A0A077ZKL8_TRITR Loading...

Gamma-aminobutyric acid type B receptor subunit 2

AlphaFold DB , UniProt , Accession A0A077ZKL8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 436 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
1M35.4Very low43.7Very low245 Ų245124.3 Ų124.3100%1.20767%0.666SS**  085.90-69.8175.2-177.700108.5
2T37.5Very low46.1Very low141 Ų141125.2 Ų125.287%0.86566%0.659SS**  trans-88.3109.6173.4380000108.2S4T2-S4 PolarHBondContact O-N 3.33Å; T2-S4 VanDerWaalsContact O-N 3.09Å
3N40Very low48.5Very low143 Ų143123.2 Ų123.277%0.76565%0.648SS**  trans-32.9104.9-179.6-88-21.8000114.3T5N3-T5 PolarHBondContact O-N 3.17Å
4S43.6Very low51.2Low94 Ų94115.5 Ų115.566%0.65761%0.608SS**THydrogen-bonded Turntrans-81.722.3169.4660000112.8T2 K6 P7T2-S4 PolarHBondContact O-N 3.33Å; T2-S4 VanDerWaalsContact O-N 3.09Å; S4-K6 VanDerWaalsContact C-N 3.31Å; S4-K6 PolarHBondContact O-N 3.35Å; S4-P7 WeakPolarHBondContact O-CD 3.4Å
5T38.1Very low53.5Low78 Ų78113.1 Ų113.148%0.47959%0.592SS.*Hα-helixtrans-76.3-16179.36.70000113.4N3N3-T5 PolarHBondContact O-N 3.17Å
6K36.6Very low55.6Low171 Ų171116.4 Ų116.474%0.74359%0.594SS**Hα-helixtrans-65.5-43.7-178.2-82.4-174.9175.8-178.80115.3S4 K10S4-K6 VanDerWaalsContact C-N 3.31Å; S4-K6 PolarHBondContact O-N 3.35Å; K6-K10 PolarHBondContact O-N 3.41Å
7P43Very low57.5Low83 Ų83113.2 Ų113.254%0.53958%0.582SS.*Hα-helixtrans-65.2-37.7178.6-18.831.8000112.6S4 V9 K10 H11S4-P7 WeakPolarHBondContact O-CD 3.4Å; P7-V9 PolarHBondContact O-N 2.88Å; P7-K10 PolarHBondContact O-N 3.47Å; P7-H11 PolarHBondContact O-N 3.36Å; P7-H11 VanDerWaalsContact O-N 3.14Å
8I41.3Very low59.3Low93 Ų93110.3 Ų110.348%0.47757%0.565SS.*Hα-helixtrans-64.2-44.8-175.3-60.3172.6000111H11 K12I8-H11 PolarHBondContact O-N 3Å; I8-K12 HydrophobicContact CG2-CD 4.36Å; I8-K12 WeakPolarHBondContact O-CG 3.1Å; I8-K12 PolarHBondContact O-N 3.48Å
9V47.6Very low61Low102 Ų102108.1 Ų108.162%0.61856%0.557SS**Hα-helixtrans-66.4-41179.8-179.80000111.2P7 H11 K12 L13P7-V9 PolarHBondContact O-N 2.88Å; V9-H11 VanDerWaalsContact C-N 3.31Å; V9-H11 PolarHBondContact O-N 2.93Å; V9-K12 PolarHBondContact O-N 3.2Å; V9-L13 PolarHBondContact O-N 3.04Å
10K55.8Low62.5Low120 Ų120106.6 Ų106.652%0.52255%0.55SS.*Hα-helixtrans-60.9-39.3178.5-76-168.2176-163.90112.7K6 P7 Y62K6-K10 PolarHBondContact O-N 3.41Å; P7-K10 PolarHBondContact O-N 3.47Å; K10-Y62 HydrophobicContact CB-CE2 3.96Å; K10-Y62 HydrophobicContact CD-CE2 4.36Å; K10-Y62 HydrophobicContact CG-CE2 4.46Å; K10-Y62 PolarHBondContact O-OH 3.13Å
11H61.5Low63.9Low97 Ų97104.6 Ų104.645%0.44954%0.54SS..Hα-helixtrans-73.1-38.4-179.5-164.239.3000112.1P7 I8 V9 L13 L14 Q15P7-H11 PolarHBondContact O-N 3.36Å; P7-H11 VanDerWaalsContact O-N 3.14Å; I8-H11 PolarHBondContact O-N 3Å; V9-H11 VanDerWaalsContact C-N 3.31Å; V9-H11 PolarHBondContact O-N 2.93Å; H11-L13 VanDerWaalsContact C-N 3.29Å; H11-L13 PolarHBondContact O-N 3.01Å; H11-L14 PolarHBondContact O-N 2.98Å; H11-Q15 PolarHBondContact CD2-NE2 3.48Å; H11-Q15 PolarHBondContact NE2-NE2 2.83Å; H11-Q15 VanDerWaalsContact O-CG 3.32Å; H11-Q15 WeakPolarHBondContact O-CG 3.27Å; H11-Q15 PolarHBondContact O-N 3.49Å; H11-Q15 VanDerWaalsContact O-N 3.13Å
12K73.2Confident66.7Low135 Ų13595.4 Ų95.459%0.58749%0.494SS*.Hα-helixtrans-61.4-32179.2-77.8-176.5177.2-169.50114.2I8 V9 R16I8-K12 HydrophobicContact CG2-CD 4.36Å; I8-K12 WeakPolarHBondContact O-CG 3.1Å; I8-K12 PolarHBondContact O-N 3.48Å; V9-K12 PolarHBondContact O-N 3.2Å; K12-R16 PolarHBondContact O-N 2.79Å; K12-R16 VanDerWaalsContact O-N 3.1Å
13L77.7Confident69.3Low99 Ų9994 Ų9452%0.51848%0.478SS..Hα-helixtrans-65.8-52.1179.7-178.164.5000111.2V9 H11 Q15 R16 T17V9-L13 PolarHBondContact O-N 3.04Å; H11-L13 VanDerWaalsContact C-N 3.29Å; H11-L13 PolarHBondContact O-N 3.01Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 3.34Å; L13-R16 WeakPolarHBondContact O-CB 3.39Å; L13-R16 PolarHBondContact O-N 3.4Å; L13-R16 VanDerWaalsContact O-N 3.1Å; L13-T17 PolarHBondContact O-N 2.94Å; L13-T17 PolarHBondContact O-OG1 3.33Å
14L85.9Confident71.8Confident16 Ų1689.8 Ų89.88%0.08446%0.46CS..Hα-helixtrans-65.8-35.7-179.8-64.2175000111.8H11 R16 T17 E18 L60 Y62 I88H11-L14 PolarHBondContact O-N 2.98Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.27Å; L14-T17 WeakPolarHBondContact O-CB 3.45Å; L14-T17 PolarHBondContact O-N 3.42Å; L14-E18 WeakPolarHBondContact O-CB 3.43Å; L14-E18 PolarHBondContact O-N 2.99Å; L14-L60 HydrophobicContact CD2-CB 4.35Å; L14-Y62 HydrophobicContact CD1-CD2 3.96Å; L14-Y62 HydrophobicContact CD1-CE2 3.7Å; L14-Y62 HydrophobicContact CG-CE2 4.42Å; L14-I88 HydrophobicContact CD2-CD1 3.67Å
15Q85.7Confident74.3Confident79 Ų7986.3 Ų86.337%0.36944%0.435SS..Hα-helixtrans-61.2-35.6172.2-74.6177.5-23.700112.8H11 L13 E18 V19H11-Q15 PolarHBondContact CD2-NE2 3.48Å; H11-Q15 PolarHBondContact NE2-NE2 2.83Å; H11-Q15 VanDerWaalsContact O-CG 3.32Å; H11-Q15 WeakPolarHBondContact O-CG 3.27Å; H11-Q15 PolarHBondContact O-N 3.49Å; H11-Q15 VanDerWaalsContact O-N 3.13Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 3.34Å; Q15-E18 WeakPolarHBondContact O-CB 3.4Å; Q15-E18 PolarHBondContact O-N 3.44Å; Q15-V19 WeakPolarHBondContact O-CG2 3.34Å; Q15-V19 PolarHBondContact O-N 2.99Å; Q15-V19 VanDerWaalsContact O-N 3.08Å
16R86.9Confident76.9Confident166 Ų16689.2 Ų89.263%0.62644%0.443SS*.Hα-helixtrans-68.7-40176.2-173.8175.5175.5-167.9-7.3111.2K12 L13 L14 D20K12-R16 PolarHBondContact O-N 2.79Å; K12-R16 VanDerWaalsContact O-N 3.1Å; L13-R16 WeakPolarHBondContact O-CB 3.39Å; L13-R16 PolarHBondContact O-N 3.4Å; L13-R16 VanDerWaalsContact O-N 3.1Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.27Å; R16-D20 WeakPolarHBondContact O-CB 3.42Å; R16-D20 PolarHBondContact O-N 3.46Å
17T88.3Confident79.7Confident62 Ų6284.9 Ų84.938%0.3844%0.439SS..Hα-helixtrans-64.4-40.4174.4-55.50000111.8L13 L14 D20 L21 L60L13-T17 PolarHBondContact O-N 2.94Å; L13-T17 PolarHBondContact O-OG1 3.33Å; L14-T17 WeakPolarHBondContact O-CB 3.45Å; L14-T17 PolarHBondContact O-N 3.42Å; T17-D20 PolarHBondContact O-N 2.92Å; T17-L21 VanDerWaalsContact O-CB 3.27Å; T17-L21 WeakPolarHBondContact O-CB 3.39Å; T17-L21 PolarHBondContact O-N 3.42Å; T17-L60 HydrophobicContact CG2-CD1 4.1Å; T17-L60 HydrophobicContact CG2-CD2 4.1Å
18E90.2Very high82.1Confident61 Ų6186.3 Ų86.329%0.28544%0.442SS..Hα-helixtrans-57.3-52.8174.5177.2-169.9142.400111.4L14 Q15 D20 L21 E22 V35 L60L14-E18 WeakPolarHBondContact O-CB 3.43Å; L14-E18 PolarHBondContact O-N 2.99Å; Q15-E18 WeakPolarHBondContact O-CB 3.4Å; Q15-E18 PolarHBondContact O-N 3.44Å; E18-D20 PolarHBondContact O-N 3.39Å; E18-L21 PolarHBondContact O-N 2.96Å; E18-E22 PolarHBondContact O-N 3.28Å; E18-V35 HydrophobicContact CG-CG1 4.04Å; E18-V35 WeakPolarHBondContact OE1-CG1 3.25Å; E18-L60 HydrophobicContact CB-CD1 3.93Å
19V91.6Very high84.6Confident68 Ų6889.5 Ų89.541%0.41246%0.46SS..Hα-helixtrans-63.3-40.5179.1173.10000112.2Q15 L21 E22 Q23Q15-V19 WeakPolarHBondContact O-CG2 3.34Å; Q15-V19 PolarHBondContact O-N 2.99Å; Q15-V19 VanDerWaalsContact O-N 3.08Å; V19-L21 VanDerWaalsContact C-N 3.34Å; V19-E22 PolarHBondContact O-N 2.94Å; V19-Q23 VanDerWaalsContact O-CG 3.32Å; V19-Q23 WeakPolarHBondContact O-CG 3.08Å; V19-Q23 PolarHBondContact O-N 3.48Å; V19-Q23 VanDerWaalsContact O-N 3.07Å
20D90.5Very high86.8Confident78 Ų7889.4 Ų89.442%0.41746%0.455SS..Hα-helixtrans-66.3-37.8178.1-170.379.6000111.7R16 T17 E18 S24R16-D20 WeakPolarHBondContact O-CB 3.42Å; R16-D20 PolarHBondContact O-N 3.46Å; T17-D20 PolarHBondContact O-N 2.92Å; E18-D20 PolarHBondContact O-N 3.39Å; D20-S24 WeakPolarHBondContact O-CB 3.41Å; D20-S24 PolarHBondContact O-N 3.47Å; D20-S24 PolarHBondContact O-OG 3.34Å
21L92.3Very high88.5Confident65 Ų6591.6 Ų91.634%0.3447%0.468SS..Hα-helixtrans-66.7-44174.817962.5000111.7T17 E18 V19 S24 C25 V58T17-L21 VanDerWaalsContact O-CB 3.27Å; T17-L21 WeakPolarHBondContact O-CB 3.39Å; T17-L21 PolarHBondContact O-N 3.42Å; E18-L21 PolarHBondContact O-N 2.96Å; V19-L21 VanDerWaalsContact C-N 3.34Å; L21-S24 PolarHBondContact O-N 3.38Å; L21-C25 WeakPolarHBondContact O-CB 3.43Å; L21-C25 PolarHBondContact O-N 3.47Å; L21-C25 PolarHBondContact O-SG 2.91Å; L21-V58 HydrophobicContact CD2-CB 4.06Å; L21-V58 HydrophobicContact CD2-CG1 3.77Å; L21-V58 HydrophobicContact CD2-CG2 4.1Å
22E92.6Very high89.9Confident52 Ų5290 Ų9024%0.24347%0.465CS..Hα-helixtrans-58.2-49175.5-77.8173.7-154.500111.7E18 V19 S24 C25 E26 V32 V35E18-E22 PolarHBondContact O-N 3.28Å; V19-E22 PolarHBondContact O-N 2.94Å; E22-S24 VanDerWaalsContact C-N 3.29Å; E22-S24 PolarHBondContact O-N 3.47Å; E22-C25 WeakPolarHBondContact O-CB 3.45Å; E22-C25 PolarHBondContact O-N 3Å; E22-E26 WeakPolarHBondContact O-CG 3.43Å; E22-E26 PolarHBondContact O-N 2.87Å; E22-V32 HydrophobicContact CG-CG1 4.44Å; E22-V32 HydrophobicContact CG-CG2 4.3Å; E22-V35 WeakPolarHBondContact OE1-CG2 3.38Å
23Q93.5Very high90.7Very high113 Ų11388.1 Ų88.153%0.52846%0.46SS..Hα-helixtrans-60.6-40.2177.1-71.7176.12.800112.1V19 E26 A27V19-Q23 VanDerWaalsContact O-CG 3.32Å; V19-Q23 WeakPolarHBondContact O-CG 3.08Å; V19-Q23 PolarHBondContact O-N 3.48Å; V19-Q23 VanDerWaalsContact O-N 3.07Å; Q23-E26 PolarHBondContact O-N 3.28Å; Q23-A27 WeakPolarHBondContact O-CB 3.46Å; Q23-A27 PolarHBondContact O-N 3.43Å
24S92.4Very high91.2Very high54 Ų5485 Ų8538%0.37845%0.446SS..Hα-helixtrans-67.3-39.7177.4-61.40000111.9D20 L21 E22 N28D20-S24 WeakPolarHBondContact O-CB 3.41Å; D20-S24 PolarHBondContact O-N 3.47Å; D20-S24 PolarHBondContact O-OG 3.34Å; L21-S24 PolarHBondContact O-N 3.38Å; E22-S24 VanDerWaalsContact C-N 3.29Å; E22-S24 PolarHBondContact O-N 3.47Å; S24-N28 PolarHBondContact O-N 3.35Å; S24-N28 PolarHBondContact O-ND2 3.09Å
25C94.6Very high91.4Very high21 Ų2187.2 Ų87.214%0.14246%0.46CS..Hα-helixtrans-62.8-48.6174.3-760000111.2L21 E22 A27 N28 N29 I30 V32L21-C25 WeakPolarHBondContact O-CB 3.43Å; L21-C25 PolarHBondContact O-N 3.47Å; L21-C25 PolarHBondContact O-SG 2.91Å; E22-C25 WeakPolarHBondContact O-CB 3.45Å; E22-C25 PolarHBondContact O-N 3Å; C25-A27 VanDerWaalsContact C-N 3.34Å; C25-A27 PolarHBondContact O-N 3.22Å; C25-N28 CarbonylContact O-C 3.56Å; C25-N28 PolarHBondContact O-N 3.27Å; C25-N29 PolarHBondContact O-N 3.19Å; C25-I30 CarbonylContact C-O 3.56Å; C25-I30 HydrophobicContact CB-CB 3.93Å; C25-I30 HydrophobicContact CB-CG2 4.18Å; C25-I30 PolarHBondContact O-N 3.43Å; C25-V32 HydrophobicContact CB-CG2 3.82Å
26E93.3Very high91.6Very high139 Ų13986.8 Ų86.865%0.6546%0.458SS*.Hα-helixtrans-59.1-44.1177.7-73.4-178.8174.400112E22 Q23 N28 N29E22-E26 WeakPolarHBondContact O-CG 3.43Å; E22-E26 PolarHBondContact O-N 2.87Å; Q23-E26 PolarHBondContact O-N 3.28Å; E26-N28 PolarHBondContact O-N 3.2Å; E26-N29 PolarHBondContact O-N 2.92Å; E26-N29 VanDerWaalsContact O-N 3.16Å
27A95Very high91.7Very high80 Ų8083.3 Ų83.366%0.66146%0.46SS*.Hα-helixtrans-61.7-24.1176.700000113.3Q23 C25Q23-A27 WeakPolarHBondContact O-CB 3.46Å; Q23-A27 PolarHBondContact O-N 3.43Å; C25-A27 VanDerWaalsContact C-N 3.34Å; C25-A27 PolarHBondContact O-N 3.22Å
28N94Very high91.7Very high112 Ų11283.1 Ų83.160%0.59945%0.453SS*.THydrogen-bonded Turntrans-104.916.1179.8-72.9-79.1000113.4S24 C25 E26 I30S24-N28 PolarHBondContact O-N 3.35Å; S24-N28 PolarHBondContact O-ND2 3.09Å; C25-N28 CarbonylContact O-C 3.56Å; C25-N28 PolarHBondContact O-N 3.27Å; E26-N28 PolarHBondContact O-N 3.2Å; N28-I30 HydrophobicContact CB-CD1 4.31Å; N28-I30 HydrophobicContact CB-CG1 4.38Å; N28-I30 PolarHBondContact O-N 2.98Å
29N94.1Very high91.5Very high161 Ų16190 Ų9086%0.86148%0.483SS*.THydrogen-bonded Turntrans58.129.8-177.8-54.3-65.9000114.2C25 E26C25-N29 PolarHBondContact O-N 3.19Å; E26-N29 PolarHBondContact O-N 2.92Å; E26-N29 VanDerWaalsContact O-N 3.16Å
30I93.6Very high91.2Very high100 Ų10088.6 Ų88.651%0.51348%0.482SS..  trans-97.4118.5173.6-59173.5000108C25 N28C25-I30 CarbonylContact C-O 3.56Å; C25-I30 HydrophobicContact CB-CB 3.93Å; C25-I30 HydrophobicContact CB-CG2 4.18Å; C25-I30 PolarHBondContact O-N 3.43Å; N28-I30 HydrophobicContact CB-CD1 4.31Å; N28-I30 HydrophobicContact CB-CG1 4.38Å; N28-I30 PolarHBondContact O-N 2.98Å
31Q90.7Very high91.3Very high166 Ų16689 Ų8978%0.77648%0.484SS*.  trans-82120.5-179.7-174.31808.700111.5I33Q31-I33 HydrophobicContact CG-CG2 4.49Å; Q31-I33 PolarHBondContact O-N 3.02Å
32V91.9Very high91.3Very high64 Ų6486.1 Ų86.139%0.38847%0.47SS..  trans-83.6105.7169-176.50000108.9E22 C25 V35E22-V32 HydrophobicContact CG-CG1 4.44Å; E22-V32 HydrophobicContact CG-CG2 4.3Å; C25-V32 HydrophobicContact CB-CG2 3.82Å; V32-V35 HydrophobicContact CG1-CG2 3.95Å
33I89.3Confident91.4Very high94 Ų9483.9 Ų83.948%0.48246%0.46SS..  trans-74.6-27.6-17659.6170000113.4Q31 A54Q31-I33 HydrophobicContact CG-CG2 4.49Å; Q31-I33 PolarHBondContact O-N 3.02Å; I33-A54 HydrophobicContact CD1-CB 3.8Å
34S87.9Confident91.5Very high33 Ų3381.9 Ų81.923%0.23146%0.456CS..  trans-166.4146.6178.6-172.90000112Q36 Q52S34-Q36 PolarHBondContact OG-NE2 3.09Å; S34-Q52 VanDerWaalsContact CB-CD 3.42Å; S34-Q52 PolarHBondContact OG-NE2 2.96Å; S34-Q52 VanDerWaalsContact OG-NE2 3.09Å; S34-Q52 PolarHBondContact OG-OE1 3.41Å
35V90.6Very high91.6Very high64 Ų6479.7 Ų79.739%0.38844%0.442SS..  trans-115.3129.9171.5-174.30000107E18 E22 V32E18-V35 HydrophobicContact CG-CG1 4.04Å; E18-V35 WeakPolarHBondContact OE1-CG1 3.25Å; E22-V35 WeakPolarHBondContact OE1-CG2 3.38Å; V32-V35 HydrophobicContact CG1-CG2 3.95Å
36Q89.4Confident91.6Very high69 Ų6978.9 Ų78.932%0.32244%0.436SS..  trans-126.4121.9-175.8-65.9-65.2-30.300109.3S34 A45 S48 L49S34-Q36 PolarHBondContact OG-NE2 3.09Å; Q36-A45 HydrophobicContact CB-CB 4.08Å; Q36-S48 PolarHBondContact NE2-OG 3.43Å; Q36-L49 HydrophobicContact CB-CD2 4.47Å; Q36-L49 HydrophobicContact CG-CD2 3.77Å; Q36-L49 HydrophobicContact CG-CG 4.11Å
37S89.5Confident91.7Very high94 Ų9476.9 Ų76.966%0.65742%0.423SS*.  trans-113.1152.6172.1590000109.9
38F88.3Confident91.6Very high57 Ų5774.5 Ų74.525%0.2540%0.401CS..  trans-145.2156.2175.769-85.4000110.6P42 A45 E65 V69F38-P42 HydrophobicContact CD1-CB 4.14Å; F38-P42 HydrophobicContact CD2-CB 3.79Å; F38-P42 HydrophobicContact CE1-CB 4.13Å; F38-P42 HydrophobicContact CE2-CB 3.78Å; F38-P42 HydrophobicContact CE2-CG 4.33Å; F38-P42 HydrophobicContact CG-CB 3.98Å; F38-P42 HydrophobicContact CZ-CB 3.95Å; F38-A45 HydrophobicContact CB-CB 4.17Å; F38-A45 HydrophobicContact CD1-CB 4.49Å; F38-E65 HydrophobicContact CE2-CB 4.31Å; F38-E65 HydrophobicContact CZ-CB 4.06Å; F38-V69 HydrophobicContact CE1-CG2 3.57Å; F38-V69 HydrophobicContact CE2-CG2 4.34Å; F38-V69 HydrophobicContact CZ-CG2 3.36Å
39F85.6Confident91.6Very high206 Ų20670.1 Ų70.190%0.90438%0.378SS*.SBendtrans-127.6113.1171.6-172.7-97.2000109.1D41F39-D41 PolarHBondContact O-N 3.48Å; F39-D41 VanDerWaalsContact O-N 3.07Å
40G86.5Confident91.5Very high38 Ų3866.8 Ų66.839%0.39236%0.356SS..SBendtrans83.3-66.7178.100000114.4K68G40-K68 PolarHBondContact O-NZ 3.24Å
41D91.1Very high91.4Very high88 Ų8872.2 Ų72.247%0.47137%0.37SS..  trans-102.8113.1-179.817920.3000111.5F39 A43F39-D41 PolarHBondContact O-N 3.48Å; F39-D41 VanDerWaalsContact O-N 3.07Å; D41-A43 VanDerWaalsContact C-N 3.32Å; D41-A43 WeakPolarHBondContact OD1-CB 3.3Å; D41-A43 PolarHBondContact OD1-N 3.41Å
42P94.2Very high91.4Very high4 Ų468 Ų683%0.02635%0.35CS..  trans-79.7-9.6177.831.1-33.3000114F38 A45 V46 K68 V69 E72F38-P42 HydrophobicContact CD1-CB 4.14Å; F38-P42 HydrophobicContact CD2-CB 3.79Å; F38-P42 HydrophobicContact CE1-CB 4.13Å; F38-P42 HydrophobicContact CE2-CB 3.78Å; F38-P42 HydrophobicContact CE2-CG 4.33Å; F38-P42 HydrophobicContact CG-CB 3.98Å; F38-P42 HydrophobicContact CZ-CB 3.95Å; P42-A45 WeakPolarHBondContact O-CB 3.5Å; P42-A45 PolarHBondContact O-N 3.48Å; P42-A45 VanDerWaalsContact O-N 3.1Å; P42-V46 HydrophobicContact CB-CG2 4.32Å; P42-V46 WeakPolarHBondContact O-CG2 3.15Å; P42-V46 PolarHBondContact O-N 3.35Å; P42-K68 HydrophobicContact CG-CB 3.87Å; P42-V69 HydrophobicContact CB-CG2 3.81Å; P42-V69 HydrophobicContact CG-CG2 4.28Å; P42-E72 HydrophobicContact CG-CG 4.12Å
43A94.4Very high91.3Very high5 Ų567.8 Ų67.84%0.04135%0.347CS..Hα-helixtrans-59-39.8-170.100000114.5D41 R47 E72D41-A43 VanDerWaalsContact C-N 3.32Å; D41-A43 WeakPolarHBondContact OD1-CB 3.3Å; D41-A43 PolarHBondContact OD1-N 3.41Å; A43-R47 VanDerWaalsContact CB-NH1 3.34Å; A43-R47 WeakPolarHBondContact O-CB 3.49Å; A43-R47 VanDerWaalsContact O-CG 3.32Å; A43-R47 WeakPolarHBondContact O-CG 3.33Å; A43-R47 PolarHBondContact O-N 3.29Å; A43-R47 PolarHBondContact O-NE 2.9Å; A43-E72 HydrophobicContact CB-CG 3.93Å
44P95Very high91.4Very high70 Ų7063.6 Ų63.646%0.45533%0.326SS..Hα-helixtrans-63.3-42.6174.4-21.834000113R47 S48P44-R47 PolarHBondContact O-N 2.94Å; P44-S48 PolarHBondContact O-N 3.07Å
45A94Very high91.5Very high9 Ų963.5 Ų63.57%0.07432%0.32CS..Hα-helixtrans-63.9-47.3179.100000111.2Q36 F38 P42 R47 S48 L49Q36-A45 HydrophobicContact CB-CB 4.08Å; F38-A45 HydrophobicContact CB-CB 4.17Å; F38-A45 HydrophobicContact CD1-CB 4.49Å; P42-A45 WeakPolarHBondContact O-CB 3.5Å; P42-A45 PolarHBondContact O-N 3.48Å; P42-A45 VanDerWaalsContact O-N 3.1Å; A45-R47 VanDerWaalsContact C-N 3.35Å; A45-R47 PolarHBondContact O-N 2.93Å; A45-S48 VanDerWaalsContact O-CB 3.28Å; A45-S48 WeakPolarHBondContact O-CB 3.35Å; A45-S48 PolarHBondContact O-N 3.33Å; A45-S48 VanDerWaalsContact O-N 3.08Å; A45-L49 PolarHBondContact O-N 3.34Å; A45-L49 VanDerWaalsContact O-N 3.07Å
46V95.2Very high91.7Very high4 Ų465.5 Ų65.52%0.02433%0.328CS..Hα-helixtrans-63.4-39.5177.91790000111.5P42 S48 L49 K50 V69 E72 V73 Q76 L78P42-V46 HydrophobicContact CB-CG2 4.32Å; P42-V46 WeakPolarHBondContact O-CG2 3.15Å; P42-V46 PolarHBondContact O-N 3.35Å; V46-S48 VanDerWaalsContact C-N 3.3Å; V46-S48 PolarHBondContact O-N 2.84Å; V46-L49 PolarHBondContact O-N 3.48Å; V46-K50 PolarHBondContact O-N 3.23Å; V46-V69 HydrophobicContact CG2-CG1 4.19Å; V46-E72 HydrophobicContact CB-CB 4.22Å; V46-E72 HydrophobicContact CG1-CB 4.19Å; V46-E72 HydrophobicContact CG2-CB 4.02Å; V46-V73 HydrophobicContact CG1-CG2 4.4Å; V46-Q76 HydrophobicContact CG1-CB 4.2Å; V46-Q76 HydrophobicContact CG1-CG 3.94Å; V46-L78 HydrophobicContact CG1-CD1 3.6Å
47R95.1Very high92Very high96 Ų9662.7 Ų62.736%0.36232%0.315SS..Hα-helixtrans-65.4-33.1173.5-76.1-173.7-65.3-95.41.8112.6A43 P44 A45 K50 R51 Q76A43-R47 VanDerWaalsContact CB-NH1 3.34Å; A43-R47 WeakPolarHBondContact O-CB 3.49Å; A43-R47 VanDerWaalsContact O-CG 3.32Å; A43-R47 WeakPolarHBondContact O-CG 3.33Å; A43-R47 PolarHBondContact O-N 3.29Å; A43-R47 PolarHBondContact O-NE 2.9Å; P44-R47 PolarHBondContact O-N 2.94Å; A45-R47 VanDerWaalsContact C-N 3.35Å; A45-R47 PolarHBondContact O-N 2.93Å; R47-K50 PolarHBondContact O-N 3.24Å; R47-R51 WeakPolarHBondContact O-CG 3.49Å; R47-R51 PolarHBondContact O-N 2.79Å; R47-R51 VanDerWaalsContact O-N 3.12Å; R47-Q76 HydrophobicContact CG-CG 4.45Å
48S93.9Very high92.3Very high30 Ų3061.7 Ų61.721%0.2131%0.305CS..Hα-helixtrans-64.5-47.5175.6-1670000111.2Q36 P44 A45 V46 K50 R51 Q52Q36-S48 PolarHBondContact NE2-OG 3.43Å; P44-S48 PolarHBondContact O-N 3.07Å; A45-S48 VanDerWaalsContact O-CB 3.28Å; A45-S48 WeakPolarHBondContact O-CB 3.35Å; A45-S48 PolarHBondContact O-N 3.33Å; A45-S48 VanDerWaalsContact O-N 3.08Å; V46-S48 VanDerWaalsContact C-N 3.3Å; V46-S48 PolarHBondContact O-N 2.84Å; S48-K50 PolarHBondContact O-N 3.24Å; S48-R51 WeakPolarHBondContact O-CB 3.01Å; S48-R51 PolarHBondContact O-N 3.48Å; S48-Q52 PolarHBondContact O-N 2.98Å
49L93.1Very high92.6Very high20 Ų2059.1 Ų59.111%0.10529%0.294CS..Hα-helixtrans-53.7-43.1175.4-65.8174.7000111.9Q36 A45 V46 Q52 D53 A54 I57 L78 W85Q36-L49 HydrophobicContact CB-CD2 4.47Å; Q36-L49 HydrophobicContact CG-CD2 3.77Å; Q36-L49 HydrophobicContact CG-CG 4.11Å; A45-L49 PolarHBondContact O-N 3.34Å; A45-L49 VanDerWaalsContact O-N 3.07Å; V46-L49 PolarHBondContact O-N 3.48Å; L49-Q52 PolarHBondContact O-N 2.93Å; L49-D53 PolarHBondContact O-N 3.03Å; L49-A54 HydrophobicContact CB-CB 4.32Å; L49-A54 HydrophobicContact CD2-CB 4.2Å; L49-A54 PolarHBondContact O-N 3.47Å; L49-A54 VanDerWaalsContact O-N 3.09Å; L49-I57 HydrophobicContact CD1-CG2 4.04Å; L49-L78 HydrophobicContact CB-CD1 4.45Å; L49-W85 HydrophobicContact CD1-CH2 4.2Å
50K91.5Very high92.9Very high92 Ų9251.4 Ų51.440%0.426%0.262SS..Hα-helixtrans-63.9-39.8176.3-173.1168.7178.8170.30113.1V46 R47 S48 D53 Q76 L78V46-K50 PolarHBondContact O-N 3.23Å; R47-K50 PolarHBondContact O-N 3.24Å; S48-K50 PolarHBondContact O-N 3.24Å; K50-D53 PolarHBondContact O-N 3.49Å; K50-Q76 HydrophobicContact CD-CB 4.32Å; K50-Q76 PolarHBondContact NZ-O 3.43Å; K50-L78 HydrophobicContact CB-CD1 4.28Å; K50-L78 HydrophobicContact CB-CD2 3.97Å; K50-L78 HydrophobicContact CD-CD2 4.27Å; K50-L78 HydrophobicContact CG-CD2 4.06Å
51R92.8Very high93.2Very high213 Ų21350.3 Ų50.380%0.80425%0.247SC*.Hα-helixtrans-70.6-33.7-179.9-74.9174.2177.7-178-1.1112.5R47 S48 D53R47-R51 WeakPolarHBondContact O-CG 3.49Å; R47-R51 PolarHBondContact O-N 2.79Å; R47-R51 VanDerWaalsContact O-N 3.12Å; S48-R51 WeakPolarHBondContact O-CB 3.01Å; S48-R51 PolarHBondContact O-N 3.48Å; R51-D53 PolarHBondContact O-N 3.41Å
52Q90.6Very high93.2Very high78 Ų7849.4 Ų49.436%0.36424%0.237SC..THydrogen-bonded Turntrans-83.61.4177.7-67.3167.9-30.400113S34 S48 L49 A54S34-Q52 VanDerWaalsContact CB-CD 3.42Å; S34-Q52 PolarHBondContact OG-NE2 2.96Å; S34-Q52 VanDerWaalsContact OG-NE2 3.09Å; S34-Q52 PolarHBondContact OG-OE1 3.41Å; S48-Q52 PolarHBondContact O-N 2.98Å; L49-Q52 PolarHBondContact O-N 2.93Å; Q52-A54 VanDerWaalsContact C-N 3.29Å; Q52-A54 PolarHBondContact O-N 3.48Å
53D89.2Confident93Very high60 Ų6052.7 Ų52.732%0.32125%0.252SS..THydrogen-bonded Turntrans58.134.3-179-154.341000114.7L49 K50 R51 R55L49-D53 PolarHBondContact O-N 3.03Å; K50-D53 PolarHBondContact O-N 3.49Å; R51-D53 PolarHBondContact O-N 3.41Å; D53-R55 VanDerWaalsContact CG-CZ 3.4Å; D53-R55 PolarHBondContact O-N 2.88Å; D53-R55 IonicContact OD1-CZ 2.91Å; D53-R55 IonicContact OD1-NE 3.97Å; D53-R55 IonicContact OD1-NH1 3.18Å; D53-R55 PolarHBondContact OD1-NH1 2.91Å; D53-R55 IonicContact OD1-NH2 2.65Å; D53-R55 PolarHBondContact OD1-NH2 3.38Å; D53-R55 IonicContact OD2-CZ 3.31Å; D53-R55 VanDerWaalsContact OD2-CZ 3.31Å; D53-R55 IonicContact OD2-NE 3.47Å; D53-R55 PolarHBondContact OD2-NE 3.35Å; D53-R55 IonicContact OD2-NH2 2.72Å; D53-R55 PolarHBondContact OD2-NH2 3.47Å
54A90.9Very high92.9Very high5 Ų556.4 Ų56.44%0.04127%0.268CS..  trans-61.9127.217800000112.1I33 L49 Q52 I57 Y83I33-A54 HydrophobicContact CD1-CB 3.8Å; L49-A54 HydrophobicContact CB-CB 4.32Å; L49-A54 HydrophobicContact CD2-CB 4.2Å; L49-A54 PolarHBondContact O-N 3.47Å; L49-A54 VanDerWaalsContact O-N 3.09Å; Q52-A54 VanDerWaalsContact C-N 3.29Å; Q52-A54 PolarHBondContact O-N 3.48Å; A54-I57 HydrophobicContact CB-CG1 4.27Å; A54-Y83 WeakPolarHBondContact O-CD1 3.43Å; A54-Y83 WeakPolarHBondContact O-CE1 3.34Å
55R91.6Very high92.8Very high31 Ų3155.6 Ų55.612%0.11726%0.258CS..  trans-104.8-41.9-177.5-57-52.9-172-174.3-1113.9D53 R82 Y83 I84 D272D53-R55 VanDerWaalsContact CG-CZ 3.4Å; D53-R55 PolarHBondContact O-N 2.88Å; D53-R55 IonicContact OD1-CZ 2.91Å; D53-R55 IonicContact OD1-NE 3.97Å; D53-R55 IonicContact OD1-NH1 3.18Å; D53-R55 PolarHBondContact OD1-NH1 2.91Å; D53-R55 IonicContact OD1-NH2 2.65Å; D53-R55 PolarHBondContact OD1-NH2 3.38Å; D53-R55 IonicContact OD2-CZ 3.31Å; D53-R55 VanDerWaalsContact OD2-CZ 3.31Å; D53-R55 IonicContact OD2-NE 3.47Å; D53-R55 PolarHBondContact OD2-NE 3.35Å; D53-R55 IonicContact OD2-NH2 2.72Å; D53-R55 PolarHBondContact OD2-NH2 3.47Å; R55-R82 WeakPolarHBondContact CD-O 3.38Å; R55-Y83 PolarHBondContact NH1-OH 3.24Å; R55-Y83 WeakPolarHBondContact O-CA 3.46Å; R55-I84 PolarHBondContact O-N 3.14Å; R55-D272 WeakPolarHBondContact CG-O 3.45Å
56I93.9Very high92.8Very high106 Ų10655.2 Ų55.254%0.54425%0.254SS..EExtended strand (participates in β ladder)trans-106118.8175.2-58.8171000106.9F86I56-F86 HydrophobicContact CG2-CD2 3.97Å; I56-F86 HydrophobicContact CG2-CE2 3.84Å
57I95.1Very high92.9Very high11 Ų1155.6 Ų55.66%0.05626%0.255CS..EExtended strand (participates in β ladder)trans-121.2127.6-177.1-54.5100.7000109.9L49 A54 Y83 I84 W85 F86L49-I57 HydrophobicContact CD1-CG2 4.04Å; A54-I57 HydrophobicContact CB-CG1 4.27Å; I57-Y83 HydrophobicContact CD1-CD1 4.15Å; I57-I84 PolarHBondContact N-O 3.39Å; I57-W85 HydrophobicContact CB-CD2 3.98Å; I57-W85 HydrophobicContact CB-CE3 3.94Å; I57-W85 HydrophobicContact CB-CH2 4.14Å; I57-W85 HydrophobicContact CB-CZ2 4.14Å; I57-W85 HydrophobicContact CB-CZ3 4.04Å; I57-W85 HydrophobicContact CD1-CZ2 4.21Å; I57-W85 HydrophobicContact CG1-CZ2 4.29Å; I57-W85 HydrophobicContact CG2-CD2 4.23Å; I57-W85 HydrophobicContact CG2-CE3 3.71Å; I57-W85 HydrophobicContact CG2-CH2 3.51Å; I57-W85 HydrophobicContact CG2-CZ2 4.01Å; I57-W85 HydrophobicContact CG2-CZ3 3.34Å; I57-W85 CarbonylContact O-C 3.54Å; I57-W85 WeakPolarHBondContact O-CA 3.41Å; I57-F86 PolarHBondContact O-N 3.47Å
58V95.9Very high92.9Very high72 Ų7253 Ų5344%0.43625%0.246SC..EExtended strand (participates in β ladder)trans-101.6118.8172.4-173.80000109L21 L60 F86L21-V58 HydrophobicContact CD2-CB 4.06Å; L21-V58 HydrophobicContact CD2-CG1 3.77Å; L21-V58 HydrophobicContact CD2-CG2 4.1Å; V58-L60 HydrophobicContact CG1-CD2 4.25Å; V58-L60 HydrophobicContact CG1-CG 4.38Å; V58-F86 CarbonylContact C-O 3.58Å; V58-F86 WeakPolarHBondContact CA-O 3.47Å; V58-F86 HydrophobicContact CG1-CB 4.46Å; V58-F86 HydrophobicContact CG2-CB 4.21Å
59G94.7Very high93Very high3 Ų351.8 Ų51.83%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-100108.2-178.900000112.2F86G59-F86 PolarHBondContact N-O 3.24Å
60L93.4Very high93.1Very high44 Ų4450.8 Ų50.823%0.2323%0.233CC..  trans-106.887.9175.7-58.4178.3000109.8L14 T17 E18 V58 I88L14-L60 HydrophobicContact CD2-CB 4.35Å; T17-L60 HydrophobicContact CG2-CD1 4.1Å; T17-L60 HydrophobicContact CG2-CD2 4.1Å; E18-L60 HydrophobicContact CB-CD1 3.93Å; V58-L60 HydrophobicContact CG1-CD2 4.25Å; V58-L60 HydrophobicContact CG1-CG 4.38Å; L60-I88 HydrophobicContact CD2-CD1 3.92Å; L60-I88 HydrophobicContact CD2-CG1 3.92Å
61F91.5Very high93.4Very high15 Ų1546.6 Ų46.67%0.06622%0.215CC..  trans-143.2177.7178.632.5-104.9000110.7E65 A66 V69 F70 L87 Y91F61-E65 HydrophobicContact CB-CB 4.19Å; F61-A66 HydrophobicContact CD2-CB 3.32Å; F61-A66 HydrophobicContact CE2-CB 3.3Å; F61-A66 HydrophobicContact CZ-CB 4.49Å; F61-V69 HydrophobicContact CD1-CG2 4.1Å; F61-V69 HydrophobicContact CE1-CB 4.28Å; F61-V69 HydrophobicContact CE1-CG1 4.05Å; F61-V69 HydrophobicContact CE1-CG2 4.08Å; F61-V69 HydrophobicContact CZ-CB 4.37Å; F61-V69 HydrophobicContact CZ-CG1 4.26Å; F61-F70 HydrophobicContact CE2-CE2 4.31Å; F61-F70 HydrophobicContact CZ-CD2 4.37Å; F61-F70 AromaticContact CZ-CE2 3.93Å; F61-F70 HydrophobicContact CZ-CE2 3.93Å; F61-L87 HydrophobicContact CE1-CD2 4.44Å; F61-L87 HydrophobicContact CE2-CD2 3.78Å; F61-L87 HydrophobicContact CZ-CD2 3.47Å; F61-L87 VanDerWaalsContact CZ-CD2 3.47Å; F61-Y91 VanDerWaalsContact CD2-OH 3.29Å; F61-Y91 WeakPolarHBondContact CD2-OH 3.46Å; F61-Y91 PolarHBondContact O-OH 2.91Å
62Y91Very high93.5Very high69 Ų6937.6 Ų37.627%0.27118%0.182SC..  trans-95.9157.9168.9-70.8-84.3000109.7K10 L14 K64 E65 A66 W90K10-Y62 HydrophobicContact CB-CE2 3.96Å; K10-Y62 HydrophobicContact CD-CE2 4.36Å; K10-Y62 HydrophobicContact CG-CE2 4.46Å; K10-Y62 PolarHBondContact O-OH 3.13Å; L14-Y62 HydrophobicContact CD1-CD2 3.96Å; L14-Y62 HydrophobicContact CD1-CE2 3.7Å; L14-Y62 HydrophobicContact CG-CE2 4.42Å; Y62-K64 VanDerWaalsContact C-N 3.32Å; Y62-K64 PolarHBondContact O-N 2.94Å; Y62-K64 VanDerWaalsContact O-N 3.1Å; Y62-E65 CarbonylContact O-C 3.5Å; Y62-E65 WeakPolarHBondContact O-CA 3.38Å; Y62-E65 PolarHBondContact O-N 3.45Å; Y62-A66 PolarHBondContact O-N 2.91Å; Y62-W90 HydrophobicContact CD1-CH2 4.25Å; Y62-W90 HydrophobicContact CD1-CZ2 4.1Å; Y62-W90 AromaticContact CE1-CH2 3.7Å; Y62-W90 HydrophobicContact CE1-CH2 3.7Å; Y62-W90 AromaticContact CE1-CZ2 3.99Å; Y62-W90 HydrophobicContact CE1-CZ2 3.99Å
63E91.3Very high93.8Very high74 Ų7433.9 Ų33.935%0.34617%0.165SC..Hα-helixtrans-41-49.6-176.8-164.2-155.2129.300114.8E65 A66 R67 Y91 W95E63-E65 PolarHBondContact O-N 3.05Å; E63-A66 WeakPolarHBondContact O-CB 3.29Å; E63-A66 PolarHBondContact O-N 3.49Å; E63-R67 PolarHBondContact O-N 3.31Å; E63-R67 VanDerWaalsContact O-N 3.15Å; E63-R67 IonicContact OE1-CZ 3.57Å; E63-R67 IonicContact OE1-NH1 3.42Å; E63-R67 PolarHBondContact OE1-NH1 3.46Å; E63-R67 IonicContact OE1-NH2 2.69Å; E63-Y91 HydrophobicContact CB-CD1 4.09Å; E63-Y91 HydrophobicContact CB-CE1 4.1Å; E63-Y91 HydrophobicContact CG-CD1 4.38Å; E63-W95 HydrophobicContact CG-CB 4.03Å
64K91.9Very high94.2Very high83 Ų8332.9 Ų32.936%0.36116%0.157SC..Hα-helixtrans-62-43.3178.6179.5165-167162.40113.1Y62 A66 E101Y62-K64 VanDerWaalsContact C-N 3.32Å; Y62-K64 PolarHBondContact O-N 2.94Å; Y62-K64 VanDerWaalsContact O-N 3.1Å; K64-A66 VanDerWaalsContact C-N 3.34Å; K64-E101 PolarHBondContact NZ-O 3.49Å
65E92.3Very high94.4Very high53 Ų5337 Ų3725%0.24817%0.174CC..Hα-helixtrans-74.6-30.9178.8-58.8-52.9142.900110.6F38 F61 Y62 E63 R67 K68 V69F38-E65 HydrophobicContact CE2-CB 4.31Å; F38-E65 HydrophobicContact CZ-CB 4.06Å; F61-E65 HydrophobicContact CB-CB 4.19Å; Y62-E65 CarbonylContact O-C 3.5Å; Y62-E65 WeakPolarHBondContact O-CA 3.38Å; Y62-E65 PolarHBondContact O-N 3.45Å; E63-E65 PolarHBondContact O-N 3.05Å; E65-R67 VanDerWaalsContact C-N 3.34Å; E65-R67 PolarHBondContact O-N 3.25Å; E65-K68 VanDerWaalsContact CD-NZ 3.33Å; E65-K68 PolarHBondContact O-N 2.89Å; E65-K68 IonicContact OE1-NZ 3.49Å; E65-K68 PolarHBondContact OE1-NZ 3.35Å; E65-K68 WeakPolarHBondContact OE2-CD 3.24Å; E65-K68 IonicContact OE2-NZ 2.68Å; E65-K68 PolarHBondContact OE2-NZ 3.39Å; E65-V69 VanDerWaalsContact O-CG2 3.22Å; E65-V69 WeakPolarHBondContact O-CG2 3.47Å; E65-V69 PolarHBondContact O-N 2.86Å
66A94.7Very high94.6Very high0 Ų037.6 Ų37.60%018%0.178CC..Hα-helixtrans-53.7-49.2171.600000111.5F61 Y62 E63 K64 K68 V69 F70 Y91 W95F61-A66 HydrophobicContact CD2-CB 3.32Å; F61-A66 HydrophobicContact CE2-CB 3.3Å; F61-A66 HydrophobicContact CZ-CB 4.49Å; Y62-A66 PolarHBondContact O-N 2.91Å; E63-A66 WeakPolarHBondContact O-CB 3.29Å; E63-A66 PolarHBondContact O-N 3.49Å; K64-A66 VanDerWaalsContact C-N 3.34Å; A66-K68 VanDerWaalsContact C-N 3.33Å; A66-K68 PolarHBondContact O-N 3.28Å; A66-V69 PolarHBondContact O-N 3.48Å; A66-F70 WeakPolarHBondContact O-CD2 3.4Å; A66-F70 PolarHBondContact O-N 2.92Å; A66-Y91 HydrophobicContact CB-CE2 4.07Å; A66-W95 HydrophobicContact CB-CE3 3.81Å; A66-W95 HydrophobicContact CB-CH2 4.25Å; A66-W95 HydrophobicContact CB-CZ3 3.47Å; A66-W95 VanDerWaalsContact CB-CZ3 3.47Å
67R95.7Very high94.6Very high12 Ų1237.1 Ų37.15%0.04517%0.172CC..Hα-helixtrans-61.4-38.9178.9-74.8-170.8-69.7-88.63.8113E63 E65 C71 W95 V97 D102 I104 M111E63-R67 PolarHBondContact O-N 3.31Å; E63-R67 VanDerWaalsContact O-N 3.15Å; E63-R67 IonicContact OE1-CZ 3.57Å; E63-R67 IonicContact OE1-NH1 3.42Å; E63-R67 PolarHBondContact OE1-NH1 3.46Å; E63-R67 IonicContact OE1-NH2 2.69Å; E65-R67 VanDerWaalsContact C-N 3.34Å; E65-R67 PolarHBondContact O-N 3.25Å; R67-C71 WeakPolarHBondContact O-CB 3.29Å; R67-C71 PolarHBondContact O-N 3.5Å; R67-W95 WeakPolarHBondContact CD-O 3.27Å; R67-W95 HydrophobicContact CG-CE3 4.18Å; R67-W95 HydrophobicContact CG-CZ3 4.34Å; R67-W95 WeakPolarHBondContact CG-O 3.38Å; R67-W95 PolarHBondContact NH1-O 3.49Å; R67-V97 VanDerWaalsContact CD-O 3.31Å; R67-V97 WeakPolarHBondContact CD-O 3.33Å; R67-D102 WeakPolarHBondContact CD-OD2 3.37Å; R67-D102 IonicContact CZ-OD1 2.74Å; R67-D102 IonicContact CZ-OD2 3.57Å; R67-D102 VanDerWaalsContact NE-CG 3.28Å; R67-D102 IonicContact NE-OD1 3.74Å; R67-D102 PolarHBondContact NE-OD1 3.49Å; R67-D102 IonicContact NE-OD2 3.45Å; R67-D102 PolarHBondContact NE-OD2 3.01Å; R67-D102 IonicContact NH2-OD1 3.48Å; R67-D102 PolarHBondContact NH2-OD1 3.34Å; R67-D102 VanDerWaalsContact NH2-OD1 3.16Å; R67-D102 IonicContact NH2-OD2 3.66Å; R67-D102 PolarHBondContact NH2-OD2 3.37Å; R67-I104 HydrophobicContact CB-CD1 4.23Å; R67-M111 HydrophobicContact CB-CE 4.2Å; R67-M111 HydrophobicContact CG-CE 4.36Å; R67-M111 WeakPolarHBondContact O-CE 3.38Å
68K95.2Very high94.5Very high41 Ų4136.7 Ų36.718%0.17817%0.169CC..Hα-helixtrans-66.3-44.2174.8-62.5-179.6-167.61590111.8G40 P42 E65 A66 C71 E72 I104G40-K68 PolarHBondContact O-NZ 3.24Å; P42-K68 HydrophobicContact CG-CB 3.87Å; E65-K68 VanDerWaalsContact CD-NZ 3.33Å; E65-K68 PolarHBondContact O-N 2.89Å; E65-K68 IonicContact OE1-NZ 3.49Å; E65-K68 PolarHBondContact OE1-NZ 3.35Å; E65-K68 WeakPolarHBondContact OE2-CD 3.24Å; E65-K68 IonicContact OE2-NZ 2.68Å; E65-K68 PolarHBondContact OE2-NZ 3.39Å; A66-K68 VanDerWaalsContact C-N 3.33Å; A66-K68 PolarHBondContact O-N 3.28Å; K68-C71 PolarHBondContact O-N 3.28Å; K68-E72 PolarHBondContact O-N 3.46Å; K68-I104 HydrophobicContact CB-CG2 4.46Å; K68-I104 HydrophobicContact CG-CG2 3.87Å
69V95.9Very high94.3Very high5 Ų534.3 Ų34.33%0.0315%0.153CC..Hα-helixtrans-59.3-50.2177.1176.60000109.7F38 P42 V46 F61 E65 A66 C71 E72 V73 W85F38-V69 HydrophobicContact CE1-CG2 3.57Å; F38-V69 HydrophobicContact CE2-CG2 4.34Å; F38-V69 HydrophobicContact CZ-CG2 3.36Å; P42-V69 HydrophobicContact CB-CG2 3.81Å; P42-V69 HydrophobicContact CG-CG2 4.28Å; V46-V69 HydrophobicContact CG2-CG1 4.19Å; F61-V69 HydrophobicContact CD1-CG2 4.1Å; F61-V69 HydrophobicContact CE1-CB 4.28Å; F61-V69 HydrophobicContact CE1-CG1 4.05Å; F61-V69 HydrophobicContact CE1-CG2 4.08Å; F61-V69 HydrophobicContact CZ-CB 4.37Å; F61-V69 HydrophobicContact CZ-CG1 4.26Å; E65-V69 VanDerWaalsContact O-CG2 3.22Å; E65-V69 WeakPolarHBondContact O-CG2 3.47Å; E65-V69 PolarHBondContact O-N 2.86Å; A66-V69 PolarHBondContact O-N 3.48Å; V69-C71 VanDerWaalsContact C-N 3.31Å; V69-C71 PolarHBondContact O-N 2.67Å; V69-E72 CarbonylContact O-C 3.41Å; V69-E72 WeakPolarHBondContact O-CA 3.32Å; V69-E72 PolarHBondContact O-N 3.46Å; V69-V73 HydrophobicContact CG1-CG2 4.12Å; V69-V73 WeakPolarHBondContact O-CG2 3.4Å; V69-V73 PolarHBondContact O-N 3.42Å; V69-W85 HydrophobicContact CG1-CH2 4.18Å; V69-W85 HydrophobicContact CG1-CZ3 4.34Å
70F96.7Very high93.9Very high0 Ų036 Ų360%017%0.165CC..Hα-helixtrans-68.2-29.2-176.5-88.9-101.7000113.5F61 A66 E72 V73 Y74 W85 L87 W95 M111 A114 A115F61-F70 HydrophobicContact CE2-CE2 4.31Å; F61-F70 HydrophobicContact CZ-CD2 4.37Å; F61-F70 AromaticContact CZ-CE2 3.93Å; F61-F70 HydrophobicContact CZ-CE2 3.93Å; A66-F70 WeakPolarHBondContact O-CD2 3.4Å; A66-F70 PolarHBondContact O-N 2.92Å; F70-E72 VanDerWaalsContact C-N 3.35Å; F70-V73 WeakPolarHBondContact O-CB 3.44Å; F70-V73 PolarHBondContact O-N 2.91Å; F70-Y74 WeakPolarHBondContact O-CB 3.46Å; F70-Y74 PolarHBondContact O-N 3.3Å; F70-W85 HydrophobicContact CE2-CE3 4.34Å; F70-W85 HydrophobicContact CZ-CB 4.28Å; F70-W85 HydrophobicContact CZ-CD2 4.16Å; F70-W85 HydrophobicContact CZ-CE3 4.19Å; F70-W85 HydrophobicContact CZ-CG 4.19Å; F70-L87 HydrophobicContact CE2-CD1 3.64Å; F70-L87 HydrophobicContact CE2-CD2 3.88Å; F70-L87 HydrophobicContact CE2-CG 4.31Å; F70-L87 HydrophobicContact CZ-CD1 3.68Å; F70-L87 HydrophobicContact CZ-CD2 4.14Å; F70-L87 HydrophobicContact CZ-CG 4.26Å; F70-W95 HydrophobicContact CB-CH2 4.29Å; F70-W95 HydrophobicContact CD1-CH2 4.15Å; F70-W95 AromaticContact CD2-CH2 3.52Å; F70-W95 HydrophobicContact CD2-CH2 3.52Å; F70-W95 HydrophobicContact CD2-CZ3 4.17Å; F70-W95 HydrophobicContact CE1-CH2 4.39Å; F70-W95 AromaticContact CE2-CH2 3.76Å; F70-W95 HydrophobicContact CE2-CH2 3.76Å; F70-W95 HydrophobicContact CE2-CZ2 4.43Å; F70-W95 AromaticContact CG-CH2 3.71Å; F70-W95 HydrophobicContact CG-CH2 3.71Å; F70-W95 HydrophobicContact CG-CZ3 4.4Å; F70-W95 HydrophobicContact CZ-CH2 4.21Å; F70-M111 HydrophobicContact CB-CE 3.54Å; F70-M111 HydrophobicContact CB-SD 4.45Å; F70-A114 HydrophobicContact CD1-CB 4.27Å; F70-A114 WeakPolarHBondContact CE1-O 3.26Å; F70-A115 HydrophobicContact CD1-CB 4.23Å; F70-A115 HydrophobicContact CE1-CB 4.35Å
71C96.7Very high93.7Very high3 Ų342.5 Ų42.52%0.0219%0.186CC..Hα-helixtrans-64-40.3169-179.80000111.6R67 K68 V69 Y74 K75 I104 C106 M111R67-C71 WeakPolarHBondContact O-CB 3.29Å; R67-C71 PolarHBondContact O-N 3.5Å; K68-C71 PolarHBondContact O-N 3.28Å; V69-C71 VanDerWaalsContact C-N 3.31Å; V69-C71 PolarHBondContact O-N 2.67Å; C71-Y74 WeakPolarHBondContact O-CB 3.41Å; C71-Y74 PolarHBondContact O-N 3.23Å; C71-K75 WeakPolarHBondContact O-CG 3.49Å; C71-K75 PolarHBondContact O-N 3.06Å; C71-K75 VanDerWaalsContact O-N 3.12Å; C71-I104 HydrophobicContact CB-CB 4.48Å; C71-C106 WeakPolarHBondContact CA-SG 3.19Å; C71-C106 HydrophobicContact CB-CB 3.82Å; C71-C106 WeakPolarHBondContact CB-SG 3.25Å; C71-C106 PolarHBondContact O-SG 3.38Å; C71-C106 WeakPolarHBondContact SG-CB 3.49Å; C71-C106 CovalentContact SG-SG 2.04Å; C71-C106 PolarHBondContact SG-SG 2.96Å; C71-M111 VanDerWaalsContact CA-SD 3.56Å; C71-M111 HydrophobicContact CB-SD 3.68Å; C71-M111 PolarHBondContact N-SD 3.34Å; C71-M111 VanDerWaalsContact N-SD 3.43Å
72E95.9Very high93.6Very high25 Ų2548.6 Ų48.612%0.11721%0.209CC..Hα-helixtrans-71.6-35.4173.4-71.8-57.4131.200112.8P42 A43 V46 K68 V69 F70 Y74 K75 Q76P42-E72 HydrophobicContact CG-CG 4.12Å; A43-E72 HydrophobicContact CB-CG 3.93Å; V46-E72 HydrophobicContact CB-CB 4.22Å; V46-E72 HydrophobicContact CG1-CB 4.19Å; V46-E72 HydrophobicContact CG2-CB 4.02Å; K68-E72 PolarHBondContact O-N 3.46Å; V69-E72 CarbonylContact O-C 3.41Å; V69-E72 WeakPolarHBondContact O-CA 3.32Å; V69-E72 PolarHBondContact O-N 3.46Å; F70-E72 VanDerWaalsContact C-N 3.35Å; E72-Y74 VanDerWaalsContact C-N 3.27Å; E72-Y74 PolarHBondContact O-N 2.94Å; E72-K75 PolarHBondContact O-N 3.38Å; E72-K75 WeakPolarHBondContact OE1-CD 3.46Å; E72-K75 IonicContact OE1-NZ 2.57Å; E72-K75 PolarHBondContact OE1-NZ 3.08Å; E72-Q76 WeakPolarHBondContact O-CB 2.89Å; E72-Q76 VanDerWaalsContact O-CG 3.32Å; E72-Q76 WeakPolarHBondContact O-CG 3.44Å; E72-Q76 PolarHBondContact O-N 2.9Å
73V96.5Very high93.7Very high0 Ų046.7 Ų46.70%020%0.201CC..Hα-helixtrans-57.8-43.2171.1166.70000110.3V46 V69 F70 Q76 K77 L78 F79 W85 A114V46-V73 HydrophobicContact CG1-CG2 4.4Å; V69-V73 HydrophobicContact CG1-CG2 4.12Å; V69-V73 WeakPolarHBondContact O-CG2 3.4Å; V69-V73 PolarHBondContact O-N 3.42Å; F70-V73 WeakPolarHBondContact O-CB 3.44Å; F70-V73 PolarHBondContact O-N 2.91Å; V73-Q76 PolarHBondContact O-N 2.85Å; V73-K77 WeakPolarHBondContact O-CA 3.48Å; V73-K77 PolarHBondContact O-N 2.95Å; V73-L78 HydrophobicContact CG1-CB 4.01Å; V73-L78 PolarHBondContact O-N 3.04Å; V73-F79 HydrophobicContact CG1-CB 3.95Å; V73-F79 HydrophobicContact CG1-CD1 4.19Å; V73-W85 HydrophobicContact CG1-CZ2 4.38Å; V73-W85 HydrophobicContact CG2-CH2 3.73Å; V73-W85 HydrophobicContact CG2-CZ2 3.34Å; V73-A114 HydrophobicContact CG1-CB 4.47Å
74Y96.7Very high93.9Very high39 Ų3944.4 Ų44.415%0.15319%0.191CC..Hα-helixtrans-59.4-52.7175.3178.8-102.2000111.5F70 C71 E72 Q76 K77 F79 E110 A114F70-Y74 WeakPolarHBondContact O-CB 3.46Å; F70-Y74 PolarHBondContact O-N 3.3Å; C71-Y74 WeakPolarHBondContact O-CB 3.41Å; C71-Y74 PolarHBondContact O-N 3.23Å; E72-Y74 VanDerWaalsContact C-N 3.27Å; E72-Y74 PolarHBondContact O-N 2.94Å; Y74-Q76 VanDerWaalsContact C-N 3.31Å; Y74-Q76 PolarHBondContact O-N 3.05Å; Y74-K77 WeakPolarHBondContact O-CD 3.48Å; Y74-K77 PolarHBondContact O-N 3.27Å; Y74-K77 VanDerWaalsContact O-N 3.11Å; Y74-F79 AromaticContact CD2-CE1 3.59Å; Y74-F79 HydrophobicContact CD2-CE1 3.59Å; Y74-F79 AromaticContact CD2-CZ 3.68Å; Y74-F79 HydrophobicContact CD2-CZ 3.68Å; Y74-F79 HydrophobicContact CE2-CE1 4.25Å; Y74-F79 AromaticContact CE2-CZ 3.95Å; Y74-F79 HydrophobicContact CE2-CZ 3.95Å; Y74-F79 HydrophobicContact CG-CE1 4.3Å; Y74-E110 HydrophobicContact CD1-CB 3.92Å; Y74-E110 HydrophobicContact CD1-CG 4.22Å; Y74-E110 HydrophobicContact CD2-CB 3.99Å; Y74-E110 WeakPolarHBondContact CD2-O 3.35Å; Y74-E110 HydrophobicContact CE1-CB 3.77Å; Y74-E110 VanDerWaalsContact CE1-CD 3.41Å; Y74-E110 HydrophobicContact CE1-CG 3.56Å; Y74-E110 WeakPolarHBondContact CE1-OE1 3.29Å; Y74-E110 HydrophobicContact CE2-CB 3.87Å; Y74-E110 HydrophobicContact CE2-CG 3.93Å; Y74-E110 HydrophobicContact CG-CB 4.03Å; Y74-E110 WeakPolarHBondContact OH-CG 3.28Å; Y74-E110 PolarHBondContact OH-OE1 3.31Å; Y74-A114 HydrophobicContact CD2-CB 4.33Å
75K96.4Very high94.1Very high92 Ų9241 Ų4140%0.418%0.176SC..Hα-helixtrans-61.3-37.8-179.9-68.9172.6-167.3167.30112.8C71 E72 K77C71-K75 WeakPolarHBondContact O-CG 3.49Å; C71-K75 PolarHBondContact O-N 3.06Å; C71-K75 VanDerWaalsContact O-N 3.12Å; E72-K75 PolarHBondContact O-N 3.38Å; E72-K75 WeakPolarHBondContact OE1-CD 3.46Å; E72-K75 IonicContact OE1-NZ 2.57Å; E72-K75 PolarHBondContact OE1-NZ 3.08Å; K75-K77 VanDerWaalsContact C-N 3.33Å
76Q94.6Very high94.3Very high42 Ų4241.5 Ų41.520%0.19618%0.177CC..Hα-helixtrans-84.5-6.5179.2-62.5-55.3-35.500113.7V46 R47 K50 E72 V73 Y74 L78V46-Q76 HydrophobicContact CG1-CB 4.2Å; V46-Q76 HydrophobicContact CG1-CG 3.94Å; R47-Q76 HydrophobicContact CG-CG 4.45Å; K50-Q76 HydrophobicContact CD-CB 4.32Å; K50-Q76 PolarHBondContact NZ-O 3.43Å; E72-Q76 WeakPolarHBondContact O-CB 2.89Å; E72-Q76 VanDerWaalsContact O-CG 3.32Å; E72-Q76 WeakPolarHBondContact O-CG 3.44Å; E72-Q76 PolarHBondContact O-N 2.9Å; V73-Q76 PolarHBondContact O-N 2.85Å; Y74-Q76 VanDerWaalsContact C-N 3.31Å; Y74-Q76 PolarHBondContact O-N 3.05Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 HydrophobicContact CB-CD1 4.31Å; Q76-L78 HydrophobicContact CB-CG 4Å
77K94Very high94.3Very high97 Ų9741.7 Ų41.742%0.42218%0.178SC..THydrogen-bonded Turntrans59.337.8-176.1-59.8-66.5179.5-170.10113.8V73 Y74 K75 F79V73-K77 WeakPolarHBondContact O-CA 3.48Å; V73-K77 PolarHBondContact O-N 2.95Å; Y74-K77 WeakPolarHBondContact O-CD 3.48Å; Y74-K77 PolarHBondContact O-N 3.27Å; Y74-K77 VanDerWaalsContact O-N 3.11Å; K75-K77 VanDerWaalsContact C-N 3.33Å; K77-F79 VanDerWaalsContact C-N 3.25Å; K77-F79 HydrophobicContact CD-CE1 3.72Å; K77-F79 HydrophobicContact CD-CZ 3.94Å; K77-F79 PolarHBondContact O-N 3.39Å
78L93.8Very high94.2Very high1 Ų142.6 Ų42.61%0.00518%0.184CC..THydrogen-bonded Turntrans-87.227.5178.5-64.4-176.7000114V46 L49 K50 V73 Q76 Y83 W85V46-L78 HydrophobicContact CG1-CD1 3.6Å; L49-L78 HydrophobicContact CB-CD1 4.45Å; K50-L78 HydrophobicContact CB-CD1 4.28Å; K50-L78 HydrophobicContact CB-CD2 3.97Å; K50-L78 HydrophobicContact CD-CD2 4.27Å; K50-L78 HydrophobicContact CG-CD2 4.06Å; V73-L78 HydrophobicContact CG1-CB 4.01Å; V73-L78 PolarHBondContact O-N 3.04Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 HydrophobicContact CB-CD1 4.31Å; Q76-L78 HydrophobicContact CB-CG 4Å; L78-Y83 HydrophobicContact CD2-CD1 4.15Å; L78-Y83 HydrophobicContact CD2-CD2 4.42Å; L78-Y83 HydrophobicContact CD2-CE1 3.53Å; L78-Y83 HydrophobicContact CD2-CE2 3.84Å; L78-Y83 WeakPolarHBondContact CD2-OH 3.22Å; L78-Y83 VanDerWaalsContact O-CB 3.26Å; L78-Y83 WeakPolarHBondContact O-CB 3.47Å; L78-W85 PolarHBondContact O-NE1 3.04Å
79F92.5Very high93.9Very high23 Ų2341.1 Ų41.110%0.10118%0.18CC..THydrogen-bonded Turntrans-128.59.8177.665.9-86.1000112V73 Y74 K77 E113 A114V73-F79 HydrophobicContact CG1-CB 3.95Å; V73-F79 HydrophobicContact CG1-CD1 4.19Å; Y74-F79 AromaticContact CD2-CE1 3.59Å; Y74-F79 HydrophobicContact CD2-CE1 3.59Å; Y74-F79 AromaticContact CD2-CZ 3.68Å; Y74-F79 HydrophobicContact CD2-CZ 3.68Å; Y74-F79 HydrophobicContact CE2-CE1 4.25Å; Y74-F79 AromaticContact CE2-CZ 3.95Å; Y74-F79 HydrophobicContact CE2-CZ 3.95Å; Y74-F79 HydrophobicContact CG-CE1 4.3Å; K77-F79 VanDerWaalsContact C-N 3.25Å; K77-F79 HydrophobicContact CD-CE1 3.72Å; K77-F79 HydrophobicContact CD-CZ 3.94Å; K77-F79 PolarHBondContact O-N 3.39Å; F79-E113 WeakPolarHBondContact CD2-O 3.43Å; F79-E113 HydrophobicContact CE2-CB 4.46Å; F79-E113 HydrophobicContact CE2-CG 3.68Å; F79-E113 VanDerWaalsContact CE2-OE1 3.3Å; F79-E113 WeakPolarHBondContact CE2-OE1 3.43Å; F79-E113 HydrophobicContact CZ-CG 4.25Å; F79-E113 WeakPolarHBondContact CZ-OE1 3.04Å; F79-A114 HydrophobicContact CB-CB 4.45Å; F79-A114 WeakPolarHBondContact CB-O 3.45Å; F79-A114 HydrophobicContact CD1-CB 4.02Å; F79-A114 HydrophobicContact CE1-CB 4.45Å; F79-A114 HydrophobicContact CG-CB 4.13Å
80S85.1Confident93.6Very high38 Ų3845.5 Ų45.527%0.26620%0.196SC..SBendtrans-75.3-179.6179.869.10000112R82 Y83S80-R82 PolarHBondContact O-N 2.88Å; S80-Y83 PolarHBondContact O-N 2.99Å; S80-Y83 WeakPolarHBondContact OG-CD2 3.4Å
81R89.2Confident93.3Very high181 Ų18146.3 Ų46.368%0.68320%0.199SC*.THydrogen-bonded Turntrans-527.2173.350.9-178.4161.2-170.5-4.9117.6V265 P270R81-V265 HydrophobicContact CB-CB 4.1Å; R81-V265 HydrophobicContact CB-CG1 4.03Å; R81-V265 VanDerWaalsContact CB-O 3.31Å; R81-V265 WeakPolarHBondContact CB-O 3.46Å; R81-P270 WeakPolarHBondContact O-CB 3.22Å
82R90.4Very high92.9Very high143 Ų14349.1 Ų49.154%0.5422%0.217SC..THydrogen-bonded Turntrans-114.9-6.8176.7-59.8-175.5-179.4-174.1-1.5113.3R55 S80R55-R82 WeakPolarHBondContact CD-O 3.38Å; S80-R82 PolarHBondContact O-N 2.88Å
83Y93.1Very high92.6Very high29 Ų2952.8 Ų52.811%0.11424%0.237CC..  trans-129.8138.6-168.5-56.3-77.5000110.9A54 R55 I57 L78 S80A54-Y83 WeakPolarHBondContact O-CD1 3.43Å; A54-Y83 WeakPolarHBondContact O-CE1 3.34Å; R55-Y83 PolarHBondContact NH1-OH 3.24Å; R55-Y83 WeakPolarHBondContact O-CA 3.46Å; I57-Y83 HydrophobicContact CD1-CD1 4.15Å; L78-Y83 HydrophobicContact CD2-CD1 4.15Å; L78-Y83 HydrophobicContact CD2-CD2 4.42Å; L78-Y83 HydrophobicContact CD2-CE1 3.53Å; L78-Y83 HydrophobicContact CD2-CE2 3.84Å; L78-Y83 WeakPolarHBondContact CD2-OH 3.22Å; L78-Y83 VanDerWaalsContact O-CB 3.26Å; L78-Y83 WeakPolarHBondContact O-CB 3.47Å; S80-Y83 PolarHBondContact O-N 2.99Å; S80-Y83 WeakPolarHBondContact OG-CD2 3.4Å
84I94.1Very high92.4Very high25 Ų2557.5 Ų57.513%0.12826%0.263CS..EExtended strand (participates in β ladder)trans-125.1132.5172.5-61170.3000108R55 I57 F86 F119 F264 P270R55-I84 PolarHBondContact O-N 3.14Å; I57-I84 PolarHBondContact N-O 3.39Å; I84-F86 HydrophobicContact CG2-CD2 4.1Å; I84-F86 HydrophobicContact CG2-CE2 3.57Å; I84-F86 HydrophobicContact CG2-CZ 4.18Å; I84-F119 HydrophobicContact CG2-CD2 3.74Å; I84-F119 HydrophobicContact CG2-CE2 3.87Å; I84-F264 HydrophobicContact CD1-CD1 4.37Å; I84-F264 HydrophobicContact CD1-CE1 3.8Å; I84-F264 HydrophobicContact CG1-CE1 4.28Å; I84-P270 HydrophobicContact CD1-CB 4.5Å; I84-P270 HydrophobicContact CD1-CG 4.13Å; I84-P270 HydrophobicContact CG1-CG 3.97Å
85W96.4Very high92.2Very high11 Ų1155.8 Ų55.84%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-110.2136176.4-75.982.1000110.7L49 I57 V69 F70 V73 L78 L87 H118 F119L49-W85 HydrophobicContact CD1-CH2 4.2Å; I57-W85 HydrophobicContact CB-CD2 3.98Å; I57-W85 HydrophobicContact CB-CE3 3.94Å; I57-W85 HydrophobicContact CB-CH2 4.14Å; I57-W85 HydrophobicContact CB-CZ2 4.14Å; I57-W85 HydrophobicContact CB-CZ3 4.04Å; I57-W85 HydrophobicContact CD1-CZ2 4.21Å; I57-W85 HydrophobicContact CG1-CZ2 4.29Å; I57-W85 HydrophobicContact CG2-CD2 4.23Å; I57-W85 HydrophobicContact CG2-CE3 3.71Å; I57-W85 HydrophobicContact CG2-CH2 3.51Å; I57-W85 HydrophobicContact CG2-CZ2 4.01Å; I57-W85 HydrophobicContact CG2-CZ3 3.34Å; I57-W85 CarbonylContact O-C 3.54Å; I57-W85 WeakPolarHBondContact O-CA 3.41Å; V69-W85 HydrophobicContact CG1-CH2 4.18Å; V69-W85 HydrophobicContact CG1-CZ3 4.34Å; F70-W85 HydrophobicContact CE2-CE3 4.34Å; F70-W85 HydrophobicContact CZ-CB 4.28Å; F70-W85 HydrophobicContact CZ-CD2 4.16Å; F70-W85 HydrophobicContact CZ-CE3 4.19Å; F70-W85 HydrophobicContact CZ-CG 4.19Å; V73-W85 HydrophobicContact CG1-CZ2 4.38Å; V73-W85 HydrophobicContact CG2-CH2 3.73Å; V73-W85 HydrophobicContact CG2-CZ2 3.34Å; L78-W85 PolarHBondContact O-NE1 3.04Å; W85-L87 HydrophobicContact CE3-CD2 4.34Å; W85-H118 HydrophobicContact CB-CB 3.85Å; W85-H118 CarbonylContact O-C 3.58Å; W85-H118 WeakPolarHBondContact O-CA 3.48Å; W85-H118 WeakPolarHBondContact O-CB 3.37Å; W85-F119 PolarHBondContact O-N 3.47Å
86F96.5Very high92.1Very high65 Ų6552 Ų5229%0.28524%0.239SC..EExtended strand (participates in β ladder)trans-114.8125.8168.9-71.5-93.9000108.9I56 I57 V58 G59 I84 F119I56-F86 HydrophobicContact CG2-CD2 3.97Å; I56-F86 HydrophobicContact CG2-CE2 3.84Å; I57-F86 PolarHBondContact O-N 3.47Å; V58-F86 CarbonylContact C-O 3.58Å; V58-F86 WeakPolarHBondContact CA-O 3.47Å; V58-F86 HydrophobicContact CG1-CB 4.46Å; V58-F86 HydrophobicContact CG2-CB 4.21Å; G59-F86 PolarHBondContact N-O 3.24Å; I84-F86 HydrophobicContact CG2-CD2 4.1Å; I84-F86 HydrophobicContact CG2-CE2 3.57Å; I84-F86 HydrophobicContact CG2-CZ 4.18Å; F86-F119 CarbonylContact C-O 3.52Å; F86-F119 WeakPolarHBondContact CA-O 3.28Å; F86-F119 HydrophobicContact CD1-CB 3.52Å; F86-F119 HydrophobicContact CD1-CG 4.27Å; F86-F119 HydrophobicContact CE1-CB 3.58Å; F86-F119 HydrophobicContact CE1-CD2 4.01Å; F86-F119 AromaticContact CE1-CG 3.83Å; F86-F119 HydrophobicContact CE1-CG 3.83Å; F86-F119 HydrophobicContact CE2-CD2 4.49Å; F86-F119 HydrophobicContact CG-CB 4.26Å; F86-F119 HydrophobicContact CZ-CB 4.37Å; F86-F119 AromaticContact CZ-CD2 3.97Å; F86-F119 HydrophobicContact CZ-CD2 3.97Å; F86-F119 HydrophobicContact CZ-CG 4.27Å
87L96.1Very high92.1Very high3 Ų352.9 Ų52.92%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-121.6163.4178.2-56-175.9000111F61 F70 W85 Y91 W95 F119 T120 T121F61-L87 HydrophobicContact CE1-CD2 4.44Å; F61-L87 HydrophobicContact CE2-CD2 3.78Å; F61-L87 HydrophobicContact CZ-CD2 3.47Å; F61-L87 VanDerWaalsContact CZ-CD2 3.47Å; F70-L87 HydrophobicContact CE2-CD1 3.64Å; F70-L87 HydrophobicContact CE2-CD2 3.88Å; F70-L87 HydrophobicContact CE2-CG 4.31Å; F70-L87 HydrophobicContact CZ-CD1 3.68Å; F70-L87 HydrophobicContact CZ-CD2 4.14Å; F70-L87 HydrophobicContact CZ-CG 4.26Å; W85-L87 HydrophobicContact CE3-CD2 4.34Å; L87-Y91 HydrophobicContact CD1-CE2 4.29Å; L87-W95 HydrophobicContact CD1-CH2 4.03Å; L87-W95 HydrophobicContact CD1-CZ2 3.6Å; L87-F119 PolarHBondContact N-O 2.93Å; L87-T120 HydrophobicContact CB-CG2 4.36Å; L87-T120 VanDerWaalsContact O-CA 3.29Å; L87-T120 WeakPolarHBondContact O-CA 3.44Å; L87-T121 PolarHBondContact O-N 2.98Å
88I91.5Very high92.1Very high32 Ų3250 Ų5016%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-71.5131.5167.8-50.5167.5000108.3L14 L60 W90L14-I88 HydrophobicContact CD2-CD1 3.67Å; L60-I88 HydrophobicContact CD2-CD1 3.92Å; L60-I88 HydrophobicContact CD2-CG1 3.92Å; I88-W90 HydrophobicContact CB-CG 4.49Å; I88-W90 HydrophobicContact CD1-CZ2 4.12Å; I88-W90 HydrophobicContact CG2-CB 4.46Å; I88-W90 VanDerWaalsContact CG2-CD1 3.41Å; I88-W90 HydrophobicContact CG2-CD2 3.91Å; I88-W90 HydrophobicContact CG2-CG 3.69Å; I88-W90 PolarHBondContact O-N 3.01Å
89G90.5Very high91.9Very high9 Ų952.8 Ų52.89%0.09326%0.256CS..SBendtrans-80.1-6.4-170.600000117.4Y91 T121 E122G89-Y91 PolarHBondContact O-N 2.82Å; G89-T121 PolarHBondContact N-O 3.26Å; G89-E122 VanDerWaalsContact C-OE2 3.24Å
90W88.3Confident91.6Very high97 Ų9763.5 Ų63.537%0.36730%0.296SS..  trans-66.511.4-179.863.5-7.9000116.5Y62 I88 E122Y62-W90 HydrophobicContact CD1-CH2 4.25Å; Y62-W90 HydrophobicContact CD1-CZ2 4.1Å; Y62-W90 AromaticContact CE1-CH2 3.7Å; Y62-W90 HydrophobicContact CE1-CH2 3.7Å; Y62-W90 AromaticContact CE1-CZ2 3.99Å; Y62-W90 HydrophobicContact CE1-CZ2 3.99Å; I88-W90 HydrophobicContact CB-CG 4.49Å; I88-W90 HydrophobicContact CD1-CZ2 4.12Å; I88-W90 HydrophobicContact CG2-CB 4.46Å; I88-W90 VanDerWaalsContact CG2-CD1 3.41Å; I88-W90 HydrophobicContact CG2-CD2 3.91Å; I88-W90 HydrophobicContact CG2-CG 3.69Å; I88-W90 PolarHBondContact O-N 3.01Å; W90-E122 WeakPolarHBondContact CA-OE1 3.37Å; W90-E122 PolarHBondContact N-OE2 3.47Å
91Y90.6Very high91.5Very high18 Ų1868.9 Ų68.97%0.07132%0.316CS..SBendtrans-87.3150.7178.8-62.8-27.7000111.2F61 E63 A66 L87 G89 W95F61-Y91 VanDerWaalsContact CD2-OH 3.29Å; F61-Y91 WeakPolarHBondContact CD2-OH 3.46Å; F61-Y91 PolarHBondContact O-OH 2.91Å; E63-Y91 HydrophobicContact CB-CD1 4.09Å; E63-Y91 HydrophobicContact CB-CE1 4.1Å; E63-Y91 HydrophobicContact CG-CD1 4.38Å; A66-Y91 HydrophobicContact CB-CE2 4.07Å; L87-Y91 HydrophobicContact CD1-CE2 4.29Å; G89-Y91 PolarHBondContact O-N 2.82Å; Y91-W95 AromaticContact CD2-CD1 3.98Å; Y91-W95 AromaticContact CD2-CD2 3.88Å; Y91-W95 HydrophobicContact CD2-CD2 3.88Å; Y91-W95 HydrophobicContact CD2-CE3 4.46Å; Y91-W95 AromaticContact CD2-CG 3.9Å; Y91-W95 HydrophobicContact CD2-CG 3.9Å; Y91-W95 HydrophobicContact CG-CB 4.32Å; Y91-W95 HydrophobicContact CG-CD2 4.5Å; Y91-W95 HydrophobicContact CG-CG 4.1Å
92P89.2Confident91.3Very high61 Ų6160.6 Ų60.640%0.39629%0.286SS..  trans-58.3151.1167.1-22.233.2000112D94 W95P92-D94 PolarHBondContact O-N 3.01Å; P92-W95 VanDerWaalsContact O-CB 3.29Å; P92-W95 WeakPolarHBondContact O-CB 3.41Å; P92-W95 PolarHBondContact O-N 3.15Å
93D89.9Confident91.2Very high102 Ų10260.9 Ų60.955%0.54530%0.298SS..THydrogen-bonded Turntrans-53.8-29.9-178.4-72.6-6.5000114Y96 Y243D93-Y96 VanDerWaalsContact O-CE1 3.25Å; D93-Y96 WeakPolarHBondContact O-CE1 3.36Å; D93-Y243 HydrophobicContact CB-CD2 4.45Å
94D91.7Very high91Very high100 Ų10061 Ų6154%0.53530%0.3SS..THydrogen-bonded Turntrans-105.118.2-17866.3-23.2000113.8P92 Y96 V97P92-D94 PolarHBondContact O-N 3.01Å; D94-Y96 PolarHBondContact O-N 3.49Å; D94-V97 HydrophobicContact CB-CG2 4.18Å; D94-V97 WeakPolarHBondContact O-CB 3.47Å; D94-V97 WeakPolarHBondContact O-CG2 3.43Å; D94-V97 PolarHBondContact O-N 3.31Å
95W93.1Very high90.9Very high3 Ų366.5 Ų66.51%0.01133%0.33CS..THydrogen-bonded Turntrans-53.3-27.9-174.570.8-94.3000114.9E63 A66 R67 F70 L87 Y91 P92 V97 A115 H118 Y243E63-W95 HydrophobicContact CG-CB 4.03Å; A66-W95 HydrophobicContact CB-CE3 3.81Å; A66-W95 HydrophobicContact CB-CH2 4.25Å; A66-W95 HydrophobicContact CB-CZ3 3.47Å; A66-W95 VanDerWaalsContact CB-CZ3 3.47Å; R67-W95 WeakPolarHBondContact CD-O 3.27Å; R67-W95 HydrophobicContact CG-CE3 4.18Å; R67-W95 HydrophobicContact CG-CZ3 4.34Å; R67-W95 WeakPolarHBondContact CG-O 3.38Å; R67-W95 PolarHBondContact NH1-O 3.49Å; F70-W95 HydrophobicContact CB-CH2 4.29Å; F70-W95 HydrophobicContact CD1-CH2 4.15Å; F70-W95 AromaticContact CD2-CH2 3.52Å; F70-W95 HydrophobicContact CD2-CH2 3.52Å; F70-W95 HydrophobicContact CD2-CZ3 4.17Å; F70-W95 HydrophobicContact CE1-CH2 4.39Å; F70-W95 AromaticContact CE2-CH2 3.76Å; F70-W95 HydrophobicContact CE2-CH2 3.76Å; F70-W95 HydrophobicContact CE2-CZ2 4.43Å; F70-W95 AromaticContact CG-CH2 3.71Å; F70-W95 HydrophobicContact CG-CH2 3.71Å; F70-W95 HydrophobicContact CG-CZ3 4.4Å; F70-W95 HydrophobicContact CZ-CH2 4.21Å; L87-W95 HydrophobicContact CD1-CH2 4.03Å; L87-W95 HydrophobicContact CD1-CZ2 3.6Å; Y91-W95 AromaticContact CD2-CD1 3.98Å; Y91-W95 AromaticContact CD2-CD2 3.88Å; Y91-W95 HydrophobicContact CD2-CD2 3.88Å; Y91-W95 HydrophobicContact CD2-CE3 4.46Å; Y91-W95 AromaticContact CD2-CG 3.9Å; Y91-W95 HydrophobicContact CD2-CG 3.9Å; Y91-W95 HydrophobicContact CG-CB 4.32Å; Y91-W95 HydrophobicContact CG-CD2 4.5Å; Y91-W95 HydrophobicContact CG-CG 4.1Å; P92-W95 VanDerWaalsContact O-CB 3.29Å; P92-W95 WeakPolarHBondContact O-CB 3.41Å; P92-W95 PolarHBondContact O-N 3.15Å; W95-V97 VanDerWaalsContact C-N 3.25Å; W95-V97 PolarHBondContact O-N 2.9Å; W95-A115 HydrophobicContact CZ2-CB 4.25Å; W95-H118 AromaticContact NE1-CE1 3.97Å; W95-Y243 PolarHBondContact NE1-OH 3.12Å
96Y94.1Very high90.8Very high12 Ų1266.6 Ų66.65%0.04733%0.332CS..THydrogen-bonded Turntrans-74.1-14.2-178.154.9-96.3000112.7D93 D94 P98 M111 K112 A115 L238D93-Y96 VanDerWaalsContact O-CE1 3.25Å; D93-Y96 WeakPolarHBondContact O-CE1 3.36Å; D94-Y96 PolarHBondContact O-N 3.49Å; Y96-P98 WeakPolarHBondContact O-CD 3.25Å; Y96-M111 WeakPolarHBondContact O-CB 3.45Å; Y96-K112 HydrophobicContact CD2-CB 3.96Å; Y96-K112 HydrophobicContact CE2-CB 3.66Å; Y96-K112 HydrophobicContact CE2-CD 4.25Å; Y96-K112 HydrophobicContact CE2-CG 3.83Å; Y96-A115 HydrophobicContact CD1-CB 4.28Å; Y96-A115 HydrophobicContact CG-CB 4.2Å; Y96-L238 HydrophobicContact CD1-CD2 4.05Å; Y96-L238 HydrophobicContact CE1-CD1 4.43Å; Y96-L238 HydrophobicContact CE1-CD2 3.77Å
97V94.2Very high90.8Very high60 Ų6066.9 Ų66.936%0.36434%0.339SS..SBendtrans-67.3121.5178.2178.80000110R67 D94 W95 T99R67-V97 VanDerWaalsContact CD-O 3.31Å; R67-V97 WeakPolarHBondContact CD-O 3.33Å; D94-V97 HydrophobicContact CB-CG2 4.18Å; D94-V97 WeakPolarHBondContact O-CB 3.47Å; D94-V97 WeakPolarHBondContact O-CG2 3.43Å; D94-V97 PolarHBondContact O-N 3.31Å; W95-V97 VanDerWaalsContact C-N 3.25Å; W95-V97 PolarHBondContact O-N 2.9Å; V97-T99 PolarHBondContact O-N 2.84Å
98P92.9Very high90.7Very high37 Ų3768.3 Ų68.324%0.2435%0.352CS..PPolyproline II helixtrans-55.3131.8176.5-28.436.2000113.1Y96 I104 C106 M111Y96-P98 WeakPolarHBondContact O-CD 3.25Å; P98-I104 HydrophobicContact CB-CD1 3.66Å; P98-I104 HydrophobicContact CB-CG1 4.01Å; P98-I104 HydrophobicContact CG-CD1 3.74Å; P98-I104 HydrophobicContact CG-CG1 4.42Å; P98-C106 WeakPolarHBondContact CG-O 3.43Å; P98-M111 HydrophobicContact CG-CG 3.81Å
99T90.6Very high90.9Very high60 Ų6073.3 Ų73.337%0.36837%0.374SS..PPolyproline II helixtrans-99.9156.7168.476.80000110.3V97 E101 D102V97-T99 PolarHBondContact O-N 2.84Å; T99-E101 PolarHBondContact O-N 3.34Å; T99-E101 VanDerWaalsContact O-N 3.09Å; T99-D102 WeakPolarHBondContact CA-OD2 3.41Å; T99-D102 WeakPolarHBondContact CB-OD2 3.21Å; T99-D102 PolarHBondContact N-OD2 3.16Å; T99-D102 PolarHBondContact O-N 2.95Å; T99-D102 VanDerWaalsContact O-N 3.17Å; T99-D102 PolarHBondContact OG1-OD1 3.11Å; T99-D102 PolarHBondContact OG1-OD2 2.88Å
100R85.3Confident91.2Very high247 Ų24775.3 Ų75.393%0.93238%0.382SS*.THydrogen-bonded Turntrans-60.4-21.7179.5-67-177.1-179.6177.30.6113.4
101E84.4Confident91.6Very high151 Ų15170.7 Ų70.771%0.70636%0.364SS*.THydrogen-bonded Turntrans-87.5-6.6-177.1-60.2-176.6-178.300113.9K64 T99K64-E101 PolarHBondContact NZ-O 3.49Å; T99-E101 PolarHBondContact O-N 3.34Å; T99-E101 VanDerWaalsContact O-N 3.09Å
102D85.1Confident91.8Very high7 Ų772.8 Ų72.84%0.03737%0.373CS..SBendtrans-84.3-20.8-174.7-61.6-43.5000113.1R67 T99 I104R67-D102 WeakPolarHBondContact CD-OD2 3.37Å; R67-D102 IonicContact CZ-OD1 2.74Å; R67-D102 IonicContact CZ-OD2 3.57Å; R67-D102 VanDerWaalsContact NE-CG 3.28Å; R67-D102 IonicContact NE-OD1 3.74Å; R67-D102 PolarHBondContact NE-OD1 3.49Å; R67-D102 IonicContact NE-OD2 3.45Å; R67-D102 PolarHBondContact NE-OD2 3.01Å; R67-D102 IonicContact NH2-OD1 3.48Å; R67-D102 PolarHBondContact NH2-OD1 3.34Å; R67-D102 VanDerWaalsContact NH2-OD1 3.16Å; R67-D102 IonicContact NH2-OD2 3.66Å; R67-D102 PolarHBondContact NH2-OD2 3.37Å; T99-D102 WeakPolarHBondContact CA-OD2 3.41Å; T99-D102 WeakPolarHBondContact CB-OD2 3.21Å; T99-D102 PolarHBondContact N-OD2 3.16Å; T99-D102 PolarHBondContact O-N 2.95Å; T99-D102 VanDerWaalsContact O-N 3.17Å; T99-D102 PolarHBondContact OG1-OD1 3.11Å; T99-D102 PolarHBondContact OG1-OD2 2.88Å; D102-I104 HydrophobicContact CB-CD1 4.34Å; D102-I104 HydrophobicContact CB-CG1 4Å; D102-I104 HydrophobicContact CB-CG2 4.09Å; D102-I104 PolarHBondContact O-N 3.41Å
103N86.8Confident92.1Very high149 Ų14974.2 Ų74.280%0.79738%0.375SS*.  trans49.642.4-174.9-67.1-22.6000112.8
104I90Very high92.4Very high32 Ų3269.5 Ų69.516%0.16435%0.35CS..  trans-98.5139.3179.456.8173000112R67 K68 C71 P98 D102 C106 M111R67-I104 HydrophobicContact CB-CD1 4.23Å; K68-I104 HydrophobicContact CB-CG2 4.46Å; K68-I104 HydrophobicContact CG-CG2 3.87Å; C71-I104 HydrophobicContact CB-CB 4.48Å; P98-I104 HydrophobicContact CB-CD1 3.66Å; P98-I104 HydrophobicContact CB-CG1 4.01Å; P98-I104 HydrophobicContact CG-CD1 3.74Å; P98-I104 HydrophobicContact CG-CG1 4.42Å; D102-I104 HydrophobicContact CB-CD1 4.34Å; D102-I104 HydrophobicContact CB-CG1 4Å; D102-I104 HydrophobicContact CB-CG2 4.09Å; D102-I104 PolarHBondContact O-N 3.41Å; I104-C106 VanDerWaalsContact C-N 3.31Å; I104-C106 PolarHBondContact O-N 3.42Å; I104-M111 HydrophobicContact CD1-SD 4.42Å
105N91.4Very high92.6Very high141 Ų14164.7 Ų64.775%0.75432%0.324SS*.SBendtrans-94.253.7177.2-67.2-9.3000111
106C95.4Very high92.7Very high13 Ų1366.3 Ų66.39%0.08833%0.332CS..  trans-140.5144174.1-67.50000109.7C71 P98 I104 M111C71-C106 WeakPolarHBondContact CA-SG 3.19Å; C71-C106 HydrophobicContact CB-CB 3.82Å; C71-C106 WeakPolarHBondContact CB-SG 3.25Å; C71-C106 PolarHBondContact O-SG 3.38Å; C71-C106 WeakPolarHBondContact SG-CB 3.49Å; C71-C106 CovalentContact SG-SG 2.04Å; C71-C106 PolarHBondContact SG-SG 2.96Å; P98-C106 WeakPolarHBondContact CG-O 3.43Å; I104-C106 VanDerWaalsContact C-N 3.31Å; I104-C106 PolarHBondContact O-N 3.42Å; C106-M111 HydrophobicContact CB-CG 4.05Å; C106-M111 HydrophobicContact CB-SD 3.9Å
107T95.5Very high92.8Very high70 Ų7068.9 Ų68.943%0.42934%0.342SS..  trans-80.8164.2175.660.70000111.6E109 E110 M111T107-E109 VanDerWaalsContact C-N 3.25Å; T107-E109 PolarHBondContact O-N 3.11Å; T107-E110 PolarHBondContact N-OE2 2.87Å; T107-E110 PolarHBondContact O-N 3.48Å; T107-E110 WeakPolarHBondContact OG1-CB 3.4Å; T107-E110 VanDerWaalsContact OG1-CD 3.26Å; T107-E110 WeakPolarHBondContact OG1-CG 3.37Å; T107-E110 PolarHBondContact OG1-N 2.96Å; T107-E110 PolarHBondContact OG1-OE2 3.16Å; T107-M111 VanDerWaalsContact O-CG 3.29Å; T107-M111 WeakPolarHBondContact O-CG 3.23Å; T107-M111 PolarHBondContact O-N 3.14Å
108A94.7Very high92.9Very high34 Ų3466.1 Ų66.128%0.28133%0.325SS..Hα-helixtrans-63.2-35.4179.200000111.8M111 K112A108-M111 PolarHBondContact O-N 3.02Å; A108-K112 VanDerWaalsContact O-CB 3.25Å; A108-K112 WeakPolarHBondContact O-CB 3.46Å; A108-K112 PolarHBondContact O-N 3.17Å
109E95.5Very high93.1Very high136 Ų13664.7 Ų64.764%0.63632%0.315SS*.Hα-helixtrans-66.3-44.2177.4-65.272-162.600111.3T107 K112 E113T107-E109 VanDerWaalsContact C-N 3.25Å; T107-E109 PolarHBondContact O-N 3.11Å; E109-K112 PolarHBondContact O-N 3.45Å; E109-E113 WeakPolarHBondContact O-CB 3.34Å; E109-E113 PolarHBondContact O-N 3.41Å
110E96.5Very high93.4Very high52 Ų5262 Ų6224%0.24330%0.299CS..Hα-helixtrans-65.5-40.5176.7-69.5173.6135.900112Y74 T107 E113 A114Y74-E110 HydrophobicContact CD1-CB 3.92Å; Y74-E110 HydrophobicContact CD1-CG 4.22Å; Y74-E110 HydrophobicContact CD2-CB 3.99Å; Y74-E110 WeakPolarHBondContact CD2-O 3.35Å; Y74-E110 HydrophobicContact CE1-CB 3.77Å; Y74-E110 VanDerWaalsContact CE1-CD 3.41Å; Y74-E110 HydrophobicContact CE1-CG 3.56Å; Y74-E110 WeakPolarHBondContact CE1-OE1 3.29Å; Y74-E110 HydrophobicContact CE2-CB 3.87Å; Y74-E110 HydrophobicContact CE2-CG 3.93Å; Y74-E110 HydrophobicContact CG-CB 4.03Å; Y74-E110 WeakPolarHBondContact OH-CG 3.28Å; Y74-E110 PolarHBondContact OH-OE1 3.31Å; T107-E110 PolarHBondContact N-OE2 2.87Å; T107-E110 PolarHBondContact O-N 3.48Å; T107-E110 WeakPolarHBondContact OG1-CB 3.4Å; T107-E110 VanDerWaalsContact OG1-CD 3.26Å; T107-E110 WeakPolarHBondContact OG1-CG 3.37Å; T107-E110 PolarHBondContact OG1-N 2.96Å; T107-E110 PolarHBondContact OG1-OE2 3.16Å; E110-E113 PolarHBondContact O-N 2.91Å; E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 2.98Å
111M96.4Very high93.8Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-64.7-44.3174.8-71.5-60-6200111.7R67 F70 C71 Y96 P98 I104 C106 T107 A108 E113 A114 A115R67-M111 HydrophobicContact CB-CE 4.2Å; R67-M111 HydrophobicContact CG-CE 4.36Å; R67-M111 WeakPolarHBondContact O-CE 3.38Å; F70-M111 HydrophobicContact CB-CE 3.54Å; F70-M111 HydrophobicContact CB-SD 4.45Å; C71-M111 VanDerWaalsContact CA-SD 3.56Å; C71-M111 HydrophobicContact CB-SD 3.68Å; C71-M111 PolarHBondContact N-SD 3.34Å; C71-M111 VanDerWaalsContact N-SD 3.43Å; Y96-M111 WeakPolarHBondContact O-CB 3.45Å; P98-M111 HydrophobicContact CG-CG 3.81Å; I104-M111 HydrophobicContact CD1-SD 4.42Å; C106-M111 HydrophobicContact CB-CG 4.05Å; C106-M111 HydrophobicContact CB-SD 3.9Å; T107-M111 VanDerWaalsContact O-CG 3.29Å; T107-M111 WeakPolarHBondContact O-CG 3.23Å; T107-M111 PolarHBondContact O-N 3.14Å; A108-M111 PolarHBondContact O-N 3.02Å; M111-E113 VanDerWaalsContact C-N 3.33Å; M111-E113 PolarHBondContact O-N 2.99Å; M111-A114 PolarHBondContact O-N 3.05Å; M111-A115 WeakPolarHBondContact O-CB 3.43Å; M111-A115 PolarHBondContact O-N 3.04Å
112K95.6Very high94.2Very high61 Ų6148.1 Ų48.127%0.26525%0.248SC..Hα-helixtrans-60.6-44.1176-177.7175.2174177.60111.1Y96 A108 E109 A114 A115 Q116 G240 D241Y96-K112 HydrophobicContact CD2-CB 3.96Å; Y96-K112 HydrophobicContact CE2-CB 3.66Å; Y96-K112 HydrophobicContact CE2-CD 4.25Å; Y96-K112 HydrophobicContact CE2-CG 3.83Å; A108-K112 VanDerWaalsContact O-CB 3.25Å; A108-K112 WeakPolarHBondContact O-CB 3.46Å; A108-K112 PolarHBondContact O-N 3.17Å; E109-K112 PolarHBondContact O-N 3.45Å; K112-A114 VanDerWaalsContact C-N 3.35Å; K112-A115 PolarHBondContact O-N 3.27Å; K112-Q116 WeakPolarHBondContact O-CG 3.37Å; K112-Q116 PolarHBondContact O-N 2.9Å; K112-Q116 VanDerWaalsContact O-N 3.08Å; K112-Q116 PolarHBondContact O-NE2 3.1Å; K112-G240 WeakPolarHBondContact CE-O 3.38Å; K112-D241 WeakPolarHBondContact CE-OD1 3.43Å; K112-D241 IonicContact NZ-OD1 2.84Å; K112-D241 PolarHBondContact NZ-OD1 3.41Å; K112-D241 IonicContact NZ-OD2 3.98Å; K112-D241 PolarHBondContact NZ-OD2 3.08Å
113E95Very high94.5Very high92 Ų9250 Ų5043%0.4326%0.264SS..Hα-helixtrans-59.9-44.8176-164.5-166.7154.400111.2F79 E109 E110 M111 A115 Q116F79-E113 WeakPolarHBondContact CD2-O 3.43Å; F79-E113 HydrophobicContact CE2-CB 4.46Å; F79-E113 HydrophobicContact CE2-CG 3.68Å; F79-E113 VanDerWaalsContact CE2-OE1 3.3Å; F79-E113 WeakPolarHBondContact CE2-OE1 3.43Å; F79-E113 HydrophobicContact CZ-CG 4.25Å; F79-E113 WeakPolarHBondContact CZ-OE1 3.04Å; E109-E113 WeakPolarHBondContact O-CB 3.34Å; E109-E113 PolarHBondContact O-N 3.41Å; E110-E113 PolarHBondContact O-N 2.91Å; M111-E113 VanDerWaalsContact C-N 3.33Å; M111-E113 PolarHBondContact O-N 2.99Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 3.48Å; E113-Q116 PolarHBondContact O-N 3.37Å
114A96Very high94.6Very high2 Ų243.7 Ų43.72%0.01723%0.231CC..Hα-helixtrans-69.6-29.9179.100000113.9F70 V73 Y74 F79 E110 M111 K112F70-A114 HydrophobicContact CD1-CB 4.27Å; F70-A114 WeakPolarHBondContact CE1-O 3.26Å; V73-A114 HydrophobicContact CG1-CB 4.47Å; Y74-A114 HydrophobicContact CD2-CB 4.33Å; F79-A114 HydrophobicContact CB-CB 4.45Å; F79-A114 WeakPolarHBondContact CB-O 3.45Å; F79-A114 HydrophobicContact CD1-CB 4.02Å; F79-A114 HydrophobicContact CE1-CB 4.45Å; F79-A114 HydrophobicContact CG-CB 4.13Å; E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 2.98Å; M111-A114 PolarHBondContact O-N 3.05Å; K112-A114 VanDerWaalsContact C-N 3.35Å
115A95.9Very high94.6Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-82.2-14.5176.700000112.9F70 W95 Y96 M111 K112 E113 Y117 H118 L238F70-A115 HydrophobicContact CD1-CB 4.23Å; F70-A115 HydrophobicContact CE1-CB 4.35Å; W95-A115 HydrophobicContact CZ2-CB 4.25Å; Y96-A115 HydrophobicContact CD1-CB 4.28Å; Y96-A115 HydrophobicContact CG-CB 4.2Å; M111-A115 WeakPolarHBondContact O-CB 3.43Å; M111-A115 PolarHBondContact O-N 3.04Å; K112-A115 PolarHBondContact O-N 3.27Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 3.48Å; A115-Y117 PolarHBondContact O-N 3.28Å; A115-H118 PolarHBondContact O-N 3.48Å; A115-H118 PolarHBondContact O-ND1 3.34Å; A115-L238 HydrophobicContact CB-CD2 3.95Å
116Q95.2Very high94.6Very high37 Ų3739.6 Ų39.617%0.17321%0.207CC..THydrogen-bonded Turntrans-56.1138.9-177.2-77.1-52.4-65.300112.3K112 E113 H118 G240K112-Q116 WeakPolarHBondContact O-CG 3.37Å; K112-Q116 PolarHBondContact O-N 2.9Å; K112-Q116 VanDerWaalsContact O-N 3.08Å; K112-Q116 PolarHBondContact O-NE2 3.1Å; E113-Q116 PolarHBondContact O-N 3.37Å; Q116-H118 PolarHBondContact O-N 3.29Å; Q116-G240 PolarHBondContact NE2-O 2.96Å
117Y95.8Very high94.2Very high66 Ų6639.7 Ų39.726%0.25921%0.207SC..THydrogen-bonded Turntrans65.88.8173.4-48.5-62.3000116.5A115 Q237 L238 Q239 Q263 V265A115-Y117 PolarHBondContact O-N 3.28Å; Y117-Q237 PolarHBondContact O-NE2 3.42Å; Y117-L238 WeakPolarHBondContact CA-O 3.36Å; Y117-L238 PolarHBondContact N-O 3.41Å; Y117-Q239 HydrophobicContact CD1-CG 4.35Å; Y117-Q239 HydrophobicContact CE1-CG 4.47Å; Y117-Q263 HydrophobicContact CD1-CB 3.74Å; Y117-Q263 WeakPolarHBondContact CD1-O 3.29Å; Y117-Q263 HydrophobicContact CE1-CB 3.49Å; Y117-Q263 VanDerWaalsContact CE1-CB 3.49Å; Y117-V265 HydrophobicContact CD2-CG2 3.63Å; Y117-V265 HydrophobicContact CE2-CG2 4.04Å
118H96.4Very high93.7Very high2 Ų241.9 Ų41.91%0.00921%0.213CC..  trans-65149.2167.280.1-82.2000110.5W85 W95 A115 Q116 T120 Q237 L238 Y243W85-H118 HydrophobicContact CB-CB 3.85Å; W85-H118 CarbonylContact O-C 3.58Å; W85-H118 WeakPolarHBondContact O-CA 3.48Å; W85-H118 WeakPolarHBondContact O-CB 3.37Å; W95-H118 AromaticContact NE1-CE1 3.97Å; A115-H118 PolarHBondContact O-N 3.48Å; A115-H118 PolarHBondContact O-ND1 3.34Å; Q116-H118 PolarHBondContact O-N 3.29Å; H118-T120 WeakPolarHBondContact NE2-CG2 3.39Å; H118-Q237 WeakPolarHBondContact O-CA 3.39Å; H118-Q237 WeakPolarHBondContact O-CG 3.23Å; H118-L238 PolarHBondContact O-N 3.42Å; H118-L238 VanDerWaalsContact O-N 3.15Å; H118-Y243 AromaticContact CE1-CE1 3.83Å; H118-Y243 AromaticContact CE1-CZ 3.73Å; H118-Y243 PolarHBondContact CE1-OH 3.25Å; H118-Y243 AromaticContact NE2-CE1 3.61Å; H118-Y243 AromaticContact NE2-CZ 3.67Å; H118-Y243 PolarHBondContact NE2-OH 3.46Å
119F97.3Very high93.4Very high7 Ų743.6 Ų43.63%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-93.5146.2172.7-67.4-87.9000110.4I84 W85 F86 L87 I235 E236 Q237 M246 W258 E262 F264I84-F119 HydrophobicContact CG2-CD2 3.74Å; I84-F119 HydrophobicContact CG2-CE2 3.87Å; W85-F119 PolarHBondContact O-N 3.47Å; F86-F119 CarbonylContact C-O 3.52Å; F86-F119 WeakPolarHBondContact CA-O 3.28Å; F86-F119 HydrophobicContact CD1-CB 3.52Å; F86-F119 HydrophobicContact CD1-CG 4.27Å; F86-F119 HydrophobicContact CE1-CB 3.58Å; F86-F119 HydrophobicContact CE1-CD2 4.01Å; F86-F119 AromaticContact CE1-CG 3.83Å; F86-F119 HydrophobicContact CE1-CG 3.83Å; F86-F119 HydrophobicContact CE2-CD2 4.49Å; F86-F119 HydrophobicContact CG-CB 4.26Å; F86-F119 HydrophobicContact CZ-CB 4.37Å; F86-F119 AromaticContact CZ-CD2 3.97Å; F86-F119 HydrophobicContact CZ-CD2 3.97Å; F86-F119 HydrophobicContact CZ-CG 4.27Å; L87-F119 PolarHBondContact N-O 2.93Å; F119-I235 HydrophobicContact CD1-CG2 4.29Å; F119-E236 CarbonylContact C-O 3.27Å; F119-E236 VanDerWaalsContact CA-O 3.23Å; F119-E236 WeakPolarHBondContact CA-O 3.46Å; F119-Q237 HydrophobicContact CD1-CB 4.07Å; F119-Q237 HydrophobicContact CD1-CG 4.2Å; F119-Q237 HydrophobicContact CE1-CB 4.09Å; F119-Q237 HydrophobicContact CE1-CG 4.1Å; F119-Q237 HydrophobicContact CZ-CG 4.35Å; F119-M246 HydrophobicContact CD1-CG 4.12Å; F119-M246 HydrophobicContact CE1-CG 3.9Å; F119-M246 HydrophobicContact CE1-SD 4.29Å; F119-W258 HydrophobicContact CD1-CH2 4.31Å; F119-W258 AromaticContact CE1-CH2 3.94Å; F119-W258 HydrophobicContact CE1-CH2 3.94Å; F119-W258 HydrophobicContact CE1-CZ2 4.06Å; F119-E262 HydrophobicContact CE1-CB 4.23Å; F119-E262 HydrophobicContact CZ-CB 4.02Å; F119-F264 HydrophobicContact CE2-CE1 4.08Å; F119-F264 HydrophobicContact CZ-CE1 4.22Å; F119-F264 HydrophobicContact CZ-CZ 4.28Å
120T96.8Very high93.1Very high3 Ų345 Ų452%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-118144.9170470000110.3L87 H118 I235 E236 Y243L87-T120 HydrophobicContact CB-CG2 4.36Å; L87-T120 VanDerWaalsContact O-CA 3.29Å; L87-T120 WeakPolarHBondContact O-CA 3.44Å; H118-T120 WeakPolarHBondContact NE2-CG2 3.39Å; T120-I235 WeakPolarHBondContact O-CA 3.37Å; T120-E236 PolarHBondContact N-O 2.68Å; T120-E236 PolarHBondContact O-N 2.97Å; T120-E236 WeakPolarHBondContact OG1-CB 3.24Å; T120-Y243 HydrophobicContact CG2-CD1 4.39Å; T120-Y243 HydrophobicContact CG2-CE1 3.56Å
121T95Very high93Very high55 Ų5545.8 Ų45.834%0.33723%0.232SC..EExtended strand (participates in β ladder)trans-124.5128171.660.70000109.6L87 G89 Q234 I235L87-T121 PolarHBondContact O-N 2.98Å; G89-T121 PolarHBondContact N-O 3.26Å; T121-Q234 WeakPolarHBondContact CA-O 3.49Å; T121-I235 HydrophobicContact CG2-CG1 4.33Å
122E92.1Very high92.9Very high51 Ų5149.6 Ų49.624%0.23826%0.257CS..EExtended strand (participates in β ladder)trans-145.3149.1177.4-165.9176.6-171.300111.6G89 W90 M125 T233 Q234G89-E122 VanDerWaalsContact C-OE2 3.24Å; W90-E122 WeakPolarHBondContact CA-OE1 3.37Å; W90-E122 PolarHBondContact N-OE2 3.47Å; E122-M125 HydrophobicContact CG-CE 4.11Å; E122-M125 WeakPolarHBondContact OE1-CE 3.49Å; E122-T233 CarbonylContact O-C 3.46Å; E122-T233 WeakPolarHBondContact O-CA 3.4Å; E122-Q234 PolarHBondContact N-O 2.89Å; E122-Q234 PolarHBondContact O-N 2.85Å
123A90.7Very high92.8Very high46 Ų4647.3 Ų47.338%0.3825%0.25SS..EExtended strand (participates in β ladder)trans-68.1137.3169.700000110.3M125A123-M125 PolarHBondContact O-N 3.31Å
124L90.3Very high92.9Very high17 Ų1745.6 Ų45.69%0.08925%0.246CC..  trans-68.2123.5179.7-174.669.7000111.2H126 Q128 L232 Q234L124-H126 WeakPolarHBondContact CD2-O 3.5Å; L124-H126 WeakPolarHBondContact CG-O 3.29Å; L124-Q128 VanDerWaalsContact CD1-NE2 3.29Å; L124-Q128 HydrophobicContact CD2-CG 3.77Å; L124-L232 HydrophobicContact CB-CB 4.34Å; L124-L232 WeakPolarHBondContact CB-O 3.45Å; L124-L232 HydrophobicContact CD2-CB 4.42Å; L124-L232 HydrophobicContact CD2-CD1 4.41Å; L124-L232 PolarHBondContact N-O 2.95Å; L124-Q234 VanDerWaalsContact CD1-OE1 3.23Å
125M90.1Very high92.8Very high30 Ų3046.9 Ų46.915%0.14826%0.255CS..  trans-84.8-27.8-179.5-55-58.5173.600112.8E122 A123 P161 E162 P164 L165 S218E122-M125 HydrophobicContact CG-CE 4.11Å; E122-M125 WeakPolarHBondContact OE1-CE 3.49Å; A123-M125 PolarHBondContact O-N 3.31Å; M125-P161 WeakPolarHBondContact CB-O 3.41Å; M125-E162 HydrophobicContact CE-CG 4.23Å; M125-E162 HydrophobicContact SD-CG 4.35Å; M125-P164 WeakPolarHBondContact O-CB 3.41Å; M125-L165 HydrophobicContact CE-CD1 4.32Å; M125-L165 HydrophobicContact SD-CD1 3.3Å; M125-L165 WeakPolarHBondContact SD-CD1 3.39Å; M125-L165 HydrophobicContact SD-CG 3.84Å; M125-S218 WeakPolarHBondContact O-CA 3.38Å; M125-S218 VanDerWaalsContact O-CB 3.31Å; M125-S218 WeakPolarHBondContact O-CB 3.36Å
126H89.7Confident92.8Very high58 Ų5849.4 Ų49.427%0.26928%0.281SS..SBendtrans-119.2137.5-174.2-70.6-79.7000111.8L124 Q128 S139 V143 P164L124-H126 WeakPolarHBondContact CD2-O 3.5Å; L124-H126 WeakPolarHBondContact CG-O 3.29Å; H126-Q128 PolarHBondContact O-N 3.3Å; H126-Q128 PolarHBondContact O-NE2 2.99Å; H126-S139 WeakPolarHBondContact CB-OG 3.29Å; H126-S139 PolarHBondContact ND1-OG 3.24Å; H126-V143 VanDerWaalsContact CE1-CG2 3.44Å; H126-V143 WeakPolarHBondContact CE1-CG2 3.48Å; H126-P164 WeakPolarHBondContact CE1-CG 3.43Å
127S88.3Confident92.9Very high15 Ų1548.8 Ų48.811%0.10528%0.278CS..  trans-57.6137.2167.6-172.30000111.2R215 V217S127-R215 PolarHBondContact OG-NH2 3.47Å; S127-V217 PolarHBondContact N-O 3.02Å; S127-V217 VanDerWaalsContact N-O 3.15Å
128Q84.5Confident92.9Very high116 Ų11646.6 Ų46.654%0.54227%0.271SS..SBendtrans-79.5-17.8179.1-66.9-54.6-66.300113.9L124 H126 Y248L124-Q128 VanDerWaalsContact CD1-NE2 3.29Å; L124-Q128 HydrophobicContact CD2-CG 3.77Å; H126-Q128 PolarHBondContact O-N 3.3Å; H126-Q128 PolarHBondContact O-NE2 2.99Å; Q128-Y248 PolarHBondContact OE1-OH 3.46Å
129D87.2Confident92.8Very high69 Ų6946.9 Ų46.937%0.36927%0.274SS..SBendtrans-108.9164.6-178.86854.6000112.2T131 R215D129-T131 VanDerWaalsContact C-N 3.26Å; D129-T131 PolarHBondContact O-N 3.23Å; D129-T131 VanDerWaalsContact OD1-CB 3.31Å; D129-T131 WeakPolarHBondContact OD1-CB 3.35Å; D129-T131 PolarHBondContact OD1-N 3.09Å; D129-T131 PolarHBondContact OD1-OG1 2.97Å; D129-R215 IonicContact OD1-CZ 2.98Å; D129-R215 IonicContact OD1-NE 2.86Å; D129-R215 IonicContact OD1-NH2 3.82Å; D129-R215 PolarHBondContact OD1-NH2 2.9Å; D129-R215 IonicContact OD2-CZ 2.64Å; D129-R215 IonicContact OD2-NH1 3.16Å; D129-R215 IonicContact OD2-NH2 3.6Å; D129-R215 PolarHBondContact OD2-NH2 3.45Å
130E90.6Very high92.6Very high167 Ų16750 Ų5078%0.7830%0.3SS*.  trans-86.36.9-177.5-61.1-174.9165.400113.2P132 N138E130-P132 WeakPolarHBondContact O-CD 3.47Å; E130-N138 WeakPolarHBondContact O-CB 3.25Å; E130-N138 PolarHBondContact O-ND2 3.49Å; E130-N138 VanDerWaalsContact O-ND2 3.11Å
131T93.3Very high92.5Very high68 Ų6854.1 Ų54.142%0.41732%0.319SS..  trans-71.8128-176.464.70000110.6D129 R215D129-T131 VanDerWaalsContact C-N 3.26Å; D129-T131 PolarHBondContact O-N 3.23Å; D129-T131 VanDerWaalsContact OD1-CB 3.31Å; D129-T131 WeakPolarHBondContact OD1-CB 3.35Å; D129-T131 PolarHBondContact OD1-N 3.09Å; D129-T131 PolarHBondContact OD1-OG1 2.97Å; T131-R215 PolarHBondContact OG1-NE 2.92Å; T131-R215 PolarHBondContact OG1-NH2 3.07Å
132P95Very high92.6Very high80 Ų8052.1 Ų52.152%0.51931%0.306SS..  trans-64139.2178.2-24.635000112.6E130E130-P132 WeakPolarHBondContact O-CD 3.47Å
133G94.2Very high92.6Very high12 Ų1251.7 Ų51.712%0.12431%0.307CS..  trans-84.4-167.8172.500000113.2S135 G136 M137 R215G133-S135 PolarHBondContact O-N 3.37Å; G133-S135 VanDerWaalsContact O-N 3.11Å; G133-G136 PolarHBondContact O-N 2.87Å; G133-M137 PolarHBondContact N-O 3.05Å; G133-R215 CarbonylContact C-O 3.31Å; G133-R215 WeakPolarHBondContact CA-O 3.29Å
134V95.8Very high92.8Very high56 Ų5656.9 Ų56.934%0.33932%0.321SS..THydrogen-bonded Turntrans-55.4-29.5177.567.40000113.4G136 W171 F175 F214 R215V134-G136 PolarHBondContact O-N 2.87Å; V134-W171 HydrophobicContact CG1-CB 4.32Å; V134-W171 HydrophobicContact CG1-CD2 3.53Å; V134-W171 HydrophobicContact CG1-CE3 3.8Å; V134-W171 HydrophobicContact CG1-CG 3.77Å; V134-W171 HydrophobicContact CG1-CZ2 4.38Å; V134-W171 HydrophobicContact CG1-CZ3 4.33Å; V134-W171 HydrophobicContact CG2-CE3 3.99Å; V134-W171 HydrophobicContact CG2-CH2 4.33Å; V134-W171 HydrophobicContact CG2-CZ3 3.88Å; V134-F175 HydrophobicContact CB-CE2 4.33Å; V134-F175 HydrophobicContact CB-CZ 4.36Å; V134-F175 HydrophobicContact CG1-CE2 4.29Å; V134-F175 HydrophobicContact CG2-CE2 3.77Å; V134-F175 HydrophobicContact CG2-CZ 3.46Å; V134-F175 VanDerWaalsContact CG2-CZ 3.46Å; V134-F214 HydrophobicContact CB-CD2 4.19Å; V134-F214 HydrophobicContact CG1-CD2 3.63Å; V134-F214 HydrophobicContact CG1-CE2 3.95Å; V134-R215 PolarHBondContact N-O 3.41Å
135S95.2Very high93Very high29 Ų2962.1 Ų62.120%0.20334%0.339CS..THydrogen-bonded Turntrans-73.6-7.3177.762.90000113.5G133 M137G133-S135 PolarHBondContact O-N 3.37Å; G133-S135 VanDerWaalsContact O-N 3.11Å; S135-M137 PolarHBondContact O-N 2.8Å; S135-M137 PolarHBondContact OG-N 3.08Å
136G95.9Very high93.2Very high54 Ų5462.2 Ų62.256%0.55734%0.34SS*.SBendtrans75.14.9-169.700000113.8G133 V134G133-G136 PolarHBondContact O-N 2.87Å; V134-G136 PolarHBondContact O-N 2.87Å
137M96.1Very high93.3Very high23 Ų2362.1 Ų62.111%0.11335%0.346CS..  trans-113146.2177.6-62.3178.2-64.400110.8G133 S135 E141 Y167G133-M137 PolarHBondContact N-O 3.05Å; S135-M137 PolarHBondContact O-N 2.8Å; S135-M137 PolarHBondContact OG-N 3.08Å; M137-E141 VanDerWaalsContact CA-OE2 3.25Å; M137-E141 WeakPolarHBondContact CA-OE2 3.39Å; M137-E141 HydrophobicContact CB-CB 4.02Å; M137-E141 HydrophobicContact CG-CB 4.34Å; M137-Y167 HydrophobicContact CE-CE1 4.34Å; M137-Y167 WeakPolarHBondContact CE-OH 3.48Å
138N95.5Very high93.5Very high21 Ų2166.6 Ų66.611%0.11237%0.373CS..  trans-85.8179161.770.529.5000111.5E130 A140 E141 F142E130-N138 WeakPolarHBondContact O-CB 3.25Å; E130-N138 PolarHBondContact O-ND2 3.49Å; E130-N138 VanDerWaalsContact O-ND2 3.11Å; N138-A140 PolarHBondContact O-N 3.46Å; N138-A140 PolarHBondContact OD1-N 2.93Å; N138-A140 VanDerWaalsContact OD1-N 3.13Å; N138-E141 PolarHBondContact N-OE2 2.85Å; N138-E141 PolarHBondContact O-N 3.39Å; N138-E141 WeakPolarHBondContact OD1-CG 3.48Å; N138-E141 PolarHBondContact OD1-N 2.9Å; N138-F142 PolarHBondContact O-N 3.41Å
139S94.1Very high93.9Very high8 Ų866.7 Ų66.76%0.05638%0.375CS..Hα-helixtrans-63.3-39.4-176-147.10000113H126 F142 V143 V217H126-S139 WeakPolarHBondContact CB-OG 3.29Å; H126-S139 PolarHBondContact ND1-OG 3.24Å; S139-F142 WeakPolarHBondContact O-CB 3.33Å; S139-F142 PolarHBondContact O-N 2.7Å; S139-V143 WeakPolarHBondContact O-CG2 3.41Å; S139-V143 PolarHBondContact O-N 2.95Å; S139-V217 VanDerWaalsContact CB-O 3.26Å; S139-V217 WeakPolarHBondContact CB-O 3.5Å; S139-V217 PolarHBondContact OG-O 3.33Å
140A93.9Very high94.1Very high71 Ų7165.8 Ų65.859%0.58737%0.37SS*.Hα-helixtrans-68.2-40.6179.900000112.2N138 V143 K144N138-A140 PolarHBondContact O-N 3.46Å; N138-A140 PolarHBondContact OD1-N 2.93Å; N138-A140 VanDerWaalsContact OD1-N 3.13Å; A140-V143 PolarHBondContact O-N 3.42Å; A140-K144 WeakPolarHBondContact O-CB 3.18Å; A140-K144 PolarHBondContact O-N 3.3Å
141E95.7Very high93.9Very high90 Ų9067.2 Ų67.242%0.42138%0.376SS..Hα-helixtrans-64.7-40.3174.9-71172.4148.700111.8M137 N138 K144 R145M137-E141 VanDerWaalsContact CA-OE2 3.25Å; M137-E141 WeakPolarHBondContact CA-OE2 3.39Å; M137-E141 HydrophobicContact CB-CB 4.02Å; M137-E141 HydrophobicContact CG-CB 4.34Å; N138-E141 PolarHBondContact N-OE2 2.85Å; N138-E141 PolarHBondContact O-N 3.39Å; N138-E141 WeakPolarHBondContact OD1-CG 3.48Å; N138-E141 PolarHBondContact OD1-N 2.9Å; E141-K144 PolarHBondContact O-N 2.92Å; E141-R145 WeakPolarHBondContact O-CB 3.3Å; E141-R145 PolarHBondContact O-N 3.25Å
142F95.6Very high93.5Very high13 Ų1370.9 Ų70.96%0.05739%0.386CS..Hα-helixtrans-59.2-50.4172.7168.7-97.4000111.6N138 S139 K144 R145 L146 A163 P164 Y167 V217N138-F142 PolarHBondContact O-N 3.41Å; S139-F142 WeakPolarHBondContact O-CB 3.33Å; S139-F142 PolarHBondContact O-N 2.7Å; F142-K144 VanDerWaalsContact C-N 3.35Å; F142-K144 PolarHBondContact O-N 3.19Å; F142-R145 PolarHBondContact O-N 2.97Å; F142-L146 HydrophobicContact CE1-CD2 4.06Å; F142-L146 HydrophobicContact CZ-CD2 3.97Å; F142-L146 WeakPolarHBondContact O-CB 3.38Å; F142-L146 PolarHBondContact O-N 2.99Å; F142-A163 HydrophobicContact CE1-CB 4.31Å; F142-A163 HydrophobicContact CZ-CB 4.21Å; F142-P164 HydrophobicContact CD1-CG 4.22Å; F142-P164 HydrophobicContact CE1-CB 4.19Å; F142-P164 HydrophobicContact CE1-CG 3.8Å; F142-Y167 HydrophobicContact CD2-CD1 4.17Å; F142-Y167 HydrophobicContact CD2-CD2 4.23Å; F142-Y167 HydrophobicContact CD2-CE1 4.42Å; F142-Y167 HydrophobicContact CD2-CE2 4.5Å; F142-Y167 HydrophobicContact CD2-CG 4.06Å; F142-Y167 HydrophobicContact CE2-CD1 4.04Å; F142-Y167 AromaticContact CE2-CD2 3.56Å; F142-Y167 HydrophobicContact CE2-CD2 3.56Å; F142-Y167 HydrophobicContact CE2-CE2 4.19Å; F142-Y167 AromaticContact CE2-CG 3.47Å; F142-Y167 HydrophobicContact CE2-CG 3.47Å; F142-Y167 VanDerWaalsContact CE2-CG 3.47Å; F142-Y167 HydrophobicContact CZ-CD2 4.49Å; F142-Y167 HydrophobicContact CZ-CG 4.22Å; F142-V217 HydrophobicContact CB-CB 4.04Å; F142-V217 HydrophobicContact CB-CG1 3.81Å; F142-V217 HydrophobicContact CB-CG2 4.39Å; F142-V217 HydrophobicContact CD1-CG2 4.18Å; F142-V217 HydrophobicContact CD2-CG1 4.42Å; F142-V217 HydrophobicContact CD2-CG2 4.15Å; F142-V217 HydrophobicContact CG-CB 4.16Å; F142-V217 HydrophobicContact CG-CG1 4.2Å; F142-V217 HydrophobicContact CG-CG2 3.96Å
143V93.4Very high93Very high42 Ų4271 Ų7126%0.25539%0.387SS..Hα-helixtrans-58.8-47.6178170.10000110.4H126 S139 A140 R145 L146 S147 F160H126-V143 VanDerWaalsContact CE1-CG2 3.44Å; H126-V143 WeakPolarHBondContact CE1-CG2 3.48Å; S139-V143 WeakPolarHBondContact O-CG2 3.41Å; S139-V143 PolarHBondContact O-N 2.95Å; A140-V143 PolarHBondContact O-N 3.42Å; V143-R145 PolarHBondContact O-N 3.31Å; V143-L146 PolarHBondContact O-N 3.23Å; V143-S147 WeakPolarHBondContact O-CB 3.38Å; V143-S147 PolarHBondContact O-N 3.05Å; V143-S147 PolarHBondContact O-OG 3.3Å; V143-F160 HydrophobicContact CG1-CZ 4.2Å
144K94Very high92.3Very high155 Ų15572.4 Ų72.467%0.67440%0.398SS*.Hα-helixtrans-57.5-47.9177.4-177.2179.9178.6-178.50111.8A140 E141 F142 S147 T148A140-K144 WeakPolarHBondContact O-CB 3.18Å; A140-K144 PolarHBondContact O-N 3.3Å; E141-K144 PolarHBondContact O-N 2.92Å; F142-K144 VanDerWaalsContact C-N 3.35Å; F142-K144 PolarHBondContact O-N 3.19Å; K144-S147 PolarHBondContact O-N 3.37Å; K144-T148 WeakPolarHBondContact O-CG2 3.46Å; K144-T148 PolarHBondContact O-N 2.92Å; K144-T148 VanDerWaalsContact O-N 3.13Å
145R95Very high91.4Very high128 Ų12876.6 Ų76.648%0.48342%0.418SS..Hα-helixtrans-61.1-47.3177.6-178.6-177.6172.9-177.7-0.7110.8E141 F142 V143 T148 M149E141-R145 WeakPolarHBondContact O-CB 3.3Å; E141-R145 PolarHBondContact O-N 3.25Å; F142-R145 PolarHBondContact O-N 2.97Å; V143-R145 PolarHBondContact O-N 3.31Å; R145-T148 PolarHBondContact O-N 2.86Å; R145-T148 PolarHBondContact O-OG1 3.47Å; R145-M149 HydrophobicContact CG-CE 4.03Å; R145-M149 PolarHBondContact O-N 2.95Å
146L94.1Very high90.7Very high31 Ų3179.5 Ų79.516%0.16244%0.435CS..Hα-helixtrans-62-47.2179.7-176.960.2000111.5F142 V143 T148 M149 I150 F160 A163F142-L146 HydrophobicContact CE1-CD2 4.06Å; F142-L146 HydrophobicContact CZ-CD2 3.97Å; F142-L146 WeakPolarHBondContact O-CB 3.38Å; F142-L146 PolarHBondContact O-N 2.99Å; V143-L146 PolarHBondContact O-N 3.23Å; L146-T148 PolarHBondContact O-N 2.91Å; L146-M149 HydrophobicContact CD1-CE 4.27Å; L146-M149 PolarHBondContact O-N 3.01Å; L146-I150 HydrophobicContact CD1-CD1 3.69Å; L146-I150 HydrophobicContact CD1-CG1 4.07Å; L146-I150 HydrophobicContact CD2-CD1 4.2Å; L146-I150 HydrophobicContact CG-CD1 3.58Å; L146-I150 HydrophobicContact CG-CG1 4.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.47Å; L146-I150 PolarHBondContact O-N 2.92Å; L146-I150 VanDerWaalsContact O-N 3.15Å; L146-F160 HydrophobicContact CD2-CD2 4.02Å; L146-F160 HydrophobicContact CD2-CE2 3.79Å; L146-F160 HydrophobicContact CG-CE2 4.02Å; L146-A163 HydrophobicContact CD2-CB 3.6Å
147S92.4Very high90.1Very high56 Ų5678.4 Ų78.439%0.39242%0.417SS..Hα-helixtrans-60-29.9177.5-63.50000113.2V143 K144 M149V143-S147 WeakPolarHBondContact O-CB 3.38Å; V143-S147 PolarHBondContact O-N 3.05Å; V143-S147 PolarHBondContact O-OG 3.3Å; K144-S147 PolarHBondContact O-N 3.37Å; S147-M149 VanDerWaalsContact C-N 3.31Å
148T92.8Very high89.5Confident110 Ų11081.1 Ų81.168%0.67545%0.451SS*.Hα-helixtrans-73.9-20.9175.166.30000113.8K144 R145 L146K144-T148 WeakPolarHBondContact O-CG2 3.46Å; K144-T148 PolarHBondContact O-N 2.92Å; K144-T148 VanDerWaalsContact O-N 3.13Å; R145-T148 PolarHBondContact O-N 2.86Å; R145-T148 PolarHBondContact O-OG1 3.47Å; L146-T148 PolarHBondContact O-N 2.91Å
149M91.9Very high89.1Confident118 Ų11882.1 Ų82.158%0.58147%0.466SS*.Hα-helixtrans-94.9-21.9-178.7-65.1-175.6-6300112.8R145 L146 S147R145-M149 HydrophobicContact CG-CE 4.03Å; R145-M149 PolarHBondContact O-N 2.95Å; L146-M149 HydrophobicContact CD1-CE 4.27Å; L146-M149 PolarHBondContact O-N 3.01Å; S147-M149 VanDerWaalsContact C-N 3.31Å
150I90.4Very high89Confident50 Ų5083.1 Ų83.126%0.25647%0.469SS..  trans-90.4131.4-178.5-59.4170.9000109.8L146 K152 T157 F160L146-I150 HydrophobicContact CD1-CD1 3.69Å; L146-I150 HydrophobicContact CD1-CG1 4.07Å; L146-I150 HydrophobicContact CD2-CD1 4.2Å; L146-I150 HydrophobicContact CG-CD1 3.58Å; L146-I150 HydrophobicContact CG-CG1 4.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.47Å; L146-I150 PolarHBondContact O-N 2.92Å; L146-I150 VanDerWaalsContact O-N 3.15Å; I150-K152 HydrophobicContact CG2-CB 4.26Å; I150-K152 VanDerWaalsContact CG2-O 3.27Å; I150-K152 WeakPolarHBondContact CG2-O 3.24Å; I150-T157 HydrophobicContact CD1-CG2 4.33Å; I150-T157 HydrophobicContact CG2-CG2 4.24Å; I150-F160 HydrophobicContact CD1-CD2 3.7Å; I150-F160 HydrophobicContact CD1-CE2 3.85Å
151Q86.7Confident88.7Confident197 Ų19783 Ų8392%0.92146%0.463SS*.SBendtrans-79.2-31.8177.6-64.5176.3-3.500113
152K86.2Confident88.5Confident144 Ų14482.4 Ų82.463%0.62646%0.46SS*.SBendtrans-82.3147.2178.5-69.2-175.2-178.9-178.10110.7I150 V156 T157I150-K152 HydrophobicContact CG2-CB 4.26Å; I150-K152 VanDerWaalsContact CG2-O 3.27Å; I150-K152 WeakPolarHBondContact CG2-O 3.24Å; K152-V156 HydrophobicContact CB-CG2 4.14Å; K152-T157 WeakPolarHBondContact CB-OG1 3.22Å
153P83Confident88.4Confident82 Ų8282.6 Ų82.653%0.53246%0.464SS..  trans-54.4146169.8-25.134000112N155 V156 T157P153-N155 VanDerWaalsContact C-N 3.29Å; P153-N155 WeakPolarHBondContact CB-OD1 3.14Å; P153-N155 PolarHBondContact O-N 3.32Å; P153-V156 HydrophobicContact CB-CG2 4.04Å; P153-V156 HydrophobicContact CG-CG2 4.2Å; P153-V156 VanDerWaalsContact O-CG2 3.32Å; P153-V156 WeakPolarHBondContact O-CG2 3.34Å; P153-V156 PolarHBondContact O-N 3.23Å; P153-T157 PolarHBondContact O-N 3.22Å; P153-T157 PolarHBondContact O-OG1 2.71Å
154A80.2Confident88.5Confident42 Ų4280.6 Ų80.635%0.34745%0.452SS..G310 helixtrans-57.5-40.5-177.300000112.6V156 T157 F160A154-V156 VanDerWaalsContact C-N 3.28Å; A154-V156 PolarHBondContact O-N 2.97Å; A154-T157 PolarHBondContact O-N 3.45Å; A154-F160 HydrophobicContact CB-CD1 3.88Å; A154-F160 HydrophobicContact CB-CD2 4.18Å; A154-F160 HydrophobicContact CB-CE1 3.66Å; A154-F160 HydrophobicContact CB-CE2 3.96Å; A154-F160 HydrophobicContact CB-CG 4.14Å; A154-F160 HydrophobicContact CB-CZ 3.7Å
155N76.4Confident88.5Confident145 Ų14575.6 Ų75.678%0.77543%0.432SS*.G310 helixtrans-66.2-21.5-179.265-24.9000114.8P153P153-N155 VanDerWaalsContact C-N 3.29Å; P153-N155 WeakPolarHBondContact CB-OD1 3.14Å; P153-N155 PolarHBondContact O-N 3.32Å
156V80.5Confident88.5Confident90 Ų9072.5 Ų72.555%0.54543%0.434SS..G310 helixtrans-105.30.5176.9-57.60000112.7K152 P153 A154 G158K152-V156 HydrophobicContact CB-CG2 4.14Å; P153-V156 HydrophobicContact CB-CG2 4.04Å; P153-V156 HydrophobicContact CG-CG2 4.2Å; P153-V156 VanDerWaalsContact O-CG2 3.32Å; P153-V156 WeakPolarHBondContact O-CG2 3.34Å; P153-V156 PolarHBondContact O-N 3.23Å; A154-V156 VanDerWaalsContact C-N 3.28Å; A154-V156 PolarHBondContact O-N 2.97Å; V156-G158 PolarHBondContact O-N 3.08Å
157T84.8Confident88.5Confident31 Ų3174 Ų7419%0.1944%0.438CS..SBendtrans-92.1103.3-179.7-58.70000108.9I150 K152 P153 A154 G159 F160I150-T157 HydrophobicContact CD1-CG2 4.33Å; I150-T157 HydrophobicContact CG2-CG2 4.24Å; K152-T157 WeakPolarHBondContact CB-OG1 3.22Å; P153-T157 PolarHBondContact O-N 3.22Å; P153-T157 PolarHBondContact O-OG1 2.71Å; A154-T157 PolarHBondContact O-N 3.45Å; T157-G159 PolarHBondContact O-N 2.91Å; T157-F160 HydrophobicContact CG2-CB 4.36Å; T157-F160 WeakPolarHBondContact O-CB 3Å; T157-F160 PolarHBondContact O-N 3.13Å; T157-F160 VanDerWaalsContact O-N 3.14Å
158G83.7Confident88.7Confident79 Ų7971.4 Ų71.481%0.81442%0.42SS*.THydrogen-bonded Turntrans-57.8136.5177.400000111.8V156 F160V156-G158 PolarHBondContact O-N 3.08Å; G158-F160 VanDerWaalsContact C-N 3.27Å; G158-F160 PolarHBondContact O-N 3.45Å
159G87.1Confident88.9Confident42 Ų4268.7 Ų68.743%0.43341%0.409SS..THydrogen-bonded Turntrans79.52.5-177.700000114.7T157 E162 A163T157-G159 PolarHBondContact O-N 2.91Å; G159-E162 WeakPolarHBondContact CA-OE2 3.36Å; G159-E162 PolarHBondContact O-N 3.33Å; G159-A163 PolarHBondContact O-N 3.03Å
160F90.3Very high89.1Confident29 Ų2969 Ų6913%0.12741%0.411CS..SBendtrans-62.7-44.7177.3-174.1-86.4000112.7V143 L146 I150 A154 T157 G158 E162 A163V143-F160 HydrophobicContact CG1-CZ 4.2Å; L146-F160 HydrophobicContact CD2-CD2 4.02Å; L146-F160 HydrophobicContact CD2-CE2 3.79Å; L146-F160 HydrophobicContact CG-CE2 4.02Å; I150-F160 HydrophobicContact CD1-CD2 3.7Å; I150-F160 HydrophobicContact CD1-CE2 3.85Å; A154-F160 HydrophobicContact CB-CD1 3.88Å; A154-F160 HydrophobicContact CB-CD2 4.18Å; A154-F160 HydrophobicContact CB-CE1 3.66Å; A154-F160 HydrophobicContact CB-CE2 3.96Å; A154-F160 HydrophobicContact CB-CG 4.14Å; A154-F160 HydrophobicContact CB-CZ 3.7Å; T157-F160 HydrophobicContact CG2-CB 4.36Å; T157-F160 WeakPolarHBondContact O-CB 3Å; T157-F160 PolarHBondContact O-N 3.13Å; T157-F160 VanDerWaalsContact O-N 3.14Å; G158-F160 VanDerWaalsContact C-N 3.27Å; G158-F160 PolarHBondContact O-N 3.45Å; F160-E162 VanDerWaalsContact C-N 3.28Å; F160-E162 PolarHBondContact O-N 3.43Å; F160-A163 WeakPolarHBondContact O-CB 3.2Å; F160-A163 PolarHBondContact O-N 2.88Å
161P88.6Confident89.5Confident70 Ų7070.3 Ų70.346%0.45541%0.413SS..THydrogen-bonded Turntrans-59-37.6176.2-24.135.2000113.2M125 P164M125-P161 WeakPolarHBondContact CB-O 3.41Å; P161-P164 VanDerWaalsContact O-CD 3.28Å; P161-P164 WeakPolarHBondContact O-CD 3.43Å
162E90.9Very high90Very high76 Ų7661 Ų6136%0.35537%0.369SS..THydrogen-bonded Turntrans-88.4-2-178.1-53.387.8159.400113.3M125 G159 F160 P164 L165 A166M125-E162 HydrophobicContact CE-CG 4.23Å; M125-E162 HydrophobicContact SD-CG 4.35Å; G159-E162 WeakPolarHBondContact CA-OE2 3.36Å; G159-E162 PolarHBondContact O-N 3.33Å; F160-E162 VanDerWaalsContact C-N 3.28Å; F160-E162 PolarHBondContact O-N 3.43Å; E162-P164 VanDerWaalsContact C-N 3.35Å; E162-L165 WeakPolarHBondContact O-CB 3.44Å; E162-L165 PolarHBondContact O-N 3.36Å; E162-A166 PolarHBondContact O-N 3.36Å; E162-A166 VanDerWaalsContact O-N 3.17Å
163A94.1Very high90.5Very high18 Ų1856.1 Ų56.115%0.14936%0.356CS..Hα-helixtrans-56-37.3-179.300000114.3F142 L146 G159 F160 L165 A166 Y167F142-A163 HydrophobicContact CE1-CB 4.31Å; F142-A163 HydrophobicContact CZ-CB 4.21Å; L146-A163 HydrophobicContact CD2-CB 3.6Å; G159-A163 PolarHBondContact O-N 3.03Å; F160-A163 WeakPolarHBondContact O-CB 3.2Å; F160-A163 PolarHBondContact O-N 2.88Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 3.49Å; A163-A166 PolarHBondContact O-N 2.97Å; A163-Y167 WeakPolarHBondContact O-CB 3.33Å; A163-Y167 PolarHBondContact O-N 2.72Å
164P94.4Very high91.1Very high0 Ų054.4 Ų54.40%035%0.349CS..Hα-helixtrans-58.5-40.5173.1-24.134000113M125 H126 F142 P161 E162 Y167 D168 V217M125-P164 WeakPolarHBondContact O-CB 3.41Å; H126-P164 WeakPolarHBondContact CE1-CG 3.43Å; F142-P164 HydrophobicContact CD1-CG 4.22Å; F142-P164 HydrophobicContact CE1-CB 4.19Å; F142-P164 HydrophobicContact CE1-CG 3.8Å; P161-P164 VanDerWaalsContact O-CD 3.28Å; P161-P164 WeakPolarHBondContact O-CD 3.43Å; E162-P164 VanDerWaalsContact C-N 3.35Å; P164-Y167 PolarHBondContact O-N 3.37Å; P164-D168 PolarHBondContact O-N 3.01Å; P164-V217 HydrophobicContact CB-CG2 3.99Å
165L94.2Very high91.9Very high49 Ų4955.8 Ų55.826%0.25735%0.347SS..Hα-helixtrans-66-43.5177.7-63.6-176.3000111.2M125 E162 A163 Y167 D168 A169M125-L165 HydrophobicContact CE-CD1 4.32Å; M125-L165 HydrophobicContact SD-CD1 3.3Å; M125-L165 WeakPolarHBondContact SD-CD1 3.39Å; M125-L165 HydrophobicContact SD-CG 3.84Å; E162-L165 WeakPolarHBondContact O-CB 3.44Å; E162-L165 PolarHBondContact O-N 3.36Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 3.49Å; L165-Y167 VanDerWaalsContact C-N 3.32Å; L165-Y167 PolarHBondContact O-N 2.95Å; L165-D168 PolarHBondContact O-N 2.8Å; L165-A169 WeakPolarHBondContact O-CB 3.28Å; L165-A169 PolarHBondContact O-N 3.45Å
166A94.9Very high92.9Very high63 Ų6349.3 Ų49.352%0.52131%0.314SS..Hα-helixtrans-63-40176.700000111.7E162 A163 A169 I170E162-A166 PolarHBondContact O-N 3.36Å; E162-A166 VanDerWaalsContact O-N 3.17Å; A163-A166 PolarHBondContact O-N 2.97Å; A166-A169 PolarHBondContact O-N 3.25Å; A166-I170 PolarHBondContact O-N 3.37Å
167Y96.1Very high93.5Very high64 Ų6448.6 Ų48.625%0.25131%0.306SS..Hα-helixtrans-63.2-46.9176.7-173-97.5000111.8M137 F142 A163 P164 L165 A169 I170 W171 V217M137-Y167 HydrophobicContact CE-CE1 4.34Å; M137-Y167 WeakPolarHBondContact CE-OH 3.48Å; F142-Y167 HydrophobicContact CD2-CD1 4.17Å; F142-Y167 HydrophobicContact CD2-CD2 4.23Å; F142-Y167 HydrophobicContact CD2-CE1 4.42Å; F142-Y167 HydrophobicContact CD2-CE2 4.5Å; F142-Y167 HydrophobicContact CD2-CG 4.06Å; F142-Y167 HydrophobicContact CE2-CD1 4.04Å; F142-Y167 AromaticContact CE2-CD2 3.56Å; F142-Y167 HydrophobicContact CE2-CD2 3.56Å; F142-Y167 HydrophobicContact CE2-CE2 4.19Å; F142-Y167 AromaticContact CE2-CG 3.47Å; F142-Y167 HydrophobicContact CE2-CG 3.47Å; F142-Y167 VanDerWaalsContact CE2-CG 3.47Å; F142-Y167 HydrophobicContact CZ-CD2 4.49Å; F142-Y167 HydrophobicContact CZ-CG 4.22Å; A163-Y167 WeakPolarHBondContact O-CB 3.33Å; A163-Y167 PolarHBondContact O-N 2.72Å; P164-Y167 PolarHBondContact O-N 3.37Å; L165-Y167 VanDerWaalsContact C-N 3.32Å; L165-Y167 PolarHBondContact O-N 2.95Å; Y167-A169 VanDerWaalsContact C-N 3.33Å; Y167-A169 PolarHBondContact O-N 3.35Å; Y167-I170 PolarHBondContact O-N 3.29Å; Y167-W171 AromaticContact CD1-CD1 3.83Å; Y167-W171 AromaticContact CD1-NE1 3.98Å; Y167-W171 AromaticContact CE1-CD1 3.56Å; Y167-W171 AromaticContact CE1-NE1 3.22Å; Y167-W171 AromaticContact CZ-NE1 3.54Å; Y167-W171 PolarHBondContact O-N 3.36Å; Y167-V217 HydrophobicContact CD1-CG1 4.4Å; Y167-V217 HydrophobicContact CD1-CG2 3.79Å; Y167-V217 HydrophobicContact CE1-CG1 4.37Å; Y167-V217 HydrophobicContact CG-CG2 4.47Å
168D96.3Very high94.1Very high0 Ų051.6 Ų51.60%032%0.321CS..Hα-helixtrans-71.2-27.4178-72.3-20.1000112.5P164 L165 I170 W171 A172 F214 G216 V217 S218 V221P164-D168 PolarHBondContact O-N 3.01Å; L165-D168 PolarHBondContact O-N 2.8Å; D168-I170 VanDerWaalsContact C-N 3.28Å; D168-I170 PolarHBondContact O-N 3.35Å; D168-W171 WeakPolarHBondContact O-CB 3.47Å; D168-W171 PolarHBondContact O-N 3.41Å; D168-A172 WeakPolarHBondContact O-CB 3.03Å; D168-A172 PolarHBondContact O-N 3.02Å; D168-F214 HydrophobicContact CB-CE2 4.47Å; D168-F214 HydrophobicContact CB-CZ 4.4Å; D168-F214 WeakPolarHBondContact O-CZ 3.34Å; D168-G216 VanDerWaalsContact OD1-CA 3.3Å; D168-G216 WeakPolarHBondContact OD1-CA 3.37Å; D168-G216 WeakPolarHBondContact OD2-CA 3.47Å; D168-V217 PolarHBondContact OD1-N 2.82Å; D168-V217 VanDerWaalsContact OD1-N 3.12Å; D168-V217 PolarHBondContact OD2-N 3.36Å; D168-S218 VanDerWaalsContact OD2-CB 3.25Å; D168-S218 WeakPolarHBondContact OD2-CB 3.43Å; D168-S218 PolarHBondContact OD2-N 2.86Å; D168-S218 PolarHBondContact OD2-OG 2.9Å; D168-V221 HydrophobicContact CB-CG2 3.8Å
169A96Very high94.7Very high54 Ų5449.5 Ų49.545%0.44629%0.294SS..Hα-helixtrans-61.1-37.117300000112.1L165 A166 Y167 A172 A173L165-A169 WeakPolarHBondContact O-CB 3.28Å; L165-A169 PolarHBondContact O-N 3.45Å; A166-A169 PolarHBondContact O-N 3.25Å; Y167-A169 VanDerWaalsContact C-N 3.33Å; Y167-A169 PolarHBondContact O-N 3.35Å; A169-A172 PolarHBondContact O-N 2.72Å; A169-A173 PolarHBondContact O-N 3.28Å
170I97.5Very high95Very high124 Ų12447.5 Ų47.564%0.63627%0.273SS*.Hα-helixtrans-67.6-41.5173.8-60.7-57.8000111.2A166 Y167 D168 A172 A173 A174A166-I170 PolarHBondContact O-N 3.37Å; Y167-I170 PolarHBondContact O-N 3.29Å; D168-I170 VanDerWaalsContact C-N 3.28Å; D168-I170 PolarHBondContact O-N 3.35Å; I170-A172 VanDerWaalsContact C-N 3.33Å; I170-A172 PolarHBondContact O-N 2.93Å; I170-A173 PolarHBondContact O-N 3.02Å; I170-A174 WeakPolarHBondContact O-CB 3.31Å; I170-A174 PolarHBondContact O-N 2.66Å
171W97.5Very high95.3Very high78 Ų7848.6 Ų48.630%0.29528%0.282SS..Hα-helixtrans-60.8-42.8173.2-83.1109.1000112.1V134 Y167 D168 A173 A174 F175 F214V134-W171 HydrophobicContact CG1-CB 4.32Å; V134-W171 HydrophobicContact CG1-CD2 3.53Å; V134-W171 HydrophobicContact CG1-CE3 3.8Å; V134-W171 HydrophobicContact CG1-CG 3.77Å; V134-W171 HydrophobicContact CG1-CZ2 4.38Å; V134-W171 HydrophobicContact CG1-CZ3 4.33Å; V134-W171 HydrophobicContact CG2-CE3 3.99Å; V134-W171 HydrophobicContact CG2-CH2 4.33Å; V134-W171 HydrophobicContact CG2-CZ3 3.88Å; Y167-W171 AromaticContact CD1-CD1 3.83Å; Y167-W171 AromaticContact CD1-NE1 3.98Å; Y167-W171 AromaticContact CE1-CD1 3.56Å; Y167-W171 AromaticContact CE1-NE1 3.22Å; Y167-W171 AromaticContact CZ-NE1 3.54Å; Y167-W171 PolarHBondContact O-N 3.36Å; D168-W171 WeakPolarHBondContact O-CB 3.47Å; D168-W171 PolarHBondContact O-N 3.41Å; W171-A173 PolarHBondContact O-N 3.39Å; W171-A174 WeakPolarHBondContact O-CB 3.49Å; W171-A174 PolarHBondContact O-N 2.92Å; W171-F175 HydrophobicContact CE3-CE2 4.19Å; W171-F175 WeakPolarHBondContact O-CD2 3.43Å; W171-F175 PolarHBondContact O-N 3.3Å; W171-F214 HydrophobicContact CB-CE1 4.44Å; W171-F214 HydrophobicContact CB-CE2 3.56Å; W171-F214 HydrophobicContact CB-CZ 3.53Å; W171-F214 HydrophobicContact CG-CE2 4.34Å
172A97Very high95.5Very high0 Ų049.5 Ų49.50%028%0.283CS..Hα-helixtrans-61.1-45.1176.900000111.5D168 A169 I170 A174 F175 A176 M209 T212 F214 V221 F223D168-A172 WeakPolarHBondContact O-CB 3.03Å; D168-A172 PolarHBondContact O-N 3.02Å; A169-A172 PolarHBondContact O-N 2.72Å; I170-A172 VanDerWaalsContact C-N 3.33Å; I170-A172 PolarHBondContact O-N 2.93Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 3.38Å; A172-F175 PolarHBondContact O-N 3.5Å; A172-A176 WeakPolarHBondContact O-CB 3.42Å; A172-A176 PolarHBondContact O-N 2.97Å; A172-M209 HydrophobicContact CB-CE 3.8Å; A172-T212 HydrophobicContact CB-CG2 4.15Å; A172-F214 HydrophobicContact CB-CE1 3.78Å; A172-F214 HydrophobicContact CB-CZ 4.11Å; A172-V221 HydrophobicContact CB-CG1 4.41Å; A172-F223 HydrophobicContact CB-CE2 4.14Å; A172-F223 HydrophobicContact CB-CZ 4.06Å
173A96.2Very high95.7Very high42 Ų4247.9 Ų47.935%0.34728%0.275SS..Hα-helixtrans-60.3-42.6174.100000111.8A169 I170 W171 A176 I177A169-A173 PolarHBondContact O-N 3.28Å; I170-A173 PolarHBondContact O-N 3.02Å; W171-A173 PolarHBondContact O-N 3.39Å; A173-A176 PolarHBondContact O-N 3.19Å; A173-I177 WeakPolarHBondContact O-CB 3.48Å; A173-I177 VanDerWaalsContact O-CG1 3.23Å; A173-I177 WeakPolarHBondContact O-CG1 3.3Å; A173-I177 PolarHBondContact O-N 3.19Å
174A96.9Very high95.6Very high47 Ų4747 Ų4739%0.38827%0.268SS..Hα-helixtrans-62.2-43.917800000112.3I170 W171 A172 I177 N178I170-A174 WeakPolarHBondContact O-CB 3.31Å; I170-A174 PolarHBondContact O-N 2.66Å; W171-A174 WeakPolarHBondContact O-CB 3.49Å; W171-A174 PolarHBondContact O-N 2.92Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 3.38Å; A174-I177 PolarHBondContact O-N 3.41Å; A174-N178 WeakPolarHBondContact O-CB 3.16Å; A174-N178 PolarHBondContact O-N 3.13Å
175F97.1Very high95.5Very high71 Ų7155.9 Ų55.931%0.31130%0.302SS..Hα-helixtrans-63.1-45.6174.8-81.4-64.4000112.5V134 W171 A172 I177 N178 C179 T212 F214V134-F175 HydrophobicContact CB-CE2 4.33Å; V134-F175 HydrophobicContact CB-CZ 4.36Å; V134-F175 HydrophobicContact CG1-CE2 4.29Å; V134-F175 HydrophobicContact CG2-CE2 3.77Å; V134-F175 HydrophobicContact CG2-CZ 3.46Å; V134-F175 VanDerWaalsContact CG2-CZ 3.46Å; W171-F175 HydrophobicContact CE3-CE2 4.19Å; W171-F175 WeakPolarHBondContact O-CD2 3.43Å; W171-F175 PolarHBondContact O-N 3.3Å; A172-F175 PolarHBondContact O-N 3.5Å; F175-I177 VanDerWaalsContact C-N 3.35Å; F175-I177 PolarHBondContact O-N 3.44Å; F175-N178 PolarHBondContact O-N 2.75Å; F175-C179 WeakPolarHBondContact O-CB 3.41Å; F175-C179 PolarHBondContact O-N 2.92Å; F175-T212 HydrophobicContact CB-CG2 3.89Å; F175-F214 HydrophobicContact CD2-CB 4.34Å; F175-F214 AromaticContact CD2-CD1 3.55Å; F175-F214 HydrophobicContact CD2-CD1 3.55Å; F175-F214 HydrophobicContact CD2-CD2 4.45Å; F175-F214 AromaticContact CD2-CE1 3.91Å; F175-F214 HydrophobicContact CD2-CE1 3.91Å; F175-F214 AromaticContact CD2-CG 3.86Å; F175-F214 HydrophobicContact CD2-CG 3.86Å; F175-F214 HydrophobicContact CD2-CZ 4.48Å; F175-F214 HydrophobicContact CE2-CB 3.72Å; F175-F214 AromaticContact CE2-CD1 3.71Å; F175-F214 HydrophobicContact CE2-CD1 3.71Å; F175-F214 AromaticContact CE2-CD2 3.89Å; F175-F214 HydrophobicContact CE2-CD2 3.89Å; F175-F214 HydrophobicContact CE2-CE1 4.3Å; F175-F214 HydrophobicContact CE2-CE2 4.44Å; F175-F214 AromaticContact CE2-CG 3.48Å; F175-F214 HydrophobicContact CE2-CG 3.48Å; F175-F214 VanDerWaalsContact CE2-CG 3.48Å; F175-F214 HydrophobicContact CZ-CB 4.15Å; F175-F214 HydrophobicContact CZ-CG 4.39Å
176A96Very high95.4Very high8 Ų862.1 Ų62.17%0.06633%0.327CS..Hα-helixtrans-62.6-42.3178.600000111.8A172 A173 C179 T180 C208 M209A172-A176 WeakPolarHBondContact O-CB 3.42Å; A172-A176 PolarHBondContact O-N 2.97Å; A173-A176 PolarHBondContact O-N 3.19Å; A176-C179 PolarHBondContact O-N 3.33Å; A176-T180 WeakPolarHBondContact O-CB 3.11Å; A176-T180 PolarHBondContact O-N 2.98Å; A176-T180 PolarHBondContact O-OG1 2.96Å; A176-C208 HydrophobicContact CB-CB 4.43Å; A176-C208 WeakPolarHBondContact O-CB 3.49Å; A176-M209 HydrophobicContact CB-CB 4.29Å; A176-M209 HydrophobicContact CB-SD 3.78Å
177I94.9Very high95.2Very high76 Ų7663.5 Ų63.539%0.3932%0.319SS..Hα-helixtrans-63.1-47.9175.5-74167.3000110.5A173 A174 F175 C179 T180 V181 I191A173-I177 WeakPolarHBondContact O-CB 3.48Å; A173-I177 VanDerWaalsContact O-CG1 3.23Å; A173-I177 WeakPolarHBondContact O-CG1 3.3Å; A173-I177 PolarHBondContact O-N 3.19Å; A174-I177 PolarHBondContact O-N 3.41Å; F175-I177 VanDerWaalsContact C-N 3.35Å; F175-I177 PolarHBondContact O-N 3.44Å; I177-C179 VanDerWaalsContact C-N 3.34Å; I177-C179 PolarHBondContact O-N 3.45Å; I177-T180 WeakPolarHBondContact O-CB 3.42Å; I177-T180 PolarHBondContact O-N 2.99Å; I177-V181 HydrophobicContact CG2-CG2 4.31Å; I177-V181 WeakPolarHBondContact O-CG2 3.2Å; I177-V181 PolarHBondContact O-N 3.48Å; I177-I191 HydrophobicContact CG2-CD1 3.69Å
178N95.6Very high95Very high94 Ų9472 Ų7250%0.50335%0.351SS..Hα-helixtrans-59.6-44.1178.7-175.739000112A174 F175 T180 V181 N182A174-N178 WeakPolarHBondContact O-CB 3.16Å; A174-N178 PolarHBondContact O-N 3.13Å; F175-N178 PolarHBondContact O-N 2.75Å; N178-T180 VanDerWaalsContact C-N 3.33Å; N178-T180 PolarHBondContact O-N 2.95Å; N178-V181 PolarHBondContact O-N 3.29Å; N178-N182 PolarHBondContact O-N 3.3Å; N178-N182 PolarHBondContact O-ND2 3.42Å
179C96.1Very high94.7Very high35 Ų3575.8 Ų75.824%0.23637%0.367CS..Hα-helixtrans-59-43.3172.1168.70000112.1F175 A176 I177 N182 K183 C208F175-C179 WeakPolarHBondContact O-CB 3.41Å; F175-C179 PolarHBondContact O-N 2.92Å; A176-C179 PolarHBondContact O-N 3.33Å; I177-C179 VanDerWaalsContact C-N 3.34Å; I177-C179 PolarHBondContact O-N 3.45Å; C179-N182 PolarHBondContact O-N 3.49Å; C179-K183 PolarHBondContact O-N 3.21Å; C179-C208 HydrophobicContact CB-CB 3.57Å; C179-C208 WeakPolarHBondContact CB-SG 3.25Å; C179-C208 WeakPolarHBondContact SG-CB 3.47Å; C179-C208 CovalentContact SG-SG 2.05Å; C179-C208 PolarHBondContact SG-SG 2.84Å
180T95Very high94.4Very high0 Ų076.2 Ų76.20%036%0.364CS..Hα-helixtrans-65.1-44.9-179.8-56.40000111.5A176 I177 N178 N182 K183 L184 T201 D204 M205 C208A176-T180 WeakPolarHBondContact O-CB 3.11Å; A176-T180 PolarHBondContact O-N 2.98Å; A176-T180 PolarHBondContact O-OG1 2.96Å; I177-T180 WeakPolarHBondContact O-CB 3.42Å; I177-T180 PolarHBondContact O-N 2.99Å; N178-T180 VanDerWaalsContact C-N 3.33Å; N178-T180 PolarHBondContact O-N 2.95Å; T180-N182 VanDerWaalsContact C-N 3.28Å; T180-N182 PolarHBondContact O-N 3.38Å; T180-K183 PolarHBondContact O-N 3.28Å; T180-L184 HydrophobicContact CG2-CD1 4Å; T180-L184 HydrophobicContact CG2-CG 4.35Å; T180-L184 WeakPolarHBondContact O-CG 3.43Å; T180-L184 PolarHBondContact O-N 2.87Å; T180-T201 HydrophobicContact CG2-CG2 4.48Å; T180-D204 HydrophobicContact CG2-CB 4.5Å; T180-M205 HydrophobicContact CG2-CG 3.59Å; T180-M205 WeakPolarHBondContact OG1-CA 3.15Å; T180-C208 PolarHBondContact N-SG 3.47Å; T180-C208 VanDerWaalsContact N-SG 3.37Å
181V95Very high93.9Very high52 Ų5273.1 Ų73.132%0.31535%0.349SS..Hα-helixtrans-54.9-45.3175.7170.90000110.6I177 N178 K183 L184 Y185 I191I177-V181 HydrophobicContact CG2-CG2 4.31Å; I177-V181 WeakPolarHBondContact O-CG2 3.2Å; I177-V181 PolarHBondContact O-N 3.48Å; N178-V181 PolarHBondContact O-N 3.29Å; V181-K183 VanDerWaalsContact C-N 3.29Å; V181-K183 PolarHBondContact O-N 3.04Å; V181-L184 PolarHBondContact O-N 2.83Å; V181-Y185 WeakPolarHBondContact O-CB 3.43Å; V181-Y185 PolarHBondContact O-N 3.27Å; V181-I191 HydrophobicContact CG2-CB 3.94Å; V181-I191 HydrophobicContact CG2-CD1 3.78Å; V181-I191 HydrophobicContact CG2-CG1 4.46Å; V181-I191 HydrophobicContact CG2-CG2 4Å
182N94.9Very high93.4Very high89 Ų8974.2 Ų74.248%0.47637%0.368SS..Hα-helixtrans-62.9-33.5178.8-72.9-33.3000113.2N178 C179 T180N178-N182 PolarHBondContact O-N 3.3Å; N178-N182 PolarHBondContact O-ND2 3.42Å; C179-N182 PolarHBondContact O-N 3.49Å; T180-N182 VanDerWaalsContact C-N 3.28Å; T180-N182 PolarHBondContact O-N 3.38Å
183K93.7Very high92.8Very high41 Ų4179.6 Ų79.618%0.17839%0.393CS..Hα-helixtrans-76.1-37.7174.7-66.6-176.1-176.1170.90112.8C179 T180 V181 K186 R187 D204C179-K183 PolarHBondContact O-N 3.21Å; T180-K183 PolarHBondContact O-N 3.28Å; V181-K183 VanDerWaalsContact C-N 3.29Å; V181-K183 PolarHBondContact O-N 3.04Å; K183-K186 PolarHBondContact O-N 3.26Å; K183-R187 PolarHBondContact O-NE 2.94Å; K183-D204 HydrophobicContact CD-CB 4.05Å; K183-D204 WeakPolarHBondContact CD-OD1 3.39Å; K183-D204 PolarHBondContact NZ-O 3.38Å; K183-D204 IonicContact NZ-OD1 2.86Å; K183-D204 PolarHBondContact NZ-OD1 3.33Å
184L92.5Very high92.2Very high1 Ų182.9 Ų82.91%0.00540%0.4CS..Hα-helixtrans-65.7-39.5175.7-71.7171.3000111.5T180 V181 K186 R187 R188 K189 I191 T201T180-L184 HydrophobicContact CG2-CD1 4Å; T180-L184 HydrophobicContact CG2-CG 4.35Å; T180-L184 WeakPolarHBondContact O-CG 3.43Å; T180-L184 PolarHBondContact O-N 2.87Å; V181-L184 PolarHBondContact O-N 2.83Å; L184-K186 VanDerWaalsContact C-N 3.27Å; L184-K186 PolarHBondContact O-N 3.2Å; L184-R187 VanDerWaalsContact CD2-NH2 3.31Å; L184-R187 CarbonylContact O-C 3.35Å; L184-R187 WeakPolarHBondContact O-CA 3.33Å; L184-R187 WeakPolarHBondContact O-CB 3.44Å; L184-R187 PolarHBondContact O-N 3.28Å; L184-R188 PolarHBondContact O-N 2.97Å; L184-R188 VanDerWaalsContact O-N 3.13Å; L184-K189 CarbonylContact C-O 3.53Å; L184-K189 VanDerWaalsContact C-O 3.31Å; L184-K189 HydrophobicContact CB-CB 4.25Å; L184-K189 HydrophobicContact CD2-CB 3.99Å; L184-K189 HydrophobicContact CD2-CD 4.23Å; L184-K189 PolarHBondContact O-N 3.15Å; L184-I191 HydrophobicContact CD1-CB 4.08Å; L184-I191 HydrophobicContact CD1-CG1 4.29Å; L184-T201 HydrophobicContact CD1-CG2 4.32Å
185Y92.4Very high91.8Very high186 Ų18684.8 Ų84.873%0.72940%0.403SS*.Hα-helixtrans-57-40.4176.2-174.3-100.1000112.3V181 R187 R188V181-Y185 WeakPolarHBondContact O-CB 3.43Å; V181-Y185 PolarHBondContact O-N 3.27Å; Y185-R187 PolarHBondContact O-N 3.42Å; Y185-R188 PolarHBondContact O-N 3.36Å
186K92.3Very high91.3Very high179 Ų17992.5 Ų92.578%0.77843%0.432SS*.Hα-helixtrans-63-24.3174.7-66.6177.1-175.8-177.20113.4K183 L184K183-K186 PolarHBondContact O-N 3.26Å; L184-K186 VanDerWaalsContact C-N 3.27Å; L184-K186 PolarHBondContact O-N 3.2Å
187R91Very high91Very high93 Ų93100.2 Ų100.235%0.35147%0.467SS..THydrogen-bonded Turntrans-97.89.2175.6-66.6175.2-70.2-169.7-5.3112.9K183 L184 Y185 K189 D204K183-R187 PolarHBondContact O-NE 2.94Å; L184-R187 VanDerWaalsContact CD2-NH2 3.31Å; L184-R187 CarbonylContact O-C 3.35Å; L184-R187 WeakPolarHBondContact O-CA 3.33Å; L184-R187 WeakPolarHBondContact O-CB 3.44Å; L184-R187 PolarHBondContact O-N 3.28Å; Y185-R187 PolarHBondContact O-N 3.42Å; R187-K189 PolarHBondContact O-N 3.25Å; R187-D204 IonicContact CZ-OD2 3.01Å; R187-D204 IonicContact NH1-OD2 2.76Å; R187-D204 PolarHBondContact NH1-OD2 3.48Å; R187-D204 IonicContact NH2-OD2 2.61Å; R187-D204 PolarHBondContact NH2-OD2 3.11Å
188R90.5Very high90.7Very high242 Ų24298 Ų9891%0.91346%0.455SS*.THydrogen-bonded Turntrans54.930.7-175.9-54.5-179.7179.4-178.3-0.7113.4L184 Y185L184-R188 PolarHBondContact O-N 2.97Å; L184-R188 VanDerWaalsContact O-N 3.13Å; Y185-R188 PolarHBondContact O-N 3.36Å
189K90.2Very high90.5Very high80 Ų8097.9 Ų97.935%0.34846%0.458SS..  trans-106151.9173.2-69.7-173.3174-173.20109.9L184 R187 D198L184-K189 CarbonylContact C-O 3.53Å; L184-K189 VanDerWaalsContact C-O 3.31Å; L184-K189 HydrophobicContact CB-CB 4.25Å; L184-K189 HydrophobicContact CD2-CB 3.99Å; L184-K189 HydrophobicContact CD2-CD 4.23Å; L184-K189 PolarHBondContact O-N 3.15Å; R187-K189 PolarHBondContact O-N 3.25Å; K189-D198 IonicContact NZ-OD2 3.92Å
190T90.3Very high90.3Very high62 Ų62100.7 Ų100.738%0.3847%0.471SS..  trans-101.3155.5169.768.20000110.9S192 E193T190-S192 PolarHBondContact O-N 3.36Å; T190-S192 PolarHBondContact OG1-OG 3.34Å; T190-E193 WeakPolarHBondContact CG2-OE1 3.46Å; T190-E193 PolarHBondContact N-OE2 3.3Å; T190-E193 VanDerWaalsContact N-OE2 3.13Å; T190-E193 PolarHBondContact O-N 3.29Å; T190-E193 VanDerWaalsContact OG1-CG 3.25Å; T190-E193 WeakPolarHBondContact OG1-CG 3.36Å; T190-E193 PolarHBondContact OG1-OE1 3.23Å
191I86.1Confident90.1Very high60 Ų60101 Ų10131%0.30847%0.472SS..G310 helixtrans-66.4-24.1176.5-166.4163.7000112.4I177 V181 L184 E193 F194I177-I191 HydrophobicContact CG2-CD1 3.69Å; V181-I191 HydrophobicContact CG2-CB 3.94Å; V181-I191 HydrophobicContact CG2-CD1 3.78Å; V181-I191 HydrophobicContact CG2-CG1 4.46Å; V181-I191 HydrophobicContact CG2-CG2 4Å; L184-I191 HydrophobicContact CD1-CB 4.08Å; L184-I191 HydrophobicContact CD1-CG1 4.29Å; I191-E193 PolarHBondContact O-N 3.03Å; I191-F194 VanDerWaalsContact O-CD1 3.23Å; I191-F194 WeakPolarHBondContact O-CD1 3.34Å
192S87.1Confident90Very high100 Ų100101 Ų10170%0.69948%0.478SS*.G310 helixtrans-69.8-1417535.40000114.2T190T190-S192 PolarHBondContact O-N 3.36Å; T190-S192 PolarHBondContact OG1-OG 3.34Å
193E85.2Confident89.9Confident113 Ų113101.1 Ų101.153%0.52848%0.479SS..G310 helixtrans-90.36.3-177.8-73.8156.1-149.900113.8T190 I191T190-E193 WeakPolarHBondContact CG2-OE1 3.46Å; T190-E193 PolarHBondContact N-OE2 3.3Å; T190-E193 VanDerWaalsContact N-OE2 3.13Å; T190-E193 PolarHBondContact O-N 3.29Å; T190-E193 VanDerWaalsContact OG1-CG 3.25Å; T190-E193 WeakPolarHBondContact OG1-CG 3.36Å; T190-E193 PolarHBondContact OG1-OE1 3.23Å; I191-E193 PolarHBondContact O-N 3.03Å
194F84.5Confident89.9Confident111 Ų111100.4 Ų100.449%0.48748%0.477SS..  trans-71.5150.4-179.887.7-79.3000112.3I191 T201I191-F194 VanDerWaalsContact O-CD1 3.23Å; I191-F194 WeakPolarHBondContact O-CD1 3.34Å; F194-T201 HydrophobicContact CB-CG2 4.18Å
195N86.5Confident89.9Confident88 Ų88104.1 Ų104.147%0.47150%0.495SS..  trans-130.1167.2165.467.150.7000109.5E197 D198N195-E197 PolarHBondContact O-N 3.33Å; N195-E197 VanDerWaalsContact O-N 3.17Å; N195-E197 WeakPolarHBondContact OD1-CA 3.5Å; N195-E197 WeakPolarHBondContact OD1-CB 3.07Å; N195-E197 PolarHBondContact OD1-N 3.03Å; N195-D198 WeakPolarHBondContact O-CB 3.26Å; N195-D198 PolarHBondContact O-N 3.21Å; N195-D198 VanDerWaalsContact O-N 3.1Å; N195-D198 PolarHBondContact OD1-N 2.87Å
196Y87.3Confident90Very high232 Ų232100 Ų10091%0.9149%0.485SS*.THydrogen-bonded Turntrans-68.7-10.1-177.3-74-83.8000114.3
197E89.4Confident90.1Very high171 Ų17197 Ų9780%0.79947%0.472SS*.THydrogen-bonded Turntrans-95.3-5.8174.9-57.1-178.4168.600112.4N195 V199N195-E197 PolarHBondContact O-N 3.33Å; N195-E197 VanDerWaalsContact O-N 3.17Å; N195-E197 WeakPolarHBondContact OD1-CA 3.5Å; N195-E197 WeakPolarHBondContact OD1-CB 3.07Å; N195-E197 PolarHBondContact OD1-N 3.03Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 2.65Å
198D90Very high90.3Very high28 Ų2892.6 Ų92.615%0.1546%0.456CS..  trans-76.183.3-178.9-169.5-14.5000111.3K189 N195 D200 T201 A202K189-D198 IonicContact NZ-OD2 3.92Å; N195-D198 WeakPolarHBondContact O-CB 3.26Å; N195-D198 PolarHBondContact O-N 3.21Å; N195-D198 VanDerWaalsContact O-N 3.1Å; N195-D198 PolarHBondContact OD1-N 2.87Å; D198-D200 PolarHBondContact O-N 2.96Å; D198-D200 PolarHBondContact OD1-N 2.71Å; D198-D200 VanDerWaalsContact OD1-N 3.16Å; D198-T201 VanDerWaalsContact CG-CB 3.48Å; D198-T201 PolarHBondContact O-N 3.18Å; D198-T201 PolarHBondContact OD1-N 3.47Å; D198-T201 PolarHBondContact OD1-OG1 2.84Å; D198-T201 WeakPolarHBondContact OD2-CB 3.34Å; D198-T201 PolarHBondContact OD2-OG1 2.57Å; D198-A202 WeakPolarHBondContact O-CB 3.13Å; D198-A202 PolarHBondContact O-N 2.88Å
199V91.4Very high90.6Very high92 Ų9283.9 Ų83.956%0.55843%0.426SS*.Hα-helixtrans-59.5-34.3177.2178.30000111.7E197 A202 N203E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 2.65Å; V199-A202 PolarHBondContact O-N 3.49Å; V199-N203 WeakPolarHBondContact CG1-ND2 3.35Å; V199-N203 VanDerWaalsContact O-CB 3.28Å; V199-N203 WeakPolarHBondContact O-CB 3.36Å; V199-N203 PolarHBondContact O-N 3.44Å; V199-N203 PolarHBondContact O-ND2 2.72Å; V199-N203 VanDerWaalsContact O-ND2 3.15Å
200D90.6Very high90.7Very high95 Ų9585.3 Ų85.351%0.50843%0.433SS..Hα-helixtrans-68.8-46.1-178.5-71.3-25.4000111.3D198 N203 D204D198-D200 PolarHBondContact O-N 2.96Å; D198-D200 PolarHBondContact OD1-N 2.71Å; D198-D200 VanDerWaalsContact OD1-N 3.16Å; D200-N203 PolarHBondContact O-N 3.36Å; D200-D204 PolarHBondContact O-N 3.4Å
201T91.4Very high90.8Very high5 Ų588.1 Ų88.13%0.03144%0.441CS..Hα-helixtrans-65.2-42.5176.4-63.10000110.7T180 L184 F194 D198 N203 D204 M205T180-T201 HydrophobicContact CG2-CG2 4.48Å; L184-T201 HydrophobicContact CD1-CG2 4.32Å; F194-T201 HydrophobicContact CB-CG2 4.18Å; D198-T201 VanDerWaalsContact CG-CB 3.48Å; D198-T201 PolarHBondContact O-N 3.18Å; D198-T201 PolarHBondContact OD1-N 3.47Å; D198-T201 PolarHBondContact OD1-OG1 2.84Å; D198-T201 WeakPolarHBondContact OD2-CB 3.34Å; D198-T201 PolarHBondContact OD2-OG1 2.57Å; T201-N203 PolarHBondContact O-N 3.23Å; T201-D204 PolarHBondContact O-N 3.14Å; T201-M205 HydrophobicContact CG2-CG 4.49Å; T201-M205 HydrophobicContact CG2-SD 4.3Å; T201-M205 WeakPolarHBondContact O-CG 3.46Å; T201-M205 PolarHBondContact O-N 2.92Å
202A92.4Very high91.3Very high53 Ų5385.7 Ų85.744%0.43843%0.429SS..Hα-helixtrans-60.8-44.3176.200000112.4D198 V199 D204 M205 L206D198-A202 WeakPolarHBondContact O-CB 3.13Å; D198-A202 PolarHBondContact O-N 2.88Å; V199-A202 PolarHBondContact O-N 3.49Å; A202-D204 VanDerWaalsContact C-N 3.31Å; A202-D204 PolarHBondContact O-N 2.88Å; A202-M205 PolarHBondContact O-N 3.35Å; A202-L206 WeakPolarHBondContact O-CB 3.21Å; A202-L206 PolarHBondContact O-N 2.89Å
203N93.6Very high91.6Very high91 Ų9187.9 Ų87.949%0.48743%0.43SS..Hα-helixtrans-62.5-38.9176-78.2-28.9000112V199 D200 T201 L206 K207V199-N203 WeakPolarHBondContact CG1-ND2 3.35Å; V199-N203 VanDerWaalsContact O-CB 3.28Å; V199-N203 WeakPolarHBondContact O-CB 3.36Å; V199-N203 PolarHBondContact O-N 3.44Å; V199-N203 PolarHBondContact O-ND2 2.72Å; V199-N203 VanDerWaalsContact O-ND2 3.15Å; D200-N203 PolarHBondContact O-N 3.36Å; T201-N203 PolarHBondContact O-N 3.23Å; N203-L206 PolarHBondContact O-N 2.93Å; N203-K207 VanDerWaalsContact O-CB 3.3Å; N203-K207 WeakPolarHBondContact O-CB 3.21Å; N203-K207 PolarHBondContact O-N 3.26Å
204D93.8Very high92.1Very high26 Ų2683.4 Ų83.414%0.13941%0.409CS..Hα-helixtrans-69.3-39.4176.4-86.7-44.4000113.6T180 K183 R187 D200 T201 A202 K207 C208T180-D204 HydrophobicContact CG2-CB 4.5Å; K183-D204 HydrophobicContact CD-CB 4.05Å; K183-D204 WeakPolarHBondContact CD-OD1 3.39Å; K183-D204 PolarHBondContact NZ-O 3.38Å; K183-D204 IonicContact NZ-OD1 2.86Å; K183-D204 PolarHBondContact NZ-OD1 3.33Å; R187-D204 IonicContact CZ-OD2 3.01Å; R187-D204 IonicContact NH1-OD2 2.76Å; R187-D204 PolarHBondContact NH1-OD2 3.48Å; R187-D204 IonicContact NH2-OD2 2.61Å; R187-D204 PolarHBondContact NH2-OD2 3.11Å; D200-D204 PolarHBondContact O-N 3.4Å; T201-D204 PolarHBondContact O-N 3.14Å; A202-D204 VanDerWaalsContact C-N 3.31Å; A202-D204 PolarHBondContact O-N 2.88Å; D204-K207 PolarHBondContact O-N 2.91Å; D204-C208 VanDerWaalsContact O-CB 3.29Å; D204-C208 WeakPolarHBondContact O-CB 3.29Å; D204-C208 PolarHBondContact O-N 3.17Å; D204-C208 PolarHBondContact O-SG 3.44Å
205M93Very high92.6Very high80 Ų8081 Ų8139%0.39440%0.397SS..Hα-helixtrans-60.3-48.1172.5-72.5-18075.400110.7T180 T201 A202 K207 C208 M209T180-M205 HydrophobicContact CG2-CG 3.59Å; T180-M205 WeakPolarHBondContact OG1-CA 3.15Å; T201-M205 HydrophobicContact CG2-CG 4.49Å; T201-M205 HydrophobicContact CG2-SD 4.3Å; T201-M205 WeakPolarHBondContact O-CG 3.46Å; T201-M205 PolarHBondContact O-N 2.92Å; A202-M205 PolarHBondContact O-N 3.35Å; M205-K207 VanDerWaalsContact C-N 3.34Å; M205-K207 PolarHBondContact O-N 3.39Å; M205-C208 PolarHBondContact O-N 3.31Å; M205-M209 WeakPolarHBondContact O-CB 3.21Å; M205-M209 PolarHBondContact O-N 2.77Å
206L93.3Very high93Very high99 Ų9976.9 Ų76.952%0.51838%0.375SS..Hα-helixtrans-61.7-43.2177.9-177.162000111.5A202 N203 M209 K210A202-L206 WeakPolarHBondContact O-CB 3.21Å; A202-L206 PolarHBondContact O-N 2.89Å; N203-L206 PolarHBondContact O-N 2.93Å; L206-M209 PolarHBondContact O-N 3.43Å; L206-K210 WeakPolarHBondContact O-CG 3.45Å; L206-K210 PolarHBondContact O-N 2.8Å
207K94.5Very high93.4Very high116 Ų11665.8 Ų65.850%0.50433%0.331SS..Hα-helixtrans-63.9-41.6176.3-176.9170.7-179.71760112N203 D204 M205 K210 Q211N203-K207 VanDerWaalsContact O-CB 3.3Å; N203-K207 WeakPolarHBondContact O-CB 3.21Å; N203-K207 PolarHBondContact O-N 3.26Å; D204-K207 PolarHBondContact O-N 2.91Å; M205-K207 VanDerWaalsContact C-N 3.34Å; M205-K207 PolarHBondContact O-N 3.39Å; K207-K210 PolarHBondContact O-N 2.96Å; K207-Q211 VanDerWaalsContact O-CG 3.3Å; K207-Q211 WeakPolarHBondContact O-CG 3.09Å; K207-Q211 PolarHBondContact O-N 2.92Å; K207-Q211 VanDerWaalsContact O-N 3.17Å
208C95.9Very high93.6Very high1 Ų158.1 Ų58.11%0.00730%0.296CS..Hα-helixtrans-66.4-37.8176.2-78.10000111.9A176 C179 T180 D204 M205 Q211 T212A176-C208 HydrophobicContact CB-CB 4.43Å; A176-C208 WeakPolarHBondContact O-CB 3.49Å; C179-C208 HydrophobicContact CB-CB 3.57Å; C179-C208 WeakPolarHBondContact CB-SG 3.25Å; C179-C208 WeakPolarHBondContact SG-CB 3.47Å; C179-C208 CovalentContact SG-SG 2.05Å; C179-C208 PolarHBondContact SG-SG 2.84Å; T180-C208 PolarHBondContact N-SG 3.47Å; T180-C208 VanDerWaalsContact N-SG 3.37Å; D204-C208 VanDerWaalsContact O-CB 3.29Å; D204-C208 WeakPolarHBondContact O-CB 3.29Å; D204-C208 PolarHBondContact O-N 3.17Å; D204-C208 PolarHBondContact O-SG 3.44Å; M205-C208 PolarHBondContact O-N 3.31Å; C208-Q211 PolarHBondContact O-N 3.09Å; C208-T212 PolarHBondContact O-N 3.26Å; C208-T212 PolarHBondContact O-OG1 3.4Å
209M95.3Very high93.7Very high59 Ų5957.1 Ų57.129%0.29129%0.293SS..Hα-helixtrans-62.3-46.6174.3-166.470.9-16400111.2A172 A176 M205 L206 Q211 T212 F223A172-M209 HydrophobicContact CB-CE 3.8Å; A176-M209 HydrophobicContact CB-CB 4.29Å; A176-M209 HydrophobicContact CB-SD 3.78Å; M205-M209 WeakPolarHBondContact O-CB 3.21Å; M205-M209 PolarHBondContact O-N 2.77Å; L206-M209 PolarHBondContact O-N 3.43Å; M209-Q211 PolarHBondContact O-N 3.34Å; M209-T212 VanDerWaalsContact O-CB 3.26Å; M209-T212 WeakPolarHBondContact O-CB 3.07Å; M209-T212 PolarHBondContact O-N 3.49Å; M209-T212 PolarHBondContact O-OG1 3.38Å; M209-F223 HydrophobicContact CE-CD2 4.08Å; M209-F223 HydrophobicContact CE-CE1 3.94Å; M209-F223 HydrophobicContact CE-CE2 3.42Å; M209-F223 VanDerWaalsContact CE-CE2 3.42Å; M209-F223 HydrophobicContact CE-CZ 3.32Å
210K93.3Very high93.7Very high110 Ų11056 Ų5648%0.47828%0.283SS..Hα-helixtrans-60.6-28.8176.1-73.2-175.6175.6-162.30113.6L206 K207 E225L206-K210 WeakPolarHBondContact O-CG 3.45Å; L206-K210 PolarHBondContact O-N 2.8Å; K207-K210 PolarHBondContact O-N 2.96Å; K210-E225 PolarHBondContact NZ-O 3.42Å
211Q93.3Very high93.9Very high121 Ų12151.4 Ų51.457%0.56526%0.259SS*.THydrogen-bonded Turntrans-87.9-4.5178.4-70.3176.8-25.200113.2K207 C208 M209 M213K207-Q211 VanDerWaalsContact O-CG 3.3Å; K207-Q211 WeakPolarHBondContact O-CG 3.09Å; K207-Q211 PolarHBondContact O-N 2.92Å; K207-Q211 VanDerWaalsContact O-N 3.17Å; C208-Q211 PolarHBondContact O-N 3.09Å; M209-Q211 PolarHBondContact O-N 3.34Å; Q211-M213 PolarHBondContact O-N 2.84Å
212T95Very high93.9Very high9 Ų952.5 Ų52.56%0.05526%0.264CS..  trans-72.3117.8-177.7-640000109.6A172 F175 C208 M209 F214A172-T212 HydrophobicContact CB-CG2 4.15Å; F175-T212 HydrophobicContact CB-CG2 3.89Å; C208-T212 PolarHBondContact O-N 3.26Å; C208-T212 PolarHBondContact O-OG1 3.4Å; M209-T212 VanDerWaalsContact O-CB 3.26Å; M209-T212 WeakPolarHBondContact O-CB 3.07Å; M209-T212 PolarHBondContact O-N 3.49Å; M209-T212 PolarHBondContact O-OG1 3.38Å; T212-F214 HydrophobicContact CG2-CD1 3.67Å; T212-F214 HydrophobicContact CG2-CE1 3.69Å
213M94.7Very high93.9Very high145 Ų14552.2 Ų52.271%0.71425%0.253SS*.  trans-140.6120.8174.4-176.3-179.771.900108.8Q211 V221 M222Q211-M213 PolarHBondContact O-N 2.84Å; M213-V221 VanDerWaalsContact CA-O 3.3Å; M213-V221 WeakPolarHBondContact CA-O 3.48Å; M213-M222 HydrophobicContact CG-CB 4.44Å; M213-M222 HydrophobicContact CG-CE 4.19Å; M213-M222 HydrophobicContact SD-CE 4.3Å
214F95.6Very high93.7Very high19 Ų1948.8 Ų48.88%0.08324%0.237CC..EExtended strand (participates in β ladder)trans-156.3164.1176.765.3-81.9000110.3V134 D168 W171 A172 F175 T212 V221V134-F214 HydrophobicContact CB-CD2 4.19Å; V134-F214 HydrophobicContact CG1-CD2 3.63Å; V134-F214 HydrophobicContact CG1-CE2 3.95Å; D168-F214 HydrophobicContact CB-CE2 4.47Å; D168-F214 HydrophobicContact CB-CZ 4.4Å; D168-F214 WeakPolarHBondContact O-CZ 3.34Å; W171-F214 HydrophobicContact CB-CE1 4.44Å; W171-F214 HydrophobicContact CB-CE2 3.56Å; W171-F214 HydrophobicContact CB-CZ 3.53Å; W171-F214 HydrophobicContact CG-CE2 4.34Å; A172-F214 HydrophobicContact CB-CE1 3.78Å; A172-F214 HydrophobicContact CB-CZ 4.11Å; F175-F214 HydrophobicContact CD2-CB 4.34Å; F175-F214 AromaticContact CD2-CD1 3.55Å; F175-F214 HydrophobicContact CD2-CD1 3.55Å; F175-F214 HydrophobicContact CD2-CD2 4.45Å; F175-F214 AromaticContact CD2-CE1 3.91Å; F175-F214 HydrophobicContact CD2-CE1 3.91Å; F175-F214 AromaticContact CD2-CG 3.86Å; F175-F214 HydrophobicContact CD2-CG 3.86Å; F175-F214 HydrophobicContact CD2-CZ 4.48Å; F175-F214 HydrophobicContact CE2-CB 3.72Å; F175-F214 AromaticContact CE2-CD1 3.71Å; F175-F214 HydrophobicContact CE2-CD1 3.71Å; F175-F214 AromaticContact CE2-CD2 3.89Å; F175-F214 HydrophobicContact CE2-CD2 3.89Å; F175-F214 HydrophobicContact CE2-CE1 4.3Å; F175-F214 HydrophobicContact CE2-CE2 4.44Å; F175-F214 AromaticContact CE2-CG 3.48Å; F175-F214 HydrophobicContact CE2-CG 3.48Å; F175-F214 VanDerWaalsContact CE2-CG 3.48Å; F175-F214 HydrophobicContact CZ-CB 4.15Å; F175-F214 HydrophobicContact CZ-CG 4.39Å; T212-F214 HydrophobicContact CG2-CD1 3.67Å; T212-F214 HydrophobicContact CG2-CE1 3.69Å; F214-V221 HydrophobicContact CD1-CB 4.02Å; F214-V221 HydrophobicContact CD1-CG1 4.29Å; F214-V221 HydrophobicContact CD2-CB 4.36Å; F214-V221 HydrophobicContact CD2-CG2 4.24Å; F214-V221 HydrophobicContact CE1-CB 3.61Å; F214-V221 HydrophobicContact CE1-CG1 3.49Å; F214-V221 VanDerWaalsContact CE1-CG1 3.49Å; F214-V221 HydrophobicContact CE1-CG2 4.16Å; F214-V221 HydrophobicContact CE2-CB 3.99Å; F214-V221 HydrophobicContact CE2-CG1 4.46Å; F214-V221 HydrophobicContact CE2-CG2 3.65Å; F214-V221 HydrophobicContact CG-CB 4.37Å; F214-V221 HydrophobicContact CZ-CB 3.59Å; F214-V221 HydrophobicContact CZ-CG1 3.59Å; F214-V221 HydrophobicContact CZ-CG2 3.6Å; F214-V221 PolarHBondContact N-O 3.36Å; F214-V221 PolarHBondContact O-N 3.38Å
215R94.6Very high93.3Very high61 Ų6156.2 Ų56.223%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-90.1118.9172.5-171.7152.3-178.5847.4110.3S127 D129 T131 G133 V134 D220S127-R215 PolarHBondContact OG-NH2 3.47Å; D129-R215 IonicContact OD1-CZ 2.98Å; D129-R215 IonicContact OD1-NE 2.86Å; D129-R215 IonicContact OD1-NH2 3.82Å; D129-R215 PolarHBondContact OD1-NH2 2.9Å; D129-R215 IonicContact OD2-CZ 2.64Å; D129-R215 IonicContact OD2-NH1 3.16Å; D129-R215 IonicContact OD2-NH2 3.6Å; D129-R215 PolarHBondContact OD2-NH2 3.45Å; T131-R215 PolarHBondContact OG1-NE 2.92Å; T131-R215 PolarHBondContact OG1-NH2 3.07Å; G133-R215 CarbonylContact C-O 3.31Å; G133-R215 WeakPolarHBondContact CA-O 3.29Å; V134-R215 PolarHBondContact N-O 3.41Å; R215-D220 IonicContact CZ-OD1 2.61Å; R215-D220 IonicContact NH1-OD1 2.81Å; R215-D220 PolarHBondContact NH1-OD1 2.04Å
216G95Very high92.9Very high1 Ų159.7 Ų59.71%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-106.7-174.2177.400000112.4D168 S218 G219D168-G216 VanDerWaalsContact OD1-CA 3.3Å; D168-G216 WeakPolarHBondContact OD1-CA 3.37Å; D168-G216 WeakPolarHBondContact OD2-CA 3.47Å; G216-S218 VanDerWaalsContact C-N 3.27Å; G216-G219 WeakPolarHBondContact CA-O 3.4Å; G216-G219 PolarHBondContact N-O 2.99Å; G216-G219 PolarHBondContact O-N 3.48Å
217V95.3Very high92.6Very high0 Ų057.1 Ų57.10%028%0.28CS..THydrogen-bonded Turntrans-76.4-19.7176.7-61.90000112.2S127 S139 F142 P164 Y167 D168 G219S127-V217 PolarHBondContact N-O 3.02Å; S127-V217 VanDerWaalsContact N-O 3.15Å; S139-V217 VanDerWaalsContact CB-O 3.26Å; S139-V217 WeakPolarHBondContact CB-O 3.5Å; S139-V217 PolarHBondContact OG-O 3.33Å; F142-V217 HydrophobicContact CB-CB 4.04Å; F142-V217 HydrophobicContact CB-CG1 3.81Å; F142-V217 HydrophobicContact CB-CG2 4.39Å; F142-V217 HydrophobicContact CD1-CG2 4.18Å; F142-V217 HydrophobicContact CD2-CG1 4.42Å; F142-V217 HydrophobicContact CD2-CG2 4.15Å; F142-V217 HydrophobicContact CG-CB 4.16Å; F142-V217 HydrophobicContact CG-CG1 4.2Å; F142-V217 HydrophobicContact CG-CG2 3.96Å; P164-V217 HydrophobicContact CB-CG2 3.99Å; Y167-V217 HydrophobicContact CD1-CG1 4.4Å; Y167-V217 HydrophobicContact CD1-CG2 3.79Å; Y167-V217 HydrophobicContact CE1-CG1 4.37Å; Y167-V217 HydrophobicContact CG-CG2 4.47Å; D168-V217 PolarHBondContact OD1-N 2.82Å; D168-V217 VanDerWaalsContact OD1-N 3.12Å; D168-V217 PolarHBondContact OD2-N 3.36Å; V217-G219 VanDerWaalsContact C-N 3.3Å
218S93.4Very high92.3Very high9 Ų955.2 Ų55.26%0.06328%0.276CS..THydrogen-bonded Turntrans-85.53.2170.165.60000113.6M125 D168 G216 R229M125-S218 WeakPolarHBondContact O-CA 3.38Å; M125-S218 VanDerWaalsContact O-CB 3.31Å; M125-S218 WeakPolarHBondContact O-CB 3.36Å; D168-S218 VanDerWaalsContact OD2-CB 3.25Å; D168-S218 WeakPolarHBondContact OD2-CB 3.43Å; D168-S218 PolarHBondContact OD2-N 2.86Å; D168-S218 PolarHBondContact OD2-OG 2.9Å; G216-S218 VanDerWaalsContact C-N 3.27Å; S218-R229 PolarHBondContact OG-NH1 3.26Å; S218-R229 PolarHBondContact OG-NH2 3.42Å
219G92.1Very high92Very high7 Ų758.4 Ų58.47%0.07229%0.288CS..EExtended strand (participates in β ladder)trans99.5-156.5-173.100000111.7G216 V217 V221G216-G219 WeakPolarHBondContact CA-O 3.4Å; G216-G219 PolarHBondContact N-O 2.99Å; G216-G219 PolarHBondContact O-N 3.48Å; V217-G219 VanDerWaalsContact C-N 3.3Å; G219-V221 PolarHBondContact O-N 3.47Å
220D92.3Very high91.6Very high68 Ų6857.1 Ų57.136%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-69.2130.5-178.8-65-15.3000110.8R215 M222 R229 R252R215-D220 IonicContact CZ-OD1 2.61Å; R215-D220 IonicContact NH1-OD1 2.81Å; R215-D220 PolarHBondContact NH1-OD1 2.04Å; D220-M222 HydrophobicContact CB-CE 3.87Å; D220-R229 PolarHBondContact O-NH2 2.96Å; D220-R252 IonicContact OD2-NH1 3.79Å
221V93.2Very high91.4Very high0 Ų053.2 Ų53.20%027%0.27CS..EExtended strand (participates in β ladder)trans-108.5116.6-177.8-177.10000108.9D168 A172 M213 F214 G219 F223D168-V221 HydrophobicContact CB-CG2 3.8Å; A172-V221 HydrophobicContact CB-CG1 4.41Å; M213-V221 VanDerWaalsContact CA-O 3.3Å; M213-V221 WeakPolarHBondContact CA-O 3.48Å; F214-V221 HydrophobicContact CD1-CB 4.02Å; F214-V221 HydrophobicContact CD1-CG1 4.29Å; F214-V221 HydrophobicContact CD2-CB 4.36Å; F214-V221 HydrophobicContact CD2-CG2 4.24Å; F214-V221 HydrophobicContact CE1-CB 3.61Å; F214-V221 HydrophobicContact CE1-CG1 3.49Å; F214-V221 VanDerWaalsContact CE1-CG1 3.49Å; F214-V221 HydrophobicContact CE1-CG2 4.16Å; F214-V221 HydrophobicContact CE2-CB 3.99Å; F214-V221 HydrophobicContact CE2-CG1 4.46Å; F214-V221 HydrophobicContact CE2-CG2 3.65Å; F214-V221 HydrophobicContact CG-CB 4.37Å; F214-V221 HydrophobicContact CZ-CB 3.59Å; F214-V221 HydrophobicContact CZ-CG1 3.59Å; F214-V221 HydrophobicContact CZ-CG2 3.6Å; F214-V221 PolarHBondContact N-O 3.36Å; F214-V221 PolarHBondContact O-N 3.38Å; G219-V221 PolarHBondContact O-N 3.47Å; V221-F223 HydrophobicContact CG1-CE2 4.16Å; V221-F223 HydrophobicContact CG1-CZ 4.16Å
222M92.6Very high91.2Very high27 Ų2750.3 Ų50.313%0.13326%0.258CS..  trans-159.2166.2175.765.1-170.27600110.4M213 D220 R229 I230M213-M222 HydrophobicContact CG-CB 4.44Å; M213-M222 HydrophobicContact CG-CE 4.19Å; M213-M222 HydrophobicContact SD-CE 4.3Å; D220-M222 HydrophobicContact CB-CE 3.87Å; M222-R229 WeakPolarHBondContact O-CD 3.48Å; M222-I230 HydrophobicContact CG-CB 3.92Å; M222-I230 HydrophobicContact CG-CD1 4.16Å; M222-I230 HydrophobicContact CG-CG1 4.45Å; M222-I230 PolarHBondContact O-N 3.44Å
223F92.9Very high91.1Very high47 Ų4751.9 Ų51.921%0.20627%0.267CS..BIsolated β-bridgetrans-126142.4-172.5-56.9-87.2000111.5A172 M209 V221 D228 R229A172-F223 HydrophobicContact CB-CE2 4.14Å; A172-F223 HydrophobicContact CB-CZ 4.06Å; M209-F223 HydrophobicContact CE-CD2 4.08Å; M209-F223 HydrophobicContact CE-CE1 3.94Å; M209-F223 HydrophobicContact CE-CE2 3.42Å; M209-F223 VanDerWaalsContact CE-CE2 3.42Å; M209-F223 HydrophobicContact CE-CZ 3.32Å; V221-F223 HydrophobicContact CG1-CE2 4.16Å; V221-F223 HydrophobicContact CG1-CZ 4.16Å; F223-D228 CarbonylContact C-O 3.38Å; F223-D228 VanDerWaalsContact CA-O 3.27Å; F223-D228 WeakPolarHBondContact CA-O 3.32Å; F223-R229 HydrophobicContact CE1-CB 4.47Å
224S88.7Confident91.1Very high20 Ų2046.9 Ų46.914%0.1424%0.242CC..  trans-68.7169.3172.878.20000111.1K226 G227 D228S224-K226 PolarHBondContact O-N 3.08Å; S224-K226 PolarHBondContact OG-N 3.12Å; S224-G227 WeakPolarHBondContact O-CA 3.37Å; S224-G227 PolarHBondContact O-N 3.33Å; S224-G227 PolarHBondContact OG-N 2.9Å; S224-D228 PolarHBondContact N-O 3.35Å; S224-D228 PolarHBondContact OG-N 2.87Å; S224-D228 VanDerWaalsContact OG-N 3.07Å
225E85.6Confident91.2Very high181 Ų18146.9 Ų46.985%0.84624%0.243SC*.THydrogen-bonded Turntrans-60.4-30175.1-65.7-164.9152.800113.2K210 G227K210-E225 PolarHBondContact NZ-O 3.42Å; E225-G227 VanDerWaalsContact C-N 3.25Å; E225-G227 PolarHBondContact O-N 3.26Å
226K85.2Confident91.3Very high154 Ų15445.8 Ų45.867%0.6724%0.241SC*.THydrogen-bonded Turntrans-75.4-12174.6-64.5-177.4-1781750112.8S224 D228S224-K226 PolarHBondContact O-N 3.08Å; S224-K226 PolarHBondContact OG-N 3.12Å; K226-D228 WeakPolarHBondContact CB-OD2 3.32Å
227G86.4Confident91.4Very high44 Ų4445.8 Ų45.845%0.45424%0.24SC..SBendtrans91.79.4-178.700000114.6S224 E225S224-G227 WeakPolarHBondContact O-CA 3.37Å; S224-G227 PolarHBondContact O-N 3.33Å; S224-G227 PolarHBondContact OG-N 2.9Å; E225-G227 VanDerWaalsContact C-N 3.25Å; E225-G227 PolarHBondContact O-N 3.26Å
228D88.1Confident91.5Very high77 Ų7745.8 Ų45.841%0.41224%0.24SC..PPolyproline II helixtrans-80144.1178.1-55-51.1000110.5F223 S224 K226 I230F223-D228 CarbonylContact C-O 3.38Å; F223-D228 VanDerWaalsContact CA-O 3.27Å; F223-D228 WeakPolarHBondContact CA-O 3.32Å; S224-D228 PolarHBondContact N-O 3.35Å; S224-D228 PolarHBondContact OG-N 2.87Å; S224-D228 VanDerWaalsContact OG-N 3.07Å; K226-D228 WeakPolarHBondContact CB-OD2 3.32Å; D228-I230 PolarHBondContact O-N 2.8Å
229R89.8Confident91.6Very high68 Ų6846.9 Ų46.926%0.25724%0.244SC..BIsolated β-bridgetrans-68.4126.6174.8174.664.7-173.5-88.3-3.4109.2S218 D220 M222 F223S218-R229 PolarHBondContact OG-NH1 3.26Å; S218-R229 PolarHBondContact OG-NH2 3.42Å; D220-R229 PolarHBondContact O-NH2 2.96Å; M222-R229 WeakPolarHBondContact O-CD 3.48Å; F223-R229 HydrophobicContact CE1-CB 4.47Å
230I87.5Confident91.6Very high32 Ų3248 Ų4816%0.16426%0.256CS..PPolyproline II helixtrans-86.1120.9171.4-58.4171.7000107.7M222 D228 Y251 R252M222-I230 HydrophobicContact CG-CB 3.92Å; M222-I230 HydrophobicContact CG-CD1 4.16Å; M222-I230 HydrophobicContact CG-CG1 4.45Å; M222-I230 PolarHBondContact O-N 3.44Å; D228-I230 PolarHBondContact O-N 2.8Å; I230-Y251 HydrophobicContact CG2-CD1 4.27Å; I230-R252 HydrophobicContact CG2-CG 3.7Å
231A87.3Confident91.5Very high27 Ų2749.5 Ų49.522%0.22326%0.264CS..  trans-143.8158.3177.700000109.9
232L91.1Very high91.6Very high60 Ų6056.4 Ų56.431%0.31429%0.294SS..PPolyproline II helixtrans-64.2138.8169.8-65.4177.5000109.3L124 D250L124-L232 HydrophobicContact CB-CB 4.34Å; L124-L232 WeakPolarHBondContact CB-O 3.45Å; L124-L232 HydrophobicContact CD2-CB 4.42Å; L124-L232 HydrophobicContact CD2-CD1 4.41Å; L124-L232 PolarHBondContact N-O 2.95Å; L232-D250 HydrophobicContact CD2-CB 3.52Å
233T93Very high91.7Very high42 Ų4256.6 Ų56.626%0.25829%0.294SS..EExtended strand (participates in β ladder)trans-97.3122.3171.8-57.60000108.8E122 Y248 Y249E122-T233 CarbonylContact O-C 3.46Å; E122-T233 WeakPolarHBondContact O-CA 3.4Å; T233-Y248 CarbonylContact O-C 3.44Å; T233-Y248 VanDerWaalsContact O-CA 3.29Å; T233-Y248 WeakPolarHBondContact O-CA 3.22Å; T233-Y249 PolarHBondContact N-O 2.97Å; T233-Y249 PolarHBondContact O-N 3.46Å
234Q94.6Very high91.9Very high40 Ų4057 Ų5719%0.18730%0.297CS..EExtended strand (participates in β ladder)trans-85.9134.5173.5178164.4-32.400109.6T121 E122 L124 E236 L245 Y248T121-Q234 WeakPolarHBondContact CA-O 3.49Å; E122-Q234 PolarHBondContact N-O 2.89Å; E122-Q234 PolarHBondContact O-N 2.85Å; L124-Q234 VanDerWaalsContact CD1-OE1 3.23Å; Q234-E236 HydrophobicContact CG-CG 3.84Å; Q234-E236 PolarHBondContact NE2-OE1 3.15Å; Q234-L245 HydrophobicContact CG-CD1 3.66Å; Q234-Y248 HydrophobicContact CB-CD1 4.11Å; Q234-Y248 HydrophobicContact CB-CE1 3.91Å; Q234-Y248 HydrophobicContact CG-CD1 4.48Å; Q234-Y248 HydrophobicContact CG-CE1 3.95Å
235I97.1Very high92.3Very high19 Ų1958 Ų5810%0.09730%0.3CS..EExtended strand (participates in β ladder)trans-118125.4176.7-51.8170.6000108.3F119 T120 T121 M246 G247 L256 W258F119-I235 HydrophobicContact CD1-CG2 4.29Å; T120-I235 WeakPolarHBondContact O-CA 3.37Å; T121-I235 HydrophobicContact CG2-CG1 4.33Å; I235-M246 HydrophobicContact CG2-CB 4.26Å; I235-M246 WeakPolarHBondContact O-CA 2.97Å; I235-M246 WeakPolarHBondContact O-CB 3.42Å; I235-M246 PolarHBondContact O-N 2.86Å; I235-G247 PolarHBondContact N-O 2.9Å; I235-G247 PolarHBondContact O-N 2.85Å; I235-L256 HydrophobicContact CD1-CD1 3.7Å; I235-W258 HydrophobicContact CB-CZ3 4.14Å; I235-W258 HydrophobicContact CD1-CZ3 3.89Å; I235-W258 HydrophobicContact CG2-CH2 3.99Å; I235-W258 HydrophobicContact CG2-CZ3 3.83Å
236E97.2Very high92.8Very high39 Ų3949.3 Ų49.318%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-129.8165.8179.7-48.8-175.6114.900111.1F119 T120 Q234 Y243 I244F119-E236 CarbonylContact C-O 3.27Å; F119-E236 VanDerWaalsContact CA-O 3.23Å; F119-E236 WeakPolarHBondContact CA-O 3.46Å; T120-E236 PolarHBondContact N-O 2.68Å; T120-E236 PolarHBondContact O-N 2.97Å; T120-E236 WeakPolarHBondContact OG1-CB 3.24Å; Q234-E236 HydrophobicContact CG-CG 3.84Å; Q234-E236 PolarHBondContact NE2-OE1 3.15Å; E236-Y243 HydrophobicContact CB-CD1 4.07Å; E236-I244 CarbonylContact C-O 3.59Å; E236-I244 VanDerWaalsContact CA-O 3.24Å; E236-I244 WeakPolarHBondContact CA-O 3.48Å; E236-I244 WeakPolarHBondContact CB-O 3.43Å
237Q97Very high93.4Very high0 Ų042 Ų420%023%0.228CC..EExtended strand (participates in β ladder)trans-132.6134.5174.2-164.9-173.741.800110Y117 H118 F119 Q239 Y243 I244 M246 Q263Y117-Q237 PolarHBondContact O-NE2 3.42Å; H118-Q237 WeakPolarHBondContact O-CA 3.39Å; H118-Q237 WeakPolarHBondContact O-CG 3.23Å; F119-Q237 HydrophobicContact CD1-CB 4.07Å; F119-Q237 HydrophobicContact CD1-CG 4.2Å; F119-Q237 HydrophobicContact CE1-CB 4.09Å; F119-Q237 HydrophobicContact CE1-CG 4.1Å; F119-Q237 HydrophobicContact CZ-CG 4.35Å; Q237-Q239 HydrophobicContact CG-CG 4.42Å; Q237-Q239 PolarHBondContact O-N 3.25Å; Q237-Y243 WeakPolarHBondContact O-CA 3.36Å; Q237-I244 PolarHBondContact N-O 2.93Å; Q237-I244 PolarHBondContact O-N 3.23Å; Q237-M246 HydrophobicContact CB-CE 3.89Å; Q237-M246 HydrophobicContact CB-CG 3.73Å; Q237-M246 HydrophobicContact CB-SD 3.79Å; Q237-Q263 PolarHBondContact NE2-O 3.44Å; Q237-Q263 PolarHBondContact OE1-O 3.43Å
238L96.4Very high93.8Very high0 Ų041.4 Ų41.40%021%0.213CC..EExtended strand (participates in β ladder)trans-72.4113.2172-178.364.7000109.7Y96 A115 Y117 H118 Y243Y96-L238 HydrophobicContact CD1-CD2 4.05Å; Y96-L238 HydrophobicContact CE1-CD1 4.43Å; Y96-L238 HydrophobicContact CE1-CD2 3.77Å; A115-L238 HydrophobicContact CB-CD2 3.95Å; Y117-L238 WeakPolarHBondContact CA-O 3.36Å; Y117-L238 PolarHBondContact N-O 3.41Å; H118-L238 PolarHBondContact O-N 3.42Å; H118-L238 VanDerWaalsContact O-N 3.15Å; L238-Y243 HydrophobicContact CB-CD1 4.21Å; L238-Y243 HydrophobicContact CB-CE1 3.8Å; L238-Y243 HydrophobicContact CD1-CD2 4.18Å; L238-Y243 HydrophobicContact CD1-CE2 3.98Å
239Q95.3Very high94.1Very high32 Ų3241.1 Ų41.115%0.1521%0.206CC..EExtended strand (participates in β ladder)trans-123.5107.6176.3-62.1-1779.400109.8Y117 Q237 D241 K242 I244 K261Y117-Q239 HydrophobicContact CD1-CG 4.35Å; Y117-Q239 HydrophobicContact CE1-CG 4.47Å; Q237-Q239 HydrophobicContact CG-CG 4.42Å; Q237-Q239 PolarHBondContact O-N 3.25Å; Q239-D241 PolarHBondContact O-N 3.45Å; Q239-D241 VanDerWaalsContact O-N 3.14Å; Q239-K242 PolarHBondContact N-O 3.41Å; Q239-K242 PolarHBondContact O-N 2.97Å; Q239-I244 HydrophobicContact CB-CG1 4.01Å; Q239-I244 HydrophobicContact CG-CG1 4.24Å; Q239-K261 PolarHBondContact NE2-O 3.31Å
240G92Very high94.2Very high31 Ų3140 Ų4032%0.3221%0.206SC..THydrogen-bonded Turntrans69.2-107.3-172.500000110.8K112 Q116K112-G240 WeakPolarHBondContact CE-O 3.38Å; Q116-G240 PolarHBondContact NE2-O 2.96Å
241D91Very high94Very high100 Ų10045.7 Ų45.754%0.53523%0.226SC..THydrogen-bonded Turntrans-114.56.3-176.2-72.6-60.3000113.3K112 Q239K112-D241 WeakPolarHBondContact CE-OD1 3.43Å; K112-D241 IonicContact NZ-OD1 2.84Å; K112-D241 PolarHBondContact NZ-OD1 3.41Å; K112-D241 IonicContact NZ-OD2 3.98Å; K112-D241 PolarHBondContact NZ-OD2 3.08Å; Q239-D241 PolarHBondContact O-N 3.45Å; Q239-D241 VanDerWaalsContact O-N 3.14Å
242K94.8Very high93.9Very high145 Ų14551.6 Ų51.663%0.6324%0.242SC*.EExtended strand (participates in β ladder)trans-136.5143.3-174-63.5-174.1179.6-176.10111.3Q239 I244Q239-K242 PolarHBondContact N-O 3.41Å; Q239-K242 PolarHBondContact O-N 2.97Å; K242-I244 HydrophobicContact CB-CD1 4.32Å
243Y95.7Very high93.8Very high31 Ų3152.1 Ų52.112%0.12225%0.251CS..EExtended strand (participates in β ladder)trans-75.2127.6164.5-76-84.3000109.6D93 W95 H118 T120 E236 Q237 L238D93-Y243 HydrophobicContact CB-CD2 4.45Å; W95-Y243 PolarHBondContact NE1-OH 3.12Å; H118-Y243 AromaticContact CE1-CE1 3.83Å; H118-Y243 AromaticContact CE1-CZ 3.73Å; H118-Y243 PolarHBondContact CE1-OH 3.25Å; H118-Y243 AromaticContact NE2-CE1 3.61Å; H118-Y243 AromaticContact NE2-CZ 3.67Å; H118-Y243 PolarHBondContact NE2-OH 3.46Å; T120-Y243 HydrophobicContact CG2-CD1 4.39Å; T120-Y243 HydrophobicContact CG2-CE1 3.56Å; E236-Y243 HydrophobicContact CB-CD1 4.07Å; Q237-Y243 WeakPolarHBondContact O-CA 3.36Å; L238-Y243 HydrophobicContact CB-CD1 4.21Å; L238-Y243 HydrophobicContact CB-CE1 3.8Å; L238-Y243 HydrophobicContact CD1-CD2 4.18Å; L238-Y243 HydrophobicContact CD1-CE2 3.98Å
244I96.7Very high93.6Very high54 Ų5455.9 Ų55.928%0.27727%0.27SS..EExtended strand (participates in β ladder)trans-110.5128.9177.5-54-60.4000107.8E236 Q237 Q239 K242 M246 K261E236-I244 CarbonylContact C-O 3.59Å; E236-I244 VanDerWaalsContact CA-O 3.24Å; E236-I244 WeakPolarHBondContact CA-O 3.48Å; E236-I244 WeakPolarHBondContact CB-O 3.43Å; Q237-I244 PolarHBondContact N-O 2.93Å; Q237-I244 PolarHBondContact O-N 3.23Å; Q239-I244 HydrophobicContact CB-CG1 4.01Å; Q239-I244 HydrophobicContact CG-CG1 4.24Å; K242-I244 HydrophobicContact CB-CD1 4.32Å; I244-M246 HydrophobicContact CB-CE 3.65Å; I244-M246 HydrophobicContact CG2-CE 3.56Å; I244-M246 WeakPolarHBondContact O-CE 3.5Å; I244-M246 PolarHBondContact O-N 3.03Å; I244-K261 HydrophobicContact CG2-CB 4.4Å; I244-K261 HydrophobicContact CG2-CD 4.16Å
245L95.8Very high93.6Very high41 Ų4158 Ų5822%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-62.7117.6176.1179.467.2000111.3Q234 Y248 Y259Q234-L245 HydrophobicContact CG-CD1 3.66Å; L245-Y248 HydrophobicContact CD1-CE1 3.98Å; L245-Y248 HydrophobicContact CD1-CE2 4.1Å; L245-Y248 HydrophobicContact CD2-CE2 3.68Å; L245-Y248 VanDerWaalsContact CD2-OH 3.3Å; L245-Y248 WeakPolarHBondContact CD2-OH 3.3Å; L245-Y248 HydrophobicContact CG-CE2 4.39Å; L245-Y259 HydrophobicContact CD2-CD2 4.27Å; L245-Y259 HydrophobicContact CD2-CE2 3.69Å; L245-Y259 HydrophobicContact CG-CD2 4.1Å; L245-Y259 HydrophobicContact CG-CE2 3.89Å
246M97.4Very high93.6Very high0 Ų061.3 Ų61.30%030%0.299CS..EExtended strand (participates in β ladder)trans-91-35.8176.8-61.1-64.5106.500111.6F119 I235 Q237 I244 W258 Y259 K261 E262F119-M246 HydrophobicContact CD1-CG 4.12Å; F119-M246 HydrophobicContact CE1-CG 3.9Å; F119-M246 HydrophobicContact CE1-SD 4.29Å; I235-M246 HydrophobicContact CG2-CB 4.26Å; I235-M246 WeakPolarHBondContact O-CA 2.97Å; I235-M246 WeakPolarHBondContact O-CB 3.42Å; I235-M246 PolarHBondContact O-N 2.86Å; Q237-M246 HydrophobicContact CB-CE 3.89Å; Q237-M246 HydrophobicContact CB-CG 3.73Å; Q237-M246 HydrophobicContact CB-SD 3.79Å; I244-M246 HydrophobicContact CB-CE 3.65Å; I244-M246 HydrophobicContact CG2-CE 3.56Å; I244-M246 WeakPolarHBondContact O-CE 3.5Å; I244-M246 PolarHBondContact O-N 3.03Å; M246-W258 HydrophobicContact CB-CE3 4.32Å; M246-W258 HydrophobicContact CB-CH2 3.48Å; M246-W258 VanDerWaalsContact CB-CH2 3.48Å; M246-W258 HydrophobicContact CB-CZ2 3.74Å; M246-W258 HydrophobicContact CB-CZ3 3.78Å; M246-W258 HydrophobicContact CG-CH2 4.17Å; M246-W258 HydrophobicContact CG-CZ2 4.29Å; M246-Y259 WeakPolarHBondContact O-CB 3.08Å; M246-Y259 WeakPolarHBondContact O-CD2 3.42Å; M246-Y259 PolarHBondContact O-N 2.83Å; M246-K261 HydrophobicContact CE-CB 3.64Å; M246-K261 HydrophobicContact SD-CB 4.21Å; M246-E262 VanDerWaalsContact SD-CA 3.53Å; M246-E262 HydrophobicContact SD-CB 3.81Å; M246-E262 PolarHBondContact SD-N 2.95Å; M246-E262 VanDerWaalsContact SD-N 3.44Å
247G96.6Very high93.5Very high0 Ų062.3 Ų62.30%031%0.309CS..EExtended strand (participates in β ladder)trans172.6-177.5-177.400000114.5I235 T257I235-G247 PolarHBondContact N-O 2.9Å; I235-G247 PolarHBondContact O-N 2.85Å; G247-T257 CarbonylContact C-O 3.53Å; G247-T257 WeakPolarHBondContact CA-O 3.47Å
248Y95.1Very high93.5Very high31 Ų3166 Ų6612%0.12232%0.322CS..EExtended strand (participates in β ladder)trans-127.8138.6173.3-63.1-75.8000110.4Q128 T233 Q234 L245 T257 Y259Q128-Y248 PolarHBondContact OE1-OH 3.46Å; T233-Y248 CarbonylContact O-C 3.44Å; T233-Y248 VanDerWaalsContact O-CA 3.29Å; T233-Y248 WeakPolarHBondContact O-CA 3.22Å; Q234-Y248 HydrophobicContact CB-CD1 4.11Å; Q234-Y248 HydrophobicContact CB-CE1 3.91Å; Q234-Y248 HydrophobicContact CG-CD1 4.48Å; Q234-Y248 HydrophobicContact CG-CE1 3.95Å; L245-Y248 HydrophobicContact CD1-CE1 3.98Å; L245-Y248 HydrophobicContact CD1-CE2 4.1Å; L245-Y248 HydrophobicContact CD2-CE2 3.68Å; L245-Y248 VanDerWaalsContact CD2-OH 3.3Å; L245-Y248 WeakPolarHBondContact CD2-OH 3.3Å; L245-Y248 HydrophobicContact CG-CE2 4.39Å; Y248-T257 PolarHBondContact N-O 3.29Å; Y248-T257 PolarHBondContact O-N 3.24Å; Y248-Y259 HydrophobicContact CD2-CE2 4.24Å; Y248-Y259 WeakPolarHBondContact CD2-OH 3.25Å; Y248-Y259 HydrophobicContact CE2-CE2 4.18Å
249Y94.5Very high93.5Very high72 Ų7270.5 Ų70.528%0.28234%0.34SS..EExtended strand (participates in β ladder)trans-106.5121169179.1-109.3000109.8T233 Y251 D254 L256T233-Y249 PolarHBondContact N-O 2.97Å; T233-Y249 PolarHBondContact O-N 3.46Å; Y249-Y251 HydrophobicContact CE1-CD2 4.44Å; Y249-D254 WeakPolarHBondContact CE2-OD1 3.49Å; Y249-D254 PolarHBondContact OH-OD1 2.97Å; Y249-L256 HydrophobicContact CD2-CB 4.25Å
250D91.6Very high93.5Very high45 Ų4575 Ų7524%0.24137%0.365CS..EExtended strand (participates in β ladder)trans-98.6107.6173.6-172.2-11000110.3L232 R252 S253 D254 N255L232-D250 HydrophobicContact CD2-CB 3.52Å; D250-R252 PolarHBondContact O-N 2.95Å; D250-R252 VanDerWaalsContact OD1-CB 3.29Å; D250-R252 WeakPolarHBondContact OD1-CB 3.33Å; D250-R252 PolarHBondContact OD1-N 2.9Å; D250-S253 WeakPolarHBondContact CB-OG 3.36Å; D250-S253 PolarHBondContact O-N 3.23Å; D250-S253 PolarHBondContact OD2-OG 2.94Å; D250-D254 WeakPolarHBondContact O-CA 3.39Å; D250-D254 PolarHBondContact O-N 2.82Å; D250-N255 PolarHBondContact N-O 2.84Å; D250-N255 PolarHBondContact O-N 2.81Å
251Y84.8Confident93.7Very high150 Ų15078.9 Ų78.959%0.58837%0.373SS*.THydrogen-bonded Turntrans-61.2-25.5177.2-176.4-93000113.2I230 Y249I230-Y251 HydrophobicContact CG2-CD1 4.27Å; Y249-Y251 HydrophobicContact CE1-CD2 4.44Å
252R85Confident93.9Very high152 Ų15277 Ų7757%0.57436%0.361SS*.THydrogen-bonded Turntrans-74.4-43.4-178.5-66.8174.448.6-174.9-9.5112.5D220 I230 D250D220-R252 IonicContact OD2-NH1 3.79Å; I230-R252 HydrophobicContact CG2-CG 3.7Å; D250-R252 PolarHBondContact O-N 2.95Å; D250-R252 VanDerWaalsContact OD1-CB 3.29Å; D250-R252 WeakPolarHBondContact OD1-CB 3.33Å; D250-R252 PolarHBondContact OD1-N 2.9Å
253S89.1Confident93.9Very high70 Ų7074.4 Ų74.449%0.4935%0.352SS..THydrogen-bonded Turntrans-97.8-2.3-177.758.90000113.1D250 N255D250-S253 WeakPolarHBondContact CB-OG 3.36Å; D250-S253 PolarHBondContact O-N 3.23Å; D250-S253 PolarHBondContact OD2-OG 2.94Å; S253-N255 PolarHBondContact O-N 3.38Å; S253-N255 VanDerWaalsContact OG-CB 3.22Å; S253-N255 WeakPolarHBondContact OG-CB 3.22Å
254D88.8Confident93.8Very high122 Ų12274.5 Ų74.565%0.65235%0.353SS*.THydrogen-bonded Turntrans48.649.6-170.1-16729.1000111.5Y249 D250Y249-D254 WeakPolarHBondContact CE2-OD1 3.49Å; Y249-D254 PolarHBondContact OH-OD1 2.97Å; D250-D254 WeakPolarHBondContact O-CA 3.39Å; D250-D254 PolarHBondContact O-N 2.82Å
255N94.7Very high93.4Very high84 Ų8474.5 Ų74.545%0.44936%0.355SS..EExtended strand (participates in β ladder)trans-122.1121.7-172.4-172.420.4000111D250 S253D250-N255 PolarHBondContact N-O 2.84Å; D250-N255 PolarHBondContact O-N 2.81Å; S253-N255 PolarHBondContact O-N 3.38Å; S253-N255 VanDerWaalsContact OG-CB 3.22Å; S253-N255 WeakPolarHBondContact OG-CB 3.22Å
256L95.7Very high93Very high88 Ų8875.8 Ų75.846%0.46138%0.378SS..EExtended strand (participates in β ladder)trans-97.2106.8172.7-179.963.6000109.6I235 Y249 W258I235-L256 HydrophobicContact CD1-CD1 3.7Å; Y249-L256 HydrophobicContact CD2-CB 4.25Å; L256-W258 HydrophobicContact CD1-CE3 4.08Å; L256-W258 HydrophobicContact CD2-CE3 4.33Å; L256-W258 HydrophobicContact CG-CE3 4.35Å
257T95.7Very high92.5Very high61 Ų6179.1 Ų79.137%0.37441%0.412SS..EExtended strand (participates in β ladder)trans-86.3111.1169.9-57.70000108.8G247 Y248 Y259G247-T257 CarbonylContact C-O 3.53Å; G247-T257 WeakPolarHBondContact CA-O 3.47Å; Y248-T257 PolarHBondContact N-O 3.29Å; Y248-T257 PolarHBondContact O-N 3.24Å; T257-Y259 HydrophobicContact CG2-CE1 3.78Å
258W96.8Very high92.2Very high77 Ų7787.1 Ų87.129%0.29245%0.447SS..EExtended strand (participates in β ladder)trans-114137.3-177-161.6-104000112.3F119 I235 M246 L256 E262F119-W258 HydrophobicContact CD1-CH2 4.31Å; F119-W258 AromaticContact CE1-CH2 3.94Å; F119-W258 HydrophobicContact CE1-CH2 3.94Å; F119-W258 HydrophobicContact CE1-CZ2 4.06Å; I235-W258 HydrophobicContact CB-CZ3 4.14Å; I235-W258 HydrophobicContact CD1-CZ3 3.89Å; I235-W258 HydrophobicContact CG2-CH2 3.99Å; I235-W258 HydrophobicContact CG2-CZ3 3.83Å; M246-W258 HydrophobicContact CB-CE3 4.32Å; M246-W258 HydrophobicContact CB-CH2 3.48Å; M246-W258 VanDerWaalsContact CB-CH2 3.48Å; M246-W258 HydrophobicContact CB-CZ2 3.74Å; M246-W258 HydrophobicContact CB-CZ3 3.78Å; M246-W258 HydrophobicContact CG-CH2 4.17Å; M246-W258 HydrophobicContact CG-CZ2 4.29Å; L256-W258 HydrophobicContact CD1-CE3 4.08Å; L256-W258 HydrophobicContact CD2-CE3 4.33Å; L256-W258 HydrophobicContact CG-CE3 4.35Å; W258-E262 PolarHBondContact NE1-OE2 2.94Å
259Y96.9Very high92Very high95 Ų9590.4 Ų90.437%0.37347%0.47SS..  trans-101.80-173.5-58.9-48.6000115L245 M246 Y248 T257 K261L245-Y259 HydrophobicContact CD2-CD2 4.27Å; L245-Y259 HydrophobicContact CD2-CE2 3.69Å; L245-Y259 HydrophobicContact CG-CD2 4.1Å; L245-Y259 HydrophobicContact CG-CE2 3.89Å; M246-Y259 WeakPolarHBondContact O-CB 3.08Å; M246-Y259 WeakPolarHBondContact O-CD2 3.42Å; M246-Y259 PolarHBondContact O-N 2.83Å; Y248-Y259 HydrophobicContact CD2-CE2 4.24Å; Y248-Y259 WeakPolarHBondContact CD2-OH 3.25Å; Y248-Y259 HydrophobicContact CE2-CE2 4.18Å; T257-Y259 HydrophobicContact CG2-CE1 3.78Å; Y259-K261 VanDerWaalsContact C-N 3.33Å; Y259-K261 PolarHBondContact O-N 3.16Å
260N94.5Very high91.7Very high127 Ų12787.7 Ų87.768%0.67946%0.462SS*.  trans54.544.2178.7-55.8-59.6000113.3E262N260-E262 VanDerWaalsContact C-OE2 3.29Å; N260-E262 WeakPolarHBondContact CA-OE2 3.42Å
261K96.2Very high91.5Very high111 Ų11188.6 Ų88.648%0.48347%0.47SS..  trans-106.52-179.6-69.9-179.5-177.3171.30112.7Q239 I244 M246 Y259Q239-K261 PolarHBondContact NE2-O 3.31Å; I244-K261 HydrophobicContact CG2-CB 4.4Å; I244-K261 HydrophobicContact CG2-CD 4.16Å; M246-K261 HydrophobicContact CE-CB 3.64Å; M246-K261 HydrophobicContact SD-CB 4.21Å; Y259-K261 VanDerWaalsContact C-N 3.33Å; Y259-K261 PolarHBondContact O-N 3.16Å
262E95Very high91.3Very high60 Ų6087.3 Ų87.328%0.2847%0.473SS..  trans-66.7142.8-175.567.1-73172.200112.2F119 M246 W258 N260 F264F119-E262 HydrophobicContact CE1-CB 4.23Å; F119-E262 HydrophobicContact CZ-CB 4.02Å; M246-E262 VanDerWaalsContact SD-CA 3.53Å; M246-E262 HydrophobicContact SD-CB 3.81Å; M246-E262 PolarHBondContact SD-N 2.95Å; M246-E262 VanDerWaalsContact SD-N 3.44Å; W258-E262 PolarHBondContact NE1-OE2 2.94Å; N260-E262 VanDerWaalsContact C-OE2 3.29Å; N260-E262 WeakPolarHBondContact CA-OE2 3.42Å; E262-F264 HydrophobicContact CB-CE2 4.22Å; E262-F264 HydrophobicContact CB-CZ 4.34Å; E262-F264 HydrophobicContact CG-CD2 4.35Å; E262-F264 HydrophobicContact CG-CE2 3.44Å; E262-F264 VanDerWaalsContact CG-CE2 3.44Å; E262-F264 HydrophobicContact CG-CZ 3.83Å
263Q94.8Very high91.2Very high92 Ų9286.2 Ų86.243%0.4348%0.475SS..  trans-121.3141.9172.7-67-174.414.800109.1Y117 Q237Y117-Q263 HydrophobicContact CD1-CB 3.74Å; Y117-Q263 WeakPolarHBondContact CD1-O 3.29Å; Y117-Q263 HydrophobicContact CE1-CB 3.49Å; Y117-Q263 VanDerWaalsContact CE1-CB 3.49Å; Q237-Q263 PolarHBondContact NE2-O 3.44Å; Q237-Q263 PolarHBondContact OE1-O 3.43Å
264F93.2Very high90.7Very high33 Ų3386.5 Ų86.515%0.14547%0.474CS..  trans-123.5153.6176.5-62.2-77.3000110I84 F119 E262 G266 G267 K268 V269 P270I84-F264 HydrophobicContact CD1-CD1 4.37Å; I84-F264 HydrophobicContact CD1-CE1 3.8Å; I84-F264 HydrophobicContact CG1-CE1 4.28Å; F119-F264 HydrophobicContact CE2-CE1 4.08Å; F119-F264 HydrophobicContact CZ-CE1 4.22Å; F119-F264 HydrophobicContact CZ-CZ 4.28Å; E262-F264 HydrophobicContact CB-CE2 4.22Å; E262-F264 HydrophobicContact CB-CZ 4.34Å; E262-F264 HydrophobicContact CG-CD2 4.35Å; E262-F264 HydrophobicContact CG-CE2 3.44Å; E262-F264 VanDerWaalsContact CG-CE2 3.44Å; E262-F264 HydrophobicContact CG-CZ 3.83Å; F264-G266 PolarHBondContact O-N 3.01Å; F264-G267 PolarHBondContact O-N 2.74Å; F264-K268 WeakPolarHBondContact CB-O 3.35Å; F264-V269 HydrophobicContact CD2-CG2 4.03Å; F264-V269 HydrophobicContact CE2-CB 4.38Å; F264-V269 HydrophobicContact CE2-CG2 3.69Å; F264-V269 HydrophobicContact CZ-CG1 4.43Å; F264-V269 HydrophobicContact CZ-CG2 4.34Å; F264-P270 HydrophobicContact CD1-CG 4.29Å
265V89.5Confident90.3Very high53 Ų5386.6 Ų86.632%0.32147%0.474SS..THydrogen-bonded Turntrans-58114.9175.4-177.70000109.5R81 Y117R81-V265 HydrophobicContact CB-CB 4.1Å; R81-V265 HydrophobicContact CB-CG1 4.03Å; R81-V265 VanDerWaalsContact CB-O 3.31Å; R81-V265 WeakPolarHBondContact CB-O 3.46Å; Y117-V265 HydrophobicContact CD2-CG2 3.63Å; Y117-V265 HydrophobicContact CE2-CG2 4.04Å
266G86.7Confident89.8Confident68 Ų6889.7 Ų89.770%0.70149%0.489SS*.THydrogen-bonded Turntrans84.710-177.400000115.4F264 K268F264-G266 PolarHBondContact O-N 3.01Å; G266-K268 VanDerWaalsContact C-N 3.28Å; G266-K268 PolarHBondContact O-N 3.02Å
267G88.3Confident89.2Confident70 Ų7092 Ų9272%0.72250%0.497SS*.SBendtrans73.214171.200000115.2F264F264-G267 PolarHBondContact O-N 2.74Å
268K89.2Confident88.5Confident168 Ų16896.5 Ų96.573%0.7352%0.519SS*.SBendtrans-131.9145.3176.8-63.7-172.5179.6-174.40109.9F264 G266 P270F264-K268 WeakPolarHBondContact CB-O 3.35Å; G266-K268 VanDerWaalsContact C-N 3.28Å; G266-K268 PolarHBondContact O-N 3.02Å; K268-P270 WeakPolarHBondContact O-CD 3.41Å
269V90.8Very high87.5Confident100 Ų100100.1 Ų100.161%0.60654%0.539SS*.PPolyproline II helixtrans-59.6125.6172.1-172.50000108.6F264F264-V269 HydrophobicContact CD2-CG2 4.03Å; F264-V269 HydrophobicContact CE2-CB 4.38Å; F264-V269 HydrophobicContact CE2-CG2 3.69Å; F264-V269 HydrophobicContact CZ-CG1 4.43Å; F264-V269 HydrophobicContact CZ-CG2 4.34Å
270P88.4Confident86.5Confident16 Ų16104.3 Ų104.310%0.10455%0.554CS.*PPolyproline II helixtrans-57.3138.5172-26.835.7000111.4R81 I84 F264 K268R81-P270 WeakPolarHBondContact O-CB 3.22Å; I84-P270 HydrophobicContact CD1-CB 4.5Å; I84-P270 HydrophobicContact CD1-CG 4.13Å; I84-P270 HydrophobicContact CG1-CG 3.97Å; F264-P270 HydrophobicContact CD1-CG 4.29Å; K268-P270 WeakPolarHBondContact O-CD 3.41Å
271P86.9Confident85.5Confident63 Ų63106.6 Ų106.641%0.40957%0.565SS.*PPolyproline II helixtrans-68.3144.2171.231-34.6000110.2
272D81.8Confident84.4Confident124 Ų124109.1 Ų109.166%0.66357%0.571SS**SBendtrans-75.8-25.5176.257.8-23.1000112.8R55R55-D272 WeakPolarHBondContact CG-O 3.45Å
273E81.3Confident83.8Confident129 Ų129110.6 Ų110.660%0.60358%0.584SS**SBendtrans-137.3161.7174.765.7176-177.400113.5I275E273-I275 PolarHBondContact O-N 3.37Å
274P80Confident83.3Confident75 Ų75110.5 Ų110.549%0.48759%0.587SS.*  trans-63117.9169-18.632.1000111I276P274-I276 PolarHBondContact O-N 2.84Å
275I81.1Confident83Confident125 Ų125116 Ų11664%0.64161%0.61SS**  trans-70.3104.6171.4-55.8171000108E273 Q277E273-I275 PolarHBondContact O-N 3.37Å; I275-Q277 HydrophobicContact CG2-CG 4.02Å; I275-Q277 PolarHBondContact O-N 3.42Å
276I83.9Confident83Confident148 Ų148117.7 Ų117.776%0.75962%0.621SS**  trans-74.9115.3173.2-56.5175.2000107.5P274P274-I276 PolarHBondContact O-N 2.84Å
277Q82.9Confident83.2Confident137 Ų137118.3 Ų118.364%0.6461%0.608SS**  trans-109.5110.3173.3-65.3-172.6-2.800108.9I275 Q279I275-Q277 HydrophobicContact CG2-CG 4.02Å; I275-Q277 PolarHBondContact O-N 3.42Å; Q277-Q279 PolarHBondContact O-N 3.38Å
278D79.8Confident83.3Confident155 Ų155116.8 Ų116.883%0.82958%0.58SS**  trans-68120.9172.8-66.4-38.3000109.4
279Q76.1Confident83.4Confident153 Ų153113 Ų11372%0.71557%0.567SS**  trans-120.5129.9175.4-65.3-168.2-1.900109.9Q277 I281Q277-Q279 PolarHBondContact O-N 3.38Å; Q279-I281 PolarHBondContact O-N 3.02Å
280W75.3Confident83.6Confident184 Ų184112.9 Ų112.970%0.69756%0.562SS**  trans-65.3118.7172.1-63.898.2000110.2R282W280-R282 PolarHBondContact O-N 3.2Å
281I75.5Confident83.8Confident175 Ų175117.5 Ų117.590%0.89758%0.581SS**  trans-70118.3171.9-57.1173.5000107.5Q279Q279-I281 PolarHBondContact O-N 3.02Å
282R73Confident84.2Confident164 Ų164115.2 Ų115.262%0.61957%0.566SS**  trans-114.5140.1-177.6-70174.7-72.5173.7-4.7110.3W280 D348W280-R282 PolarHBondContact O-N 3.2Å; R282-D348 WeakPolarHBondContact CD-OD2 3.39Å; R282-D348 IonicContact CZ-OD2 3.48Å; R282-D348 IonicContact NE-OD2 3.62Å; R282-D348 IonicContact NH1-OD2 2.66Å; R282-D348 PolarHBondContact NH1-OD2 3.18Å
283V81.2Confident84.8Confident90 Ų90117.2 Ų117.255%0.54556%0.564SS.*  trans-70.7136.4166.9-177.10000108.2K285V283-K285 PolarHBondContact O-N 3.03Å
284N85.4Confident85.5Confident91 Ų91114.6 Ų114.649%0.48756%0.557SS.*  trans-57.8126.9174.5-178.7-24.2000109.9T286 I287 Y288N284-T286 PolarHBondContact O-N 2.86Å; N284-T286 PolarHBondContact OD1-N 2.94Å; N284-I287 HydrophobicContact CB-CB 4.31Å; N284-I287 HydrophobicContact CB-CD1 4.03Å; N284-I287 HydrophobicContact CB-CG1 4.09Å; N284-I287 PolarHBondContact O-N 3.1Å; N284-I287 VanDerWaalsContact O-N 3.08Å; N284-Y288 PolarHBondContact O-N 2.93Å
285K85.3Confident86.3Confident147 Ų147111.1 Ų111.164%0.63954%0.535SS*.Hα-helixtrans-51.9-40.6179.9-66.3-175.5-179.7-178.60112.7V283 Y288 I289V283-K285 PolarHBondContact O-N 3.03Å; K285-Y288 PolarHBondContact O-N 3.46Å; K285-I289 WeakPolarHBondContact O-CD1 3.29Å; K285-I289 WeakPolarHBondContact O-CG1 3.49Å; K285-I289 PolarHBondContact O-N 2.94Å
286T90.3Very high87Confident89 Ų89109.1 Ų109.155%0.54653%0.525SS..Hα-helixtrans-64.9-44.7179.8-54.40000111.7N284 I289 I290N284-T286 PolarHBondContact O-N 2.86Å; N284-T286 PolarHBondContact OD1-N 2.94Å; T286-I289 PolarHBondContact O-N 2.96Å; T286-I290 HydrophobicContact CG2-CD1 4.34Å; T286-I290 WeakPolarHBondContact O-CG1 3.28Å; T286-I290 PolarHBondContact O-N 3.07Å; T286-I290 VanDerWaalsContact O-N 3.14Å
287I90.6Very high87.6Confident82 Ų82107.6 Ų107.642%0.42152%0.517SS..Hα-helixtrans-65-45.6179.3-64179.2000109.5N284 I289 I290 F291N284-I287 HydrophobicContact CB-CB 4.31Å; N284-I287 HydrophobicContact CB-CD1 4.03Å; N284-I287 HydrophobicContact CB-CG1 4.09Å; N284-I287 PolarHBondContact O-N 3.1Å; N284-I287 VanDerWaalsContact O-N 3.08Å; I287-I289 VanDerWaalsContact C-N 3.34Å; I287-I289 PolarHBondContact O-N 3.03Å; I287-I290 PolarHBondContact O-N 2.79Å; I287-F291 HydrophobicContact CG2-CD2 3.65Å; I287-F291 HydrophobicContact CG2-CE2 3.55Å; I287-F291 VanDerWaalsContact O-CD2 3.29Å; I287-F291 WeakPolarHBondContact O-CD2 3.43Å; I287-F291 PolarHBondContact O-N 3.09Å
288Y90.5Very high88.2Confident37 Ų37102.1 Ų102.115%0.14550%0.498CS..Hα-helixtrans-56.3-47.6176.4175.7-118.5000112.2N284 K285 I290 F291 C292 F341 G344N284-Y288 PolarHBondContact O-N 2.93Å; K285-Y288 PolarHBondContact O-N 3.46Å; Y288-I290 VanDerWaalsContact C-N 3.3Å; Y288-I290 PolarHBondContact O-N 2.9Å; Y288-F291 PolarHBondContact O-N 2.91Å; Y288-F291 VanDerWaalsContact O-N 3.16Å; Y288-C292 WeakPolarHBondContact CE2-SG 3.36Å; Y288-C292 PolarHBondContact O-N 2.85Å; Y288-C292 PolarHBondContact O-SG 2.77Å; Y288-C292 VanDerWaalsContact O-SG 3.41Å; Y288-F341 PolarHBondContact OH-O 2.82Å; Y288-G344 WeakPolarHBondContact CD2-O 3.27Å; Y288-G344 WeakPolarHBondContact CE1-O 3.49Å; Y288-G344 VanDerWaalsContact CE2-O 3.25Å; Y288-G344 WeakPolarHBondContact CE2-O 3.32Å; Y288-G344 VanDerWaalsContact CZ-O 3.28Å
289I91.6Very high89Confident90 Ų9096 Ų9646%0.46247%0.465SS..Hα-helixtrans-57.9-42.7177.8-70.5163.5000111.3K285 T286 I287 C292 W293K285-I289 WeakPolarHBondContact O-CD1 3.29Å; K285-I289 WeakPolarHBondContact O-CG1 3.49Å; K285-I289 PolarHBondContact O-N 2.94Å; T286-I289 PolarHBondContact O-N 2.96Å; I287-I289 VanDerWaalsContact C-N 3.34Å; I287-I289 PolarHBondContact O-N 3.03Å; I289-C292 WeakPolarHBondContact O-CB 3.32Å; I289-C292 PolarHBondContact O-N 2.84Å; I289-W293 PolarHBondContact O-N 2.94Å
290I94.5Very high90Very high96 Ų9691.1 Ų91.149%0.49245%0.45SS..Hα-helixtrans-61.5-46.6177.3-66.9165.2000110.9T286 I287 Y288 C292 W293 T294T286-I290 HydrophobicContact CG2-CD1 4.34Å; T286-I290 WeakPolarHBondContact O-CG1 3.28Å; T286-I290 PolarHBondContact O-N 3.07Å; T286-I290 VanDerWaalsContact O-N 3.14Å; I287-I290 PolarHBondContact O-N 2.79Å; Y288-I290 VanDerWaalsContact C-N 3.3Å; Y288-I290 PolarHBondContact O-N 2.9Å; I290-C292 VanDerWaalsContact C-N 3.33Å; I290-C292 PolarHBondContact O-N 2.84Å; I290-W293 PolarHBondContact O-N 3.35Å; I290-T294 WeakPolarHBondContact O-CG2 3.35Å; I290-T294 PolarHBondContact O-N 3.03Å; I290-T294 PolarHBondContact O-OG1 2.76Å
291F94Very high91Very high114 Ų11489 Ų8950%0.545%0.446SS..Hα-helixtrans-64.2-36.2177.1-83.3-75.8000112.8I287 Y288 T294 A295 I340I287-F291 HydrophobicContact CG2-CD2 3.65Å; I287-F291 HydrophobicContact CG2-CE2 3.55Å; I287-F291 VanDerWaalsContact O-CD2 3.29Å; I287-F291 WeakPolarHBondContact O-CD2 3.43Å; I287-F291 PolarHBondContact O-N 3.09Å; Y288-F291 PolarHBondContact O-N 2.91Å; Y288-F291 VanDerWaalsContact O-N 3.16Å; F291-T294 WeakPolarHBondContact CA-OG1 3.49Å; F291-T294 PolarHBondContact O-OG1 3.26Å; F291-A295 WeakPolarHBondContact O-CB 3.47Å; F291-A295 PolarHBondContact O-N 3.19Å; F291-I340 HydrophobicContact CB-CG2 3.98Å
292C94.1Very high92Very high15 Ų1580.9 Ų80.910%0.10141%0.406CS..Hα-helixtrans-62.7-45172.6-74.30000111.7Y288 I289 I290 A295 L296 F341Y288-C292 WeakPolarHBondContact CE2-SG 3.36Å; Y288-C292 PolarHBondContact O-N 2.85Å; Y288-C292 PolarHBondContact O-SG 2.77Å; Y288-C292 VanDerWaalsContact O-SG 3.41Å; I289-C292 WeakPolarHBondContact O-CB 3.32Å; I289-C292 PolarHBondContact O-N 2.84Å; I290-C292 VanDerWaalsContact C-N 3.33Å; I290-C292 PolarHBondContact O-N 2.84Å; C292-A295 PolarHBondContact O-N 3.29Å; C292-L296 WeakPolarHBondContact O-CG 3.43Å; C292-L296 PolarHBondContact O-N 2.96Å; C292-F341 HydrophobicContact CB-CD1 4.24Å; C292-F341 HydrophobicContact CB-CE1 3.6Å; C292-F341 HydrophobicContact CB-CZ 4.16Å; C292-F341 WeakPolarHBondContact O-CZ 3.29Å; C292-F341 VanDerWaalsContact SG-CD1 3.59Å; C292-F341 VanDerWaalsContact SG-CE1 3.6Å
293W95.5Very high93.1Very high166 Ų16677.1 Ų77.163%0.62940%0.397SS*.Hα-helixtrans-63.3-44.7177.7-83.3111.7000112.6I289 I290 A295 L296 I297I289-W293 PolarHBondContact O-N 2.94Å; I290-W293 PolarHBondContact O-N 3.35Å; W293-A295 VanDerWaalsContact C-N 3.32Å; W293-A295 PolarHBondContact O-N 3.45Å; W293-L296 HydrophobicContact CE3-CD1 4.24Å; W293-L296 HydrophobicContact CZ3-CD1 4.41Å; W293-L296 PolarHBondContact O-N 2.64Å; W293-I297 WeakPolarHBondContact O-CG1 3.48Å; W293-I297 PolarHBondContact O-N 3.21Å; W293-I297 VanDerWaalsContact O-N 3.09Å
294T95.4Very high93.8Very high74 Ų7478.3 Ų78.345%0.45440%0.399SS..Hα-helixtrans-65.9-36.6176.956.40000111.6I290 F291 I297 G298I290-T294 WeakPolarHBondContact O-CG2 3.35Å; I290-T294 PolarHBondContact O-N 3.03Å; I290-T294 PolarHBondContact O-OG1 2.76Å; F291-T294 WeakPolarHBondContact CA-OG1 3.49Å; F291-T294 PolarHBondContact O-OG1 3.26Å; T294-I297 PolarHBondContact O-N 2.81Å; T294-G298 PolarHBondContact O-N 2.91Å
295A95.7Very high94.2Very high1 Ų175.6 Ų75.61%0.00839%0.387CS..Hα-helixtrans-63.3-42.717300000112.2F291 C292 W293 I297 G298 I299 M337 I340 F341F291-A295 WeakPolarHBondContact O-CB 3.47Å; F291-A295 PolarHBondContact O-N 3.19Å; C292-A295 PolarHBondContact O-N 3.29Å; W293-A295 VanDerWaalsContact C-N 3.32Å; W293-A295 PolarHBondContact O-N 3.45Å; A295-I297 PolarHBondContact O-N 3.24Å; A295-G298 PolarHBondContact O-N 3.5Å; A295-I299 VanDerWaalsContact O-CG1 3.27Å; A295-I299 WeakPolarHBondContact O-CG1 3.43Å; A295-I299 PolarHBondContact O-N 3.19Å; A295-M337 HydrophobicContact CB-CB 4.34Å; A295-M337 HydrophobicContact CB-SD 4.23Å; A295-I340 HydrophobicContact CB-CB 4.36Å; A295-I340 HydrophobicContact CB-CD1 4.04Å; A295-I340 HydrophobicContact CB-CG2 4.42Å; A295-F341 HydrophobicContact CB-CE2 3.73Å; A295-F341 HydrophobicContact CB-CZ 4.08Å
296L96.2Very high94.6Very high83 Ų8370.7 Ų70.744%0.43537%0.368SS..Hα-helixtrans-60.1-45.1175.5-73.7179.6000112C292 W293 G298 I299 A300 F341C292-L296 WeakPolarHBondContact O-CG 3.43Å; C292-L296 PolarHBondContact O-N 2.96Å; W293-L296 HydrophobicContact CE3-CD1 4.24Å; W293-L296 HydrophobicContact CZ3-CD1 4.41Å; W293-L296 PolarHBondContact O-N 2.64Å; L296-G298 VanDerWaalsContact C-N 3.32Å; L296-G298 PolarHBondContact O-N 3.41Å; L296-I299 PolarHBondContact O-N 3.04Å; L296-A300 WeakPolarHBondContact O-CB 3.34Å; L296-A300 PolarHBondContact O-N 3.36Å; L296-F341 HydrophobicContact CD2-CE1 4.47Å; L296-F341 HydrophobicContact CD2-CE2 4.49Å; L296-F341 HydrophobicContact CD2-CZ 3.75Å; L296-F341 HydrophobicContact CG-CZ 3.84Å
297I96.9Very high94.8Very high116 Ų11670.5 Ų70.560%0.59537%0.366SS*.Hα-helixtrans-61.6-43.8176.6-65.5166.6000110W293 T294 A295 A300 F301W293-I297 WeakPolarHBondContact O-CG1 3.48Å; W293-I297 PolarHBondContact O-N 3.21Å; W293-I297 VanDerWaalsContact O-N 3.09Å; T294-I297 PolarHBondContact O-N 2.81Å; A295-I297 PolarHBondContact O-N 3.24Å; I297-A300 PolarHBondContact O-N 3.19Å; I297-F301 WeakPolarHBondContact O-CB 3.41Å; I297-F301 PolarHBondContact O-N 2.82Å
298G95.9Very high94.9Very high23 Ų2371.7 Ų71.724%0.23737%0.369CS..Hα-helixtrans-60.8-44.5176.300000113.2T294 A295 L296 F301 A302T294-G298 PolarHBondContact O-N 2.91Å; A295-G298 PolarHBondContact O-N 3.5Å; L296-G298 VanDerWaalsContact C-N 3.32Å; L296-G298 PolarHBondContact O-N 3.41Å; G298-F301 PolarHBondContact O-N 3.17Å; G298-A302 WeakPolarHBondContact O-CB 3.31Å; G298-A302 PolarHBondContact O-N 2.62Å
299I96.8Very high95Very high26 Ų2671 Ų7113%0.13337%0.367CS..Hα-helixtrans-63.1-47.7176.4-68.6164.9000110.3A295 L296 F301 A302 L303 V334 M337 I338 F341A295-I299 VanDerWaalsContact O-CG1 3.27Å; A295-I299 WeakPolarHBondContact O-CG1 3.43Å; A295-I299 PolarHBondContact O-N 3.19Å; L296-I299 PolarHBondContact O-N 3.04Å; I299-F301 VanDerWaalsContact C-N 3.34Å; I299-F301 PolarHBondContact O-N 3.09Å; I299-A302 PolarHBondContact O-N 3.48Å; I299-L303 HydrophobicContact CG2-CD1 3.85Å; I299-L303 HydrophobicContact CG2-CG 4.28Å; I299-L303 WeakPolarHBondContact O-CB 3.19Å; I299-L303 VanDerWaalsContact O-CG 3.3Å; I299-L303 WeakPolarHBondContact O-CG 3.46Å; I299-L303 PolarHBondContact O-N 2.97Å; I299-V334 HydrophobicContact CG2-CG1 4.42Å; I299-M337 HydrophobicContact CD1-CB 3.74Å; I299-M337 HydrophobicContact CG1-CB 3.4Å; I299-M337 HydrophobicContact CG1-CG 4.14Å; I299-I338 HydrophobicContact CD1-CG1 4.21Å; I299-F341 HydrophobicContact CD1-CE2 4.11Å
300A96.7Very high94.9Very high50 Ų5069.7 Ų69.741%0.41337%0.366SS..Hα-helixtrans-58.4-46.2178.800000111.5L296 I297 L303 I304L296-A300 WeakPolarHBondContact O-CB 3.34Å; L296-A300 PolarHBondContact O-N 3.36Å; I297-A300 PolarHBondContact O-N 3.19Å; A300-L303 PolarHBondContact O-N 3.39Å; A300-I304 VanDerWaalsContact O-CG1 3.27Å; A300-I304 WeakPolarHBondContact O-CG1 3.29Å; A300-I304 PolarHBondContact O-N 2.99Å
301F96.7Very high94.7Very high139 Ų13969.6 Ų69.661%0.6137%0.373SS*.Hα-helixtrans-62.5-44176.4-177.3-104.8000112.4I297 G298 I299 L303 I304 C305I297-F301 WeakPolarHBondContact O-CB 3.41Å; I297-F301 PolarHBondContact O-N 2.82Å; G298-F301 PolarHBondContact O-N 3.17Å; I299-F301 VanDerWaalsContact C-N 3.34Å; I299-F301 PolarHBondContact O-N 3.09Å; F301-L303 VanDerWaalsContact C-N 3.34Å; F301-L303 PolarHBondContact O-N 3.3Å; F301-I304 PolarHBondContact O-N 2.68Å; F301-C305 PolarHBondContact O-N 3.42Å; F301-C305 PolarHBondContact O-SG 2.69Å; F301-C305 VanDerWaalsContact O-SG 3.39Å
302A95.7Very high94.6Very high6 Ų668.6 Ų68.65%0.0537%0.368CS..Hα-helixtrans-62.2-40.8177.900000112.2G298 I299 C305 L306 L330 V334G298-A302 WeakPolarHBondContact O-CB 3.31Å; G298-A302 PolarHBondContact O-N 2.62Å; I299-A302 PolarHBondContact O-N 3.48Å; A302-C305 PolarHBondContact O-N 3.19Å; A302-L306 WeakPolarHBondContact O-CB 3.18Å; A302-L306 PolarHBondContact O-N 3.49Å; A302-L330 HydrophobicContact CB-CD2 4.24Å; A302-V334 HydrophobicContact CB-CG2 3.75Å
303L95.9Very high94.2Very high85 Ų8573.7 Ų73.745%0.44539%0.385SS..Hα-helixtrans-66.6-42176.4-70174.7000112.1I299 A300 F301 C305 L306 V307 V334I299-L303 HydrophobicContact CG2-CD1 3.85Å; I299-L303 HydrophobicContact CG2-CG 4.28Å; I299-L303 WeakPolarHBondContact O-CB 3.19Å; I299-L303 VanDerWaalsContact O-CG 3.3Å; I299-L303 WeakPolarHBondContact O-CG 3.46Å; I299-L303 PolarHBondContact O-N 2.97Å; A300-L303 PolarHBondContact O-N 3.39Å; F301-L303 VanDerWaalsContact C-N 3.34Å; F301-L303 PolarHBondContact O-N 3.3Å; L303-C305 VanDerWaalsContact C-N 3.34Å; L303-C305 PolarHBondContact O-N 3.42Å; L303-L306 PolarHBondContact O-N 3.44Å; L303-V307 WeakPolarHBondContact O-CG2 3.22Å; L303-V307 PolarHBondContact O-N 3.42Å; L303-V334 HydrophobicContact CD2-CG2 4.41Å
304I96.3Very high93.7Very high114 Ų11471.3 Ų71.359%0.58539%0.392SS*.Hα-helixtrans-59.2-47.3174.6-69.4163.9000110.4A300 F301 L306 V307 F308A300-I304 VanDerWaalsContact O-CG1 3.27Å; A300-I304 WeakPolarHBondContact O-CG1 3.29Å; A300-I304 PolarHBondContact O-N 2.99Å; F301-I304 PolarHBondContact O-N 2.68Å; I304-L306 VanDerWaalsContact C-N 3.3Å; I304-L306 PolarHBondContact O-N 3.44Å; I304-V307 PolarHBondContact O-N 3.15Å; I304-F308 WeakPolarHBondContact O-CB 3.48Å; I304-F308 PolarHBondContact O-N 3.23Å
305C94.3Very high93.3Very high34 Ų3475.7 Ų75.723%0.2340%0.401CS..Hα-helixtrans-61.5-37.9176.4-73.30000112.4F301 A302 L303 F308 N309 L330F301-C305 PolarHBondContact O-N 3.42Å; F301-C305 PolarHBondContact O-SG 2.69Å; F301-C305 VanDerWaalsContact O-SG 3.39Å; A302-C305 PolarHBondContact O-N 3.19Å; L303-C305 VanDerWaalsContact C-N 3.34Å; L303-C305 PolarHBondContact O-N 3.42Å; C305-F308 PolarHBondContact O-N 2.84Å; C305-N309 WeakPolarHBondContact O-CB 3.21Å; C305-N309 VanDerWaalsContact O-CG 3.32Å; C305-N309 PolarHBondContact O-N 2.87Å; C305-N309 PolarHBondContact O-ND2 2.71Å; C305-L330 HydrophobicContact CB-CD1 3.72Å; C305-L330 HydrophobicContact CB-CD2 4.05Å
306L94.1Very high92.9Very high45 Ų4582.9 Ų82.924%0.23643%0.432CS..Hα-helixtrans-67.9-45.1177.8-170.4148.6000111.1A302 L303 I304 F308 N309 C310 L330A302-L306 WeakPolarHBondContact O-CB 3.18Å; A302-L306 PolarHBondContact O-N 3.49Å; L303-L306 PolarHBondContact O-N 3.44Å; I304-L306 VanDerWaalsContact C-N 3.3Å; I304-L306 PolarHBondContact O-N 3.44Å; L306-F308 VanDerWaalsContact C-N 3.34Å; L306-F308 PolarHBondContact O-N 3.38Å; L306-N309 PolarHBondContact O-N 2.94Å; L306-C310 WeakPolarHBondContact O-CB 3.39Å; L306-C310 PolarHBondContact O-N 2.83Å; L306-C310 PolarHBondContact O-SG 2.92Å; L306-L330 HydrophobicContact CB-CD1 4.19Å; L306-L330 HydrophobicContact CD1-CB 4.43Å
307V93.9Very high92.4Very high85 Ų8585.4 Ų85.452%0.51544%0.444SS..Hα-helixtrans-60.7-45174.4172.20000110.4L303 I304 N309 C310 C311L303-V307 WeakPolarHBondContact O-CG2 3.22Å; L303-V307 PolarHBondContact O-N 3.42Å; I304-V307 PolarHBondContact O-N 3.15Å; V307-N309 PolarHBondContact O-N 2.61Å; V307-C310 PolarHBondContact O-N 3.26Å; V307-C311 WeakPolarHBondContact O-CB 3.14Å; V307-C311 PolarHBondContact O-N 2.9Å; V307-C311 PolarHBondContact O-SG 3.25Å; V307-C311 VanDerWaalsContact O-SG 3.33Å
308F93.7Very high91.8Very high107 Ų10780.6 Ų80.647%0.46942%0.419SS..Hα-helixtrans-58.1-48.9176.2-179.3-95.2000112.1I304 C305 L306 C310 C311 F312 I318I304-F308 WeakPolarHBondContact O-CB 3.48Å; I304-F308 PolarHBondContact O-N 3.23Å; C305-F308 PolarHBondContact O-N 2.84Å; L306-F308 VanDerWaalsContact C-N 3.34Å; L306-F308 PolarHBondContact O-N 3.38Å; F308-C310 VanDerWaalsContact C-N 3.28Å; F308-C310 PolarHBondContact O-N 3.44Å; F308-C311 PolarHBondContact O-N 2.88Å; F308-F312 AromaticContact CD2-CD2 3.5Å; F308-F312 HydrophobicContact CD2-CD2 3.5Å; F308-F312 VanDerWaalsContact CD2-CD2 3.5Å; F308-F312 AromaticContact CD2-CE2 3.65Å; F308-F312 HydrophobicContact CD2-CE2 3.65Å; F308-F312 AromaticContact CE2-CD2 3.5Å; F308-F312 HydrophobicContact CE2-CD2 3.5Å; F308-F312 AromaticContact CE2-CE2 3.66Å; F308-F312 HydrophobicContact CE2-CE2 3.66Å; F308-F312 HydrophobicContact CE2-CG 4.38Å; F308-F312 HydrophobicContact CG-CD2 4.13Å; F308-F312 HydrophobicContact CZ-CD2 4.14Å; F308-F312 WeakPolarHBondContact O-CD2 3.42Å; F308-F312 PolarHBondContact O-N 3.28Å; F308-I318 HydrophobicContact CD1-CD1 4.45Å; F308-I318 HydrophobicContact CE1-CD1 3.8Å; F308-I318 HydrophobicContact CZ-CD1 4.23Å
309N91.4Very high91.3Very high21 Ų2184.6 Ų84.611%0.11243%0.432CS..Hα-helixtrans-62-35.4177.3-76.9-29.7000112.6C305 L306 V307 R313 N327C305-N309 WeakPolarHBondContact O-CB 3.21Å; C305-N309 VanDerWaalsContact O-CG 3.32Å; C305-N309 PolarHBondContact O-N 2.87Å; C305-N309 PolarHBondContact O-ND2 2.71Å; L306-N309 PolarHBondContact O-N 2.94Å; V307-N309 PolarHBondContact O-N 2.61Å; N309-R313 WeakPolarHBondContact O-CA 3.4Å; N309-R313 WeakPolarHBondContact O-CB 3.29Å; N309-R313 PolarHBondContact O-N 2.53Å; N309-N327 WeakPolarHBondContact CB-OD1 3.44Å; N309-N327 PolarHBondContact ND2-OD1 2.64Å
310C89.8Confident90.7Very high64 Ų6489.2 Ų89.243%0.43245%0.453SS..Hα-helixtrans-73.2-48.9177.9-74.10000112.4L306 V307 F308 F312 R313L306-C310 WeakPolarHBondContact O-CB 3.39Å; L306-C310 PolarHBondContact O-N 2.83Å; L306-C310 PolarHBondContact O-SG 2.92Å; V307-C310 PolarHBondContact O-N 3.26Å; F308-C310 VanDerWaalsContact C-N 3.28Å; F308-C310 PolarHBondContact O-N 3.44Å; C310-F312 PolarHBondContact O-N 3.43Å; C310-R313 WeakPolarHBondContact O-CB 3.11Å; C310-R313 PolarHBondContact O-N 2.83Å
311C91Very high90.2Very high94 Ų9488.9 Ų88.964%0.63545%0.447SS*.Hα-helixtrans-65.6-38.2-178.2-69.80000112.5V307 F308V307-C311 WeakPolarHBondContact O-CB 3.14Å; V307-C311 PolarHBondContact O-N 2.9Å; V307-C311 PolarHBondContact O-SG 3.25Å; V307-C311 VanDerWaalsContact O-SG 3.33Å; F308-C311 PolarHBondContact O-N 2.88Å
312F91.1Very high89.7Confident92 Ų9285.6 Ų85.640%0.40443%0.432SS..THydrogen-bonded Turntrans-101.916.6-177.2-62.9-76.9000113.6F308 C310 C314 R315 I318F308-F312 AromaticContact CD2-CD2 3.5Å; F308-F312 HydrophobicContact CD2-CD2 3.5Å; F308-F312 VanDerWaalsContact CD2-CD2 3.5Å; F308-F312 AromaticContact CD2-CE2 3.65Å; F308-F312 HydrophobicContact CD2-CE2 3.65Å; F308-F312 AromaticContact CE2-CD2 3.5Å; F308-F312 HydrophobicContact CE2-CD2 3.5Å; F308-F312 AromaticContact CE2-CE2 3.66Å; F308-F312 HydrophobicContact CE2-CE2 3.66Å; F308-F312 HydrophobicContact CE2-CG 4.38Å; F308-F312 HydrophobicContact CG-CD2 4.13Å; F308-F312 HydrophobicContact CZ-CD2 4.14Å; F308-F312 WeakPolarHBondContact O-CD2 3.42Å; F308-F312 PolarHBondContact O-N 3.28Å; C310-F312 PolarHBondContact O-N 3.43Å; F312-C314 PolarHBondContact O-N 2.93Å; F312-R315 HydrophobicContact CB-CG 4.24Å; F312-R315 HydrophobicContact CD1-CG 4.31Å; F312-R315 WeakPolarHBondContact O-CB 2.96Å; F312-R315 PolarHBondContact O-N 3.45Å; F312-I318 HydrophobicContact CB-CD1 3.27Å; F312-I318 HydrophobicContact CG-CD1 4.41Å; F312-I318 WeakPolarHBondContact O-CD1 3.29Å
313R85.7Confident89.3Confident123 Ų12385.7 Ų85.746%0.46443%0.432SS..THydrogen-bonded Turntrans-52.3-28.3-179-175.6174174.1-169.4-7.4114.4N309 C310 Q319 P323 H324N309-R313 WeakPolarHBondContact O-CA 3.4Å; N309-R313 WeakPolarHBondContact O-CB 3.29Å; N309-R313 PolarHBondContact O-N 2.53Å; C310-R313 WeakPolarHBondContact O-CB 3.11Å; C310-R313 PolarHBondContact O-N 2.83Å; R313-Q319 WeakPolarHBondContact O-CG 3.43Å; R313-Q319 PolarHBondContact O-NE2 3.3Å; R313-P323 HydrophobicContact CG-CG 4.29Å; R313-H324 PolarHBondContact NH2-CE1 3.43Å; R313-H324 PolarHBondContact NH2-NE2 2.89Å
314C84.4Confident89Confident115 Ų11587.3 Ų87.378%0.77744%0.437SS*.THydrogen-bonded Turntrans-82.7-8-179.5-62.20000114.2F312F312-C314 PolarHBondContact O-N 2.93Å
315R88.5Confident88.8Confident167 Ų16785 Ų8563%0.6342%0.422SS*.SBendtrans-76.8132.6177.8-66.3-68.9-168.5-176.21109.7F312 I317 I318 Q319F312-R315 HydrophobicContact CB-CG 4.24Å; F312-R315 HydrophobicContact CD1-CG 4.31Å; F312-R315 WeakPolarHBondContact O-CB 2.96Å; F312-R315 PolarHBondContact O-N 3.45Å; R315-I317 VanDerWaalsContact C-N 3.27Å; R315-I317 PolarHBondContact O-N 2.79Å; R315-I317 VanDerWaalsContact O-N 3.17Å; R315-I318 PolarHBondContact O-N 3.48Å; R315-Q319 PolarHBondContact O-N 2.83Å
316K86.1Confident88.7Confident152 Ų15284.1 Ų84.166%0.66142%0.416SS*.Hα-helixtrans-48.8-45.4-178.2-172.2178.1176.6-176.30113.3I318 Q319 E320K316-I318 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.98Å; K316-Q319 PolarHBondContact O-N 2.91Å; K316-E320 WeakPolarHBondContact CE-OE1 3.31Å; K316-E320 WeakPolarHBondContact O-CG 3.09Å; K316-E320 PolarHBondContact O-N 3.16Å
317I86.8Confident88.7Confident136 Ų13683.4 Ų83.470%0.69741%0.412SS*.Hα-helixtrans-57.8-43179.5-60.6170.2000111.6R315 S321R315-I317 VanDerWaalsContact C-N 3.27Å; R315-I317 PolarHBondContact O-N 2.79Å; R315-I317 VanDerWaalsContact O-N 3.17Å; I317-S321 PolarHBondContact O-N 2.97Å; I317-S321 PolarHBondContact O-OG 3.38Å
318I83.9Confident88.7Confident14 Ų1482.9 Ų82.97%0.07241%0.406CS..Hα-helixtrans-76.8-33.7-179.2-68.7169000110.9F308 F312 R315 K316 S321 P323F308-I318 HydrophobicContact CD1-CD1 4.45Å; F308-I318 HydrophobicContact CE1-CD1 3.8Å; F308-I318 HydrophobicContact CZ-CD1 4.23Å; F312-I318 HydrophobicContact CB-CD1 3.27Å; F312-I318 HydrophobicContact CG-CD1 4.41Å; F312-I318 WeakPolarHBondContact O-CD1 3.29Å; R315-I318 PolarHBondContact O-N 3.48Å; K316-I318 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.98Å; I318-S321 VanDerWaalsContact O-CB 3.25Å; I318-S321 WeakPolarHBondContact O-CB 3.4Å; I318-S321 PolarHBondContact O-N 3.07Å; I318-S321 VanDerWaalsContact O-N 3.09Å; I318-P323 HydrophobicContact CG2-CB 4.07Å; I318-P323 WeakPolarHBondContact O-CD 3.27Å
319Q85.2Confident88.8Confident108 Ų10879.6 Ų79.651%0.50539%0.393SS..Hα-helixtrans-62.6-42.3174.5-69.4-176.6-15.700112R313 R315 K316 S321 Y322R313-Q319 WeakPolarHBondContact O-CG 3.43Å; R313-Q319 PolarHBondContact O-NE2 3.3Å; R315-Q319 PolarHBondContact O-N 2.83Å; K316-Q319 PolarHBondContact O-N 2.91Å; Q319-S321 PolarHBondContact O-N 3.2Å; Q319-Y322 PolarHBondContact O-N 3.28Å
320E84.5Confident89Confident123 Ų12379.7 Ų79.758%0.57539%0.393SS*.Hα-helixtrans-64.8-21.8174.1-71.8174.5-173.800112.5K316 Y322K316-E320 WeakPolarHBondContact CE-OE1 3.31Å; K316-E320 WeakPolarHBondContact O-CG 3.09Å; K316-E320 PolarHBondContact O-N 3.16Å; E320-Y322 VanDerWaalsContact O-CD2 3.32Å; E320-Y322 WeakPolarHBondContact O-CD2 3.34Å; E320-Y322 VanDerWaalsContact O-CE2 3.29Å; E320-Y322 WeakPolarHBondContact O-CE2 3.36Å; E320-Y322 PolarHBondContact O-N 3.31Å
321S85.9Confident89.2Confident42 Ų4280.9 Ų80.929%0.29440%0.395SS..THydrogen-bonded Turntrans-78.5-1.5177.6-50.80000114.3I317 I318 Q319 N326I317-S321 PolarHBondContact O-N 2.97Å; I317-S321 PolarHBondContact O-OG 3.38Å; I318-S321 VanDerWaalsContact O-CB 3.25Å; I318-S321 WeakPolarHBondContact O-CB 3.4Å; I318-S321 PolarHBondContact O-N 3.07Å; I318-S321 VanDerWaalsContact O-N 3.09Å; Q319-S321 PolarHBondContact O-N 3.2Å; S321-N326 PolarHBondContact O-ND2 2.92Å
322Y86.3Confident89.5Confident70 Ų7076.5 Ų76.528%0.27537%0.365SS..  trans52.273.3-172.1-59.9-83.2000112.5Q319 E320 H324 F325 N326 M385 L389Q319-Y322 PolarHBondContact O-N 3.28Å; E320-Y322 VanDerWaalsContact O-CD2 3.32Å; E320-Y322 WeakPolarHBondContact O-CD2 3.34Å; E320-Y322 VanDerWaalsContact O-CE2 3.29Å; E320-Y322 WeakPolarHBondContact O-CE2 3.36Å; E320-Y322 PolarHBondContact O-N 3.31Å; Y322-H324 PolarHBondContact O-N 3.19Å; Y322-F325 HydrophobicContact CG-CD2 4.5Å; Y322-F325 PolarHBondContact O-N 3.1Å; Y322-F325 VanDerWaalsContact O-N 3.13Å; Y322-N326 PolarHBondContact O-N 2.86Å; Y322-M385 HydrophobicContact CE1-CE 4.07Å; Y322-M385 HydrophobicContact CE1-CG 4.34Å; Y322-L389 HydrophobicContact CE1-CD1 4.32Å; Y322-L389 HydrophobicContact CE2-CD1 3.75Å; Y322-L389 WeakPolarHBondContact OH-CD1 3.32Å
323P87.4Confident89.7Confident9 Ų975.7 Ų75.76%0.05836%0.362CS..Hα-helixtrans-62.8-25.2-168.225.1-32.1000112.9R313 I318 N326 N327R313-P323 HydrophobicContact CG-CG 4.29Å; I318-P323 HydrophobicContact CG2-CB 4.07Å; I318-P323 WeakPolarHBondContact O-CD 3.27Å; P323-N326 PolarHBondContact O-N 2.98Å; P323-N327 WeakPolarHBondContact O-CB 3.48Å; P323-N327 PolarHBondContact O-N 3.43Å; P323-N327 PolarHBondContact O-OD1 3.39Å
324H89.7Confident90.3Very high118 Ų11870.8 Ų70.855%0.54635%0.345SS..Hα-helixtrans-60.5-45.6176.2-68.2-72.8000113.3R313 Y322 N327 L328R313-H324 PolarHBondContact NH2-CE1 3.43Å; R313-H324 PolarHBondContact NH2-NE2 2.89Å; Y322-H324 PolarHBondContact O-N 3.19Å; H324-N327 PolarHBondContact O-N 3.38Å; H324-L328 WeakPolarHBondContact O-CB 3.14Å; H324-L328 PolarHBondContact O-N 2.9Å
325F91.4Very high90.8Very high65 Ų6567.2 Ų67.229%0.28532%0.32SS..Hα-helixtrans-69.6-39.5177.7-66.9-62.4000111.3Y322 N327 L328 M329 S381 K382 M385Y322-F325 HydrophobicContact CG-CD2 4.5Å; Y322-F325 PolarHBondContact O-N 3.1Å; Y322-F325 VanDerWaalsContact O-N 3.13Å; F325-N327 VanDerWaalsContact C-N 3.35Å; F325-N327 PolarHBondContact O-N 3.13Å; F325-L328 PolarHBondContact O-N 2.91Å; F325-M329 VanDerWaalsContact O-CB 3.26Å; F325-M329 WeakPolarHBondContact O-CB 3.37Å; F325-M329 PolarHBondContact O-N 3.11Å; F325-S381 VanDerWaalsContact CE1-CB 3.49Å; F325-K382 HydrophobicContact CB-CB 4.08Å; F325-K382 HydrophobicContact CD2-CB 4.5Å; F325-K382 HydrophobicContact CG-CB 4.37Å; F325-M385 HydrophobicContact CE2-CB 4.46Å
326N91.9Very high91.2Very high16 Ų1661 Ų619%0.08630%0.299CS..Hα-helixtrans-62.8-42.4176.2-63.6-26.1000111.4S321 Y322 P323 M329 L330 K382S321-N326 PolarHBondContact O-ND2 2.92Å; Y322-N326 PolarHBondContact O-N 2.86Å; P323-N326 PolarHBondContact O-N 2.98Å; N326-M329 PolarHBondContact O-N 3.43Å; N326-L330 WeakPolarHBondContact O-CB 3.36Å; N326-L330 VanDerWaalsContact O-CG 3.24Å; N326-L330 WeakPolarHBondContact O-CG 3.28Å; N326-L330 PolarHBondContact O-N 3.07Å; N326-K382 WeakPolarHBondContact OD1-CD 3.4Å; N326-K382 WeakPolarHBondContact OD1-CE 3.37Å; N326-K382 PolarHBondContact OD1-NZ 3.41Å
327N93.5Very high91.6Very high31 Ų3156.3 Ų56.317%0.16628%0.28CS..Hα-helixtrans-65.7-42.9178-72.6-3.8000112.1N309 P323 H324 F325 M329 L330 L331N309-N327 WeakPolarHBondContact CB-OD1 3.44Å; N309-N327 PolarHBondContact ND2-OD1 2.64Å; P323-N327 WeakPolarHBondContact O-CB 3.48Å; P323-N327 PolarHBondContact O-N 3.43Å; P323-N327 PolarHBondContact O-OD1 3.39Å; H324-N327 PolarHBondContact O-N 3.38Å; F325-N327 VanDerWaalsContact C-N 3.35Å; F325-N327 PolarHBondContact O-N 3.13Å; N327-M329 VanDerWaalsContact C-N 3.31Å; N327-M329 PolarHBondContact O-N 3.43Å; N327-L330 PolarHBondContact O-N 2.98Å; N327-L331 WeakPolarHBondContact O-CB 3.35Å; N327-L331 PolarHBondContact O-N 2.88Å
328L94.6Very high91.9Very high73 Ų7353.6 Ų53.638%0.38227%0.266SS..Hα-helixtrans-63.2-39.8175.3-176.760.6000111.5H324 F325 L331 G332 C374 A378H324-L328 WeakPolarHBondContact O-CB 3.14Å; H324-L328 PolarHBondContact O-N 2.9Å; F325-L328 PolarHBondContact O-N 2.91Å; L328-L331 PolarHBondContact O-N 3.47Å; L328-G332 PolarHBondContact O-N 3.41Å; L328-C374 HydrophobicContact CD1-CB 4.08Å; L328-C374 HydrophobicContact CG-CB 4.39Å; L328-A378 HydrophobicContact CB-CB 4.07Å; L328-A378 HydrophobicContact CD2-CB 4.03Å; L328-A378 HydrophobicContact CG-CB 4.02Å
329M94.9Very high92.3Very high39 Ų3953 Ų5319%0.19226%0.264CS..Hα-helixtrans-63.1-47.4176.8-176.7177.564.700111.8F325 N326 N327 G332 F333 A378 M379F325-M329 VanDerWaalsContact O-CB 3.26Å; F325-M329 WeakPolarHBondContact O-CB 3.37Å; F325-M329 PolarHBondContact O-N 3.11Å; N326-M329 PolarHBondContact O-N 3.43Å; N327-M329 VanDerWaalsContact C-N 3.31Å; N327-M329 PolarHBondContact O-N 3.43Å; M329-G332 PolarHBondContact O-N 3.4Å; M329-F333 HydrophobicContact CG-CD2 3.96Å; M329-F333 HydrophobicContact CG-CE2 3.53Å; M329-F333 HydrophobicContact CG-CZ 4.49Å; M329-F333 VanDerWaalsContact O-CD2 3.23Å; M329-F333 WeakPolarHBondContact O-CD2 3.25Å; M329-F333 PolarHBondContact O-N 3.44Å; M329-F333 HydrophobicContact SD-CE2 4.11Å; M329-A378 HydrophobicContact CB-CB 3.94Å; M329-M379 HydrophobicContact SD-CB 4.07Å
330L95.6Very high92.7Very high22 Ų2250.4 Ų50.412%0.11525%0.252CS..Hα-helixtrans-63-41177-70.9170.2000112A302 C305 L306 N326 N327 G332 F333 V334A302-L330 HydrophobicContact CB-CD2 4.24Å; C305-L330 HydrophobicContact CB-CD1 3.72Å; C305-L330 HydrophobicContact CB-CD2 4.05Å; L306-L330 HydrophobicContact CB-CD1 4.19Å; L306-L330 HydrophobicContact CD1-CB 4.43Å; N326-L330 WeakPolarHBondContact O-CB 3.36Å; N326-L330 VanDerWaalsContact O-CG 3.24Å; N326-L330 WeakPolarHBondContact O-CG 3.28Å; N326-L330 PolarHBondContact O-N 3.07Å; N327-L330 PolarHBondContact O-N 2.98Å; L330-G332 VanDerWaalsContact C-N 3.32Å; L330-G332 PolarHBondContact O-N 2.83Å; L330-F333 PolarHBondContact O-N 2.79Å; L330-V334 WeakPolarHBondContact O-CG2 3.42Å; L330-V334 PolarHBondContact O-N 3.15Å
331L95.6Very high93Very high90 Ų9047.2 Ų47.247%0.47124%0.237SC..Hα-helixtrans-60.5-43.5174.1-176.964.9000111.1N327 L328 F333 V334 V335N327-L331 WeakPolarHBondContact O-CB 3.35Å; N327-L331 PolarHBondContact O-N 2.88Å; L328-L331 PolarHBondContact O-N 3.47Å; L331-F333 VanDerWaalsContact C-N 3.35Å; L331-F333 PolarHBondContact O-N 2.81Å; L331-V334 PolarHBondContact O-N 2.82Å; L331-V335 WeakPolarHBondContact O-CG2 3.31Å; L331-V335 PolarHBondContact O-N 3.26Å
332G96.5Very high93.1Very high1 Ų147 Ų471%0.0123%0.232CC..Hα-helixtrans-59.2-43174.400000112.9L328 M329 L330 V335 L336 G371L328-G332 PolarHBondContact O-N 3.41Å; M329-G332 PolarHBondContact O-N 3.4Å; L330-G332 VanDerWaalsContact C-N 3.32Å; L330-G332 PolarHBondContact O-N 2.83Å; G332-V335 PolarHBondContact O-N 3.22Å; G332-L336 WeakPolarHBondContact O-CG 3.3Å; G332-L336 PolarHBondContact O-N 3.08Å; G332-G371 CarbonylContact C-O 3.57Å; G332-G371 WeakPolarHBondContact CA-O 3.16Å
333F96.3Very high93.1Very high76 Ų7648.8 Ų48.833%0.33324%0.241SC..Hα-helixtrans-64.1-39.1175.2-76.2-57.3000113M329 L330 L331 V335 L336 M337M329-F333 HydrophobicContact CG-CD2 3.96Å; M329-F333 HydrophobicContact CG-CE2 3.53Å; M329-F333 HydrophobicContact CG-CZ 4.49Å; M329-F333 VanDerWaalsContact O-CD2 3.23Å; M329-F333 WeakPolarHBondContact O-CD2 3.25Å; M329-F333 PolarHBondContact O-N 3.44Å; M329-F333 HydrophobicContact SD-CE2 4.11Å; L330-F333 PolarHBondContact O-N 2.79Å; L331-F333 VanDerWaalsContact C-N 3.35Å; L331-F333 PolarHBondContact O-N 2.81Å; F333-V335 VanDerWaalsContact C-N 3.33Å; F333-V335 PolarHBondContact O-N 3.19Å; F333-L336 HydrophobicContact CD1-CD1 4.29Å; F333-L336 PolarHBondContact O-N 2.81Å; F333-M337 VanDerWaalsContact O-CG 3.25Å; F333-M337 WeakPolarHBondContact O-CG 3.44Å; F333-M337 PolarHBondContact O-N 3.4Å
334V96.5Very high92.8Very high19 Ų1948.9 Ų48.912%0.11524%0.244CC..Hα-helixtrans-59.9-46174.2171.50000110.6I299 A302 L303 L330 L331 L336 M337 I338I299-V334 HydrophobicContact CG2-CG1 4.42Å; A302-V334 HydrophobicContact CB-CG2 3.75Å; L303-V334 HydrophobicContact CD2-CG2 4.41Å; L330-V334 WeakPolarHBondContact O-CG2 3.42Å; L330-V334 PolarHBondContact O-N 3.15Å; L331-V334 PolarHBondContact O-N 2.82Å; V334-L336 PolarHBondContact O-N 3.41Å; V334-M337 PolarHBondContact O-N 3.48Å; V334-I338 HydrophobicContact CG1-CD1 3.94Å; V334-I338 WeakPolarHBondContact O-CG1 3.33Å; V334-I338 PolarHBondContact O-N 2.82Å
335V95.9Very high92.2Very high41 Ų4146.1 Ų46.125%0.24823%0.233CC..Hα-helixtrans-61.3-43.6177.6175.80000111.3L331 G332 F333 M337 I338 A339 V367L331-V335 WeakPolarHBondContact O-CG2 3.31Å; L331-V335 PolarHBondContact O-N 3.26Å; G332-V335 PolarHBondContact O-N 3.22Å; F333-V335 VanDerWaalsContact C-N 3.33Å; F333-V335 PolarHBondContact O-N 3.19Å; V335-M337 PolarHBondContact O-N 3.23Å; V335-I338 PolarHBondContact O-N 3.14Å; V335-A339 PolarHBondContact O-N 3.03Å; V335-A339 VanDerWaalsContact O-N 3.09Å; V335-V367 HydrophobicContact CG1-CG1 3.62Å; V335-V367 VanDerWaalsContact CG1-O 3.29Å; V335-V367 WeakPolarHBondContact CG1-O 3.49Å; V335-V367 WeakPolarHBondContact O-CG1 3.26Å
336L95.8Very high91Very high35 Ų3546 Ų4618%0.18324%0.239CC..Hα-helixtrans-62-40.9175.6-74175.6000112.7G332 F333 V334 I338 A339 V368 F372 S375G332-L336 WeakPolarHBondContact O-CG 3.3Å; G332-L336 PolarHBondContact O-N 3.08Å; F333-L336 HydrophobicContact CD1-CD1 4.29Å; F333-L336 PolarHBondContact O-N 2.81Å; V334-L336 PolarHBondContact O-N 3.41Å; L336-I338 VanDerWaalsContact C-N 3.34Å; L336-A339 VanDerWaalsContact O-CB 3.29Å; L336-A339 WeakPolarHBondContact O-CB 3.25Å; L336-A339 PolarHBondContact O-N 3.05Å; L336-V368 HydrophobicContact CD2-CG1 4.37Å; L336-F372 HydrophobicContact CD2-CB 4.33Å; L336-S375 WeakPolarHBondContact CD1-OG 3.15Å
337M95Very high89.7Confident55 Ų5548.7 Ų48.727%0.27126%0.256SS..Hα-helixtrans-68.9-33.4177.6-66.8-63.4175.500112A295 I299 F333 V334 V335 A339 I340 F341A295-M337 HydrophobicContact CB-CB 4.34Å; A295-M337 HydrophobicContact CB-SD 4.23Å; I299-M337 HydrophobicContact CD1-CB 3.74Å; I299-M337 HydrophobicContact CG1-CB 3.4Å; I299-M337 HydrophobicContact CG1-CG 4.14Å; F333-M337 VanDerWaalsContact O-CG 3.25Å; F333-M337 WeakPolarHBondContact O-CG 3.44Å; F333-M337 PolarHBondContact O-N 3.4Å; V334-M337 PolarHBondContact O-N 3.48Å; V335-M337 PolarHBondContact O-N 3.23Å; M337-A339 VanDerWaalsContact C-N 3.3Å; M337-A339 PolarHBondContact O-N 3.26Å; M337-I340 WeakPolarHBondContact O-CB 3.49Å; M337-I340 PolarHBondContact O-N 3.13Å; M337-I340 HydrophobicContact SD-CD1 3.83Å; M337-F341 WeakPolarHBondContact O-CD2 3.47Å
338I93.4Very high88.1Confident78 Ų7851.8 Ų51.840%0.427%0.273SS..Hα-helixtrans-63.6-37171.9-69.7166.4000110.9I299 V334 V335 L336 I340 F341 L342I299-I338 HydrophobicContact CD1-CG1 4.21Å; V334-I338 HydrophobicContact CG1-CD1 3.94Å; V334-I338 WeakPolarHBondContact O-CG1 3.33Å; V334-I338 PolarHBondContact O-N 2.82Å; V335-I338 PolarHBondContact O-N 3.14Å; L336-I338 VanDerWaalsContact C-N 3.34Å; I338-I340 PolarHBondContact O-N 3.48Å; I338-F341 WeakPolarHBondContact O-CB 3.42Å; I338-F341 PolarHBondContact O-N 2.82Å; I338-F341 VanDerWaalsContact O-N 3.1Å; I338-L342 PolarHBondContact O-N 3.46Å
339A93.4Very high86.2Confident3 Ų351.6 Ų51.63%0.02529%0.288CS..Hα-helixtrans-58.4-33.8178.100000112.9V335 L336 M337 F341 L342 F343 V367 V368V335-A339 PolarHBondContact O-N 3.03Å; V335-A339 VanDerWaalsContact O-N 3.09Å; L336-A339 VanDerWaalsContact O-CB 3.29Å; L336-A339 WeakPolarHBondContact O-CB 3.25Å; L336-A339 PolarHBondContact O-N 3.05Å; M337-A339 VanDerWaalsContact C-N 3.3Å; M337-A339 PolarHBondContact O-N 3.26Å; A339-F341 PolarHBondContact O-N 3.24Å; A339-L342 PolarHBondContact O-N 3.28Å; A339-L342 VanDerWaalsContact O-N 3.08Å; A339-F343 HydrophobicContact CB-CD2 4.49Å; A339-F343 WeakPolarHBondContact O-CD2 3.48Å; A339-F343 PolarHBondContact O-N 3.02Å; A339-V367 HydrophobicContact CB-CG1 3.82Å; A339-V368 HydrophobicContact CB-CG2 3.61Å
340I92.4Very high84.3Confident52 Ų5253.3 Ų53.327%0.26730%0.296SS..Hα-helixtrans-57.6-39.5178.1-60.7178.1000111F291 A295 M337 I338 G344F291-I340 HydrophobicContact CB-CG2 3.98Å; A295-I340 HydrophobicContact CB-CB 4.36Å; A295-I340 HydrophobicContact CB-CD1 4.04Å; A295-I340 HydrophobicContact CB-CG2 4.42Å; M337-I340 WeakPolarHBondContact O-CB 3.49Å; M337-I340 PolarHBondContact O-N 3.13Å; M337-I340 HydrophobicContact SD-CD1 3.83Å; I338-I340 PolarHBondContact O-N 3.48Å; I340-G344 PolarHBondContact O-N 3.27Å
341F90.2Very high82.6Confident57 Ų5756 Ų5625%0.2533%0.329CS..Hα-helixtrans-63.9-48.8175.5-66.4-88.1000110.8Y288 C292 A295 L296 I299 M337 I338 A339 F343 G344 L345Y288-F341 PolarHBondContact OH-O 2.82Å; C292-F341 HydrophobicContact CB-CD1 4.24Å; C292-F341 HydrophobicContact CB-CE1 3.6Å; C292-F341 HydrophobicContact CB-CZ 4.16Å; C292-F341 WeakPolarHBondContact O-CZ 3.29Å; C292-F341 VanDerWaalsContact SG-CD1 3.59Å; C292-F341 VanDerWaalsContact SG-CE1 3.6Å; A295-F341 HydrophobicContact CB-CE2 3.73Å; A295-F341 HydrophobicContact CB-CZ 4.08Å; L296-F341 HydrophobicContact CD2-CE1 4.47Å; L296-F341 HydrophobicContact CD2-CE2 4.49Å; L296-F341 HydrophobicContact CD2-CZ 3.75Å; L296-F341 HydrophobicContact CG-CZ 3.84Å; I299-F341 HydrophobicContact CD1-CE2 4.11Å; M337-F341 WeakPolarHBondContact O-CD2 3.47Å; I338-F341 WeakPolarHBondContact O-CB 3.42Å; I338-F341 PolarHBondContact O-N 2.82Å; I338-F341 VanDerWaalsContact O-N 3.1Å; A339-F341 PolarHBondContact O-N 3.24Å; F341-F343 PolarHBondContact O-N 2.85Å; F341-G344 PolarHBondContact O-N 2.9Å; F341-L345 WeakPolarHBondContact O-CG 3.15Å; F341-L345 PolarHBondContact O-N 3.45Å
342L88.5Confident81.3Confident38 Ų3854.1 Ų54.120%0.19932%0.319CS..Hα-helixtrans-59.4-43.6-178.1-61.9174.9000112.2I338 A339 F360 V363 Q364 V367I338-L342 PolarHBondContact O-N 3.46Å; A339-L342 PolarHBondContact O-N 3.28Å; A339-L342 VanDerWaalsContact O-N 3.08Å; L342-F360 HydrophobicContact CD2-CE2 4.15Å; L342-F360 WeakPolarHBondContact O-CZ 3.35Å; L342-V363 HydrophobicContact CD1-CG1 4.39Å; L342-Q364 HydrophobicContact CB-CG 3.87Å; L342-Q364 PolarHBondContact O-NE2 3.41Å; L342-V367 HydrophobicContact CD1-CB 4.39Å; L342-V367 HydrophobicContact CD1-CG1 4.43Å; L342-V367 HydrophobicContact CD1-CG2 4.06Å
343F86.1Confident80.2Confident106 Ų10656.9 Ų56.947%0.46534%0.337SS..Hα-helixtrans-72.3-31.8-176.3-89.9-83.1000114.5A339 F341 Q364 V368A339-F343 HydrophobicContact CB-CD2 4.49Å; A339-F343 WeakPolarHBondContact O-CD2 3.48Å; A339-F343 PolarHBondContact O-N 3.02Å; F341-F343 PolarHBondContact O-N 2.85Å; F343-Q364 HydrophobicContact CD2-CB 4.23Å; F343-Q364 HydrophobicContact CD2-CG 4.41Å; F343-Q364 HydrophobicContact CE1-CB 4.22Å; F343-Q364 HydrophobicContact CE2-CB 3.67Å; F343-Q364 HydrophobicContact CE2-CG 4.34Å; F343-Q364 WeakPolarHBondContact CE2-O 3.36Å; F343-Q364 HydrophobicContact CZ-CB 3.68Å; F343-V368 HydrophobicContact CD2-CG2 4.36Å; F343-V368 HydrophobicContact CE2-CG2 3.59Å; F343-V368 HydrophobicContact CZ-CG2 4.39Å
344G81Confident79.2Confident12 Ų1262 Ų6212%0.12436%0.362CS..Hα-helixtrans-98.66.9-176.500000115Y288 I340 F341Y288-G344 WeakPolarHBondContact CD2-O 3.27Å; Y288-G344 WeakPolarHBondContact CE1-O 3.49Å; Y288-G344 VanDerWaalsContact CE2-O 3.25Å; Y288-G344 WeakPolarHBondContact CE2-O 3.32Å; Y288-G344 VanDerWaalsContact CZ-O 3.28Å; I340-G344 PolarHBondContact O-N 3.27Å; F341-G344 PolarHBondContact O-N 2.9Å
345L76.9Confident78.4Confident59 Ų5968.4 Ų68.431%0.30939%0.39SS..  trans-56130.6176.9-84.8169.4000110.9F341 V347 M350 F360F341-L345 WeakPolarHBondContact O-CG 3.15Å; F341-L345 PolarHBondContact O-N 3.45Å; L345-V347 PolarHBondContact O-N 3.43Å; L345-M350 HydrophobicContact CB-CE 3.6Å; L345-M350 HydrophobicContact CD1-CE 3.44Å; L345-M350 VanDerWaalsContact CD1-CE 3.44Å; L345-M350 HydrophobicContact CD1-SD 4.14Å; L345-M350 HydrophobicContact CD2-CE 4.03Å; L345-M350 HydrophobicContact CD2-SD 4.23Å; L345-M350 HydrophobicContact CG-CE 3.84Å; L345-F360 HydrophobicContact CD1-CE2 4.22Å; L345-F360 HydrophobicContact CD1-CZ 3.88Å
346P67.9Low77.8Confident62 Ų6270.2 Ų70.240%0.40340%0.399SS..  trans-70.2120.7179.427.4-32.4000110.4D348P346-D348 VanDerWaalsContact C-N 3.26Å; P346-D348 PolarHBondContact O-N 2.91Å
347V64.1Low77.2Confident73 Ų7373 Ų7344%0.44241%0.41SS..THydrogen-bonded Turntrans-61.2-34.5177.7-176.10000111.5L345 G349L345-V347 PolarHBondContact O-N 3.43Å; V347-G349 PolarHBondContact O-N 3.21Å
348D60.2Low76.8Confident97 Ų9773.7 Ų73.752%0.51942%0.42SS..THydrogen-bonded Turntrans-727.7-172.3-54.9-35.6000116.3R282 P346R282-D348 WeakPolarHBondContact CD-OD2 3.39Å; R282-D348 IonicContact CZ-OD2 3.48Å; R282-D348 IonicContact NE-OD2 3.62Å; R282-D348 IonicContact NH1-OD2 2.66Å; R282-D348 PolarHBondContact NH1-OD2 3.18Å; P346-D348 VanDerWaalsContact C-N 3.26Å; P346-D348 PolarHBondContact O-N 2.91Å
349G54.6Low76.5Confident68 Ų6873.2 Ų73.270%0.70142%0.423SS*.THydrogen-bonded Turntrans-139.7-16.618000000114.4V347V347-G349 PolarHBondContact O-N 3.21Å
350M55.5Low76.2Confident75 Ų7575.2 Ų75.237%0.36943%0.431SS..  trans-97.4105.3167.6-67.5-161.2-5300107.1L345 I352L345-M350 HydrophobicContact CB-CE 3.6Å; L345-M350 HydrophobicContact CD1-CE 3.44Å; L345-M350 VanDerWaalsContact CD1-CE 3.44Å; L345-M350 HydrophobicContact CD1-SD 4.14Å; L345-M350 HydrophobicContact CD2-CE 4.03Å; L345-M350 HydrophobicContact CD2-SD 4.23Å; L345-M350 HydrophobicContact CG-CE 3.84Å; M350-I352 HydrophobicContact CB-CG1 3.98Å; M350-I352 HydrophobicContact CE-CD1 3.88Å; M350-I352 HydrophobicContact CE-CG1 4.27Å; M350-I352 PolarHBondContact O-N 3.35Å
351G59.5Low76Confident78 Ų7875.4 Ų75.480%0.80444%0.437SS*.  trans-66.563.4163.100000109.9P353G351-P353 WeakPolarHBondContact O-CD 3.37Å; G351-P353 VanDerWaalsContact O-N 3.14Å
352I68.4Low76.1Confident51 Ų5180.9 Ų80.926%0.26246%0.457SS..  trans-61.4114.9165.9-58.9179.1000104.1M350 E354 N356 F357 F360M350-I352 HydrophobicContact CB-CG1 3.98Å; M350-I352 HydrophobicContact CE-CD1 3.88Å; M350-I352 HydrophobicContact CE-CG1 4.27Å; M350-I352 PolarHBondContact O-N 3.35Å; I352-E354 PolarHBondContact O-N 3.02Å; I352-N356 HydrophobicContact CG2-CB 3.96Å; I352-F357 HydrophobicContact CG2-CB 4.48Å; I352-F360 HydrophobicContact CD1-CD1 3.87Å; I352-F360 HydrophobicContact CD1-CD2 4.35Å; I352-F360 HydrophobicContact CD1-CE1 4.09Å; I352-F360 HydrophobicContact CD1-CG 4Å; I352-F360 HydrophobicContact CD1-CZ 4.48Å
353P72.4Confident76.2Confident59 Ų5982.7 Ų82.738%0.38347%0.469SS..  trans-55.2142.3176.6-23.134.5000109.3G351 E355 N356 F357G351-P353 WeakPolarHBondContact O-CD 3.37Å; G351-P353 VanDerWaalsContact O-N 3.14Å; P353-E355 HydrophobicContact CB-CG 3.55Å; P353-E355 PolarHBondContact O-N 3.47Å; P353-N356 PolarHBondContact O-N 3.05Å; P353-F357 PolarHBondContact O-N 3.45Å
354E75.5Confident76.5Confident184 Ų18478.8 Ų78.886%0.8645%0.453SS*.Hα-helixtrans-52.1-33.7-179.2-68.8-17416500112.3I352 N356 F357I352-E354 PolarHBondContact O-N 3.02Å; E354-N356 VanDerWaalsContact C-N 3.31Å; E354-N356 PolarHBondContact O-N 2.91Å; E354-F357 PolarHBondContact O-N 3.03Å
355E80.2Confident77.1Confident153 Ų15381.5 Ų81.572%0.71547%0.467SS*.Hα-helixtrans-60.3-32.6174.552.4179.1-176.900114.4P353P353-E355 HydrophobicContact CB-CG 3.55Å; P353-E355 PolarHBondContact O-N 3.47Å
356N82.8Confident77.9Confident79 Ų7980.4 Ų80.442%0.42247%0.466SS..Hα-helixtrans-96.3-10.6-177.2-70.8-28.2000113.2I352 P353 E354 S358 S359 F360I352-N356 HydrophobicContact CG2-CB 3.96Å; P353-N356 PolarHBondContact O-N 3.05Å; E354-N356 VanDerWaalsContact C-N 3.31Å; E354-N356 PolarHBondContact O-N 2.91Å; N356-S358 VanDerWaalsContact C-N 3.34Å; N356-S358 PolarHBondContact O-N 3.31Å; N356-S359 PolarHBondContact O-N 3.42Å; N356-F360 WeakPolarHBondContact O-CB 3.17Å; N356-F360 PolarHBondContact O-N 3.17Å
357F83.3Confident79.2Confident95 Ų9579 Ų7942%0.41746%0.456SS..Hα-helixtrans-60.6-43.2-178.3-174.8-98.3000112.1I352 P353 E354 S359 F360 C361I352-F357 HydrophobicContact CG2-CB 4.48Å; P353-F357 PolarHBondContact O-N 3.45Å; E354-F357 PolarHBondContact O-N 3.03Å; F357-S359 PolarHBondContact O-N 3.35Å; F357-F360 PolarHBondContact O-N 3.18Å; F357-C361 PolarHBondContact O-N 3.42Å
358S86.6Confident80.7Confident68 Ų6878.1 Ų78.148%0.47645%0.451SS..Hα-helixtrans-60-48.2176.6-63.10000111.6N356 F360 C361 Y362N356-S358 VanDerWaalsContact C-N 3.34Å; N356-S358 PolarHBondContact O-N 3.31Å; S358-F360 VanDerWaalsContact C-N 3.33Å; S358-F360 PolarHBondContact O-N 3.36Å; S358-C361 WeakPolarHBondContact O-CB 3.36Å; S358-C361 PolarHBondContact O-N 3.3Å; S358-Y362 WeakPolarHBondContact O-CD2 3.22Å; S358-Y362 PolarHBondContact O-N 3.39Å
359S87.5Confident82.4Confident68 Ų6879.3 Ų79.348%0.47646%0.455SS..Hα-helixtrans-60.5-41.7177.7-61.10000112N356 F357 Y362 V363N356-S359 PolarHBondContact O-N 3.42Å; F357-S359 PolarHBondContact O-N 3.35Å; S359-Y362 PolarHBondContact O-N 3.06Å; S359-V363 WeakPolarHBondContact O-CG2 3.35Å; S359-V363 PolarHBondContact O-N 3.44Å
360F87.1Confident84.4Confident45 Ų4584.1 Ų84.120%0.19745%0.453CS..Hα-helixtrans-62.1-43.5175.7-179.9-106000112.1L342 L345 I352 N356 F357 S358 V363 Q364L342-F360 HydrophobicContact CD2-CE2 4.15Å; L342-F360 WeakPolarHBondContact O-CZ 3.35Å; L345-F360 HydrophobicContact CD1-CE2 4.22Å; L345-F360 HydrophobicContact CD1-CZ 3.88Å; I352-F360 HydrophobicContact CD1-CD1 3.87Å; I352-F360 HydrophobicContact CD1-CD2 4.35Å; I352-F360 HydrophobicContact CD1-CE1 4.09Å; I352-F360 HydrophobicContact CD1-CG 4Å; I352-F360 HydrophobicContact CD1-CZ 4.48Å; N356-F360 WeakPolarHBondContact O-CB 3.17Å; N356-F360 PolarHBondContact O-N 3.17Å; F357-F360 PolarHBondContact O-N 3.18Å; S358-F360 VanDerWaalsContact C-N 3.33Å; S358-F360 PolarHBondContact O-N 3.36Å; F360-V363 PolarHBondContact O-N 3.21Å; F360-Q364 HydrophobicContact CE1-CG 4.21Å; F360-Q364 HydrophobicContact CZ-CG 4.24Å; F360-Q364 WeakPolarHBondContact O-CG 3.4Å; F360-Q364 PolarHBondContact O-N 3.13Å
361C88.1Confident86.3Confident57 Ų5780.6 Ų80.639%0.38544%0.436SS..Hα-helixtrans-60.9-43.1173.9-173.80000111.9F357 S358 V363 Q364 V365F357-C361 PolarHBondContact O-N 3.42Å; S358-C361 WeakPolarHBondContact O-CB 3.36Å; S358-C361 PolarHBondContact O-N 3.3Å; C361-V363 PolarHBondContact O-N 3.44Å; C361-Q364 WeakPolarHBondContact O-CB 3.41Å; C361-Q364 PolarHBondContact O-N 3.14Å; C361-V365 WeakPolarHBondContact O-CG2 3.32Å; C361-V365 PolarHBondContact O-N 2.97Å; C361-V365 VanDerWaalsContact O-N 3.13Å
362Y92Very high88.1Confident172 Ų17282 Ų8268%0.67542%0.42SS*.Hα-helixtrans-62.6-41.2175.3-75.5-63.6000112.8S358 S359 V365 A366S358-Y362 WeakPolarHBondContact O-CD2 3.22Å; S358-Y362 PolarHBondContact O-N 3.39Å; S359-Y362 PolarHBondContact O-N 3.06Å; Y362-V365 PolarHBondContact O-N 3.02Å; Y362-A366 VanDerWaalsContact O-CB 3.28Å; Y362-A366 WeakPolarHBondContact O-CB 3.22Å; Y362-A366 PolarHBondContact O-N 3.37Å
363V91.5Very high89.4Confident75 Ų7583 Ų8346%0.45543%0.432SS..Hα-helixtrans-63.2-44.3176.8170.70000110.9L342 S359 F360 C361 V365 A366 V367L342-V363 HydrophobicContact CD1-CG1 4.39Å; S359-V363 WeakPolarHBondContact O-CG2 3.35Å; S359-V363 PolarHBondContact O-N 3.44Å; F360-V363 PolarHBondContact O-N 3.21Å; C361-V363 PolarHBondContact O-N 3.44Å; V363-V365 VanDerWaalsContact C-N 3.34Å; V363-V365 PolarHBondContact O-N 3.12Å; V363-A366 PolarHBondContact O-N 3.3Å; V363-V367 HydrophobicContact CG1-CG2 4.11Å; V363-V367 WeakPolarHBondContact O-CB 3.46Å; V363-V367 VanDerWaalsContact O-CG2 3.22Å; V363-V367 WeakPolarHBondContact O-CG2 3.15Å; V363-V367 PolarHBondContact O-N 3.1Å
364Q91.3Very high90.4Very high25 Ų2582 Ų8212%0.11743%0.426CS..Hα-helixtrans-54-50175.5-77.6175.8-22.500111.7L342 F343 F360 C361 V368L342-Q364 HydrophobicContact CB-CG 3.87Å; L342-Q364 PolarHBondContact O-NE2 3.41Å; F343-Q364 HydrophobicContact CD2-CB 4.23Å; F343-Q364 HydrophobicContact CD2-CG 4.41Å; F343-Q364 HydrophobicContact CE1-CB 4.22Å; F343-Q364 HydrophobicContact CE2-CB 3.67Å; F343-Q364 HydrophobicContact CE2-CG 4.34Å; F343-Q364 WeakPolarHBondContact CE2-O 3.36Å; F343-Q364 HydrophobicContact CZ-CB 3.68Å; F360-Q364 HydrophobicContact CE1-CG 4.21Å; F360-Q364 HydrophobicContact CZ-CG 4.24Å; F360-Q364 WeakPolarHBondContact O-CG 3.4Å; F360-Q364 PolarHBondContact O-N 3.13Å; C361-Q364 WeakPolarHBondContact O-CB 3.41Å; C361-Q364 PolarHBondContact O-N 3.14Å; Q364-V368 PolarHBondContact O-N 3.1Å
365V93.5Very high91.4Very high68 Ų6873.3 Ų73.341%0.41239%0.386SS..Hα-helixtrans-65.4-45.3178.7179.20000111.3C361 Y362 V363 V367 V368 M369C361-V365 WeakPolarHBondContact O-CG2 3.32Å; C361-V365 PolarHBondContact O-N 2.97Å; C361-V365 VanDerWaalsContact O-N 3.13Å; Y362-V365 PolarHBondContact O-N 3.02Å; V363-V365 VanDerWaalsContact C-N 3.34Å; V363-V365 PolarHBondContact O-N 3.12Å; V365-V367 PolarHBondContact O-N 2.98Å; V365-V368 PolarHBondContact O-N 3.19Å; V365-M369 HydrophobicContact CG1-CG 4.24Å; V365-M369 HydrophobicContact CG1-SD 3.95Å; V365-M369 WeakPolarHBondContact O-CG 3.34Å; V365-M369 PolarHBondContact O-N 2.9Å
366A94.9Very high92Very high37 Ų3770.6 Ų70.631%0.30637%0.372SS..Hα-helixtrans-60.5-45.5-178.800000112.2Y362 V363 V368 M369 Y370Y362-A366 VanDerWaalsContact O-CB 3.28Å; Y362-A366 WeakPolarHBondContact O-CB 3.22Å; Y362-A366 PolarHBondContact O-N 3.37Å; V363-A366 PolarHBondContact O-N 3.3Å; A366-V368 VanDerWaalsContact C-N 3.3Å; A366-V368 PolarHBondContact O-N 3.29Å; A366-M369 PolarHBondContact O-N 2.79Å; A366-Y370 VanDerWaalsContact O-CD2 3.24Å; A366-Y370 WeakPolarHBondContact O-CD2 3.3Å; A366-Y370 PolarHBondContact O-N 3.11Å
367V95Very high92.6Very high31 Ų3168.4 Ų68.419%0.18837%0.367CS..Hα-helixtrans-58.6-43.2178.3172.20000110.7V335 A339 L342 V363 V365 G371V335-V367 HydrophobicContact CG1-CG1 3.62Å; V335-V367 VanDerWaalsContact CG1-O 3.29Å; V335-V367 WeakPolarHBondContact CG1-O 3.49Å; V335-V367 WeakPolarHBondContact O-CG1 3.26Å; A339-V367 HydrophobicContact CB-CG1 3.82Å; L342-V367 HydrophobicContact CD1-CB 4.39Å; L342-V367 HydrophobicContact CD1-CG1 4.43Å; L342-V367 HydrophobicContact CD1-CG2 4.06Å; V363-V367 HydrophobicContact CG1-CG2 4.11Å; V363-V367 WeakPolarHBondContact O-CB 3.46Å; V363-V367 VanDerWaalsContact O-CG2 3.22Å; V363-V367 WeakPolarHBondContact O-CG2 3.15Å; V363-V367 PolarHBondContact O-N 3.1Å; V365-V367 PolarHBondContact O-N 2.98Å; V367-G371 PolarHBondContact O-N 3.01Å
368V95.3Very high93.1Very high55 Ų5564 Ų6433%0.33335%0.348SS..Hα-helixtrans-64.7-45.6176.31740000111.4L336 A339 F343 Q364 V365 A366 Y370 G371 F372L336-V368 HydrophobicContact CD2-CG1 4.37Å; A339-V368 HydrophobicContact CB-CG2 3.61Å; F343-V368 HydrophobicContact CD2-CG2 4.36Å; F343-V368 HydrophobicContact CE2-CG2 3.59Å; F343-V368 HydrophobicContact CZ-CG2 4.39Å; Q364-V368 PolarHBondContact O-N 3.1Å; V365-V368 PolarHBondContact O-N 3.19Å; A366-V368 VanDerWaalsContact C-N 3.3Å; A366-V368 PolarHBondContact O-N 3.29Å; V368-Y370 PolarHBondContact O-N 2.52Å; V368-G371 PolarHBondContact O-N 2.89Å; V368-F372 WeakPolarHBondContact O-CB 3.4Å; V368-F372 PolarHBondContact O-N 3.47Å
369M96Very high93.4Very high123 Ų12365.4 Ų65.461%0.60635%0.349SS*.Hα-helixtrans-61.7-46.1-179.7-70-175.68200112.3V365 A366 S373V365-M369 HydrophobicContact CG1-CG 4.24Å; V365-M369 HydrophobicContact CG1-SD 3.95Å; V365-M369 WeakPolarHBondContact O-CG 3.34Å; V365-M369 PolarHBondContact O-N 2.9Å; A366-M369 PolarHBondContact O-N 2.79Å; M369-S373 WeakPolarHBondContact O-CB 3.27Å; M369-S373 PolarHBondContact O-N 2.79Å; M369-S373 PolarHBondContact O-OG 3.39Å
370Y95.4Very high93.6Very high168 Ų16868.7 Ų68.766%0.65936%0.355SS*.Hα-helixtrans-68.4-44.9177.7-80.8-71.7000111.9A366 V368 F372 S373 C374A366-Y370 VanDerWaalsContact O-CD2 3.24Å; A366-Y370 WeakPolarHBondContact O-CD2 3.3Å; A366-Y370 PolarHBondContact O-N 3.11Å; V368-Y370 PolarHBondContact O-N 2.52Å; Y370-F372 VanDerWaalsContact C-N 3.34Å; Y370-F372 PolarHBondContact O-N 2.79Å; Y370-S373 PolarHBondContact O-N 3.07Å; Y370-C374 WeakPolarHBondContact O-CB 3.49Å; Y370-C374 PolarHBondContact O-N 3.5Å; Y370-C374 PolarHBondContact O-SG 2.9Å; Y370-C374 VanDerWaalsContact O-SG 3.39Å
371G96.6Very high93.9Very high1 Ų168.9 Ų68.91%0.0136%0.361CS..Hα-helixtrans-60.3-42.817800000112.4G332 V367 V368 S375G332-G371 CarbonylContact C-O 3.57Å; G332-G371 WeakPolarHBondContact CA-O 3.16Å; V367-G371 PolarHBondContact O-N 3.01Å; V368-G371 PolarHBondContact O-N 2.89Å; G371-S375 WeakPolarHBondContact O-CB 3.41Å; G371-S375 PolarHBondContact O-N 3.34Å; G371-S375 PolarHBondContact O-OG 2.98Å
372F96.1Very high93.9Very high107 Ų10769.2 Ų69.247%0.46936%0.356SS..Hα-helixtrans-64.8-47176.1-174.8-91000111.6L336 V368 Y370 C374 S375 F376L336-F372 HydrophobicContact CD2-CB 4.33Å; V368-F372 WeakPolarHBondContact O-CB 3.4Å; V368-F372 PolarHBondContact O-N 3.47Å; Y370-F372 VanDerWaalsContact C-N 3.34Å; Y370-F372 PolarHBondContact O-N 2.79Å; F372-C374 PolarHBondContact O-N 3.18Å; F372-S375 PolarHBondContact O-N 3.22Å; F372-S375 PolarHBondContact O-OG 3.43Å; F372-S375 VanDerWaalsContact O-OG 3.13Å; F372-F376 HydrophobicContact CD1-CD2 4.34Å; F372-F376 AromaticContact CD2-CD2 3.27Å; F372-F376 HydrophobicContact CD2-CD2 3.27Å; F372-F376 AromaticContact CD2-CE2 3.44Å; F372-F376 HydrophobicContact CD2-CE2 3.44Å; F372-F376 VanDerWaalsContact CD2-CE2 3.44Å; F372-F376 HydrophobicContact CD2-CG 4.2Å; F372-F376 HydrophobicContact CD2-CZ 4.46Å; F372-F376 HydrophobicContact CE1-CB 4.18Å; F372-F376 HydrophobicContact CE1-CD2 4.26Å; F372-F376 HydrophobicContact CE1-CG 4.31Å; F372-F376 HydrophobicContact CE2-CB 4.47Å; F372-F376 HydrophobicContact CE2-CD1 4.33Å; F372-F376 AromaticContact CE2-CD2 3.18Å; F372-F376 HydrophobicContact CE2-CD2 3.18Å; F372-F376 HydrophobicContact CE2-CE1 4.4Å; F372-F376 AromaticContact CE2-CE2 3.28Å; F372-F376 HydrophobicContact CE2-CE2 3.28Å; F372-F376 AromaticContact CE2-CG 3.75Å; F372-F376 HydrophobicContact CE2-CG 3.75Å; F372-F376 AromaticContact CE2-CZ 3.91Å; F372-F376 HydrophobicContact CE2-CZ 3.91Å; F372-F376 AromaticContact CG-CD2 3.88Å; F372-F376 HydrophobicContact CG-CD2 3.88Å; F372-F376 HydrophobicContact CG-CE2 4.44Å; F372-F376 HydrophobicContact CZ-CB 4.14Å; F372-F376 HydrophobicContact CZ-CD1 4.35Å; F372-F376 AromaticContact CZ-CD2 3.71Å; F372-F376 HydrophobicContact CZ-CD2 3.71Å; F372-F376 HydrophobicContact CZ-CE2 4.17Å; F372-F376 AromaticContact CZ-CG 3.8Å; F372-F376 HydrophobicContact CZ-CG 3.8Å; F372-F376 WeakPolarHBondContact O-CB 3.3Å; F372-F376 PolarHBondContact O-N 3.15Å
373S95.8Very high93.9Very high74 Ų7465 Ų6552%0.51735%0.348SS..Hα-helixtrans-61.8-43.4179.8-59.70000112.2M369 Y370 G377M369-S373 WeakPolarHBondContact O-CB 3.27Å; M369-S373 PolarHBondContact O-N 2.79Å; M369-S373 PolarHBondContact O-OG 3.39Å; Y370-S373 PolarHBondContact O-N 3.07Å; S373-G377 WeakPolarHBondContact O-CA 3.4Å; S373-G377 PolarHBondContact O-N 2.68Å
374C94.9Very high93.8Very high38 Ų3864.8 Ų64.826%0.25734%0.344SS..Hα-helixtrans-68.2-39.4177.6-69.80000112.7L328 Y370 F372 A378L328-C374 HydrophobicContact CD1-CB 4.08Å; L328-C374 HydrophobicContact CG-CB 4.39Å; Y370-C374 WeakPolarHBondContact O-CB 3.49Å; Y370-C374 PolarHBondContact O-N 3.5Å; Y370-C374 PolarHBondContact O-SG 2.9Å; Y370-C374 VanDerWaalsContact O-SG 3.39Å; F372-C374 PolarHBondContact O-N 3.18Å; C374-A378 WeakPolarHBondContact O-CB 3.2Å; C374-A378 PolarHBondContact O-N 3.36Å
375S94.7Very high93.6Very high1 Ų166.8 Ų66.81%0.00735%0.354CS..Hα-helixtrans-73.6-65.2-179.752.40000112.1L336 G371 F372 G377 A378 M379L336-S375 WeakPolarHBondContact CD1-OG 3.15Å; G371-S375 WeakPolarHBondContact O-CB 3.41Å; G371-S375 PolarHBondContact O-N 3.34Å; G371-S375 PolarHBondContact O-OG 2.98Å; F372-S375 PolarHBondContact O-N 3.22Å; F372-S375 PolarHBondContact O-OG 3.43Å; F372-S375 VanDerWaalsContact O-OG 3.13Å; S375-G377 PolarHBondContact O-N 3.47Å; S375-A378 PolarHBondContact O-N 3.43Å; S375-M379 PolarHBondContact O-N 3.49Å
376F94.3Very high93.3Very high96 Ų9665.9 Ų65.942%0.42135%0.349SS..Hα-helixtrans-69-35.5-176.9-73.3-89.9000112.6F372 M379 F380F372-F376 HydrophobicContact CD1-CD2 4.34Å; F372-F376 AromaticContact CD2-CD2 3.27Å; F372-F376 HydrophobicContact CD2-CD2 3.27Å; F372-F376 AromaticContact CD2-CE2 3.44Å; F372-F376 HydrophobicContact CD2-CE2 3.44Å; F372-F376 VanDerWaalsContact CD2-CE2 3.44Å; F372-F376 HydrophobicContact CD2-CG 4.2Å; F372-F376 HydrophobicContact CD2-CZ 4.46Å; F372-F376 HydrophobicContact CE1-CB 4.18Å; F372-F376 HydrophobicContact CE1-CD2 4.26Å; F372-F376 HydrophobicContact CE1-CG 4.31Å; F372-F376 HydrophobicContact CE2-CB 4.47Å; F372-F376 HydrophobicContact CE2-CD1 4.33Å; F372-F376 AromaticContact CE2-CD2 3.18Å; F372-F376 HydrophobicContact CE2-CD2 3.18Å; F372-F376 HydrophobicContact CE2-CE1 4.4Å; F372-F376 AromaticContact CE2-CE2 3.28Å; F372-F376 HydrophobicContact CE2-CE2 3.28Å; F372-F376 AromaticContact CE2-CG 3.75Å; F372-F376 HydrophobicContact CE2-CG 3.75Å; F372-F376 AromaticContact CE2-CZ 3.91Å; F372-F376 HydrophobicContact CE2-CZ 3.91Å; F372-F376 AromaticContact CG-CD2 3.88Å; F372-F376 HydrophobicContact CG-CD2 3.88Å; F372-F376 HydrophobicContact CG-CE2 4.44Å; F372-F376 HydrophobicContact CZ-CB 4.14Å; F372-F376 HydrophobicContact CZ-CD1 4.35Å; F372-F376 AromaticContact CZ-CD2 3.71Å; F372-F376 HydrophobicContact CZ-CD2 3.71Å; F372-F376 HydrophobicContact CZ-CE2 4.17Å; F372-F376 AromaticContact CZ-CG 3.8Å; F372-F376 HydrophobicContact CZ-CG 3.8Å; F372-F376 WeakPolarHBondContact O-CB 3.3Å; F372-F376 PolarHBondContact O-N 3.15Å; F376-M379 WeakPolarHBondContact O-CB 3.39Å; F376-M379 PolarHBondContact O-N 3.37Å; F376-F380 PolarHBondContact O-N 3.48Å
377G94.8Very high92.9Very high32 Ų3269.5 Ų69.533%0.3336%0.36SS..Hα-helixtrans-65.5-38.4175.600000112.7S373 S375 S381S373-G377 WeakPolarHBondContact O-CA 3.4Å; S373-G377 PolarHBondContact O-N 2.68Å; S375-G377 PolarHBondContact O-N 3.47Å; G377-S381 VanDerWaalsContact O-CB 3.3Å; G377-S381 WeakPolarHBondContact O-CB 3.34Å; G377-S381 PolarHBondContact O-N 3.38Å; G377-S381 PolarHBondContact O-OG 2.85Å
378A94.3Very high92.6Very high2 Ų275.5 Ų75.52%0.01738%0.379CS..Hα-helixtrans-70.1-38.5173.400000112.1L328 M329 C374 S375 S381 K382L328-A378 HydrophobicContact CB-CB 4.07Å; L328-A378 HydrophobicContact CD2-CB 4.03Å; L328-A378 HydrophobicContact CG-CB 4.02Å; M329-A378 HydrophobicContact CB-CB 3.94Å; C374-A378 WeakPolarHBondContact O-CB 3.2Å; C374-A378 PolarHBondContact O-N 3.36Å; S375-A378 PolarHBondContact O-N 3.43Å; A378-S381 PolarHBondContact O-N 3.38Å; A378-K382 WeakPolarHBondContact O-CB 3.43Å; A378-K382 PolarHBondContact O-N 3.41Å
379M91.7Very high92.2Very high99 Ų9975.8 Ų75.849%0.48838%0.378SS..Hα-helixtrans-58.8-50.4174.4-176.7-178.3173.500111.2M329 S375 F376 S381 K382 V383M329-M379 HydrophobicContact SD-CB 4.07Å; S375-M379 PolarHBondContact O-N 3.49Å; F376-M379 WeakPolarHBondContact O-CB 3.39Å; F376-M379 PolarHBondContact O-N 3.37Å; M379-S381 PolarHBondContact O-N 3.31Å; M379-K382 PolarHBondContact O-N 3.48Å; M379-V383 WeakPolarHBondContact O-CG2 3.49Å; M379-V383 PolarHBondContact O-N 3.18Å
380F92.7Very high91.7Very high137 Ų13776.2 Ų76.260%0.60138%0.379SS*.Hα-helixtrans-61.5-44.3177.6-177.7-99.1000111.7F376 K382 V383 L384F376-F380 PolarHBondContact O-N 3.48Å; F380-K382 VanDerWaalsContact C-N 3.3Å; F380-K382 PolarHBondContact O-N 2.84Å; F380-V383 PolarHBondContact O-N 2.89Å; F380-L384 HydrophobicContact CE1-CD2 4.21Å; F380-L384 WeakPolarHBondContact O-CB 3.44Å; F380-L384 PolarHBondContact O-N 3.38Å
381S92.4Very high91.2Very high48 Ų4871.8 Ų71.834%0.33637%0.369SS..Hα-helixtrans-61.3-38.2179-60.70000112.2F325 G377 A378 M379 M385F325-S381 VanDerWaalsContact CE1-CB 3.49Å; G377-S381 VanDerWaalsContact O-CB 3.3Å; G377-S381 WeakPolarHBondContact O-CB 3.34Å; G377-S381 PolarHBondContact O-N 3.38Å; G377-S381 PolarHBondContact O-OG 2.85Å; A378-S381 PolarHBondContact O-N 3.38Å; M379-S381 PolarHBondContact O-N 3.31Å; S381-M385 VanDerWaalsContact O-CB 3.28Å; S381-M385 WeakPolarHBondContact O-CB 3.48Å; S381-M385 PolarHBondContact O-N 3.25Å
382K89.7Confident90.7Very high64 Ų6476.3 Ų76.328%0.27839%0.393SS..Hα-helixtrans-65.9-46.1174.6-175.6-176.9178.1-176.30112F325 N326 A378 M379 F380 L384 M385 T386F325-K382 HydrophobicContact CB-CB 4.08Å; F325-K382 HydrophobicContact CD2-CB 4.5Å; F325-K382 HydrophobicContact CG-CB 4.37Å; N326-K382 WeakPolarHBondContact OD1-CD 3.4Å; N326-K382 WeakPolarHBondContact OD1-CE 3.37Å; N326-K382 PolarHBondContact OD1-NZ 3.41Å; A378-K382 WeakPolarHBondContact O-CB 3.43Å; A378-K382 PolarHBondContact O-N 3.41Å; M379-K382 PolarHBondContact O-N 3.48Å; F380-K382 VanDerWaalsContact C-N 3.3Å; F380-K382 PolarHBondContact O-N 2.84Å; K382-L384 VanDerWaalsContact C-N 3.35Å; K382-M385 PolarHBondContact O-N 3.49Å; K382-T386 WeakPolarHBondContact O-CG2 3.41Å; K382-T386 PolarHBondContact O-N 3.04Å; K382-T386 PolarHBondContact O-OG1 3.44Å
383V90.9Very high90.1Very high83 Ų8373.9 Ų73.950%0.50339%0.392SS..Hα-helixtrans-62.4-43177.3173.70000110.8M379 F380 T386 H387M379-V383 WeakPolarHBondContact O-CG2 3.49Å; M379-V383 PolarHBondContact O-N 3.18Å; F380-V383 PolarHBondContact O-N 2.89Å; V383-T386 WeakPolarHBondContact CA-OG1 3.47Å; V383-T386 PolarHBondContact O-N 3.23Å; V383-T386 PolarHBondContact O-OG1 2.98Å; V383-H387 WeakPolarHBondContact O-CB 3.45Å; V383-H387 PolarHBondContact O-N 3.34Å
384L89.9Confident89.5Confident71 Ų7174.8 Ų74.837%0.37239%0.394SS..Hα-helixtrans-66.8-39.6178-173.664.1000112.2F380 K382 R388F380-L384 HydrophobicContact CE1-CD2 4.21Å; F380-L384 WeakPolarHBondContact O-CB 3.44Å; F380-L384 PolarHBondContact O-N 3.38Å; K382-L384 VanDerWaalsContact C-N 3.35Å; L384-R388 WeakPolarHBondContact O-CB 3.49Å; L384-R388 WeakPolarHBondContact O-CG 3.26Å; L384-R388 PolarHBondContact O-N 3.41Å
385M88Confident88.8Confident67 Ų6780.2 Ų80.233%0.3341%0.413SS..Hα-helixtrans-64-45.8177.5-176.161.8176.900111.5Y322 F325 S381 K382 R388 L389Y322-M385 HydrophobicContact CE1-CE 4.07Å; Y322-M385 HydrophobicContact CE1-CG 4.34Å; F325-M385 HydrophobicContact CE2-CB 4.46Å; S381-M385 VanDerWaalsContact O-CB 3.28Å; S381-M385 WeakPolarHBondContact O-CB 3.48Å; S381-M385 PolarHBondContact O-N 3.25Å; K382-M385 PolarHBondContact O-N 3.49Å; M385-R388 PolarHBondContact O-N 3.18Å; M385-L389 HydrophobicContact CE-CD1 4.04Å; M385-L389 HydrophobicContact CE-CD2 4.19Å; M385-L389 HydrophobicContact CE-CG 4.22Å; M385-L389 HydrophobicContact CG-CD1 4.01Å; M385-L389 WeakPolarHBondContact O-CD1 3.42Å; M385-L389 VanDerWaalsContact O-CG 3.29Å; M385-L389 WeakPolarHBondContact O-CG 3.33Å; M385-L389 PolarHBondContact O-N 3.17Å; M385-L389 HydrophobicContact SD-CD1 4.45Å
386T86.6Confident88.1Confident49 Ų4985.2 Ų85.230%0.30144%0.44SS..Hα-helixtrans-61-48.7177.545.50000111.5K382 V383 R388 L389 E390K382-T386 WeakPolarHBondContact O-CG2 3.41Å; K382-T386 PolarHBondContact O-N 3.04Å; K382-T386 PolarHBondContact O-OG1 3.44Å; V383-T386 WeakPolarHBondContact CA-OG1 3.47Å; V383-T386 PolarHBondContact O-N 3.23Å; V383-T386 PolarHBondContact O-OG1 2.98Å; T386-R388 VanDerWaalsContact C-N 3.31Å; T386-R388 PolarHBondContact O-N 3.17Å; T386-L389 PolarHBondContact O-N 3.26Å; T386-L389 VanDerWaalsContact O-N 3.15Å; T386-E390 PolarHBondContact O-N 2.91Å
387H87.1Confident87.1Confident114 Ų11490.3 Ų90.353%0.52846%0.457SS..Hα-helixtrans-56.1-43174.5-178.9-79.2000112.7V383 L389 E390 T391V383-H387 WeakPolarHBondContact O-CB 3.45Å; V383-H387 PolarHBondContact O-N 3.34Å; H387-L389 PolarHBondContact O-N 3.47Å; H387-E390 PolarHBondContact O-N 3.45Å; H387-T391 PolarHBondContact CE1-OG1 2.93Å; H387-T391 WeakPolarHBondContact O-CB 3.18Å; H387-T391 PolarHBondContact O-N 3.27Å; H387-T391 PolarHBondContact O-OG1 2.93Å
388R88.6Confident86.2Confident156 Ų15693.3 Ų93.359%0.58947%0.469SS*.Hα-helixtrans-63-41.6177.8-79.7-178.9173.7-166.5-1.2112.4L384 M385 T386 T391 L392L384-R388 WeakPolarHBondContact O-CB 3.49Å; L384-R388 WeakPolarHBondContact O-CG 3.26Å; L384-R388 PolarHBondContact O-N 3.41Å; M385-R388 PolarHBondContact O-N 3.18Å; T386-R388 VanDerWaalsContact C-N 3.31Å; T386-R388 PolarHBondContact O-N 3.17Å; R388-T391 PolarHBondContact O-N 3Å; R388-L392 WeakPolarHBondContact O-CB 3.34Å; R388-L392 VanDerWaalsContact O-CG 3.29Å; R388-L392 WeakPolarHBondContact O-CG 3.42Å; R388-L392 PolarHBondContact O-N 3.48Å
389L86.1Confident85.2Confident61 Ų6195.2 Ų95.232%0.31949%0.488SS..Hα-helixtrans-68.4-40.9179.8-68.9158.7000112.1Y322 M385 T386 H387 L392 A393Y322-L389 HydrophobicContact CE1-CD1 4.32Å; Y322-L389 HydrophobicContact CE2-CD1 3.75Å; Y322-L389 WeakPolarHBondContact OH-CD1 3.32Å; M385-L389 HydrophobicContact CE-CD1 4.04Å; M385-L389 HydrophobicContact CE-CD2 4.19Å; M385-L389 HydrophobicContact CE-CG 4.22Å; M385-L389 HydrophobicContact CG-CD1 4.01Å; M385-L389 WeakPolarHBondContact O-CD1 3.42Å; M385-L389 VanDerWaalsContact O-CG 3.29Å; M385-L389 WeakPolarHBondContact O-CG 3.33Å; M385-L389 PolarHBondContact O-N 3.17Å; M385-L389 HydrophobicContact SD-CD1 4.45Å; T386-L389 PolarHBondContact O-N 3.26Å; T386-L389 VanDerWaalsContact O-N 3.15Å; H387-L389 PolarHBondContact O-N 3.47Å; L389-L392 PolarHBondContact O-N 3.47Å; L389-A393 WeakPolarHBondContact O-CB 3.43Å; L389-A393 PolarHBondContact O-N 2.89Å
390E84.8Confident84.3Confident133 Ų13396.9 Ų96.962%0.62149%0.493SS*.Hα-helixtrans-61.7-45.7173.4-73.1178.5177.100110.8T386 H387 L392 A393 V394T386-E390 PolarHBondContact O-N 2.91Å; H387-E390 PolarHBondContact O-N 3.45Å; E390-L392 VanDerWaalsContact C-N 3.33Å; E390-L392 PolarHBondContact O-N 3.34Å; E390-A393 WeakPolarHBondContact O-CB 3.05Å; E390-A393 PolarHBondContact O-N 2.93Å; E390-A393 VanDerWaalsContact O-N 3.16Å; E390-V394 WeakPolarHBondContact O-CG2 3.05Å; E390-V394 PolarHBondContact O-N 2.05Å
391T85.8Confident83.3Confident74 Ų7492.7 Ų92.745%0.45448%0.483SS..Hα-helixtrans-59.9-42.5176.4-51.50000111.6H387 R388 V394 K395H387-T391 PolarHBondContact CE1-OG1 2.93Å; H387-T391 WeakPolarHBondContact O-CB 3.18Å; H387-T391 PolarHBondContact O-N 3.27Å; H387-T391 PolarHBondContact O-OG1 2.93Å; R388-T391 PolarHBondContact O-N 3Å; T391-V394 PolarHBondContact O-N 3.37Å; T391-K395 WeakPolarHBondContact O-CB 3.23Å; T391-K395 PolarHBondContact O-N 3.35Å
392L85.8Confident82.4Confident97 Ų9795.9 Ų95.951%0.50849%0.493SS..Hα-helixtrans-66.9-38175.7-74.5170.8000112.3R388 L389 E390 K395 N396R388-L392 WeakPolarHBondContact O-CB 3.34Å; R388-L392 VanDerWaalsContact O-CG 3.29Å; R388-L392 WeakPolarHBondContact O-CG 3.42Å; R388-L392 PolarHBondContact O-N 3.48Å; L389-L392 PolarHBondContact O-N 3.47Å; E390-L392 VanDerWaalsContact C-N 3.33Å; E390-L392 PolarHBondContact O-N 3.34Å; L392-K395 PolarHBondContact O-N 3.36Å; L392-N396 WeakPolarHBondContact O-CB 3.44Å; L392-N396 VanDerWaalsContact O-CG 3.23Å; L392-N396 PolarHBondContact O-N 3.33Å; L392-N396 PolarHBondContact O-ND2 2.96Å
393A83.6Confident81.5Confident55 Ų5596.2 Ų96.246%0.45550%0.503SS..Hα-helixtrans-63.6-46.3175.900000110.9L389 E390 N396 W397L389-A393 WeakPolarHBondContact O-CB 3.43Å; L389-A393 PolarHBondContact O-N 2.89Å; E390-A393 WeakPolarHBondContact O-CB 3.05Å; E390-A393 PolarHBondContact O-N 2.93Å; E390-A393 VanDerWaalsContact O-N 3.16Å; A393-N396 PolarHBondContact O-N 2.82Å; A393-W397 WeakPolarHBondContact O-CB 3.29Å; A393-W397 PolarHBondContact O-N 2.84Å
394V82.7Confident80.9Confident94 Ų94100.2 Ų100.257%0.5751%0.51SS*.Hα-helixtrans-59.8-48.1174.21730000110.7E390 T391 N396 W397 V398E390-V394 WeakPolarHBondContact O-CG2 3.05Å; E390-V394 PolarHBondContact O-N 2.05Å; T391-V394 PolarHBondContact O-N 3.37Å; V394-N396 PolarHBondContact O-N 3.25Å; V394-W397 WeakPolarHBondContact O-CB 3.3Å; V394-W397 PolarHBondContact O-N 3.44Å; V394-W397 VanDerWaalsContact O-N 3.11Å; V394-V398 HydrophobicContact CG1-CG2 4.43Å; V394-V398 WeakPolarHBondContact O-CG2 3.34Å; V394-V398 PolarHBondContact O-N 3.31Å
395K80.6Confident80.2Confident151 Ų151100 Ų10066%0.65751%0.514SS*.Hα-helixtrans-60.8-41.8178.4-173.3174.2-178.8174.20112.7T391 L392 W397 V398 G399T391-K395 WeakPolarHBondContact O-CB 3.23Å; T391-K395 PolarHBondContact O-N 3.35Å; L392-K395 PolarHBondContact O-N 3.36Å; K395-W397 VanDerWaalsContact C-N 3.31Å; K395-W397 PolarHBondContact O-N 3.39Å; K395-V398 PolarHBondContact O-N 3.5Å; K395-G399 PolarHBondContact O-N 2.92Å
396N79.7Confident79.6Confident107 Ų10799.5 Ų99.557%0.57252%0.517SS*.Hα-helixtrans-65.4-35.5175.5-76.4-19.8000112L392 A393 V394 K400L392-N396 WeakPolarHBondContact O-CB 3.44Å; L392-N396 VanDerWaalsContact O-CG 3.23Å; L392-N396 PolarHBondContact O-N 3.33Å; L392-N396 PolarHBondContact O-ND2 2.96Å; A393-N396 PolarHBondContact O-N 2.82Å; V394-N396 PolarHBondContact O-N 3.25Å; N396-K400 WeakPolarHBondContact O-CB 3.48Å; N396-K400 WeakPolarHBondContact O-CG 3.43Å; N396-K400 PolarHBondContact O-N 3.09Å
397W73.7Confident79Confident203 Ų20399.8 Ų99.877%0.76952%0.524SS*.Hα-helixtrans-66.3-46.9175-129.887.3000111.5A393 V394 K395 K400 A401A393-W397 WeakPolarHBondContact O-CB 3.29Å; A393-W397 PolarHBondContact O-N 2.84Å; V394-W397 WeakPolarHBondContact O-CB 3.3Å; V394-W397 PolarHBondContact O-N 3.44Å; V394-W397 VanDerWaalsContact O-N 3.11Å; K395-W397 VanDerWaalsContact C-N 3.31Å; K395-W397 PolarHBondContact O-N 3.39Å; W397-K400 PolarHBondContact O-N 2.91Å; W397-A401 WeakPolarHBondContact O-CB 3.43Å; W397-A401 PolarHBondContact O-N 3.47Å
398V75.1Confident78.6Confident95 Ų95100.4 Ų100.458%0.57653%0.526SS*.Hα-helixtrans-61.7-44.4175.1174.30000111.1V394 K395 K400 A401 H402V394-V398 HydrophobicContact CG1-CG2 4.43Å; V394-V398 WeakPolarHBondContact O-CG2 3.34Å; V394-V398 PolarHBondContact O-N 3.31Å; K395-V398 PolarHBondContact O-N 3.5Å; V398-K400 PolarHBondContact O-N 3.33Å; V398-A401 PolarHBondContact O-N 3.19Å; V398-H402 WeakPolarHBondContact O-CB 3.48Å; V398-H402 PolarHBondContact O-N 3.33Å
399G74.7Confident78.2Confident42 Ų4297.5 Ų97.543%0.43352%0.522SS..Hα-helixtrans-62.4-41.717700000113K395 H402 S403K395-G399 PolarHBondContact O-N 2.92Å; G399-H402 PolarHBondContact O-N 3.34Å; G399-S403 PolarHBondContact O-N 3.46Å
400K72.4Confident77.7Confident134 Ų13497.6 Ų97.658%0.58353%0.527SS*.Hα-helixtrans-62.9-46.6172-81.1-177.3179.8-178.60111.5N396 W397 V398 H402 S403 Y404N396-K400 WeakPolarHBondContact O-CB 3.48Å; N396-K400 WeakPolarHBondContact O-CG 3.43Å; N396-K400 PolarHBondContact O-N 3.09Å; W397-K400 PolarHBondContact O-N 2.91Å; V398-K400 PolarHBondContact O-N 3.33Å; K400-H402 VanDerWaalsContact C-N 3.28Å; K400-H402 PolarHBondContact O-N 3.41Å; K400-S403 PolarHBondContact O-N 3.45Å; K400-S403 VanDerWaalsContact O-N 3.14Å; K400-Y404 HydrophobicContact CB-CD2 4.34Å; K400-Y404 HydrophobicContact CB-CE2 4.14Å; K400-Y404 WeakPolarHBondContact O-CD2 3.3Å; K400-Y404 PolarHBondContact O-N 2.73Å
401A71.8Confident77.3Confident48 Ų4894 Ų9440%0.39752%0.516SS..Hα-helixtrans-58.1-41.6177.200000111.7W397 V398 Y404 C405W397-A401 WeakPolarHBondContact O-CB 3.43Å; W397-A401 PolarHBondContact O-N 3.47Å; V398-A401 PolarHBondContact O-N 3.19Å; A401-Y404 PolarHBondContact O-N 3.05Å; A401-C405 WeakPolarHBondContact O-CB 3.34Å; A401-C405 PolarHBondContact O-N 3.19Å
402H73.4Confident76.9Confident115 Ų11594.6 Ų94.653%0.53252%0.516SS..Hα-helixtrans-63.9-43.2174.5-166.884000112.2V398 G399 K400 C405 S406V398-H402 WeakPolarHBondContact O-CB 3.48Å; V398-H402 PolarHBondContact O-N 3.33Å; G399-H402 PolarHBondContact O-N 3.34Å; K400-H402 VanDerWaalsContact C-N 3.28Å; K400-H402 PolarHBondContact O-N 3.41Å; H402-C405 PolarHBondContact O-N 2.94Å; H402-S406 PolarHBondContact O-N 3.25Å; H402-S406 PolarHBondContact O-OG 3.47Å
403S71.7Confident76.5Confident71 Ų7193.7 Ų93.750%0.49751%0.51SS..Hα-helixtrans-64.7-37.3175.6-174.30000113.2G399 K400 S406 A407G399-S403 PolarHBondContact O-N 3.46Å; K400-S403 PolarHBondContact O-N 3.45Å; K400-S403 VanDerWaalsContact O-N 3.14Å; S403-S406 PolarHBondContact O-OG 2.85Å; S403-S406 VanDerWaalsContact O-OG 3.11Å; S403-A407 VanDerWaalsContact O-CB 3.25Å; S403-A407 WeakPolarHBondContact O-CB 3.43Å; S403-A407 PolarHBondContact O-N 3.33Å
404Y76.4Confident76Confident167 Ų16799.8 Ų99.866%0.65552%0.521SS*.Hα-helixtrans-68.3-40174.3-74.9-64.4000111K400 A401 F408K400-Y404 HydrophobicContact CB-CD2 4.34Å; K400-Y404 HydrophobicContact CB-CE2 4.14Å; K400-Y404 WeakPolarHBondContact O-CD2 3.3Å; K400-Y404 PolarHBondContact O-N 2.73Å; A401-Y404 PolarHBondContact O-N 3.05Å; Y404-F408 WeakPolarHBondContact O-CB 3.47Å; Y404-F408 PolarHBondContact O-N 3.23Å
405C76Confident75.6Confident67 Ų6799.4 Ų99.445%0.45352%0.519SS..Hα-helixtrans-64-45.4176.2-167.10000111.8A401 H402 F408 L409A401-C405 WeakPolarHBondContact O-CB 3.34Å; A401-C405 PolarHBondContact O-N 3.19Å; H402-C405 PolarHBondContact O-N 2.94Å; C405-F408 PolarHBondContact O-N 3.02Å; C405-L409 WeakPolarHBondContact O-CB 3.46Å; C405-L409 VanDerWaalsContact O-CG 3.28Å; C405-L409 WeakPolarHBondContact O-CG 3.09Å; C405-L409 PolarHBondContact O-N 2.89Å
406S74.7Confident75.1Confident57 Ų5797.5 Ų97.540%0.39951%0.508SS..Hα-helixtrans-68.4-39.4178.3660000112.9H402 S403 F408 L409 S410H402-S406 PolarHBondContact O-N 3.25Å; H402-S406 PolarHBondContact O-OG 3.47Å; S403-S406 PolarHBondContact O-OG 2.85Å; S403-S406 VanDerWaalsContact O-OG 3.11Å; S406-F408 VanDerWaalsContact C-N 3.32Å; S406-F408 PolarHBondContact O-N 3.44Å; S406-L409 PolarHBondContact O-N 3.44Å; S406-S410 WeakPolarHBondContact O-CB 3.44Å; S406-S410 PolarHBondContact O-N 2.61Å; S406-S410 PolarHBondContact O-OG 2.9Å; S406-S410 VanDerWaalsContact O-OG 3.05Å
407A75.1Confident74.6Confident54 Ų5497.9 Ų97.945%0.44651%0.507SS..Hα-helixtrans-61.5-42.4172.100000111.4S403 S410 S411S403-A407 VanDerWaalsContact O-CB 3.25Å; S403-A407 WeakPolarHBondContact O-CB 3.43Å; S403-A407 PolarHBondContact O-N 3.33Å; A407-S410 PolarHBondContact O-OG 3.46Å; A407-S411 WeakPolarHBondContact O-CB 3.39Å; A407-S411 PolarHBondContact O-N 2.86Å
408F78.9Confident74.5Confident128 Ų12893.6 Ų93.656%0.56150%0.502SS*.Hα-helixtrans-63.7-48.2175.6-175.9-105.7000111.9Y404 C405 S406 S410 S411 L412Y404-F408 WeakPolarHBondContact O-CB 3.47Å; Y404-F408 PolarHBondContact O-N 3.23Å; C405-F408 PolarHBondContact O-N 3.02Å; S406-F408 VanDerWaalsContact C-N 3.32Å; S406-F408 PolarHBondContact O-N 3.44Å; F408-S410 PolarHBondContact O-N 2.76Å; F408-S411 PolarHBondContact O-N 2.87Å; F408-S411 PolarHBondContact O-OG 2.91Å; F408-L412 HydrophobicContact CD1-CD1 3.86Å; F408-L412 HydrophobicContact CE1-CD1 3.45Å; F408-L412 VanDerWaalsContact CE1-CD1 3.45Å; F408-L412 HydrophobicContact CE1-CG 4.33Å; F408-L412 HydrophobicContact CZ-CD1 3.93Å; F408-L412 HydrophobicContact CZ-CG 4.43Å; F408-L412 PolarHBondContact O-N 3.48Å
409L79.5Confident74Confident95 Ų9595 Ų9550%0.49751%0.506SS..Hα-helixtrans-61.8-42.4178-72.3170.1000112.7C405 S406 S411 L412 Q413C405-L409 WeakPolarHBondContact O-CB 3.46Å; C405-L409 VanDerWaalsContact O-CG 3.28Å; C405-L409 WeakPolarHBondContact O-CG 3.09Å; C405-L409 PolarHBondContact O-N 2.89Å; S406-L409 PolarHBondContact O-N 3.44Å; L409-S411 VanDerWaalsContact C-N 3.34Å; L409-S411 PolarHBondContact O-N 3.22Å; L409-L412 WeakPolarHBondContact O-CB 3.28Å; L409-L412 PolarHBondContact O-N 3.06Å; L409-Q413 PolarHBondContact O-N 3.04Å
410S75.3Confident73.3Confident62 Ų6297.4 Ų97.443%0.43451%0.506SS..Hα-helixtrans-66.7-33.4176.462.60000113.1S406 A407 F408 Q413 R414S406-S410 WeakPolarHBondContact O-CB 3.44Å; S406-S410 PolarHBondContact O-N 2.61Å; S406-S410 PolarHBondContact O-OG 2.9Å; S406-S410 VanDerWaalsContact O-OG 3.05Å; A407-S410 PolarHBondContact O-OG 3.46Å; F408-S410 PolarHBondContact O-N 2.76Å; S410-Q413 PolarHBondContact O-N 3.41Å; S410-R414 PolarHBondContact O-N 2.93Å; S410-R414 VanDerWaalsContact O-N 3.08Å
411S76.6Confident72.4Confident57 Ų5798.9 Ų98.940%0.39952%0.519SS..Hα-helixtrans-67-39.7173.175.40000111.9A407 F408 L409 R414 V415A407-S411 WeakPolarHBondContact O-CB 3.39Å; A407-S411 PolarHBondContact O-N 2.86Å; F408-S411 PolarHBondContact O-N 2.87Å; F408-S411 PolarHBondContact O-OG 2.91Å; L409-S411 VanDerWaalsContact C-N 3.34Å; L409-S411 PolarHBondContact O-N 3.22Å; S411-R414 PolarHBondContact O-N 3.15Å; S411-V415 WeakPolarHBondContact O-CG2 3.25Å; S411-V415 PolarHBondContact O-N 3.32Å
412L78Confident71.4Confident87 Ų8799.9 Ų99.946%0.45553%0.534SS..Hα-helixtrans-63.6-41.8173.5-75.3170.7000111.8F408 L409 R414 V415 Y416F408-L412 HydrophobicContact CD1-CD1 3.86Å; F408-L412 HydrophobicContact CE1-CD1 3.45Å; F408-L412 VanDerWaalsContact CE1-CD1 3.45Å; F408-L412 HydrophobicContact CE1-CG 4.33Å; F408-L412 HydrophobicContact CZ-CD1 3.93Å; F408-L412 HydrophobicContact CZ-CG 4.43Å; F408-L412 PolarHBondContact O-N 3.48Å; L409-L412 WeakPolarHBondContact O-CB 3.28Å; L409-L412 PolarHBondContact O-N 3.06Å; L412-R414 PolarHBondContact O-N 2.65Å; L412-V415 PolarHBondContact O-N 3.37Å; L412-Y416 WeakPolarHBondContact O-CB 3.23Å; L412-Y416 PolarHBondContact O-N 3.5Å
413Q76.2Confident70.1Confident79 Ų7999 Ų9937%0.36954%0.537SS..Hα-helixtrans-60.4-44.8175.8-169.2112.7-1300111.8L409 S410 Y416 E417L409-Q413 PolarHBondContact O-N 3.04Å; S410-Q413 PolarHBondContact O-N 3.41Å; Q413-Y416 WeakPolarHBondContact O-CB 3.39Å; Q413-Y416 PolarHBondContact O-N 3.44Å; Q413-E417 WeakPolarHBondContact O-CG 3.42Å; Q413-E417 PolarHBondContact O-N 3.32Å
414R73.4Confident68.7Low183 Ų183101.8 Ų101.869%0.69155%0.553SS**Hα-helixtrans-63.9-41176.2-75.9-173.2-165.7-1623.2112.8S410 S411 L412 Y416 E417 V418S410-R414 PolarHBondContact O-N 2.93Å; S410-R414 VanDerWaalsContact O-N 3.08Å; S411-R414 PolarHBondContact O-N 3.15Å; L412-R414 PolarHBondContact O-N 2.65Å; R414-Y416 VanDerWaalsContact C-N 3.28Å; R414-Y416 PolarHBondContact O-N 3.34Å; R414-E417 PolarHBondContact O-N 3.1Å; R414-V418 VanDerWaalsContact O-CG2 3.29Å; R414-V418 WeakPolarHBondContact O-CG2 3.49Å; R414-V418 PolarHBondContact O-N 2.88Å
415V74Confident67.3Low86 Ų8698.4 Ų98.452%0.52155%0.55SS..Hα-helixtrans-61.8-41.4176170.40000110.1S411 L412 V418 L419S411-V415 WeakPolarHBondContact O-CG2 3.25Å; S411-V415 PolarHBondContact O-N 3.32Å; L412-V415 PolarHBondContact O-N 3.37Å; V415-V418 PolarHBondContact O-N 3.34Å; V415-L419 HydrophobicContact CG1-CD1 3.8Å; V415-L419 WeakPolarHBondContact O-CB 3.45Å; V415-L419 WeakPolarHBondContact O-CD1 3.34Å; V415-L419 PolarHBondContact O-N 3.29Å
416Y70.1Confident65.6Low110 Ų110101.2 Ų101.243%0.43156%0.564SS.*Hα-helixtrans-64.4-45.1175.5-172.5-95.5000112.7L412 Q413 R414 V418 L419 H420L412-Y416 WeakPolarHBondContact O-CB 3.23Å; L412-Y416 PolarHBondContact O-N 3.5Å; Q413-Y416 WeakPolarHBondContact O-CB 3.39Å; Q413-Y416 PolarHBondContact O-N 3.44Å; R414-Y416 VanDerWaalsContact C-N 3.28Å; R414-Y416 PolarHBondContact O-N 3.34Å; Y416-V418 PolarHBondContact O-N 3.34Å; Y416-L419 PolarHBondContact O-N 3.19Å; Y416-H420 AromaticContact CE2-CD2 3.62Å; Y416-H420 AromaticContact CZ-CD2 3.54Å; Y416-H420 WeakPolarHBondContact O-CB 3.33Å; Y416-H420 PolarHBondContact O-N 2.87Å
417E70.8Confident64.2Low116 Ų116103.3 Ų103.354%0.54257%0.571SS.*Hα-helixtrans-61.7-39.9176.2-75.7175.6-178.300112.8Q413 R414 H420 L421Q413-E417 WeakPolarHBondContact O-CG 3.42Å; Q413-E417 PolarHBondContact O-N 3.32Å; R414-E417 PolarHBondContact O-N 3.1Å; E417-H420 CarbonylContact O-C 3.55Å; E417-H420 VanDerWaalsContact O-C 3.27Å; E417-H420 PolarHBondContact O-N 3.17Å; E417-L421 PolarHBondContact O-N 3.13Å
418V69.6Low62.3Low112 Ų112107.8 Ų107.868%0.67959%0.587SS**Hα-helixtrans-68.3-39.9176.3171.80000111.4R414 V415 Y416 H420R414-V418 VanDerWaalsContact O-CG2 3.29Å; R414-V418 WeakPolarHBondContact O-CG2 3.49Å; R414-V418 PolarHBondContact O-N 2.88Å; V415-V418 PolarHBondContact O-N 3.34Å; Y416-V418 PolarHBondContact O-N 3.34Å; V418-H420 VanDerWaalsContact C-N 3.26Å; V418-H420 PolarHBondContact O-N 2.9Å
419L66.4Low60.7Low124 Ų124105.8 Ų105.865%0.64959%0.589SS**Hα-helixtrans-67.7-28.2175.5-86.5156.9000112.3V415 Y416V415-L419 HydrophobicContact CG1-CD1 3.8Å; V415-L419 WeakPolarHBondContact O-CB 3.45Å; V415-L419 WeakPolarHBondContact O-CD1 3.34Å; V415-L419 PolarHBondContact O-N 3.29Å; Y416-L419 PolarHBondContact O-N 3.19Å
420H58.3Low58.6Low93 Ų93109.6 Ų109.643%0.43160%0.604SS.*THydrogen-bonded Turntrans-125.656-174.2-67.3-7.7000112.2Y416 E417 V418 G422Y416-H420 AromaticContact CE2-CD2 3.62Å; Y416-H420 AromaticContact CZ-CD2 3.54Å; Y416-H420 WeakPolarHBondContact O-CB 3.33Å; Y416-H420 PolarHBondContact O-N 2.87Å; E417-H420 CarbonylContact O-C 3.55Å; E417-H420 VanDerWaalsContact O-C 3.27Å; E417-H420 PolarHBondContact O-N 3.17Å; V418-H420 VanDerWaalsContact C-N 3.26Å; V418-H420 PolarHBondContact O-N 2.9Å; H420-G422 PolarHBondContact O-N 2.69Å
421L53.4Low56.9Low166 Ų166111.3 Ų111.387%0.86961%0.612SS**THydrogen-bonded Turntrans-58.382.7152.3-82.4159.2000109E417E417-L421 PolarHBondContact O-N 3.13Å
422G51.6Low55Low68 Ų68114.7 Ų114.770%0.70162%0.624SS**THydrogen-bonded Turntrans168.5-16.9173.700000118.6H420H420-G422 PolarHBondContact O-N 2.69Å
423T46.2Very low53.5Low97 Ų97116 Ų11660%0.59563%0.631SS**  trans-145.9131177.451.90000113.4
424P43.3Very low51.6Low129 Ų129118.8 Ų118.884%0.83865%0.648SS**  trans-83.3123.1176.531.9-29.5000110.3
425V46.2Very low50Low97 Ų97119.1 Ų119.159%0.58866%0.657SS**  trans-125115.4165-179.30000108.2L427V425-L427 PolarHBondContact O-N 3.16Å
426V40.8Very low48.7Very low125 Ų125124.8 Ų124.876%0.75869%0.692SS**  trans-70.7104.7173178.40000108N428V426-N428 PolarHBondContact O-N 3.23Å; V426-N428 VanDerWaalsContact O-N 3.15Å
427L45.4Very low47.6Very low102 Ų102125.6 Ų125.653%0.53471%0.705SS.*  trans-79.586.7168.6-85.8159000108.9V425 S429V425-L427 PolarHBondContact O-N 3.16Å; L427-S429 VanDerWaalsContact C-N 3.34Å; L427-S429 PolarHBondContact O-N 2.97Å
428N34.9Very low46.4Very low148 Ų148126.1 Ų126.179%0.79171%0.713SS**  trans-64.999.3158.7-87.5-5.2000107.6V426V426-N428 PolarHBondContact O-N 3.23Å; V426-N428 VanDerWaalsContact O-N 3.15Å
429S44.3Very low45.1Very low86 Ų86126.8 Ų126.860%0.60172%0.715SS**  trans-114.280.4164.937.90000108L427 V431L427-S429 VanDerWaalsContact C-N 3.34Å; L427-S429 PolarHBondContact O-N 2.97Å; S429-V431 PolarHBondContact O-N 3Å
430E35.5Very low43.9Very low174 Ų174127 Ų12781%0.81372%0.719SS**  trans-63.491.4154.9-81.4-176.6153.800107.3I432E430-I432 VanDerWaalsContact C-N 3.29Å; E430-I432 HydrophobicContact CB-CG1 4.46Å; E430-I432 PolarHBondContact O-N 3.22Å
431V41Very low43Very low99 Ų99129.1 Ų129.160%0.674%0.737SS**  trans-84.185164.9176.20000106.4S429 I433S429-V431 PolarHBondContact O-N 3Å; V431-I433 HydrophobicContact CG1-CD1 3.69Å; V431-I433 HydrophobicContact CG1-CG1 3.65Å; V431-I433 PolarHBondContact O-N 3.03Å
432I36.7Very low42.3Very low128 Ų128126.7 Ų126.766%0.65673%0.728SS**  trans-72.5105.3165.4-59.1173.4000106.1E430E430-I432 VanDerWaalsContact C-N 3.29Å; E430-I432 HydrophobicContact CB-CG1 4.46Å; E430-I432 PolarHBondContact O-N 3.22Å
433I46Very low41.6Very low114 Ų114130.9 Ų130.959%0.58573%0.73SS**  trans-106105.3164.1-64169.3000105.4V431 H435V431-I433 HydrophobicContact CG1-CD1 3.69Å; V431-I433 HydrophobicContact CG1-CG1 3.65Å; V431-I433 PolarHBondContact O-N 3.03Å; I433-H435 PolarHBondContact O-N 2.87Å
434D36.1Very low41.3Very low137 Ų137133.5 Ų133.573%0.73374%0.74SS**  trans-54122.2174.6-85.4-34.4000110.2V436D434-V436 PolarHBondContact O-N 3.13Å
435H40.5Very low41.1Very low190 Ų190133.8 Ų133.888%0.8873%0.732SS**  trans-76.9105.8161.8-83.8-60000107.9I433I433-H435 PolarHBondContact O-N 2.87Å
436V46Very low40.6Very low206 Ų206137.2 Ų137.2100%1.24875%0.745SS**  trans-790156.8-179.40000109.2D434D434-V436 PolarHBondContact O-N 3.13Å

Retrieved 436 of 436 residues in 2411.4 ms (Link to these results)

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