H290 IonicContact OD2-CG 2.75Å; D287-H290 IonicContact OD2-ND1 3.79Å; D287-H290 PolarHBondContact OD2-ND1 2.85Å; H290-F293 PolarHBondContact O-N 2.55Å; H290-G294 PolarHBondContact O-N 3.2Å
291T98.8Very high98Very high0 Ų029.3 Ų29.30%017%0.17CC..Hα-helixtrans-61-46.2172.8-58.50000112.1H23 I27 V56 G277 F278 D287 F289 V295H23-T291 HydrophobicContact CB-CG2 4.4Å; I27-T291 HydrophobicContact CD1-CG2 3.96Å; I27-T291 HydrophobicContact CG1-CG2 4.09Å; V56-T291 HydrophobicContact CG1-CG2 4.45Å; V56-T291 HydrophobicContact CG2-CG2 4.24Å; G277-T291 VanDerWaalsContact CA-OG1 3.26Å; G277-T291 WeakPolarHBondContact CA-OG1 3.26Å; F278-T291 HydrophobicContact CD2-CG2 4.22Å; F278-T291 PolarHBondContact N-OG1 2.94Å; D287-T291 VanDerWaalsContact O-CB 3.28Å; D287-T291 WeakPolarHBondContact O-CB 3.48Å; D287-T291 PolarHBondContact O-N 3.38Å; D287-T291 PolarHBondContact O-OG1 2.96Å; F289-T291 VanDerWaalsContact C-N 3.27Å; F289-T291 PolarHBondContact O-N 3.09Å; T291-V295 WeakPolarHBondContact O-CG2 3.34Å; T291-V295 PolarHBondContact O-N 3.49Å
292L98.9Very high98Very high0 Ų029.4 Ų29.40%019%0.187CC..Hα-helixtrans-57.9-51.1172.8169.662.1000111.1Y51 W52 T55 V56 L59 P288 F289 G294 V295 A296Y51-L292 HydrophobicContact CE1-CD2 4.17Å; W52-L292 HydrophobicContact CB-CB 4.24Å; W52-L292 HydrophobicContact CB-CD2 4.15Å; W52-L292 HydrophobicContact CG-CD2 4.29Å; T55-L292 HydrophobicContact CG2-CD1 3.58Å; T55-L292 HydrophobicContact CG2-CD2 4.43Å; V56-L292 HydrophobicContact CB-CB 4.22Å; V56-L292 HydrophobicContact CB-CD1 4.03Å; L59-L292 HydrophobicContact CD1-CD1 3.92Å; P288-L292 PolarHBondContact O-N 2.65Å; F289-L292 PolarHBondContact O-N 3Å; L292-G294 PolarHBondContact O-N 3.21Å; L292-V295 PolarHBondContact O-N 3.2Å; L292-A296 WeakPolarHBondContact O-CB 3.28Å; L292-A296 PolarHBondContact O-N 3.28Å
293F98.9Very high98Very high14 Ų1429.2 Ų29.26%0.06118%0.184CC..Hα-helixtrans-71.4-28.5-173.7-70.3-24.3000114.2V239 C240 W243 W244 F289 H290 G297V239-F293 HydrophobicContact CG1-CB 4.17Å; C240-F293 HydrophobicContact CB-CD2 3.65Å; C240-F293 HydrophobicContact CB-CE2 4.1Å; W243-F293 HydrophobicContact CB-CB 3.69Å; W243-F293 HydrophobicContact CB-CD1 3.98Å; W243-F293 HydrophobicContact CB-CD2 4.48Å; W243-F293 HydrophobicContact CB-CG 3.82Å; W243-F293 AromaticContact CD1-CD1 3.2Å; W243-F293 AromaticContact CD1-CE1 3.24Å; W243-F293 AromaticContact CD1-CG 3.78Å; W243-F293 AromaticContact CD1-CZ 3.79Å; W243-F293 HydrophobicContact CD2-CD1 4.14Å; W243-F293 HydrophobicContact CG-CB 4.15Å; W243-F293 AromaticContact CG-CD1 3.49Å; W243-F293 HydrophobicContact CG-CD1 3.49Å; W243-F293 VanDerWaalsContact CG-CD1 3.49Å; W243-F293 HydrophobicContact CG-CE1 4.01Å; W243-F293 AromaticContact CG-CG 3.86Å; W243-F293 HydrophobicContact CG-CG 3.86Å; W243-F293 AromaticContact NE1-CD1 3.72Å; W243-F293 AromaticContact NE1-CE1 3.49Å; W244-F293 AromaticContact CE2-CE2 3.91Å; W244-F293 AromaticContact CZ2-CE2 3.86Å; W244-F293 HydrophobicContact CZ2-CE2 3.86Å; W244-F293 HydrophobicContact CZ2-CZ 4.42Å; W244-F293 AromaticContact NE1-CE2 3.7Å; W244-F293 AromaticContact NE1-CZ 3.59Å; F289-F293 HydrophobicContact CD1-CD2 4.27Å; F289-F293 HydrophobicContact CD1-CE2 4.34Å; F289-F293 HydrophobicContact CD2-CD2 4.41Å; F289-F293 AromaticContact CD2-CE2 3.9Å; F289-F293 HydrophobicContact CD2-CE2 3.9Å; F289-F293 HydrophobicContact CD2-CZ 4.42Å; F289-F293 AromaticContact CE1-CD2 3.99Å; F289-F293 HydrophobicContact CE1-CD2 3.99Å; F289-F293 AromaticContact CE1-CE2 3.82Å; F289-F293 HydrophobicContact CE1-CE2 3.82Å; F289-F293 HydrophobicContact CE2-CD2 4.16Å; F289-F293 AromaticContact CE2-CE2 3.32Å; F289-F293 HydrophobicContact CE2-CE2 3.32Å; F289-F293 AromaticContact CE2-CZ 3.89Å; F289-F293 HydrophobicContact CE2-CZ 3.89Å; F289-F293 HydrophobicContact CG-CE2 4.41Å; F289-F293 AromaticContact CZ-CD2 3.97Å; F289-F293 HydrophobicContact CZ-CD2 3.97Å; F289-F293 AromaticContact CZ-CE2 3.32Å; F289-F293 HydrophobicContact CZ-CE2 3.32Å; F289-F293 HydrophobicContact CZ-CZ 4.27Å; F289-F293 PolarHBondContact O-N 3.17Å; H290-F293 PolarHBondContact O-N 2.55Å; F293-G297 PolarHBondContact O-N 2.8Å
294G98.8Very high98Very high0 Ų034.7 Ų34.70%019%0.188CC..Hα-helixtrans-63.7-53.4169.700000111.1H290 L292 G297 L298H290-G294 PolarHBondContact O-N 3.2Å; L292-G294 PolarHBondContact O-N 3.21Å; G294-G297 PolarHBondContact O-N 3.45Å; G294-L298 VanDerWaalsContact O-CG 3.32Å; G294-L298 WeakPolarHBondContact O-CG 3.16Å; G294-L298 PolarHBondContact O-N 3.42Å
295V98.9Very high98Very high0 Ų034.4 Ų34.40%020%0.195CC..Hα-helixtrans-63.4-45.1179.3172.10000111.6V56 L59 M60 F278 T291 L292 G297 L298 S299 I306V56-V295 HydrophobicContact CG2-CB 3.6Å; V56-V295 HydrophobicContact CG2-CG1 3.81Å; V56-V295 HydrophobicContact CG2-CG2 3.58Å; L59-V295 HydrophobicContact CB-CG1 4.12Å; L59-V295 HydrophobicContact CD1-CG1 4.41Å; M60-V295 HydrophobicContact CG-CG1 4.15Å; M60-V295 HydrophobicContact SD-CG2 4.4Å; F278-V295 HydrophobicContact CE2-CG2 3.85Å; T291-V295 WeakPolarHBondContact O-CG2 3.34Å; T291-V295 PolarHBondContact O-N 3.49Å; L292-V295 PolarHBondContact O-N 3.2Å; V295-G297 PolarHBondContact O-N 3.23Å; V295-L298 PolarHBondContact O-N 3.45Å; V295-S299 PolarHBondContact O-N 3.31Å; V295-I306 HydrophobicContact CG1-CD1 4.03Å; V295-I306 HydrophobicContact CG1-CG1 4.39Å; V295-I306 HydrophobicContact CG1-CG2 3.61Å; V295-I306 WeakPolarHBondContact O-CD1 3.38Å
296A98.9Very high98.1Very high0 Ų027.4 Ų27.40%016%0.161CC..Hα-helixtrans-63.6-41.217700000111.7L59 W243 L292 L298 S299 L300 V309L59-A296 HydrophobicContact CD1-CB 4.2Å; W243-A296 HydrophobicContact CD2-CB 4.18Å; W243-A296 HydrophobicContact CE3-CB 3.63Å; W243-A296 HydrophobicContact CH2-CB 4.04Å; W243-A296 HydrophobicContact CZ3-CB 3.55Å; L292-A296 WeakPolarHBondContact O-CB 3.28Å; L292-A296 PolarHBondContact O-N 3.28Å; A296-L298 PolarHBondContact O-N 3.27Å; A296-S299 WeakPolarHBondContact O-CB 3.48Å; A296-S299 PolarHBondContact O-N 3.43Å; A296-L300 WeakPolarHBondContact O-CB 3.29Å; A296-L300 PolarHBondContact O-N 3.44Å; A296-V309 HydrophobicContact CB-CG1 4.21Å; A296-V309 HydrophobicContact CB-CG2 4.16Å; A296-V309 WeakPolarHBondContact O-CG1 3.32Å
297G98.8Very high98.2Very high1 Ų129.3 Ų29.31%0.0117%0.167CC..Hα-helixtrans-59.8-45.4174.200000112.4F293 G294 V295 L300 L301F293-G297 PolarHBondContact O-N 2.8Å; G294-G297 PolarHBondContact O-N 3.45Å; V295-G297 PolarHBondContact O-N 3.23Å; G297-L300 PolarHBondContact O-N 3.16Å; G297-L301 VanDerWaalsContact O-CG 3.26Å; G297-L301 WeakPolarHBondContact O-CG 3.32Å; G297-L301 PolarHBondContact O-N 2.99Å
298L98.9Very high98.3Very high1 Ų131.3 Ų31.31%0.00518%0.183CC..Hα-helixtrans-63.8-42.2176.5-68.6172.1000112.4L18 Q264 I267 L268 F278 G294 V295 A296 L300 L301 G302 D303 I306L18-L298 HydrophobicContact CD1-CD1 3.69Å; L18-L298 HydrophobicContact CD2-CD1 4.45Å; Q264-L298 HydrophobicContact CG-CD2 3.74Å; I267-L298 HydrophobicContact CB-CD2 4.26Å; I267-L298 HydrophobicContact CG2-CD1 4.09Å; I267-L298 HydrophobicContact CG2-CD2 4.05Å; I267-L298 HydrophobicContact CG2-CG 3.81Å; L268-L298 HydrophobicContact CD2-CD1 3.91Å; L268-L298 HydrophobicContact CD2-CD2 4.25Å; L268-L298 HydrophobicContact CG-CD2 4.24Å; F278-L298 HydrophobicContact CE1-CD1 4.38Å; F278-L298 HydrophobicContact CZ-CD1 4.03Å; G294-L298 VanDerWaalsContact O-CG 3.32Å; G294-L298 WeakPolarHBondContact O-CG 3.16Å; G294-L298 PolarHBondContact O-N 3.42Å; V295-L298 PolarHBondContact O-N 3.45Å; A296-L298 PolarHBondContact O-N 3.27Å; L298-L300 VanDerWaalsContact C-N 3.34Å; L298-L300 PolarHBondContact O-N 3.16Å; L298-L301 PolarHBondContact O-N 2.95Å; L298-G302 PolarHBondContact O-N 3.1Å; L298-D303 HydrophobicContact CB-CB 4.27Å; L298-D303 WeakPolarHBondContact O-CB 3.45Å; L298-D303 PolarHBondContact O-N 3.38Å; L298-I306 HydrophobicContact CB-CD1 3.64Å
299S98.8Very high98.4Very high13 Ų1331.1 Ų31.19%0.09118%0.182CC..Hα-helixtrans-56.2-47.8172.5173.80000111.4V295 A296 L301 G302 K307 V309V295-S299 PolarHBondContact O-N 3.31Å; A296-S299 WeakPolarHBondContact O-CB 3.48Å; A296-S299 PolarHBondContact O-N 3.43Å; S299-L301 VanDerWaalsContact C-N 3.25Å; S299-L301 PolarHBondContact O-N 2.86Å; S299-G302 PolarHBondContact O-N 3.22Å; S299-K307 PolarHBondContact OG-O 2.9Å; S299-V309 PolarHBondContact OG-N 2.81Å; S299-V309 VanDerWaalsContact OG-N 3.13Å
300L98.3Very high98.4Very high24 Ų2429.1 Ų29.113%0.12617%0.173CC..Hα-helixtrans-70.2-21.8-178.9-15068.8000113.4W243 L246 A247 K250 I255 A296 G297 L298 G302 V309 P311W243-L300 HydrophobicContact CH2-CD2 4.43Å; W243-L300 HydrophobicContact CZ3-CB 4.28Å; W243-L300 HydrophobicContact CZ3-CD2 3.94Å; L246-L300 HydrophobicContact CD2-CB 4.01Å; L246-L300 HydrophobicContact CD2-CD2 4.17Å; L246-L300 HydrophobicContact CD2-CG 4.49Å; L246-L300 HydrophobicContact CG-CD2 4.05Å; A247-L300 HydrophobicContact CB-CD2 4.41Å; K250-L300 HydrophobicContact CB-CD2 3.99Å; K250-L300 HydrophobicContact CG-CD1 4.24Å; K250-L300 HydrophobicContact CG-CD2 4.37Å; K250-L300 HydrophobicContact CG-CG 4.48Å; I255-L300 HydrophobicContact CD1-CG 4.28Å; A296-L300 WeakPolarHBondContact O-CB 3.29Å; A296-L300 PolarHBondContact O-N 3.44Å; G297-L300 PolarHBondContact O-N 3.16Å; L298-L300 VanDerWaalsContact C-N 3.34Å; L298-L300 PolarHBondContact O-N 3.16Å; L300-G302 VanDerWaalsContact C-N 3.31Å; L300-V309 HydrophobicContact CB-CG1 4.28Å; L300-V309 HydrophobicContact CD1-CG1 4.08Å; L300-P311 HydrophobicContact CD1-CB 4.25Å; L300-P311 HydrophobicContact CD2-CB 4.17Å
301L98.6Very high98.4Very high24 Ų2428.3 Ų28.313%0.12617%0.169CC..Hα-helixtrans-81-8.7170.8-68.9173.3000113.4L246 I258 K260 L263 Q264 I267 G297 L298 S299L246-L301 HydrophobicContact CD1-CD2 3.95Å; L246-L301 HydrophobicContact CD2-CD1 4.47Å; L246-L301 HydrophobicContact CD2-CD2 3.85Å; L246-L301 HydrophobicContact CD2-CG 3.78Å; I258-L301 HydrophobicContact CD1-CD2 4.44Å; K260-L301 HydrophobicContact CB-CD2 3.89Å; K260-L301 HydrophobicContact CD-CD2 4.23Å; K260-L301 HydrophobicContact CG-CD2 3.82Å; L263-L301 HydrophobicContact CB-CD1 4.33Å; L263-L301 HydrophobicContact CD2-CD1 4.19Å; L263-L301 HydrophobicContact CD2-CD2 4.35Å; L263-L301 HydrophobicContact CG-CD1 4.06Å; Q264-L301 HydrophobicContact CB-CD1 4.06Å; I267-L301 HydrophobicContact CD1-CD1 4.06Å; G297-L301 VanDerWaalsContact O-CG 3.26Å; G297-L301 WeakPolarHBondContact O-CG 3.32Å; G297-L301 PolarHBondContact O-N 2.99Å; L298-L301 PolarHBondContact O-N 2.95Å; S299-L301 VanDerWaalsContact C-N 3.25Å; S299-L301 PolarHBondContact O-N 2.86Å
302G97.3Very high98.4Very high54 Ų5428.3 Ų28.356%0.55717%0.169SC*.THydrogen-bonded Turntrans10323.7173.300000115L298 S299 L300 E304L298-G302 PolarHBondContact O-N 3.1Å; S299-G302 PolarHBondContact O-N 3.22Å; L300-G302 VanDerWaalsContact C-N 3.31Å; G302-E304 PolarHBondContact O-N 3.32Å
303D97.4Very high98.4Very high35 Ų3528.3 Ų28.319%0.18717%0.17CC..  trans-70.2112.9171.6-163-53.1000110.7L298 A305 I306L298-D303 HydrophobicContact CB-CB 4.27Å; L298-D303 WeakPolarHBondContact O-CB 3.45Å; L298-D303 PolarHBondContact O-N 3.38Å; D303-A305 VanDerWaalsContact C-N 3.25Å; D303-A305 PolarHBondContact O-N 2.98Å; D303-A305 VanDerWaalsContact OD1-CB 3.31Å; D303-A305 WeakPolarHBondContact OD1-CB 3.5Å; D303-A305 PolarHBondContact OD1-N 2.88Å; D303-I306 HydrophobicContact CB-CD1 4.1Å; D303-I306 HydrophobicContact CB-CG1 4.49Å; D303-I306 PolarHBondContact O-N 3.2Å
304E96.4Very high98.4Very high196 Ų19627.8 Ų27.892%0.91617%0.167SC*.THydrogen-bonded Turntrans-74-11.9-174.9-61.6-175.9170.700113.8G302 I306G302-E304 PolarHBondContact O-N 3.32Å; E304-I306 PolarHBondContact O-N 3.22Å
305A97.3Very high98.4Very high65 Ų6527.8 Ų27.854%0.53717%0.167SC..THydrogen-bonded Turntrans-76.9-13.6176.100000112.7D303D303-A305 VanDerWaalsContact C-N 3.25Å; D303-A305 PolarHBondContact O-N 2.98Å; D303-A305 VanDerWaalsContact OD1-CB 3.31Å; D303-A305 WeakPolarHBondContact OD1-CB 3.5Å; D303-A305 PolarHBondContact OD1-N 2.88Å
306I98.6Very high98.4Very high8 Ų827.8 Ų27.84%0.04117%0.167CC..SBendtrans-110.9139.8-177.2-49.8168.2000108.2L18 L20 L59 V295 L298 D303 E304L18-I306 HydrophobicContact CD2-CD1 3.89Å; L18-I306 HydrophobicContact CD2-CG1 4.13Å; L20-I306 HydrophobicContact CD1-CG1 4.34Å; L59-I306 HydrophobicContact CB-CG2 3.95Å; L59-I306 WeakPolarHBondContact O-CG2 3.41Å; V295-I306 HydrophobicContact CG1-CD1 4.03Å; V295-I306 HydrophobicContact CG1-CG1 4.39Å; V295-I306 HydrophobicContact CG1-CG2 3.61Å; V295-I306 WeakPolarHBondContact O-CD1 3.38Å; L298-I306 HydrophobicContact CB-CD1 3.64Å; D303-I306 HydrophobicContact CB-CD1 4.1Å; D303-I306 HydrophobicContact CB-CG1 4.49Å; D303-I306 PolarHBondContact O-N 3.2Å; E304-I306 PolarHBondContact O-N 3.22Å
307K98.7Very high98.4Very high59 Ų5930.1 Ų30.126%0.25718%0.178SC..PPolyproline II helixtrans-56.7147.7173.3-66.6-172.5-177.1-176.50110.7D58 L59 S299 V309 P316 D318D58-K307 VanDerWaalsContact O-CD 3.28Å; D58-K307 WeakPolarHBondContact O-CD 3.14Å; D58-K307 WeakPolarHBondContact O-CE 3.32Å; D58-K307 IonicContact OD1-NZ 3.57Å; D58-K307 PolarHBondContact OD1-NZ 3.38Å; L59-K307 HydrophobicContact CD2-CB 4.29Å; L59-K307 PolarHBondContact O-N 3.35Å; S299-K307 PolarHBondContact OG-O 2.9Å; K307-V309 PolarHBondContact O-N 3.29Å; K307-P316 HydrophobicContact CD-CB 4.4Å; K307-D318 IonicContact NZ-OD2 2.55Å; K307-D318 PolarHBondContact NZ-OD2 3.36Å; K307-D318 VanDerWaalsContact NZ-OD2 3.13Å
308P98.7Very high98.4Very high91 Ų9133.3 Ų33.359%0.59120%0.195SC*.PPolyproline II helixtrans-56.9126.5171.1-24.634.6000111.3E317P308-E317 HydrophobicContact CB-CB 4.27Å; P308-E317 HydrophobicContact CB-CG 3.95Å; P308-E317 PolarHBondContact O-N 2.92Å
309V98.8Very high98.4Very high4 Ų433.2 Ų33.22%0.02420%0.195CC..BIsolated β-bridgetrans-99.3138.6175.269.50000110.8L59 W243 A296 S299 L300 K307L59-V309 HydrophobicContact CD1-CB 4.41Å; L59-V309 HydrophobicContact CD1-CG2 4.14Å; L59-V309 HydrophobicContact CD2-CB 3.77Å; L59-V309 HydrophobicContact CD2-CG2 4.04Å; W243-V309 HydrophobicContact CH2-CG1 3.81Å; W243-V309 HydrophobicContact CH2-CG2 3.96Å; W243-V309 HydrophobicContact CZ3-CG1 3.78Å; A296-V309 HydrophobicContact CB-CG1 4.21Å; A296-V309 HydrophobicContact CB-CG2 4.16Å; A296-V309 WeakPolarHBondContact O-CG1 3.32Å; S299-V309 PolarHBondContact OG-N 2.81Å; S299-V309 VanDerWaalsContact OG-N 3.13Å; L300-V309 HydrophobicContact CB-CG1 4.28Å; L300-V309 HydrophobicContact CD1-CG1 4.08Å; K307-V309 PolarHBondContact O-N 3.29Å
310N98.7Very high98.3Very high4 Ų432.6 Ų32.62%0.02119%0.19CC..PPolyproline II helixtrans-76.4126.5173.3-173.9-88.4000110.8V312 L313 C314 M315 E317 L320N310-V312 PolarHBondContact O-N 3.45Å; N310-V312 WeakPolarHBondContact OD1-CA 3.49Å; N310-V312 VanDerWaalsContact OD1-CB 3.3Å; N310-V312 WeakPolarHBondContact OD1-CB 3.36Å; N310-V312 PolarHBondContact OD1-N 3.4Å; N310-L313 PolarHBondContact OD1-N 3.44Å; N310-L313 VanDerWaalsContact OD1-N 3.09Å; N310-C314 VanDerWaalsContact O-CA 3.28Å; N310-C314 WeakPolarHBondContact O-CA 3.48Å; N310-C314 PolarHBondContact O-N 3.26Å; N310-M315 WeakPolarHBondContact CB-O 3.41Å; N310-M315 PolarHBondContact N-O 3Å; N310-E317 VanDerWaalsContact CA-OE1 3.3Å; N310-E317 WeakPolarHBondContact CA-OE1 3.48Å; N310-E317 HydrophobicContact CB-CG 4.27Å; N310-E317 PolarHBondContact ND2-OE1 3.27Å; N310-E317 VanDerWaalsContact ND2-OE1 3.15Å; N310-E317 PolarHBondContact ND2-OE2 2.94Å; N310-L320 HydrophobicContact CB-CD1 3.4Å; N310-L320 VanDerWaalsContact CB-CD1 3.4Å; N310-L320 HydrophobicContact CB-CG 4.44Å
311P98.8Very high98.3Very high1 Ų138.3 Ų38.31%0.00622%0.217CC..THydrogen-bonded Turntrans-72.6-14.4-176.631.7-38.1000113.6Y195 A247 K250 I251 L300 L329Y195-P311 VanDerWaalsContact CE2-O 3.25Å; Y195-P311 WeakPolarHBondContact CE2-O 3.26Å; A247-P311 HydrophobicContact CB-CB 4.17Å; A247-P311 WeakPolarHBondContact CB-O 3.45Å; K250-P311 HydrophobicContact CB-CB 4.04Å; K250-P311 HydrophobicContact CB-CG 4.37Å; K250-P311 HydrophobicContact CG-CB 3.88Å; K250-P311 HydrophobicContact CG-CG 3.72Å; I251-P311 HydrophobicContact CG1-CB 4.15Å; I251-P311 HydrophobicContact CG1-CG 4.2Å; L300-P311 HydrophobicContact CD1-CB 4.25Å; L300-P311 HydrophobicContact CD2-CB 4.17Å; P311-L329 HydrophobicContact CG-CD1 4.26Å; P311-L329 HydrophobicContact CG-CD2 3.92Å
312V98.8Very high98.2Very high0 Ų042.6 Ų42.60%023%0.231CC..THydrogen-bonded Turntrans-90.9-43.3-177.1175.70000111.1F147 Y195 S202 L203 I251 N310 P327 L329F147-V312 HydrophobicContact CE2-CG1 4.5Å; F147-V312 WeakPolarHBondContact CE2-O 3.29Å; F147-V312 VanDerWaalsContact CZ-O 3.25Å; F147-V312 WeakPolarHBondContact CZ-O 3.27Å; Y195-V312 PolarHBondContact OH-O 2.99Å; Y195-V312 VanDerWaalsContact OH-O 3.1Å; S202-V312 VanDerWaalsContact OG-CG2 3.28Å; S202-V312 WeakPolarHBondContact OG-CG2 2.99Å; L203-V312 HydrophobicContact CD1-CG1 4.06Å; L203-V312 HydrophobicContact CD2-CG1 4.1Å; L203-V312 HydrophobicContact CG-CG1 3.76Å; I251-V312 HydrophobicContact CD1-CG2 3.78Å; I251-V312 HydrophobicContact CG1-CG2 3.75Å; N310-V312 PolarHBondContact O-N 3.45Å; N310-V312 WeakPolarHBondContact OD1-CA 3.49Å; N310-V312 VanDerWaalsContact OD1-CB 3.3Å; N310-V312 WeakPolarHBondContact OD1-CB 3.36Å; N310-V312 PolarHBondContact OD1-N 3.4Å; V312-P327 HydrophobicContact CB-CB 4.03Å; V312-P327 HydrophobicContact CB-CG 4.13Å; V312-P327 HydrophobicContact CG1-CB 4.11Å; V312-P327 HydrophobicContact CG1-CG 4.25Å; V312-P327 HydrophobicContact CG2-CB 3.8Å; V312-P327 HydrophobicContact CG2-CG 4.39Å; V312-L329 HydrophobicContact CG2-CD2 3.96Å
313L98.7Very high98.2Very high1 Ų142.4 Ų42.41%0.00522%0.219CC..THydrogen-bonded Turntrans-106.8-5.9-175.5-68.3173.3000113.9Y51 Q103 F147 A151 L155 L203 N310 M315 L320 L325Y51-L313 PolarHBondContact OH-O 2.88Å; Q103-L313 PolarHBondContact NE2-O 3.06Å; F147-L313 HydrophobicContact CZ-CD2 4.38Å; A151-L313 HydrophobicContact CB-CD2 3.59Å; L155-L313 HydrophobicContact CD2-CD1 3.96Å; L155-L313 HydrophobicContact CG-CD1 4.24Å; L203-L313 HydrophobicContact CD1-CD2 4.29Å; N310-L313 PolarHBondContact OD1-N 3.44Å; N310-L313 VanDerWaalsContact OD1-N 3.09Å; L313-M315 HydrophobicContact CB-CG 4.4Å; L313-M315 HydrophobicContact CB-SD 4.35Å; L313-M315 PolarHBondContact O-N 3.45Å; L313-L320 HydrophobicContact CB-CD1 4.31Å; L313-L320 HydrophobicContact CD1-CD1 3.87Å; L313-L320 HydrophobicContact CD1-CD2 3.6Å; L313-L320 HydrophobicContact CD1-CG 4.42Å; L313-L325 HydrophobicContact CD1-CD2 3.58Å
314C98.8Very high98.1Very high2 Ų244 Ų441%0.01424%0.244CC..  trans52.940.3-175-1690000112.2Y51 T55 W243 N310Y51-C314 PolarHBondContact OH-O 3.38Å; T55-C314 WeakPolarHBondContact CG2-O 3.27Å; W243-C314 HydrophobicContact CH2-CB 4.44Å; W243-C314 HydrophobicContact CZ2-CB 3.52Å; W243-C314 VanDerWaalsContact CZ2-SG 3.51Å; N310-C314 VanDerWaalsContact O-CA 3.28Å; N310-C314 WeakPolarHBondContact O-CA 3.48Å; N310-C314 PolarHBondContact O-N 3.26Å
315M98.8Very high98.2Very high0 Ų036.3 Ų36.30%021%0.209CC..SBendtrans-123.5156.5178.9-70.2174.770.500110Y51 Q103 C106 L107 L155 N310 L313 E317 V319 L320Y51-M315 HydrophobicContact CE2-CG 4.28Å; Q103-M315 HydrophobicContact CB-CE 4.31Å; Q103-M315 HydrophobicContact CB-SD 3.87Å; Q103-M315 HydrophobicContact CG-SD 3.72Å; Q103-M315 WeakPolarHBondContact O-CE 3.31Å; C106-M315 HydrophobicContact CB-CE 3.86Å; L107-M315 HydrophobicContact CD2-CE 3.9Å; L107-M315 HydrophobicContact CG-CE 4.11Å; L155-M315 HydrophobicContact CD1-SD 4.38Å; L155-M315 HydrophobicContact CD2-SD 4.45Å; N310-M315 WeakPolarHBondContact CB-O 3.41Å; N310-M315 PolarHBondContact N-O 3Å; L313-M315 HydrophobicContact CB-CG 4.4Å; L313-M315 HydrophobicContact CB-SD 4.35Å; L313-M315 PolarHBondContact O-N 3.45Å; M315-E317 PolarHBondContact O-N 3.44Å; M315-V319 HydrophobicContact CE-CG1 3.7Å; M315-L320 HydrophobicContact CB-CD2 4.4Å; M315-L320 HydrophobicContact SD-CD2 4.28Å
316P98.8Very high98.1Very high0 Ų042 Ų420%023%0.225CC..BIsolated β-bridgetrans-53.6133.4171.1-25.735.4000111.9D58 L59 L107 K307 D318 V319 L320D58-P316 HydrophobicContact CB-CG 4Å; L59-P316 HydrophobicContact CD2-CB 4.23Å; L59-P316 HydrophobicContact CD2-CG 3.82Å; L59-P316 HydrophobicContact CG-CG 4.1Å; L107-P316 HydrophobicContact CD2-CG 4.34Å; K307-P316 HydrophobicContact CD-CB 4.4Å; P316-D318 WeakPolarHBondContact CB-OD1 3.25Å; P316-D318 PolarHBondContact O-N 3.42Å; P316-V319 HydrophobicContact CB-CG2 4.12Å; P316-V319 HydrophobicContact CG-CG2 4.44Å; P316-V319 WeakPolarHBondContact O-CB 3.33Å; P316-V319 PolarHBondContact O-N 3.33Å; P316-V319 VanDerWaalsContact O-N 3.12Å; P316-L320 PolarHBondContact O-N 3.02Å
317E98.5Very high97.9Very high50 Ų5042.3 Ų42.323%0.23423%0.227CC..Hα-helixtrans-61.9-31.4-177.3-71.7-76.6-164.700112.5P308 N310 M315 V319 L320 Q321P308-E317 HydrophobicContact CB-CB 4.27Å; P308-E317 HydrophobicContact CB-CG 3.95Å; P308-E317 PolarHBondContact O-N 2.92Å; N310-E317 VanDerWaalsContact CA-OE1 3.3Å; N310-E317 WeakPolarHBondContact CA-OE1 3.48Å; N310-E317 HydrophobicContact CB-CG 4.27Å; N310-E317 PolarHBondContact ND2-OE1 3.27Å; N310-E317 VanDerWaalsContact ND2-OE1 3.15Å; N310-E317 PolarHBondContact ND2-OE2 2.94Å; M315-E317 PolarHBondContact O-N 3.44Å; E317-V319 VanDerWaalsContact C-N 3.28Å; E317-V319 PolarHBondContact O-N 3.34Å; E317-L320 PolarHBondContact O-N 3.22Å; E317-Q321 VanDerWaalsContact O-CG 3.27Å; E317-Q321 WeakPolarHBondContact O-CG 3.09Å; E317-Q321 PolarHBondContact O-N 3.47Å
318D98.3Very high97.8Very high67 Ų6743 Ų4336%0.35823%0.233SC..Hα-helixtrans-64.1-31.3176.760.6-22000112.6K307 P316 R322K307-D318 IonicContact NZ-OD2 2.55Å; K307-D318 PolarHBondContact NZ-OD2 3.36Å; K307-D318 VanDerWaalsContact NZ-OD2 3.13Å; P316-D318 WeakPolarHBondContact CB-OD1 3.25Å; P316-D318 PolarHBondContact O-N 3.42Å; D318-R322 WeakPolarHBondContact O-CB 3.49Å; D318-R322 PolarHBondContact O-N 2.93Å; D318-R322 VanDerWaalsContact O-N 3.1Å
319V98.6Very high97.7Very high0 Ų041.4 Ų41.40%022%0.22CC..Hα-helixtrans-69.5-43.1174176.10000110.9C106 L107 M315 P316 E317 R322 V323C106-V319 HydrophobicContact CB-CG1 4.27Å; L107-V319 HydrophobicContact CD2-CG1 4.39Å; L107-V319 HydrophobicContact CD2-CG2 4Å; M315-V319 HydrophobicContact CE-CG1 3.7Å; P316-V319 HydrophobicContact CB-CG2 4.12Å; P316-V319 HydrophobicContact CG-CG2 4.44Å; P316-V319 WeakPolarHBondContact O-CB 3.33Å; P316-V319 PolarHBondContact O-N 3.33Å; P316-V319 VanDerWaalsContact O-N 3.12Å; E317-V319 VanDerWaalsContact C-N 3.28Å; E317-V319 PolarHBondContact O-N 3.34Å; V319-R322 WeakPolarHBondContact O-CB 3.02Å; V319-R322 PolarHBondContact O-N 2.7Å; V319-V323 PolarHBondContact O-N 2.71Å
320L98.3Very high97.7Very high0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-67.3-39.5178.6-60.8-169.1000112.3L155 N310 L313 M315 P316 E317 R322 V323 G324 L325L155-L320 HydrophobicContact CD2-CD2 3.86Å; N310-L320 HydrophobicContact CB-CD1 3.4Å; N310-L320 VanDerWaalsContact CB-CD1 3.4Å; N310-L320 HydrophobicContact CB-CG 4.44Å; L313-L320 HydrophobicContact CB-CD1 4.31Å; L313-L320 HydrophobicContact CD1-CD1 3.87Å; L313-L320 HydrophobicContact CD1-CD2 3.6Å; L313-L320 HydrophobicContact CD1-CG 4.42Å; M315-L320 HydrophobicContact CB-CD2 4.4Å; M315-L320 HydrophobicContact SD-CD2 4.28Å; P316-L320 PolarHBondContact O-N 3.02Å; E317-L320 PolarHBondContact O-N 3.22Å; L320-R322 VanDerWaalsContact C-N 3.3Å; L320-R322 PolarHBondContact O-N 2.7Å; L320-V323 VanDerWaalsContact O-CG2 3.31Å; L320-V323 WeakPolarHBondContact O-CG2 3.48Å; L320-V323 PolarHBondContact O-N 3.31Å; L320-G324 PolarHBondContact O-N 3.1Å; L320-L325 PolarHBondContact O-N 3.43Å
321Q97.6Very high97.2Very high144 Ų14450.7 Ų50.767%0.67328%0.28SS*.Hα-helixtrans-59-41.9172.3-71.717019.700111.8E317 V323 G324E317-Q321 VanDerWaalsContact O-CG 3.27Å; E317-Q321 WeakPolarHBondContact O-CG 3.09Å; E317-Q321 PolarHBondContact O-N 3.47Å; Q321-V323 VanDerWaalsContact C-N 3.35Å; Q321-V323 PolarHBondContact O-N 3.48Å; Q321-G324 PolarHBondContact O-N 3.33Å; Q321-G324 VanDerWaalsContact O-N 3.11Å
322R97.2Very high97.1Very high114 Ų11453.2 Ų53.243%0.4329%0.294SS..Hα-helixtrans-62-40.1177.8-179.6175.164.4-127.48.8112.5C106 L107 D318 V319 L320 G324C106-R322 PolarHBondContact O-NH2 3.21Å; L107-R322 PolarHBondContact O-NH2 2.98Å; D318-R322 WeakPolarHBondContact O-CB 3.49Å; D318-R322 PolarHBondContact O-N 2.93Å; D318-R322 VanDerWaalsContact O-N 3.1Å; V319-R322 WeakPolarHBondContact O-CB 3.02Å; V319-R322 PolarHBondContact O-N 2.7Å; L320-R322 VanDerWaalsContact C-N 3.3Å; L320-R322 PolarHBondContact O-N 2.7Å; R322-G324 VanDerWaalsContact C-N 3.26Å; R322-G324 PolarHBondContact O-N 3.06Å
323V95.6Very high97Very high49 Ų4955.9 Ų55.930%0.29731%0.31SS..THydrogen-bonded Turntrans-84.11.3176.7-56.30000113.3L155 V319 L320 Q321 L325L155-V323 HydrophobicContact CD2-CG2 4.37Å; V319-V323 PolarHBondContact O-N 2.71Å; L320-V323 VanDerWaalsContact O-CG2 3.31Å; L320-V323 WeakPolarHBondContact O-CG2 3.48Å; L320-V323 PolarHBondContact O-N 3.31Å; Q321-V323 VanDerWaalsContact C-N 3.35Å; Q321-V323 PolarHBondContact O-N 3.48Å; V323-L325 VanDerWaalsContact C-N 3.34Å; V323-L325 HydrophobicContact CG2-CB 4.01Å; V323-L325 PolarHBondContact O-N 2.85Å
324G96.8Very high97Very high70 Ų7059 Ų5972%0.72233%0.326SS*.THydrogen-bonded Turntrans71.823.9177.400000114.4L320 Q321 R322L320-G324 PolarHBondContact O-N 3.1Å; Q321-G324 PolarHBondContact O-N 3.33Å; Q321-G324 VanDerWaalsContact O-N 3.11Å; R322-G324 VanDerWaalsContact C-N 3.26Å; R322-G324 PolarHBondContact O-N 3.06Å
325L97.6Very high96.8Very high34 Ų3462.4 Ų62.418%0.17835%0.345CS..  trans-103.6122.6179.8-178.660.3000110.6A154 L155 L203 L313 L320 V323 P327A154-L325 HydrophobicContact CB-CD1 4.07Å; A154-L325 HydrophobicContact CB-CD2 3.85Å; L155-L325 HydrophobicContact CD2-CD2 4.04Å; L155-L325 HydrophobicContact CG-CD2 4.36Å; L203-L325 HydrophobicContact CD2-CD1 4.39Å; L203-L325 HydrophobicContact CD2-CD2 4.32Å; L313-L325 HydrophobicContact CD1-CD2 3.58Å; L320-L325 PolarHBondContact O-N 3.43Å; V323-L325 VanDerWaalsContact C-N 3.34Å; V323-L325 HydrophobicContact CG2-CB 4.01Å; V323-L325 PolarHBondContact O-N 2.85Å; L325-P327 HydrophobicContact CG-CG 4.47Å
326Q94.9Very high96.7Very high185 Ų18566.3 Ų66.386%0.86437%0.366SS*.  trans-128.597.2174.4-172.7176.24.400109.5
327P95.3Very high96.6Very high13 Ų1370.7 Ų70.78%0.08439%0.391CS..  trans-62.9146.5176.3-21.433.8000112.1S202 L203 V312 L325S202-P327 WeakPolarHBondContact OG-CB 3.49Å; L203-P327 HydrophobicContact CD2-CB 4.12Å; L203-P327 HydrophobicContact CD2-CG 3.9Å; V312-P327 HydrophobicContact CB-CB 4.03Å; V312-P327 HydrophobicContact CB-CG 4.13Å; V312-P327 HydrophobicContact CG1-CB 4.11Å; V312-P327 HydrophobicContact CG1-CG 4.25Å; V312-P327 HydrophobicContact CG2-CB 3.8Å; V312-P327 HydrophobicContact CG2-CG 4.39Å; L325-P327 HydrophobicContact CG-CG 4.47Å
328D95.9Very high96.5Very high73 Ų7372.1 Ų72.139%0.3940%0.402SS..  trans-70.6144.2177.4-173.327.3000111.2S202 L207S202-D328 VanDerWaalsContact CB-O 3.29Å; S202-D328 WeakPolarHBondContact CB-O 3.43Å; S202-D328 PolarHBondContact O-N 2.86Å; S202-D328 PolarHBondContact OG-N 2.77Å; S202-D328 PolarHBondContact OG-O 3.43Å; L207-D328 HydrophobicContact CD1-CB 4.28Å; L207-D328 VanDerWaalsContact CD1-O 3.24Å; L207-D328 WeakPolarHBondContact CD1-O 3.38Å
329L98.1Very high96.3Very high59 Ų5972.5 Ų72.531%0.30941%0.405SS..  trans-138.7139.1175.4-55.9175.4000108.6I251 P311 V312I251-L329 HydrophobicContact CB-CD2 4.2Å; I251-L329 HydrophobicContact CG1-CD2 3.85Å; I251-L329 HydrophobicContact CG2-CD2 4.37Å; P311-L329 HydrophobicContact CG-CD1 4.26Å; P311-L329 HydrophobicContact CG-CD2 3.92Å; V312-L329 HydrophobicContact CG2-CD2 3.96Å
330L97.6Very high96.1Very high51 Ų5178.6 Ų78.627%0.26744%0.439SS..  trans-74.4148.7170.9-57-177000110.5L207 A212 I251 I252 G253L207-L330 HydrophobicContact CB-CD1 4.33Å; L207-L330 HydrophobicContact CB-CD2 3.8Å; L207-L330 HydrophobicContact CB-CG 3.96Å; L207-L330 HydrophobicContact CD1-CD2 4.43Å; L207-L330 HydrophobicContact CD1-CG 4.17Å; A212-L330 HydrophobicContact CB-CD1 3.92Å; I251-L330 PolarHBondContact O-N 2.86Å; I252-L330 HydrophobicContact CB-CD1 4.38Å; G253-L330 VanDerWaalsContact CA-O 3.29Å; G253-L330 WeakPolarHBondContact CA-O 3.48Å; G253-L330 PolarHBondContact N-O 2.79Å
331S88.6Confident95.9Very high151 Ų15185.7 Ų85.7100%1.05648%0.479SS*.  trans-86.20173.562.50000112.4

Retrieved 331 of 331 residues in 678.7 ms (Link to these results)

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