A0A077Z333_TRITR Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A077Z333, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 93 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
1M54.5Low60.2Low213 Ų213124.2 Ų124.2100%1.04961%0.61SS**  0-26.10-72-173.3169.300113.7S3 R4M1-S3 PolarHBondContact O-N 2.97Å; M1-R4 PolarHBondContact O-N 2.97Å
2L56.1Low60.2Low133 Ų133116.1 Ų116.170%0.69657%0.573SS**Hα-helixtrans-56.8-36.6-179.8-147.791000115.3R4 L5 L6L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.18Å; L2-L5 WeakPolarHBondContact O-CB 3.4Å; L2-L5 PolarHBondContact O-N 3.14Å; L2-L6 HydrophobicContact CD2-CD1 4.12Å; L2-L6 HydrophobicContact CG-CD1 4.49Å; L2-L6 PolarHBondContact O-N 3.01Å
3S64.4Low60.2Low94 Ų94115.2 Ų115.266%0.65757%0.571SS**Hα-helixtrans-68.3-31.5-176.377.60000113.5M1 L5 F7M1-S3 PolarHBondContact O-N 2.97Å; S3-L5 VanDerWaalsContact C-N 3.35Å; S3-F7 WeakPolarHBondContact O-CB 3.38Å; S3-F7 PolarHBondContact O-N 3.38Å
4R56.2Low60.4Low210 Ų210114.1 Ų114.179%0.79257%0.568SS**Hα-helixtrans-66.8-39.2174.5-81.6-177.4151.2-166.5-6.3111.2M1 L2 H8M1-R4 PolarHBondContact O-N 2.97Å; L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.18Å; R4-H8 WeakPolarHBondContact O-CB 3.1Å; R4-H8 PolarHBondContact O-N 3.46Å
5L59Low60.3Low102 Ų102110.8 Ų110.853%0.53456%0.556SS.*Hα-helixtrans-66.4-45.9177.7-155.385.7000110.9L2 S3 H8 H9L2-L5 WeakPolarHBondContact O-CB 3.4Å; L2-L5 PolarHBondContact O-N 3.14Å; S3-L5 VanDerWaalsContact C-N 3.35Å; L5-H8 PolarHBondContact O-N 3.43Å; L5-H9 PolarHBondContact O-N 3.24Å; L5-H9 PolarHBondContact O-ND1 3.41Å
6L63.7Low60.1Low97 Ų97105.6 Ų105.651%0.50854%0.536SS..Hα-helixtrans-60.5-44.7175.4-95.3155.3000112.2L2 H8 H9 L10L2-L6 HydrophobicContact CD2-CD1 4.12Å; L2-L6 HydrophobicContact CG-CD1 4.49Å; L2-L6 PolarHBondContact O-N 3.01Å; L6-H8 VanDerWaalsContact C-N 3.32Å; L6-H8 PolarHBondContact O-N 3.45Å; L6-H9 PolarHBondContact O-N 3.4Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.23Å; L6-L10 PolarHBondContact O-N 2.76Å
7F65.6Low60Low143 Ų143103.3 Ų103.363%0.62752%0.524SS*.Hα-helixtrans-62.3-41.2175.9-175.3-96.6000111.6S3 L10 L11S3-F7 WeakPolarHBondContact O-CB 3.38Å; S3-F7 PolarHBondContact O-N 3.38Å; F7-L10 PolarHBondContact O-N 3.5Å; F7-L11 HydrophobicContact CE1-CD2 4.49Å; F7-L11 VanDerWaalsContact O-CB 3.29Å; F7-L11 WeakPolarHBondContact O-CB 3.38Å; F7-L11 PolarHBondContact O-N 3.41Å
8H55.4Low59.6Low99 Ų99101.4 Ų101.446%0.45852%0.518SS..Hα-helixtrans-64.8-41.7176.3-158.474.3000111.7R4 L5 L6 L11 T12R4-H8 WeakPolarHBondContact O-CB 3.1Å; R4-H8 PolarHBondContact O-N 3.46Å; L5-H8 PolarHBondContact O-N 3.43Å; L6-H8 VanDerWaalsContact C-N 3.32Å; L6-H8 PolarHBondContact O-N 3.45Å; H8-L11 PolarHBondContact O-N 2.62Å; H8-T12 WeakPolarHBondContact O-CB 3.35Å; H8-T12 PolarHBondContact O-N 3.49Å; H8-T12 PolarHBondContact O-OG1 3.37Å
9H58.4Low59.1Low86 Ų8698.9 Ų98.940%0.39851%0.51SS..Hα-helixtrans-65.1-42.8176.8-76.848.4000111.8L5 L6 T12 L13L5-H9 PolarHBondContact O-N 3.24Å; L5-H9 PolarHBondContact O-ND1 3.41Å; L6-H9 PolarHBondContact O-N 3.4Å; H9-T12 PolarHBondContact O-N 2.86Å; H9-L13 VanDerWaalsContact O-CB 3.26Å; H9-L13 WeakPolarHBondContact O-CB 3.46Å; H9-L13 PolarHBondContact O-N 3.46Å
10L64.9Low58.6Low108 Ų10897.8 Ų97.857%0.56551%0.511SS*.Hα-helixtrans-65.3-39.5176.1-72171.2000111.7L6 F7 L13 L14L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.23Å; L6-L10 PolarHBondContact O-N 2.76Å; F7-L10 PolarHBondContact O-N 3.5Å; L10-L13 PolarHBondContact O-N 3.07Å; L10-L14 VanDerWaalsContact O-CB 3.28Å; L10-L14 WeakPolarHBondContact O-CB 2.93Å; L10-L14 PolarHBondContact O-N 2.68Å
11L64.4Low58Low81 Ų8199.8 Ų99.842%0.42452%0.518SS..Hα-helixtrans-66.4-44.8176.3-172.268.2000111.2F7 H8 L13 L14 V15F7-L11 HydrophobicContact CE1-CD2 4.49Å; F7-L11 VanDerWaalsContact O-CB 3.29Å; F7-L11 WeakPolarHBondContact O-CB 3.38Å; F7-L11 PolarHBondContact O-N 3.41Å; H8-L11 PolarHBondContact O-N 2.62Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 3.17Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 2.83Å
12T60.2Low57.5Low27 Ų2797.5 Ų97.517%0.16650%0.504CS..Hα-helixtrans-63.6-40.1175.7-570000111.4H8 H9 V15 A16 F64H8-T12 WeakPolarHBondContact O-CB 3.35Å; H8-T12 PolarHBondContact O-N 3.49Å; H8-T12 PolarHBondContact O-OG1 3.37Å; H9-T12 PolarHBondContact O-N 2.86Å; T12-V15 PolarHBondContact O-N 3.35Å; T12-A16 VanDerWaalsContact O-CB 3.25Å; T12-A16 WeakPolarHBondContact O-CB 3.19Å; T12-A16 PolarHBondContact O-N 3.25Å; T12-F64 HydrophobicContact CG2-CD1 4.29Å; T12-F64 HydrophobicContact CG2-CD2 4.49Å; T12-F64 HydrophobicContact CG2-CE1 4.15Å; T12-F64 HydrophobicContact CG2-CE2 4.38Å; T12-F64 HydrophobicContact CG2-CG 4.45Å; T12-F64 HydrophobicContact CG2-CZ 4.21Å
13L59.9Low56.9Low105 Ų10594 Ų9455%0.5549%0.486SS..Hα-helixtrans-64.7-42.5174.6-162.896.4000111H9 L10 L11 A16 I17H9-L13 VanDerWaalsContact O-CB 3.26Å; H9-L13 WeakPolarHBondContact O-CB 3.46Å; H9-L13 PolarHBondContact O-N 3.46Å; L10-L13 PolarHBondContact O-N 3.07Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.42Å; L13-A16 CarbonylContact O-C 3.58Å; L13-A16 PolarHBondContact O-N 3.28Å; L13-I17 HydrophobicContact CD2-CD1 3.77Å; L13-I17 HydrophobicContact CG-CD1 3.92Å; L13-I17 WeakPolarHBondContact O-CB 3.32Å; L13-I17 WeakPolarHBondContact O-CD1 3.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.05Å; L13-I17 PolarHBondContact O-N 3.12Å
14L62.8Low55.9Low100 Ų10099.5 Ų99.552%0.52449%0.492SS..Hα-helixtrans-62.9-45.8176.5-172.675.9000110.7L10 L11 A16 I17 V18L10-L14 VanDerWaalsContact O-CB 3.28Å; L10-L14 WeakPolarHBondContact O-CB 2.93Å; L10-L14 PolarHBondContact O-N 2.68Å; L11-L14 PolarHBondContact O-N 3.17Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-A16 PolarHBondContact O-N 3.13Å; L14-I17 PolarHBondContact O-N 2.74Å; L14-V18 HydrophobicContact CG-CG2 4.34Å; L14-V18 WeakPolarHBondContact O-CB 3.47Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.33Å
15V58.5Low55.1Low64 Ų6494.1 Ų94.139%0.38848%0.479SS..Hα-helixtrans-63.1-42.5175.6173.80000110.2L11 T12 I17 V18 C19L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 2.83Å; T12-V15 PolarHBondContact O-N 3.35Å; V15-I17 VanDerWaalsContact C-N 3.34Å; V15-I17 PolarHBondContact O-N 3.43Å; V15-V18 PolarHBondContact O-N 3.15Å; V15-C19 WeakPolarHBondContact O-CA 3.24Å; V15-C19 WeakPolarHBondContact O-CB 3.07Å; V15-C19 PolarHBondContact O-N 2.86Å; V15-C19 PolarHBondContact O-SG 2.87Å
16A57.1Low54.4Low28 Ų2891 Ų9123%0.23147%0.465CS..Hα-helixtrans-64.1-37.1175.900000112.3T12 L13 L14 S20T12-A16 VanDerWaalsContact O-CB 3.25Å; T12-A16 WeakPolarHBondContact O-CB 3.19Å; T12-A16 PolarHBondContact O-N 3.25Å; L13-A16 CarbonylContact O-C 3.58Å; L13-A16 PolarHBondContact O-N 3.28Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-A16 PolarHBondContact O-N 3.13Å; A16-S20 WeakPolarHBondContact O-CB 3.5Å; A16-S20 PolarHBondContact O-N 3.47Å; A16-S20 PolarHBondContact O-OG 3.29Å
17I58.9Low53.4Low66 Ų6689.7 Ų89.734%0.33847%0.468SS..Hα-helixtrans-71.9-47176-70164.1000110.6L13 L14 V15 C19 S20 Q21L13-I17 HydrophobicContact CD2-CD1 3.77Å; L13-I17 HydrophobicContact CG-CD1 3.92Å; L13-I17 WeakPolarHBondContact O-CB 3.32Å; L13-I17 WeakPolarHBondContact O-CD1 3.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.05Å; L13-I17 PolarHBondContact O-N 3.12Å; L14-I17 PolarHBondContact O-N 2.74Å; V15-I17 VanDerWaalsContact C-N 3.34Å; V15-I17 PolarHBondContact O-N 3.43Å; I17-C19 VanDerWaalsContact C-N 3.32Å; I17-C19 PolarHBondContact O-N 3.36Å; I17-S20 CarbonylContact O-C 3.59Å; I17-S20 PolarHBondContact O-N 3.27Å; I17-S20 VanDerWaalsContact O-N 3.12Å; I17-Q21 HydrophobicContact CG2-CG 3.93Å; I17-Q21 WeakPolarHBondContact O-CA 2.93Å; I17-Q21 WeakPolarHBondContact O-CB 3.28Å; I17-Q21 VanDerWaalsContact O-CG 3.23Å; I17-Q21 WeakPolarHBondContact O-CG 3.09Å; I17-Q21 PolarHBondContact O-N 3.39Å
18V53.6Low52.4Low70 Ų7084.5 Ų84.542%0.42445%0.448SS..Hα-helixtrans-61.9-44.5176.9170.40000109.6L14 V15 Q21 H22L14-V18 HydrophobicContact CG-CG2 4.34Å; L14-V18 WeakPolarHBondContact O-CB 3.47Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.33Å; V15-V18 PolarHBondContact O-N 3.15Å; V18-Q21 PolarHBondContact O-N 3.21Å; V18-H22 WeakPolarHBondContact O-CB 3.48Å; V18-H22 PolarHBondContact O-N 3.42Å
19C49.3Very low52Low53 Ų5384.2 Ų84.236%0.35845%0.449SS..Hα-helixtrans-59.2-50.3170.4-74.90000109.8V15 I17 Q21 H22 L23V15-C19 WeakPolarHBondContact O-CA 3.24Å; V15-C19 WeakPolarHBondContact O-CB 3.07Å; V15-C19 PolarHBondContact O-N 2.86Å; V15-C19 PolarHBondContact O-SG 2.87Å; I17-C19 VanDerWaalsContact C-N 3.32Å; I17-C19 PolarHBondContact O-N 3.36Å; C19-Q21 VanDerWaalsContact C-N 3.35Å; C19-Q21 PolarHBondContact O-N 3.35Å; C19-H22 CarbonylContact O-C 3.59Å; C19-H22 PolarHBondContact O-N 3.4Å; C19-L23 HydrophobicContact CB-CD1 3.88Å; C19-L23 VanDerWaalsContact O-CA 3.24Å; C19-L23 WeakPolarHBondContact O-CA 3.45Å; C19-L23 WeakPolarHBondContact O-CB 3.3Å; C19-L23 WeakPolarHBondContact O-CD1 3.47Å; C19-L23 WeakPolarHBondContact O-CG 3.42Å; C19-L23 PolarHBondContact O-N 3.36Å
20S48.6Very low51.4Low76 Ų7687 Ų8753%0.53146%0.461SS..Hα-helixtrans-69.1-26.5-178.5-59.80000114.5A16 I17 L23 R24A16-S20 WeakPolarHBondContact O-CB 3.5Å; A16-S20 PolarHBondContact O-N 3.47Å; A16-S20 PolarHBondContact O-OG 3.29Å; I17-S20 CarbonylContact O-C 3.59Å; I17-S20 PolarHBondContact O-N 3.27Å; I17-S20 VanDerWaalsContact O-N 3.12Å; S20-L23 CarbonylContact O-C 3.5Å; S20-R24 PolarHBondContact O-N 3.1Å
21Q46.2Very low50.3Low141 Ų14186.7 Ų86.766%0.65946%0.459SS*.Hα-helixtrans-84.9-36.5179.3-74.1-174.2-2.900111.3I17 V18 C19I17-Q21 HydrophobicContact CG2-CG 3.93Å; I17-Q21 WeakPolarHBondContact O-CA 2.93Å; I17-Q21 WeakPolarHBondContact O-CB 3.28Å; I17-Q21 VanDerWaalsContact O-CG 3.23Å; I17-Q21 WeakPolarHBondContact O-CG 3.09Å; I17-Q21 PolarHBondContact O-N 3.39Å; V18-Q21 PolarHBondContact O-N 3.21Å; C19-Q21 VanDerWaalsContact C-N 3.35Å; C19-Q21 PolarHBondContact O-N 3.35Å
22H44.4Very low49.3Very low164 Ų16493.5 Ų93.576%0.75948%0.479SS*.Hα-helixtrans-79.1-23.5166.9-79.8-81.9000112.7V18 C19 R24V18-H22 WeakPolarHBondContact O-CB 3.48Å; V18-H22 PolarHBondContact O-N 3.42Å; C19-H22 CarbonylContact O-C 3.59Å; C19-H22 PolarHBondContact O-N 3.4Å; H22-R24 VanDerWaalsContact C-N 3.3Å
23L42.7Very low48.6Very low59 Ų5999.6 Ų99.631%0.30950%0.499SS..THydrogen-bonded Turntrans-95.743.9165.7-72.5124.3000110.4C19 S20 L25 F44C19-L23 HydrophobicContact CB-CD1 3.88Å; C19-L23 VanDerWaalsContact O-CA 3.24Å; C19-L23 WeakPolarHBondContact O-CA 3.45Å; C19-L23 WeakPolarHBondContact O-CB 3.3Å; C19-L23 WeakPolarHBondContact O-CD1 3.47Å; C19-L23 WeakPolarHBondContact O-CG 3.42Å; C19-L23 PolarHBondContact O-N 3.36Å; S20-L23 CarbonylContact O-C 3.5Å; L23-L25 PolarHBondContact O-N 3.37Å; L23-F44 HydrophobicContact CD1-CD2 3.95Å; L23-F44 HydrophobicContact CD1-CE2 4.09Å; L23-F44 HydrophobicContact CD1-CG 4.43Å; L23-F44 HydrophobicContact CD2-CD2 3.41Å; L23-F44 VanDerWaalsContact CD2-CD2 3.41Å; L23-F44 HydrophobicContact CD2-CE2 3.64Å; L23-F44 HydrophobicContact CD2-CG 4.47Å; L23-F44 HydrophobicContact CG-CD2 4.34Å; L23-F44 HydrophobicContact CG-CE2 4.41Å
24R43.2Very low47.5Very low211 Ų211101 Ų10180%0.79651%0.514SS*.SBendtrans-62.494.6143-97.6-174.8172.5179.6-1.2106S20 H22S20-R24 PolarHBondContact O-N 3.1Å; H22-R24 VanDerWaalsContact C-N 3.3Å
25L39.4Very low47.2Very low96 Ų96100 Ų10050%0.50353%0.529SS..SBendtrans77.8151.6177.4-58.8113.7000114.6L23 A27L23-L25 PolarHBondContact O-N 3.37Å; L25-A27 PolarHBondContact O-N 3.48Å
26P45.4Very low46.6Very low37 Ų37103.1 Ų103.124%0.2454%0.539CS..  trans-58.592.4159.527.5-32.1000105.7P28P26-P28 WeakPolarHBondContact O-CD 3.49Å; P26-P28 VanDerWaalsContact O-N 3.1Å
27A41.5Very low46.2Very low69 Ų69108.7 Ų108.757%0.5756%0.564SS**  trans-64.3112.9168.500000104.4L25 I29L25-A27 PolarHBondContact O-N 3.48Å; A27-I29 PolarHBondContact O-N 3.26Å
28P45.5Very low45.6Very low34 Ų34106.8 Ų106.822%0.22156%0.555CS.*  trans-57122.6176.822.1-30.8000108.1P26 F30 E39P26-P28 WeakPolarHBondContact O-CD 3.49Å; P26-P28 VanDerWaalsContact O-N 3.1Å; P28-F30 HydrophobicContact CB-CE1 4.44Å; P28-F30 HydrophobicContact CB-CE2 4.27Å; P28-F30 HydrophobicContact CB-CZ 4.12Å; P28-F30 HydrophobicContact CG-CE1 4.35Å; P28-F30 HydrophobicContact CG-CE2 3.71Å; P28-F30 HydrophobicContact CG-CZ 3.6Å; P28-F30 WeakPolarHBondContact O-CD2 3.42Å; P28-F30 PolarHBondContact O-N 2.82Å; P28-F30 VanDerWaalsContact O-N 3.14Å; P28-E39 HydrophobicContact CB-CG 3.53Å; P28-E39 WeakPolarHBondContact CB-OE1 3.17Å; P28-E39 WeakPolarHBondContact CG-OE1 3.37Å
29I47.3Very low45.2Very low93 Ų93105.1 Ų105.148%0.47754%0.543SS..EExtended strand (participates in β ladder)trans-78.1104.4170.7-58.1177.9000104.8A27 L31 Y40A27-I29 PolarHBondContact O-N 3.26Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 HydrophobicContact CG2-CD2 4.44Å; I29-L31 HydrophobicContact CG2-CG 4.15Å; I29-L31 PolarHBondContact O-N 3.29Å; I29-Y40 PolarHBondContact N-O 3.44Å
30F45.4Very low45.1Very low146 Ų146104.8 Ų104.864%0.6454%0.535SS*.EExtended strand (participates in β ladder)trans-73.787.4174.1-63.1-79.1000109.3P28 R32P28-F30 HydrophobicContact CB-CE1 4.44Å; P28-F30 HydrophobicContact CB-CE2 4.27Å; P28-F30 HydrophobicContact CB-CZ 4.12Å; P28-F30 HydrophobicContact CG-CE1 4.35Å; P28-F30 HydrophobicContact CG-CE2 3.71Å; P28-F30 HydrophobicContact CG-CZ 3.6Å; P28-F30 WeakPolarHBondContact O-CD2 3.42Å; P28-F30 PolarHBondContact O-N 2.82Å; P28-F30 VanDerWaalsContact O-N 3.14Å; F30-R32 PolarHBondContact O-N 3.5Å
31L42.6Very low45Very low101 Ų101102.1 Ų102.153%0.52951%0.514SS..EExtended strand (participates in β ladder)trans-79.496.5164.4-69.8171.9000107.7I29 R33 Y40I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 HydrophobicContact CG2-CD2 4.44Å; I29-L31 HydrophobicContact CG2-CG 4.15Å; I29-L31 PolarHBondContact O-N 3.29Å; L31-R33 PolarHBondContact O-N 2.81Å; L31-Y40 HydrophobicContact CB-CD2 3.81Å; L31-Y40 HydrophobicContact CB-CE2 3.66Å; L31-Y40 HydrophobicContact CD1-CD2 3.95Å; L31-Y40 HydrophobicContact CD1-CE2 3.94Å; L31-Y40 HydrophobicContact CD1-CG 4.28Å; L31-Y40 HydrophobicContact CG-CD2 4.2Å; L31-Y40 HydrophobicContact CG-CE2 4.33Å
32R43.4Very low44.9Very low223 Ų22396.2 Ų96.284%0.84249%0.488SS*.EExtended strand (participates in β ladder)trans-68.998.8174.5-170.3177.2-176.8-179.10.5109F30F30-R32 PolarHBondContact O-N 3.5Å
33R44Very low44.9Very low156 Ų15692.4 Ų92.459%0.58947%0.469SS*.EExtended strand (participates in β ladder)trans-72.1135.5156.4-96.3-176-176.9172.32107.9L31 G35 E36L31-R33 PolarHBondContact O-N 2.81Å; R33-G35 PolarHBondContact O-N 3.24Å; R33-E36 PolarHBondContact O-N 3.45Å
34P38.1Very low45Very low133 Ų13395.2 Ų95.286%0.86448%0.479SS*.THydrogen-bonded Turntrans-63.7107.3172.526.1-30.2000108.4
35G55.5Low45Very low81 Ų8190.6 Ų90.684%0.83547%0.465SS*.THydrogen-bonded Turntrans118.3-18.6176.700000116.1R33R33-G35 PolarHBondContact O-N 3.24Å
36E47.1Very low45.2Very low128 Ų12889.7 Ų89.760%0.59846%0.46SS*.EExtended strand (participates in β ladder)trans-143.6126.3-179.6-73.7-177.2148.900111.2R33 V38R33-E36 PolarHBondContact O-N 3.45Å; E36-V38 HydrophobicContact CB-CG2 4.1Å; E36-V38 PolarHBondContact O-N 2.75Å
37L48.2Very low45Very low145 Ų14591.2 Ų91.276%0.75947%0.466SS*.EExtended strand (participates in β ladder)trans-79.994.9167.9-74.7162.7000107.9
38V46.6Very low45.3Very low26 Ų2694.1 Ų94.116%0.15847%0.466CS..EExtended strand (participates in β ladder)trans-101.8119.1172.4-175.60000108.2E36 Y40 V72E36-V38 HydrophobicContact CB-CG2 4.1Å; E36-V38 PolarHBondContact O-N 2.75Å; V38-Y40 HydrophobicContact CB-CE2 3.97Å; V38-Y40 HydrophobicContact CG1-CD2 4.31Å; V38-Y40 HydrophobicContact CG1-CE2 3.8Å; V38-Y40 WeakPolarHBondContact O-CD2 3.14Å; V38-V72 HydrophobicContact CG1-CG1 3.72Å
39E45.8Very low45.6Very low35 Ų3595.7 Ų95.716%0.16447%0.473CS..EExtended strand (participates in β ladder)trans-86.5123.1175.8-165.7170.5173.700109.4P28 H41 F80P28-E39 HydrophobicContact CB-CG 3.53Å; P28-E39 WeakPolarHBondContact CB-OE1 3.17Å; P28-E39 WeakPolarHBondContact CG-OE1 3.37Å; E39-H41 IonicContact OE1-CE1 3.35Å; E39-H41 PolarHBondContact OE1-CE1 2.77Å; E39-H41 IonicContact OE1-NE2 3.62Å; E39-F80 VanDerWaalsContact OE1-CE2 3.25Å; E39-F80 WeakPolarHBondContact OE1-CE2 3.25Å; E39-F80 WeakPolarHBondContact OE1-CZ 3.45Å; E39-F80 WeakPolarHBondContact OE2-CE2 3.41Å
40Y45.4Very low45.8Very low47 Ų4798.2 Ų98.218%0.18448%0.482CS..EExtended strand (participates in β ladder)trans-100.2118.5176.7-69.3-95.9000109.2I29 L31 V38 V72I29-Y40 PolarHBondContact N-O 3.44Å; L31-Y40 HydrophobicContact CB-CD2 3.81Å; L31-Y40 HydrophobicContact CB-CE2 3.66Å; L31-Y40 HydrophobicContact CD1-CD2 3.95Å; L31-Y40 HydrophobicContact CD1-CE2 3.94Å; L31-Y40 HydrophobicContact CD1-CG 4.28Å; L31-Y40 HydrophobicContact CG-CD2 4.2Å; L31-Y40 HydrophobicContact CG-CE2 4.33Å; V38-Y40 HydrophobicContact CB-CE2 3.97Å; V38-Y40 HydrophobicContact CG1-CD2 4.31Å; V38-Y40 HydrophobicContact CG1-CE2 3.8Å; V38-Y40 WeakPolarHBondContact O-CD2 3.14Å; Y40-V72 HydrophobicContact CD1-CG2 3.69Å; Y40-V72 HydrophobicContact CE1-CG1 4.47Å; Y40-V72 HydrophobicContact CE1-CG2 3.49Å; Y40-V72 VanDerWaalsContact CE1-CG2 3.49Å
41H46.8Very low46Very low20 Ų2093.2 Ų93.29%0.09346%0.464CS..EExtended strand (participates in β ladder)trans-95.3117.1170.2-69-72.7000109.8E39 F43 A70 T71 F80E39-H41 IonicContact OE1-CE1 3.35Å; E39-H41 PolarHBondContact OE1-CE1 2.77Å; E39-H41 IonicContact OE1-NE2 3.62Å; H41-F43 HydrophobicContact CB-CD2 4.41Å; H41-F43 HydrophobicContact CB-CE2 3.7Å; H41-F43 HydrophobicContact CB-CZ 4.07Å; H41-A70 CarbonylContact O-C 3.07Å; H41-A70 WeakPolarHBondContact O-CA 3.43Å; H41-T71 PolarHBondContact N-O 2.84Å; H41-T71 PolarHBondContact O-N 3.25Å; H41-F80 AromaticContact CE1-CE2 3.51Å; H41-F80 AromaticContact CE1-CZ 3.65Å; H41-F80 AromaticContact NE2-CE2 3.47Å; H41-F80 WeakPolarHBondContact NE2-CE2 3.49Å
42C44Very low46.5Very low17 Ų1793 Ų9312%0.11547%0.471CS..EExtended strand (participates in β ladder)trans-98.1119.3170.6-62.60000108.8F44 F68C42-F44 HydrophobicContact CB-CE2 4.37Å; C42-F68 HydrophobicContact CB-CD2 4.49Å; C42-F68 HydrophobicContact CB-CE2 3.67Å; C42-F68 HydrophobicContact CB-CZ 4.19Å; C42-F68 WeakPolarHBondContact SG-CE2 3.34Å; C42-F68 WeakPolarHBondContact SG-CZ 3.3Å
43F45.5Very low46.9Very low84 Ų8490.8 Ų90.837%0.36847%0.47SS..EExtended strand (participates in β ladder)trans-102.4132.5171-61.1-84.7000109.3H41 F45 V69H41-F43 HydrophobicContact CB-CD2 4.41Å; H41-F43 HydrophobicContact CB-CE2 3.7Å; H41-F43 HydrophobicContact CB-CZ 4.07Å; F43-F45 HydrophobicContact CB-CD2 4.21Å; F43-F45 HydrophobicContact CB-CE2 3.55Å; F43-F45 HydrophobicContact CB-CZ 4.12Å; F43-F45 HydrophobicContact CG-CE2 4.45Å; F43-V69 HydrophobicContact CB-CB 4.42Å; F43-V69 PolarHBondContact N-O 3.48Å; F43-V69 PolarHBondContact O-N 3.36Å; F43-V69 VanDerWaalsContact O-N 3.07Å
44F44.3Very low47.3Very low118 Ų11890 Ų9052%0.51848%0.478SS..EExtended strand (participates in β ladder)trans-103117.1172.3-66.1-92.7000108.1L23 C42 F68L23-F44 HydrophobicContact CD1-CD2 3.95Å; L23-F44 HydrophobicContact CD1-CE2 4.09Å; L23-F44 HydrophobicContact CD1-CG 4.43Å; L23-F44 HydrophobicContact CD2-CD2 3.41Å; L23-F44 VanDerWaalsContact CD2-CD2 3.41Å; L23-F44 HydrophobicContact CD2-CE2 3.64Å; L23-F44 HydrophobicContact CD2-CG 4.47Å; L23-F44 HydrophobicContact CG-CD2 4.34Å; L23-F44 HydrophobicContact CG-CE2 4.41Å; C42-F44 HydrophobicContact CB-CE2 4.37Å; F44-F68 HydrophobicContact CE1-CD2 4.42Å
45F43.4Very low48Very low114 Ų11487.1 Ų87.150%0.547%0.472SS..EExtended strand (participates in β ladder)trans-104.6121.6172.3-65.7-87.2000109.2F43 Y67 V69F43-F45 HydrophobicContact CB-CD2 4.21Å; F43-F45 HydrophobicContact CB-CE2 3.55Å; F43-F45 HydrophobicContact CB-CZ 4.12Å; F43-F45 HydrophobicContact CG-CE2 4.45Å; F45-Y67 PolarHBondContact N-O 2.88Å; F45-Y67 PolarHBondContact O-N 3.43Å; F45-V69 HydrophobicContact CD2-CB 4.46Å; F45-V69 HydrophobicContact CD2-CG2 3.97Å; F45-V69 HydrophobicContact CE2-CB 4.12Å; F45-V69 HydrophobicContact CE2-CG2 3.92Å
46L44Very low47.9Very low77 Ų7790.3 Ų90.340%0.40347%0.47SS..EExtended strand (participates in β ladder)trans-88106.7166.7-79.7154.7000107.2F48 F66L46-F48 HydrophobicContact CB-CE2 3.86Å; L46-F48 HydrophobicContact CB-CZ 4.31Å; L46-F66 HydrophobicContact CD2-CD1 4.09Å; L46-F66 HydrophobicContact CD2-CE1 3.56Å; L46-F66 HydrophobicContact CD2-CZ 4.2Å
47N40.6Very low48.1Very low69 Ų6990.5 Ų90.537%0.36948%0.475SS..EExtended strand (participates in β ladder)trans-94.5120.3169.2-166.112.8000109.3N49 S65 Y67N47-N49 PolarHBondContact ND2-OD1 2.85Å; N47-S65 PolarHBondContact N-O 2.94Å; N47-S65 PolarHBondContact O-N 2.84Å; N47-Y67 HydrophobicContact CB-CD2 4.29Å; N47-Y67 HydrophobicContact CB-CE2 3.9Å
48F47.2Very low48.3Very low130 Ų13093.3 Ų93.357%0.5748%0.484SS*.EExtended strand (participates in β ladder)trans-95.596.5174.7-64-91.8000107.9L46 H50 F64L46-F48 HydrophobicContact CB-CE2 3.86Å; L46-F48 HydrophobicContact CB-CZ 4.31Å; F48-H50 PolarHBondContact O-N 2.92Å; F48-H50 VanDerWaalsContact O-N 3.08Å; F48-F64 AromaticContact CD1-CD1 3.85Å; F48-F64 HydrophobicContact CD1-CD1 3.85Å; F48-F64 AromaticContact CD1-CE1 3.54Å; F48-F64 HydrophobicContact CD1-CE1 3.54Å; F48-F64 AromaticContact CE1-CD1 3.93Å; F48-F64 HydrophobicContact CE1-CD1 3.93Å; F48-F64 AromaticContact CE1-CE1 3.56Å; F48-F64 HydrophobicContact CE1-CE1 3.56Å
49N52.5Low48.5Very low66 Ų6698.8 Ų98.835%0.35351%0.513SS..EExtended strand (participates in β ladder)trans-77.597.4168.4-75.1-14.7000107.5N47 P51 Q63N47-N49 PolarHBondContact ND2-OD1 2.85Å; N49-P51 WeakPolarHBondContact O-CD 3.29Å; N49-Q63 HydrophobicContact CB-CB 4.45Å; N49-Q63 PolarHBondContact N-O 3.44Å
50H51Low48.5Very low147 Ų14799.8 Ų99.868%0.68153%0.527SS*.PPolyproline II helixtrans-70.6120.7164.4-164.6-72.2000107.1F48 S52F48-H50 PolarHBondContact O-N 2.92Å; F48-H50 VanDerWaalsContact O-N 3.08Å; H50-S52 PolarHBondContact O-N 3.39Å; H50-S52 VanDerWaalsContact O-N 3.12Å
51P50.9Low48.7Very low40 Ų40101.2 Ų101.226%0.2655%0.549SS..PPolyproline II helixtrans-61.1122171.723.4-28.9000107.7N49 H53 A60N49-P51 WeakPolarHBondContact O-CD 3.29Å; P51-H53 PolarHBondContact O-N 3.31Å; P51-A60 HydrophobicContact CB-CB 3.73Å; P51-A60 HydrophobicContact CG-CB 3.45Å; P51-A60 VanDerWaalsContact CG-CB 3.45Å; P51-A60 WeakPolarHBondContact CG-O 3.38Å
52S52.3Low48.9Very low97 Ų97102.7 Ų102.768%0.67856%0.559SS**PPolyproline II helixtrans-54.8132.8174.450.10000108.4H50 D54H50-S52 PolarHBondContact O-N 3.39Å; H50-S52 VanDerWaalsContact O-N 3.12Å; S52-D54 PolarHBondContact O-N 2.83Å
53H52.4Low48.9Very low176 Ų176108 Ų10882%0.81558%0.582SS**  trans-72.957.8-173.4-161.8-68.1000110.9P51 G55P51-H53 PolarHBondContact O-N 3.31Å; H53-G55 PolarHBondContact O-N 2.65Å; H53-G55 VanDerWaalsContact O-N 3.13Å
54D52.3Low48.9Very low141 Ų141106.3 Ų106.375%0.75458%0.575SS**  trans-72.4102161.7-83.8-22.9000106.2S52 N56S52-D54 PolarHBondContact O-N 2.83Å; D54-N56 PolarHBondContact O-N 2.75Å
55G52.6Low48.9Very low72 Ų72101.9 Ų101.974%0.74256%0.559SS**SBendtrans-67.559-162.200000115.9H53H53-G55 PolarHBondContact O-N 2.65Å; H53-G55 VanDerWaalsContact O-N 3.13Å
56N54.2Low48.8Very low148 Ų148102.6 Ų102.679%0.79156%0.562SS**SBendtrans-147.117.4176.3-149.119.8000115.4D54D54-N56 PolarHBondContact O-N 2.75Å
57N50.7Low48.6Very low132 Ų132104.8 Ų104.871%0.70657%0.566SS**  trans-142.3101.5174.7-96-27.4000111.3N59 A60N57-N59 PolarHBondContact O-N 3.44Å; N57-A60 PolarHBondContact O-N 2.88Å
58E52.3Low48.7Very low203 Ų203107.6 Ų107.695%0.94958%0.575SS**THydrogen-bonded Turntrans-61.30.5171.5-54.7-176164.700113.3
59N50.3Low48.4Very low142 Ų142104.2 Ų104.276%0.75956%0.564SS**THydrogen-bonded Turntrans-116.525.9-178.5-77.7-22000113.8N57 A61N57-N59 PolarHBondContact O-N 3.44Å; N59-A61 PolarHBondContact O-N 2.88Å
60A46.8Very low47.9Very low55 Ų55103.3 Ų103.346%0.45557%0.566SS.*  trans-68.879.7175.400000110.6P51 N57 T62P51-A60 HydrophobicContact CB-CB 3.73Å; P51-A60 HydrophobicContact CG-CB 3.45Å; P51-A60 VanDerWaalsContact CG-CB 3.45Å; P51-A60 WeakPolarHBondContact CG-O 3.38Å; N57-A60 PolarHBondContact O-N 2.88Å; A60-T62 PolarHBondContact O-N 3.28Å
61A49.3Very low47.5Very low78 Ų7898.7 Ų98.765%0.64555%0.548SS*.PPolyproline II helixtrans-68.5122.8178.200000109.4N59 Q63N59-A61 PolarHBondContact O-N 2.88Å; A61-Q63 PolarHBondContact O-N 3.49Å; A61-Q63 VanDerWaalsContact O-N 3.13Å
62T49.7Very low46.9Very low51 Ų51100.3 Ų100.331%0.31356%0.558SS.*PPolyproline II helixtrans-53.3117.3169-49.30000109.1A60 F64A60-T62 PolarHBondContact O-N 3.28Å; T62-F64 HydrophobicContact CG2-CE1 3.91Å; T62-F64 HydrophobicContact CG2-CE2 4.13Å; T62-F64 HydrophobicContact CG2-CZ 3.7Å
63Q43.9Very low46.6Very low129 Ų12999.5 Ų99.560%0.60355%0.545SS*.EExtended strand (participates in β ladder)trans-91.2122.7176.2-165.2174.811.700108.5N49 A61N49-Q63 HydrophobicContact CB-CB 4.45Å; N49-Q63 PolarHBondContact N-O 3.44Å; A61-Q63 PolarHBondContact O-N 3.49Å; A61-Q63 VanDerWaalsContact O-N 3.13Å
64F47Very low46.3Very low47 Ų4796.7 Ų96.721%0.20654%0.542CS..EExtended strand (participates in β ladder)trans-97.4121.2174.1-57.3-82.4000108.7T12 F48 T62 F66T12-F64 HydrophobicContact CG2-CD1 4.29Å; T12-F64 HydrophobicContact CG2-CD2 4.49Å; T12-F64 HydrophobicContact CG2-CE1 4.15Å; T12-F64 HydrophobicContact CG2-CE2 4.38Å; T12-F64 HydrophobicContact CG2-CG 4.45Å; T12-F64 HydrophobicContact CG2-CZ 4.21Å; F48-F64 AromaticContact CD1-CD1 3.85Å; F48-F64 HydrophobicContact CD1-CD1 3.85Å; F48-F64 AromaticContact CD1-CE1 3.54Å; F48-F64 HydrophobicContact CD1-CE1 3.54Å; F48-F64 AromaticContact CE1-CD1 3.93Å; F48-F64 HydrophobicContact CE1-CD1 3.93Å; F48-F64 AromaticContact CE1-CE1 3.56Å; F48-F64 HydrophobicContact CE1-CE1 3.56Å; T62-F64 HydrophobicContact CG2-CE1 3.91Å; T62-F64 HydrophobicContact CG2-CE2 4.13Å; T62-F64 HydrophobicContact CG2-CZ 3.7Å; F64-F66 HydrophobicContact CB-CE2 4.46Å
65S44Very low46Very low26 Ų2693.4 Ų93.418%0.18252%0.524CS..EExtended strand (participates in β ladder)trans-109.7125.3172-66.20000109.2N47 Y67N47-S65 PolarHBondContact N-O 2.94Å; N47-S65 PolarHBondContact O-N 2.84Å; S65-Y67 VanDerWaalsContact CB-CE2 3.46Å
66F41.6Very low45.7Very low129 Ų12994 Ų9457%0.56652%0.515SS*.EExtended strand (participates in β ladder)trans-95.8118.4172.6-64.3-88000108.6L46 F64L46-F66 HydrophobicContact CD2-CD1 4.09Å; L46-F66 HydrophobicContact CD2-CE1 3.56Å; L46-F66 HydrophobicContact CD2-CZ 4.2Å; F64-F66 HydrophobicContact CB-CE2 4.46Å
67Y39.9Very low45.4Very low123 Ų12391.9 Ų91.948%0.48251%0.507SS..EExtended strand (participates in β ladder)trans-106.7126172.1-61.2-86.1000109.6F45 N47 S65F45-Y67 PolarHBondContact N-O 2.88Å; F45-Y67 PolarHBondContact O-N 3.43Å; N47-Y67 HydrophobicContact CB-CD2 4.29Å; N47-Y67 HydrophobicContact CB-CE2 3.9Å; S65-Y67 VanDerWaalsContact CB-CE2 3.46Å
68F41.7Very low45.2Very low128 Ų12892.3 Ų92.356%0.56151%0.51SS*.EExtended strand (participates in β ladder)trans-95.1113.7170.8177.4-98.9000108.4C42 F44 A70C42-F68 HydrophobicContact CB-CD2 4.49Å; C42-F68 HydrophobicContact CB-CE2 3.67Å; C42-F68 HydrophobicContact CB-CZ 4.19Å; C42-F68 WeakPolarHBondContact SG-CE2 3.34Å; C42-F68 WeakPolarHBondContact SG-CZ 3.3Å; F44-F68 HydrophobicContact CE1-CD2 4.42Å; F68-A70 HydrophobicContact CD1-CB 4.36Å; F68-A70 HydrophobicContact CE1-CB 3.49Å; F68-A70 VanDerWaalsContact CE1-CB 3.49Å; F68-A70 HydrophobicContact CZ-CB 3.78Å
69V41.8Very low45Very low58 Ų5885.6 Ų85.635%0.35248%0.483SS..EExtended strand (participates in β ladder)trans-112101.6171.8-1790000107.5F43 F45F43-V69 HydrophobicContact CB-CB 4.42Å; F43-V69 PolarHBondContact N-O 3.48Å; F43-V69 PolarHBondContact O-N 3.36Å; F43-V69 VanDerWaalsContact O-N 3.07Å; F45-V69 HydrophobicContact CD2-CB 4.46Å; F45-V69 HydrophobicContact CD2-CG2 3.97Å; F45-V69 HydrophobicContact CE2-CB 4.12Å; F45-V69 HydrophobicContact CE2-CG2 3.92Å
70A41.3Very low44.5Very low47 Ų4781 Ų8139%0.38846%0.456SS..EExtended strand (participates in β ladder)trans-85.4106.4164.600000108.3H41 F68H41-A70 CarbonylContact O-C 3.07Å; H41-A70 WeakPolarHBondContact O-CA 3.43Å; F68-A70 HydrophobicContact CD1-CB 4.36Å; F68-A70 HydrophobicContact CE1-CB 3.49Å; F68-A70 VanDerWaalsContact CE1-CB 3.49Å; F68-A70 HydrophobicContact CZ-CB 3.78Å
71T42Very low44.2Very low50 Ų5088.4 Ų88.431%0.30747%0.472SS..EExtended strand (participates in β ladder)trans-93.6116.1170.9-45.90000108.4H41 L73H41-T71 PolarHBondContact N-O 2.84Å; H41-T71 PolarHBondContact O-N 3.25Å; T71-L73 HydrophobicContact CG2-CD1 3.49Å; T71-L73 VanDerWaalsContact CG2-CD1 3.49Å; T71-L73 HydrophobicContact CG2-CG 4.08Å; T71-L73 PolarHBondContact O-N 3.2Å
72V39.7Very low43.8Very low75 Ų7591.2 Ų91.246%0.45547%0.472SS..EExtended strand (participates in β ladder)trans-84.394.4168.6-1740000106.7V38 Y40 P74V38-V72 HydrophobicContact CG1-CG1 3.72Å; Y40-V72 HydrophobicContact CD1-CG2 3.69Å; Y40-V72 HydrophobicContact CE1-CG1 4.47Å; Y40-V72 HydrophobicContact CE1-CG2 3.49Å; Y40-V72 VanDerWaalsContact CE1-CG2 3.49Å; V72-P74 WeakPolarHBondContact O-CD 3.44Å
73L45.9Very low43.5Very low79 Ų7993 Ų9341%0.41448%0.482SS..  trans-95.9112.2167.7-89.7127.2000107.7T71 L75T71-L73 HydrophobicContact CG2-CD1 3.49Å; T71-L73 VanDerWaalsContact CG2-CD1 3.49Å; T71-L73 HydrophobicContact CG2-CG 4.08Å; T71-L73 PolarHBondContact O-N 3.2Å; L73-L75 HydrophobicContact CB-CD1 3.87Å; L73-L75 HydrophobicContact CB-CG 4.08Å; L73-L75 HydrophobicContact CD2-CD1 4.14Å; L73-L75 HydrophobicContact CD2-CG 4.28Å; L73-L75 HydrophobicContact CG-CD1 4.49Å; L73-L75 PolarHBondContact O-N 3.07Å
74P45.3Very low43.4Very low117 Ų11791 Ų9176%0.7648%0.475SS*.  trans-7279.1167.230.3-32000108.2V72V72-P74 WeakPolarHBondContact O-CD 3.44Å
75L47.1Very low43.2Very low72 Ų7296.1 Ų96.138%0.37750%0.498SS..  trans-91.4130.1173.7-80.7158.6000108.9L73 V77 T79L73-L75 HydrophobicContact CB-CD1 3.87Å; L73-L75 HydrophobicContact CB-CG 4.08Å; L73-L75 HydrophobicContact CD2-CD1 4.14Å; L73-L75 HydrophobicContact CD2-CG 4.28Å; L73-L75 HydrophobicContact CG-CD1 4.49Å; L73-L75 PolarHBondContact O-N 3.07Å; L75-V77 PolarHBondContact O-N 3.29Å; L75-T79 HydrophobicContact CD2-CG2 4.13Å
76P46Very low43.2Very low85 Ų85103.3 Ų103.355%0.55252%0.522SS*.  trans-62.5135.217018.1-20.2000109.1N78 T79P76-N78 PolarHBondContact O-N 3.36Å; P76-T79 PolarHBondContact O-N 3.4Å; P76-T79 PolarHBondContact O-OG1 2.93Å
77V47.9Very low43.1Very low103 Ų103103.1 Ų103.162%0.62452%0.517SS*.Hα-helixtrans-48-28.4-175.9178.90000113.1L75 F80L75-V77 PolarHBondContact O-N 3.29Å; V77-F80 WeakPolarHBondContact O-CB 3.26Å; V77-F80 PolarHBondContact O-N 2.99Å
78N45.6Very low43.1Very low141 Ų141103.6 Ų103.675%0.75452%0.524SS*.Hα-helixtrans-71.1-28.3179.2-69.5-15.5000114.2P76 F80P76-N78 PolarHBondContact O-N 3.36Å; N78-F80 VanDerWaalsContact C-N 3.28Å; N78-F80 PolarHBondContact O-N 3.23Å
79T47.4Very low43Very low62 Ų62104.1 Ų104.138%0.3853%0.528SS..Hα-helixtrans-73.3-26.5177.7-460000111.3L75 P76 R81 H82 V83L75-T79 HydrophobicContact CD2-CG2 4.13Å; P76-T79 PolarHBondContact O-N 3.4Å; P76-T79 PolarHBondContact O-OG1 2.93Å; T79-R81 PolarHBondContact O-N 2.87Å; T79-H82 PolarHBondContact O-N 3.46Å; T79-V83 PolarHBondContact O-N 3.22Å
80F41.2Very low43Very low47 Ų47107.5 Ų107.521%0.20654%0.543CS..Hα-helixtrans-66.4-35.4-174.7-151.3-99.4000113.5E39 H41 V77 N78 H82 V83 L84E39-F80 VanDerWaalsContact OE1-CE2 3.25Å; E39-F80 WeakPolarHBondContact OE1-CE2 3.25Å; E39-F80 WeakPolarHBondContact OE1-CZ 3.45Å; E39-F80 WeakPolarHBondContact OE2-CE2 3.41Å; H41-F80 AromaticContact CE1-CE2 3.51Å; H41-F80 AromaticContact CE1-CZ 3.65Å; H41-F80 AromaticContact NE2-CE2 3.47Å; H41-F80 WeakPolarHBondContact NE2-CE2 3.49Å; V77-F80 WeakPolarHBondContact O-CB 3.26Å; V77-F80 PolarHBondContact O-N 2.99Å; N78-F80 VanDerWaalsContact C-N 3.28Å; N78-F80 PolarHBondContact O-N 3.23Å; F80-H82 PolarHBondContact O-N 3.25Å; F80-V83 PolarHBondContact O-N 3.04Å; F80-L84 HydrophobicContact CD1-CD1 3.64Å; F80-L84 HydrophobicContact CD1-CG 4.24Å; F80-L84 HydrophobicContact CE1-CD1 3.63Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 PolarHBondContact O-N 2.86Å; F80-L84 VanDerWaalsContact O-N 3.13Å
81R40.6Very low42.8Very low209 Ų209111.1 Ų111.179%0.78956%0.556SS**Hα-helixtrans-64.6-28.8179.7-139178.9-141.3-136.82.9112.8T79 K85T79-R81 PolarHBondContact O-N 2.87Å; R81-K85 PolarHBondContact O-N 3.22Å
82H41Very low43Very low138 Ų138117.4 Ų117.464%0.63958%0.579SS**Hα-helixtrans-78.8-37.3177-85.9-90.8000112.4T79 F80 K85 Y86T79-H82 PolarHBondContact O-N 3.46Å; F80-H82 PolarHBondContact O-N 3.25Å; H82-K85 PolarHBondContact O-N 3.36Å; H82-Y86 PolarHBondContact O-N 3.37Å; H82-Y86 VanDerWaalsContact O-N 3.1Å
83V42.1Very low43.1Very low87 Ų87120.8 Ų120.853%0.52761%0.606SS.*Hα-helixtrans-68.9-38.8179179.40000111.2T79 F80 Y86 R87T79-V83 PolarHBondContact O-N 3.22Å; F80-V83 PolarHBondContact O-N 3.04Å; V83-Y86 PolarHBondContact O-N 3.13Å; V83-R87 PolarHBondContact O-N 3.34Å
84L41.9Very low43Very low88 Ų88122.9 Ų122.946%0.46162%0.616SS.*Hα-helixtrans-64.6-43.8174.6-80.7166.7000112.6F80 Y86 R87 E88F80-L84 HydrophobicContact CD1-CD1 3.64Å; F80-L84 HydrophobicContact CD1-CG 4.24Å; F80-L84 HydrophobicContact CE1-CD1 3.63Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 PolarHBondContact O-N 2.86Å; F80-L84 VanDerWaalsContact O-N 3.13Å; L84-Y86 VanDerWaalsContact C-N 3.28Å; L84-Y86 PolarHBondContact O-N 3.31Å; L84-R87 PolarHBondContact O-N 3.08Å; L84-R87 VanDerWaalsContact O-N 3.15Å; L84-E88 PolarHBondContact O-N 3.12Å
85K42.4Very low42.9Very low155 Ų155123.2 Ų123.267%0.67461%0.608SS**Hα-helixtrans-60.5-36.6175.1-98.5-173.7171.5-173.10112.9R81 H82 R87 H89R81-K85 PolarHBondContact O-N 3.22Å; H82-K85 PolarHBondContact O-N 3.36Å; K85-R87 VanDerWaalsContact C-N 3.31Å; K85-H89 PolarHBondContact O-N 2.9Å
86Y44.2Very low42.6Very low177 Ų177126.1 Ų126.169%0.69462%0.621SS**Hα-helixtrans-69.1-30.7177.8-121.1-89.7000112.7H82 V83 L84 L90H82-Y86 PolarHBondContact O-N 3.37Å; H82-Y86 VanDerWaalsContact O-N 3.1Å; V83-Y86 PolarHBondContact O-N 3.13Å; L84-Y86 VanDerWaalsContact C-N 3.28Å; L84-Y86 PolarHBondContact O-N 3.31Å; Y86-L90 HydrophobicContact CD1-CD1 4.42Å; Y86-L90 PolarHBondContact O-N 3.32Å
87R39.6Very low42.4Very low125 Ų125128.5 Ų128.547%0.47263%0.625SS.*Hα-helixtrans-78.9-33.2-177.2-147.5-177.1-176.9-164.3-0.3113V83 L84 K85 H89 L90 L91V83-R87 PolarHBondContact O-N 3.34Å; L84-R87 PolarHBondContact O-N 3.08Å; L84-R87 VanDerWaalsContact O-N 3.15Å; K85-R87 VanDerWaalsContact C-N 3.31Å; R87-H89 VanDerWaalsContact C-N 3.3Å; R87-L90 PolarHBondContact O-N 2.75Å; R87-L91 HydrophobicContact CG-CD1 4.44Å; R87-L91 PolarHBondContact O-N 3.29Å
88E40.7Very low42.1Very low133 Ų133130.1 Ų130.162%0.62163%0.625SS**Hα-helixtrans-64.4-37.6170.8-72-175.9150.500111.3L84 L90 L91 F92L84-E88 PolarHBondContact O-N 3.12Å; E88-L90 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 2.76Å; E88-L91 PolarHBondContact O-N 2.74Å; E88-F92 WeakPolarHBondContact O-CD2 3.39Å; E88-F92 PolarHBondContact O-N 3.13Å
89H40.1Very low41.8Very low138 Ų138129.3 Ų129.364%0.63962%0.616SS**Hα-helixtrans-69.1-24.8178.7-127.9-60.9000113.9K85 R87K85-H89 PolarHBondContact O-N 2.9Å; R87-H89 VanDerWaalsContact C-N 3.3Å
90L40.2Very low41.4Very low130 Ų130134.1 Ų134.168%0.68163%0.633SS**Hα-helixtrans-89.2-15.6179.2-91.7155.8000114Y86 R87 E88Y86-L90 HydrophobicContact CD1-CD1 4.42Å; Y86-L90 PolarHBondContact O-N 3.32Å; R87-L90 PolarHBondContact O-N 2.75Å; E88-L90 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 2.76Å
91L38Very low41.5Very low123 Ų123140.8 Ų140.864%0.64467%0.666SS**Hα-helixtrans-99.7-11.3-179.8-74.6165.2000113.2R87 E88R87-L91 HydrophobicContact CG-CD1 4.44Å; R87-L91 PolarHBondContact O-N 3.29Å; E88-L91 PolarHBondContact O-N 2.74Å
92F46.3Very low41.5Very low182 Ų182135.2 Ų135.280%0.79866%0.656SS**  trans-128.916.2-176.1-68.5-80.9000114.2E88E88-F92 WeakPolarHBondContact O-CD2 3.39Å; E88-F92 PolarHBondContact O-N 3.13Å
93S42Very low41.6Very low146 Ų146134.9 Ų134.9100%1.02166%0.657SS**  trans-116.40166.2-75.70000109.9

Retrieved 93 of 93 residues in 73.9 ms (Link to these results)