A0A093I7C1_STRCA Loading...

Zinc finger and BTB domain-containing protein 49

Transcription factor. Inhibits cell proliferation by activating either CDKN1A/p21 transcription or RB1 transcription.

AlphaFold DB , UniProt , Accession A0A093I7C1, Species STRCA (Struthio camelus australis), Gene n/a, Length 762 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
1M45.2Very low45Very low228 Ų228110.4 Ų110.4100%1.12362%0.622SS**  076.60-82.5-60.6-162.200106.6T3M1-T3 PolarHBondContact O-N 3.3Å
2D39.8Very low45.1Very low122 Ų122110.8 Ų110.865%0.65262%0.62SS**  trans-85.4112.3-167.5-65.2-79.3000110.9V4 A5 S6D2-V4 PolarHBondContact O-N 3.02Å; D2-A5 HydrophobicContact CB-CB 4.29Å; D2-A5 WeakPolarHBondContact O-CB 3.45Å; D2-A5 PolarHBondContact O-N 2.92Å; D2-S6 PolarHBondContact O-N 3.2Å
3T45.4Very low45.7Very low110 Ų110113.2 Ų113.268%0.67562%0.624SS**Hα-helixtrans-58-26.3174.549.70000112.1M1 A5 S6 H7M1-T3 PolarHBondContact O-N 3.3Å; T3-A5 VanDerWaalsContact C-N 3.33Å; T3-S6 PolarHBondContact O-OG 3.47Å; T3-S6 VanDerWaalsContact O-OG 3.07Å; T3-H7 VanDerWaalsContact O-CB 3.3Å; T3-H7 WeakPolarHBondContact O-CB 3.02Å; T3-H7 PolarHBondContact O-N 3.24Å
4V46.7Very low45.8Very low110 Ų110111.9 Ų111.967%0.66761%0.611SS**Hα-helixtrans-65.1-35.8173.4-174.20000111.8D2 S8D2-V4 PolarHBondContact O-N 3.02Å; V4-S8 WeakPolarHBondContact O-CB 3.34Å; V4-S8 PolarHBondContact O-N 3.11Å; V4-S8 VanDerWaalsContact O-N 3.15Å; V4-S8 PolarHBondContact O-OG 3.22Å
5A47.7Very low45.8Very low53 Ų53108.1 Ų108.144%0.43859%0.589SS.*Hα-helixtrans-74.2-40.5-179.800000111.8D2 T3 S8 C9D2-A5 HydrophobicContact CB-CB 4.29Å; D2-A5 WeakPolarHBondContact O-CB 3.45Å; D2-A5 PolarHBondContact O-N 2.92Å; T3-A5 VanDerWaalsContact C-N 3.33Å; A5-S8 PolarHBondContact O-OG 3.46Å; A5-S8 VanDerWaalsContact O-OG 3.09Å; A5-C9 WeakPolarHBondContact O-CB 3.39Å; A5-C9 PolarHBondContact O-N 3.14Å
6S46.7Very low46Very low77 Ų77107.7 Ų107.754%0.53858%0.582SS.*Hα-helixtrans-66.9-41173.860.10000111.9D2 T3 S8 C9 H10D2-S6 PolarHBondContact O-N 3.2Å; T3-S6 PolarHBondContact O-OG 3.47Å; T3-S6 VanDerWaalsContact O-OG 3.07Å; S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 2.96Å; S6-C9 PolarHBondContact O-N 3.05Å; S6-H10 WeakPolarHBondContact O-CB 3.46Å; S6-H10 PolarHBondContact O-N 2.89Å
7H44.8Very low46.3Very low148 Ų148107.9 Ų107.969%0.68558%0.579SS**Hα-helixtrans-66.8-31.1-179.2-144.4-48.1000113.4T3 L11T3-H7 VanDerWaalsContact O-CB 3.3Å; T3-H7 WeakPolarHBondContact O-CB 3.02Å; T3-H7 PolarHBondContact O-N 3.24Å; H7-L11 WeakPolarHBondContact O-CB 3.4Å; H7-L11 PolarHBondContact O-N 2.76Å
8S42.9Very low46.3Very low56 Ų56105.8 Ų105.839%0.39257%0.565SS.*Hα-helixtrans-78.6-41.3174.747.30000112.4V4 A5 S6 H10 L11 L12V4-S8 WeakPolarHBondContact O-CB 3.34Å; V4-S8 PolarHBondContact O-N 3.11Å; V4-S8 VanDerWaalsContact O-N 3.15Å; V4-S8 PolarHBondContact O-OG 3.22Å; A5-S8 PolarHBondContact O-OG 3.46Å; A5-S8 VanDerWaalsContact O-OG 3.09Å; S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 2.96Å; S8-H10 PolarHBondContact O-N 2.81Å; S8-L11 PolarHBondContact O-N 2.75Å; S8-L12 VanDerWaalsContact O-CD1 3.26Å; S8-L12 WeakPolarHBondContact O-CD1 3.15Å; S8-L12 PolarHBondContact O-N 3.2Å
9C44.4Very low46.4Very low84 Ų84108.4 Ų108.457%0.56857%0.565SS**Hα-helixtrans-59.8-44.4170.4-77.90000112.3A5 S6 L11 L12 Q13A5-C9 WeakPolarHBondContact O-CB 3.39Å; A5-C9 PolarHBondContact O-N 3.14Å; S6-C9 PolarHBondContact O-N 3.05Å; C9-L11 VanDerWaalsContact C-N 3.3Å; C9-L11 PolarHBondContact O-N 3.25Å; C9-L12 PolarHBondContact O-N 3.17Å; C9-Q13 WeakPolarHBondContact O-CB 3.5Å; C9-Q13 PolarHBondContact O-N 3.38Å
10H44.7Very low46.5Very low131 Ų131109.4 Ų109.461%0.60657%0.57SS**Hα-helixtrans-64.4-35.1179-160-47.8000112S6 S8 Q14S6-H10 WeakPolarHBondContact O-CB 3.46Å; S6-H10 PolarHBondContact O-N 2.89Å; S8-H10 PolarHBondContact O-N 2.81Å; H10-Q14 WeakPolarHBondContact O-CB 3.46Å; H10-Q14 PolarHBondContact O-N 2.95Å
11L46.8Very low46.2Very low95 Ų95109.8 Ų109.850%0.49757%0.569SS.*Hα-helixtrans-68.5-42.3173.2-170.771.9000111.8H7 S8 C9 Q13 Q14 L15H7-L11 WeakPolarHBondContact O-CB 3.4Å; H7-L11 PolarHBondContact O-N 2.76Å; S8-L11 PolarHBondContact O-N 2.75Å; C9-L11 VanDerWaalsContact C-N 3.3Å; C9-L11 PolarHBondContact O-N 3.25Å; L11-Q13 VanDerWaalsContact C-N 3.34Å; L11-Q13 PolarHBondContact O-N 3.26Å; L11-Q14 PolarHBondContact O-N 2.91Å; L11-L15 HydrophobicContact CG-CD1 4.24Å; L11-L15 WeakPolarHBondContact O-CB 3.27Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.15Å; L11-L15 PolarHBondContact O-N 2.85Å
12L46.7Very low46Very low115 Ų115101.4 Ų101.460%0.60254%0.542SS*.Hα-helixtrans-61.3-41.6173.7-9893.1000111.9S8 C9 L15 H16S8-L12 VanDerWaalsContact O-CD1 3.26Å; S8-L12 WeakPolarHBondContact O-CD1 3.15Å; S8-L12 PolarHBondContact O-N 3.2Å; C9-L12 PolarHBondContact O-N 3.17Å; L12-L15 PolarHBondContact O-N 3.48Å; L12-H16 WeakPolarHBondContact O-CB 3.41Å; L12-H16 PolarHBondContact O-N 3.35Å
13Q52.8Low46.3Very low142 Ų142101.8 Ų101.866%0.66454%0.543SS*.Hα-helixtrans-67.7-43179.6-170.7162.5-10.100111.5C9 L11 L15 H16 E17C9-Q13 WeakPolarHBondContact O-CB 3.5Å; C9-Q13 PolarHBondContact O-N 3.38Å; L11-Q13 VanDerWaalsContact C-N 3.34Å; L11-Q13 PolarHBondContact O-N 3.26Å; Q13-L15 VanDerWaalsContact C-N 3.35Å; Q13-L15 PolarHBondContact O-N 3.17Å; Q13-H16 WeakPolarHBondContact O-CB 3.25Å; Q13-H16 PolarHBondContact O-N 3.44Å; Q13-H16 VanDerWaalsContact O-N 3.13Å; Q13-E17 WeakPolarHBondContact O-CB 3.43Å; Q13-E17 PolarHBondContact O-N 3.04Å
14Q46.6Very low46.1Very low95 Ų9599.2 Ų99.244%0.44453%0.525SS..Hα-helixtrans-63.4-38.1174.4-166.6175.725.800112.4H10 L11 E17 Q18H10-Q14 WeakPolarHBondContact O-CB 3.46Å; H10-Q14 PolarHBondContact O-N 2.95Å; L11-Q14 PolarHBondContact O-N 2.91Å; Q14-E17 PolarHBondContact O-N 3.3Å; Q14-Q18 WeakPolarHBondContact O-CG 3.26Å; Q14-Q18 PolarHBondContact O-N 2.67Å
15L46.1Very low46.1Very low55 Ų5598.7 Ų98.729%0.28853%0.525SS..Hα-helixtrans-68.5-33.4172.2-73.6169.3000112.6L11 L12 Q13 R19 L24L11-L15 HydrophobicContact CG-CD1 4.24Å; L11-L15 WeakPolarHBondContact O-CB 3.27Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.15Å; L11-L15 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 3.48Å; Q13-L15 VanDerWaalsContact C-N 3.35Å; Q13-L15 PolarHBondContact O-N 3.17Å; L15-R19 VanDerWaalsContact O-CB 3.25Å; L15-R19 WeakPolarHBondContact O-CB 3.3Å; L15-R19 PolarHBondContact O-N 3.22Å; L15-L24 HydrophobicContact CD2-CD1 4.36Å
16H48.1Very low46.3Very low102 Ų10298.5 Ų98.547%0.47252%0.517SS..Hα-helixtrans-68.7-39.7174.2-169.3110.5000111.4L12 Q13 R19 I20L12-H16 WeakPolarHBondContact O-CB 3.41Å; L12-H16 PolarHBondContact O-N 3.35Å; Q13-H16 WeakPolarHBondContact O-CB 3.25Å; Q13-H16 PolarHBondContact O-N 3.44Å; Q13-H16 VanDerWaalsContact O-N 3.13Å; H16-R19 WeakPolarHBondContact O-CB 3.4Å; H16-R19 PolarHBondContact O-N 3.41Å; H16-I20 WeakPolarHBondContact O-CG1 3.24Å; H16-I20 PolarHBondContact O-N 3.42Å
17E52.5Low46.5Very low112 Ų11295.4 Ų95.452%0.52350%0.495SS..Hα-helixtrans-67.3-45.2177.5-164.8160.5-130.100111.5Q13 Q14 R19 I20 Q21Q13-E17 WeakPolarHBondContact O-CB 3.43Å; Q13-E17 PolarHBondContact O-N 3.04Å; Q14-E17 PolarHBondContact O-N 3.3Å; E17-R19 PolarHBondContact O-N 2.86Å; E17-I20 PolarHBondContact O-N 3.29Å; E17-I20 VanDerWaalsContact O-N 3.14Å; E17-Q21 WeakPolarHBondContact O-CG 3.3Å; E17-Q21 PolarHBondContact O-N 3.49Å
18Q46.1Very low46.9Very low70 Ų7091.1 Ų91.133%0.32748%0.476SS..Hα-helixtrans-65.2-24.9171.9-70.9-178.3-600113.4Q14 G22 L23 L24Q14-Q18 WeakPolarHBondContact O-CG 3.26Å; Q14-Q18 PolarHBondContact O-N 2.67Å; Q18-G22 PolarHBondContact O-N 3.2Å; Q18-L23 PolarHBondContact O-N 3.24Å; Q18-L24 HydrophobicContact CB-CD1 4.07Å
19R47.1Very low47.4Very low154 Ų15489.1 Ų89.158%0.58146%0.46SS*.Hα-helixtrans-72.9-39.7171.3-178.9-170.6-172.3-152.73.6111.7L15 H16 E17 G22L15-R19 VanDerWaalsContact O-CB 3.25Å; L15-R19 WeakPolarHBondContact O-CB 3.3Å; L15-R19 PolarHBondContact O-N 3.22Å; H16-R19 WeakPolarHBondContact O-CB 3.4Å; H16-R19 PolarHBondContact O-N 3.41Å; E17-R19 PolarHBondContact O-N 2.86Å; R19-G22 PolarHBondContact O-N 2.89Å
20I48.1Very low47.6Very low129 Ų12986.1 Ų86.166%0.66244%0.439SS*.Hα-helixtrans-64.9-43.3172.9-69.9170.8000110.6H16 E17 G22H16-I20 WeakPolarHBondContact O-CG1 3.24Å; H16-I20 PolarHBondContact O-N 3.42Å; E17-I20 PolarHBondContact O-N 3.29Å; E17-I20 VanDerWaalsContact O-N 3.14Å; I20-G22 PolarHBondContact O-N 2.83Å; I20-G22 VanDerWaalsContact O-N 3.17Å
21Q41.8Very low47.9Very low117 Ų11781.6 Ų81.655%0.54742%0.421SS..THydrogen-bonded Turntrans-69-6.6176.8-66.6169.61.900113.6E17 L23E17-Q21 WeakPolarHBondContact O-CG 3.3Å; E17-Q21 PolarHBondContact O-N 3.49Å; Q21-L23 HydrophobicContact CB-CD1 4.13Å; Q21-L23 HydrophobicContact CB-CG 4.28Å; Q21-L23 PolarHBondContact O-N 2.92Å
22G39.6Very low47.7Very low53 Ų5385.5 Ų85.555%0.54643%0.434SS..THydrogen-bonded Turntrans72.58.5174.200000115.6Q18 R19 I20 L24Q18-G22 PolarHBondContact O-N 3.2Å; R19-G22 PolarHBondContact O-N 2.89Å; I20-G22 PolarHBondContact O-N 2.83Å; I20-G22 VanDerWaalsContact O-N 3.17Å; G22-L24 VanDerWaalsContact C-N 3.32Å; G22-L24 PolarHBondContact O-N 3.47Å
23L47.7Very low47.5Very low130 Ų13083 Ų8368%0.68144%0.436SS*.  trans-77.4-11.9-170.5-70.7169.3000114.4Q18 Q21Q18-L23 PolarHBondContact O-N 3.24Å; Q21-L23 HydrophobicContact CB-CD1 4.13Å; Q21-L23 HydrophobicContact CB-CG 4.28Å; Q21-L23 PolarHBondContact O-N 2.92Å
24L41.3Very low47Very low55 Ų5580.1 Ų80.129%0.28843%0.428SS..  trans-127.1103.1-175.9-64.4178.2000113L15 Q18 G22 H39L15-L24 HydrophobicContact CD2-CD1 4.36Å; Q18-L24 HydrophobicContact CB-CD1 4.07Å; G22-L24 VanDerWaalsContact C-N 3.32Å; G22-L24 PolarHBondContact O-N 3.47Å; L24-H39 PolarHBondContact O-CE1 2.76Å; L24-H39 PolarHBondContact O-ND1 3.2Å; L24-H39 VanDerWaalsContact O-ND1 3.12Å
25C45.4Very low47Very low100 Ų10079.2 Ų79.268%0.67643%0.431SS*.  trans-139.2120.2170.9-82.30000109.3
26D52.7Low47.3Very low49 Ų4981 Ų8126%0.26244%0.437SS..  trans-149.5-14.3-167-115.9-65.9000118.5K40D26-K40 HydrophobicContact CB-CD 3.95Å; D26-K40 HydrophobicContact CB-CG 4.15Å; D26-K40 WeakPolarHBondContact O-CE 3.47Å; D26-K40 PolarHBondContact O-NZ 2.85Å; D26-K40 IonicContact OD1-NZ 2.91Å; D26-K40 PolarHBondContact OD1-NZ 3.26Å
27C50Low47.3Very low12 Ų1284.8 Ų84.88%0.08145%0.452CS..EExtended strand (participates in β ladder)trans-148.3151.3172.961.20000115.5A38 K40 D63 F65C27-A38 PolarHBondContact O-N 3.01Å; C27-A38 VanDerWaalsContact O-O 3.13Å; C27-A38 PolarHBondContact SG-O 3.4Å; C27-K40 HydrophobicContact CB-CG 3.83Å; C27-D63 WeakPolarHBondContact CA-O 3.48Å; C27-F65 HydrophobicContact CB-CD2 4.05Å; C27-F65 HydrophobicContact CB-CE2 3.95Å
28M53Low47.4Very low58 Ų5880.7 Ų80.729%0.28644%0.437SS..EExtended strand (participates in β ladder)trans-125.5124.1171.8-165.5-176.1-47.100109.3C35 F36 D63 I64 F65M28-C35 HydrophobicContact CG-CB 4.31Å; M28-C35 HydrophobicContact SD-CB 4Å; M28-F36 CarbonylContact C-O 3.59Å; M28-F36 WeakPolarHBondContact CA-O 3.33Å; M28-D63 PolarHBondContact N-O 2.86Å; M28-D63 VanDerWaalsContact N-O 3.12Å; M28-I64 HydrophobicContact CB-CG1 4.4Å; M28-I64 CarbonylContact O-C 3.56Å; M28-I64 WeakPolarHBondContact O-CA 3.44Å; M28-F65 PolarHBondContact O-N 3.39Å
29L54.3Low48.1Very low13 Ų1380 Ų807%0.06843%0.434CS..EExtended strand (participates in β ladder)trans-96.8132.2176.3-49.7-177.5000108.9C35 F36 L43 F65 L67L29-C35 CarbonylContact O-C 3.59Å; L29-C35 WeakPolarHBondContact O-CA 3.42Å; L29-F36 HydrophobicContact CB-CB 4.38Å; L29-F36 PolarHBondContact N-O 2.99Å; L29-F36 PolarHBondContact O-N 3.19Å; L29-L43 HydrophobicContact CD1-CD1 3.97Å; L29-L43 HydrophobicContact CD2-CD1 4.27Å; L29-L43 HydrophobicContact CG-CD1 4.43Å; L29-F65 WeakPolarHBondContact CA-O 3.5Å; L29-F65 HydrophobicContact CD2-CB 3.98Å; L29-F65 HydrophobicContact CD2-CD2 4.31Å; L29-L67 HydrophobicContact CB-CD1 4.25Å; L29-L67 HydrophobicContact CD2-CD1 4.05Å
30V48.7Very low48.6Very low21 Ų2173.9 Ų73.913%0.12741%0.411CS..EExtended strand (participates in β ladder)trans-117.7116.4177.1-173.40000109.9V34 I64 F65 L67V30-V34 WeakPolarHBondContact CA-O 3.2Å; V30-I64 HydrophobicContact CG2-CG2 3.84Å; V30-F65 PolarHBondContact N-O 3.24Å; V30-L67 PolarHBondContact O-N 2.67Å
31V50.1Low48.9Very low37 Ų3772.9 Ų72.922%0.22441%0.407CS..EExtended strand (participates in β ladder)trans-125.7114.8-178.4-175.90000108.3G33 V34 F36 L67 I69V31-G33 PolarHBondContact O-N 3.34Å; V31-V34 PolarHBondContact N-O 3.41Å; V31-V34 PolarHBondContact O-N 2.84Å; V31-F36 HydrophobicContact CB-CE2 4.3Å; V31-L67 HydrophobicContact CG2-CB 4.5Å; V31-I69 HydrophobicContact CG1-CD1 3.72Å; V31-I69 HydrophobicContact CG1-CG1 3.95Å
32K43.5Very low49.5Very low177 Ų17769.5 Ų69.577%0.7739%0.394SS*.THydrogen-bonded Turntrans51.826.1-179.1-108.7169.6-169.4-179.20115I69K32-I69 HydrophobicContact CB-CD1 3.86Å; K32-I69 HydrophobicContact CD-CD1 3.66Å; K32-I69 HydrophobicContact CG-CD1 3.49Å; K32-I69 VanDerWaalsContact CG-CD1 3.49Å
33G41.6Very low50.4Low62 Ų6268 Ų6864%0.63937%0.374SS*.THydrogen-bonded Turntrans92.8-7.6-177.600000115.1V31V31-G33 PolarHBondContact O-N 3.34Å
34V43.6Very low50.8Low81 Ų8162.7 Ų62.749%0.49135%0.349SS..EExtended strand (participates in β ladder)trans-83.5125.8170.8-172.80000109.1V30 V31 F36V30-V34 WeakPolarHBondContact CA-O 3.2Å; V31-V34 PolarHBondContact N-O 3.41Å; V31-V34 PolarHBondContact O-N 2.84Å; V34-F36 HydrophobicContact CB-CE2 3.85Å; V34-F36 HydrophobicContact CB-CZ 4.2Å; V34-F36 HydrophobicContact CG1-CD2 4.22Å; V34-F36 HydrophobicContact CG1-CE1 4.17Å; V34-F36 HydrophobicContact CG1-CE2 3.56Å; V34-F36 HydrophobicContact CG1-CZ 3.53Å
35C44.9Very low51.2Low76 Ų7663 Ų6351%0.51436%0.36SS..EExtended strand (participates in β ladder)trans-102.4106.3-177.3-61.60000111.1M28 L29M28-C35 HydrophobicContact CG-CB 4.31Å; M28-C35 HydrophobicContact SD-CB 4Å; L29-C35 CarbonylContact O-C 3.59Å; L29-C35 WeakPolarHBondContact O-CA 3.42Å
36F53.2Low51.3Low92 Ų9265.2 Ų65.240%0.40436%0.358SS..EExtended strand (participates in β ladder)trans-92133.4174.7-58-90.5000110M28 L29 V31 V34M28-F36 CarbonylContact C-O 3.59Å; M28-F36 WeakPolarHBondContact CA-O 3.33Å; L29-F36 HydrophobicContact CB-CB 4.38Å; L29-F36 PolarHBondContact N-O 2.99Å; L29-F36 PolarHBondContact O-N 3.19Å; V31-F36 HydrophobicContact CB-CE2 4.3Å; V34-F36 HydrophobicContact CB-CE2 3.85Å; V34-F36 HydrophobicContact CB-CZ 4.2Å; V34-F36 HydrophobicContact CG1-CD2 4.22Å; V34-F36 HydrophobicContact CG1-CE1 4.17Å; V34-F36 HydrophobicContact CG1-CE2 3.56Å; V34-F36 HydrophobicContact CG1-CZ 3.53Å
37K48.2Very low51.2Low183 Ų18363.7 Ų63.780%0.79635%0.351SS*.EExtended strand (participates in β ladder)trans-96.4126.8168-71.3-173.1177.3-174.30109.1
38A55.6Low51.2Low25 Ų2570.3 Ų70.321%0.20738%0.381CS..EExtended strand (participates in β ladder)trans-139.4168.8179.600000109.6C27 L43C27-A38 PolarHBondContact O-N 3.01Å; C27-A38 VanDerWaalsContact O-O 3.13Å; C27-A38 PolarHBondContact SG-O 3.4Å; A38-L43 HydrophobicContact CB-CD1 3.73Å; A38-L43 HydrophobicContact CB-CD2 4.44Å; A38-L43 HydrophobicContact CB-CG 4.1Å
39H60.2Low51.3Low56 Ų5673.2 Ų73.226%0.25939%0.389SS..  trans-104.7127.3178.5-57-93.2000109.2L24 N41 V42 L43L24-H39 PolarHBondContact O-CE1 2.76Å; L24-H39 PolarHBondContact O-ND1 3.2Å; L24-H39 VanDerWaalsContact O-ND1 3.12Å; H39-N41 VanDerWaalsContact C-N 3.25Å; H39-N41 PolarHBondContact O-N 3.14Å; H39-V42 HydrophobicContact CB-CB 4.3Å; H39-V42 HydrophobicContact CB-CG2 3.92Å; H39-V42 PolarHBondContact O-N 2.9Å; H39-L43 PolarHBondContact O-N 3.44Å; H39-L43 VanDerWaalsContact O-N 3.16Å
40K57.9Low51.4Low25 Ų2573.4 Ų73.411%0.10939%0.39CS..Hα-helixtrans-48.9-46.4-177.9-73.9177.6177.3153.40112D26 C27 V42 L43 A44 F54 Q60 D63D26-K40 HydrophobicContact CB-CD 3.95Å; D26-K40 HydrophobicContact CB-CG 4.15Å; D26-K40 WeakPolarHBondContact O-CE 3.47Å; D26-K40 PolarHBondContact O-NZ 2.85Å; D26-K40 IonicContact OD1-NZ 2.91Å; D26-K40 PolarHBondContact OD1-NZ 3.26Å; C27-K40 HydrophobicContact CB-CG 3.83Å; K40-V42 VanDerWaalsContact C-N 3.35Å; K40-V42 PolarHBondContact O-N 3.43Å; K40-L43 PolarHBondContact O-N 2.82Å; K40-A44 VanDerWaalsContact O-CB 3.26Å; K40-A44 WeakPolarHBondContact O-CB 3.49Å; K40-A44 PolarHBondContact O-N 3.22Å; K40-F54 HydrophobicContact CB-CD2 3.99Å; K40-F54 HydrophobicContact CB-CE2 4.11Å; K40-F54 HydrophobicContact CB-CG 4.46Å; K40-F54 HydrophobicContact CG-CD1 4.41Å; K40-F54 HydrophobicContact CG-CD2 4.26Å; K40-F54 HydrophobicContact CG-CE1 4.46Å; K40-F54 HydrophobicContact CG-CE2 4.3Å; K40-F54 HydrophobicContact CG-CG 4.34Å; K40-F54 HydrophobicContact CG-CZ 4.41Å; K40-F54 WeakPolarHBondContact O-CE2 3.5Å; K40-Q60 PolarHBondContact NZ-O 3.48Å; K40-D63 VanDerWaalsContact CE-OD2 3.24Å; K40-D63 WeakPolarHBondContact CE-OD2 3.44Å; K40-D63 IonicContact NZ-OD2 2.68Å; K40-D63 PolarHBondContact NZ-OD2 3.23Å
41N53.2Low52Low108 Ų10878 Ų7858%0.57841%0.405SS*.Hα-helixtrans-64.4-36-177.8-60.12.6000113H39 A45H39-N41 VanDerWaalsContact C-N 3.25Å; H39-N41 PolarHBondContact O-N 3.14Å; N41-A45 WeakPolarHBondContact O-CB 3.37Å; N41-A45 PolarHBondContact O-N 3.46Å
42V55.5Low52.3Low46 Ų4679.6 Ų79.628%0.27942%0.415SS..Hα-helixtrans-69.1-49.2178.2176.80000109.9H39 K40 A44 A45 F46H39-V42 HydrophobicContact CB-CB 4.3Å; H39-V42 HydrophobicContact CB-CG2 3.92Å; H39-V42 PolarHBondContact O-N 2.9Å; K40-V42 VanDerWaalsContact C-N 3.35Å; K40-V42 PolarHBondContact O-N 3.43Å; V42-A44 VanDerWaalsContact C-N 3.32Å; V42-A44 PolarHBondContact O-N 3.39Å; V42-A45 WeakPolarHBondContact O-CB 3.45Å; V42-A45 PolarHBondContact O-N 2.97Å; V42-F46 HydrophobicContact CG1-CD2 3.9Å; V42-F46 HydrophobicContact CG1-CE2 3.81Å; V42-F46 VanDerWaalsContact O-CD2 3.23Å; V42-F46 WeakPolarHBondContact O-CD2 3.49Å; V42-F46 PolarHBondContact O-N 2.76Å; V42-F46 VanDerWaalsContact O-N 3.16Å
43L57.4Low53.1Low21 Ų2173.4 Ų73.411%0.1139%0.39CS..Hα-helixtrans-60.7-40175.8-69.9173.5000112.3L29 A38 H39 K40 A45 F46 S47 F50 F54L29-L43 HydrophobicContact CD1-CD1 3.97Å; L29-L43 HydrophobicContact CD2-CD1 4.27Å; L29-L43 HydrophobicContact CG-CD1 4.43Å; A38-L43 HydrophobicContact CB-CD1 3.73Å; A38-L43 HydrophobicContact CB-CD2 4.44Å; A38-L43 HydrophobicContact CB-CG 4.1Å; H39-L43 PolarHBondContact O-N 3.44Å; H39-L43 VanDerWaalsContact O-N 3.16Å; K40-L43 PolarHBondContact O-N 2.82Å; L43-A45 VanDerWaalsContact C-N 3.35Å; L43-F46 PolarHBondContact O-N 3.13Å; L43-S47 PolarHBondContact O-N 2.93Å; L43-F50 HydrophobicContact CB-CB 4.07Å; L43-F50 HydrophobicContact CB-CD2 4.07Å; L43-F50 HydrophobicContact CB-CG 4.04Å; L43-F50 HydrophobicContact CD2-CD2 4.2Å; L43-F50 HydrophobicContact CD2-CE2 4.14Å; L43-F54 HydrophobicContact CB-CE2 3.8Å; L43-F54 HydrophobicContact CB-CZ 4.24Å; L43-F54 HydrophobicContact CD1-CE2 4.26Å; L43-F54 HydrophobicContact CD1-CZ 3.91Å
44A56.9Low54.2Low19 Ų1971.5 Ų71.516%0.15736%0.364CS..Hα-helixtrans-68.6-29.6176.300000113.4K40 V42 R51 F54K40-A44 VanDerWaalsContact O-CB 3.26Å; K40-A44 WeakPolarHBondContact O-CB 3.49Å; K40-A44 PolarHBondContact O-N 3.22Å; V42-A44 VanDerWaalsContact C-N 3.32Å; V42-A44 PolarHBondContact O-N 3.39Å; A44-R51 HydrophobicContact CB-CB 4.37Å; A44-R51 HydrophobicContact CB-CG 4.37Å; A44-R51 VanDerWaalsContact O-CZ 3.29Å; A44-R51 PolarHBondContact O-NE 3.23Å; A44-R51 PolarHBondContact O-NH2 2.87Å; A44-F54 HydrophobicContact CB-CD2 4.25Å
45A49.2Very low55Low63 Ų6375 Ų7552%0.52138%0.375SS..Hα-helixtrans-66.1-51.4171.900000110.4N41 V42 L43 R51N41-A45 WeakPolarHBondContact O-CB 3.37Å; N41-A45 PolarHBondContact O-N 3.46Å; V42-A45 WeakPolarHBondContact O-CB 3.45Å; V42-A45 PolarHBondContact O-N 2.97Å; L43-A45 VanDerWaalsContact C-N 3.35Å; A45-R51 PolarHBondContact O-NH2 3.34Å
46F48.1Very low55.3Low145 Ų14578.1 Ų78.164%0.63639%0.387SS*.Hα-helixtrans-76.8-24.3-173.3-71.6-65.7000115.9V42 L43 F81V42-F46 HydrophobicContact CG1-CD2 3.9Å; V42-F46 HydrophobicContact CG1-CE2 3.81Å; V42-F46 VanDerWaalsContact O-CD2 3.23Å; V42-F46 WeakPolarHBondContact O-CD2 3.49Å; V42-F46 PolarHBondContact O-N 2.76Å; V42-F46 VanDerWaalsContact O-N 3.16Å; L43-F46 PolarHBondContact O-N 3.13Å; F46-F81 HydrophobicContact CD2-CD2 4.48Å; F46-F81 HydrophobicContact CD2-CE2 4.24Å; F46-F81 HydrophobicContact CE2-CE2 4.22Å
47S50.8Low55.4Low17 Ų1775.4 Ų75.412%0.11938%0.379CS..  trans-140.6131.8176-170.70000114L43 Y49 F50 R51 Q77L43-S47 PolarHBondContact O-N 2.93Å; S47-Y49 PolarHBondContact O-N 3.12Å; S47-Y49 PolarHBondContact OG-N 3.33Å; S47-F50 PolarHBondContact O-N 3.43Å; S47-R51 PolarHBondContact O-N 3.47Å; S47-Q77 PolarHBondContact OG-OE1 2.88Å
48Q50Low55.1Low152 Ų15272.2 Ų72.271%0.7138%0.38SS*.Hα-helixtrans-63.3-25.1175.1-169.5169.6-200112.5R51 T52Q48-R51 WeakPolarHBondContact O-CB 3.44Å; Q48-R51 PolarHBondContact O-N 2.89Å; Q48-T52 PolarHBondContact O-N 3.47Å; Q48-T52 VanDerWaalsContact O-N 3.1Å; Q48-T52 PolarHBondContact O-OG1 2.8Å
49Y55.3Low54.9Low118 Ų11874.3 Ų74.346%0.46340%0.404SS..Hα-helixtrans-64.6-49.1172.3174.1-101.6000111.9S47 R51 T52 L53S47-Y49 PolarHBondContact O-N 3.12Å; S47-Y49 PolarHBondContact OG-N 3.33Å; Y49-R51 VanDerWaalsContact C-N 3.28Å; Y49-R51 PolarHBondContact O-N 3.38Å; Y49-T52 PolarHBondContact O-N 3.24Å; Y49-T52 PolarHBondContact O-OG1 2.9Å; Y49-L53 HydrophobicContact CE1-CD1 3.79Å; Y49-L53 VanDerWaalsContact O-CB 3.24Å; Y49-L53 WeakPolarHBondContact O-CB 3.35Å; Y49-L53 PolarHBondContact O-N 3.23Å
50F56.2Low54.2Low18 Ų1878.2 Ų78.28%0.07942%0.422CS..Hα-helixtrans-66.8-32.9175.5-72.4-56.4000111.8L43 S47 L53 F54 L67L43-F50 HydrophobicContact CB-CB 4.07Å; L43-F50 HydrophobicContact CB-CD2 4.07Å; L43-F50 HydrophobicContact CB-CG 4.04Å; L43-F50 HydrophobicContact CD2-CD2 4.2Å; L43-F50 HydrophobicContact CD2-CE2 4.14Å; S47-F50 PolarHBondContact O-N 3.43Å; F50-L53 PolarHBondContact O-N 3.13Å; F50-F54 HydrophobicContact CB-CD2 4.4Å; F50-F54 HydrophobicContact CB-CE2 3.82Å; F50-F54 HydrophobicContact CB-CZ 4.21Å; F50-F54 HydrophobicContact CD1-CE2 4.44Å; F50-F54 AromaticContact CD1-CZ 3.97Å; F50-F54 HydrophobicContact CD1-CZ 3.97Å; F50-F54 HydrophobicContact CG-CE2 4.43Å; F50-F54 HydrophobicContact CG-CZ 4.39Å; F50-F54 WeakPolarHBondContact O-CD2 3.33Å; F50-F54 VanDerWaalsContact O-CG 3.31Å; F50-F54 WeakPolarHBondContact O-CG 3.5Å; F50-F54 PolarHBondContact O-N 3.07Å; F50-L67 HydrophobicContact CE1-CD2 4.08Å; F50-L67 HydrophobicContact CZ-CD2 4.04Å
51R60.4Low53.6Low116 Ų11684.6 Ų84.644%0.43845%0.45SS..Hα-helixtrans-58.4-53175.1-157.2176-59.8166.34.8111.7A44 A45 S47 Q48 Y49 Q55A44-R51 HydrophobicContact CB-CB 4.37Å; A44-R51 HydrophobicContact CB-CG 4.37Å; A44-R51 VanDerWaalsContact O-CZ 3.29Å; A44-R51 PolarHBondContact O-NE 3.23Å; A44-R51 PolarHBondContact O-NH2 2.87Å; A45-R51 PolarHBondContact O-NH2 3.34Å; S47-R51 PolarHBondContact O-N 3.47Å; Q48-R51 WeakPolarHBondContact O-CB 3.44Å; Q48-R51 PolarHBondContact O-N 2.89Å; Y49-R51 VanDerWaalsContact C-N 3.28Å; Y49-R51 PolarHBondContact O-N 3.38Å; R51-Q55 WeakPolarHBondContact O-CB 3.15Å; R51-Q55 PolarHBondContact O-N 2.97Å
52T57Low53.4Low71 Ų7186.3 Ų86.344%0.43646%0.459SS..Hα-helixtrans-69.8-31.6176.347.70000113.3Q48 Y49 N56Q48-T52 PolarHBondContact O-N 3.47Å; Q48-T52 VanDerWaalsContact O-N 3.1Å; Q48-T52 PolarHBondContact O-OG1 2.8Å; Y49-T52 PolarHBondContact O-N 3.24Å; Y49-T52 PolarHBondContact O-OG1 2.9Å; T52-N56 PolarHBondContact O-N 3.29Å; T52-N56 PolarHBondContact O-ND2 3.01Å
53L60.4Low53.4Low48 Ų4885.6 Ų85.625%0.25145%0.454SS..Hα-helixtrans-64.6-41.9177.1-166.4154.1000111.7Y49 F50 F65Y49-L53 HydrophobicContact CE1-CD1 3.79Å; Y49-L53 VanDerWaalsContact O-CB 3.24Å; Y49-L53 WeakPolarHBondContact O-CB 3.35Å; Y49-L53 PolarHBondContact O-N 3.23Å; F50-L53 PolarHBondContact O-N 3.13Å; L53-F65 HydrophobicContact CD2-CD1 3.55Å; L53-F65 HydrophobicContact CD2-CE1 3.46Å; L53-F65 VanDerWaalsContact CD2-CE1 3.46Å; L53-F65 HydrophobicContact CD2-CG 4.27Å; L53-F65 HydrophobicContact CD2-CZ 4.1Å
54F64.4Low53.2Low22 Ų2289.1 Ų89.110%0.09647%0.472CS..Hα-helixtrans-81.9-28.7176.5-53.9-36.7000113.8K40 L43 A44 F50 N56 S57 F65K40-F54 HydrophobicContact CB-CD2 3.99Å; K40-F54 HydrophobicContact CB-CE2 4.11Å; K40-F54 HydrophobicContact CB-CG 4.46Å; K40-F54 HydrophobicContact CG-CD1 4.41Å; K40-F54 HydrophobicContact CG-CD2 4.26Å; K40-F54 HydrophobicContact CG-CE1 4.46Å; K40-F54 HydrophobicContact CG-CE2 4.3Å; K40-F54 HydrophobicContact CG-CG 4.34Å; K40-F54 HydrophobicContact CG-CZ 4.41Å; K40-F54 WeakPolarHBondContact O-CE2 3.5Å; L43-F54 HydrophobicContact CB-CE2 3.8Å; L43-F54 HydrophobicContact CB-CZ 4.24Å; L43-F54 HydrophobicContact CD1-CE2 4.26Å; L43-F54 HydrophobicContact CD1-CZ 3.91Å; A44-F54 HydrophobicContact CB-CD2 4.25Å; F50-F54 HydrophobicContact CB-CD2 4.4Å; F50-F54 HydrophobicContact CB-CE2 3.82Å; F50-F54 HydrophobicContact CB-CZ 4.21Å; F50-F54 HydrophobicContact CD1-CE2 4.44Å; F50-F54 AromaticContact CD1-CZ 3.97Å; F50-F54 HydrophobicContact CD1-CZ 3.97Å; F50-F54 HydrophobicContact CG-CE2 4.43Å; F50-F54 HydrophobicContact CG-CZ 4.39Å; F50-F54 WeakPolarHBondContact O-CD2 3.33Å; F50-F54 VanDerWaalsContact O-CG 3.31Å; F50-F54 WeakPolarHBondContact O-CG 3.5Å; F50-F54 PolarHBondContact O-N 3.07Å; F54-N56 PolarHBondContact O-N 3.25Å; F54-S57 WeakPolarHBondContact CA-OG 3.36Å; F54-S57 PolarHBondContact O-N 2.99Å; F54-S57 PolarHBondContact O-OG 2.91Å; F54-F65 HydrophobicContact CD1-CE1 4.3Å; F54-F65 AromaticContact CD1-CE2 3.75Å; F54-F65 HydrophobicContact CD1-CE2 3.75Å; F54-F65 AromaticContact CD1-CZ 3.59Å; F54-F65 HydrophobicContact CD1-CZ 3.59Å; F54-F65 AromaticContact CE1-CD2 3.82Å; F54-F65 HydrophobicContact CE1-CD2 3.82Å; F54-F65 HydrophobicContact CE1-CE1 4.32Å; F54-F65 AromaticContact CE1-CE2 3.38Å; F54-F65 HydrophobicContact CE1-CE2 3.38Å; F54-F65 HydrophobicContact CE1-CG 4.44Å; F54-F65 AromaticContact CE1-CZ 3.67Å; F54-F65 HydrophobicContact CE1-CZ 3.67Å; F54-F65 HydrophobicContact CZ-CE2 4.47Å
55Q59.6Low53Low154 Ų15489.9 Ų89.972%0.7247%0.472SS*.Hα-helixtrans-67.3-19.2178.6-166.6163.514.400112.9R51R51-Q55 WeakPolarHBondContact O-CB 3.15Å; R51-Q55 PolarHBondContact O-N 2.97Å
56N52.2Low52.9Low142 Ų14293.9 Ų93.976%0.75948%0.479SS*.THydrogen-bonded Turntrans-92.3-6.9170.4-69.9-64.8000114.1T52 F54T52-N56 PolarHBondContact O-N 3.29Å; T52-N56 PolarHBondContact O-ND2 3.01Å; F54-N56 PolarHBondContact O-N 3.25Å
57S54.4Low53Low35 Ų3588.7 Ų88.725%0.24546%0.458CS..SBendtrans-96.2110.4178.261.90000111.5F54 G59F54-S57 WeakPolarHBondContact CA-OG 3.36Å; F54-S57 PolarHBondContact O-N 2.99Å; F54-S57 PolarHBondContact O-OG 2.91Å; S57-G59 PolarHBondContact O-N 3.17Å
58S42.2Very low52.5Low116 Ų11692.7 Ų92.781%0.81148%0.478SS*.  trans-78.475.4-174.147.30000114.1Q60S58-Q60 PolarHBondContact O-N 3.25Å
59G51.4Low52.3Low69 Ų6988.1 Ų88.171%0.71146%0.458SS*.  trans70.825.6148.900000117.9S57S57-G59 PolarHBondContact O-N 3.17Å
60Q45.7Very low51.7Low138 Ų13890.5 Ų90.565%0.64547%0.471SS*.  trans-89.6132.1173-61-161.416.900111.8K40 S58 N62 D63K40-Q60 PolarHBondContact NZ-O 3.48Å; S58-Q60 PolarHBondContact O-N 3.25Å; Q60-N62 PolarHBondContact O-N 2.93Å; Q60-N62 VanDerWaalsContact O-N 3.07Å; Q60-D63 VanDerWaalsContact O-OD2 3.08Å
61K45.9Very low51.2Low159 Ų15994.6 Ų94.669%0.69149%0.493SS*.THydrogen-bonded Turntrans-76.714.7-171.2-74.6-162.2168.8-163.90115.8
62N48.2Very low50.4Low144 Ų14494.4 Ų94.477%0.7751%0.505SS*.THydrogen-bonded Turntrans-153.849.3-176.9-81.8-74.7000111.6Q60 I64Q60-N62 PolarHBondContact O-N 2.93Å; Q60-N62 VanDerWaalsContact O-N 3.07Å; N62-I64 PolarHBondContact O-N 3.06Å
63D55.1Low49.7Very low30 Ų3093.4 Ų93.416%0.1651%0.508CS..EExtended strand (participates in β ladder)trans-74.6121.9-179.8-62.3-42.4000111.1C27 M28 K40 Q60 F65C27-D63 WeakPolarHBondContact CA-O 3.48Å; M28-D63 PolarHBondContact N-O 2.86Å; M28-D63 VanDerWaalsContact N-O 3.12Å; K40-D63 VanDerWaalsContact CE-OD2 3.24Å; K40-D63 WeakPolarHBondContact CE-OD2 3.44Å; K40-D63 IonicContact NZ-OD2 2.68Å; K40-D63 PolarHBondContact NZ-OD2 3.23Å; Q60-D63 VanDerWaalsContact O-OD2 3.08Å; D63-F65 HydrophobicContact CB-CD2 4.15Å; D63-F65 HydrophobicContact CB-CE1 4.25Å; D63-F65 HydrophobicContact CB-CE2 3.33Å; D63-F65 HydrophobicContact CB-CZ 3.4Å; D63-F65 VanDerWaalsContact CB-CZ 3.4Å
64I53.5Low49.1Very low95 Ų9592.4 Ų92.449%0.48751%0.51SS..EExtended strand (participates in β ladder)trans-100.3112.9174.3-57.3179.3000107.8M28 V30 N62M28-I64 HydrophobicContact CB-CG1 4.4Å; M28-I64 CarbonylContact O-C 3.56Å; M28-I64 WeakPolarHBondContact O-CA 3.44Å; V30-I64 HydrophobicContact CG2-CG2 3.84Å; N62-I64 PolarHBondContact O-N 3.06Å
65F53.6Low48.5Very low36 Ų3693.9 Ų93.916%0.15852%0.518CS..EExtended strand (participates in β ladder)trans-102.9114.9-178.6-61.3-77.5000110.4C27 M28 L29 V30 L53 F54 D63 L67C27-F65 HydrophobicContact CB-CD2 4.05Å; C27-F65 HydrophobicContact CB-CE2 3.95Å; M28-F65 PolarHBondContact O-N 3.39Å; L29-F65 WeakPolarHBondContact CA-O 3.5Å; L29-F65 HydrophobicContact CD2-CB 3.98Å; L29-F65 HydrophobicContact CD2-CD2 4.31Å; V30-F65 PolarHBondContact N-O 3.24Å; L53-F65 HydrophobicContact CD2-CD1 3.55Å; L53-F65 HydrophobicContact CD2-CE1 3.46Å; L53-F65 VanDerWaalsContact CD2-CE1 3.46Å; L53-F65 HydrophobicContact CD2-CG 4.27Å; L53-F65 HydrophobicContact CD2-CZ 4.1Å; F54-F65 HydrophobicContact CD1-CE1 4.3Å; F54-F65 AromaticContact CD1-CE2 3.75Å; F54-F65 HydrophobicContact CD1-CE2 3.75Å; F54-F65 AromaticContact CD1-CZ 3.59Å; F54-F65 HydrophobicContact CD1-CZ 3.59Å; F54-F65 AromaticContact CE1-CD2 3.82Å; F54-F65 HydrophobicContact CE1-CD2 3.82Å; F54-F65 HydrophobicContact CE1-CE1 4.32Å; F54-F65 AromaticContact CE1-CE2 3.38Å; F54-F65 HydrophobicContact CE1-CE2 3.38Å; F54-F65 HydrophobicContact CE1-CG 4.44Å; F54-F65 AromaticContact CE1-CZ 3.67Å; F54-F65 HydrophobicContact CE1-CZ 3.67Å; F54-F65 HydrophobicContact CZ-CE2 4.47Å; D63-F65 HydrophobicContact CB-CD2 4.15Å; D63-F65 HydrophobicContact CB-CE1 4.25Å; D63-F65 HydrophobicContact CB-CE2 3.33Å; D63-F65 HydrophobicContact CB-CZ 3.4Å; D63-F65 VanDerWaalsContact CB-CZ 3.4Å; F65-L67 HydrophobicContact CB-CD1 4.49Å
66H47.1Very low47.9Very low146 Ų14688.4 Ų88.468%0.67650%0.503SS*.EExtended strand (participates in β ladder)trans-87.1113.1169.5-65.6-86.7000108.7
67L48.6Very low47.8Very low36 Ų3687 Ų8719%0.18849%0.492CS..  trans-88121.5173.5-76.489.6000109.6L29 V30 V31 F50 F65 I78L29-L67 HydrophobicContact CB-CD1 4.25Å; L29-L67 HydrophobicContact CD2-CD1 4.05Å; V30-L67 PolarHBondContact O-N 2.67Å; V31-L67 HydrophobicContact CG2-CB 4.5Å; F50-L67 HydrophobicContact CE1-CD2 4.08Å; F50-L67 HydrophobicContact CZ-CD2 4.04Å; F65-L67 HydrophobicContact CB-CD1 4.49Å; L67-I78 HydrophobicContact CD2-CD1 4.49Å
68D41.2Very low47.7Very low101 Ų10187.9 Ų87.954%0.5449%0.493SS..  trans-74.9124.2171.8-165.5-12.6000109.7K70D68-K70 PolarHBondContact O-N 3.03Å; D68-K70 VanDerWaalsContact O-N 3.1Å; D68-K70 WeakPolarHBondContact OD1-CD 3.47Å; D68-K70 WeakPolarHBondContact OD1-CE 3.38Å; D68-K70 WeakPolarHBondContact OD1-CG 3.45Å; D68-K70 IonicContact OD1-NZ 3.93Å; D68-K70 WeakPolarHBondContact OD2-CD 3.46Å; D68-K70 VanDerWaalsContact OD2-CE 3.32Å; D68-K70 WeakPolarHBondContact OD2-CE 3.44Å; D68-K70 IonicContact OD2-NZ 3.58Å; D68-K70 PolarHBondContact OD2-NZ 2.71Å
69I46.4Very low48.1Very low56 Ų5685.7 Ų85.729%0.28747%0.473SS..THydrogen-bonded Turntrans-73.1-4.6-166.8-72.4169.1000112.6V31 K32 N71 I75V31-I69 HydrophobicContact CG1-CD1 3.72Å; V31-I69 HydrophobicContact CG1-CG1 3.95Å; K32-I69 HydrophobicContact CB-CD1 3.86Å; K32-I69 HydrophobicContact CD-CD1 3.66Å; K32-I69 HydrophobicContact CG-CD1 3.49Å; K32-I69 VanDerWaalsContact CG-CD1 3.49Å; I69-N71 PolarHBondContact O-N 3.24Å; I69-N71 VanDerWaalsContact O-N 3.17Å; I69-I75 HydrophobicContact CG2-CD1 3.87Å; I69-I75 WeakPolarHBondContact O-CD1 3.41Å
70K43.1Very low47.7Very low169 Ų16987.2 Ų87.274%0.73546%0.464SS*.THydrogen-bonded Turntrans-63.8-16.8179.3-64.5165-164.8150.80114.4D68 V72D68-K70 PolarHBondContact O-N 3.03Å; D68-K70 VanDerWaalsContact O-N 3.1Å; D68-K70 WeakPolarHBondContact OD1-CD 3.47Å; D68-K70 WeakPolarHBondContact OD1-CE 3.38Å; D68-K70 WeakPolarHBondContact OD1-CG 3.45Å; D68-K70 IonicContact OD1-NZ 3.93Å; D68-K70 WeakPolarHBondContact OD2-CD 3.46Å; D68-K70 VanDerWaalsContact OD2-CE 3.32Å; D68-K70 WeakPolarHBondContact OD2-CE 3.44Å; D68-K70 IonicContact OD2-NZ 3.58Å; D68-K70 PolarHBondContact OD2-NZ 2.71Å; K70-V72 PolarHBondContact O-N 2.69Å
71N45.5Very low48Very low103 Ų10384.5 Ų84.555%0.55145%0.451SS*.  trans-9986-177-159.5-5.3000112I69 G73 G74I69-N71 PolarHBondContact O-N 3.24Å; I69-N71 VanDerWaalsContact O-N 3.17Å; N71-G73 VanDerWaalsContact C-N 3.26Å; N71-G73 PolarHBondContact O-N 2.99Å; N71-G73 VanDerWaalsContact O-N 3.16Å; N71-G74 PolarHBondContact O-N 3.11Å
72V42.1Very low48.2Very low112 Ų11278.9 Ų78.968%0.67943%0.427SS*.Hα-helixtrans-52-39.2-171.7-177.90000113.3K70 G74 I75 G76K70-V72 PolarHBondContact O-N 2.69Å; V72-G74 VanDerWaalsContact C-N 3.28Å; V72-G74 PolarHBondContact O-N 3.44Å; V72-I75 PolarHBondContact O-N 3.29Å; V72-I75 VanDerWaalsContact O-N 3.12Å; V72-G76 PolarHBondContact O-N 3.43Å
73G43.8Very low48Very low50 Ų5080.5 Ų80.552%0.51542%0.424SS..Hα-helixtrans-62.7-29.8-179.900000114.4N71 Q77N71-G73 VanDerWaalsContact C-N 3.26Å; N71-G73 PolarHBondContact O-N 2.99Å; N71-G73 VanDerWaalsContact O-N 3.16Å; G73-Q77 PolarHBondContact O-N 3.19Å
74G46.7Very low47.5Very low28 Ų2883.3 Ų83.329%0.28944%0.442SS..Hα-helixtrans-71.6-29.8175.900000113.1N71 V72 I78N71-G74 PolarHBondContact O-N 3.11Å; V72-G74 VanDerWaalsContact C-N 3.28Å; V72-G74 PolarHBondContact O-N 3.44Å; G74-I78 WeakPolarHBondContact O-CD1 3.3Å; G74-I78 WeakPolarHBondContact O-CG1 3.4Å; G74-I78 PolarHBondContact O-N 2.93Å
75I51.9Low47Very low52 Ų5281.2 Ų81.227%0.26744%0.436SS..Hα-helixtrans-73.5-41.1179.2-58.7172.1000110.1I69 V72 Q77 I78 L79I69-I75 HydrophobicContact CG2-CD1 3.87Å; I69-I75 WeakPolarHBondContact O-CD1 3.41Å; V72-I75 PolarHBondContact O-N 3.29Å; V72-I75 VanDerWaalsContact O-N 3.12Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.14Å; I75-I78 PolarHBondContact O-N 3.16Å; I75-I78 VanDerWaalsContact O-N 3.16Å; I75-L79 HydrophobicContact CG2-CD1 4.03Å; I75-L79 HydrophobicContact CG2-CG 4.42Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 3.41Å
76G47.3Very low46.4Very low39 Ų3987.7 Ų87.740%0.40247%0.466SS..Hα-helixtrans-56.2-45.7174.800000112.7V72 I78 L79 D80V72-G76 PolarHBondContact O-N 3.43Å; G76-I78 VanDerWaalsContact C-N 3.33Å; G76-I78 PolarHBondContact O-N 3.39Å; G76-L79 PolarHBondContact O-N 3.06Å; G76-D80 WeakPolarHBondContact O-CB 3.46Å; G76-D80 PolarHBondContact O-N 3.17Å
77Q50.6Low46.4Very low113 Ų11385.2 Ų85.253%0.52846%0.457SS..Hα-helixtrans-65.6-31.9177.8-67.5-179.5200113.2S47 G73 I75 F81S47-Q77 PolarHBondContact OG-OE1 2.88Å; G73-Q77 PolarHBondContact O-N 3.19Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.14Å; Q77-F81 WeakPolarHBondContact O-CB 3.37Å; Q77-F81 PolarHBondContact O-N 3.38Å; Q77-F81 VanDerWaalsContact O-N 3.1Å
78I51.9Low45.9Very low53 Ų5391.7 Ų91.727%0.27249%0.492SS..Hα-helixtrans-72.3-38.7175.6-68.8165.6000111L67 G74 I75 G76 M82L67-I78 HydrophobicContact CD2-CD1 4.49Å; G74-I78 WeakPolarHBondContact O-CD1 3.3Å; G74-I78 WeakPolarHBondContact O-CG1 3.4Å; G74-I78 PolarHBondContact O-N 2.93Å; I75-I78 PolarHBondContact O-N 3.16Å; I75-I78 VanDerWaalsContact O-N 3.16Å; G76-I78 VanDerWaalsContact C-N 3.33Å; G76-I78 PolarHBondContact O-N 3.39Å; I78-M82 HydrophobicContact CG2-SD 4.48Å; I78-M82 WeakPolarHBondContact O-CG 3.44Å; I78-M82 PolarHBondContact O-N 2.83Å
79L49.8Very low46.1Very low71 Ų7190.9 Ų90.937%0.37249%0.487SS..Hα-helixtrans-69.2-40.8176.8-68.4170.8000112I75 G76 M82 Y83 M97I75-L79 HydrophobicContact CG2-CD1 4.03Å; I75-L79 HydrophobicContact CG2-CG 4.42Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 3.41Å; G76-L79 PolarHBondContact O-N 3.06Å; L79-M82 PolarHBondContact O-N 3.23Å; L79-M82 VanDerWaalsContact O-N 3.16Å; L79-Y83 PolarHBondContact O-N 3.16Å; L79-M97 HydrophobicContact CD2-CE 3.59Å; L79-M97 HydrophobicContact CD2-SD 4.12Å
80D44.4Very low46.1Very low100 Ų10091.1 Ų91.154%0.53549%0.494SS..Hα-helixtrans-63.2-41.3175.1-171.445.7000111.9G76 M82 Y83 T84G76-D80 WeakPolarHBondContact O-CB 3.46Å; G76-D80 PolarHBondContact O-N 3.17Å; D80-M82 VanDerWaalsContact C-N 3.34Å; D80-M82 PolarHBondContact O-N 2.79Å; D80-Y83 PolarHBondContact O-N 3.12Å; D80-T84 WeakPolarHBondContact O-CB 3.48Å; D80-T84 WeakPolarHBondContact O-CG2 3.49Å; D80-T84 PolarHBondContact O-N 3.02Å; D80-T84 PolarHBondContact O-OG1 3.38Å
81F51.1Low46.2Very low82 Ų8290.7 Ų90.736%0.3650%0.495SS..Hα-helixtrans-60.7-39.1170.4174.6-99.2000112.8F46 Q77 T84 S85F46-F81 HydrophobicContact CD2-CD2 4.48Å; F46-F81 HydrophobicContact CD2-CE2 4.24Å; F46-F81 HydrophobicContact CE2-CE2 4.22Å; Q77-F81 WeakPolarHBondContact O-CB 3.37Å; Q77-F81 PolarHBondContact O-N 3.38Å; Q77-F81 VanDerWaalsContact O-N 3.1Å; F81-T84 PolarHBondContact O-OG1 3.36Å; F81-S85 VanDerWaalsContact O-CB 3.23Å; F81-S85 WeakPolarHBondContact O-CB 3.36Å; F81-S85 PolarHBondContact O-N 3.43Å; F81-S85 PolarHBondContact O-OG 2.92Å
82M50.2Low46.1Very low40 Ų4091.6 Ų91.620%0.19750%0.5CS..Hα-helixtrans-69.9-36.9176.4-74.5178.162.300112.6I78 L79 D80 L87 M97I78-M82 HydrophobicContact CG2-SD 4.48Å; I78-M82 WeakPolarHBondContact O-CG 3.44Å; I78-M82 PolarHBondContact O-N 2.83Å; L79-M82 PolarHBondContact O-N 3.23Å; L79-M82 VanDerWaalsContact O-N 3.16Å; D80-M82 VanDerWaalsContact C-N 3.34Å; D80-M82 PolarHBondContact O-N 2.79Å; M82-L87 HydrophobicContact CG-CD1 4.42Å; M82-M97 HydrophobicContact CE-CE 4.29Å
83Y44.8Very low46.4Very low179 Ų17990.2 Ų90.270%0.70249%0.488SS*.Hα-helixtrans-67.4-50.2177.4-178.1-105.2000111.7L79 D80 S85 H86L79-Y83 PolarHBondContact O-N 3.16Å; D80-Y83 PolarHBondContact O-N 3.12Å; Y83-S85 PolarHBondContact O-N 3.37Å; Y83-H86 PolarHBondContact O-N 3.3Å
84T43.3Very low46.8Very low89 Ų8989.5 Ų89.555%0.54647%0.474SS..Hα-helixtrans-67-20.2178.950.40000114.2D80 F81D80-T84 WeakPolarHBondContact O-CB 3.48Å; D80-T84 WeakPolarHBondContact O-CG2 3.49Å; D80-T84 PolarHBondContact O-N 3.02Å; D80-T84 PolarHBondContact O-OG1 3.38Å; F81-T84 PolarHBondContact O-OG1 3.36Å
85S43.7Very low46.8Very low50 Ų5092.5 Ų92.535%0.3548%0.48SS..THydrogen-bonded Turntrans-86-0.1-179.3-640000115.3F81 Y83 L87F81-S85 VanDerWaalsContact O-CB 3.23Å; F81-S85 WeakPolarHBondContact O-CB 3.36Å; F81-S85 PolarHBondContact O-N 3.43Å; F81-S85 PolarHBondContact O-OG 2.92Å; Y83-S85 PolarHBondContact O-N 3.37Å; S85-L87 VanDerWaalsContact C-N 3.3Å; S85-L87 PolarHBondContact O-N 3.1Å
86H41.7Very low46.6Very low173 Ų17392.2 Ų92.280%0.80149%0.486SS*.THydrogen-bonded Turntrans45.248.8-179-76.7-79.9000114.2Y83Y83-H86 PolarHBondContact O-N 3.3Å
87L45.3Very low46.5Very low94 Ų9493.8 Ų93.849%0.49248%0.484SS..  trans-77.1129.8176.8-64.3170.8000110.5M82 S85 L89M82-L87 HydrophobicContact CG-CD1 4.42Å; S85-L87 VanDerWaalsContact C-N 3.3Å; S85-L87 PolarHBondContact O-N 3.1Å; L87-L89 WeakPolarHBondContact O-CG 3.44Å; L87-L89 PolarHBondContact O-N 3.14Å
88D38.1Very low46.5Very low172 Ų17288.8 Ų88.892%0.9246%0.461SS*.  trans-59.1105.4177.2-80.5-44.3000111.8
89L45.9Very low46.3Very low83 Ų8390 Ų9044%0.43547%0.467SS..  trans-100.898.9-177.6-78.9155.4000110.1L87 N93 V94L87-L89 WeakPolarHBondContact O-CG 3.44Å; L87-L89 PolarHBondContact O-N 3.14Å; L89-N93 HydrophobicContact CD2-CB 4.29Å; L89-V94 HydrophobicContact CB-CG2 3.92Å
90S47.8Very low46.1Very low62 Ų6291.2 Ų91.243%0.43447%0.473SS..  trans-60.3145.4170.954.60000111.6D92 N93 V94S90-D92 VanDerWaalsContact C-N 3.26Å; S90-D92 PolarHBondContact O-N 2.88Å; S90-D92 VanDerWaalsContact O-N 3.1Å; S90-N93 WeakPolarHBondContact O-CA 3.18Å; S90-N93 WeakPolarHBondContact O-CB 3.32Å; S90-N93 PolarHBondContact O-N 3.43Å; S90-N93 PolarHBondContact OG-ND2 3.07Å; S90-N93 VanDerWaalsContact OG-ND2 3.12Å; S90-V94 PolarHBondContact O-N 3.49Å
91Q44Very low46Very low160 Ų16087 Ų8775%0.74845%0.453SS*.Hα-helixtrans-49.9-40.5-173.1-165.4167.6-3.300114N93 V94 Q95Q91-N93 VanDerWaalsContact C-N 3.28Å; Q91-N93 PolarHBondContact O-N 2.83Å; Q91-V94 PolarHBondContact O-N 3.28Å; Q91-V94 VanDerWaalsContact O-N 3.13Å; Q91-Q95 PolarHBondContact O-N 2.91Å
92D43.7Very low45.7Very low122 Ų12288.7 Ų88.765%0.65246%0.462SS*.Hα-helixtrans-54.5-39.9174.1-52.6-25.1000113.3S90 A96S90-D92 VanDerWaalsContact C-N 3.26Å; S90-D92 PolarHBondContact O-N 2.88Å; S90-D92 VanDerWaalsContact O-N 3.1Å; D92-A96 PolarHBondContact O-N 3.45Å; D92-A96 VanDerWaalsContact O-N 3.14Å
93N49.1Very low45.3Very low83 Ų8392.2 Ų92.244%0.44449%0.489SS..Hα-helixtrans-76.4-33.7-179.9-64.5-22.7000111.3L89 S90 Q91 A96 M97L89-N93 HydrophobicContact CD2-CB 4.29Å; S90-N93 WeakPolarHBondContact O-CA 3.18Å; S90-N93 WeakPolarHBondContact O-CB 3.32Å; S90-N93 PolarHBondContact O-N 3.43Å; S90-N93 PolarHBondContact OG-ND2 3.07Å; S90-N93 VanDerWaalsContact OG-ND2 3.12Å; Q91-N93 VanDerWaalsContact C-N 3.28Å; Q91-N93 PolarHBondContact O-N 2.83Å; N93-A96 PolarHBondContact O-N 3.38Å; N93-M97 WeakPolarHBondContact O-CB 3.41Å; N93-M97 WeakPolarHBondContact O-CG 3.38Å; N93-M97 PolarHBondContact O-N 3.14Å
94V51.6Low45.1Very low34 Ų3488.5 Ų88.521%0.20648%0.481CS..Hα-helixtrans-66.1-41.5175.2-177.90000110L89 S90 Q91 M97 L98L89-V94 HydrophobicContact CB-CG2 3.92Å; S90-V94 PolarHBondContact O-N 3.49Å; Q91-V94 PolarHBondContact O-N 3.28Å; Q91-V94 VanDerWaalsContact O-N 3.13Å; V94-M97 PolarHBondContact O-N 2.86Å; V94-L98 WeakPolarHBondContact O-CB 3.34Å; V94-L98 PolarHBondContact O-N 3.19Å
95Q46.8Very low45.2Very low91 Ų9192.5 Ų92.543%0.42549%0.493SS..Hα-helixtrans-64.7-44.7175.3-169.65950.500111.9Q91 M97 L98 D99Q91-Q95 PolarHBondContact O-N 2.91Å; Q95-M97 VanDerWaalsContact C-N 3.26Å; Q95-M97 PolarHBondContact O-N 2.79Å; Q95-L98 WeakPolarHBondContact O-CA 3.46Å; Q95-L98 VanDerWaalsContact O-CB 3.25Å; Q95-L98 WeakPolarHBondContact O-CB 3.41Å; Q95-L98 PolarHBondContact O-N 2.94Å; Q95-L98 VanDerWaalsContact O-N 3.1Å; Q95-D99 PolarHBondContact NE2-OD1 3.44Å; Q95-D99 VanDerWaalsContact O-CG 3.26Å; Q95-D99 PolarHBondContact O-N 2.69Å
96A48.5Very low45.3Very low47 Ų4793.4 Ų93.439%0.38850%0.496SS..Hα-helixtrans-61.6-32.9175.600000113.1D92 N93 I100D92-A96 PolarHBondContact O-N 3.45Å; D92-A96 VanDerWaalsContact O-N 3.14Å; N93-A96 PolarHBondContact O-N 3.38Å; A96-I100 WeakPolarHBondContact O-CD1 3.5Å; A96-I100 VanDerWaalsContact O-CG1 3.23Å; A96-I100 WeakPolarHBondContact O-CG1 3.46Å; A96-I100 PolarHBondContact O-N 2.89Å
97M45.1Very low45.3Very low72 Ų7292.4 Ų92.436%0.35549%0.492SS..Hα-helixtrans-71.8-38173.5-68.6-96.7-76.500112.1L79 M82 N93 V94 Q95 I100 A101L79-M97 HydrophobicContact CD2-CE 3.59Å; L79-M97 HydrophobicContact CD2-SD 4.12Å; M82-M97 HydrophobicContact CE-CE 4.29Å; N93-M97 WeakPolarHBondContact O-CB 3.41Å; N93-M97 WeakPolarHBondContact O-CG 3.38Å; N93-M97 PolarHBondContact O-N 3.14Å; V94-M97 PolarHBondContact O-N 2.86Å; Q95-M97 VanDerWaalsContact C-N 3.26Å; Q95-M97 PolarHBondContact O-N 2.79Å; M97-I100 PolarHBondContact O-N 2.82Å; M97-A101 WeakPolarHBondContact O-CB 3.47Å; M97-A101 PolarHBondContact O-N 2.64Å
98L49.4Very low45.6Very low8 Ų893.9 Ų93.94%0.04250%0.5CS..Hα-helixtrans-58.8-51.8172.5-106.3163.6000111.4V94 Q95 I100 A101 Q102 L110 C113 L117V94-L98 WeakPolarHBondContact O-CB 3.34Å; V94-L98 PolarHBondContact O-N 3.19Å; Q95-L98 WeakPolarHBondContact O-CA 3.46Å; Q95-L98 VanDerWaalsContact O-CB 3.25Å; Q95-L98 WeakPolarHBondContact O-CB 3.41Å; Q95-L98 PolarHBondContact O-N 2.94Å; Q95-L98 VanDerWaalsContact O-N 3.1Å; L98-I100 VanDerWaalsContact C-N 3.29Å; L98-I100 PolarHBondContact O-N 2.98Å; L98-A101 PolarHBondContact O-N 2.73Å; L98-A101 VanDerWaalsContact O-N 3.11Å; L98-Q102 WeakPolarHBondContact O-CB 3.16Å; L98-Q102 PolarHBondContact O-N 3.05Å; L98-L110 HydrophobicContact CD2-CD2 4.18Å; L98-C113 HydrophobicContact CD1-CB 4.01Å; L98-C113 HydrophobicContact CD2-CB 3.45Å; L98-C113 VanDerWaalsContact CD2-CB 3.45Å; L98-C113 HydrophobicContact CG-CB 3.62Å; L98-L117 HydrophobicContact CD1-CD1 3.97Å
99D47.2Very low46.1Very low77 Ų7788 Ų8841%0.41247%0.471SS..Hα-helixtrans-59.2-42.5179.6-60.9-8.3000110.7Q95 Q102 C103Q95-D99 PolarHBondContact NE2-OD1 3.44Å; Q95-D99 VanDerWaalsContact O-CG 3.26Å; Q95-D99 PolarHBondContact O-N 2.69Å; D99-Q102 PolarHBondContact O-N 2.86Å; D99-C103 WeakPolarHBondContact O-CB 3.25Å; D99-C103 PolarHBondContact O-N 3.04Å; D99-C103 PolarHBondContact O-SG 2.74Å; D99-C103 VanDerWaalsContact O-SG 3.35Å
100I46.1Very low46.1Very low97 Ų9785.8 Ų85.850%0.49746%0.459SS..Hα-helixtrans-65.3-41.3175.7-70.4168.1000111.7A96 M97 L98 C103 L104A96-I100 WeakPolarHBondContact O-CD1 3.5Å; A96-I100 VanDerWaalsContact O-CG1 3.23Å; A96-I100 WeakPolarHBondContact O-CG1 3.46Å; A96-I100 PolarHBondContact O-N 2.89Å; M97-I100 PolarHBondContact O-N 2.82Å; L98-I100 VanDerWaalsContact C-N 3.29Å; L98-I100 PolarHBondContact O-N 2.98Å; I100-C103 PolarHBondContact O-N 2.88Å; I100-L104 HydrophobicContact CG2-CD1 4.13Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 3.28Å; I100-L104 PolarHBondContact O-N 3.18Å
101A42.6Very low46.2Very low12 Ų1288.2 Ų88.210%0.09947%0.467CS..Hα-helixtrans-67.1-38177.200000112.1M97 L98 L104 Q105 V109M97-A101 WeakPolarHBondContact O-CB 3.47Å; M97-A101 PolarHBondContact O-N 2.64Å; L98-A101 PolarHBondContact O-N 2.73Å; L98-A101 VanDerWaalsContact O-N 3.11Å; A101-L104 CarbonylContact O-C 3.56Å; A101-L104 PolarHBondContact O-N 2.95Å; A101-L104 VanDerWaalsContact O-N 3.08Å; A101-Q105 PolarHBondContact O-N 3.1Å; A101-V109 HydrophobicContact CB-CB 4.2Å; A101-V109 HydrophobicContact CB-CG1 3.7Å
102Q44.3Very low46.6Very low118 Ų11885.3 Ų85.355%0.55146%0.456SS*.Hα-helixtrans-67.7-39.5176.6-164.7170.110.600111.4L98 D99 L104 Q105L98-Q102 WeakPolarHBondContact O-CB 3.16Å; L98-Q102 PolarHBondContact O-N 3.05Å; D99-Q102 PolarHBondContact O-N 2.86Å; Q102-L104 PolarHBondContact O-N 2.65Å; Q102-Q105 PolarHBondContact O-N 3.03Å
103C43.5Very low46.8Very low113 Ų11380.6 Ų80.676%0.76443%0.432SS*.THydrogen-bonded Turntrans-63.2-13.3169-73.50000114.7D99 I100D99-C103 WeakPolarHBondContact O-CB 3.25Å; D99-C103 PolarHBondContact O-N 3.04Å; D99-C103 PolarHBondContact O-SG 2.74Å; D99-C103 VanDerWaalsContact O-SG 3.35Å; I100-C103 PolarHBondContact O-N 2.88Å
104L39.7Very low46.8Very low102 Ų10281.9 Ų81.953%0.53444%0.435SS..THydrogen-bonded Turntrans-1080.3179.4-67.7170.4000113.5I100 A101 Q102 V106I100-L104 HydrophobicContact CG2-CD1 4.13Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 3.28Å; I100-L104 PolarHBondContact O-N 3.18Å; A101-L104 CarbonylContact O-C 3.56Å; A101-L104 PolarHBondContact O-N 2.95Å; A101-L104 VanDerWaalsContact O-N 3.08Å; Q102-L104 PolarHBondContact O-N 2.65Å; L104-V106 HydrophobicContact CB-CG2 4.29Å; L104-V106 WeakPolarHBondContact O-CG2 3.21Å; L104-V106 PolarHBondContact O-N 3.41Å; L104-V106 VanDerWaalsContact O-N 3.11Å
105Q44.6Very low46.8Very low173 Ų17383.7 Ų83.781%0.80845%0.45SS*.THydrogen-bonded Turntrans54.623.1176.9-62-169.9-1200116.3A101 Q102 Q107A101-Q105 PolarHBondContact O-N 3.1Å; Q102-Q105 PolarHBondContact O-N 3.03Å; Q105-Q107 PolarHBondContact O-N 3.15Å; Q105-Q107 VanDerWaalsContact O-N 3.12Å
106V46.5Very low46.8Very low68 Ų6885.5 Ų85.541%0.41246%0.456SS..  trans-84.388.7179.1-170.40000110.6L104 N108 V109L104-V106 HydrophobicContact CB-CG2 4.29Å; L104-V106 WeakPolarHBondContact O-CG2 3.21Å; L104-V106 PolarHBondContact O-N 3.41Å; L104-V106 VanDerWaalsContact O-N 3.11Å; V106-N108 PolarHBondContact O-N 2.89Å; V106-N108 VanDerWaalsContact O-N 3.08Å; V106-V109 HydrophobicContact CB-CG2 4.27Å; V106-V109 HydrophobicContact CG1-CG2 3.98Å; V106-V109 PolarHBondContact O-N 3.44Å
107Q42.6Very low46.9Very low152 Ų15286.5 Ų86.571%0.7146%0.455SS*.Hα-helixtrans-53.4-32.6-174.3-71.3-170.5-11.500114.8Q105 V109 L110 N111Q105-Q107 PolarHBondContact O-N 3.15Å; Q105-Q107 VanDerWaalsContact O-N 3.12Å; Q107-V109 PolarHBondContact O-N 3.03Å; Q107-L110 PolarHBondContact O-N 3.23Å; Q107-N111 PolarHBondContact O-N 3.17Å
108N49.9Very low47Very low125 Ų12590.9 Ų90.967%0.66847%0.472SS*.Hα-helixtrans-60.7-31.3177.9-69.8-4.5000113V106 I112V106-N108 PolarHBondContact O-N 2.89Å; V106-N108 VanDerWaalsContact O-N 3.08Å; N108-I112 WeakPolarHBondContact O-CD1 3.32Å; N108-I112 WeakPolarHBondContact O-CG1 3.49Å
109V48.4Very low46.9Very low50 Ų5093.6 Ų93.630%0.30349%0.491SS..Hα-helixtrans-77.9-39.5178.4-176.80000110.8A101 V106 Q107 N111 I112 C113A101-V109 HydrophobicContact CB-CB 4.2Å; A101-V109 HydrophobicContact CB-CG1 3.7Å; V106-V109 HydrophobicContact CB-CG2 4.27Å; V106-V109 HydrophobicContact CG1-CG2 3.98Å; V106-V109 PolarHBondContact O-N 3.44Å; Q107-V109 PolarHBondContact O-N 3.03Å; V109-N111 VanDerWaalsContact C-N 3.34Å; V109-N111 PolarHBondContact O-N 2.83Å; V109-I112 PolarHBondContact O-N 3.26Å; V109-C113 PolarHBondContact O-N 3.4Å; V109-C113 PolarHBondContact O-SG 3.29Å
110L47.6Very low46.7Very low35 Ų3593.1 Ų93.118%0.18349%0.494CS..Hα-helixtrans-57.2-44.6176.2-86.9158.4000112.1L98 Q107 I112 C113 H114L98-L110 HydrophobicContact CD2-CD2 4.18Å; Q107-L110 PolarHBondContact O-N 3.23Å; L110-I112 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 2.92Å; L110-C113 PolarHBondContact O-N 3.48Å; L110-H114 WeakPolarHBondContact O-CB 3.24Å; L110-H114 PolarHBondContact O-CD2 3Å; L110-H114 VanDerWaalsContact O-CD2 3.24Å; L110-H114 PolarHBondContact O-N 3.25Å
111N49.1Very low46.3Very low114 Ų11494.2 Ų94.261%0.6151%0.505SS*.Hα-helixtrans-62.7-37.2177.7-78.1-20.1000113.1Q107 V109 S115Q107-N111 PolarHBondContact O-N 3.17Å; V109-N111 VanDerWaalsContact C-N 3.34Å; V109-N111 PolarHBondContact O-N 2.83Å; N111-S115 PolarHBondContact O-N 2.94Å
112I52.9Low46Very low98 Ų9897.3 Ų97.350%0.50353%0.531SS..Hα-helixtrans-69.4-44.1176.8-64.9167.8000110.5N108 V109 L110 S115 F116N108-I112 WeakPolarHBondContact O-CD1 3.32Å; N108-I112 WeakPolarHBondContact O-CG1 3.49Å; V109-I112 PolarHBondContact O-N 3.26Å; L110-I112 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 2.92Å; I112-S115 PolarHBondContact O-N 2.79Å; I112-S115 PolarHBondContact O-OG 3.11Å; I112-F116 PolarHBondContact O-N 3.19Å
113C46.6Very low45.7Very low23 Ų2398.4 Ų98.416%0.15554%0.539CS..Hα-helixtrans-68.3-36.8178.7-64.50000112.6L98 V109 L110 F116 L117L98-C113 HydrophobicContact CD1-CB 4.01Å; L98-C113 HydrophobicContact CD2-CB 3.45Å; L98-C113 VanDerWaalsContact CD2-CB 3.45Å; L98-C113 HydrophobicContact CG-CB 3.62Å; V109-C113 PolarHBondContact O-N 3.4Å; V109-C113 PolarHBondContact O-SG 3.29Å; L110-C113 PolarHBondContact O-N 3.48Å; C113-F116 PolarHBondContact O-N 3.45Å; C113-L117 PolarHBondContact O-N 2.92Å
114H50.6Low45.2Very low110 Ų110102 Ų10251%0.50955%0.545SS..Hα-helixtrans-66.9-34.3171.9-83.1-66.3000112.8L110 K118L110-H114 WeakPolarHBondContact O-CB 3.24Å; L110-H114 PolarHBondContact O-CD2 3Å; L110-H114 VanDerWaalsContact O-CD2 3.24Å; L110-H114 PolarHBondContact O-N 3.25Å; H114-K118 VanDerWaalsContact O-CB 3.3Å; H114-K118 WeakPolarHBondContact O-CB 3.2Å; H114-K118 PolarHBondContact O-N 3.44Å
115S50.5Low44.6Very low73 Ų73106.1 Ų106.151%0.5156%0.561SS.*Hα-helixtrans-67.4-3917478.60000111.6N111 I112 K118 S119N111-S115 PolarHBondContact O-N 2.94Å; I112-S115 PolarHBondContact O-N 2.79Å; I112-S115 PolarHBondContact O-OG 3.11Å; S115-K118 PolarHBondContact O-N 2.87Å; S115-S119 PolarHBondContact O-N 2.78Å
116F46.8Very low44Very low129 Ų129104 Ų10457%0.56656%0.562SS**Hα-helixtrans-61.5-51.3175.6-155.4-90.1000111.3I112 C113 K118 S119 S120I112-F116 PolarHBondContact O-N 3.19Å; C113-F116 PolarHBondContact O-N 3.45Å; F116-K118 VanDerWaalsContact C-N 3.33Å; F116-K118 PolarHBondContact O-N 2.96Å; F116-S119 PolarHBondContact O-N 3.25Å; F116-S119 VanDerWaalsContact O-N 3.11Å; F116-S119 PolarHBondContact O-OG 2.62Å; F116-S120 PolarHBondContact O-N 2.85Å; F116-S120 PolarHBondContact O-OG 2.9Å; F116-S120 VanDerWaalsContact O-OG 3.14Å
117L51.4Low43.1Very low68 Ų68105.8 Ų105.836%0.35658%0.584SS.*Hα-helixtrans-55.9-45.1174.6-79.2163.6000112.4L98 C113 S119 S120 T121L98-L117 HydrophobicContact CD1-CD1 3.97Å; C113-L117 PolarHBondContact O-N 2.92Å; L117-S119 VanDerWaalsContact C-N 3.28Å; L117-S119 PolarHBondContact O-N 2.84Å; L117-S120 PolarHBondContact O-N 3.03Å; L117-S120 VanDerWaalsContact O-N 3.15Å; L117-T121 PolarHBondContact O-N 3.25Å; L117-T121 VanDerWaalsContact O-N 3.16Å; L117-T121 PolarHBondContact O-OG1 3.16Å
118K47.5Very low42.3Very low164 Ų164104.4 Ų104.471%0.71359%0.592SS**Hα-helixtrans-65.6-29.8179-167.6171.9-176.3177.80112.9H114 S115 F116 T121H114-K118 VanDerWaalsContact O-CB 3.3Å; H114-K118 WeakPolarHBondContact O-CB 3.2Å; H114-K118 PolarHBondContact O-N 3.44Å; S115-K118 PolarHBondContact O-N 2.87Å; F116-K118 VanDerWaalsContact C-N 3.33Å; F116-K118 PolarHBondContact O-N 2.96Å; K118-T121 PolarHBondContact O-OG1 2.91Å
119S46.5Very low41.3Very low65 Ų65106.9 Ų106.946%0.45560%0.601SS.*Hα-helixtrans-74.9-33.1172.774.90000112.9S115 F116 L117 A122S115-S119 PolarHBondContact O-N 2.78Å; F116-S119 PolarHBondContact O-N 3.25Å; F116-S119 VanDerWaalsContact O-N 3.11Å; F116-S119 PolarHBondContact O-OG 2.62Å; L117-S119 VanDerWaalsContact C-N 3.28Å; L117-S119 PolarHBondContact O-N 2.84Å; S119-A122 PolarHBondContact O-N 3.1Å
120S42.6Very low41.2Very low67 Ų67109.8 Ų109.847%0.46962%0.621SS.*Hα-helixtrans-69.1-31.8175.9-53.60000113F116 L117 A122F116-S120 PolarHBondContact O-N 2.85Å; F116-S120 PolarHBondContact O-OG 2.9Å; F116-S120 VanDerWaalsContact O-OG 3.14Å; L117-S120 PolarHBondContact O-N 3.03Å; L117-S120 VanDerWaalsContact O-N 3.15Å; S120-A122 VanDerWaalsContact C-N 3.26Å; S120-A122 PolarHBondContact O-N 3.39Å
121T38.1Very low40Very low119 Ų119112.6 Ų112.673%0.7364%0.642SS**THydrogen-bonded Turntrans-78.6-0.2178.250.20000114.8L117 K118L117-T121 PolarHBondContact O-N 3.25Å; L117-T121 VanDerWaalsContact O-N 3.16Å; L117-T121 PolarHBondContact O-OG1 3.16Å; K118-T121 PolarHBondContact O-OG1 2.91Å
122A36.3Very low38.8Very low77 Ų77114.4 Ų114.464%0.63665%0.652SS**THydrogen-bonded Turntrans-101.18.9-171.300000114.8S119 S120S119-A122 PolarHBondContact O-N 3.1Å; S120-A122 VanDerWaalsContact C-N 3.26Å; S120-A122 PolarHBondContact O-N 3.39Å
123I39.3Very low37.5Very low141 Ų141114.9 Ų114.972%0.72366%0.664SS**  trans-105.76.4-165.2-57.2-179.5000113.2
124E31.5Very low36.5Very low189 Ų189119 Ų11988%0.88369%0.688SS**  trans-122.680.3168.5-72.1-157.1137.300113.4
125Q27.8Very low35.3Very low188 Ų188122.5 Ų122.588%0.87970%0.703SS**SBendtrans-158.5150.1140.2-108.2174.731.800110.1
126P30.8Very low34.1Very low128 Ų128123.2 Ų123.283%0.83171%0.708SS**  trans-81.2161.4-168.432.8-35.4000114
127A29.2Very low33.2Very low106 Ų106124 Ų12488%0.87672%0.717SS**  trans-81.9144.3-163.100000116.2
128S24.5Very low32Very low124 Ų124128 Ų12887%0.86773%0.734SS**  trans-143.9147.6151.759.90000110.7
129M28.7Very low31Very low177 Ų177124.6 Ų124.687%0.87273%0.731SS**  trans-111.7172.8-176.1-79.3-85.8-169.600110
130P46.8Very low30Very low111 Ų111125.6 Ų125.672%0.72174%0.743SS**  cis-117.8-151.9-21.328.6-4.9000109.1
131C22.8Very low29.2Very low93 Ų93130.2 Ų130.263%0.62876%0.761SS**  cis-178.7155.829.5-1460000111.4
132N24.4Very low28.6Very low153 Ų153129.5 Ų129.582%0.81876%0.757SS**  trans62.1162.3155.3-64.7-16.1000118.5
133S25.2Very low28.3Very low107 Ų107131.3 Ų131.375%0.74876%0.76SS**  cis-157159.1-20.4169.40000110.4
134V25.9Very low27.7Very low110 Ų110131 Ų13167%0.66776%0.76SS**  trans-44.9138174.9-157.30000116.1
135F25.7Very low27.7Very low184 Ų184126.2 Ų126.281%0.80775%0.748SS**  159.5144.4117.3-100.5-72.1000118.1
136S24.8Very low27.6Very low88 Ų88122.7 Ų122.762%0.61574%0.744SS**  trans46.3131.6146.1-78.50000125.9
137L27.4Very low27.3Very low146 Ų146123 Ų12376%0.76475%0.748SS**  31134122-60.4164.2000118.6
138Q27.1Very low27Very low152 Ų152122.5 Ų122.571%0.7174%0.743SS**  177.215767.2-169.661.25800111.7
139S25.7Very low27.1Very low92 Ų92123 Ų12364%0.64374%0.736SS**  trans8.8124.4160.4-570000124.1
140A25.5Very low27Very low86 Ų86121 Ų12171%0.71173%0.729SS**  68.5136.5113.400000124.2
141L26.3Very low26.2Very low163 Ų163119.4 Ų119.485%0.85372%0.721SS**  trans69.5159.5156.1-60171.1000116.4
142T25.9Very low26.5Very low105 Ų105126.2 Ų126.264%0.64474%0.735SS**  cis-158.4169.811-16.80000111
143T29.2Very low26.5Very low114 Ų114122.3 Ų122.370%0.69973%0.73SS**  trans63.1160.3147.9560000119.3
144D26.7Very low26.7Very low136 Ų136122.9 Ų122.973%0.72773%0.73SS**  cis-166.4-178.5-13.8-111.828.2000108.7
145S31.4Very low26.8Very low88 Ų88124.3 Ų124.362%0.61573%0.733SS**  cis-178.3178.5-43.369.80000108.4
146S25.3Very low26.9Very low114 Ų114122.7 Ų122.780%0.79773%0.732SS**  trans-179.6152.5142.739.90000112
147C24.6Very low27Very low135 Ų135125.9 Ų125.991%0.91274%0.742SS**  trans-140.2138.8177.7-700000111
148A23.4Very low26.8Very low95 Ų95127.2 Ų127.279%0.78574%0.744SS**  trans-160.8120.4153.900000106.5
149N27.2Very low26.7Very low134 Ų134127.4 Ų127.472%0.71774%0.744SS**  cis81.5105.338.4-167.485.6000113.8
150D25.7Very low26.6Very low134 Ų134127.4 Ų127.472%0.71774%0.744SS**  -169.8130.7116.9-110.5-46.4000115.1
151S30.3Very low26.8Very low79 Ų79128.2 Ų128.255%0.55274%0.744SS**  trans35.8150.3130.8-46.70000122.1
152Y28.5Very low26.9Very low236 Ų236124.6 Ų124.693%0.92573%0.732SS**  cis-154.7161.525-104.3-76000112.3
153G23.9Very low26.8Very low70 Ų70126.6 Ų126.672%0.72274%0.739SS**  trans146.4125.7157.200000116
154T30Very low26.6Very low120 Ų120127.6 Ų127.674%0.73675%0.745SS**  trans-141.6161.8-170.947.20000115.8
155N29.1Very low26.8Very low139 Ų139130.2 Ų130.274%0.74375%0.753SS**  trans119.6116141.6-59.8-48.1000118.2
156L27.1Very low26.5Very low150 Ų150129.6 Ų129.679%0.78575%0.753SS**  162.8116.4108.2-88.1168.7000114
157L26Very low26.4Very low155 Ų155131.4 Ų131.481%0.81275%0.754SS**  trans60159.4149.8-52.5176.9000119.1
158H24.8Very low26.5Very low175 Ų175135.1 Ų135.181%0.8176%0.755SS**  cis-134.5166.9-1.1-162.7-81.7000110.5
159E23.9Very low26.5Very low155 Ų155134.8 Ų134.872%0.72475%0.752SS**  trans-112.4161.2-169.1-152.9-166.114200114.8
160C24.9Very low26.4Very low93 Ų93136.1 Ų136.163%0.62876%0.758SS**  trans101.4136.2133.4-121.10000122.8
161S28.2Very low26.4Very low102 Ų102135.2 Ų135.271%0.71376%0.757SS**  trans79.2146.3140.3-72.80000122.8
162S28.3Very low26.1Very low88 Ų88137.5 Ų137.562%0.61576%0.763SS**  cis-168.5174.6-11.647.70000114.7
163D24.1Very low26Very low146 Ų146133.2 Ų133.278%0.78175%0.752SS**  trans96.8146.6143.2-67-48.3000123.2
164T26.3Very low26Very low135 Ų135137.8 Ų137.883%0.82875%0.754SS**  trans-165.9120.9178.5-65.90000109.7
165Q29.3Very low25.9Very low192 Ų192135.4 Ų135.490%0.89774%0.742SS**  trans-160.5128.2159.6-118.8-177.732.800117
166A25.4Very low25.7Very low75 Ų75137.7 Ų137.762%0.6275%0.748SS**  trans53.212013300000124.6
167N24.4Very low25.5Very low152 Ų152133.5 Ų133.581%0.81374%0.741SS**  57.3118.3126.6-65.7-37.9000122.5
168K25.7Very low25.4Very low213 Ų213131.6 Ų131.693%0.92674%0.741SS**  -173.6172.899.8-107179.1179.1178.30113
169A24.6Very low25.4Very low87 Ų87132.1 Ų132.172%0.71974%0.743SS**  trans-140151.3175.600000111.2
170L23.9Very low25.4Very low162 Ų162129.1 Ų129.185%0.84874%0.739SS**  trans-176.9118.6138-121.379.1000112.4
171V25.3Very low25.3Very low115 Ų115131.2 Ų131.270%0.69775%0.749SS**  47.8119.1117.1-177.30000121
172D24.1Very low25Very low127 Ų127130.7 Ų130.768%0.67975%0.746SS**  trans109.7121.3134.6-85.35.2000126.9
173Q26.3Very low24.8Very low147 Ų147133.3 Ų133.369%0.68775%0.752SS**  trans84.6121.4130.1-67.6-172.350.200125.8
174H25.1Very low24.8Very low166 Ų166134.6 Ų134.677%0.76975%0.753SS**  43.7154125.8-73.5-72.7000123.8
175S27Very low25Very low69 Ų69131.8 Ų131.848%0.48374%0.743SS.*  cis-174.4-176.4-3447.70000110.9
176H26.1Very low25.7Very low188 Ų188128.1 Ų128.187%0.8774%0.736SS**  trans79.3145174.3-44.6-80.1000117.2
177G22.4Very low25.6Very low62 Ų62130.1 Ų130.164%0.63975%0.745SS**  cis168.4157.2-13.800000116.8
178S24.2Very low25.6Very low115 Ų115126.5 Ų126.580%0.80474%0.744SS**  trans69.2137.9151.944.30000123.7
179Q24.1Very low25.6Very low185 Ų185124.1 Ų124.186%0.86474%0.741SS**  trans71.2155.5153.1-70.2176.215.600119.6
180S23.7Very low25.6Very low92 Ų92125.7 Ų125.764%0.64374%0.742SS**  cis-173.9174.1-28.6590000111.3
181V23Very low25.5Very low137 Ų137125.9 Ų125.983%0.8374%0.738SS**  trans72.8160.8164.41800000116.3
182S22.6Very low25.5Very low92 Ų92129.8 Ų129.864%0.64375%0.746SS**  -178.3168.5-53.1-1620000109.3
183L23.6Very low25.7Very low142 Ų142132.2 Ų132.274%0.74375%0.754SS**  trans67.4145.4169.7-52.6167.8000114.7
184H25Very low26Very low174 Ų174130 Ų13081%0.80675%0.752SS**  cis-148.1158.637.6-113.6-83.3000115.1
185A28.9Very low26Very low75 Ų75129.6 Ų129.662%0.6275%0.75SS**  trans-127.7-167.5154.100000106.4
186P44.6Very low25.8Very low116 Ų116132.6 Ų132.675%0.75376%0.76SS**  cis-141.7-144.91.542.3-19.6000113.3
187S24Very low25.8Very low116 Ų116128 Ų12881%0.81175%0.75SS**  trans94.9129.1159.4-53.60000117.5
188G23.6Very low26.2Very low77 Ų77131.8 Ų131.879%0.79475%0.754SS**  cis-179.9168.3-6.400000114.4
189D24.8Very low26.2Very low162 Ų162135 Ų13587%0.86676%0.757SS**  trans-64.8160.1167.8-71.5-77.2000112.6
190V25.3Very low26.4Very low121 Ų121129.7 Ų129.773%0.73375%0.751SS**  173.1124.8121.5149.10000112.5
191Q23.2Very low26.5Very low165 Ų165130.8 Ų130.877%0.77176%0.759SS**  trans40.8122.8151.6-59.6170.8-16.100121
192K25.2Very low26.6Very low197 Ų197129.4 Ų129.486%0.85775%0.754SS**  -173.9121.995.4-99.2173.8-175.7176.10114.5
193Q27.9Very low26.8Very low179 Ų179130.7 Ų130.784%0.83676%0.758SS**  trans-77.2169.6135.9-95.5-170.3-12.100108.3
194P32.5Very low26.9Very low100 Ų100132.1 Ų132.165%0.64976%0.761SS**  cis-147.2-171.125.544-24000117.9
195H24.1Very low27.2Very low157 Ų157130.5 Ų130.573%0.72776%0.758SS**  trans87.2136.2142.9-93.9-76.7000123.2
196D23.9Very low27.5Very low132 Ų132132.6 Ų132.671%0.70677%0.765SS**  trans69.4135.6151.5-58.1-27000120.7
197S26Very low26.6Very low92 Ų92135.5 Ų135.564%0.64377%0.766SS**  cis-156.9165.1-1.5-121.80000113.8
198L29.2Very low26.6Very low141 Ų141140 Ų14074%0.73877%0.771SS**  trans7.6148.1159.2-76.775.6000120.3
199E25.1Very low26.8Very low183 Ų183143.6 Ų143.686%0.85577%0.767SS**  cis-162.1163.82.3-129.9174.2172.200109
200G27.7Very low27.3Very low73 Ų73141.5 Ų141.575%0.75376%0.763SS**  trans171.715.1177.800000123.7
201S26.8Very low27.2Very low116 Ų116140.8 Ų140.881%0.81176%0.755SS**  trans59.2100.4169.5-158.40000119.8
202C24.8Very low27.2Very low107 Ų107143.9 Ų143.972%0.72376%0.761SS**  6.2152112.9-56.30000118.8
203T27Very low27.3Very low119 Ų119144.2 Ų144.273%0.7376%0.758SS**  cis-173.9160.7-5.422.40000106.7
204E24.6Very low27.2Very low173 Ų173146.4 Ų146.481%0.80876%0.761SS**  cis-162.3-154.7-24-146.9-170.5129.400108.7
205L31.3Very low26.9Very low140 Ų140150.2 Ų150.273%0.73377%0.767SS**  trans-132.5174.4167.2-79.2168.5000109.4
206P35.6Very low27Very low119 Ų119150.8 Ų150.877%0.77377%0.774SS**  -145.3127.2105.232.8-15.9000116.7
207F25.4Very low27.2Very low177 Ų177154.6 Ų154.678%0.77678%0.779SS**  trans40.7122.9135.7-72.2-91.1000122
208K24.7Very low27.4Very low209 Ų209155.5 Ų155.591%0.90978%0.776SS**  -155.813989.2-104.2169.2-176.1174.50113.6
209Q28.6Very low27.3Very low153 Ų153157.6 Ų157.672%0.71578%0.78SS**  trans-144.2153.8171.8-123.9-172.44500106.8
210P34.7Very low27.5Very low118 Ų118159.8 Ų159.877%0.76678%0.782SS**  -136.1153.776.232-14.1000113.2
211N24.1Very low27.7Very low106 Ų106160.8 Ų160.857%0.56778%0.778SS**  cis80.3105.838.4-167.54.4000114.3
212Y23.1Very low27.9Very low230 Ų230164.5 Ų164.590%0.90278%0.779SS**  trans-150.5112.8157-101.6-72.2000111.2
213Y26.8Very low28.2Very low205 Ų205168 Ų16880%0.80479%0.785SS**  trans-82.5146.7160.4-114.9-101.3000109.2
214Y25.2Very low28.4Very low225 Ų225171.8 Ų171.888%0.88279%0.791SS**  trans-160151.3133.1-122.8-80.8000113.2
215K26.4Very low28.8Very low179 Ų179174.2 Ų174.278%0.77880%0.795SS**  trans-80.8139.2172.8-58164.9-177.5168.50109.8
216L25.5Very low28.6Very low170 Ų170177.3 Ų177.389%0.8980%0.802SS**  trans-156.9124.4142.5-113.1155.8000111.3
217R28.1Very low28.2Very low212 Ų212181 Ų18180%0.881%0.809SS**  trans-124.8145.9-177.2164.5178.2171.1-176.6-3.5108.2
218N30.8Very low28.4Very low110 Ų110180.9 Ų180.959%0.58882%0.817SS**  trans62.3106.1175.6-63.7-3.8000116.3
219F27.7Very low28.5Very low185 Ų185175.6 Ų175.681%0.81181%0.812SS**SBendtrans-137.4-4.5154-127.3-86.4000115.7
220Y29.3Very low28.5Very low229 Ų229174.6 Ų174.690%0.89882%0.82SS**SBendtrans-112.420.3-173.8-96-76.6000116
221S31.9Very low27.9Very low95 Ų95174.3 Ų174.366%0.66482%0.821SS**SBendtrans-126.321.818077.50000114.9
222K31.2Very low28Very low194 Ų194176.7 Ų176.784%0.84383%0.834SS**SBendtrans-1342.9-174.7-111.5-173.7178-173.40117.2
223Q31.1Very low28.3Very low179 Ų179173.9 Ų173.984%0.83683%0.829SS**SBendtrans-90.6-2.8178.4-78.6-171.5-21.600115.3
224F30.3Very low28.3Very low199 Ų199170.5 Ų170.587%0.87382%0.82SS**SBendtrans-108.510.4-175.1-111.3-80.2000116
225Y33.3Very low28.4Very low224 Ų224169.2 Ų169.288%0.87881%0.814SS**SBendtrans-144.670173.7-92.6-75.6000112.3
226K27.8Very low28.4Very low206 Ų206167.4 Ų167.490%0.89681%0.811SS**  trans-179.383.1141.4-104.7-174.6177.1-168.80112
227Q27.2Very low28.4Very low197 Ų197164.7 Ų164.792%0.92180%0.802SS**  trans-146.182.6150.4-119.7-177.80.400108.4
228N28.8Very low28.2Very low173 Ų173162.5 Ų162.593%0.92580%0.801SS**SBendtrans-171.767.1161.5-107.95.6000108.5
229A27.6Very low27.9Very low98 Ų98165.3 Ų165.381%0.8181%0.81SS**SBendtrans-162.5125165.100000106.4
230C26.9Very low27.7Very low132 Ų132161.1 Ų161.189%0.89280%0.804SS**  trans-76.1153.5-177-60.60000111.7
231S23.5Very low27.4Very low113 Ų113159.2 Ų159.279%0.7980%0.801SS**  trans-65.5143162.1-52.60000110.2
232N25.9Very low26.9Very low156 Ų156159.2 Ų159.283%0.83480%0.801SS**  trans-161.2144.8139.5-110.2-19.7000113
233H28.4Very low26.6Very low170 Ų170159.7 Ų159.779%0.78780%0.799SS**  trans64.6150.7171.6-91.7-81.6000121.5
234E26.8Very low26.2Very low134 Ų134157.3 Ų157.363%0.62679%0.792SS**  trans-114.3150.8-170.716.9147.285.200110
235R28.8Very low25.9Very low198 Ų198153.4 Ų153.475%0.74778%0.784SS**  164.8125.9111.7-86.6179.4-167-172.94.5115
236I25.3Very low25.5Very low142 Ų142147.5 Ų147.573%0.72878%0.776SS**  62151.7126.2-51.5171.1000120.3
237T25.5Very low25.5Very low113 Ų113143.3 Ų143.369%0.69377%0.767SS**  trans86.991.3160.916.60000121.1
238E24.9Very low25.5Very low165 Ų165142.4 Ų142.477%0.77176%0.763SS**  65.3138122.4-66.1-176.9172.400125.4
239Q24.2Very low25.4Very low169 Ų169141.6 Ų141.679%0.7976%0.757SS**  trans18.5150.7139.9-52.7-173.71.400120.4
240S23.1Very low25.3Very low97 Ų97144.1 Ų144.168%0.67876%0.757SS**  cis-169.1160.433.4-7.70000114.2
241F23.2Very low25.2Very low189 Ų189142.3 Ų142.383%0.82975%0.752SS**  trans42.2104147.4-77.8-96.9000123.8
242S22.1Very low25.2Very low95 Ų95141.1 Ų141.166%0.66475%0.749SS**  66138.2106.4-53.60000125.8
243Y23.5Very low25.2Very low205 Ų205141.5 Ų141.580%0.80475%0.746SS**  trans92.4115.2145.9-78.3-57.6000123.8
244N23.2Very low25Very low129 Ų129138.9 Ų138.969%0.6974%0.737SS**  trans59.9111134.8-75.912.4000124.5
245T23.3Very low25Very low116 Ų116139.6 Ų139.671%0.71275%0.746SS**  31125116.163.50000118.9
246S26.2Very low24.6Very low100 Ų100135.1 Ų135.170%0.69975%0.745SS**  177.5167.773.5-820000112.8
247T26.9Very low24.5Very low118 Ų118133.5 Ų133.572%0.72475%0.745SS**  trans50.6107.315646.30000118.5
248E26.4Very low24.5Very low178 Ų178134.5 Ų134.583%0.83275%0.751SS**  70118.479.6-73.3-171.415900115.4
249I28.3Very low24.5Very low157 Ų157132.2 Ų132.281%0.80575%0.748SS**  179.6121.3118.2-90.7159.5000111.6
250N24.5Very low24.5Very low150 Ų150131.7 Ų131.780%0.80275%0.75SS**  trans27.1143.1150.3-62.3-41.3000125.8
251A24.3Very low24.7Very low94 Ų94136 Ų13678%0.77776%0.76SS**  trans88.7134.9132.800000122.3
252A24.6Very low24.9Very low89 Ų89132.1 Ų132.174%0.73676%0.756SS**  trans70.8142.714300000119
253E25.2Very low25Very low163 Ų163135.9 Ų135.976%0.76276%0.763SS**  cis-159.9158.3-6.3-125.7-177.4-142.700112.8
254N24.4Very low25Very low115 Ų115131.7 Ų131.762%0.61576%0.762SS**  trans50.6139.5142.2-73.9-29.9000124.2
255N26.5Very low25.1Very low150 Ų150132.8 Ų132.880%0.80277%0.767SS**  trans71.1157.4148.9-64.6-26.4000120
256S21.7Very low25.2Very low104 Ų104133.9 Ų133.973%0.72777%0.767SS**  cis-170.4161.7-33.7-169.20000108.4
257C23.1Very low25.1Very low108 Ų108136.4 Ų136.473%0.7377%0.768SS**  trans-44.1148.6176.9-52.90000116.3
258T23.9Very low25.1Very low133 Ų133135.6 Ų135.682%0.81676%0.763SS**  -178.6122.4114.625.30000111.3
259V25.4Very low25.2Very low117 Ų117132.2 Ų132.271%0.70976%0.759SS**  72.7115.698.5174.50000115.5
260N24.1Very low25Very low158 Ų158130.7 Ų130.785%0.84575%0.753SS**  -166.6158.1118.7-104-46.5000113.8
261H27.1Very low25.2Very low188 Ų188131.5 Ų131.587%0.8775%0.751SS**  trans-131.7134.3-179.2-94-87.1000110.5
262S27.9Very low25.2Very low107 Ų107134.8 Ų134.875%0.74876%0.755SS**  trans171154.4155.346.30000108.8
263E24.4Very low25.6Very low175 Ų175136.2 Ų136.282%0.81876%0.756SS**  cis-151.8138.9-18.2-97.4156146.200104.8
264C24.3Very low25.7Very low116 Ų116133 Ų13378%0.78475%0.752SS**  55.5115.577.1-820000116.1
265I25.5Very low25.8Very low153 Ų153134.3 Ų134.379%0.78576%0.759SS**  trans168.1117.7132.4-90.7161.7000113.2
266L25.2Very low25.7Very low138 Ų138135.6 Ų135.672%0.72376%0.758SS**  trans48.8158137.4-45.6-179.1000121.6
267E24.1Very low25.9Very low153 Ų153137.6 Ų137.672%0.71576%0.76SS**  cis-170-178.2-18.5-108.7178.7137.100107.8
268T25.4Very low26.1Very low102 Ų102138.3 Ų138.363%0.62676%0.76SS**  cis-159.1146.50.99.70000109
269S28.8Very low26.3Very low106 Ų106140.4 Ų140.474%0.74176%0.761SS**  trans58.4169.5150.5-45.70000119.2
270D25.1Very low26.2Very low126 Ų126140 Ų14067%0.67476%0.763SS**  cis-157175.24.5-144.8-46.3000112.7
271H29Very low26.2Very low166 Ų166140.2 Ų140.277%0.76976%0.763SS**  trans85.8119.1155.6-54.3-17.4000122
272L24.2Very low26.1Very low163 Ų163138.3 Ų138.385%0.85376%0.76SS**  trans-98.7177.9157.5-87.7169.3000108.6
273P33.1Very low25.9Very low119 Ų119142.5 Ų142.577%0.77377%0.768SS**  cis-148.7-170.72944.5-22.4000118.4
274S26Very low25.8Very low96 Ų96138.7 Ų138.767%0.67177%0.766SS**  trans-70165.5175.2-38.70000115.4
275N27.3Very low25.9Very low142 Ų142137.7 Ų137.776%0.75977%0.766SS**  -178.7132.9121.1-93.7-17.4000118.1
276F24.2Very low26.2Very low178 Ų178136.7 Ų136.778%0.78177%0.769SS**  trans66.8139132.3-82.6-123.1000125.7
277L26.6Very low26.2Very low146 Ų146136.7 Ų136.776%0.76477%0.77SS**  trans77.5102.2145-71.2166.4000123.3
278V27.4Very low26.5Very low123 Ų123137.9 Ų137.975%0.74578%0.776SS**  18.9124.7111.1-176.90000117.9
279Q26.3Very low26.3Very low177 Ų177137 Ų13783%0.82779%0.787SS**  trans-148137.2138.3-150.3161.27.500111.9
280S24.1Very low26.3Very low109 Ų109137.5 Ų137.576%0.76279%0.791SS**  trans-116.7148166.6-56.80000108.4
281L23.6Very low26.3Very low161 Ų161140.8 Ų140.884%0.84380%0.802SS**  trans-149.7146.5162.5-107.8168.7000110
282N24.8Very low26.4Very low149 Ų149138.2 Ų138.280%0.79780%0.803SS**  trans-98.6162.9176-64.5-39.3000110
283E23.6Very low26.5Very low195 Ų195136.2 Ų136.291%0.91180%0.797SS**  trans167.1150.5138.1-94.2176.3175.800108.4
284A23.9Very low26.9Very low94 Ų94138.4 Ų138.478%0.77780%0.802SS**  cis-154.8167.8-18.600000108.2
285A25.6Very low27.1Very low96 Ų96142 Ų14279%0.79381%0.812SS**  trans-114.9149.9169.700000110.9
286P31.9Very low27.4Very low131 Ų131142 Ų14285%0.85181%0.808SS**  trans-105167.6149.135.8-28.6000111.5
287D24.9Very low27.6Very low139 Ų139137.2 Ų137.274%0.74380%0.795SS**  trans-135.6171.7-162.2179.934.7000112.2
288Q30Very low28.5Very low177 Ų177134.6 Ų134.683%0.82779%0.785SS**  trans84.6140.9164.4-48.1-166.13.300119.3
289G22.6Very low29.2Very low83 Ų83137.5 Ų137.586%0.85679%0.787SS**  trans153.370.2-179.800000112.7
290S29Very low29.8Very low118 Ų118134.9 Ų134.983%0.82578%0.775SS**  trans-92.1133.3-173.558.30000114.2
291E23.8Very low30.4Very low195 Ų195134.7 Ų134.791%0.91176%0.764SS**  trans-154.1157.9143.5-134176.8-176.200112.6
292S30.8Very low31Very low112 Ų112133.9 Ų133.978%0.78375%0.749SS**  trans-114.5125.5-174.2173.80000110.6
293T25.9Very low31.8Very low121 Ų121132.2 Ų132.274%0.74274%0.74SS**  trans-138.4115168.2-64.50000112L295T293-L295 PolarHBondContact O-N 2.93Å
294L42.2Very low32.7Very low165 Ų165129 Ų12986%0.86472%0.723SS**  trans-33.6105.3168.5-173.975000114.8
295L30.1Very low33.6Very low171 Ų171132 Ų13290%0.89572%0.718SS**PPolyproline II helixtrans-96139.4178.6-93.4167.1000114T293T293-L295 PolarHBondContact O-N 2.93Å
296Q33.7Very low34.3Very low142 Ų142129.9 Ų129.966%0.66470%0.7SS**PPolyproline II helixtrans-81162.3-167.6-83.2-155.523.500115.8T298Q296-T298 PolarHBondContact O-N 3.33Å
297P28.9Very low35.4Very low78 Ų78128.7 Ų128.751%0.50669%0.686SS.*PPolyproline II helixtrans-54.6127.4174.9-26.134.9000113.4M301 R302P297-M301 HydrophobicContact CB-SD 4.42Å; P297-R302 PolarHBondContact O-NH1 3.48Å
298T44.8Very low36.5Very low91 Ų91128.1 Ų128.156%0.55868%0.678SS**PPolyproline II helixtrans-58.8147.4-173.364.50000112.7Q296 Q300 M301Q296-T298 PolarHBondContact O-N 3.33Å; T298-Q300 PolarHBondContact O-N 3.41Å; T298-M301 PolarHBondContact O-N 3Å
299K41.8Very low37.1Very low184 Ų184124.6 Ų124.680%0.867%0.665SS**Hα-helixtrans-51.8-29.4178.6-64.9176.3-178.7173.10112.1M301 R302 L303K299-M301 PolarHBondContact O-N 3.3Å; K299-R302 PolarHBondContact O-N 3.33Å; K299-L303 PolarHBondContact O-N 3.15Å
300Q40.5Very low38.6Very low121 Ų121128.8 Ų128.857%0.56566%0.66SS**Hα-helixtrans-63.2-34.8177.4-142.9-167.272.200114T298 K304T298-Q300 PolarHBondContact O-N 3.41Å; Q300-K304 WeakPolarHBondContact O-CB 3.18Å; Q300-K304 WeakPolarHBondContact O-CG 3.46Å; Q300-K304 PolarHBondContact O-N 3.28Å; Q300-K304 VanDerWaalsContact O-N 3.08Å
301M35.7Very low39.6Very low106 Ų106129.9 Ų129.952%0.52265%0.649SS.*Hα-helixtrans-68.5-38.8176.6-80.6-172.870.800112.6P297 T298 K299 K304 K305P297-M301 HydrophobicContact CB-SD 4.42Å; T298-M301 PolarHBondContact O-N 3Å; K299-M301 PolarHBondContact O-N 3.3Å; M301-K304 PolarHBondContact O-N 3.3Å; M301-K305 PolarHBondContact O-N 2.59Å
302R35.6Very low40.4Very low144 Ų144124.8 Ų124.854%0.54363%0.628SS.*Hα-helixtrans-63.6-43179.5-69.9177.6169.1111.6-13.7110.6P297 K299 K305 A306P297-R302 PolarHBondContact O-NH1 3.48Å; K299-R302 PolarHBondContact O-N 3.33Å; R302-K305 PolarHBondContact O-N 3.1Å; R302-A306 PolarHBondContact O-N 3.45Å; R302-A306 VanDerWaalsContact O-N 3.08Å
303L41.6Very low40.7Very low114 Ų114123.2 Ų123.260%0.59761%0.611SS**Hα-helixtrans-66-43.6174.6-174.560.8000112.8K299 K305 A306 I307K299-L303 PolarHBondContact O-N 3.15Å; L303-K305 PolarHBondContact O-N 2.85Å; L303-A306 PolarHBondContact O-N 3.2Å; L303-I307 HydrophobicContact CD1-CD1 4.19Å; L303-I307 HydrophobicContact CD1-CG1 4.46Å; L303-I307 HydrophobicContact CG-CD1 4.03Å; L303-I307 WeakPolarHBondContact O-CG1 3.27Å; L303-I307 PolarHBondContact O-N 3.49Å
304K44.2Very low41.5Very low128 Ų128124.1 Ų124.156%0.55761%0.605SS**Hα-helixtrans-59.7-43.4176-76.8169.8171.2174.80112.1Q300 M301 H308Q300-K304 WeakPolarHBondContact O-CB 3.18Å; Q300-K304 WeakPolarHBondContact O-CG 3.46Å; Q300-K304 PolarHBondContact O-N 3.28Å; Q300-K304 VanDerWaalsContact O-N 3.08Å; M301-K304 PolarHBondContact O-N 3.3Å; K304-H308 WeakPolarHBondContact O-CB 3.27Å; K304-H308 PolarHBondContact O-N 3.38Å; K304-H308 VanDerWaalsContact O-N 3.08Å
305K41.3Very low41.7Very low156 Ų156120.7 Ų120.768%0.67859%0.587SS**Hα-helixtrans-62.1-43.4173-84.9-169.2173-175.80112.5M301 R302 L303 I307 H308 L309M301-K305 PolarHBondContact O-N 2.59Å; R302-K305 PolarHBondContact O-N 3.1Å; L303-K305 PolarHBondContact O-N 2.85Å; K305-I307 PolarHBondContact O-N 3.08Å; K305-H308 PolarHBondContact O-N 3.41Å; K305-L309 WeakPolarHBondContact O-CB 3.41Å; K305-L309 PolarHBondContact O-N 3.04Å
306A42.1Very low42.2Very low51 Ų51121.1 Ų121.142%0.42158%0.576SS.*Hα-helixtrans-62.8-41.4-179.900000113.1R302 L303 K310R302-A306 PolarHBondContact O-N 3.45Å; R302-A306 VanDerWaalsContact O-N 3.08Å; L303-A306 PolarHBondContact O-N 3.2Å; A306-K310 PolarHBondContact O-N 3.36Å
307I54.9Low42.5Very low106 Ų106118.3 Ų118.354%0.54457%0.573SS.*Hα-helixtrans-67-44.2176.5-66168000110.7L303 K305 L309 K310 K311L303-I307 HydrophobicContact CD1-CD1 4.19Å; L303-I307 HydrophobicContact CD1-CG1 4.46Å; L303-I307 HydrophobicContact CG-CD1 4.03Å; L303-I307 WeakPolarHBondContact O-CG1 3.27Å; L303-I307 PolarHBondContact O-N 3.49Å; K305-I307 PolarHBondContact O-N 3.08Å; I307-L309 VanDerWaalsContact C-N 3.35Å; I307-L309 PolarHBondContact O-N 2.88Å; I307-K310 PolarHBondContact O-N 3.05Å; I307-K311 PolarHBondContact O-N 3.03Å
308H47.5Very low43.3Very low127 Ų127119.7 Ų119.759%0.58857%0.572SS**Hα-helixtrans-62.1-41.2177.2-163.1-85.7000112K304 K305 K311 L312K304-H308 WeakPolarHBondContact O-CB 3.27Å; K304-H308 PolarHBondContact O-N 3.38Å; K304-H308 VanDerWaalsContact O-N 3.08Å; K305-H308 PolarHBondContact O-N 3.41Å; H308-K311 PolarHBondContact O-N 2.86Å; H308-L312 WeakPolarHBondContact ND1-CD1 3.21Å; H308-L312 WeakPolarHBondContact O-CG 3.33Å; H308-L312 PolarHBondContact O-N 3.4Å
309L43Very low42.9Very low103 Ų103123.6 Ų123.654%0.53958%0.582SS.*Hα-helixtrans-68.5-41.2179-170.461.7000112.4K305 I307 K311 L312 N313K305-L309 WeakPolarHBondContact O-CB 3.41Å; K305-L309 PolarHBondContact O-N 3.04Å; I307-L309 VanDerWaalsContact C-N 3.35Å; I307-L309 PolarHBondContact O-N 2.88Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3.03Å; L309-L312 PolarHBondContact O-N 3.4Å; L309-N313 WeakPolarHBondContact O-CB 3.31Å; L309-N313 PolarHBondContact O-N 2.9Å
310K52.5Low42.7Very low172 Ų172119.2 Ų119.275%0.74857%0.574SS**Hα-helixtrans-61.1-39.3171.6-83.5-167.7172.6-174.30112.1A306 I307 N313 F314A306-K310 PolarHBondContact O-N 3.36Å; I307-K310 PolarHBondContact O-N 3.05Å; K310-N313 PolarHBondContact O-N 2.8Å; K310-F314 WeakPolarHBondContact O-CB 3.35Å; K310-F314 PolarHBondContact O-N 3.28Å
311K49.9Very low42.8Very low140 Ų140117.4 Ų117.461%0.60958%0.58SS**Hα-helixtrans-72.1-36.1178.8-160.2167.7-175.11760112.8I307 H308 L309 F314 L315I307-K311 PolarHBondContact O-N 3.03Å; H308-K311 PolarHBondContact O-N 2.86Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3.03Å; K311-F314 PolarHBondContact O-N 2.81Å; K311-L315 WeakPolarHBondContact O-CG 3.32Å; K311-L315 PolarHBondContact O-N 2.96Å
312L40.8Very low42.8Very low88 Ų88120.3 Ų120.346%0.46159%0.592SS.*Hα-helixtrans-63.2-44.4170.2-79.3173.2000112.1H308 L309 F314 L315 R316H308-L312 WeakPolarHBondContact ND1-CD1 3.21Å; H308-L312 WeakPolarHBondContact O-CG 3.33Å; H308-L312 PolarHBondContact O-N 3.4Å; L309-L312 PolarHBondContact O-N 3.4Å; L312-F314 VanDerWaalsContact C-N 3.35Å; L312-F314 PolarHBondContact O-N 3.3Å; L312-L315 PolarHBondContact O-N 3.41Å; L312-R316 WeakPolarHBondContact O-CB 3.49Å; L312-R316 PolarHBondContact O-N 3.15Å
313N37.3Very low42.6Very low80 Ų80121.2 Ų121.243%0.42860%0.603SS.*Hα-helixtrans-66.8-36178.4-72.7-9.2000112.1L309 K310 R316 S317L309-N313 WeakPolarHBondContact O-CB 3.31Å; L309-N313 PolarHBondContact O-N 2.9Å; K310-N313 PolarHBondContact O-N 2.8Å; N313-R316 PolarHBondContact O-N 3.03Å; N313-S317 WeakPolarHBondContact O-CB 3.14Å; N313-S317 PolarHBondContact O-N 3.07Å
314F43.3Very low42.2Very low140 Ų140120.7 Ų120.761%0.61461%0.606SS**Hα-helixtrans-61.6-47.3171.9-176.2-95.3000112.1K310 K311 L312 S317 Q318K310-F314 WeakPolarHBondContact O-CB 3.35Å; K310-F314 PolarHBondContact O-N 3.28Å; K311-F314 PolarHBondContact O-N 2.81Å; L312-F314 VanDerWaalsContact C-N 3.35Å; L312-F314 PolarHBondContact O-N 3.3Å; F314-S317 PolarHBondContact O-N 3.42Å; F314-Q318 WeakPolarHBondContact O-CB 3.2Å; F314-Q318 PolarHBondContact O-N 2.86Å
315L47.2Very low41.6Very low93 Ų93120.7 Ų120.749%0.48762%0.619SS.*Hα-helixtrans-68.6-33.9177.9-69.8168.8000113K311 L312 K319K311-L315 WeakPolarHBondContact O-CG 3.32Å; K311-L315 PolarHBondContact O-N 2.96Å; L312-L315 PolarHBondContact O-N 3.41Å; L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 PolarHBondContact O-N 3.02Å
316R38.7Very low41Very low179 Ų179121.2 Ų121.268%0.67562%0.624SS**Hα-helixtrans-64.9-46.6172.5-176.9-179.8-76.8168.5-8.1110.8L312 N313 Q318 K319 S320L312-R316 WeakPolarHBondContact O-CB 3.49Å; L312-R316 PolarHBondContact O-N 3.15Å; N313-R316 PolarHBondContact O-N 3.03Å; R316-Q318 VanDerWaalsContact C-N 3.33Å; R316-Q318 PolarHBondContact O-N 3.09Å; R316-K319 PolarHBondContact O-N 3.25Å; R316-S320 PolarHBondContact O-N 2.75Å; R316-S320 PolarHBondContact O-OG 2.83Å
317S41.5Very low40.6Very low84 Ų84124 Ų12459%0.58764%0.638SS**Hα-helixtrans-60-42.4175.6-170.50000112N313 F314 K319 S320N313-S317 WeakPolarHBondContact O-CB 3.14Å; N313-S317 PolarHBondContact O-N 3.07Å; F314-S317 PolarHBondContact O-N 3.42Å; S317-K319 PolarHBondContact O-N 3.37Å; S317-S320 PolarHBondContact O-N 2.71Å
318Q45Very low39.4Very low107 Ų107128.6 Ų128.650%0.565%0.654SS.*Hα-helixtrans-63.4-41.2175.3-170.7165.839.200112.5F314 R316 S320 A321F314-Q318 WeakPolarHBondContact O-CB 3.2Å; F314-Q318 PolarHBondContact O-N 2.86Å; R316-Q318 VanDerWaalsContact C-N 3.33Å; R316-Q318 PolarHBondContact O-N 3.09Å; Q318-S320 VanDerWaalsContact C-N 3.3Å; Q318-S320 PolarHBondContact O-N 3.14Å; Q318-A321 PolarHBondContact O-N 3.16Å
319K37.1Very low38.4Very low173 Ų173134.1 Ų134.175%0.75267%0.669SS**Hα-helixtrans-68-27.6177-169.2173.8-179.1-178.10113.2L315 R316 S317 A321L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 PolarHBondContact O-N 3.02Å; R316-K319 PolarHBondContact O-N 3.25Å; S317-K319 PolarHBondContact O-N 3.37Å; K319-A321 PolarHBondContact O-N 3.3Å
320S37.3Very low37.7Very low91 Ų91136.7 Ų136.764%0.63668%0.684SS**THydrogen-bonded Turntrans-73.5-7.6173.5-68.70000114.2R316 S317 Q318R316-S320 PolarHBondContact O-N 2.75Å; R316-S320 PolarHBondContact O-OG 2.83Å; S317-S320 PolarHBondContact O-N 2.71Å; Q318-S320 VanDerWaalsContact C-N 3.3Å; Q318-S320 PolarHBondContact O-N 3.14Å
321A41.6Very low36.6Very low84 Ų84136.3 Ų136.369%0.69469%0.69SS**THydrogen-bonded Turntrans-99.8-2-179.600000114.5Q318 K319Q318-A321 PolarHBondContact O-N 3.16Å; K319-A321 PolarHBondContact O-N 3.3Å
322E36.1Very low35.6Very low167 Ų167134.6 Ų134.678%0.7870%0.695SS**  trans-121.133.4-176-66.6-172.4132.700113
323Q31.2Very low35.1Very low162 Ų162141.6 Ų141.676%0.75772%0.716SS**PPolyproline II helixtrans-94.3124.7175-161.61670.500110.5
324P33.7Very low34.6Very low103 Ų103143.3 Ų143.367%0.66973%0.729SS**PPolyproline II helixtrans-72.6158.5177.431.4-35.5000111.4E326P324-E326 PolarHBondContact O-N 2.95Å
325P31.6Very low33.9Very low128 Ų128142 Ų14283%0.83173%0.733SS**PPolyproline II helixtrans-70.6121.1179.428.4-33.9000111.9
326E29.2Very low33Very low167 Ų167148.2 Ų148.278%0.7875%0.75SS**PPolyproline II helixtrans-67.8149167.1-77.4-8813100111P324P324-E326 PolarHBondContact O-N 2.95Å
327P32.3Very low32.4Very low109 Ų109145.9 Ų145.971%0.70876%0.755SS**PPolyproline II helixtrans-72.9136.1-179.530.2-34.3000111.7R329P327-R329 PolarHBondContact O-N 3.4Å
328K29.5Very low31.9Very low203 Ų203148.6 Ų148.688%0.88376%0.762SS**PPolyproline II helixtrans-65131.7169.5-65.5-177.5-179.7-178.60109.5
329R27.6Very low31Very low243 Ų243151.6 Ų151.692%0.91778%0.775SS**PPolyproline II helixtrans-87.3127.4160.6-66.3-175.4-178.9-171.30.5108.1P327P327-R329 PolarHBondContact O-N 3.4Å
330D27.5Very low30.6Very low158 Ų158148 Ų14885%0.84577%0.772SS**PPolyproline II helixtrans-73.4149.4161.6-71.1-47.6000109.9
331D29.3Very low30Very low164 Ų164149.1 Ų149.188%0.87778%0.775SS**  trans-125.4155.1161.4-151.8-18.1000109
332S28.6Very low29.4Very low103 Ų103150.9 Ų150.972%0.7277%0.773SS**  trans-105.2170.9-146.5-66.20000116.1
333R31.7Very low28.9Very low236 Ų236150.7 Ų150.789%0.89177%0.772SS**  trans73.8127.1179.2-82.5174.4158.4158.5-5.8114.5
334T26.9Very low28.6Very low116 Ų116147.3 Ų147.371%0.71277%0.766SS**  cis-161.4-177.41.40.70000108.5
335T27.3Very low28.2Very low112 Ų112148.2 Ų148.269%0.68777%0.77SS**  cis-160.3150.126.3-210000113.8
336R28.6Very low28.1Very low224 Ų224149.7 Ų149.785%0.84577%0.767SS**  trans48.4112.8141.7-91.6-178.5-173.7-164.62.2122
337V26.9Very low27.8Very low129 Ų129148.7 Ų148.778%0.78276%0.763SS**  trans55.5140140.8-114.40000117.3
338I30.4Very low27.6Very low142 Ų142150.6 Ų150.673%0.72876%0.764SS**  cis-146.7160.242.8-67.7178.3000112.8
339E26.8Very low27.3Very low169 Ų169146.3 Ų146.379%0.7976%0.755SS**  trans-28.3165159.2-67.2155.9166.600118.7
340S28.3Very low27.2Very low98 Ų98142.4 Ų142.469%0.68575%0.753SS**  cis-177-178.8-17.5620000111.7
341V25.8Very low27.2Very low114 Ų114140.6 Ų140.669%0.69175%0.747SS**  trans77.1112.3144.4161.30000120.8
342N27.5Very low27.1Very low122 Ų122144.6 Ų144.665%0.65275%0.75SS**  trans68.8128.2132.4-65.645.2000120.4
343E25.4Very low27Very low163 Ų163145.3 Ų145.376%0.76275%0.749SS**  82.913376.2-164.3176.2-145.400111.3
344S25.8Very low26.7Very low91 Ų91139.9 Ų139.964%0.63674%0.742SS**  cis178.3178.4-9.2-91.50000106.3
345T25.4Very low26.7Very low121 Ų121142.2 Ų142.274%0.74275%0.745SS**  trans65.1126.5151.838.90000122
346M28.5Very low26.6Very low159 Ų159144.4 Ų144.478%0.78375%0.748SS**  trans74.1149.2134.5-73.5175.1155.300120.4
347E23.9Very low26.6Very low147 Ų147140.1 Ų140.169%0.68774%0.735SS**  cis-163.3175.8-29.5-142.7179.1169.300110.3
348M27.2Very low26.5Very low149 Ų149141.2 Ų141.273%0.73473%0.732SS**  trans59.9105.9150.4-92.4-172.2158.100121.3
349T23.3Very low26.4Very low112 Ų112140.8 Ų140.869%0.68774%0.736SS**  48.7124.4124.259.90000120.9
350N25.3Very low26.4Very low162 Ų162141 Ų14187%0.86674%0.737SS**  -152.2159.4107.5-119.7-59.4000113.5
351V28.2Very low26.2Very low119 Ų119143.7 Ų143.772%0.72174%0.744SS**  trans-108.7140.8178.1173.10000109.4
352R27.5Very low26.3Very low249 Ų249145 Ų14594%0.9475%0.746SS**  trans-150.8147.2152.8-109.5167.7-162.9-163.12111.1
353V26.6Very low26.1Very low118 Ų118144.8 Ų144.872%0.71575%0.749SS**  trans-130.8132.6-179.2173.60000107.8
354T25.9Very low26Very low121 Ų121142.8 Ų142.874%0.74274%0.744SS**  trans179.2113.4155.834.30000104.5
355E26Very low26.1Very low166 Ų166144.5 Ų144.578%0.77676%0.755SS**  88.8138.563-77.9-178.1151.900113.3
356E26.2Very low26.3Very low157 Ų157146.6 Ų146.673%0.73476%0.757SS**  trans69148.4172.4-53.1-147.5156.400117.4
357K28Very low26.1Very low134 Ų134146.7 Ų146.758%0.58376%0.761SS**  cis-160.2146.8-11.2-120.8-174.4179.192.70111.3
358E25.2Very low26.2Very low152 Ų152147.3 Ų147.371%0.7176%0.761SS**  trans42.6168.8135.7-67.4171.3150.600124
359T26.9Very low26.2Very low133 Ų133147.7 Ų147.782%0.81676%0.761SS**  trans73.4118.9-177.964.50000115
360E28Very low26.3Very low173 Ų173151.5 Ų151.581%0.80877%0.771SS**  cis62101.245.4-56.3-83.1151.400112.4
361D23.5Very low26.3Very low155 Ų155149.9 Ų149.983%0.82977%0.767SS**  -164.2173.2106.1-132.3-38000113.6
362L27.1Very low26.3Very low142 Ų142150.5 Ų150.574%0.74377%0.771SS**  trans-98169.7-162-82.5156.3000116.2
363V25.3Very low26.4Very low117 Ų117147.7 Ų147.771%0.70977%0.768SS**  trans90.2121.3140.5150.90000121.2
364N23.3Very low26.6Very low122 Ų122149.6 Ų149.665%0.65277%0.773SS**  trans42.5134.2147.7-56.27.7000122.7
365S27.6Very low26.8Very low126 Ų126151.6 Ų151.688%0.88177%0.774SS**  -144.9123.7109.8-77.80000110.7
366E28.5Very low26.9Very low166 Ų166153.1 Ų153.178%0.77677%0.773SS**  trans-89.8142.9167.9-62.2177.9126.300109.6
367N25.2Very low27Very low161 Ų161151.3 Ų151.386%0.86178%0.778SS**  trans172.8155.1150.3-92-41.9000108.6
368F25.7Very low27.3Very low159 Ų159153.6 Ų153.670%0.69779%0.79SS**  cis-164.2152.5-40-169-107000104.8
369E27.4Very low27.5Very low158 Ų158149.5 Ų149.574%0.73879%0.789SS**  trans-4.2135.1174.1-60.8178174.900120.4
370Q25.2Very low27.9Very low191 Ų191149.6 Ų149.689%0.89379%0.791SS**  -153.9144.4102.6-161.7156.524.500112.5
371T24.4Very low28.4Very low128 Ų128149.5 Ų149.579%0.78580%0.796SS**  trans-91.5140.117841.50000112.8
372V29.2Very low29.2Very low133 Ų133150.7 Ų150.781%0.80680%0.796SS**  trans-141.2120.5155-178.90000108.1I374V372-I374 HydrophobicContact CG1-CG1 4.43Å
373E28.9Very low29.9Very low189 Ų189152.3 Ų152.388%0.88380%0.8SS**  trans-87.4126.9171-63-178.5145.700110.1
374I30.7Very low30.5Very low159 Ų159154.6 Ų154.682%0.81580%0.803SS**  trans-137.9131.5155.7-61.5-175.4000107.3V372V372-I374 HydrophobicContact CG1-CG1 4.43Å
375E30.3Very low31.1Very low163 Ų163151 Ų15176%0.76280%0.795SS**  trans-78.1156.2-173.2-48.1-173.8113.600114.4
376R29.2Very low31.7Very low198 Ų198152.2 Ų152.275%0.74779%0.787SS**  trans72.4109.5136.6-147.4176-156.5135.24.1119.8
377S27.6Very low32.4Very low119 Ų119148.1 Ų148.183%0.83278%0.777SS**  -156.914011140.70000111.1
378E33.3Very low33.3Very low182 Ų182146.8 Ų146.885%0.8577%0.765SS**  trans-93.5142.1-178-65.1168.7112.200110.8
379G29.1Very low34.2Very low66 Ų66144 Ų14468%0.6876%0.761SS**  trans-140.6135.5175.200000111
380P35.9Very low35.2Very low134 Ų134142.6 Ų142.687%0.8776%0.758SS**  trans-85.9123.4-166-8.627.2000113.6
381L38.5Very low36.5Very low172 Ų172140.6 Ų140.690%0.90175%0.749SS**  trans-133.752.8174.6-77.9175.6000112.8
382E40.5Very low37.7Very low180 Ų180138 Ų13884%0.84174%0.736SS**  trans-122.945.6-178.7-66.1-155.4134.100114.8
383Q41.8Very low39Very low176 Ų176136.9 Ų136.982%0.82272%0.722SS**SBendtrans-123.1-13.8173.5-75.8-167.1-1400116.8
384E37.3Very low40.4Very low164 Ų164135 Ų13577%0.76671%0.706SS**SBendtrans-86.9-30.8-177.8-60.4-158.1125.300114.4Q386 S387E384-Q386 VanDerWaalsContact C-N 3.26Å; E384-Q386 PolarHBondContact O-N 2.85Å; E384-Q386 VanDerWaalsContact O-N 3.16Å; E384-S387 PolarHBondContact O-N 2.95Å
385G37.2Very low42.2Very low47 Ų47134.2 Ų134.249%0.48570%0.699SS.*Hα-helixtrans-63.3-23.8-175.200000115.4T389G385-T389 PolarHBondContact O-N 2.98Å; G385-T389 PolarHBondContact O-OG1 3.26Å
386Q39.6Very low44.5Very low151 Ų151130.4 Ų130.471%0.70668%0.679SS**Hα-helixtrans-73.4-28.5-179.7-60.2-169.515.400112.7E384E384-Q386 VanDerWaalsContact C-N 3.26Å; E384-Q386 PolarHBondContact O-N 2.85Å; E384-Q386 VanDerWaalsContact O-N 3.16Å
387S42.7Very low47.1Very low81 Ų81123.7 Ų123.757%0.56667%0.665SS**Hα-helixtrans-72.5-44.5178.1-680000112.2E384 T389 L390 Q391E384-S387 PolarHBondContact O-N 2.95Å; S387-T389 PolarHBondContact O-N 3.35Å; S387-L390 PolarHBondContact O-N 3.35Å; S387-Q391 PolarHBondContact O-N 2.97Å
388Q45.4Very low49.9Very low133 Ų133118 Ų11862%0.62163%0.626SS**Hα-helixtrans-65.3-39.1179.8-62.8179-1.400111.5L390 Q391 S392Q388-L390 PolarHBondContact O-N 2.83Å; Q388-Q391 PolarHBondContact O-N 3.35Å; Q388-S392 PolarHBondContact O-N 3.24Å
389T44.8Very low52.2Low99 Ų99116.1 Ų116.161%0.60762%0.617SS**Hα-helixtrans-63.6-24.3178.2-54.40000113.2G385 S387 S392G385-T389 PolarHBondContact O-N 2.98Å; G385-T389 PolarHBondContact O-OG1 3.26Å; S387-T389 PolarHBondContact O-N 3.35Å; T389-S392 PolarHBondContact O-OG 3.29Å
390L48.6Very low54.7Low130 Ų130118.4 Ų118.468%0.68161%0.613SS**Hα-helixtrans-85.3-18.2174.3-72.8174.1000113.9S387 Q388S387-L390 PolarHBondContact O-N 3.35Å; Q388-L390 PolarHBondContact O-N 2.83Å
391Q50.5Low57.1Low148 Ų148114.4 Ų114.469%0.69259%0.587SS**Hα-helixtrans-80.8-39.2175-71.8176.6-34.700111.7S387 Q388 Q393 R394S387-Q391 PolarHBondContact O-N 2.97Å; Q388-Q391 PolarHBondContact O-N 3.35Å; Q391-Q393 PolarHBondContact O-N 3.05Å; Q391-R394 PolarHBondContact O-N 2.82Å; Q391-R394 VanDerWaalsContact O-N 3.09Å
392S50.9Low59.2Low74 Ų74109 Ų10952%0.51757%0.574SS.*THydrogen-bonded Turntrans-60.9-16.9-17968.50000114.7Q388 T389 Q395Q388-S392 PolarHBondContact O-N 3.24Å; T389-S392 PolarHBondContact O-OG 3.29Å; S392-Q395 VanDerWaalsContact O-CG 3.26Å; S392-Q395 WeakPolarHBondContact O-CG 3.5Å; S392-Q395 PolarHBondContact O-NE2 3.24Å; S392-Q395 VanDerWaalsContact O-NE2 3.14Å
393Q55.8Low61.2Low109 Ų109106 Ų10651%0.50956%0.558SS.*THydrogen-bonded Turntrans-90.99.8177.2-145.9-169.24900114.8Q391Q391-Q393 PolarHBondContact O-N 3.05Å
394R59Low63.3Low149 Ų14999.8 Ų99.856%0.56254%0.536SS*.  trans-120.951.3177.1-56.8-168.4-168.7-174.95.3112.8Q391 Y396 A404 F405Q391-R394 PolarHBondContact O-N 2.82Å; Q391-R394 VanDerWaalsContact O-N 3.09Å; R394-Y396 PolarHBondContact O-N 3.1Å; R394-Y396 VanDerWaalsContact O-N 3.1Å; R394-A404 HydrophobicContact CB-CB 3.83Å; R394-F405 CarbonylContact C-O 3.59Å
395Q67.3Low65.7Low143 Ų14394.3 Ų94.367%0.66851%0.51SS*.  trans-65.6-14.1-168-62.8168.5-6.600115.3S392S392-Q395 VanDerWaalsContact O-CG 3.26Å; S392-Q395 WeakPolarHBondContact O-CG 3.5Å; S392-Q395 PolarHBondContact O-NE2 3.24Å; S392-Q395 VanDerWaalsContact O-NE2 3.14Å
396Y78.7Confident67.9Low84 Ų8497.5 Ų97.533%0.32951%0.511SS..EExtended strand (participates in β ladder)trans-111.585.3-170.6-59.8-82.5000111.2R394 F405 P408R394-Y396 PolarHBondContact O-N 3.1Å; R394-Y396 VanDerWaalsContact O-N 3.1Å; Y396-F405 PolarHBondContact N-O 3.37Å; Y396-F405 WeakPolarHBondContact O-CD2 3.48Å; Y396-F405 PolarHBondContact O-N 3.03Å; Y396-P408 HydrophobicContact CD1-CB 3.73Å; Y396-P408 HydrophobicContact CD1-CG 4.41Å; Y396-P408 HydrophobicContact CE1-CB 3.76Å; Y396-P408 HydrophobicContact CE1-CG 4.05Å; Y396-P408 HydrophobicContact CG-CB 4.29Å
397A84.2Confident70Confident56 Ų5695.3 Ų95.346%0.46350%0.5SS..EExtended strand (participates in β ladder)trans-81.3148.2176.300000112.7K403 L411A397-K403 CarbonylContact C-O 3.36Å; A397-K403 WeakPolarHBondContact CA-O 3.19Å; A397-L411 WeakPolarHBondContact O-CD2 3.38Å
398C86.5Confident72Confident1 Ų194.7 Ų94.71%0.00749%0.494CS..  trans-95.3112.9173.9-175.80000110.9L400 C401 G402 K403 F405 L411C398-L400 PolarHBondContact O-N 3.29Å; C398-L400 VanDerWaalsContact O-N 3.1Å; C398-C401 PolarHBondContact O-N 2.99Å; C398-C401 VanDerWaalsContact O-N 3.11Å; C398-G402 WeakPolarHBondContact O-CA 3.39Å; C398-G402 PolarHBondContact O-N 3.5Å; C398-K403 PolarHBondContact N-O 3.14Å; C398-F405 HydrophobicContact CB-CE2 4.33Å; C398-L411 VanDerWaalsContact CA-CD1 3.5Å; C398-L411 HydrophobicContact CB-CD1 3.45Å; C398-L411 VanDerWaalsContact CB-CD1 3.45Å
399E82.6Confident73.7Confident142 Ų14292 Ų9266%0.66449%0.49SS*.THydrogen-bonded Turntrans-52.6-36.3-179.5-51.694.2-82.800112.5C401 K415E399-C401 VanDerWaalsContact C-N 3.32Å; E399-C401 PolarHBondContact O-N 3.35Å; E399-K415 WeakPolarHBondContact OE1-CE 3.4Å; E399-K415 IonicContact OE1-NZ 2.59Å; E399-K415 PolarHBondContact OE1-NZ 3.2Å; E399-K415 IonicContact OE2-NZ 2.62Å; E399-K415 PolarHBondContact OE2-NZ 3.25Å
400L81.9Confident75.6Confident114 Ų11490.8 Ų90.860%0.59748%0.48SS*.THydrogen-bonded Turntrans-75.5-10.8-175.1-59.4177.5000114.9C398 H418C398-L400 PolarHBondContact O-N 3.29Å; C398-L400 VanDerWaalsContact O-N 3.1Å; L400-H418 HydrophobicContact CD1-CB 3.59Å
401C85.3Confident77.4Confident49 Ų4985.5 Ų85.533%0.33145%0.452SS..THydrogen-bonded Turntrans-16114.2178.770.70000116.7C398 E399 K403 H414 H418C398-C401 PolarHBondContact O-N 2.99Å; C398-C401 VanDerWaalsContact O-N 3.11Å; E399-C401 VanDerWaalsContact C-N 3.32Å; E399-C401 PolarHBondContact O-N 3.35Å; C401-K403 PolarHBondContact O-N 2.99Å; C401-H414 PolarHBondContact SG-NE2 3.34Å; C401-H418 PolarHBondContact SG-NE2 2.81Å
402G81.6Confident78.9Confident60 Ų6082.1 Ų82.162%0.61944%0.436SS*.  trans68.4-0.6177.200000116.5C398 A404C398-G402 WeakPolarHBondContact O-CA 3.39Å; C398-G402 PolarHBondContact O-N 3.5Å; G402-A404 PolarHBondContact O-N 3.23Å
403K84.3Confident80.5Confident117 Ų11781 Ų8151%0.50943%0.425SS..  trans-71.2123.4-176-70.5174.3-170.2162.10111.4A397 C398 C401 F405A397-K403 CarbonylContact C-O 3.36Å; A397-K403 WeakPolarHBondContact CA-O 3.19Å; C398-K403 PolarHBondContact N-O 3.14Å; C401-K403 PolarHBondContact O-N 2.99Å; K403-F405 HydrophobicContact CB-CE2 3.7Å; K403-F405 HydrophobicContact CB-CZ 4Å; K403-F405 VanDerWaalsContact O-CD2 3.27Å; K403-F405 WeakPolarHBondContact O-CD2 3.21Å; K403-F405 WeakPolarHBondContact O-CE2 3.11Å
404A85.2Confident81.9Confident44 Ų4477.1 Ų77.136%0.36441%0.406SS..EExtended strand (participates in β ladder)trans-98.6127.5-177.500000112.7R394 G402R394-A404 HydrophobicContact CB-CB 3.83Å; G402-A404 PolarHBondContact O-N 3.23Å
405F86.8Confident83.1Confident50 Ų5072.8 Ų72.822%0.21939%0.392CS..EExtended strand (participates in β ladder)trans-114.1154.3-175.6-62-91.6000111.6R394 Y396 C398 K403 N410 L411 H414R394-F405 CarbonylContact C-O 3.59Å; Y396-F405 PolarHBondContact N-O 3.37Å; Y396-F405 WeakPolarHBondContact O-CD2 3.48Å; Y396-F405 PolarHBondContact O-N 3.03Å; C398-F405 HydrophobicContact CB-CE2 4.33Å; K403-F405 HydrophobicContact CB-CE2 3.7Å; K403-F405 HydrophobicContact CB-CZ 4Å; K403-F405 VanDerWaalsContact O-CD2 3.27Å; K403-F405 WeakPolarHBondContact O-CD2 3.21Å; K403-F405 WeakPolarHBondContact O-CE2 3.11Å; F405-N410 HydrophobicContact CB-CB 4.34Å; F405-N410 HydrophobicContact CD1-CB 4.02Å; F405-N410 HydrophobicContact CG-CB 4.47Å; F405-L411 HydrophobicContact CB-CB 4.31Å; F405-L411 HydrophobicContact CD2-CB 4.06Å; F405-L411 HydrophobicContact CD2-CD1 4.03Å; F405-L411 HydrophobicContact CE2-CD1 4.28Å; F405-L411 HydrophobicContact CG-CB 4.34Å; F405-H414 HydrophobicContact CE1-CB 4.11Å; F405-H414 HydrophobicContact CE2-CB 3.98Å; F405-H414 AromaticContact CE2-CD2 3.36Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.23Å; F405-H414 AromaticContact CE2-CG 3.85Å; F405-H414 HydrophobicContact CZ-CB 3.56Å; F405-H414 AromaticContact CZ-CD2 3.34Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.34Å; F405-H414 AromaticContact CZ-CG 3.42Å; F405-H414 VanDerWaalsContact CZ-CG 3.42Å
406K84.5Confident84Confident113 Ų11368.9 Ų68.949%0.49137%0.371SS..SBendtrans-78.5-19.1178.1-60.3-157.2176.9-1670114.5
407H83.9Confident84.2Confident105 Ų10568.7 Ų68.749%0.48638%0.381SS..SBendtrans-142145-175.9-58.8-56.3000110.8S409 N410 L411H407-S409 VanDerWaalsContact C-N 3.29Å; H407-S409 PolarHBondContact O-N 3.28Å; H407-N410 PolarHBondContact O-N 3.05Å; H407-N410 VanDerWaalsContact O-N 3.15Å; H407-L411 PolarHBondContact O-N 2.61Å
408P83.6Confident84.1Confident68 Ų6869.7 Ų69.744%0.44238%0.376SS..Hα-helixtrans-64.9-32.8-17925-32.6000112.2Y396 N410 L411 E412Y396-P408 HydrophobicContact CD1-CB 3.73Å; Y396-P408 HydrophobicContact CD1-CG 4.41Å; Y396-P408 HydrophobicContact CE1-CB 3.76Å; Y396-P408 HydrophobicContact CE1-CG 4.05Å; Y396-P408 HydrophobicContact CG-CB 4.29Å; P408-N410 VanDerWaalsContact C-N 3.27Å; P408-N410 PolarHBondContact O-N 2.95Å; P408-L411 WeakPolarHBondContact O-CB 3.32Å; P408-L411 PolarHBondContact O-N 3.29Å; P408-E412 VanDerWaalsContact O-CB 3.31Å; P408-E412 WeakPolarHBondContact O-CB 3.47Å; P408-E412 PolarHBondContact O-N 3.03Å
409S82.9Confident83.9Confident77 Ų7773.6 Ų73.654%0.53840%0.4SS..Hα-helixtrans-61-3317551.80000113.6H407 L413H407-S409 VanDerWaalsContact C-N 3.29Å; H407-S409 PolarHBondContact O-N 3.28Å; S409-L413 VanDerWaalsContact O-CB 3.27Å; S409-L413 WeakPolarHBondContact O-CB 3.37Å; S409-L413 PolarHBondContact O-N 2.89Å
410N84.1Confident83.9Confident73 Ų7368.5 Ų68.539%0.3939%0.386SS..Hα-helixtrans-78.6-34.2175.8-71.4-28.3000112F405 H407 P408 H414F405-N410 HydrophobicContact CB-CB 4.34Å; F405-N410 HydrophobicContact CD1-CB 4.02Å; F405-N410 HydrophobicContact CG-CB 4.47Å; H407-N410 PolarHBondContact O-N 3.05Å; H407-N410 VanDerWaalsContact O-N 3.15Å; P408-N410 VanDerWaalsContact C-N 3.27Å; P408-N410 PolarHBondContact O-N 2.95Å; N410-H414 WeakPolarHBondContact O-CB 3.1Å; N410-H414 PolarHBondContact O-N 3.33Å; N410-H414 VanDerWaalsContact O-N 3.07Å
411L86.1Confident83.8Confident20 Ų2067.5 Ų67.511%0.10538%0.378CS..Hα-helixtrans-64.2-47.4170.1168.560.5000110.9A397 C398 F405 H407 P408 H414 K415A397-L411 WeakPolarHBondContact O-CD2 3.38Å; C398-L411 VanDerWaalsContact CA-CD1 3.5Å; C398-L411 HydrophobicContact CB-CD1 3.45Å; C398-L411 VanDerWaalsContact CB-CD1 3.45Å; F405-L411 HydrophobicContact CB-CB 4.31Å; F405-L411 HydrophobicContact CD2-CB 4.06Å; F405-L411 HydrophobicContact CD2-CD1 4.03Å; F405-L411 HydrophobicContact CE2-CD1 4.28Å; F405-L411 HydrophobicContact CG-CB 4.34Å; H407-L411 PolarHBondContact O-N 2.61Å; P408-L411 WeakPolarHBondContact O-CB 3.32Å; P408-L411 PolarHBondContact O-N 3.29Å; L411-H414 CarbonylContact O-C 3.57Å; L411-H414 WeakPolarHBondContact O-CA 3.47Å; L411-H414 WeakPolarHBondContact O-CB 3.48Å; L411-H414 PolarHBondContact O-N 3.14Å; L411-K415 HydrophobicContact CD1-CG 4.21Å; L411-K415 PolarHBondContact O-N 3.14Å
412E82.3Confident83.9Confident76 Ų7670.3 Ų70.336%0.35539%0.385SS..Hα-helixtrans-59.5-49.1178.2167.250.8-15700111.6P408 H414 K415 R416P408-E412 VanDerWaalsContact O-CB 3.31Å; P408-E412 WeakPolarHBondContact O-CB 3.47Å; P408-E412 PolarHBondContact O-N 3.03Å; E412-H414 PolarHBondContact O-N 3.05Å; E412-K415 PolarHBondContact O-N 3.13Å; E412-R416 PolarHBondContact O-N 3.36Å; E412-R416 VanDerWaalsContact O-N 3.14Å; E412-R416 IonicContact OE1-CZ 2.72Å; E412-R416 IonicContact OE1-NE 2.71Å; E412-R416 PolarHBondContact OE1-NE 3.1Å; E412-R416 IonicContact OE1-NH2 2.75Å; E412-R416 PolarHBondContact OE1-NH2 3.12Å
413L84.4Confident84.1Confident52 Ų5271.1 Ų71.127%0.27238%0.379SS..Hα-helixtrans-58-29.8172175.456.9000112.9S409 Q435S409-L413 VanDerWaalsContact O-CB 3.27Å; S409-L413 WeakPolarHBondContact O-CB 3.37Å; S409-L413 PolarHBondContact O-N 2.89Å; L413-Q435 HydrophobicContact CD1-CG 3.4Å; L413-Q435 VanDerWaalsContact CD1-CG 3.4Å; L413-Q435 HydrophobicContact CD2-CG 4.13Å; L413-Q435 HydrophobicContact CG-CG 4.41Å
414H85.1Confident84.2Confident27 Ų2768.8 Ų68.813%0.12537%0.369CS..Hα-helixtrans-79.6-35.3173.2-18048.6000113.3C401 F405 N410 L411 E412 R416 S417 H418C401-H414 PolarHBondContact SG-NE2 3.34Å; F405-H414 HydrophobicContact CE1-CB 4.11Å; F405-H414 HydrophobicContact CE2-CB 3.98Å; F405-H414 AromaticContact CE2-CD2 3.36Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.23Å; F405-H414 AromaticContact CE2-CG 3.85Å; F405-H414 HydrophobicContact CZ-CB 3.56Å; F405-H414 AromaticContact CZ-CD2 3.34Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.34Å; F405-H414 AromaticContact CZ-CG 3.42Å; F405-H414 VanDerWaalsContact CZ-CG 3.42Å; N410-H414 WeakPolarHBondContact O-CB 3.1Å; N410-H414 PolarHBondContact O-N 3.33Å; N410-H414 VanDerWaalsContact O-N 3.07Å; L411-H414 CarbonylContact O-C 3.57Å; L411-H414 WeakPolarHBondContact O-CA 3.47Å; L411-H414 WeakPolarHBondContact O-CB 3.48Å; L411-H414 PolarHBondContact O-N 3.14Å; E412-H414 PolarHBondContact O-N 3.05Å; H414-R416 VanDerWaalsContact C-N 3.25Å; H414-R416 PolarHBondContact O-N 2.84Å; H414-S417 PolarHBondContact CE1-OG 2.62Å; H414-S417 PolarHBondContact ND1-OG 3.31Å; H414-S417 WeakPolarHBondContact O-CA 3.26Å; H414-S417 WeakPolarHBondContact O-CB 3.48Å; H414-S417 PolarHBondContact O-N 3Å; H414-S417 PolarHBondContact O-OG 2.76Å; H414-H418 AromaticContact CD2-NE2 3.82Å; H414-H418 AromaticContact CE1-CE1 3.85Å; H414-H418 AromaticContact CE1-NE2 3.27Å; H414-H418 PolarHBondContact CE1-NE2 3.35Å; H414-H418 VanDerWaalsContact CE1-NE2 3.27Å; H414-H418 AromaticContact NE2-CD2 3.95Å; H414-H418 AromaticContact NE2-CE1 3.86Å; H414-H418 AromaticContact NE2-NE2 3.03Å; H414-H418 PolarHBondContact NE2-NE2 3.11Å
415K84.1Confident84.4Confident58 Ų5870.9 Ų70.925%0.25237%0.372SS..Hα-helixtrans-57-40.7172.9-73.9-165.1174.9-164.70111E399 L411 E412 S417 H418 T419E399-K415 WeakPolarHBondContact OE1-CE 3.4Å; E399-K415 IonicContact OE1-NZ 2.59Å; E399-K415 PolarHBondContact OE1-NZ 3.2Å; E399-K415 IonicContact OE2-NZ 2.62Å; E399-K415 PolarHBondContact OE2-NZ 3.25Å; L411-K415 HydrophobicContact CD1-CG 4.21Å; L411-K415 PolarHBondContact O-N 3.14Å; E412-K415 PolarHBondContact O-N 3.13Å; K415-S417 PolarHBondContact O-N 2.84Å; K415-S417 VanDerWaalsContact O-N 3.12Å; K415-H418 WeakPolarHBondContact O-CB 3.48Å; K415-H418 PolarHBondContact O-N 2.89Å; K415-T419 PolarHBondContact O-N 3.03Å
416R85.4Confident84.6Confident61 Ų6168.6 Ų68.623%0.2336%0.361CS..Hα-helixtrans-59.4-20.7171.7-62.3176.7-164.2-172.7-2.4115E412 H414 H418 T419 G420 E421E412-R416 PolarHBondContact O-N 3.36Å; E412-R416 VanDerWaalsContact O-N 3.14Å; E412-R416 IonicContact OE1-CZ 2.72Å; E412-R416 IonicContact OE1-NE 2.71Å; E412-R416 PolarHBondContact OE1-NE 3.1Å; E412-R416 IonicContact OE1-NH2 2.75Å; E412-R416 PolarHBondContact OE1-NH2 3.12Å; H414-R416 VanDerWaalsContact C-N 3.25Å; H414-R416 PolarHBondContact O-N 2.84Å; R416-H418 VanDerWaalsContact C-N 3.34Å; R416-T419 WeakPolarHBondContact CA-OG1 3.43Å; R416-G420 CarbonylContact O-C 3.41Å; R416-G420 WeakPolarHBondContact O-CA 3.34Å; R416-G420 PolarHBondContact O-N 3.27Å; R416-E421 HydrophobicContact CB-CB 4.25Å; R416-E421 HydrophobicContact CG-CB 4.12Å; R416-E421 PolarHBondContact O-N 3.14Å
417S83.5Confident84.7Confident79 Ų7970.5 Ų70.555%0.55238%0.377SS*.Hα-helixtrans-80-15.1173.473.50000113.8H414 K415H414-S417 PolarHBondContact CE1-OG 2.62Å; H414-S417 PolarHBondContact ND1-OG 3.31Å; H414-S417 WeakPolarHBondContact O-CA 3.26Å; H414-S417 WeakPolarHBondContact O-CB 3.48Å; H414-S417 PolarHBondContact O-N 3Å; H414-S417 PolarHBondContact O-OG 2.76Å; K415-S417 PolarHBondContact O-N 2.84Å; K415-S417 VanDerWaalsContact O-N 3.12Å
418H82.9Confident84.9Confident77 Ų7770.8 Ų70.836%0.35638%0.381SS..Hα-helixtrans-94.5-46.3170.8-58.9-71.5000111.6L400 C401 H414 K415 R416 G420L400-H418 HydrophobicContact CD1-CB 3.59Å; C401-H418 PolarHBondContact SG-NE2 2.81Å; H414-H418 AromaticContact CD2-NE2 3.82Å; H414-H418 AromaticContact CE1-CE1 3.85Å; H414-H418 AromaticContact CE1-NE2 3.27Å; H414-H418 PolarHBondContact CE1-NE2 3.35Å; H414-H418 VanDerWaalsContact CE1-NE2 3.27Å; H414-H418 AromaticContact NE2-CD2 3.95Å; H414-H418 AromaticContact NE2-CE1 3.86Å; H414-H418 AromaticContact NE2-NE2 3.03Å; H414-H418 PolarHBondContact NE2-NE2 3.11Å; K415-H418 WeakPolarHBondContact O-CB 3.48Å; K415-H418 PolarHBondContact O-N 2.89Å; R416-H418 VanDerWaalsContact C-N 3.34Å; H418-G420 PolarHBondContact O-N 3.5Å
419T81.6Confident85Confident83 Ų8369.9 Ų69.951%0.50938%0.376SS..Hα-helixtrans-72-17.8177.762.90000113K415 R416 E421K415-T419 PolarHBondContact O-N 3.03Å; R416-T419 WeakPolarHBondContact CA-OG1 3.43Å; T419-E421 WeakPolarHBondContact CB-OE1 3.37Å; T419-E421 PolarHBondContact O-N 3.4Å; T419-E421 VanDerWaalsContact OG1-CD 3.26Å; T419-E421 WeakPolarHBondContact OG1-CG 3.06Å; T419-E421 PolarHBondContact OG1-OE1 2.92Å
420G82.6Confident85.2Confident35 Ų3568.1 Ų68.136%0.36137%0.37SS..  trans79.41.6179.200000114.7R416 H418 K422R416-G420 CarbonylContact O-C 3.41Å; R416-G420 WeakPolarHBondContact O-CA 3.34Å; R416-G420 PolarHBondContact O-N 3.27Å; H418-G420 PolarHBondContact O-N 3.5Å; G420-K422 WeakPolarHBondContact O-CE 3.34Å; G420-K422 WeakPolarHBondContact O-CG 3.32Å; G420-K422 PolarHBondContact O-NZ 3.26Å
421E80.6Confident85.3Confident94 Ų9470.1 Ų70.144%0.43938%0.375SS..  trans-55.4132.6-178.9-78.3166.4-115.700113.4R416 T419R416-E421 HydrophobicContact CB-CB 4.25Å; R416-E421 HydrophobicContact CG-CB 4.12Å; R416-E421 PolarHBondContact O-N 3.14Å; T419-E421 WeakPolarHBondContact CB-OE1 3.37Å; T419-E421 PolarHBondContact O-N 3.4Å; T419-E421 VanDerWaalsContact OG1-CD 3.26Å; T419-E421 WeakPolarHBondContact OG1-CG 3.06Å; T419-E421 PolarHBondContact OG1-OE1 2.92Å
422K85.8Confident85.4Confident108 Ų10873.8 Ų73.847%0.4739%0.391SS..  trans-137.975-177.8-70.3156.4-167.2136.30110.7G420 F424 H432 F433G420-K422 WeakPolarHBondContact O-CE 3.34Å; G420-K422 WeakPolarHBondContact O-CG 3.32Å; G420-K422 PolarHBondContact O-NZ 3.26Å; K422-F424 PolarHBondContact O-N 3.02Å; K422-H432 HydrophobicContact CB-CB 3.65Å; K422-H432 HydrophobicContact CD-CB 4.29Å; K422-H432 PolarHBondContact O-CD2 3.19Å; K422-F433 CarbonylContact C-O 3.36Å; K422-F433 WeakPolarHBondContact CA-O 3.29Å
423P86.3Confident85.6Confident77 Ų7772.3 Ų72.350%0.538%0.384SS..  trans-66.7-6.3-171.2-22.535.3000116
424F86.8Confident85.7Confident68 Ų6871.6 Ų71.630%0.29838%0.383SS..EExtended strand (participates in β ladder)trans-111.394.3-172.7-57.4-78.7000111.1K422 H432 F433 Q435 A436 L439K422-F424 PolarHBondContact O-N 3.02Å; F424-H432 CarbonylContact O-C 3.55Å; F424-F433 HydrophobicContact CB-CB 4.28Å; F424-F433 WeakPolarHBondContact CB-O 3.42Å; F424-F433 WeakPolarHBondContact CD2-O 3.42Å; F424-F433 PolarHBondContact N-O 3.38Å; F424-F433 PolarHBondContact O-N 3.19Å; F424-Q435 VanDerWaalsContact CD2-C 3.41Å; F424-A436 HydrophobicContact CD1-CB 3.99Å; F424-A436 HydrophobicContact CE1-CB 3.77Å; F424-A436 HydrophobicContact CG-CB 4.48Å; F424-A436 HydrophobicContact CZ-CB 4.07Å; F424-L439 HydrophobicContact CB-CB 4.14Å; F424-L439 HydrophobicContact CB-CD2 3.91Å
425E89.6Confident85.8Confident88 Ų8873.8 Ų73.841%0.41139%0.394SS..EExtended strand (participates in β ladder)trans-78.6148.4176.4-177.7167-147.800113.1G430 H432 L439E425-G430 VanDerWaalsContact OE1-CA 3.32Å; E425-G430 WeakPolarHBondContact OE1-CA 3.45Å; E425-H432 IonicContact OE1-CE1 2.64Å; E425-H432 PolarHBondContact OE1-CE1 3.39Å; E425-H432 IonicContact OE1-ND1 2.73Å; E425-H432 IonicContact OE2-CE1 3.53Å; E425-L439 WeakPolarHBondContact O-CD1 3.3Å; E425-L439 VanDerWaalsContact O-CD2 3.22Å; E425-L439 WeakPolarHBondContact O-CD2 3.34Å
426C90.6Very high85.8Confident1 Ų173.3 Ų73.31%0.00740%0.4CS..EExtended strand (participates in β ladder)trans-98102.6166.1-178.90000111.5I428 C429 G430 K431 F433 L439 H442 H446C426-I428 PolarHBondContact O-N 3.05Å; C426-C429 PolarHBondContact O-N 3.19Å; C426-G430 PolarHBondContact O-N 3.06Å; C426-K431 WeakPolarHBondContact CB-O 3.27Å; C426-K431 PolarHBondContact N-O 3.06Å; C426-F433 HydrophobicContact CB-CE2 4.35Å; C426-L439 HydrophobicContact CB-CD1 3.56Å; C426-H442 VanDerWaalsContact SG-CD2 3.51Å; C426-H442 PolarHBondContact SG-NE2 3.41Å; C426-H442 VanDerWaalsContact SG-NE2 3.4Å; C426-H446 PolarHBondContact SG-NE2 3.46Å; C426-H446 VanDerWaalsContact SG-NE2 3.4Å
427N87.3Confident85.8Confident154 Ų15472.4 Ų72.482%0.82441%0.41SS*.THydrogen-bonded Turntrans-54.1-13.7-180-52.214.4000115.1
428I86.9Confident85.9Confident111 Ų11171.8 Ų71.857%0.56940%0.401SS*.THydrogen-bonded Turntrans-91.3-20.2179.7-58172.9000111.9C426 L443 H446C426-I428 PolarHBondContact O-N 3.05Å; I428-L443 HydrophobicContact CD1-CD2 4.16Å; I428-H446 HydrophobicContact CD1-CB 3.68Å; I428-H446 HydrophobicContact CG2-CB 4.21Å
429C86.9Confident86.2Confident48 Ų4869.2 Ų69.232%0.32439%0.389SS..THydrogen-bonded Turntrans-154.718.2-175.269.20000116.6C426 K431 H442 H446C426-C429 PolarHBondContact O-N 3.19Å; C429-K431 PolarHBondContact O-N 3.48Å; C429-K431 VanDerWaalsContact O-N 3.1Å; C429-H442 PolarHBondContact SG-NE2 3.32Å; C429-H446 PolarHBondContact SG-NE2 2.88Å; C429-H446 VanDerWaalsContact SG-NE2 3.41Å
430G85.6Confident86.4Confident40 Ų4070.6 Ų70.641%0.41239%0.39SS..THydrogen-bonded Turntrans66.19.9176.100000115.6E425 C426 H432E425-G430 VanDerWaalsContact OE1-CA 3.32Å; E425-G430 WeakPolarHBondContact OE1-CA 3.45Å; C426-G430 PolarHBondContact O-N 3.06Å; G430-H432 PolarHBondContact O-ND1 3.04Å
431K86.6Confident86.5Confident116 Ų11671.5 Ų71.550%0.50439%0.389SS..EExtended strand (participates in β ladder)trans-88.9119.6-170.9-78.1171.6-174.51700111.1C426 C429 F433C426-K431 WeakPolarHBondContact CB-O 3.27Å; C426-K431 PolarHBondContact N-O 3.06Å; C429-K431 PolarHBondContact O-N 3.48Å; C429-K431 VanDerWaalsContact O-N 3.1Å; K431-F433 HydrophobicContact CB-CE2 3.97Å; K431-F433 HydrophobicContact CB-CZ 4.11Å; K431-F433 WeakPolarHBondContact O-CD2 3.16Å; K431-F433 WeakPolarHBondContact O-CE2 3.37Å
432H88.4Confident86.8Confident96 Ų9668 Ų6844%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-92.9139.8-174.9-71.460.1000112K422 F424 E425 G430K422-H432 HydrophobicContact CB-CB 3.65Å; K422-H432 HydrophobicContact CD-CB 4.29Å; K422-H432 PolarHBondContact O-CD2 3.19Å; F424-H432 CarbonylContact O-C 3.55Å; E425-H432 IonicContact OE1-CE1 2.64Å; E425-H432 PolarHBondContact OE1-CE1 3.39Å; E425-H432 IonicContact OE1-ND1 2.73Å; E425-H432 IonicContact OE2-CE1 3.53Å; G430-H432 PolarHBondContact O-ND1 3.04Å
433F87.7Confident86.9Confident46 Ų4665.1 Ų65.120%0.20236%0.362CS..EExtended strand (participates in β ladder)trans-127.3148.9-179.4-62.5-82000112K422 F424 C426 K431 Q435 N438 L439 H442K422-F433 CarbonylContact C-O 3.36Å; K422-F433 WeakPolarHBondContact CA-O 3.29Å; F424-F433 HydrophobicContact CB-CB 4.28Å; F424-F433 WeakPolarHBondContact CB-O 3.42Å; F424-F433 WeakPolarHBondContact CD2-O 3.42Å; F424-F433 PolarHBondContact N-O 3.38Å; F424-F433 PolarHBondContact O-N 3.19Å; C426-F433 HydrophobicContact CB-CE2 4.35Å; K431-F433 HydrophobicContact CB-CE2 3.97Å; K431-F433 HydrophobicContact CB-CZ 4.11Å; K431-F433 WeakPolarHBondContact O-CD2 3.16Å; K431-F433 WeakPolarHBondContact O-CE2 3.37Å; F433-Q435 VanDerWaalsContact C-N 3.33Å; F433-N438 HydrophobicContact CB-CB 4.33Å; F433-N438 HydrophobicContact CD1-CB 4.04Å; F433-N438 HydrophobicContact CG-CB 4.42Å; F433-L439 HydrophobicContact CB-CB 4.34Å; F433-L439 HydrophobicContact CD2-CB 4.04Å; F433-L439 HydrophobicContact CD2-CD1 3.96Å; F433-L439 HydrophobicContact CE2-CD1 4.3Å; F433-L439 HydrophobicContact CG-CB 4.37Å; F433-H442 HydrophobicContact CE1-CB 4.47Å; F433-H442 HydrophobicContact CE2-CB 4.09Å; F433-H442 AromaticContact CE2-CE1 3.84Å; F433-H442 AromaticContact CE2-CG 3.77Å; F433-H442 AromaticContact CE2-ND1 3.6Å; F433-H442 HydrophobicContact CZ-CB 3.97Å; F433-H442 AromaticContact CZ-CE1 3.58Å; F433-H442 AromaticContact CZ-CG 3.65Å; F433-H442 AromaticContact CZ-ND1 3.1Å; F433-H442 WeakPolarHBondContact CZ-ND1 3.46Å
434S85.8Confident86.9Confident37 Ų3764.3 Ų64.326%0.25935%0.349SS..SBendtrans-81.7-7.9175.654.10000114.2
435Q86.7Confident86.8Confident73 Ų7368.5 Ų68.534%0.34136%0.362SS..SBendtrans-140.7138.5-179.2-60175.431.100111.5L413 F424 F433 G437 N438 L439L413-Q435 HydrophobicContact CD1-CG 3.4Å; L413-Q435 VanDerWaalsContact CD1-CG 3.4Å; L413-Q435 HydrophobicContact CD2-CG 4.13Å; L413-Q435 HydrophobicContact CG-CG 4.41Å; F424-Q435 VanDerWaalsContact CD2-C 3.41Å; F433-Q435 VanDerWaalsContact C-N 3.33Å; Q435-G437 VanDerWaalsContact C-N 3.3Å; Q435-G437 PolarHBondContact O-N 3.18Å; Q435-N438 HydrophobicContact CB-CB 4.22Å; Q435-N438 PolarHBondContact O-N 3.43Å; Q435-N438 VanDerWaalsContact O-N 3.13Å; Q435-L439 PolarHBondContact O-N 3.46Å; Q435-L439 VanDerWaalsContact O-N 3.14Å
436A85.1Confident86.5Confident47 Ų4767.5 Ų67.539%0.38836%0.358SS..Hα-helixtrans-57.2-39.3172.800000112.8F424 N438 L439 Q440F424-A436 HydrophobicContact CD1-CB 3.99Å; F424-A436 HydrophobicContact CE1-CB 3.77Å; F424-A436 HydrophobicContact CG-CB 4.48Å; F424-A436 HydrophobicContact CZ-CB 4.07Å; A436-N438 VanDerWaalsContact C-N 3.29Å; A436-N438 PolarHBondContact O-N 3.37Å; A436-L439 WeakPolarHBondContact O-CB 3.46Å; A436-L439 PolarHBondContact O-N 3.47Å; A436-Q440 WeakPolarHBondContact O-CG 3.49Å; A436-Q440 PolarHBondContact O-N 2.84Å
437G83.9Confident86.3Confident43 Ų4370.8 Ų70.844%0.44338%0.381SS..Hα-helixtrans-63.4-32.2177.200000113.9Q435 T441Q435-G437 VanDerWaalsContact C-N 3.3Å; Q435-G437 PolarHBondContact O-N 3.18Å; G437-T441 PolarHBondContact O-N 2.94Å; G437-T441 PolarHBondContact O-OG1 3.36Å
438N86.4Confident86.1Confident65 Ų6565.6 Ų65.635%0.34836%0.363SS..Hα-helixtrans-75.1-35.7175.2-67.3-20.3000111.3F433 Q435 A436 T441 H442F433-N438 HydrophobicContact CB-CB 4.33Å; F433-N438 HydrophobicContact CD1-CB 4.04Å; F433-N438 HydrophobicContact CG-CB 4.42Å; Q435-N438 HydrophobicContact CB-CB 4.22Å; Q435-N438 PolarHBondContact O-N 3.43Å; Q435-N438 VanDerWaalsContact O-N 3.13Å; A436-N438 VanDerWaalsContact C-N 3.29Å; A436-N438 PolarHBondContact O-N 3.37Å; N438-T441 WeakPolarHBondContact CA-OG1 3.42Å; N438-T441 PolarHBondContact O-OG1 2.92Å; N438-H442 VanDerWaalsContact O-CB 3.23Å; N438-H442 WeakPolarHBondContact O-CB 3.44Å; N438-H442 PolarHBondContact O-N 3.32Å
439L88.9Confident85.9Confident23 Ų2365.3 Ų65.312%0.1236%0.36CS..Hα-helixtrans-63.9-45.4168.9173.361.1000111.4F424 E425 C426 F433 Q435 A436 H442 L443F424-L439 HydrophobicContact CB-CB 4.14Å; F424-L439 HydrophobicContact CB-CD2 3.91Å; E425-L439 WeakPolarHBondContact O-CD1 3.3Å; E425-L439 VanDerWaalsContact O-CD2 3.22Å; E425-L439 WeakPolarHBondContact O-CD2 3.34Å; C426-L439 HydrophobicContact CB-CD1 3.56Å; F433-L439 HydrophobicContact CB-CB 4.34Å; F433-L439 HydrophobicContact CD2-CB 4.04Å; F433-L439 HydrophobicContact CD2-CD1 3.96Å; F433-L439 HydrophobicContact CE2-CD1 4.3Å; F433-L439 HydrophobicContact CG-CB 4.37Å; Q435-L439 PolarHBondContact O-N 3.46Å; Q435-L439 VanDerWaalsContact O-N 3.14Å; A436-L439 WeakPolarHBondContact O-CB 3.46Å; A436-L439 PolarHBondContact O-N 3.47Å; L439-H442 CarbonylContact O-C 3.53Å; L439-H442 WeakPolarHBondContact O-CA 3.22Å; L439-H442 WeakPolarHBondContact O-CB 3.38Å; L439-H442 PolarHBondContact O-N 3.07Å; L439-H442 VanDerWaalsContact O-N 3.15Å; L439-L443 HydrophobicContact CD1-CD1 4.14Å; L439-L443 HydrophobicContact CD1-CD2 4.42Å; L439-L443 HydrophobicContact CD1-CG 3.98Å; L439-L443 HydrophobicContact CG-CD1 4Å; L439-L443 HydrophobicContact CG-CG 4.31Å; L439-L443 WeakPolarHBondContact O-CG 3.44Å; L439-L443 PolarHBondContact O-N 2.89Å
440Q85.4Confident85.9Confident112 Ų11268 Ų6852%0.52337%0.366SS..Hα-helixtrans-64.7-43.5-179.4-72.1-63.9-19.800112.7A436 H442 L443 R444A436-Q440 WeakPolarHBondContact O-CG 3.49Å; A436-Q440 PolarHBondContact O-N 2.84Å; Q440-H442 VanDerWaalsContact C-N 3.27Å; Q440-H442 PolarHBondContact O-N 3.49Å; Q440-L443 PolarHBondContact O-N 3.44Å; Q440-R444 PolarHBondContact O-N 3.31Å
441T85.3Confident85.9Confident54 Ų5469 Ų6933%0.33137%0.365SS..Hα-helixtrans-67.3-27173.148.50000112.9G437 N438 A463G437-T441 PolarHBondContact O-N 2.94Å; G437-T441 PolarHBondContact O-OG1 3.36Å; N438-T441 WeakPolarHBondContact CA-OG1 3.42Å; N438-T441 PolarHBondContact O-OG1 2.92Å; T441-A463 HydrophobicContact CG2-CB 4.48Å
442H87.6Confident85.9Confident21 Ų2167.4 Ų67.410%0.09736%0.357CS..Hα-helixtrans-70.9-43.3169.3174.8114.2000113C426 C429 F433 N438 L439 Q440 R444 R445 H446C426-H442 VanDerWaalsContact SG-CD2 3.51Å; C426-H442 PolarHBondContact SG-NE2 3.41Å; C426-H442 VanDerWaalsContact SG-NE2 3.4Å; C429-H442 PolarHBondContact SG-NE2 3.32Å; F433-H442 HydrophobicContact CE1-CB 4.47Å; F433-H442 HydrophobicContact CE2-CB 4.09Å; F433-H442 AromaticContact CE2-CE1 3.84Å; F433-H442 AromaticContact CE2-CG 3.77Å; F433-H442 AromaticContact CE2-ND1 3.6Å; F433-H442 HydrophobicContact CZ-CB 3.97Å; F433-H442 AromaticContact CZ-CE1 3.58Å; F433-H442 AromaticContact CZ-CG 3.65Å; F433-H442 AromaticContact CZ-ND1 3.1Å; F433-H442 WeakPolarHBondContact CZ-ND1 3.46Å; N438-H442 VanDerWaalsContact O-CB 3.23Å; N438-H442 WeakPolarHBondContact O-CB 3.44Å; N438-H442 PolarHBondContact O-N 3.32Å; L439-H442 CarbonylContact O-C 3.53Å; L439-H442 WeakPolarHBondContact O-CA 3.22Å; L439-H442 WeakPolarHBondContact O-CB 3.38Å; L439-H442 PolarHBondContact O-N 3.07Å; L439-H442 VanDerWaalsContact O-N 3.15Å; Q440-H442 VanDerWaalsContact C-N 3.27Å; Q440-H442 PolarHBondContact O-N 3.49Å; H442-R444 PolarHBondContact O-N 2.99Å; H442-R445 PolarHBondContact CE1-NH2 3.35Å; H442-R445 PolarHBondContact ND1-NH2 2.9Å; H442-R445 VanDerWaalsContact O-CB 3.26Å; H442-R445 WeakPolarHBondContact O-CB 3.49Å; H442-R445 PolarHBondContact O-N 3.49Å; H442-H446 AromaticContact CD2-CD2 3.81Å; H442-H446 AromaticContact CD2-NE2 3.5Å; H442-H446 AromaticContact NE2-CD2 3.82Å; H442-H446 AromaticContact NE2-CE1 3.96Å; H442-H446 AromaticContact NE2-NE2 3.03Å; H442-H446 PolarHBondContact NE2-NE2 3.49Å
443L86.6Confident85.9Confident47 Ų4766.8 Ų66.825%0.24636%0.356CS..Hα-helixtrans-59.9-34.7-178.8-75.4168.9000111.9I428 L439 Q440 R445 H446 S447I428-L443 HydrophobicContact CD1-CD2 4.16Å; L439-L443 HydrophobicContact CD1-CD1 4.14Å; L439-L443 HydrophobicContact CD1-CD2 4.42Å; L439-L443 HydrophobicContact CD1-CG 3.98Å; L439-L443 HydrophobicContact CG-CD1 4Å; L439-L443 HydrophobicContact CG-CG 4.31Å; L439-L443 WeakPolarHBondContact O-CG 3.44Å; L439-L443 PolarHBondContact O-N 2.89Å; Q440-L443 PolarHBondContact O-N 3.44Å; L443-R445 PolarHBondContact O-N 2.95Å; L443-R445 VanDerWaalsContact O-N 3.09Å; L443-H446 WeakPolarHBondContact O-CA 3.34Å; L443-H446 WeakPolarHBondContact O-CB 3.48Å; L443-H446 PolarHBondContact O-N 3.08Å; L443-S447 PolarHBondContact O-N 2.95Å
444R87.6Confident86Confident60 Ų6064.6 Ų64.623%0.22635%0.346CS..Hα-helixtrans-56.3-22.3171.6-70.6178.6-176.6167.32.3114.6Q440 H442 G448 E449 Y452 A462Q440-R444 PolarHBondContact O-N 3.31Å; H442-R444 PolarHBondContact O-N 2.99Å; R444-G448 CarbonylContact O-C 3.57Å; R444-G448 WeakPolarHBondContact O-CA 3.44Å; R444-G448 PolarHBondContact O-N 3.04Å; R444-E449 HydrophobicContact CB-CB 4.25Å; R444-E449 HydrophobicContact CG-CB 4.09Å; R444-E449 PolarHBondContact O-N 3.44Å; R444-E449 VanDerWaalsContact O-N 3.14Å; R444-Y452 VanDerWaalsContact NH1-CE2 3.33Å; R444-Y452 PolarHBondContact NH1-OH 3.46Å; R444-A462 HydrophobicContact CB-CB 4.07Å; R444-A462 WeakPolarHBondContact CD-O 3.4Å; R444-A462 PolarHBondContact NH1-O 2.89Å
445R83.4Confident86Confident156 Ų15671.9 Ų71.959%0.58938%0.376SS*.Hα-helixtrans-73.5-30.2172.2-176.5176.957.3174.5-5.5112.3H442 L443H442-R445 PolarHBondContact CE1-NH2 3.35Å; H442-R445 PolarHBondContact ND1-NH2 2.9Å; H442-R445 VanDerWaalsContact O-CB 3.26Å; H442-R445 WeakPolarHBondContact O-CB 3.49Å; H442-R445 PolarHBondContact O-N 3.49Å; L443-R445 PolarHBondContact O-N 2.95Å; L443-R445 VanDerWaalsContact O-N 3.09Å
446H84.6Confident85.9Confident67 Ų6773.6 Ų73.631%0.3139%0.386SS..Hα-helixtrans-83.1-41.1177.7-59-60000111.7C426 I428 C429 H442 L443 G448C426-H446 PolarHBondContact SG-NE2 3.46Å; C426-H446 VanDerWaalsContact SG-NE2 3.4Å; I428-H446 HydrophobicContact CD1-CB 3.68Å; I428-H446 HydrophobicContact CG2-CB 4.21Å; C429-H446 PolarHBondContact SG-NE2 2.88Å; C429-H446 VanDerWaalsContact SG-NE2 3.41Å; H442-H446 AromaticContact CD2-CD2 3.81Å; H442-H446 AromaticContact CD2-NE2 3.5Å; H442-H446 AromaticContact NE2-CD2 3.82Å; H442-H446 AromaticContact NE2-CE1 3.96Å; H442-H446 AromaticContact NE2-NE2 3.03Å; H442-H446 PolarHBondContact NE2-NE2 3.49Å; L443-H446 WeakPolarHBondContact O-CA 3.34Å; L443-H446 WeakPolarHBondContact O-CB 3.48Å; L443-H446 PolarHBondContact O-N 3.08Å; H446-G448 PolarHBondContact O-N 3.47Å
447S84.8Confident85.9Confident70 Ų7073.7 Ų73.749%0.4938%0.384SS..Hα-helixtrans-75.3-11.8172.766.50000113.8L443 E449L443-S447 PolarHBondContact O-N 2.95Å; S447-E449 WeakPolarHBondContact CB-OE1 3.35Å; S447-E449 PolarHBondContact O-N 3.08Å; S447-E449 WeakPolarHBondContact OG-CB 3.45Å; S447-E449 VanDerWaalsContact OG-CD 3.25Å; S447-E449 WeakPolarHBondContact OG-CG 3.5Å; S447-E449 PolarHBondContact OG-OE1 2.96Å
448G83.1Confident85.9Confident45 Ų4574 Ų7446%0.46439%0.386SS..  trans73.9-0.3-176.300000114.5R444 H446 K450R444-G448 CarbonylContact O-C 3.57Å; R444-G448 WeakPolarHBondContact O-CA 3.44Å; R444-G448 PolarHBondContact O-N 3.04Å; H446-G448 PolarHBondContact O-N 3.47Å; G448-K450 PolarHBondContact O-N 3.45Å
449E84Confident85.8Confident105 Ų10576.5 Ų76.549%0.49139%0.394SS..  trans-56.9126.1-179.1-81.4168.1-127.500112.8R444 S447R444-E449 HydrophobicContact CB-CB 4.25Å; R444-E449 HydrophobicContact CG-CB 4.09Å; R444-E449 PolarHBondContact O-N 3.44Å; R444-E449 VanDerWaalsContact O-N 3.14Å; S447-E449 WeakPolarHBondContact CB-OE1 3.35Å; S447-E449 PolarHBondContact O-N 3.08Å; S447-E449 WeakPolarHBondContact OG-CB 3.45Å; S447-E449 VanDerWaalsContact OG-CD 3.25Å; S447-E449 WeakPolarHBondContact OG-CG 3.5Å; S447-E449 PolarHBondContact OG-OE1 2.96Å
450K87.1Confident85.7Confident106 Ų10682.2 Ų82.246%0.46141%0.414SS..  trans-129.581.7176.4-69.8162.1-179.4177.20109.1G448 Y452 R460 F461G448-K450 PolarHBondContact O-N 3.45Å; K450-Y452 VanDerWaalsContact C-N 3.34Å; K450-R460 HydrophobicContact CB-CB 3.56Å; K450-R460 HydrophobicContact CD-CB 4.19Å; K450-R460 HydrophobicContact CG-CB 4.43Å; K450-R460 PolarHBondContact O-NE 2.99Å; K450-R460 PolarHBondContact O-NH2 3.07Å; K450-F461 CarbonylContact C-O 3.19Å; K450-F461 VanDerWaalsContact CA-O 3.26Å; K450-F461 WeakPolarHBondContact CA-O 3.48Å
451P85.6Confident85.8Confident61 Ų6179.3 Ų79.340%0.39640%0.4SS..  trans-68.8-32.6-174.1-20.634.1000112.8
452Y87Confident85.8Confident82 Ų8278 Ų7832%0.32239%0.394SS..EExtended strand (participates in β ladder)trans-92.2135.5-174.9-45.4-79000110.3R444 K450 R460 F461 A462 S464 V467R444-Y452 VanDerWaalsContact NH1-CE2 3.33Å; R444-Y452 PolarHBondContact NH1-OH 3.46Å; K450-Y452 VanDerWaalsContact C-N 3.34Å; Y452-R460 CarbonylContact O-C 3.07Å; Y452-R460 WeakPolarHBondContact O-CA 3.36Å; Y452-F461 PolarHBondContact N-O 2.81Å; Y452-F461 PolarHBondContact O-N 3.05Å; Y452-A462 WeakPolarHBondContact CE2-O 3.48Å; Y452-S464 VanDerWaalsContact CD2-N 3.32Å; Y452-S464 VanDerWaalsContact CE2-N 3.29Å; Y452-V467 HydrophobicContact CG-CG2 4.47Å
453I86.8Confident85.7Confident83 Ų8378.1 Ų78.143%0.42640%0.399SS..EExtended strand (participates in β ladder)trans-123.2139.1-175.1-48.6-172.5000108.4R460I453-R460 HydrophobicContact CD1-CG 4.41Å; I453-R460 HydrophobicContact CG1-CG 4.09Å; I453-R460 HydrophobicContact CG2-CG 4.33Å
454C90.3Very high85.6Confident0 Ų079 Ų790%041%0.409CS..  trans-86.9106.2168.1-179.60000109.1I456 C457 G458 K459 F461 V467C454-I456 PolarHBondContact O-N 3.32Å; C454-C457 PolarHBondContact O-N 3.21Å; C454-C457 VanDerWaalsContact O-N 3.1Å; C454-G458 WeakPolarHBondContact O-CA 3.34Å; C454-G458 PolarHBondContact O-N 2.76Å; C454-K459 PolarHBondContact N-O 2.75Å; C454-F461 HydrophobicContact CB-CE2 4.27Å; C454-V467 HydrophobicContact CB-CG1 4.17Å
455E86.3Confident85.4Confident190 Ų19077.9 Ų77.989%0.88842%0.417SS*.THydrogen-bonded Turntrans-56.1-34.2-176.2-66.4167.2-179.300112.8C457E455-C457 VanDerWaalsContact C-N 3.26Å; E455-C457 PolarHBondContact O-N 2.71Å
456I85.4Confident85.5Confident108 Ų10873 Ų7355%0.55440%0.402SS*.THydrogen-bonded Turntrans-65.9-22.7-179-53.5169.9000113C454 I471 H474C454-I456 PolarHBondContact O-N 3.32Å; I456-I471 HydrophobicContact CD1-CG2 4.33Å; I456-H474 HydrophobicContact CB-CB 4.49Å; I456-H474 HydrophobicContact CD1-CB 3.66Å; I456-H474 HydrophobicContact CG2-CB 3.97Å
457C83.9Confident85.6Confident50 Ų5070.3 Ų70.334%0.33839%0.39SS..THydrogen-bonded Turntrans-151.213.7-174.769.50000116.3C454 E455 K459 H470 H474C454-C457 PolarHBondContact O-N 3.21Å; C454-C457 VanDerWaalsContact O-N 3.1Å; E455-C457 VanDerWaalsContact C-N 3.26Å; E455-C457 PolarHBondContact O-N 2.71Å; C457-K459 PolarHBondContact O-N 2.72Å; C457-H470 PolarHBondContact SG-NE2 3.1Å; C457-H474 VanDerWaalsContact SG-CE1 3.51Å; C457-H474 PolarHBondContact SG-NE2 3.25Å
458G83.7Confident85.5Confident48 Ų4872.9 Ų72.950%0.49540%0.395SS..  trans65.5-4.7179.700000116.6C454 R460C454-G458 WeakPolarHBondContact O-CA 3.34Å; C454-G458 PolarHBondContact O-N 2.76Å; G458-R460 WeakPolarHBondContact O-CG 3.38Å; G458-R460 PolarHBondContact O-N 3.17Å
459K84.8Confident85.5Confident119 Ų11975.5 Ų75.552%0.51739%0.391SS..  trans-64.8130.5-176-71.1175.4-172.1164.20111C454 C457 F461C454-K459 PolarHBondContact N-O 2.75Å; C457-K459 PolarHBondContact O-N 2.72Å; K459-F461 HydrophobicContact CB-CE2 3.66Å; K459-F461 HydrophobicContact CB-CZ 4.12Å; K459-F461 WeakPolarHBondContact O-CD2 3.36Å; K459-F461 VanDerWaalsContact O-CE2 3.3Å; K459-F461 WeakPolarHBondContact O-CE2 3.34Å
460R87.4Confident85.6Confident142 Ų14271.5 Ų71.554%0.53637%0.372SS..EExtended strand (participates in β ladder)trans-105.5140.9-174.8-50.3-175.958.1167.3-0112.2K450 Y452 I453 G458K450-R460 HydrophobicContact CB-CB 3.56Å; K450-R460 HydrophobicContact CD-CB 4.19Å; K450-R460 HydrophobicContact CG-CB 4.43Å; K450-R460 PolarHBondContact O-NE 2.99Å; K450-R460 PolarHBondContact O-NH2 3.07Å; Y452-R460 CarbonylContact O-C 3.07Å; Y452-R460 WeakPolarHBondContact O-CA 3.36Å; I453-R460 HydrophobicContact CD1-CG 4.41Å; I453-R460 HydrophobicContact CG1-CG 4.09Å; I453-R460 HydrophobicContact CG2-CG 4.33Å; G458-R460 WeakPolarHBondContact O-CG 3.38Å; G458-R460 PolarHBondContact O-N 3.17Å
461F86.6Confident85.5Confident51 Ų5169.1 Ų69.122%0.22436%0.363CS..EExtended strand (participates in β ladder)trans-135.1154.8-173.5-59.5-103.2000112.1K450 Y452 C454 K459 D466 V467 H470K450-F461 CarbonylContact C-O 3.19Å; K450-F461 VanDerWaalsContact CA-O 3.26Å; K450-F461 WeakPolarHBondContact CA-O 3.48Å; Y452-F461 PolarHBondContact N-O 2.81Å; Y452-F461 PolarHBondContact O-N 3.05Å; C454-F461 HydrophobicContact CB-CE2 4.27Å; K459-F461 HydrophobicContact CB-CE2 3.66Å; K459-F461 HydrophobicContact CB-CZ 4.12Å; K459-F461 WeakPolarHBondContact O-CD2 3.36Å; K459-F461 VanDerWaalsContact O-CE2 3.3Å; K459-F461 WeakPolarHBondContact O-CE2 3.34Å; F461-D466 HydrophobicContact CB-CB 4.24Å; F461-D466 HydrophobicContact CD1-CB 3.84Å; F461-D466 HydrophobicContact CG-CB 4.36Å; F461-V467 HydrophobicContact CB-CG2 3.66Å; F461-V467 HydrophobicContact CD2-CG2 3.62Å; F461-V467 HydrophobicContact CG-CG2 3.84Å; F461-H470 HydrophobicContact CE1-CB 4.2Å; F461-H470 HydrophobicContact CE2-CB 4.25Å; F461-H470 AromaticContact CE2-CD2 3.52Å; F461-H470 HydrophobicContact CZ-CB 3.72Å; F461-H470 AromaticContact CZ-CD2 3.34Å; F461-H470 WeakPolarHBondContact CZ-CD2 3.26Å; F461-H470 AromaticContact CZ-CG 3.51Å
462A86.1Confident85.5Confident26 Ų2668.1 Ų68.122%0.21536%0.355CS..SBendtrans-84.4-21.8-176.200000114.3R444 Y452R444-A462 HydrophobicContact CB-CB 4.07Å; R444-A462 WeakPolarHBondContact CD-O 3.4Å; R444-A462 PolarHBondContact NH1-O 2.89Å; Y452-A462 WeakPolarHBondContact CE2-O 3.48Å
463A85.9Confident85.2Confident24 Ų2468.7 Ų68.720%0.19836%0.362CS..SBendtrans-129.2144.1178.900000111.7T441 G465 D466T441-A463 HydrophobicContact CG2-CB 4.48Å; A463-G465 PolarHBondContact O-N 3.25Å; A463-D466 PolarHBondContact O-N 3.34Å
464S83.8Confident84.8Confident65 Ų6568.2 Ų68.246%0.45536%0.358SS..Hα-helixtrans-63.8-41-177.450.20000112.6Y452 D466 V467 Q468Y452-S464 VanDerWaalsContact CD2-N 3.32Å; Y452-S464 VanDerWaalsContact CE2-N 3.29Å; S464-D466 PolarHBondContact O-N 3.04Å; S464-V467 PolarHBondContact O-N 3.37Å; S464-Q468 PolarHBondContact O-N 3.38Å
465G82.9Confident84.2Confident37 Ų3771.7 Ų71.738%0.38138%0.382SS..Hα-helixtrans-63.1-18.6176.500000114.3A463 R469A463-G465 PolarHBondContact O-N 3.25Å; G465-R469 VanDerWaalsContact O-CB 3.29Å; G465-R469 WeakPolarHBondContact O-CB 3.47Å; G465-R469 PolarHBondContact O-N 3.46Å; G465-R469 PolarHBondContact O-NH2 3.01Å; G465-R469 VanDerWaalsContact O-NH2 3.16Å
466D84.9Confident83.7Confident54 Ų5465 Ų6529%0.28936%0.364SS..Hα-helixtrans-80.7-34.9171.9-65.1-31000111.9F461 A463 S464 R469 H470F461-D466 HydrophobicContact CB-CB 4.24Å; F461-D466 HydrophobicContact CD1-CB 3.84Å; F461-D466 HydrophobicContact CG-CB 4.36Å; A463-D466 PolarHBondContact O-N 3.34Å; S464-D466 PolarHBondContact O-N 3.04Å; D466-R469 IonicContact OD1-CZ 3.16Å; D466-R469 IonicContact OD1-NH1 2.76Å; D466-R469 PolarHBondContact OD1-NH1 3.08Å; D466-R469 IonicContact OD1-NH2 2.71Å; D466-R469 PolarHBondContact OD1-NH2 3.21Å; D466-H470 WeakPolarHBondContact O-CB 3.32Å; D466-H470 PolarHBondContact O-N 3.04Å
467V86.7Confident83.2Confident10 Ų1065.6 Ų65.66%0.06137%0.365CS..Hα-helixtrans-66.8-47.7173-176.30000110.8Y452 C454 F461 S464 R469 H470 I471Y452-V467 HydrophobicContact CG-CG2 4.47Å; C454-V467 HydrophobicContact CB-CG1 4.17Å; F461-V467 HydrophobicContact CB-CG2 3.66Å; F461-V467 HydrophobicContact CD2-CG2 3.62Å; F461-V467 HydrophobicContact CG-CG2 3.84Å; S464-V467 PolarHBondContact O-N 3.37Å; V467-R469 VanDerWaalsContact C-N 3.29Å; V467-R469 PolarHBondContact O-N 2.98Å; V467-H470 CarbonylContact O-C 3.42Å; V467-H470 WeakPolarHBondContact O-CA 3.36Å; V467-H470 WeakPolarHBondContact O-CB 3.44Å; V467-H470 PolarHBondContact O-N 3.36Å; V467-I471 HydrophobicContact CG1-CD1 3.87Å; V467-I471 HydrophobicContact CG1-CG1 4.27Å; V467-I471 WeakPolarHBondContact O-CG1 3.35Å; V467-I471 PolarHBondContact O-N 3.15Å
468Q84.4Confident83Confident124 Ų12467.6 Ų67.658%0.57937%0.368SS*.Hα-helixtrans-57.6-44.8178.1-69-63.5-18.100111.1S464 H470 I471 I472S464-Q468 PolarHBondContact O-N 3.38Å; Q468-H470 VanDerWaalsContact C-N 3.27Å; Q468-H470 PolarHBondContact O-N 3.33Å; Q468-I471 PolarHBondContact O-N 3.09Å; Q468-I472 PolarHBondContact O-N 3.36Å
469R82.6Confident82.6Confident101 Ų10168.4 Ų68.438%0.38136%0.364SS..Hα-helixtrans-66.1-27.1174.9-156.9-172.9-39.7108.29.4113.5G465 D466 V467 N491G465-R469 VanDerWaalsContact O-CB 3.29Å; G465-R469 WeakPolarHBondContact O-CB 3.47Å; G465-R469 PolarHBondContact O-N 3.46Å; G465-R469 PolarHBondContact O-NH2 3.01Å; G465-R469 VanDerWaalsContact O-NH2 3.16Å; D466-R469 IonicContact OD1-CZ 3.16Å; D466-R469 IonicContact OD1-NH1 2.76Å; D466-R469 PolarHBondContact OD1-NH1 3.08Å; D466-R469 IonicContact OD1-NH2 2.71Å; D466-R469 PolarHBondContact OD1-NH2 3.21Å; V467-R469 VanDerWaalsContact C-N 3.29Å; V467-R469 PolarHBondContact O-N 2.98Å; R469-N491 VanDerWaalsContact CD-CG 3.49Å; R469-N491 WeakPolarHBondContact CD-OD1 3.47Å; R469-N491 WeakPolarHBondContact CG-OD1 3.37Å
470H85.6Confident82.4Confident21 Ų2165.6 Ų65.610%0.09735%0.353CS..Hα-helixtrans-77.7-35.7173.5-178.641000112.9C457 F461 D466 V467 Q468 I472 I473 H474C457-H470 PolarHBondContact SG-NE2 3.1Å; F461-H470 HydrophobicContact CE1-CB 4.2Å; F461-H470 HydrophobicContact CE2-CB 4.25Å; F461-H470 AromaticContact CE2-CD2 3.52Å; F461-H470 HydrophobicContact CZ-CB 3.72Å; F461-H470 AromaticContact CZ-CD2 3.34Å; F461-H470 WeakPolarHBondContact CZ-CD2 3.26Å; F461-H470 AromaticContact CZ-CG 3.51Å; D466-H470 WeakPolarHBondContact O-CB 3.32Å; D466-H470 PolarHBondContact O-N 3.04Å; V467-H470 CarbonylContact O-C 3.42Å; V467-H470 WeakPolarHBondContact O-CA 3.36Å; V467-H470 WeakPolarHBondContact O-CB 3.44Å; V467-H470 PolarHBondContact O-N 3.36Å; Q468-H470 VanDerWaalsContact C-N 3.27Å; Q468-H470 PolarHBondContact O-N 3.33Å; H470-I472 VanDerWaalsContact C-N 3.25Å; H470-I472 PolarHBondContact O-N 3.18Å; H470-I473 VanDerWaalsContact O-CB 3.27Å; H470-I473 WeakPolarHBondContact O-CB 3.32Å; H470-I473 PolarHBondContact O-N 2.82Å; H470-H474 AromaticContact CD2-NE2 3.77Å; H470-H474 AromaticContact CE1-CE1 3.98Å; H470-H474 AromaticContact CE1-NE2 3.3Å; H470-H474 PolarHBondContact CE1-NE2 3.2Å; H470-H474 VanDerWaalsContact CE1-NE2 3.3Å; H470-H474 AromaticContact NE2-CD2 3.96Å; H470-H474 AromaticContact NE2-CE1 3.91Å; H470-H474 AromaticContact NE2-NE2 3.05Å; H470-H474 PolarHBondContact NE2-NE2 3.04Å
471I84.5Confident82.2Confident55 Ų5563.6 Ų63.628%0.28235%0.352SS..Hα-helixtrans-60.2-36.5176.6-71.3166.5000111.1I456 V467 Q468 I473 H474 S475I456-I471 HydrophobicContact CD1-CG2 4.33Å; V467-I471 HydrophobicContact CG1-CD1 3.87Å; V467-I471 HydrophobicContact CG1-CG1 4.27Å; V467-I471 WeakPolarHBondContact O-CG1 3.35Å; V467-I471 PolarHBondContact O-N 3.15Å; Q468-I471 PolarHBondContact O-N 3.09Å; I471-I473 PolarHBondContact O-N 3.19Å; I471-I473 VanDerWaalsContact O-N 3.14Å; I471-H474 PolarHBondContact O-N 3.03Å; I471-S475 PolarHBondContact O-N 3.49Å
472I85.3Confident82.1Confident41 Ų4161.2 Ų61.221%0.2134%0.342CS..Hα-helixtrans-52.6-35.1172.5-63.3171.6000112Q468 H470 S475 G476 E477 P479Q468-I472 PolarHBondContact O-N 3.36Å; H470-I472 VanDerWaalsContact C-N 3.25Å; H470-I472 PolarHBondContact O-N 3.18Å; I472-S475 PolarHBondContact O-N 3.22Å; I472-G476 PolarHBondContact O-N 3.14Å; I472-E477 HydrophobicContact CG2-CB 4.44Å; I472-E477 WeakPolarHBondContact CG2-O 3.46Å; I472-P479 HydrophobicContact CD1-CG 4.41Å; I472-P479 HydrophobicContact CG2-CG 4.12Å
473I81.9Confident81.9Confident94 Ų9466 Ų6648%0.48236%0.364SS..Hα-helixtrans-67.9-37.3179.2-51.4-177.7000111.3H470 I471H470-I473 VanDerWaalsContact O-CB 3.27Å; H470-I473 WeakPolarHBondContact O-CB 3.32Å; H470-I473 PolarHBondContact O-N 2.82Å; I471-I473 PolarHBondContact O-N 3.19Å; I471-I473 VanDerWaalsContact O-N 3.14Å
474H78.1Confident81.7Confident72 Ų7269.9 Ų69.933%0.33338%0.38SS..Hα-helixtrans-74.3-33.5175.9-62.5-69.2000112.4I456 C457 H470 I471 G476I456-H474 HydrophobicContact CB-CB 4.49Å; I456-H474 HydrophobicContact CD1-CB 3.66Å; I456-H474 HydrophobicContact CG2-CB 3.97Å; C457-H474 VanDerWaalsContact SG-CE1 3.51Å; C457-H474 PolarHBondContact SG-NE2 3.25Å; H470-H474 AromaticContact CD2-NE2 3.77Å; H470-H474 AromaticContact CE1-CE1 3.98Å; H470-H474 AromaticContact CE1-NE2 3.3Å; H470-H474 PolarHBondContact CE1-NE2 3.2Å; H470-H474 VanDerWaalsContact CE1-NE2 3.3Å; H470-H474 AromaticContact NE2-CD2 3.96Å; H470-H474 AromaticContact NE2-CE1 3.91Å; H470-H474 AromaticContact NE2-NE2 3.05Å; H470-H474 PolarHBondContact NE2-NE2 3.04Å; I471-H474 PolarHBondContact O-N 3.03Å; H474-G476 PolarHBondContact O-N 3.27Å
475S77.9Confident81.4Confident73 Ų7369.8 Ų69.851%0.5138%0.379SS..THydrogen-bonded Turntrans-72.5-9177.5-162.70000113.7I471 I472 E477I471-S475 PolarHBondContact O-N 3.49Å; I472-S475 PolarHBondContact O-N 3.22Å; S475-E477 PolarHBondContact O-N 3.48Å
476G75.3Confident81.2Confident49 Ų4970.6 Ų70.651%0.50539%0.387SS..  trans66.1-6.4-173.700000114.9I472 H474I472-G476 PolarHBondContact O-N 3.14Å; H474-G476 PolarHBondContact O-N 3.27Å
477E74.7Confident80.8Confident122 Ų12275.7 Ų75.757%0.5740%0.402SS*.  trans-63.8142.6-179.4-71.7-163.3174.700111.2I472 S475 P479I472-E477 HydrophobicContact CG2-CB 4.44Å; I472-E477 WeakPolarHBondContact CG2-O 3.46Å; S475-E477 PolarHBondContact O-N 3.48Å; E477-P479 HydrophobicContact CB-CG 4.45Å
478K79.1Confident80.4Confident92 Ų9276 Ų7640%0.441%0.408SS..  trans-12772.3180-68.8164.9-171.6167.60108.6H480 F489 E605K478-H480 PolarHBondContact O-N 2.83Å; K478-H480 VanDerWaalsContact O-N 3.08Å; K478-F489 CarbonylContact C-O 3.52Å; K478-E605 IonicContact NZ-OE2 2.94Å; K478-E605 PolarHBondContact NZ-OE2 3.34Å
479P76.9Confident80.2Confident64 Ų6471.9 Ų71.942%0.41639%0.388SS..  trans-65.5-17.9-166-22.335.3000114.3I472 E477 F489I472-P479 HydrophobicContact CD1-CG 4.41Å; I472-P479 HydrophobicContact CG2-CG 4.12Å; E477-P479 HydrophobicContact CB-CG 4.45Å; P479-F489 WeakPolarHBondContact CD-O 3.31Å
480H80.1Confident80Confident60 Ų6068.4 Ų68.428%0.27838%0.379SS..EExtended strand (participates in β ladder)trans-109.288.6-178.1-58.1-62000109.7K478 F489 N491 F492 L495K478-H480 PolarHBondContact O-N 2.83Å; K478-H480 VanDerWaalsContact O-N 3.08Å; H480-F489 HydrophobicContact CB-CB 4.4Å; H480-F489 WeakPolarHBondContact CB-O 3.35Å; H480-F489 PolarHBondContact N-O 3.3Å; H480-F489 VanDerWaalsContact N-O 3.1Å; H480-F489 PolarHBondContact O-N 3.1Å; H480-N491 VanDerWaalsContact CD2-C 3.44Å; H480-F492 PolarHBondContact CD2-N 3.03Å; H480-F492 AromaticContact ND1-CD2 3.97Å; H480-F492 PolarHBondContact NE2-N 3.07Å; H480-L495 HydrophobicContact CB-CB 4.08Å; H480-L495 HydrophobicContact CB-CD2 3.77Å
481L83.7Confident79.7Confident101 Ų10169.1 Ų69.153%0.52938%0.383SS..EExtended strand (participates in β ladder)trans-75.4152.4175.1-57.7-177.1000111.5L495L481-L495 WeakPolarHBondContact O-CD1 3.27Å; L481-L495 WeakPolarHBondContact O-CD2 3.49Å
482C84.4Confident79.4Confident0 Ų072.2 Ų72.20%040%0.395CS..  trans-96.8110.3172.1-168.60000110.8I484 C485 G486 R487 F489 L495 H502C482-I484 PolarHBondContact O-N 3.23Å; C482-C485 PolarHBondContact O-N 3.16Å; C482-C485 VanDerWaalsContact O-N 3.11Å; C482-G486 WeakPolarHBondContact O-CA 3.32Å; C482-G486 PolarHBondContact O-N 2.89Å; C482-R487 WeakPolarHBondContact CB-O 3.07Å; C482-R487 PolarHBondContact N-O 3.35Å; C482-F489 HydrophobicContact CB-CE2 4.36Å; C482-L495 HydrophobicContact CB-CD1 3.61Å; C482-H502 VanDerWaalsContact SG-CD2 3.54Å
483D82.1Confident79.1Confident128 Ų12874.5 Ų74.568%0.68442%0.415SS*.THydrogen-bonded Turntrans-57.9-17.8-176.3-33.6-48.1000114.2K499D483-K499 VanDerWaalsContact OD2-CE 3.27Å; D483-K499 WeakPolarHBondContact OD2-CE 3.45Å; D483-K499 IonicContact OD2-NZ 2.69Å; D483-K499 PolarHBondContact OD2-NZ 3.37Å
484I80.1Confident79.1Confident104 Ų10473.2 Ų73.253%0.53341%0.409SS..THydrogen-bonded Turntrans-92.7-25.4-177.2-55.7167.9000112.4C482 H502C482-I484 PolarHBondContact O-N 3.23Å; I484-H502 HydrophobicContact CB-CB 4.29Å; I484-H502 HydrophobicContact CD1-CB 3.58Å; I484-H502 HydrophobicContact CG2-CB 3.89Å
485C78.3Confident79.3Confident64 Ų6470.1 Ų70.143%0.43240%0.395SS..THydrogen-bonded Turntrans-142.911.7-175.873.30000115.1C482 R487 H498 H502C482-C485 PolarHBondContact O-N 3.16Å; C482-C485 VanDerWaalsContact O-N 3.11Å; C485-R487 PolarHBondContact O-N 3Å; C485-R487 VanDerWaalsContact SG-CB 3.52Å; C485-H498 PolarHBondContact SG-NE2 3.17Å; C485-H502 VanDerWaalsContact SG-CE1 3.55Å; C485-H502 PolarHBondContact SG-NE2 2.96Å
486G77.9Confident79.5Confident54 Ų5473 Ų7356%0.55740%0.398SS*.  trans67.4-12.4-17700000115.7C482 G488C482-G486 WeakPolarHBondContact O-CA 3.32Å; C482-G486 PolarHBondContact O-N 2.89Å; G486-G488 PolarHBondContact O-N 3.14Å
487R77.6Confident79.6Confident161 Ų16174.8 Ų74.861%0.60839%0.393SS*.  trans-63.8123.8-170.3-170.6171.6-173149.47.8112.1C482 C485 F489C482-R487 WeakPolarHBondContact CB-O 3.07Å; C482-R487 PolarHBondContact N-O 3.35Å; C485-R487 PolarHBondContact O-N 3Å; C485-R487 VanDerWaalsContact SG-CB 3.52Å; R487-F489 HydrophobicContact CB-CE2 4.03Å; R487-F489 HydrophobicContact CB-CZ 4.47Å; R487-F489 HydrophobicContact CG-CE2 3.82Å; R487-F489 HydrophobicContact CG-CZ 3.93Å; R487-F489 VanDerWaalsContact O-CD2 3.31Å; R487-F489 WeakPolarHBondContact O-CD2 3.34Å; R487-F489 WeakPolarHBondContact O-CE2 3.27Å
488G79.2Confident80Confident17 Ų1770.4 Ų70.418%0.17537%0.373CS..EExtended strand (participates in β ladder)trans-88145.4179.700000114.8G486G486-G488 PolarHBondContact O-N 3.14Å
489F79.1Confident80Confident36 Ų3669.4 Ų69.416%0.15837%0.369CS..EExtended strand (participates in β ladder)trans-129.8147.2178.2-62.9-95.2000111.3K478 P479 H480 C482 R487 N491 N494 L495 H498K478-F489 CarbonylContact C-O 3.52Å; P479-F489 WeakPolarHBondContact CD-O 3.31Å; H480-F489 HydrophobicContact CB-CB 4.4Å; H480-F489 WeakPolarHBondContact CB-O 3.35Å; H480-F489 PolarHBondContact N-O 3.3Å; H480-F489 VanDerWaalsContact N-O 3.1Å; H480-F489 PolarHBondContact O-N 3.1Å; C482-F489 HydrophobicContact CB-CE2 4.36Å; R487-F489 HydrophobicContact CB-CE2 4.03Å; R487-F489 HydrophobicContact CB-CZ 4.47Å; R487-F489 HydrophobicContact CG-CE2 3.82Å; R487-F489 HydrophobicContact CG-CZ 3.93Å; R487-F489 VanDerWaalsContact O-CD2 3.31Å; R487-F489 WeakPolarHBondContact O-CD2 3.34Å; R487-F489 WeakPolarHBondContact O-CE2 3.27Å; F489-N491 VanDerWaalsContact C-N 3.34Å; F489-N494 HydrophobicContact CD1-CB 3.96Å; F489-L495 HydrophobicContact CB-CB 4.29Å; F489-L495 HydrophobicContact CD2-CB 4.2Å; F489-L495 HydrophobicContact CD2-CD1 4Å; F489-L495 HydrophobicContact CE2-CD1 4.34Å; F489-L495 HydrophobicContact CG-CB 4.32Å; F489-H498 HydrophobicContact CE1-CB 4.01Å; F489-H498 HydrophobicContact CE2-CB 4.03Å; F489-H498 AromaticContact CE2-CD2 3.18Å; F489-H498 WeakPolarHBondContact CE2-CD2 3.26Å; F489-H498 AromaticContact CE2-CG 3.78Å; F489-H498 AromaticContact CE2-NE2 3.97Å; F489-H498 HydrophobicContact CZ-CB 3.56Å; F489-H498 AromaticContact CZ-CD2 3.2Å; F489-H498 WeakPolarHBondContact CZ-CD2 3.4Å; F489-H498 AromaticContact CZ-CG 3.35Å; F489-H498 AromaticContact CZ-NE2 3.9Å
490S77.7Confident80.1Confident29 Ų2971.3 Ų71.320%0.20337%0.37CS..SBendtrans-74.5-21.4171.648.70000113.6
491N79.3Confident79.9Confident35 Ų3571.5 Ų71.519%0.18738%0.376CS..  trans-126131.4-174.4-55.8-9.3000111.4R469 H480 F489 S493 N494 L495R469-N491 VanDerWaalsContact CD-CG 3.49Å; R469-N491 WeakPolarHBondContact CD-OD1 3.47Å; R469-N491 WeakPolarHBondContact CG-OD1 3.37Å; H480-N491 VanDerWaalsContact CD2-C 3.44Å; F489-N491 VanDerWaalsContact C-N 3.34Å; N491-S493 VanDerWaalsContact C-N 3.28Å; N491-S493 PolarHBondContact O-N 2.71Å; N491-N494 HydrophobicContact CB-CB 4Å; N491-N494 VanDerWaalsContact CB-OD1 3.27Å; N491-N494 WeakPolarHBondContact CB-OD1 3.47Å; N491-N494 PolarHBondContact ND2-OD1 3.12Å; N491-N494 PolarHBondContact O-N 2.91Å; N491-N494 VanDerWaalsContact O-N 3.16Å; N491-L495 PolarHBondContact O-N 2.95Å
492F78.5Confident79.3Confident120 Ų12069.9 Ų69.953%0.52637%0.365SS..Hα-helixtrans-59.7-36.3172.3-175.1-100.8000112.9H480 N494 L495 K496H480-F492 PolarHBondContact CD2-N 3.03Å; H480-F492 AromaticContact ND1-CD2 3.97Å; H480-F492 PolarHBondContact NE2-N 3.07Å; F492-N494 VanDerWaalsContact C-N 3.34Å; F492-N494 PolarHBondContact O-N 3.25Å; F492-L495 HydrophobicContact CD2-CD2 4.36Å; F492-L495 WeakPolarHBondContact O-CB 3.2Å; F492-L495 PolarHBondContact O-N 2.88Å; F492-K496 PolarHBondContact O-N 3.47Å
493S79.7Confident78.5Confident90 Ų9072.8 Ų72.863%0.62938%0.383SS*.Hα-helixtrans-61.5-41.2176.1-52.20000112.3N491 K496 E497N491-S493 VanDerWaalsContact C-N 3.28Å; N491-S493 PolarHBondContact O-N 2.71Å; S493-K496 PolarHBondContact O-N 2.68Å; S493-E497 WeakPolarHBondContact O-CB 3.43Å; S493-E497 PolarHBondContact O-N 3.44Å
494N81.1Confident77.5Confident66 Ų6671.2 Ų71.235%0.35339%0.388SS..Hα-helixtrans-70-36.6177.2-60.737.5000110.7F489 N491 F492 E497 H498F489-N494 HydrophobicContact CD1-CB 3.96Å; N491-N494 HydrophobicContact CB-CB 4Å; N491-N494 VanDerWaalsContact CB-OD1 3.27Å; N491-N494 WeakPolarHBondContact CB-OD1 3.47Å; N491-N494 PolarHBondContact ND2-OD1 3.12Å; N491-N494 PolarHBondContact O-N 2.91Å; N491-N494 VanDerWaalsContact O-N 3.16Å; F492-N494 VanDerWaalsContact C-N 3.34Å; F492-N494 PolarHBondContact O-N 3.25Å; N494-E497 PolarHBondContact O-N 2.82Å; N494-H498 WeakPolarHBondContact O-CB 3.49Å; N494-H498 PolarHBondContact O-N 2.84Å
495L83.9Confident76.6Confident8 Ų870.6 Ų70.64%0.04239%0.386CS..Hα-helixtrans-61.7-43.8170.3171.762.8000111.4H480 L481 C482 F489 N491 F492 H498 K499H480-L495 HydrophobicContact CB-CB 4.08Å; H480-L495 HydrophobicContact CB-CD2 3.77Å; L481-L495 WeakPolarHBondContact O-CD1 3.27Å; L481-L495 WeakPolarHBondContact O-CD2 3.49Å; C482-L495 HydrophobicContact CB-CD1 3.61Å; F489-L495 HydrophobicContact CB-CB 4.29Å; F489-L495 HydrophobicContact CD2-CB 4.2Å; F489-L495 HydrophobicContact CD2-CD1 4Å; F489-L495 HydrophobicContact CE2-CD1 4.34Å; F489-L495 HydrophobicContact CG-CB 4.32Å; N491-L495 PolarHBondContact O-N 2.95Å; F492-L495 HydrophobicContact CD2-CD2 4.36Å; F492-L495 WeakPolarHBondContact O-CB 3.2Å; F492-L495 PolarHBondContact O-N 2.88Å; L495-H498 CarbonylContact O-C 3.56Å; L495-H498 PolarHBondContact O-N 2.97Å; L495-K499 HydrophobicContact CD1-CD 4.48Å; L495-K499 HydrophobicContact CD1-CG 4.13Å; L495-K499 PolarHBondContact O-N 3.28Å
496K81.1Confident75.7Confident134 Ų13474.7 Ų74.758%0.58340%0.396SS*.Hα-helixtrans-65.8-38.1178.6-173171.3-177.7173.60111.9F492 S493F492-K496 PolarHBondContact O-N 3.47Å; S493-K496 PolarHBondContact O-N 2.68Å
497E77.9Confident75.3Confident85 Ų8576.7 Ų76.740%0.39740%0.398SS..Hα-helixtrans-66.1-36.8171.6-175169.4-146.300111.8S493 N494 K500 M519S493-E497 WeakPolarHBondContact O-CB 3.43Å; S493-E497 PolarHBondContact O-N 3.44Å; N494-E497 PolarHBondContact O-N 2.82Å; E497-K500 WeakPolarHBondContact O-CB 3.24Å; E497-M519 HydrophobicContact CG-CE 3.81Å
498H81.9Confident74.9Confident31 Ų3172 Ų7214%0.14438%0.381CS..Hα-helixtrans-72.5-34.9174.6178.447.3000113.9C485 F489 N494 L495 K500 T501 H502C485-H498 PolarHBondContact SG-NE2 3.17Å; F489-H498 HydrophobicContact CE1-CB 4.01Å; F489-H498 HydrophobicContact CE2-CB 4.03Å; F489-H498 AromaticContact CE2-CD2 3.18Å; F489-H498 WeakPolarHBondContact CE2-CD2 3.26Å; F489-H498 AromaticContact CE2-CG 3.78Å; F489-H498 AromaticContact CE2-NE2 3.97Å; F489-H498 HydrophobicContact CZ-CB 3.56Å; F489-H498 AromaticContact CZ-CD2 3.2Å; F489-H498 WeakPolarHBondContact CZ-CD2 3.4Å; F489-H498 AromaticContact CZ-CG 3.35Å; F489-H498 AromaticContact CZ-NE2 3.9Å; N494-H498 WeakPolarHBondContact O-CB 3.49Å; N494-H498 PolarHBondContact O-N 2.84Å; L495-H498 CarbonylContact O-C 3.56Å; L495-H498 PolarHBondContact O-N 2.97Å; H498-K500 PolarHBondContact O-N 3.47Å; H498-T501 PolarHBondContact CE1-OG1 3.35Å; H498-T501 PolarHBondContact ND1-OG1 3.36Å; H498-T501 WeakPolarHBondContact O-CA 3.32Å; H498-T501 WeakPolarHBondContact O-CB 3.43Å; H498-T501 PolarHBondContact O-N 3.23Å; H498-T501 PolarHBondContact O-OG1 3.45Å; H498-H502 AromaticContact CD2-NE2 3.77Å; H498-H502 AromaticContact CE1-CE1 3.72Å; H498-H502 AromaticContact CE1-NE2 3.17Å; H498-H502 PolarHBondContact CE1-NE2 3.42Å; H498-H502 AromaticContact NE2-CD2 3.91Å; H498-H502 AromaticContact NE2-CE1 3.84Å; H498-H502 AromaticContact NE2-NE2 3Å; H498-H502 PolarHBondContact NE2-NE2 3.12Å
499K80.7Confident74.8Confident71 Ų7174.4 Ų74.431%0.30939%0.393SS..Hα-helixtrans-59.6-32.1175.3-78.6-174.5172-169.90111.7D483 L495 T501 H502 T503D483-K499 VanDerWaalsContact OD2-CE 3.27Å; D483-K499 WeakPolarHBondContact OD2-CE 3.45Å; D483-K499 IonicContact OD2-NZ 2.69Å; D483-K499 PolarHBondContact OD2-NZ 3.37Å; L495-K499 HydrophobicContact CD1-CD 4.48Å; L495-K499 HydrophobicContact CD1-CG 4.13Å; L495-K499 PolarHBondContact O-N 3.28Å; K499-T501 PolarHBondContact O-N 3.28Å; K499-T501 VanDerWaalsContact O-N 3.15Å; K499-H502 PolarHBondContact O-N 3.25Å; K499-T503 PolarHBondContact O-N 3Å; K499-T503 VanDerWaalsContact O-N 3.1Å; K499-T503 PolarHBondContact O-OG1 3.29Å
500K77.8Confident75Confident103 Ų10372.7 Ų72.745%0.44839%0.385SS..THydrogen-bonded Turntrans-68.92.5169.2-62.9-172.2170-1540115.5E497 H498E497-K500 WeakPolarHBondContact O-CB 3.24Å; H498-K500 PolarHBondContact O-N 3.47Å
501T75.1Confident75.1Confident64 Ų6477.6 Ų77.639%0.39341%0.409SS..THydrogen-bonded Turntrans-101.7-4.6168.378.60000112.5H498 K499 N518H498-T501 PolarHBondContact CE1-OG1 3.35Å; H498-T501 PolarHBondContact ND1-OG1 3.36Å; H498-T501 WeakPolarHBondContact O-CA 3.32Å; H498-T501 WeakPolarHBondContact O-CB 3.43Å; H498-T501 PolarHBondContact O-N 3.23Å; H498-T501 PolarHBondContact O-OG1 3.45Å; K499-T501 PolarHBondContact O-N 3.28Å; K499-T501 VanDerWaalsContact O-N 3.15Å; T501-N518 WeakPolarHBondContact CG2-ND2 3.45Å
502H72.1Confident75.2Confident67 Ų6779.9 Ų79.931%0.3142%0.419SS..THydrogen-bonded Turntrans-108.9-42.7175.6-62.1-60.2000111.8C482 I484 C485 H498 K499 A504C482-H502 VanDerWaalsContact SG-CD2 3.54Å; I484-H502 HydrophobicContact CB-CB 4.29Å; I484-H502 HydrophobicContact CD1-CB 3.58Å; I484-H502 HydrophobicContact CG2-CB 3.89Å; C485-H502 VanDerWaalsContact SG-CE1 3.55Å; C485-H502 PolarHBondContact SG-NE2 2.96Å; H498-H502 AromaticContact CD2-NE2 3.77Å; H498-H502 AromaticContact CE1-CE1 3.72Å; H498-H502 AromaticContact CE1-NE2 3.17Å; H498-H502 PolarHBondContact CE1-NE2 3.42Å; H498-H502 AromaticContact NE2-CD2 3.91Å; H498-H502 AromaticContact NE2-CE1 3.84Å; H498-H502 AromaticContact NE2-NE2 3Å; H498-H502 PolarHBondContact NE2-NE2 3.12Å; K499-H502 PolarHBondContact O-N 3.25Å; H502-A504 PolarHBondContact O-N 3.29Å
503T68Low75.4Confident62 Ų6276.7 Ų76.738%0.3841%0.411SS..SBendtrans-66.5130.5162.654.50000108.2K499 D505K499-T503 PolarHBondContact O-N 3Å; K499-T503 VanDerWaalsContact O-N 3.1Å; K499-T503 PolarHBondContact O-OG1 3.29Å; T503-D505 VanDerWaalsContact CB-OD2 3.24Å; T503-D505 WeakPolarHBondContact CB-OD2 3.36Å; T503-D505 PolarHBondContact O-N 3.13Å; T503-D505 PolarHBondContact OG1-OD2 3.3Å
504A61.2Low75.3Confident95 Ų9574.9 Ų74.979%0.78541%0.406SS*.  trans-76.535.4-177.600000112.8H502 K506H502-A504 PolarHBondContact O-N 3.29Å; A504-K506 PolarHBondContact O-N 3.48Å
505D59.7Low75.3Confident90 Ų9076.4 Ų76.448%0.48141%0.41SS..  trans-70.176.7-179.2-60.7-34.7000110.1T503 V507T503-D505 VanDerWaalsContact CB-OD2 3.24Å; T503-D505 WeakPolarHBondContact CB-OD2 3.36Å; T503-D505 PolarHBondContact O-N 3.13Å; T503-D505 PolarHBondContact OG1-OD2 3.3Å; D505-V507 HydrophobicContact CB-CG2 3.9Å; D505-V507 WeakPolarHBondContact O-CG2 3.49Å; D505-V507 PolarHBondContact O-N 3.29Å
506K61.3Low75Confident151 Ų15178.3 Ų78.366%0.65742%0.424SS*.  trans-70.967.4174.5-72.7-179.8169.8-175.70111.3A504A504-K506 PolarHBondContact O-N 3.48Å
507V68.2Low74.8Confident96 Ų9674.2 Ų74.258%0.58241%0.406SS*.  trans-89.9-0.5-174.2-148.90000114.3D505D505-V507 HydrophobicContact CB-CG2 3.9Å; D505-V507 WeakPolarHBondContact O-CG2 3.49Å; D505-V507 PolarHBondContact O-N 3.29Å
508F69.8Low74.7Confident61 Ų6173.5 Ų73.527%0.26841%0.405SS..EExtended strand (participates in β ladder)trans-134.478.5179-54-69.4000111.9F517 Q520 L523F508-F517 HydrophobicContact CB-CB 4.37Å; F508-F517 WeakPolarHBondContact CB-O 3.1Å; F508-F517 PolarHBondContact N-O 2.83Å; F508-F517 PolarHBondContact O-N 2.92Å; F508-Q520 HydrophobicContact CD1-CB 3.84Å; F508-Q520 HydrophobicContact CD1-CG 4.37Å; F508-Q520 HydrophobicContact CD2-CB 4.43Å; F508-Q520 HydrophobicContact CE1-CB 3.73Å; F508-Q520 HydrophobicContact CE1-CG 4.31Å; F508-Q520 HydrophobicContact CE2-CB 4.31Å; F508-Q520 HydrophobicContact CG-CB 4.2Å; F508-Q520 HydrophobicContact CZ-CB 3.97Å; F508-L523 HydrophobicContact CB-CB 4.12Å; F508-L523 HydrophobicContact CB-CD2 3.82Å
509T76.4Confident74.4Confident68 Ų6873.8 Ų73.842%0.41741%0.407SS..EExtended strand (participates in β ladder)trans-74.9146.8169.540.30000112L523T509-L523 WeakPolarHBondContact O-CD2 3.42Å
510C83.1Confident74.3Confident0 Ų074.9 Ų74.90%041%0.413CS..  trans-91.1113.4165.1-170.30000109.4E512 C513 G514 K515 F517 L523 H526 H530C510-E512 PolarHBondContact O-N 2.98Å; C510-C513 PolarHBondContact O-N 2.99Å; C510-G514 WeakPolarHBondContact O-CA 3.38Å; C510-G514 PolarHBondContact O-N 3.17Å; C510-K515 PolarHBondContact N-O 3.16Å; C510-F517 HydrophobicContact CB-CE2 4.39Å; C510-L523 HydrophobicContact CB-CD1 3.51Å; C510-H526 PolarHBondContact SG-CD2 3.1Å; C510-H526 PolarHBondContact SG-NE2 2.9Å; C510-H526 VanDerWaalsContact SG-NE2 3.44Å; C510-H530 VanDerWaalsContact SG-CD2 3.57Å
511D80.3Confident74.4Confident132 Ų13278.2 Ų78.271%0.70642%0.423SS*.THydrogen-bonded Turntrans-61.7-30.7-177.3-41.2-61.2000111.4C513D511-C513 PolarHBondContact O-N 2.81Å
512E81Confident74.6Confident84 Ų8476.8 Ų76.839%0.39341%0.411SS..THydrogen-bonded Turntrans-77.1-14-177.2-60.5161.6-120.500113.6C510 R527 H530C510-E512 PolarHBondContact O-N 2.98Å; E512-R527 IonicContact OE1-CZ 3.3Å; E512-R527 VanDerWaalsContact OE1-CZ 3.24Å; E512-R527 IonicContact OE1-NE 2.85Å; E512-R527 PolarHBondContact OE1-NE 3.08Å; E512-R527 IonicContact OE1-NH2 2.67Å; E512-R527 PolarHBondContact OE1-NH2 3.32Å; E512-H530 HydrophobicContact CB-CB 4.5Å; E512-H530 WeakPolarHBondContact OE2-CB 3.46Å; E512-H530 IonicContact OE2-CD2 3.93Å; E512-H530 IonicContact OE2-CG 3.81Å
513C83.1Confident75.1Confident53 Ų5374.2 Ų74.236%0.35840%0.399SS..THydrogen-bonded Turntrans-157.417.1175.8830000116.8C510 D511 K515 H526 H530C510-C513 PolarHBondContact O-N 2.99Å; D511-C513 PolarHBondContact O-N 2.81Å; C513-K515 PolarHBondContact O-N 2.92Å; C513-H526 PolarHBondContact SG-NE2 2.81Å; C513-H530 PolarHBondContact SG-NE2 3.1Å
514G78.7Confident75.8Confident51 Ų5174.7 Ų74.753%0.52640%0.402SS..  trans67.3-11.8178.900000117.2C510 S516C510-G514 WeakPolarHBondContact O-CA 3.38Å; C510-G514 PolarHBondContact O-N 3.17Å; G514-S516 PolarHBondContact O-N 3.48Å
515K79.2Confident76.7Confident98 Ų9876.9 Ų76.943%0.42639%0.394SS..  trans-62.8121.6-174.9-73.4-177.5178.2-1780110.7C510 C513 F517 D616C510-K515 PolarHBondContact N-O 3.16Å; C513-K515 PolarHBondContact O-N 2.92Å; K515-F517 HydrophobicContact CB-CE2 3.94Å; K515-F517 HydrophobicContact CB-CZ 4.15Å; K515-F517 WeakPolarHBondContact O-CD2 3.41Å; K515-F517 VanDerWaalsContact O-CE2 3.26Å; K515-F517 WeakPolarHBondContact O-CE2 3.45Å; K515-D616 IonicContact NZ-OD1 2.95Å; K515-D616 PolarHBondContact NZ-OD1 3.03Å
516S77.8Confident77.9Confident48 Ų4873.3 Ų73.334%0.33637%0.374SS..EExtended strand (participates in β ladder)trans-92.7139-178.3-27.60000111.7G514G514-S516 PolarHBondContact O-N 3.48Å
517F77.9Confident78.8Confident48 Ų4871.1 Ų71.121%0.21136%0.362CS..EExtended strand (participates in β ladder)trans-123.6147.5178.7-60.5-90.2000111.2F508 C510 K515 M519 K522 L523 H526F508-F517 HydrophobicContact CB-CB 4.37Å; F508-F517 WeakPolarHBondContact CB-O 3.1Å; F508-F517 PolarHBondContact N-O 2.83Å; F508-F517 PolarHBondContact O-N 2.92Å; C510-F517 HydrophobicContact CB-CE2 4.39Å; K515-F517 HydrophobicContact CB-CE2 3.94Å; K515-F517 HydrophobicContact CB-CZ 4.15Å; K515-F517 WeakPolarHBondContact O-CD2 3.41Å; K515-F517 VanDerWaalsContact O-CE2 3.26Å; K515-F517 WeakPolarHBondContact O-CE2 3.45Å; F517-M519 VanDerWaalsContact C-N 3.27Å; F517-K522 HydrophobicContact CD1-CB 4.06Å; F517-L523 HydrophobicContact CB-CB 4.27Å; F517-L523 HydrophobicContact CD2-CB 3.93Å; F517-L523 HydrophobicContact CD2-CD1 3.84Å; F517-L523 HydrophobicContact CD2-CG 4.47Å; F517-L523 HydrophobicContact CE2-CD1 4.03Å; F517-L523 HydrophobicContact CG-CB 4.25Å; F517-H526 HydrophobicContact CE1-CB 4.2Å; F517-H526 HydrophobicContact CE2-CB 4.01Å; F517-H526 AromaticContact CE2-CD2 3.3Å; F517-H526 WeakPolarHBondContact CE2-CD2 3.09Å; F517-H526 AromaticContact CE2-CG 3.67Å; F517-H526 AromaticContact CE2-NE2 3.9Å; F517-H526 HydrophobicContact CZ-CB 3.61Å; F517-H526 AromaticContact CZ-CD2 3.47Å; F517-H526 VanDerWaalsContact CZ-CD2 3.47Å; F517-H526 WeakPolarHBondContact CZ-CD2 3.45Å; F517-H526 AromaticContact CZ-CG 3.34Å; F517-H526 AromaticContact CZ-ND1 3.82Å; F517-H526 AromaticContact CZ-NE2 3.97Å
518N74.9Confident79.5Confident70 Ų7068 Ų6837%0.37434%0.342SS..SBendtrans-80.5-5.2174.253.314.1000113.5T501T501-N518 WeakPolarHBondContact CG2-ND2 3.45Å
519M75.8Confident79.9Confident37 Ų3770.9 Ų70.918%0.18235%0.351CS..  trans-145.5126.8-176.4-58.4168.4-173.200111.6E497 F517 R521 K522 L523E497-M519 HydrophobicContact CG-CE 3.81Å; F517-M519 VanDerWaalsContact C-N 3.27Å; M519-R521 HydrophobicContact CB-CG 4.12Å; M519-R521 PolarHBondContact O-N 3.19Å; M519-R521 VanDerWaalsContact O-N 3.14Å; M519-K522 HydrophobicContact CB-CB 4.29Å; M519-K522 HydrophobicContact CB-CG 3.86Å; M519-K522 HydrophobicContact CG-CG 4.34Å; M519-K522 PolarHBondContact O-N 3.08Å; M519-K522 HydrophobicContact SD-CD 4.31Å; M519-K522 HydrophobicContact SD-CG 3.68Å; M519-L523 PolarHBondContact O-N 3.17Å; M519-L523 VanDerWaalsContact O-N 3.13Å
520Q78.9Confident80Confident95 Ų9571 Ų7144%0.44435%0.347SS..Hα-helixtrans-52.9-37.6174.4-17863-25.300112.8F508 K522 L523 V524F508-Q520 HydrophobicContact CD1-CB 3.84Å; F508-Q520 HydrophobicContact CD1-CG 4.37Å; F508-Q520 HydrophobicContact CD2-CB 4.43Å; F508-Q520 HydrophobicContact CE1-CB 3.73Å; F508-Q520 HydrophobicContact CE1-CG 4.31Å; F508-Q520 HydrophobicContact CE2-CB 4.31Å; F508-Q520 HydrophobicContact CG-CB 4.2Å; F508-Q520 HydrophobicContact CZ-CB 3.97Å; Q520-K522 VanDerWaalsContact C-N 3.25Å; Q520-K522 PolarHBondContact O-N 3.02Å; Q520-L523 PolarHBondContact O-N 3.12Å; Q520-V524 HydrophobicContact CG-CG2 4.39Å; Q520-V524 WeakPolarHBondContact O-CG2 3.48Å; Q520-V524 PolarHBondContact O-N 3.24Å
521R79.4Confident79.7Confident173 Ų17374.3 Ų74.365%0.65337%0.367SS*.Hα-helixtrans-67.5-20.417876.3-177.6-57.4176.36114.7M519 K525M519-R521 HydrophobicContact CB-CG 4.12Å; M519-R521 PolarHBondContact O-N 3.19Å; M519-R521 VanDerWaalsContact O-N 3.14Å; R521-K525 WeakPolarHBondContact O-CG 3.37Å
522K80.3Confident79.4Confident34 Ų3470.4 Ų70.415%0.14836%0.358CS..Hα-helixtrans-88.8-36.8174-56.6-78-165.7-178.20109.1F517 M519 Q520 K525 H526 D610 S612F517-K522 HydrophobicContact CD1-CB 4.06Å; M519-K522 HydrophobicContact CB-CB 4.29Å; M519-K522 HydrophobicContact CB-CG 3.86Å; M519-K522 HydrophobicContact CG-CG 4.34Å; M519-K522 PolarHBondContact O-N 3.08Å; M519-K522 HydrophobicContact SD-CD 4.31Å; M519-K522 HydrophobicContact SD-CG 3.68Å; Q520-K522 VanDerWaalsContact C-N 3.25Å; Q520-K522 PolarHBondContact O-N 3.02Å; K522-K525 PolarHBondContact O-N 3.27Å; K522-H526 WeakPolarHBondContact O-CB 3.4Å; K522-H526 PolarHBondContact O-N 3.16Å; K522-D610 IonicContact NZ-OD1 2.76Å; K522-D610 PolarHBondContact NZ-OD1 3.25Å; K522-D610 IonicContact NZ-OD2 2.71Å; K522-D610 PolarHBondContact NZ-OD2 2.8Å; K522-S612 PolarHBondContact NZ-OG 3.18Å
523L83.1Confident79.1Confident12 Ų1271.8 Ų71.86%0.06336%0.364CS..Hα-helixtrans-59.5-50.8169.8173.758.8000112.4F508 T509 C510 F517 M519 Q520 K525 H526 R527F508-L523 HydrophobicContact CB-CB 4.12Å; F508-L523 HydrophobicContact CB-CD2 3.82Å; T509-L523 WeakPolarHBondContact O-CD2 3.42Å; C510-L523 HydrophobicContact CB-CD1 3.51Å; F517-L523 HydrophobicContact CB-CB 4.27Å; F517-L523 HydrophobicContact CD2-CB 3.93Å; F517-L523 HydrophobicContact CD2-CD1 3.84Å; F517-L523 HydrophobicContact CD2-CG 4.47Å; F517-L523 HydrophobicContact CE2-CD1 4.03Å; F517-L523 HydrophobicContact CG-CB 4.25Å; M519-L523 PolarHBondContact O-N 3.17Å; M519-L523 VanDerWaalsContact O-N 3.13Å; Q520-L523 PolarHBondContact O-N 3.12Å; L523-K525 VanDerWaalsContact C-N 3.32Å; L523-K525 PolarHBondContact O-N 3.22Å; L523-H526 CarbonylContact O-C 3.59Å; L523-H526 WeakPolarHBondContact O-CA 3.23Å; L523-H526 WeakPolarHBondContact O-CB 3.37Å; L523-H526 PolarHBondContact O-N 3.03Å; L523-R527 HydrophobicContact CD1-CG 3.93Å; L523-R527 HydrophobicContact CG-CG 4.39Å; L523-R527 PolarHBondContact O-N 3.11Å
524V82.1Confident78.8Confident72 Ų7275.8 Ų75.844%0.43637%0.372SS..Hα-helixtrans-58-44.7179.4171.60000111.3Q520 H526 R527 I528Q520-V524 HydrophobicContact CG-CG2 4.39Å; Q520-V524 WeakPolarHBondContact O-CG2 3.48Å; Q520-V524 PolarHBondContact O-N 3.24Å; V524-H526 PolarHBondContact O-N 3.3Å; V524-R527 PolarHBondContact O-N 3.18Å; V524-I528 HydrophobicContact CG1-CD1 4.47Å; V524-I528 WeakPolarHBondContact O-CG1 3.48Å; V524-I528 PolarHBondContact O-N 2.93Å
525K80.4Confident78.9Confident142 Ų14277.1 Ų77.162%0.61737%0.371SS*.Hα-helixtrans-61.1-26.6173.5-80.4-173.2170.3-165.40114R521 K522 L523R521-K525 WeakPolarHBondContact O-CG 3.37Å; K522-K525 PolarHBondContact O-N 3.27Å; L523-K525 VanDerWaalsContact C-N 3.32Å; L523-K525 PolarHBondContact O-N 3.22Å
526H83.6Confident79Confident14 Ų1477 Ų777%0.06537%0.369CS..Hα-helixtrans-82.4-38.9176.8167.571.9000111.9C510 C513 F517 K522 L523 V524 I528 R529 H530C510-H526 PolarHBondContact SG-CD2 3.1Å; C510-H526 PolarHBondContact SG-NE2 2.9Å; C510-H526 VanDerWaalsContact SG-NE2 3.44Å; C513-H526 PolarHBondContact SG-NE2 2.81Å; F517-H526 HydrophobicContact CE1-CB 4.2Å; F517-H526 HydrophobicContact CE2-CB 4.01Å; F517-H526 AromaticContact CE2-CD2 3.3Å; F517-H526 WeakPolarHBondContact CE2-CD2 3.09Å; F517-H526 AromaticContact CE2-CG 3.67Å; F517-H526 AromaticContact CE2-NE2 3.9Å; F517-H526 HydrophobicContact CZ-CB 3.61Å; F517-H526 AromaticContact CZ-CD2 3.47Å; F517-H526 VanDerWaalsContact CZ-CD2 3.47Å; F517-H526 WeakPolarHBondContact CZ-CD2 3.45Å; F517-H526 AromaticContact CZ-CG 3.34Å; F517-H526 AromaticContact CZ-ND1 3.82Å; F517-H526 AromaticContact CZ-NE2 3.97Å; K522-H526 WeakPolarHBondContact O-CB 3.4Å; K522-H526 PolarHBondContact O-N 3.16Å; L523-H526 CarbonylContact O-C 3.59Å; L523-H526 WeakPolarHBondContact O-CA 3.23Å; L523-H526 WeakPolarHBondContact O-CB 3.37Å; L523-H526 PolarHBondContact O-N 3.03Å; V524-H526 PolarHBondContact O-N 3.3Å; H526-I528 VanDerWaalsContact C-N 3.32Å; H526-I528 PolarHBondContact O-N 3.14Å; H526-R529 WeakPolarHBondContact O-CB 3.25Å; H526-R529 PolarHBondContact O-N 2.95Å; H526-H530 AromaticContact CE1-NE2 3.38Å; H526-H530 PolarHBondContact CE1-NE2 2.84Å; H526-H530 AromaticContact NE2-CD2 3.88Å; H526-H530 AromaticContact NE2-NE2 3.17Å; H526-H530 PolarHBondContact NE2-NE2 2.98Å; H526-H530 VanDerWaalsContact NE2-NE2 3.17Å
527R81.4Confident79.3Confident105 Ų10578.4 Ų78.440%0.39638%0.379SS..Hα-helixtrans-61.4-36.8174.2-69-169.767.1-154.5-6.9113E512 L523 V524 R529 H530 T531E512-R527 IonicContact OE1-CZ 3.3Å; E512-R527 VanDerWaalsContact OE1-CZ 3.24Å; E512-R527 IonicContact OE1-NE 2.85Å; E512-R527 PolarHBondContact OE1-NE 3.08Å; E512-R527 IonicContact OE1-NH2 2.67Å; E512-R527 PolarHBondContact OE1-NH2 3.32Å; L523-R527 HydrophobicContact CD1-CG 3.93Å; L523-R527 HydrophobicContact CG-CG 4.39Å; L523-R527 PolarHBondContact O-N 3.11Å; V524-R527 PolarHBondContact O-N 3.18Å; R527-R529 PolarHBondContact O-N 2.91Å; R527-H530 PolarHBondContact O-N 3.11Å; R527-T531 PolarHBondContact O-N 3.42Å; R527-T531 PolarHBondContact O-OG1 3.05Å
528I82.3Confident79.8Confident30 Ų3076.3 Ų76.315%0.15437%0.37CS..Hα-helixtrans-54.4-23.9171.7-66.7170.1000112.4V524 H526 E533 A546V524-I528 HydrophobicContact CG1-CD1 4.47Å; V524-I528 WeakPolarHBondContact O-CG1 3.48Å; V524-I528 PolarHBondContact O-N 2.93Å; H526-I528 VanDerWaalsContact C-N 3.32Å; H526-I528 PolarHBondContact O-N 3.14Å; I528-E533 WeakPolarHBondContact CG2-O 3.35Å; I528-A546 HydrophobicContact CG2-CB 3.7Å
529R78.5Confident80.3Confident122 Ų12279.1 Ų79.146%0.4640%0.395SS..Hα-helixtrans-76.2-32174.7-172.7169.972-174.322.1113.4H526 R527 D616H526-R529 WeakPolarHBondContact O-CB 3.25Å; H526-R529 PolarHBondContact O-N 2.95Å; R527-R529 PolarHBondContact O-N 2.91Å; R529-D616 IonicContact CZ-OD1 3.7Å; R529-D616 IonicContact CZ-OD2 3.38Å; R529-D616 IonicContact NH1-OD1 2.75Å; R529-D616 IonicContact NH1-OD2 3.8Å; R529-D616 PolarHBondContact NH1-OD2 3.2Å; R529-D616 IonicContact NH2-OD1 3.19Å; R529-D616 PolarHBondContact NH2-OD1 2.94Å; R529-D616 IonicContact NH2-OD2 3.2Å; R529-D616 PolarHBondContact NH2-OD2 2.98Å
530H77.9Confident80.6Confident72 Ų7280.6 Ų80.633%0.33341%0.413SS..Hα-helixtrans-84.5-43.6-178.5-64.2-55.3000111.4C510 E512 C513 H526 R527 G532C510-H530 VanDerWaalsContact SG-CD2 3.57Å; E512-H530 HydrophobicContact CB-CB 4.5Å; E512-H530 WeakPolarHBondContact OE2-CB 3.46Å; E512-H530 IonicContact OE2-CD2 3.93Å; E512-H530 IonicContact OE2-CG 3.81Å; C513-H530 PolarHBondContact SG-NE2 3.1Å; H526-H530 AromaticContact CE1-NE2 3.38Å; H526-H530 PolarHBondContact CE1-NE2 2.84Å; H526-H530 AromaticContact NE2-CD2 3.88Å; H526-H530 AromaticContact NE2-NE2 3.17Å; H526-H530 PolarHBondContact NE2-NE2 2.98Å; H526-H530 VanDerWaalsContact NE2-NE2 3.17Å; R527-H530 PolarHBondContact O-N 3.11Å; H530-G532 PolarHBondContact O-N 3.14Å; H530-G532 VanDerWaalsContact O-N 3.14Å
531T76.9Confident80.9Confident68 Ų6878.2 Ų78.242%0.41741%0.406SS..SBendtrans-65.9-14174.861.40000113.3R527 E533R527-T531 PolarHBondContact O-N 3.42Å; R527-T531 PolarHBondContact O-OG1 3.05Å; T531-E533 PolarHBondContact O-N 3.38Å; T531-E533 VanDerWaalsContact O-N 3.11Å
532G73.4Confident81Confident51 Ų5172.7 Ų72.753%0.52640%0.403SS..  trans69.12.8-17700000114H530 R534H530-G532 PolarHBondContact O-N 3.14Å; H530-G532 VanDerWaalsContact O-N 3.14Å; G532-R534 WeakPolarHBondContact O-CG 3.49Å
533E74.7Confident81.3Confident112 Ų11277 Ų7752%0.52342%0.422SS..  trans-61.2137.1178.3-73.6178.1-170.800111.1I528 T531I528-E533 WeakPolarHBondContact CG2-O 3.35Å; T531-E533 PolarHBondContact O-N 3.38Å; T531-E533 VanDerWaalsContact O-N 3.11Å
534R78.2Confident81.4Confident137 Ų13778.4 Ų78.452%0.51743%0.432SS..  trans-133.373.3-179.2-65.3172.282.8100-0.6109.4G532 Y536 S544 F545G532-R534 WeakPolarHBondContact O-CG 3.49Å; R534-Y536 PolarHBondContact O-N 3.37Å; R534-S544 VanDerWaalsContact CB-CB 3.5Å; R534-S544 PolarHBondContact NE-O 3.15Å; R534-S544 PolarHBondContact NH2-O 3.35Å; R534-S544 WeakPolarHBondContact O-CB 3.34Å; R534-F545 CarbonylContact C-O 3.56Å; R534-F545 VanDerWaalsContact C-O 3.25Å; R534-F545 WeakPolarHBondContact CA-O 3.31Å
535P80.2Confident81.4Confident79 Ų7976.7 Ų76.751%0.51342%0.419SS..  trans-65.7-4-168.1-22.435.1000115.6
536Y80.6Confident81.4Confident97 Ų9772 Ų7238%0.3841%0.407SS..EExtended strand (participates in β ladder)trans-118.285.9-174.8-57.3-69.1000110.4R534 S544 F545 G547R534-Y536 PolarHBondContact O-N 3.37Å; Y536-S544 CarbonylContact O-C 3.34Å; Y536-S544 WeakPolarHBondContact O-CA 3.35Å; Y536-F545 WeakPolarHBondContact CB-O 3.38Å; Y536-F545 PolarHBondContact N-O 3.16Å; Y536-F545 PolarHBondContact O-N 2.99Å; Y536-G547 VanDerWaalsContact CD2-C 3.42Å
537S85.9Confident81.4Confident77 Ų7772 Ų7254%0.53841%0.41SS..EExtended strand (participates in β ladder)trans-76.5148174.652.90000112.7L551S537-L551 WeakPolarHBondContact O-CD1 3.44Å; S537-L551 WeakPolarHBondContact O-CD2 3.5Å
538C88.3Confident81.5Confident4 Ų469.9 Ų69.93%0.02741%0.411CS..  trans-96.4113.7172.1-1690000110.2A540 C541 G542 K543 L551C538-A540 PolarHBondContact O-N 3.37Å; C538-C541 PolarHBondContact O-N 3.24Å; C538-G542 WeakPolarHBondContact O-CA 3.3Å; C538-G542 PolarHBondContact O-N 2.99Å; C538-K543 VanDerWaalsContact CB-O 3.25Å; C538-K543 WeakPolarHBondContact CB-O 3.49Å; C538-K543 PolarHBondContact N-O 3.03Å; C538-L551 HydrophobicContact CB-CD1 3.55Å
539S83.9Confident81.5Confident129 Ų12970.5 Ų70.590%0.90243%0.426SS*.THydrogen-bonded Turntrans-56.9-31.7178.848.60000113.7C541S539-C541 PolarHBondContact O-N 3.39Å
540A82.6Confident81.8Confident67 Ų6767.8 Ų67.855%0.55442%0.42SS*.THydrogen-bonded Turntrans-77.8-12.3-17700000115C538C538-A540 PolarHBondContact O-N 3.37Å
541C84.9Confident82.2Confident45 Ų4565.9 Ų65.930%0.30441%0.412SS..THydrogen-bonded Turntrans-158.610.4-176.3700000116C538 S539 K543 H554 H558C538-C541 PolarHBondContact O-N 3.24Å; S539-C541 PolarHBondContact O-N 3.39Å; C541-K543 PolarHBondContact O-N 2.82Å; C541-H554 PolarHBondContact SG-NE2 3.43Å; C541-H558 WeakPolarHBondContact CB-NE2 3.41Å; C541-H558 PolarHBondContact SG-NE2 3.45Å; C541-H558 VanDerWaalsContact SG-NE2 3.4Å
542G82.6Confident82.6Confident57 Ų5770.9 Ų70.959%0.58842%0.423SS*.  trans69.5-13.3-178.200000116C538 S544C538-G542 WeakPolarHBondContact O-CA 3.3Å; C538-G542 PolarHBondContact O-N 2.99Å; G542-S544 PolarHBondContact O-N 2.95Å; G542-S544 PolarHBondContact O-OG 3.35Å
543K84.9Confident83.2Confident126 Ų12673 Ų7355%0.54842%0.415SS..  trans-64.4120.3-175-67.4178-178.5176.50111.2C538 C541 F545C538-K543 VanDerWaalsContact CB-O 3.25Å; C538-K543 WeakPolarHBondContact CB-O 3.49Å; C538-K543 PolarHBondContact N-O 3.03Å; C541-K543 PolarHBondContact O-N 2.82Å; K543-F545 HydrophobicContact CB-CE2 3.97Å; K543-F545 HydrophobicContact CB-CZ 4.22Å; K543-F545 WeakPolarHBondContact O-CD2 3.44Å; K543-F545 WeakPolarHBondContact O-CE2 3.19Å
544S85.5Confident83.7Confident40 Ų4068.8 Ų68.828%0.2840%0.396SS..EExtended strand (participates in β ladder)trans-94.6155.4179.1-58.30000113R534 Y536 G542R534-S544 VanDerWaalsContact CB-CB 3.5Å; R534-S544 PolarHBondContact NE-O 3.15Å; R534-S544 PolarHBondContact NH2-O 3.35Å; R534-S544 WeakPolarHBondContact O-CB 3.34Å; Y536-S544 CarbonylContact O-C 3.34Å; Y536-S544 WeakPolarHBondContact O-CA 3.35Å; G542-S544 PolarHBondContact O-N 2.95Å; G542-S544 PolarHBondContact O-OG 3.35Å
545F83.4Confident84.1Confident37 Ų3765 Ų6516%0.16239%0.388CS..EExtended strand (participates in β ladder)trans-136.3147.5-177.3-62.8-91.6000112.2R534 Y536 K543 G547 D550 L551 H554R534-F545 CarbonylContact C-O 3.56Å; R534-F545 VanDerWaalsContact C-O 3.25Å; R534-F545 WeakPolarHBondContact CA-O 3.31Å; Y536-F545 WeakPolarHBondContact CB-O 3.38Å; Y536-F545 PolarHBondContact N-O 3.16Å; Y536-F545 PolarHBondContact O-N 2.99Å; K543-F545 HydrophobicContact CB-CE2 3.97Å; K543-F545 HydrophobicContact CB-CZ 4.22Å; K543-F545 WeakPolarHBondContact O-CD2 3.44Å; K543-F545 WeakPolarHBondContact O-CE2 3.19Å; F545-G547 PolarHBondContact O-N 3.19Å; F545-D550 HydrophobicContact CB-CB 4.36Å; F545-D550 HydrophobicContact CD1-CB 4.02Å; F545-D550 HydrophobicContact CG-CB 4.45Å; F545-L551 HydrophobicContact CB-CB 4.3Å; F545-L551 HydrophobicContact CD2-CB 4.06Å; F545-L551 HydrophobicContact CD2-CD1 4.03Å; F545-L551 HydrophobicContact CE2-CD1 4.36Å; F545-L551 HydrophobicContact CG-CB 4.35Å; F545-H554 HydrophobicContact CE1-CB 4.15Å; F545-H554 HydrophobicContact CE2-CB 3.93Å; F545-H554 AromaticContact CE2-CD2 3.27Å; F545-H554 WeakPolarHBondContact CE2-CD2 3.32Å; F545-H554 AromaticContact CE2-CG 3.81Å; F545-H554 HydrophobicContact CZ-CB 3.57Å; F545-H554 AromaticContact CZ-CD2 3.3Å; F545-H554 WeakPolarHBondContact CZ-CD2 3.42Å; F545-H554 AromaticContact CZ-CG 3.45Å; F545-H554 VanDerWaalsContact CZ-CG 3.45Å
546A80.2Confident84.4Confident44 Ų4464 Ų6436%0.36437%0.374SS..SBendtrans-72.4-8.4173.500000113.8I528I528-A546 HydrophobicContact CG2-CB 3.7Å
547G82.9Confident84.5Confident12 Ų1263.5 Ų63.512%0.12438%0.381CS..  trans-148.4134.7-176.900000113.5Y536 F545 G549 D550 L551Y536-G547 VanDerWaalsContact CD2-C 3.42Å; F545-G547 PolarHBondContact O-N 3.19Å; G547-G549 PolarHBondContact O-N 3.19Å; G547-D550 WeakPolarHBondContact O-CA 3.15Å; G547-D550 WeakPolarHBondContact O-CB 3.26Å; G547-D550 PolarHBondContact O-N 3.44Å; G547-L551 PolarHBondContact O-N 3.1Å
548S83.1Confident84.4Confident61 Ų6164.7 Ų64.743%0.42738%0.378SS..Hα-helixtrans-61.2-28.2178.355.80000113.8D550 R552S548-D550 VanDerWaalsContact C-N 3.33Å; S548-R552 WeakPolarHBondContact O-CB 3.24Å; S548-R552 PolarHBondContact O-N 3.07Å
549G83.6Confident84.1Confident44 Ų4468.2 Ų68.245%0.45440%0.399SS..Hα-helixtrans-72.7-23.817300000113.9G547 R553G547-G549 PolarHBondContact O-N 3.19Å; G549-R553 WeakPolarHBondContact O-CB 3.4Å; G549-R553 PolarHBondContact O-N 3.49Å
550D83.9Confident83.9Confident65 Ų6564.3 Ų64.335%0.34838%0.379SS..Hα-helixtrans-84.1-42.2174.5-58.5-79.2000110.4F545 G547 S548 R552 R553 H554F545-D550 HydrophobicContact CB-CB 4.36Å; F545-D550 HydrophobicContact CD1-CB 4.02Å; F545-D550 HydrophobicContact CG-CB 4.45Å; G547-D550 WeakPolarHBondContact O-CA 3.15Å; G547-D550 WeakPolarHBondContact O-CB 3.26Å; G547-D550 PolarHBondContact O-N 3.44Å; S548-D550 VanDerWaalsContact C-N 3.33Å; D550-R552 PolarHBondContact O-N 3.21Å; D550-R553 WeakPolarHBondContact O-CB 3.44Å; D550-R553 PolarHBondContact O-N 3.4Å; D550-R553 IonicContact OD1-CZ 3.74Å; D550-R553 IonicContact OD1-NH1 2.86Å; D550-R553 PolarHBondContact OD1-NH1 3.4Å; D550-R553 IonicContact OD1-NH2 3.24Å; D550-R553 PolarHBondContact OD1-NH2 3.16Å; D550-H554 PolarHBondContact O-N 3.18Å
551L87.3Confident83.9Confident31 Ų3165.3 Ų65.316%0.16237%0.373CS..Hα-helixtrans-54.4-51.6167.4171.961.2000111.2S537 C538 F545 G547 R553 H554 V555S537-L551 WeakPolarHBondContact O-CD1 3.44Å; S537-L551 WeakPolarHBondContact O-CD2 3.5Å; C538-L551 HydrophobicContact CB-CD1 3.55Å; F545-L551 HydrophobicContact CB-CB 4.3Å; F545-L551 HydrophobicContact CD2-CB 4.06Å; F545-L551 HydrophobicContact CD2-CD1 4.03Å; F545-L551 HydrophobicContact CE2-CD1 4.36Å; F545-L551 HydrophobicContact CG-CB 4.35Å; G547-L551 PolarHBondContact O-N 3.1Å; L551-R553 PolarHBondContact O-N 2.88Å; L551-H554 CarbonylContact O-C 3.25Å; L551-H554 WeakPolarHBondContact O-CA 3.23Å; L551-H554 WeakPolarHBondContact O-CB 3.47Å; L551-H554 PolarHBondContact O-N 3.41Å; L551-V555 HydrophobicContact CD1-CG2 4.07Å; L551-V555 HydrophobicContact CG-CG2 4.46Å; L551-V555 WeakPolarHBondContact O-CG2 3.26Å; L551-V555 PolarHBondContact O-N 3.43Å
552R84.4Confident83.8Confident173 Ų17369 Ų6965%0.65338%0.384SS*.Hα-helixtrans-61.3-32179-170.6-178.6-63172.2-0.2112.8S548 D550S548-R552 WeakPolarHBondContact O-CB 3.24Å; S548-R552 PolarHBondContact O-N 3.07Å; D550-R552 PolarHBondContact O-N 3.21Å
553R85.4Confident83.9Confident95 Ų9569.8 Ų69.836%0.35838%0.378SS..Hα-helixtrans-70.8-35.2173.8-168-166.9-50124.115.6111.6G549 D550 L551 R575G549-R553 WeakPolarHBondContact O-CB 3.4Å; G549-R553 PolarHBondContact O-N 3.49Å; D550-R553 WeakPolarHBondContact O-CB 3.44Å; D550-R553 PolarHBondContact O-N 3.4Å; D550-R553 IonicContact OD1-CZ 3.74Å; D550-R553 IonicContact OD1-NH1 2.86Å; D550-R553 PolarHBondContact OD1-NH1 3.4Å; D550-R553 IonicContact OD1-NH2 3.24Å; D550-R553 PolarHBondContact OD1-NH2 3.16Å; L551-R553 PolarHBondContact O-N 2.88Å; R553-R575 HydrophobicContact CG-CG 4.39Å
554H86.6Confident83.9Confident25 Ų2567.5 Ų67.512%0.11637%0.367CS..Hα-helixtrans-74.1-37.1176.6178.942.7000113C541 F545 D550 L551 R556 T557 H558C541-H554 PolarHBondContact SG-NE2 3.43Å; F545-H554 HydrophobicContact CE1-CB 4.15Å; F545-H554 HydrophobicContact CE2-CB 3.93Å; F545-H554 AromaticContact CE2-CD2 3.27Å; F545-H554 WeakPolarHBondContact CE2-CD2 3.32Å; F545-H554 AromaticContact CE2-CG 3.81Å; F545-H554 HydrophobicContact CZ-CB 3.57Å; F545-H554 AromaticContact CZ-CD2 3.3Å; F545-H554 WeakPolarHBondContact CZ-CD2 3.42Å; F545-H554 AromaticContact CZ-CG 3.45Å; F545-H554 VanDerWaalsContact CZ-CG 3.45Å; D550-H554 PolarHBondContact O-N 3.18Å; L551-H554 CarbonylContact O-C 3.25Å; L551-H554 WeakPolarHBondContact O-CA 3.23Å; L551-H554 WeakPolarHBondContact O-CB 3.47Å; L551-H554 PolarHBondContact O-N 3.41Å; H554-R556 PolarHBondContact O-N 2.97Å; H554-R556 VanDerWaalsContact O-N 3.13Å; H554-T557 PolarHBondContact CE1-OG1 3.33Å; H554-T557 PolarHBondContact ND1-OG1 3.47Å; H554-T557 WeakPolarHBondContact O-CB 3.38Å; H554-T557 PolarHBondContact O-N 3.04Å; H554-T557 PolarHBondContact O-OG1 3.29Å; H554-H558 AromaticContact CE1-NE2 3.85Å
555V85.8Confident83.9Confident57 Ų5769.2 Ų69.235%0.34538%0.375SS..Hα-helixtrans-55.5-34.7175.1171.70000111.4L551 T557 H558 T559L551-V555 HydrophobicContact CD1-CG2 4.07Å; L551-V555 HydrophobicContact CG-CG2 4.46Å; L551-V555 WeakPolarHBondContact O-CG2 3.26Å; L551-V555 PolarHBondContact O-N 3.43Å; V555-T557 PolarHBondContact O-N 3.12Å; V555-H558 WeakPolarHBondContact O-CA 3.35Å; V555-H558 WeakPolarHBondContact O-CB 3.37Å; V555-H558 PolarHBondContact O-N 2.95Å; V555-T559 HydrophobicContact CG1-CG2 4.27Å; V555-T559 PolarHBondContact O-N 3.3Å
556R86.3Confident84.2Confident59 Ų5967.4 Ų67.422%0.22337%0.368CS..Hα-helixtrans-65.6-15.8173-63.1-171.7-172.2131.92.1115.7H554 H558 T559 G560 E561H554-R556 PolarHBondContact O-N 2.97Å; H554-R556 VanDerWaalsContact O-N 3.13Å; R556-H558 VanDerWaalsContact C-N 3.27Å; R556-T559 WeakPolarHBondContact CA-OG1 3.25Å; R556-G560 PolarHBondContact O-N 3.01Å; R556-E561 HydrophobicContact CB-CB 4.24Å; R556-E561 HydrophobicContact CG-CB 4.07Å; R556-E561 IonicContact NE-OE2 3.12Å
557T83.6Confident84.4Confident85 Ų8571.5 Ų71.552%0.52138%0.379SS..Hα-helixtrans-79.1-14.7169.866.10000112.3H554 V555H554-T557 PolarHBondContact CE1-OG1 3.33Å; H554-T557 PolarHBondContact ND1-OG1 3.47Å; H554-T557 WeakPolarHBondContact O-CB 3.38Å; H554-T557 PolarHBondContact O-N 3.04Å; H554-T557 PolarHBondContact O-OG1 3.29Å; V555-T557 PolarHBondContact O-N 3.12Å
558H83.3Confident84.6Confident103 Ų10375.5 Ų75.548%0.47740%0.401SS..Hα-helixtrans-94.5-41.5172-57.1-58.9000112C541 H554 V555 R556 G560C541-H558 WeakPolarHBondContact CB-NE2 3.41Å; C541-H558 PolarHBondContact SG-NE2 3.45Å; C541-H558 VanDerWaalsContact SG-NE2 3.4Å; H554-H558 AromaticContact CE1-NE2 3.85Å; V555-H558 WeakPolarHBondContact O-CA 3.35Å; V555-H558 WeakPolarHBondContact O-CB 3.37Å; V555-H558 PolarHBondContact O-N 2.95Å; R556-H558 VanDerWaalsContact C-N 3.27Å; H558-G560 VanDerWaalsContact C-N 3.25Å; H558-G560 PolarHBondContact O-N 3.27Å
559T81.7Confident84.8Confident77 Ų7774.8 Ų74.847%0.47240%0.396SS..SBendtrans-78.4-5.9178.462.80000113.9V555 R556 E561V555-T559 HydrophobicContact CG1-CG2 4.27Å; V555-T559 PolarHBondContact O-N 3.3Å; R556-T559 WeakPolarHBondContact CA-OG1 3.25Å; T559-E561 WeakPolarHBondContact CB-OE1 3.41Å; T559-E561 PolarHBondContact O-N 3.41Å; T559-E561 VanDerWaalsContact OG1-CD 3.27Å; T559-E561 WeakPolarHBondContact OG1-CG 3.45Å; T559-E561 PolarHBondContact OG1-OE1 3.45Å
560G80.8Confident84.9Confident47 Ų4778.5 Ų78.549%0.48541%0.405SS..  trans69.2-3.4-178.700000115.2R556 H558 K562R556-G560 PolarHBondContact O-N 3.01Å; H558-G560 VanDerWaalsContact C-N 3.25Å; H558-G560 PolarHBondContact O-N 3.27Å; G560-K562 PolarHBondContact O-N 3Å
561E82.2Confident84.9Confident89 Ų8981.8 Ų81.842%0.41642%0.416SS..  trans-50.3120.3-177.1-80.9167.4-119.700112.8R556 T559 P563 T574R556-E561 HydrophobicContact CB-CB 4.24Å; R556-E561 HydrophobicContact CG-CB 4.07Å; R556-E561 IonicContact NE-OE2 3.12Å; T559-E561 WeakPolarHBondContact CB-OE1 3.41Å; T559-E561 PolarHBondContact O-N 3.41Å; T559-E561 VanDerWaalsContact OG1-CD 3.27Å; T559-E561 WeakPolarHBondContact OG1-CG 3.45Å; T559-E561 PolarHBondContact OG1-OE1 3.45Å; E561-P563 HydrophobicContact CB-CG 4.34Å; E561-P563 WeakPolarHBondContact O-CD 3.45Å; E561-T574 WeakPolarHBondContact O-CG2 3.46Å
562K82.7Confident84.8Confident123 Ų12383.1 Ų83.154%0.53543%0.427SS..  trans-119.769.6174.1-69.6160.8-177.5174.70111G560 Y564 C572 F573 T574G560-K562 PolarHBondContact O-N 3Å; K562-Y564 PolarHBondContact O-N 3.05Å; K562-C572 HydrophobicContact CB-CB 3.55Å; K562-C572 HydrophobicContact CD-CB 4.06Å; K562-C572 HydrophobicContact CG-CB 4.37Å; K562-F573 CarbonylContact C-O 3.54Å; K562-F573 VanDerWaalsContact CA-O 3.3Å; K562-F573 WeakPolarHBondContact CA-O 3.23Å; K562-T574 HydrophobicContact CG-CG2 3.81Å
563P84.4Confident84.8Confident73 Ų7376.8 Ų76.847%0.47441%0.405SS..  trans-72.33-169-16.232.6000115.3E561E561-P563 HydrophobicContact CB-CG 4.34Å; E561-P563 WeakPolarHBondContact O-CD 3.45Å
564Y84.9Confident84.8Confident78 Ų7874.6 Ų74.631%0.30640%0.402SS..EExtended strand (participates in β ladder)trans-119.286-174.3-56.7-72.1000109.4K562 F573 R575 S576K562-Y564 PolarHBondContact O-N 3.05Å; Y564-F573 WeakPolarHBondContact CB-O 3.43Å; Y564-F573 WeakPolarHBondContact CD2-O 3.3Å; Y564-F573 PolarHBondContact N-O 3.3Å; Y564-F573 WeakPolarHBondContact O-CD2 3.46Å; Y564-F573 PolarHBondContact O-N 2.69Å; Y564-R575 VanDerWaalsContact CD2-C 3.47Å; Y564-S576 VanDerWaalsContact CD2-N 3.27Å
565T85.1Confident84.7Confident75 Ų7578.9 Ų78.946%0.4642%0.417SS..EExtended strand (participates in β ladder)trans-73157.1172.750.40000111.2L579T565-L579 VanDerWaalsContact O-CD1 3.25Å; T565-L579 WeakPolarHBondContact O-CD1 3.39Å; T565-L579 WeakPolarHBondContact O-CD2 3.49Å
566C89.6Confident84.7Confident0 Ų078.8 Ų78.80%042%0.419CS..  trans-113.8106.3171.9-176.10000109.9T568 C569 N570 K571 F573 L579 H582C566-T568 PolarHBondContact O-N 3.41Å; C566-C569 PolarHBondContact O-N 3.16Å; C566-N570 VanDerWaalsContact O-CA 3.28Å; C566-N570 WeakPolarHBondContact O-CA 3.35Å; C566-N570 PolarHBondContact O-N 3.1Å; C566-K571 PolarHBondContact N-O 3.13Å; C566-F573 HydrophobicContact CB-CE2 4.25Å; C566-L579 HydrophobicContact CB-CD1 3.44Å; C566-L579 VanDerWaalsContact CB-CD1 3.44Å; C566-H582 VanDerWaalsContact SG-CD2 3.51Å
567E86Confident84.7Confident130 Ų13078.1 Ų78.161%0.60743%0.426SS*.THydrogen-bonded Turntrans-49.3-39.7-177.2-51.890.3-86.900112.8C569 K583E567-C569 VanDerWaalsContact C-N 3.27Å; E567-C569 PolarHBondContact O-N 3.41Å; E567-K583 WeakPolarHBondContact OE1-CE 3.49Å; E567-K583 IonicContact OE1-NZ 2.69Å; E567-K583 PolarHBondContact OE1-NZ 3.27Å; E567-K583 IonicContact OE2-NZ 2.71Å; E567-K583 PolarHBondContact OE2-NZ 3.01Å
568T85.3Confident84.9Confident95 Ų9576.5 Ų76.558%0.58342%0.416SS*.THydrogen-bonded Turntrans-63.5-20-177.2-33.40000115.5C566 H586C566-T568 PolarHBondContact O-N 3.41Å; T568-H586 HydrophobicContact CG2-CB 3.99Å
569C88Confident85.2Confident46 Ų4672.7 Ų72.731%0.31140%0.399SS..THydrogen-bonded Turntrans-156.214.8179.471.20000114.8C566 E567 K571 H582 H586C566-C569 PolarHBondContact O-N 3.16Å; E567-C569 VanDerWaalsContact C-N 3.27Å; E567-C569 PolarHBondContact O-N 3.41Å; C569-K571 PolarHBondContact O-N 2.87Å; C569-H582 PolarHBondContact SG-NE2 3.21Å; C569-H586 VanDerWaalsContact SG-CE1 3.57Å; C569-H586 PolarHBondContact SG-NE2 2.94Å; C569-H586 VanDerWaalsContact SG-NE2 3.37Å
570N85.3Confident85.4Confident123 Ų12376.7 Ų76.766%0.65841%0.405SS*.  trans52.811.1-178.8-63-46.1000117.6C566 C572C566-N570 VanDerWaalsContact O-CA 3.28Å; C566-N570 WeakPolarHBondContact O-CA 3.35Å; C566-N570 PolarHBondContact O-N 3.1Å; N570-C572 PolarHBondContact O-N 2.86Å; N570-C572 PolarHBondContact O-SG 3.12Å; N570-C572 VanDerWaalsContact O-SG 3.36Å
571K84.1Confident85.7Confident133 Ų13383.4 Ų83.458%0.57842%0.416SS*.  trans-68.7127.6176.6-67.2-172.5-179.5-170.20111.7C566 C569 F573C566-K571 PolarHBondContact N-O 3.13Å; C569-K571 PolarHBondContact O-N 2.87Å; K571-F573 HydrophobicContact CB-CE2 3.93Å; K571-F573 HydrophobicContact CB-CZ 3.93Å; K571-F573 WeakPolarHBondContact O-CD2 3.33Å; K571-F573 WeakPolarHBondContact O-CE2 3.47Å
572C85.8Confident86Confident59 Ų5980.2 Ų80.240%0.39940%0.401SS..EExtended strand (participates in β ladder)trans-97.6133.4-175.2-46.10000112K562 N570K562-C572 HydrophobicContact CB-CB 3.55Å; K562-C572 HydrophobicContact CD-CB 4.06Å; K562-C572 HydrophobicContact CG-CB 4.37Å; N570-C572 PolarHBondContact O-N 2.86Å; N570-C572 PolarHBondContact O-SG 3.12Å; N570-C572 VanDerWaalsContact O-SG 3.36Å
573F84.9Confident86.2Confident40 Ų4077.5 Ų77.518%0.17539%0.389CS..EExtended strand (participates in β ladder)trans-122.6148.2-177.6-58.3-83.4000112.9K562 Y564 C566 K571 R575 V578 L579 H582K562-F573 CarbonylContact C-O 3.54Å; K562-F573 VanDerWaalsContact CA-O 3.3Å; K562-F573 WeakPolarHBondContact CA-O 3.23Å; Y564-F573 WeakPolarHBondContact CB-O 3.43Å; Y564-F573 WeakPolarHBondContact CD2-O 3.3Å; Y564-F573 PolarHBondContact N-O 3.3Å; Y564-F573 WeakPolarHBondContact O-CD2 3.46Å; Y564-F573 PolarHBondContact O-N 2.69Å; C566-F573 HydrophobicContact CB-CE2 4.25Å; K571-F573 HydrophobicContact CB-CE2 3.93Å; K571-F573 HydrophobicContact CB-CZ 3.93Å; K571-F573 WeakPolarHBondContact O-CD2 3.33Å; K571-F573 WeakPolarHBondContact O-CE2 3.47Å; F573-R575 VanDerWaalsContact C-N 3.27Å; F573-R575 PolarHBondContact O-N 3.22Å; F573-V578 HydrophobicContact CD1-CB 4.3Å; F573-V578 HydrophobicContact CD1-CG1 3.52Å; F573-V578 HydrophobicContact CE1-CG1 3.99Å; F573-V578 HydrophobicContact CG-CG1 4.24Å; F573-L579 HydrophobicContact CB-CB 4.49Å; F573-L579 HydrophobicContact CD2-CB 4.08Å; F573-L579 HydrophobicContact CD2-CD1 3.98Å; F573-L579 HydrophobicContact CE2-CD1 4.21Å; F573-H582 HydrophobicContact CE1-CB 4.38Å; F573-H582 HydrophobicContact CE2-CB 4.08Å; F573-H582 AromaticContact CE2-CD2 3.32Å; F573-H582 WeakPolarHBondContact CE2-CD2 3.26Å; F573-H582 AromaticContact CE2-CG 3.71Å; F573-H582 AromaticContact CE2-NE2 3.93Å; F573-H582 HydrophobicContact CZ-CB 3.78Å; F573-H582 AromaticContact CZ-CD2 3.44Å; F573-H582 VanDerWaalsContact CZ-CD2 3.44Å; F573-H582 WeakPolarHBondContact CZ-CD2 3.49Å; F573-H582 AromaticContact CZ-CG 3.38Å; F573-H582 AromaticContact CZ-ND1 3.81Å; F573-H582 AromaticContact CZ-NE2 3.89Å
574T84.4Confident86.3Confident49 Ų4981.2 Ų81.230%0.30140%0.398SS..SBendtrans-76.8-10.7176.261.80000113.5E561 K562E561-T574 WeakPolarHBondContact O-CG2 3.46Å; K562-T574 HydrophobicContact CG-CG2 3.81Å
575R84.8Confident86.2Confident116 Ų11682.9 Ų82.944%0.43841%0.41SS..  trans-144126.2-173.1-64.1172.671.5175.92.6112R553 Y564 F573 A577 V578 L579R553-R575 HydrophobicContact CG-CG 4.39Å; Y564-R575 VanDerWaalsContact CD2-C 3.47Å; F573-R575 VanDerWaalsContact C-N 3.27Å; F573-R575 PolarHBondContact O-N 3.22Å; R575-A577 PolarHBondContact O-N 3.31Å; R575-V578 HydrophobicContact CB-CB 4.41Å; R575-V578 HydrophobicContact CB-CG2 3.95Å; R575-V578 WeakPolarHBondContact O-CB 3.42Å; R575-V578 PolarHBondContact O-N 3.45Å; R575-L579 PolarHBondContact O-N 3.43Å; R575-L579 VanDerWaalsContact O-N 3.14Å
576S86.4Confident85.9Confident55 Ų5581.7 Ų81.739%0.38540%0.399SS..Hα-helixtrans-55.5-32.6174.558.20000114.2Y564 V578 L579 R580Y564-S576 VanDerWaalsContact CD2-N 3.27Å; S576-V578 VanDerWaalsContact C-N 3.3Å; S576-V578 PolarHBondContact O-N 2.99Å; S576-L579 PolarHBondContact O-N 3.27Å; S576-R580 WeakPolarHBondContact O-CG 3.48Å; S576-R580 PolarHBondContact O-N 2.91Å
577A86.2Confident84.8Confident45 Ų4586.5 Ų86.537%0.37243%0.432SS..Hα-helixtrans-67-28.9175.600000113.4R575 R581R575-A577 PolarHBondContact O-N 3.31Å; A577-R581 PolarHBondContact O-N 3.16Å
578V86.4Confident83.6Confident51 Ų5188.5 Ų88.531%0.30944%0.438SS..Hα-helixtrans-77.8-43.5173.9-178.20000109.4F573 R575 S576 R580 R581 H582F573-V578 HydrophobicContact CD1-CB 4.3Å; F573-V578 HydrophobicContact CD1-CG1 3.52Å; F573-V578 HydrophobicContact CE1-CG1 3.99Å; F573-V578 HydrophobicContact CG-CG1 4.24Å; R575-V578 HydrophobicContact CB-CB 4.41Å; R575-V578 HydrophobicContact CB-CG2 3.95Å; R575-V578 WeakPolarHBondContact O-CB 3.42Å; R575-V578 PolarHBondContact O-N 3.45Å; S576-V578 VanDerWaalsContact C-N 3.3Å; S576-V578 PolarHBondContact O-N 2.99Å; V578-R580 VanDerWaalsContact C-N 3.34Å; V578-R580 PolarHBondContact O-N 3.26Å; V578-R581 PolarHBondContact O-N 3.08Å; V578-R581 VanDerWaalsContact O-N 3.16Å; V578-H582 WeakPolarHBondContact O-CB 3.43Å; V578-H582 PolarHBondContact O-N 3.21Å
579L89.3Confident82.1Confident22 Ų2288 Ų8812%0.11544%0.444CS..Hα-helixtrans-53.7-47.7171.3172.762.3000111.9T565 C566 F573 R575 S576 R581 H582 K583T565-L579 VanDerWaalsContact O-CD1 3.25Å; T565-L579 WeakPolarHBondContact O-CD1 3.39Å; T565-L579 WeakPolarHBondContact O-CD2 3.49Å; C566-L579 HydrophobicContact CB-CD1 3.44Å; C566-L579 VanDerWaalsContact CB-CD1 3.44Å; F573-L579 HydrophobicContact CB-CB 4.49Å; F573-L579 HydrophobicContact CD2-CB 4.08Å; F573-L579 HydrophobicContact CD2-CD1 3.98Å; F573-L579 HydrophobicContact CE2-CD1 4.21Å; R575-L579 PolarHBondContact O-N 3.43Å; R575-L579 VanDerWaalsContact O-N 3.14Å; S576-L579 PolarHBondContact O-N 3.27Å; L579-R581 PolarHBondContact O-N 3.34Å; L579-H582 CarbonylContact O-C 3.57Å; L579-H582 PolarHBondContact O-N 3.41Å; L579-H582 VanDerWaalsContact O-N 3.16Å; L579-K583 HydrophobicContact CD1-CD 4.49Å; L579-K583 HydrophobicContact CD1-CG 4.05Å; L579-K583 PolarHBondContact O-N 3.24Å
580R86.6Confident79.9Confident161 Ų16191.5 Ų91.561%0.60846%0.464SS*.Hα-helixtrans-62.7-38.7177.8-74.5-169.2-62.698.9-3.4113.2S576 V578 H582 K584S576-R580 WeakPolarHBondContact O-CG 3.48Å; S576-R580 PolarHBondContact O-N 2.91Å; V578-R580 VanDerWaalsContact C-N 3.34Å; V578-R580 PolarHBondContact O-N 3.26Å; R580-H582 VanDerWaalsContact C-N 3.33Å; R580-K584 PolarHBondContact O-N 2.98Å
581R87.3Confident78.4Confident189 Ų18993.4 Ų93.471%0.71347%0.474SS*.Hα-helixtrans-63.2-42.7173.5-178.4-175.9-68.9168-5.1110.7A577 V578 L579 K584 M585A577-R581 PolarHBondContact O-N 3.16Å; V578-R581 PolarHBondContact O-N 3.08Å; V578-R581 VanDerWaalsContact O-N 3.16Å; L579-R581 PolarHBondContact O-N 3.34Å; R581-K584 PolarHBondContact O-N 3.17Å; R581-M585 WeakPolarHBondContact O-CG 3.34Å
582H87.8Confident76.4Confident21 Ų2195.7 Ų95.710%0.09749%0.487CS..Hα-helixtrans-68.4-44.1-179.917270.6000112.8C566 C569 F573 V578 L579 R580 K584 M585 H586C566-H582 VanDerWaalsContact SG-CD2 3.51Å; C569-H582 PolarHBondContact SG-NE2 3.21Å; F573-H582 HydrophobicContact CE1-CB 4.38Å; F573-H582 HydrophobicContact CE2-CB 4.08Å; F573-H582 AromaticContact CE2-CD2 3.32Å; F573-H582 WeakPolarHBondContact CE2-CD2 3.26Å; F573-H582 AromaticContact CE2-CG 3.71Å; F573-H582 AromaticContact CE2-NE2 3.93Å; F573-H582 HydrophobicContact CZ-CB 3.78Å; F573-H582 AromaticContact CZ-CD2 3.44Å; F573-H582 VanDerWaalsContact CZ-CD2 3.44Å; F573-H582 WeakPolarHBondContact CZ-CD2 3.49Å; F573-H582 AromaticContact CZ-CG 3.38Å; F573-H582 AromaticContact CZ-ND1 3.81Å; F573-H582 AromaticContact CZ-NE2 3.89Å; V578-H582 WeakPolarHBondContact O-CB 3.43Å; V578-H582 PolarHBondContact O-N 3.21Å; L579-H582 CarbonylContact O-C 3.57Å; L579-H582 PolarHBondContact O-N 3.41Å; L579-H582 VanDerWaalsContact O-N 3.16Å; R580-H582 VanDerWaalsContact C-N 3.33Å; H582-K584 VanDerWaalsContact C-N 3.26Å; H582-K584 PolarHBondContact O-N 2.87Å; H582-M585 WeakPolarHBondContact O-CA 3.3Å; H582-M585 WeakPolarHBondContact O-CB 3.41Å; H582-M585 PolarHBondContact O-N 2.68Å; H582-H586 AromaticContact CD2-NE2 3.74Å; H582-H586 AromaticContact CE1-CE1 3.72Å; H582-H586 AromaticContact CE1-NE2 3.38Å; H582-H586 PolarHBondContact CE1-NE2 3.39Å; H582-H586 AromaticContact NE2-CE1 3.77Å; H582-H586 AromaticContact NE2-NE2 3.02Å; H582-H586 PolarHBondContact NE2-NE2 2.9Å
583K86.8Confident73.9Confident66 Ų6695.2 Ų95.229%0.28749%0.493SS..Hα-helixtrans-55.6-40.2171.8-78.2-163.7174.8-167.60111.8E567 L579 M585 H586 C587E567-K583 WeakPolarHBondContact OE1-CE 3.49Å; E567-K583 IonicContact OE1-NZ 2.69Å; E567-K583 PolarHBondContact OE1-NZ 3.27Å; E567-K583 IonicContact OE2-NZ 2.71Å; E567-K583 PolarHBondContact OE2-NZ 3.01Å; L579-K583 HydrophobicContact CD1-CD 4.49Å; L579-K583 HydrophobicContact CD1-CG 4.05Å; L579-K583 PolarHBondContact O-N 3.24Å; K583-M585 PolarHBondContact O-N 3.11Å; K583-M585 VanDerWaalsContact O-N 3.14Å; K583-H586 PolarHBondContact O-N 3.37Å; K583-H586 VanDerWaalsContact O-N 3.1Å; K583-C587 PolarHBondContact O-N 3.24Å; K583-C587 PolarHBondContact O-SG 3.03Å
584K86.6Confident72.3Confident151 Ų15199.5 Ų99.566%0.65752%0.524SS*.Hα-helixtrans-65.3-10.4174.1-175161.7-177.6168.30114.3R580 R581 H582R580-K584 PolarHBondContact O-N 2.98Å; R581-K584 PolarHBondContact O-N 3.17Å; H582-K584 VanDerWaalsContact C-N 3.26Å; H582-K584 PolarHBondContact O-N 2.87Å
585M83.2Confident70.1Confident113 Ų113104.9 Ų104.956%0.55755%0.551SS**Hα-helixtrans-86.4-28.9171.5-50.2-163.4-42.400112.5R581 H582 K583 K588R581-M585 WeakPolarHBondContact O-CG 3.34Å; H582-M585 WeakPolarHBondContact O-CA 3.3Å; H582-M585 WeakPolarHBondContact O-CB 3.41Å; H582-M585 PolarHBondContact O-N 2.68Å; K583-M585 PolarHBondContact O-N 3.11Å; K583-M585 VanDerWaalsContact O-N 3.14Å; M585-K588 PolarHBondContact O-N 2.95Å
586H79.3Confident67.8Low50 Ų50105 Ų10523%0.23157%0.565CS.*Hα-helixtrans-67.2-40.3173-61.7-51000110.9T568 C569 H582 K583 K588 A589T568-H586 HydrophobicContact CG2-CB 3.99Å; C569-H586 VanDerWaalsContact SG-CE1 3.57Å; C569-H586 PolarHBondContact SG-NE2 2.94Å; C569-H586 VanDerWaalsContact SG-NE2 3.37Å; H582-H586 AromaticContact CD2-NE2 3.74Å; H582-H586 AromaticContact CE1-CE1 3.72Å; H582-H586 AromaticContact CE1-NE2 3.38Å; H582-H586 PolarHBondContact CE1-NE2 3.39Å; H582-H586 AromaticContact NE2-CE1 3.77Å; H582-H586 AromaticContact NE2-NE2 3.02Å; H582-H586 PolarHBondContact NE2-NE2 2.9Å; K583-H586 PolarHBondContact O-N 3.37Å; K583-H586 VanDerWaalsContact O-N 3.1Å; H586-K588 PolarHBondContact O-N 3.34Å; H586-A589 PolarHBondContact O-N 3Å; H586-A589 VanDerWaalsContact O-N 3.12Å
587C67.2Low65.7Low101 Ų101110.2 Ų110.268%0.68259%0.588SS**THydrogen-bonded Turntrans-66.719.6172.4-46.90000114.9K583K583-C587 PolarHBondContact O-N 3.24Å; K583-C587 PolarHBondContact O-SG 3.03Å
588K60.7Low63.3Low172 Ų172114.8 Ų114.875%0.74861%0.606SS**THydrogen-bonded Turntrans-129.4-2175.3-78-170.5159.7-135.90113.4M585 H586M585-K588 PolarHBondContact O-N 2.95Å; H586-K588 PolarHBondContact O-N 3.34Å
589A53.2Low60.8Low86 Ų86121 Ų12171%0.71163%0.632SS**SBendtrans-109.1-3-175.600000113.5H586H586-A589 PolarHBondContact O-N 3Å; H586-A589 VanDerWaalsContact O-N 3.12Å
590T42Very low58.2Low119 Ų119127.7 Ų127.773%0.7367%0.666SS**  trans-114.490.917653.70000108.5
591D52.8Low55.7Low163 Ų163123.6 Ų123.687%0.87267%0.667SS**  trans-105.975.5176.8-161.613.9000109
592E42.4Very low53.3Low180 Ų180123.5 Ų123.584%0.84168%0.675SS**  trans-148.9131.7173.7-86.3-60.2171.400109.6
593G34.3Very low50.9Low50 Ų50125 Ų12552%0.51570%0.696SS.*  trans69.597.5164.300000118.4N595G593-N595 PolarHBondContact O-N 3.02Å
594P50Low48.4Very low130 Ų130127.7 Ų127.784%0.84472%0.718SS**SBendtrans-78.775.3173.233.6-35.5000112.2
595N39.3Very low45.9Very low161 Ų161128.3 Ų128.386%0.86172%0.723SS**  trans-158.742.3173.4-111.2-19.3000116.4G593G593-N595 PolarHBondContact O-N 3.02Å
596T35.8Very low43.5Very low119 Ų119128.1 Ų128.173%0.7373%0.728SS**  trans-138.310.8173.251.80000114.6D598T596-D598 PolarHBondContact O-N 3.43Å
597L42.8Very low41.2Very low165 Ų165131.1 Ų131.186%0.86476%0.755SS**SBendtrans-87.9-2.5-162.9-112.1171.2000116.7
598D35.8Very low39.7Very low140 Ų140134.2 Ų134.275%0.74976%0.764SS**SBendtrans-101-26-175.3-127.1-4.4000113.9T596T596-D598 PolarHBondContact O-N 3.43Å
599E33.2Very low38.2Very low183 Ų183132.8 Ų132.886%0.85577%0.765SS**G310 helixtrans-81-25.8-172.1-156174.2152.800113.6A601E599-A601 VanDerWaalsContact C-N 3.28Å; E599-A601 PolarHBondContact O-N 2.92Å
600L36.1Very low37.1Very low161 Ų161134.6 Ų134.684%0.84376%0.762SS**G310 helixtrans-82.41.1177.1-78.8167.2000114.2
601A33.3Very low36.6Very low76 Ų76136.2 Ų136.263%0.62876%0.759SS**G310 helixtrans-81.9-15.8-177.800000114.6E599E599-A601 VanDerWaalsContact C-N 3.28Å; E599-A601 PolarHBondContact O-N 2.92Å
602Q36.4Very low35.5Very low187 Ų187131.5 Ų131.587%0.87474%0.739SS**SBendtrans-109.90.4-172.4-57.4-168.933.300114.5
603G38.8Very low34.8Very low52 Ų52130.2 Ų130.254%0.53673%0.733SS.*SBendtrans-92138.3170.900000113.2
604V33.3Very low34.6Very low123 Ų123133.1 Ų133.175%0.74575%0.745SS**  trans72.864.7168.5-160.10000116.7T606V604-T606 PolarHBondContact O-N 2.96Å
605E33.7Very low33.7Very low164 Ų164131.5 Ų131.577%0.76674%0.737SS**  trans-87.348.3150.5-111.3-122.7143.300111.4K478K478-E605 IonicContact NZ-OE2 2.94Å; K478-E605 PolarHBondContact NZ-OE2 3.34Å
606T33.5Very low33.1Very low109 Ų109128.3 Ų128.367%0.66972%0.72SS**  trans-135.175.7179.946.80000114.5V604V604-T606 PolarHBondContact O-N 2.96Å
607S30.8Very low32.7Very low113 Ų113128.4 Ų128.479%0.7973%0.725SS**SBendtrans-166.7150.5145.443.20000112.8
608D35.2Very low31.9Very low165 Ų165129 Ų12988%0.88272%0.721SS**  trans-62.1133-175.6-63.2-85000114.1
609L30.6Very low31.4Very low143 Ų143127.3 Ų127.375%0.74973%0.727SS**  trans-13083163.2-87.1171.4000111.5K611L609-K611 PolarHBondContact O-N 3.28Å
610D30Very low31.3Very low123 Ų123125.6 Ų125.666%0.65872%0.719SS**  trans-6379.7154.8177.714.1000108.6K522 S612K522-D610 IonicContact NZ-OD1 2.76Å; K522-D610 PolarHBondContact NZ-OD1 3.25Å; K522-D610 IonicContact NZ-OD2 2.71Å; K522-D610 PolarHBondContact NZ-OD2 2.8Å; D610-S612 PolarHBondContact O-N 3.44Å
611K29.8Very low30.9Very low154 Ų154126.4 Ų126.467%0.6772%0.718SS**  trans-7859.3-175.9-164.1-169175.9-173.80111.3L609 Q613L609-K611 PolarHBondContact O-N 3.28Å; K611-Q613 HydrophobicContact CG-CG 4.41Å; K611-Q613 PolarHBondContact O-N 3.48Å; K611-Q613 VanDerWaalsContact O-N 3.11Å
612S30Very low30.7Very low63 Ų63130.5 Ų130.544%0.44173%0.726SS.*  trans-65.9107.6155.735.50000109K522 D610 S614K522-S612 PolarHBondContact NZ-OG 3.18Å; D610-S612 PolarHBondContact O-N 3.44Å; S612-S614 PolarHBondContact O-N 3.49Å
613Q28.3Very low30.3Very low153 Ų153127.2 Ų127.272%0.71572%0.724SS**  trans-67.994.4171.5-74.7165.9-88.500109.6K611K611-Q613 HydrophobicContact CG-CG 4.41Å; K611-Q613 PolarHBondContact O-N 3.48Å; K611-Q613 VanDerWaalsContact O-N 3.11Å
614S30.5Very low29.8Very low111 Ų111130.6 Ų130.678%0.77673%0.734SS**  trans-92.692.616559.70000109S612S612-S614 PolarHBondContact O-N 3.49Å
615S30.5Very low29.5Very low97 Ų97129.2 Ų129.268%0.67874%0.736SS**  trans-146.372.7175.756.20000110.1S617S615-S617 PolarHBondContact O-N 2.88Å
616D26.2Very low29.1Very low93 Ų93129.2 Ų129.250%0.49774%0.74SS.*  trans-76.1112.2155.8-51.4-106.4000107.1K515 R529K515-D616 IonicContact NZ-OD1 2.95Å; K515-D616 PolarHBondContact NZ-OD1 3.03Å; R529-D616 IonicContact CZ-OD1 3.7Å; R529-D616 IonicContact CZ-OD2 3.38Å; R529-D616 IonicContact NH1-OD1 2.75Å; R529-D616 IonicContact NH1-OD2 3.8Å; R529-D616 PolarHBondContact NH1-OD2 3.2Å; R529-D616 IonicContact NH2-OD1 3.19Å; R529-D616 PolarHBondContact NH2-OD1 2.94Å; R529-D616 IonicContact NH2-OD2 3.2Å; R529-D616 PolarHBondContact NH2-OD2 2.98Å
617S28.4Very low28.7Very low121 Ų121132.1 Ų132.185%0.84675%0.751SS**  trans-151.5133148.5-168.50000108.3S615S615-S617 PolarHBondContact O-N 2.88Å
618F24.8Very low28.7Very low178 Ų178132.2 Ų132.278%0.78175%0.749SS**  trans-64135.5-172.1-118.7-117.8000113.2Q620F618-Q620 HydrophobicContact CD1-CB 4.31Å; F618-Q620 HydrophobicContact CE1-CB 4.14Å; F618-Q620 VanDerWaalsContact CE1-OE1 3.23Å
619A27.1Very low28.3Very low104 Ų104131.7 Ų131.786%0.8675%0.751SS**  trans-149.3130.3136.500000105.9
620Q30.3Very low28Very low147 Ų147134.3 Ų134.369%0.68776%0.756SS**  trans-128.6102-169.7178.7176.2-18.200109.7F618F618-Q620 HydrophobicContact CD1-CB 4.31Å; F618-Q620 HydrophobicContact CE1-CB 4.14Å; F618-Q620 VanDerWaalsContact CE1-OE1 3.23Å
621E27.1Very low27.7Very low178 Ų178138.1 Ų138.183%0.83277%0.767SS**  trans-128.3112.6169-83.4-63.9158.700107.5
622M29Very low27.8Very low163 Ų163136 Ų13680%0.80377%0.769SS**  trans-138.295.4175.9-179.1171.2173.600107.2V624M622-V624 PolarHBondContact O-N 2.77Å
623S28.2Very low27.5Very low118 Ų118140.1 Ų140.183%0.82579%0.785SS**  trans-69.3101-169.5-46.70000111.6
624V28.5Very low27.2Very low122 Ų122144 Ų14474%0.73979%0.793SS**  trans-91.3127.7166.3178.80000108.1M622M622-V624 PolarHBondContact O-N 2.77Å
625A27.1Very low27.5Very low95 Ų95144 Ų14479%0.78579%0.79SS**  trans-70.2141-178.100000112
626L26.3Very low27.2Very low164 Ų164145.1 Ų145.186%0.85980%0.798SS**  trans-130.2136.1167.7-74.4174.8000109.7
627L24.2Very low27.2Very low170 Ų170143.6 Ų143.689%0.8980%0.804SS**  trans-123.4154.2162.9-76.4175.6000109.2
628P31.7Very low27.1Very low115 Ų115145 Ų14575%0.74780%0.803SS**  trans-115.4156.3-141.639.4-31.6000115.5
629V25.8Very low27.1Very low154 Ų154141.5 Ų141.593%0.93380%0.8SS**  trans-133.2153.2162.2-174.20000109.3
630K24.2Very low27.1Very low198 Ų198141.8 Ų141.886%0.86179%0.791SS**  trans-81.8154.2-162.7-68174.7175.51740115.5
631F23.3Very low26.9Very low202 Ų202142.2 Ų142.289%0.88679%0.793SS**  trans-59.1164.2157.5-72.9-88.1000112.5
632P31.7Very low26.8Very low110 Ų110141.4 Ų141.471%0.71479%0.787SS**  -133.4140.6989.612.6000116.8
633I24.6Very low26.5Very low149 Ų149139.3 Ų139.376%0.76478%0.779SS**  trans66.798.5131.5-58.1165.9000119.8
634R22.7Very low26.3Very low236 Ų236140.1 Ų140.189%0.89177%0.774SS**  19.4167.9109.3-92.7-174.5-179.1177.10.9120.3
635P36.3Very low26.3Very low110 Ų110139.5 Ų139.571%0.71478%0.775SS**  cis-135.9-1714.639.9-21000115.7
636S24.9Very low26.2Very low121 Ų121138.6 Ų138.685%0.84677%0.768SS**  trans77.8131.3147.7-153.10000119
637G25.5Very low26.2Very low61 Ų61138 Ų13863%0.62977%0.765SS**  cis172.5168.9-6.900000115.3
638N25.2Very low26.4Very low151 Ų151134.4 Ų134.481%0.80775%0.754SS**  trans46.1123.6153.5-65.513.8000121.5
639S25.3Very low26.2Very low103 Ų103139.2 Ų139.272%0.7276%0.759SS**  trans73.2150.7130.3-60.30000118.2
640T27.6Very low26.3Very low110 Ų110137.7 Ų137.768%0.67575%0.754SS**  cis-155.4129.1-411.10000105.1
641E25.5Very low26.4Very low157 Ų157138.3 Ų138.373%0.73476%0.757SS**  88.5154.682.2-156.3-179.7-119.200112.4
642F25.6Very low26.5Very low160 Ų160137.1 Ų137.170%0.70276%0.759SS**  trans69.196177.6-73.9-77.7000120.8
643D23.1Very low26.2Very low119 Ų119142.8 Ų142.864%0.63677%0.766SS**  75.6133.9112.2-82.620.6000124.8
644N24.3Very low26.3Very low136 Ų136139.4 Ų139.473%0.72776%0.756SS**  trans44.7130.3131.1-56.5-40.5000119.2
645S26.8Very low26.5Very low109 Ų109136 Ų13676%0.76275%0.752SS**  cis-167.7168.734-158.40000113.6
646A26.4Very low26.1Very low76 Ų76136.8 Ų136.863%0.62875%0.749SS**  trans46130.5146.500000122.8
647D25.8Very low26.2Very low151 Ų151139.3 Ų139.381%0.80775%0.747SS**  trans69.987.9132.3-62.8-11.5000122.9
648S29Very low26.3Very low94 Ų94144 Ų14466%0.65775%0.752SS**  101.5164.7100.1-151.50000120.6
649Y27.9Very low26.3Very low217 Ų217144.2 Ų144.285%0.85175%0.748SS**  trans62.6105.2171.8-70.8-68.2000121
650C26.9Very low26.3Very low122 Ų122145.1 Ų145.182%0.82475%0.745SS**  trans-55136.8160.9-44.60000113
651K26.4Very low26.3Very low210 Ų210144.9 Ų144.991%0.91375%0.748SS**  -165.1121.4114.4-107.7167-176.3175.60112.2
652L24.7Very low26.3Very low177 Ų177141.9 Ų141.993%0.92775%0.75SS**  trans-89.8121.9170.4-176.583.6000109.3
653R26.6Very low26.5Very low229 Ų229141.1 Ų141.186%0.86475%0.753SS**  trans-155118.9153.5-163155.4-158.6-157.84.8115.2
654S26.3Very low26.8Very low79 Ų79142 Ų14255%0.55275%0.753SS**  trans72.8134.4147.1-74.30000122
655M26.7Very low27.2Very low165 Ų165142.3 Ų142.381%0.81375%0.75SS**  trans77.2147.8136.1-71.5169.7159.200117.2
656I28.1Very low27.5Very low126 Ų126144.3 Ų144.365%0.64675%0.745SS**  cis-152.9179.15-135160.5000112.7
657Q26.4Very low27.6Very low174 Ų174147 Ų14781%0.81375%0.748SS**  trans93.7170.3157.7-101.1147.18.700121.3
658H27Very low27.6Very low158 Ų158145.8 Ų145.873%0.73174%0.742SS**  trans-147-178-132.2-93.5-104.9000112.4
659H26.6Very low27.6Very low157 Ų157148.2 Ų148.273%0.72775%0.745SS**  trans78.2146167-63.2-81.3000116.3
660D23.9Very low27.7Very low121 Ų121143.8 Ų143.865%0.64774%0.735SS**  cis-151.7140.6-8.4-109.4-25.9000109
661S27.6Very low27.8Very low106 Ų106142.8 Ų142.874%0.74173%0.73SS**  75.888.277.7-57.40000117.6
662A27.4Very low28Very low93 Ų93136.7 Ų136.777%0.76972%0.719SS**  trans-167.9124.6148.500000109.5
663N29.3Very low28Very low145 Ų145137.7 Ų137.778%0.77572%0.716SS**  62.9134.877.9-87.7-26.6000114.2
664Q29.4Very low27.8Very low138 Ų138133.6 Ų133.665%0.64571%0.71SS**  cis-166.4164.523.5-128.217452.700114.2
665Q33.2Very low28.7Very low142 Ų142135.5 Ų135.566%0.66472%0.721SS**  trans74.4146.5144.9-76-164.150.700121.9
666K31.2Very low28.9Very low151 Ų151137 Ų13766%0.65772%0.717SS**  cis-175.3168.5-16.6-151.7-179.1-171170.60113.6
667L28.4Very low28.9Very low131 Ų131134.9 Ų134.969%0.68672%0.719SS**  trans77.1147.1157.1-57.7178.1000119.8
668N26.9Very low29.2Very low127 Ų127132.9 Ų132.968%0.67971%0.709SS**  cis-168143.9-35.4-112.125.3000108.8
669M29Very low29.3Very low145 Ų145129.5 Ų129.571%0.71470%0.7SS**  57.6143.787.2-48-94.263.600114.5
670D29Very low29.4Very low123 Ų123129.2 Ų129.266%0.65870%0.698SS**  cis-150.4-179.10.4-139.3-110.7000106.9
671S30.1Very low29.6Very low102 Ų102131.2 Ų131.271%0.71370%0.704SS**  cis-157.9-174.99-151.60000107.1
672A29.9Very low29.6Very low82 Ų82132.1 Ų132.168%0.67871%0.705SS**  cis-149.6-148.75.400000107.6
673K25.4Very low30.5Very low198 Ų198133.2 Ų133.286%0.86171%0.705SS**  cis-156.6-163.63.8-146.7174.6-178.5177.40110
674L23Very low31.5Very low142 Ų142131.5 Ų131.574%0.74370%0.701SS**  trans-151.6169.7-168-95140.4000111.1R676L674-R676 HydrophobicContact CD2-CB 4Å
675P45.2Very low32Very low119 Ų119130.8 Ų130.877%0.77371%0.709SS**  cis-114.4150.832.29.316000115.9
676R30.3Very low31.7Very low198 Ų198128.8 Ų128.875%0.74771%0.71SS**  70.2133.364.5-152.4-167.8162.8158.6-4.2109.8L674 Q678L674-R676 HydrophobicContact CD2-CB 4Å; R676-Q678 VanDerWaalsContact CZ-OE1 3.3Å
677A28.3Very low31.5Very low81 Ų81132.4 Ų132.467%0.66972%0.721SS**  cis-156.5-172.535.300000109.7
678Q32.2Very low31.3Very low131 Ų131132.1 Ų132.161%0.61273%0.725SS**  cis179.6157.5-17.2-113.6175.7-121.600106.5R676R676-Q678 VanDerWaalsContact CZ-OE1 3.3Å
679T29.4Very low31.3Very low88 Ų88135.1 Ų135.154%0.5473%0.728SS.*  cis-161-164.9-14.7-0.30000108.1
680H29.3Very low31.3Very low150 Ų150133.9 Ų133.969%0.69473%0.729SS**  trans85.5145.6154.7-47.3-68.6000118.3
681Q27.1Very low31.1Very low163 Ų163134 Ų13476%0.76273%0.73SS**  cis-158.8156.8-33.2-153.3148-52.800111.5
682T27.8Very low31Very low126 Ų126134.7 Ų134.777%0.77373%0.729SS**  trans-155.9-163.5-175.456.30000108.3
683P45.8Very low30.8Very low116 Ų116137.6 Ų137.675%0.75373%0.734SS**  cis-118-74-19.812.78.2000121.5
684P49.8Very low30.9Very low109 Ų109134.4 Ų134.471%0.70873%0.73SS**  trans-116-166.9-149.147.7-35.7000113.2
685P41.2Very low31.1Very low123 Ų123133 Ų13380%0.79973%0.732SS**  cis-142.3-148.512.246-23.9000117
686S25.6Very low30.3Very low99 Ų99132.8 Ų132.869%0.69273%0.733SS**  trans-92.6161.9-172.152.70000116.9
687Y27.1Very low30.1Very low227 Ų227128.2 Ų128.289%0.8974%0.738SS**  trans-154.2178.8150.9-109.8-74.6000112.7
688T24.9Very low30Very low125 Ų125134 Ų13477%0.76775%0.751SS**  trans-139.9169-160.850.30000114.8
689Y27.8Very low29.7Very low190 Ų190136 Ų13675%0.74576%0.761SS**  trans117.2163.5144.9-152.4-112.9000118.6
690T28.4Very low30.1Very low119 Ų119136.5 Ų136.573%0.7377%0.766SS**  trans67.9123-170.860.50000114.8
691D24.8Very low30.1Very low127 Ų127136.8 Ų136.868%0.67977%0.771SS**  cis73.2133.517.5-119.6-13.2000112.8
692V28.6Very low30Very low115 Ų115137.8 Ų137.870%0.69778%0.776SS**  cis-148.1-172.528.2-160.80000111.8
693D25.2Very low30Very low144 Ų144136.7 Ų136.777%0.7777%0.774SS**  trans85.7116.6168.9-61.6-22.1000117.5
694V26.9Very low29.1Very low131 Ų131139 Ų13979%0.79478%0.779SS**  75.812050.5-179.60000110.9
695S27.7Very low27.9Very low111 Ų111138 Ų13878%0.77678%0.776SS**  cis-147.8164.241.8-1780000115.5
696S27.5Very low27.3Very low115 Ų115140.5 Ų140.580%0.80478%0.78SS**  trans-69.2157.5177.6-38.20000116.9
697A26.5Very low27.4Very low103 Ų103139.8 Ų139.885%0.85178%0.775SS**  trans-159.8160.4145.100000110.3
698E25.7Very low27.4Very low202 Ų202136 Ų13694%0.94477%0.767SS**  trans-105.1-178.1-171.1-64.1-170.8122.200115.3
699E26.9Very low27.5Very low172 Ų172138.3 Ų138.380%0.80477%0.773SS**  trans-59.8-175.5168-97.2-160.616800114.5
700P37.4Very low27.5Very low100 Ų100139 Ų13965%0.64978%0.775SS**  cis-136.3177.92.519.77.4000117.3
701L29.1Very low27.4Very low155 Ų155139.1 Ų139.181%0.81278%0.78SS**  trans21.2123.8143.2-58.2170.4000122
702Q25.4Very low27.6Very low185 Ų185138 Ų13886%0.86478%0.782SS**  trans-153.2135.8130.8-101.4159.82200106.5
703S27.3Very low27.5Very low103 Ų103140 Ų14072%0.7279%0.786SS**  cis67.294.927.889.40000114
704D26.4Very low27.6Very low163 Ų163140 Ų14087%0.87279%0.791SS**  trans-138.2146163.2-147.3-14.7000111
705S26.4Very low27.6Very low90 Ų90138.1 Ų138.163%0.62978%0.784SS**  trans-139.9135.1-175.176.30000110.1
706I28.7Very low27.7Very low175 Ų175140.9 Ų140.990%0.89779%0.788SS**  trans-120.7132.7161.7-62.6-175.8000108.3
707S26Very low27.6Very low84 Ų84141.7 Ų141.759%0.58778%0.784SS**  trans-118.4151.3-162.9-77.50000112.5
708M27.5Very low27.8Very low146 Ų146142.7 Ų142.772%0.71978%0.784SS**  trans48.9123153.2-59.9-178.7-149.200119.5
709I27Very low28Very low174 Ų174139.6 Ų139.689%0.89277%0.77SS**  -114.2128.2123.7-64.5-178.5000107.4
710R27.9Very low28Very low205 Ų205137.7 Ų137.777%0.77477%0.774SS**  trans-100.6141.2168.1-83.5177.4164.8172.5-4.7108.7
711S26.4Very low27.5Very low121 Ų121139.2 Ų139.285%0.84678%0.777SS**  trans-141.6124146.1-77.90000109.7
712S29.2Very low27.6Very low103 Ų103139.3 Ų139.372%0.7278%0.778SS**  trans-83.7178.9163.7-41.10000108.5
713M26.9Very low28.1Very low159 Ų159136.6 Ų136.678%0.78378%0.776SS**  cis-162.2140.9-2.7-148.6-170.1-47.300107.1
714V26.5Very low28.4Very low144 Ų144140.4 Ų140.487%0.87379%0.788SS**  trans-146.4129.4151.5-178.70000108.4
715S28.3Very low28.4Very low91 Ų91135.9 Ų135.964%0.63678%0.78SS**  trans-97.5140.8173.4-53.60000110.6
716L27.9Very low28.5Very low168 Ų168136.8 Ų136.888%0.8879%0.786SS**  trans-145.7119155.7-89.6-178.5000109.9
717D25.8Very low28.5Very low133 Ų133140 Ų14071%0.71179%0.787SS**  trans-74.2155.2172.9-65.3-71.6000112.1
718S31.6Very low28.5Very low123 Ų123141.7 Ų141.786%0.8679%0.794SS**  trans-15398.8155.636.20000110.2
719H28.6Very low28.5Very low137 Ų137140 Ų14063%0.63480%0.796SS**  trans-71.3148.4178.8-65.5-88.8000112.2
720C28Very low28.5Very low133 Ų133137.7 Ų137.790%0.89980%0.796SS**  trans-137.886.7153.5-82.60000107
721N27.4Very low28.3Very low132 Ų132132.5 Ų132.571%0.70680%0.796SS**PPolyproline II helixtrans-83.8130.1179.5-65-21.4000110.1
722D30.7Very low28.3Very low157 Ų157131.6 Ų131.684%0.8480%0.797SS**PPolyproline II helixtrans-78.1135.4160.2-74.5-50.3000109.6
723P36.2Very low28.1Very low127 Ų127137.2 Ų137.283%0.82580%0.803SS**PPolyproline II helixtrans-89.7122.8166.932.4-29.4000111
724L34Very low28.2Very low183 Ų183139.7 Ų139.796%0.95881%0.81SS**PPolyproline II helixtrans-100.8137.4167.9-80.7172.6000111.1
725G25.9Very low28.2Very low68 Ų68137.3 Ų137.370%0.70180%0.8SS**  trans148.1138161.700000112.7
726S27.7Very low28.1Very low110 Ų110141 Ų14177%0.76981%0.812SS**  cis161.4126.4-11.139.40000105.5
727R28.8Very low28.2Very low243 Ų243142.7 Ų142.792%0.91782%0.816SS**  trans-175.3110.1153.9-106.4160.1-166.9-138.51.5114.3
728T25.2Very low28.4Very low118 Ų118139.2 Ų139.272%0.72481%0.811SS**  trans34.1102.5131.157.90000121
729S27.6Very low28.6Very low110 Ų110139 Ų13977%0.76981%0.807SS**  22.2127.1122580000121.3
730S26.9Very low28.6Very low127 Ų127142.5 Ų142.589%0.88882%0.82SS**  -173.5171103.4-156.70000113.7
731A25.6Very low28.7Very low95 Ų95145.1 Ų145.179%0.78582%0.817SS**  trans-58.9157.9-164.700000120.5
732A25Very low29.2Very low103 Ų103142.8 Ų142.885%0.85181%0.811SS**  -162.3151.3127.100000112.6
733Y25.4Very low29.5Very low220 Ų220140.1 Ų140.186%0.86380%0.804SS**  trans-75.7146.5177.1-108.2-118.6000113.1
734K28.5Very low29.6Very low212 Ų212141.5 Ų141.592%0.92280%0.802SS**  -162.3130.1124.5-113.3170.9-175.21780112.3
735S26.6Very low30.5Very low94 Ų94137.4 Ų137.466%0.65779%0.785SS**  trans-96.7144.9176.251.30000111.3
736N26Very low31.2Very low167 Ų167140.3 Ų140.389%0.89378%0.783SS**  trans-162.4124.5145-111.65.3000108.7
737E31.4Very low31.8Very low205 Ų205144.5 Ų144.596%0.95878%0.782SS**  trans-92.6142.5170.8-65.4-165.9142.600110.4
738G28.9Very low32.4Very low59 Ų59135.3 Ų135.361%0.60876%0.763SS**  trans-160.5141.3176.800000108.5F740G738-F740 PolarHBondContact O-N 3.23Å
739P36Very low33.2Very low119 Ų119135.4 Ų135.477%0.77376%0.759SS**  trans-77.7128.4-15327.7-35.5000114.4F741P739-F741 PolarHBondContact O-N 2.94Å
740F29Very low33.9Very low210 Ų210132.6 Ų132.692%0.92174%0.742SS**  trans-68.8109.1161.6-89.3-94.1000110.1G738 S742G738-F740 PolarHBondContact O-N 3.23Å; F740-S742 PolarHBondContact O-N 3.39Å
741F30.3Very low34.7Very low189 Ų189132.2 Ų132.283%0.82973%0.728SS**  trans-67.6118.3163.4-93-94.5000109.7P739P739-F741 PolarHBondContact O-N 2.94Å
742S36.7Very low35.5Very low83 Ų83135.6 Ų135.658%0.5873%0.725SS**  trans-66.4132.5175.9-178.70000110.8F740 M744F740-S742 PolarHBondContact O-N 3.39Å; S742-M744 PolarHBondContact O-N 3.32Å
743S38Very low36.5Very low100 Ų100135.7 Ų135.770%0.69972%0.715SS**THydrogen-bonded Turntrans-7010.1-175.851.40000115
744M38.3Very low37.3Very low157 Ų157130.9 Ų130.977%0.77370%0.704SS**Hα-helixtrans-82.3-16.4-170.9-153.2164.272.200114.1S742S742-M744 PolarHBondContact O-N 3.32Å
745T53.7Low37.9Very low97 Ų97128.7 Ų128.760%0.59570%0.696SS**Hα-helixtrans-81.7-29179.247.40000114W747 G748 L749T745-W747 PolarHBondContact O-N 3.39Å; T745-G748 PolarHBondContact O-N 3.5Å; T745-G748 VanDerWaalsContact O-N 3.17Å; T745-L749 PolarHBondContact O-N 3.15Å
746L39.6Very low38.8Very low129 Ų129128.6 Ų128.668%0.67569%0.689SS**Hα-helixtrans-63.9-38.1-177.7-105.8152.9000112.9A750L746-A750 PolarHBondContact O-N 3.4Å
747W41Very low39.5Very low197 Ų197128.3 Ų128.375%0.74668%0.682SS**Hα-helixtrans-71.2-29.4174.7-87.374.2000113.3T745 M751T745-W747 PolarHBondContact O-N 3.39Å; W747-M751 HydrophobicContact CZ3-CE 4.38Å; W747-M751 PolarHBondContact O-N 2.88Å
748G40.2Very low40Very low50 Ų50123.9 Ų123.952%0.51567%0.674SS.*Hα-helixtrans-69.6-34.9175.600000113.1T745T745-G748 PolarHBondContact O-N 3.5Å; T745-G748 VanDerWaalsContact O-N 3.17Å
749L42.5Very low40.6Very low120 Ų120128 Ų12863%0.62868%0.677SS**Hα-helixtrans-72.5-45.1175.4-73.8165.3000111.9T745 M751 K752 T753T745-L749 PolarHBondContact O-N 3.15Å; L749-M751 VanDerWaalsContact C-N 3.28Å; L749-M751 PolarHBondContact O-N 3.04Å; L749-K752 PolarHBondContact O-N 2.76Å; L749-T753 PolarHBondContact O-N 3.07Å
750A41.8Very low40.9Very low51 Ų51129.7 Ų129.742%0.42168%0.679SS.*Hα-helixtrans-62.1-31.1-178.900000114L746 T753L746-A750 PolarHBondContact O-N 3.4Å; A750-T753 PolarHBondContact O-OG1 3.09Å
751M44.8Very low41.4Very low119 Ų119129 Ų12959%0.58668%0.678SS**Hα-helixtrans-73.4-30174-75.3-67.5-179.400112.8W747 L749 T753 L754W747-M751 HydrophobicContact CZ3-CE 4.38Å; W747-M751 PolarHBondContact O-N 2.88Å; L749-M751 VanDerWaalsContact C-N 3.28Å; L749-M751 PolarHBondContact O-N 3.04Å; M751-T753 VanDerWaalsContact C-N 3.31Å; M751-T753 PolarHBondContact O-N 3.07Å; M751-L754 PolarHBondContact O-N 3.39Å
752K41.9Very low41.7Very low167 Ų167132.2 Ų132.273%0.72670%0.696SS**Hα-helixtrans-74.8-21.5-179.6-163.5171.2-177.9-178.70113L749L749-K752 PolarHBondContact O-N 2.76Å
753T45.5Very low42Very low105 Ų105134.7 Ų134.764%0.64470%0.702SS**G310 helixtrans-81.1-16.4174.939.90000114.5L749 A750 M751L749-T753 PolarHBondContact O-N 3.07Å; A750-T753 PolarHBondContact O-OG1 3.09Å; M751-T753 VanDerWaalsContact C-N 3.31Å; M751-T753 PolarHBondContact O-N 3.07Å
754L41.9Very low42.2Very low119 Ų119136.5 Ų136.562%0.62370%0.702SS**G310 helixtrans-93.210.2-177-75.4169.1000114.3M751M751-L754 PolarHBondContact O-N 3.39Å
755Q42.2Very low42.4Very low165 Ų165135.3 Ų135.377%0.77170%0.698SS**G310 helixtrans-113.54-176.3-158.2128.636.400113.9
756N44.9Very low41.7Very low93 Ų93137.6 Ų137.650%0.49770%0.704SS.*  trans-122.116.3-174.9-83.567.3000114.2S758 E759N756-S758 PolarHBondContact O-N 2.94Å; N756-E759 PolarHBondContact ND2-OE2 3.36Å; N756-E759 PolarHBondContact O-N 3.17Å
757E41.9Very low41.9Very low160 Ų160138.1 Ų138.175%0.74871%0.706SS**THydrogen-bonded Turntrans-69.50.2178-67-166.9146.300114.2
758S40.5Very low41.9Very low113 Ų113134.2 Ų134.279%0.7970%0.703SS**THydrogen-bonded Turntrans-90.52.7175.260.30000115.1N756N756-S758 PolarHBondContact O-N 2.94Å
759E42.8Very low42Very low145 Ų145140.2 Ų140.268%0.67872%0.717SS**SBendtrans-119.425.1-179.7-65.2-176.1138.100112.6N756N756-E759 PolarHBondContact ND2-OE2 3.36Å; N756-E759 PolarHBondContact O-N 3.17Å
760L41.1Very low42Very low154 Ų154141.8 Ų141.881%0.80672%0.723SS**SBendtrans-125.217.5178.8-148.872.9000114.2
761E39.7Very low42Very low195 Ų195149.3 Ų149.391%0.91175%0.748SS**  trans-124.936.8168.2-69-163.3135.600111.9
762Q37Very low41.8Very low257 Ų257152.1 Ų152.1100%1.20176%0.763SS**  trans-134.10161.7-75.6-165.1-15.400110.1

Retrieved 762 of 762 residues in 137.1 ms (Link to these results)

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