A0A061IPK1_CRIGR Loading...

Ribonuclease pancreatic

Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single-stranded and double-stranded RNA.

AlphaFold DB , UniProt , Accession A0A061IPK1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ear7, Length 157 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
1M52Low68.4Low236 Ų236124.7 Ų124.7100%1.16366%0.661SS**  06.30-72.5174.9-177.400114.5
2G57.4Low69.5Low56 Ų56123 Ų12358%0.57765%0.651SS**  trans-84.5-30-176.300000116.5L5 L6G2-L5 PolarHBondContact O-N 3.46Å; G2-L6 PolarHBondContact O-N 2.93Å
3V59.7Low70.5Confident116 Ų116123 Ų12370%0.70365%0.65SS**Hα-helixtrans-71.1-42.3-172.9-176.10000112.5L5 L6 E7V3-L5 VanDerWaalsContact C-N 3.29Å; V3-L5 PolarHBondContact O-N 2.79Å; V3-L6 PolarHBondContact O-N 2.96Å; V3-E7 PolarHBondContact O-N 3.36Å; V3-E7 VanDerWaalsContact O-N 3.11Å
4K61.5Low71.4Confident178 Ų178122.4 Ų122.477%0.77465%0.647SS**Hα-helixtrans-64.5-31.3177.8-67.6-168175.8-172.40113.3S8K4-S8 WeakPolarHBondContact O-CB 3.19Å; K4-S8 PolarHBondContact O-N 2.88Å; K4-S8 VanDerWaalsContact O-N 3.12Å
5L61.7Low71.8Confident109 Ų109120.5 Ų120.557%0.57164%0.637SS**Hα-helixtrans-74.4-34.8179.1-151.987.1000111.4G2 V3 R9G2-L5 PolarHBondContact O-N 3.46Å; V3-L5 VanDerWaalsContact C-N 3.29Å; V3-L5 PolarHBondContact O-N 2.79Å; L5-R9 WeakPolarHBondContact O-CG 3.27Å; L5-R9 PolarHBondContact O-N 2.79Å; L5-R9 VanDerWaalsContact O-N 3.13Å
6L65.1Low72Confident127 Ų127118.9 Ų118.967%0.66563%0.628SS**Hα-helixtrans-71-43.2176.7-173.863.7000111.7G2 V3 R9 L10G2-L6 PolarHBondContact O-N 2.93Å; V3-L6 PolarHBondContact O-N 2.96Å; L6-R9 PolarHBondContact O-N 2.63Å; L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 PolarHBondContact O-N 2.94Å
7E73.3Confident71.7Confident131 Ų131114.1 Ų114.161%0.61261%0.613SS**Hα-helixtrans-62.5-43.9173.8-79.3-159142.600112.4V3 R9 L10 C11V3-E7 PolarHBondContact O-N 3.36Å; V3-E7 VanDerWaalsContact O-N 3.11Å; E7-R9 VanDerWaalsContact C-N 3.33Å; E7-R9 PolarHBondContact O-N 3.09Å; E7-L10 PolarHBondContact O-N 3.37Å; E7-C11 WeakPolarHBondContact O-CB 3.46Å; E7-C11 PolarHBondContact O-N 3.37Å
8S77.6Confident71.4Confident79 Ų79115.1 Ų115.155%0.55261%0.611SS**Hα-helixtrans-61.5-41.1177.7177.80000112.1K4 L12K4-S8 WeakPolarHBondContact O-CB 3.19Å; K4-S8 PolarHBondContact O-N 2.88Å; K4-S8 VanDerWaalsContact O-N 3.12Å; S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 PolarHBondContact O-N 2.96Å
9R79.8Confident70.7Confident165 Ų165116.6 Ų116.662%0.62361%0.612SS**Hα-helixtrans-66-41.4174.6-76.4-177.5178.7-154.50.7112.3L5 L6 E7 L12 L13L5-R9 WeakPolarHBondContact O-CG 3.27Å; L5-R9 PolarHBondContact O-N 2.79Å; L5-R9 VanDerWaalsContact O-N 3.13Å; L6-R9 PolarHBondContact O-N 2.63Å; E7-R9 VanDerWaalsContact C-N 3.33Å; E7-R9 PolarHBondContact O-N 3.09Å; R9-L12 PolarHBondContact O-N 2.91Å; R9-L13 VanDerWaalsContact O-CG 3.3Å; R9-L13 WeakPolarHBondContact O-CG 3.32Å; R9-L13 PolarHBondContact O-N 3.22Å
10L82.6Confident70.2Confident102 Ų102116 Ų11653%0.53461%0.609SS.*Hα-helixtrans-64.3-45.5177.2-173.465.2000111.1L6 E7 L12 L13 L14L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 PolarHBondContact O-N 2.94Å; E7-L10 PolarHBondContact O-N 3.37Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.13Å; L10-L13 PolarHBondContact O-N 2.84Å; L10-L14 HydrophobicContact CG-CD1 4.16Å; L10-L14 WeakPolarHBondContact O-CB 3.32Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 2.75Å
11C82.3Confident69.4Low73 Ų73116.2 Ų116.249%0.49361%0.608SS.*Hα-helixtrans-58.1-43.8173.6-79.10000111.9E7 L14 L15E7-C11 WeakPolarHBondContact O-CB 3.46Å; E7-C11 PolarHBondContact O-N 3.37Å; C11-L14 PolarHBondContact O-N 2.9Å; C11-L15 WeakPolarHBondContact O-CB 3.34Å; C11-L15 VanDerWaalsContact O-CG 3.22Å; C11-L15 WeakPolarHBondContact O-CG 3.48Å; C11-L15 PolarHBondContact O-N 2.9Å
12L81.1Confident69.6Low104 Ų104108 Ų10855%0.54557%0.571SS.*Hα-helixtrans-63.4-42.5177.7-173.967.5000112.1S8 R9 L10 L15 L16S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 PolarHBondContact O-N 2.96Å; R9-L12 PolarHBondContact O-N 2.91Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.13Å; L12-L15 PolarHBondContact O-N 3.25Å; L12-L16 HydrophobicContact CD1-CD1 4.1Å; L12-L16 HydrophobicContact CG-CD1 3.98Å; L12-L16 WeakPolarHBondContact O-CD1 3.48Å; L12-L16 PolarHBondContact O-N 2.88Å
13L83.3Confident69.4Low123 Ų123107 Ų10764%0.64456%0.557SS**Hα-helixtrans-65.5-40.2177-70.3170000112.1R9 L10 L16 G17R9-L13 VanDerWaalsContact O-CG 3.3Å; R9-L13 WeakPolarHBondContact O-CG 3.32Å; R9-L13 PolarHBondContact O-N 3.22Å; L10-L13 PolarHBondContact O-N 2.84Å; L13-L16 PolarHBondContact O-N 3.35Å; L13-G17 PolarHBondContact O-N 2.75Å
14L82.3Confident69.1Low114 Ų114105.7 Ų105.760%0.59755%0.553SS**Hα-helixtrans-63.7-43.5174.8-71.6169.1000111.4L10 C11 G17 F18L10-L14 HydrophobicContact CG-CD1 4.16Å; L10-L14 WeakPolarHBondContact O-CB 3.32Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 2.75Å; C11-L14 PolarHBondContact O-N 2.9Å; L14-G17 PolarHBondContact O-N 3.14Å; L14-F18 WeakPolarHBondContact O-CB 3.35Å; L14-F18 PolarHBondContact O-N 3.2Å
15L78.1Confident68.9Low95 Ų95105.1 Ų105.150%0.49755%0.551SS.*Hα-helixtrans-62.9-46.6175.3-72168000111.2C11 L12 G17 F18 F19C11-L15 WeakPolarHBondContact O-CB 3.34Å; C11-L15 VanDerWaalsContact O-CG 3.22Å; C11-L15 WeakPolarHBondContact O-CG 3.48Å; C11-L15 PolarHBondContact O-N 2.9Å; L12-L15 PolarHBondContact O-N 3.25Å; L15-G17 VanDerWaalsContact C-N 3.34Å; L15-G17 PolarHBondContact O-N 3.31Å; L15-F18 PolarHBondContact O-N 3.36Å; L15-F19 WeakPolarHBondContact O-CD2 3.37Å; L15-F19 PolarHBondContact O-N 3.07Å
16L75.2Confident69.4Low94 Ų94105.8 Ų105.849%0.49255%0.551SS.*Hα-helixtrans-59.4-44.5175.3-105.3106.5000111.9L12 L13 F18 F19 I20L12-L16 HydrophobicContact CD1-CD1 4.1Å; L12-L16 HydrophobicContact CG-CD1 3.98Å; L12-L16 WeakPolarHBondContact O-CD1 3.48Å; L12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 3.35Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 3.46Å; L16-F19 PolarHBondContact O-N 3.04Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 2.8Å
17G66.8Low70.4Confident37 Ų37103.1 Ų103.138%0.38154%0.537SS..Hα-helixtrans-59.1-42.3175.800000112.3L13 L14 L15 M21L13-G17 PolarHBondContact O-N 2.75Å; L14-G17 PolarHBondContact O-N 3.14Å; L15-G17 VanDerWaalsContact C-N 3.34Å; L15-G17 PolarHBondContact O-N 3.31Å; G17-M21 PolarHBondContact O-N 3.27Å; G17-M21 VanDerWaalsContact O-N 3.12Å
18F65.3Low71.2Confident132 Ų13298 Ų9858%0.57952%0.515SS*.Hα-helixtrans-64.9-45.1176.5-173.8-103.3000112.4L14 L15 L16 I20 M21 V22L14-F18 WeakPolarHBondContact O-CB 3.35Å; L14-F18 PolarHBondContact O-N 3.2Å; L15-F18 PolarHBondContact O-N 3.36Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 3.46Å; F18-I20 PolarHBondContact O-N 3.23Å; F18-M21 WeakPolarHBondContact O-CB 3.16Å; F18-M21 PolarHBondContact O-N 3.02Å; F18-V22 HydrophobicContact CD1-CG2 4.16Å; F18-V22 HydrophobicContact CE1-CG2 3.79Å; F18-V22 HydrophobicContact CE2-CG2 4.27Å; F18-V22 HydrophobicContact CZ-CG2 3.85Å; F18-V22 WeakPolarHBondContact O-CG2 3.38Å; F18-V22 PolarHBondContact O-N 3.15Å
19F59.5Low71.5Confident144 Ų144106.2 Ų106.263%0.63253%0.534SS*.Hα-helixtrans-62.2-39.8177.5-81.8-68.6000113L15 L16 V22 A23L15-F19 WeakPolarHBondContact O-CD2 3.37Å; L15-F19 PolarHBondContact O-N 3.07Å; L16-F19 PolarHBondContact O-N 3.04Å; F19-V22 PolarHBondContact O-N 3.3Å; F19-A23 WeakPolarHBondContact O-CB 3.29Å; F19-A23 PolarHBondContact O-N 3.4Å; F19-A23 VanDerWaalsContact O-N 3.14Å
20I58.9Low72Confident105 Ų105105.8 Ų105.854%0.53854%0.544SS..Hα-helixtrans-65.5-40177-66.4166.7000110.9L16 F18 S24L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 2.8Å; F18-I20 PolarHBondContact O-N 3.23Å; I20-S24 PolarHBondContact O-OG 3.09Å
21M54.3Low72.6Confident120 Ų120102.6 Ų102.659%0.59153%0.527SS*.Hα-helixtrans-61-52.8174.1-92.9-104.4-76.700112G17 F18 A23 S24 F25G17-M21 PolarHBondContact O-N 3.27Å; G17-M21 VanDerWaalsContact O-N 3.12Å; F18-M21 WeakPolarHBondContact O-CB 3.16Å; F18-M21 PolarHBondContact O-N 3.02Å; M21-A23 VanDerWaalsContact C-N 3.32Å; M21-A23 PolarHBondContact O-N 2.96Å; M21-S24 WeakPolarHBondContact O-CB 3.42Å; M21-S24 PolarHBondContact O-N 2.85Å; M21-S24 VanDerWaalsContact O-N 3.07Å; M21-F25 VanDerWaalsContact O-CD2 3.26Å; M21-F25 WeakPolarHBondContact O-CD2 3.46Å; M21-F25 HydrophobicContact SD-CE2 4.49Å
22V55.6Low73.3Confident65 Ų6599.5 Ų99.539%0.39451%0.506SS..Hα-helixtrans-61.5-39.8-176.61760000111.9F18 F19 S24 F25 Q26F18-V22 HydrophobicContact CD1-CG2 4.16Å; F18-V22 HydrophobicContact CE1-CG2 3.79Å; F18-V22 HydrophobicContact CE2-CG2 4.27Å; F18-V22 HydrophobicContact CZ-CG2 3.85Å; F18-V22 WeakPolarHBondContact O-CG2 3.38Å; F18-V22 PolarHBondContact O-N 3.15Å; F19-V22 PolarHBondContact O-N 3.3Å; V22-S24 PolarHBondContact O-N 3.38Å; V22-F25 PolarHBondContact O-N 3.17Å; V22-Q26 WeakPolarHBondContact O-CG 3.33Å
23A53Low74.1Confident34 Ų3496.2 Ų96.228%0.28149%0.491SS..Hα-helixtrans-63.1-23.6178.500000113.5F19 M21 F25F19-A23 WeakPolarHBondContact O-CB 3.29Å; F19-A23 PolarHBondContact O-N 3.4Å; F19-A23 VanDerWaalsContact O-N 3.14Å; M21-A23 VanDerWaalsContact C-N 3.32Å; M21-A23 PolarHBondContact O-N 2.96Å; A23-F25 VanDerWaalsContact C-N 3.32Å; A23-F25 PolarHBondContact O-N 2.94Å
24S53.6Low74.8Confident89 Ų8990.6 Ų90.662%0.62246%0.462SS*.THydrogen-bonded Turntrans-78.4-15.3-177.8-57.20000113.5I20 M21 V22I20-S24 PolarHBondContact O-OG 3.09Å; M21-S24 WeakPolarHBondContact O-CB 3.42Å; M21-S24 PolarHBondContact O-N 2.85Å; M21-S24 VanDerWaalsContact O-N 3.07Å; V22-S24 PolarHBondContact O-N 3.38Å
25F57.4Low75.6Confident165 Ų16587.9 Ų87.972%0.72445%0.446SS*.THydrogen-bonded Turntrans-102.57.2179.5-67.1-78.3000113.6M21 V22 A23M21-F25 VanDerWaalsContact O-CD2 3.26Å; M21-F25 WeakPolarHBondContact O-CD2 3.46Å; M21-F25 HydrophobicContact SD-CE2 4.49Å; V22-F25 PolarHBondContact O-N 3.17Å; A23-F25 VanDerWaalsContact C-N 3.32Å; A23-F25 PolarHBondContact O-N 2.94Å
26Q73.6Confident76.5Confident123 Ų12384.3 Ų84.358%0.57543%0.426SS*.PPolyproline II helixtrans-81.4126-174.3-64.5-167.4-21.700111.9V22V22-Q26 WeakPolarHBondContact O-CG 3.33Å
27I85.3Confident77.6Confident72 Ų7280 Ų8037%0.36940%0.403SS..PPolyproline II helixtrans-70.2132166-59.1170.2000107.5R29 L31 P33 W36I27-R29 PolarHBondContact O-N 3.14Å; I27-L31 HydrophobicContact CG2-CB 4.21Å; I27-L31 WeakPolarHBondContact CG2-O 3.39Å; I27-P33 HydrophobicContact CD1-CB 3.88Å; I27-P33 HydrophobicContact CD1-CG 3.73Å; I27-W36 HydrophobicContact CG2-CB 3.99Å; I27-W36 HydrophobicContact CG2-CG 4.23Å
28P90.8Very high79.1Confident22 Ų2282 Ų8214%0.14340%0.403CS..PPolyproline II helixtrans-54.7138.1174.7-25.634.5000111.7N30 L31 W36 Y60P28-N30 PolarHBondContact O-N 3.12Å; P28-L31 HydrophobicContact CB-CD1 4Å; P28-L31 HydrophobicContact CB-CG 4.26Å; P28-L31 HydrophobicContact CG-CD1 3.92Å; P28-L31 PolarHBondContact O-N 3.33Å; P28-W36 HydrophobicContact CG-CD2 4.12Å; P28-W36 HydrophobicContact CG-CE3 4.02Å; P28-W36 HydrophobicContact CG-CH2 4.3Å; P28-W36 HydrophobicContact CG-CZ2 4.37Å; P28-W36 HydrophobicContact CG-CZ3 4.11Å; P28-Y60 HydrophobicContact CB-CD1 4.24Å; P28-Y60 HydrophobicContact CG-CD1 4.22Å; P28-Y60 HydrophobicContact CG-CG 4.33Å
29R83.6Confident80.6Confident253 Ų25378.1 Ų78.196%0.95539%0.387SS*.THydrogen-bonded Turntrans-55.1-21.1-168.1-71.7-176.8178.9166.3-0.4116I27I27-R29 PolarHBondContact O-N 3.14Å
30N89.5Confident82.4Confident155 Ų15572.2 Ų72.283%0.82936%0.362SS*.THydrogen-bonded Turntrans-109.215.6-176.6-62.4-16.1000113.2P28P28-N30 PolarHBondContact O-N 3.12Å
31L95.8Very high84.2Confident35 Ų3568.2 Ų68.218%0.18334%0.341CS..  trans-120.9143178.7-62.4-179.6000110.9I27 P28 Q35 W36 I39 Y60I27-L31 HydrophobicContact CG2-CB 4.21Å; I27-L31 WeakPolarHBondContact CG2-O 3.39Å; P28-L31 HydrophobicContact CB-CD1 4Å; P28-L31 HydrophobicContact CB-CG 4.26Å; P28-L31 HydrophobicContact CG-CD1 3.92Å; P28-L31 PolarHBondContact O-N 3.33Å; L31-Q35 HydrophobicContact CB-CB 4.35Å; L31-Q35 HydrophobicContact CD2-CB 4.14Å; L31-W36 HydrophobicContact CB-CB 4.37Å; L31-W36 HydrophobicContact CD1-CB 4.22Å; L31-W36 HydrophobicContact CD1-CD2 4.29Å; L31-W36 HydrophobicContact CD1-CE3 3.62Å; L31-W36 HydrophobicContact CD1-CZ3 4.4Å; L31-I39 HydrophobicContact CD1-CD1 3.61Å; L31-I39 HydrophobicContact CD2-CD1 4.07Å; L31-Y60 HydrophobicContact CD1-CD1 3.74Å; L31-Y60 HydrophobicContact CD1-CE1 3.75Å; L31-Y60 HydrophobicContact CD1-CG 4.43Å; L31-Y60 HydrophobicContact CD2-CE1 4.26Å; L31-Y60 HydrophobicContact CG-CD1 4.49Å; L31-Y60 HydrophobicContact CG-CE1 4.29Å
32T97.2Very high86.3Confident8 Ų863.5 Ų63.55%0.04932%0.319CS..  trans-71.9161.5162.972.80000109.8S34 Q35 W36 K139 Q141 D142T32-S34 PolarHBondContact O-N 3.01Å; T32-S34 PolarHBondContact OG1-N 3.11Å; T32-Q35 PolarHBondContact O-N 3.24Å; T32-Q35 VanDerWaalsContact OG1-CG 3.29Å; T32-Q35 WeakPolarHBondContact OG1-CG 3.43Å; T32-Q35 PolarHBondContact OG1-N 2.89Å; T32-W36 PolarHBondContact O-N 2.81Å; T32-K139 HydrophobicContact CG2-CB 3.82Å; T32-K139 HydrophobicContact CG2-CG 4.19Å; T32-Q141 HydrophobicContact CG2-CB 3.8Å; T32-D142 VanDerWaalsContact CB-OD1 3.29Å; T32-D142 WeakPolarHBondContact CB-OD1 3.22Å; T32-D142 WeakPolarHBondContact CG2-OD1 3.02Å; T32-D142 PolarHBondContact OG1-OD1 3.39Å
33P97.4Very high88.3Confident36 Ų3661.7 Ų61.723%0.23431%0.307CS..Hα-helixtrans-54.5-36.6170.5-24.232.7000113.1I27 F37 V151I27-P33 HydrophobicContact CD1-CB 3.88Å; I27-P33 HydrophobicContact CD1-CG 3.73Å; P33-F37 WeakPolarHBondContact O-CB 3.16Å; P33-F37 PolarHBondContact O-N 3.28Å; P33-V151 HydrophobicContact CB-CB 3.8Å; P33-V151 HydrophobicContact CB-CG1 3.8Å
34S98.1Very high90.2Very high4 Ų466.6 Ų66.63%0.02833%0.328CS..Hα-helixtrans-70.8-44179.5-178.90000113.1T32 W36 F37 E38 F75 V149 P150T32-S34 PolarHBondContact O-N 3.01Å; T32-S34 PolarHBondContact OG1-N 3.11Å; S34-W36 VanDerWaalsContact C-N 3.27Å; S34-W36 PolarHBondContact O-N 3Å; S34-F37 WeakPolarHBondContact O-CB 3.35Å; S34-F37 PolarHBondContact O-N 2.85Å; S34-E38 PolarHBondContact O-N 3.41Å; S34-F75 WeakPolarHBondContact OG-CZ 3.31Å; S34-V149 WeakPolarHBondContact OG-CB 3.1Å; S34-P150 VanDerWaalsContact CA-O 3.26Å; S34-P150 WeakPolarHBondContact CA-O 3.42Å; S34-P150 WeakPolarHBondContact CB-O 3.44Å; S34-P150 PolarHBondContact OG-O 3.47Å
35Q97.9Very high91.8Very high57 Ų5764.8 Ų64.827%0.26632%0.316SS..Hα-helixtrans-61.5-41.1175.5-70.5166.9-17.200110.6L31 T32 E38 I39 Q141L31-Q35 HydrophobicContact CB-CB 4.35Å; L31-Q35 HydrophobicContact CD2-CB 4.14Å; T32-Q35 PolarHBondContact O-N 3.24Å; T32-Q35 VanDerWaalsContact OG1-CG 3.29Å; T32-Q35 WeakPolarHBondContact OG1-CG 3.43Å; T32-Q35 PolarHBondContact OG1-N 2.89Å; Q35-E38 PolarHBondContact O-N 3.4Å; Q35-I39 WeakPolarHBondContact O-CD1 3.32Å; Q35-I39 VanDerWaalsContact O-CG1 3.32Å; Q35-I39 WeakPolarHBondContact O-CG1 3.48Å; Q35-I39 PolarHBondContact O-N 3.2Å; Q35-Q141 PolarHBondContact NE2-O 2.95Å
36W97.6Very high92.7Very high20 Ų2062.7 Ų62.78%0.07632%0.316CS..Hα-helixtrans-69.9-34176.8-173.3-130.6000113.1I27 P28 L31 T32 S34 I39 Q40 V57 Y60 T61I27-W36 HydrophobicContact CG2-CB 3.99Å; I27-W36 HydrophobicContact CG2-CG 4.23Å; P28-W36 HydrophobicContact CG-CD2 4.12Å; P28-W36 HydrophobicContact CG-CE3 4.02Å; P28-W36 HydrophobicContact CG-CH2 4.3Å; P28-W36 HydrophobicContact CG-CZ2 4.37Å; P28-W36 HydrophobicContact CG-CZ3 4.11Å; L31-W36 HydrophobicContact CB-CB 4.37Å; L31-W36 HydrophobicContact CD1-CB 4.22Å; L31-W36 HydrophobicContact CD1-CD2 4.29Å; L31-W36 HydrophobicContact CD1-CE3 3.62Å; L31-W36 HydrophobicContact CD1-CZ3 4.4Å; T32-W36 PolarHBondContact O-N 2.81Å; S34-W36 VanDerWaalsContact C-N 3.27Å; S34-W36 PolarHBondContact O-N 3Å; W36-I39 HydrophobicContact CE3-CB 4.07Å; W36-I39 HydrophobicContact CE3-CD1 4.37Å; W36-I39 HydrophobicContact CE3-CG2 3.92Å; W36-I39 HydrophobicContact CZ3-CB 4.32Å; W36-I39 HydrophobicContact CZ3-CG2 3.64Å; W36-Q40 HydrophobicContact CD2-CG 3.83Å; W36-Q40 VanDerWaalsContact CE2-NE2 3.25Å; W36-Q40 HydrophobicContact CE3-CG 4.01Å; W36-Q40 HydrophobicContact CH2-CG 3.79Å; W36-Q40 HydrophobicContact CZ2-CG 3.61Å; W36-Q40 HydrophobicContact CZ3-CG 3.99Å; W36-Q40 VanDerWaalsContact NE1-CD 3.29Å; W36-Q40 WeakPolarHBondContact O-CB 3.17Å; W36-Q40 VanDerWaalsContact O-CG 3.27Å; W36-Q40 WeakPolarHBondContact O-CG 3Å; W36-Q40 PolarHBondContact O-N 2.81Å; W36-Q40 VanDerWaalsContact O-N 3.09Å; W36-Q40 PolarHBondContact O-NE2 2.74Å; W36-V57 HydrophobicContact CH2-CG1 3.93Å; W36-Y60 AromaticContact CZ3-CD2 3.88Å; W36-Y60 HydrophobicContact CZ3-CD2 3.88Å; W36-Y60 AromaticContact CZ3-CG 3.8Å; W36-Y60 HydrophobicContact CZ3-CG 3.8Å; W36-T61 HydrophobicContact CH2-CG2 4.13Å; W36-T61 HydrophobicContact CZ2-CG2 4.06Å
37F98Very high93.3Very high3 Ų362.9 Ų62.91%0.01332%0.32CS..Hα-helixtrans-59.8-49.5169.6175.1-81.6000110.7P33 S34 I39 Q40 H41 V42 F75 V78 I133 P150 L153P33-F37 WeakPolarHBondContact O-CB 3.16Å; P33-F37 PolarHBondContact O-N 3.28Å; S34-F37 WeakPolarHBondContact O-CB 3.35Å; S34-F37 PolarHBondContact O-N 2.85Å; F37-I39 PolarHBondContact O-N 2.02Å; F37-Q40 PolarHBondContact O-N 2.76Å; F37-H41 HydrophobicContact CD2-CB 4.49Å; F37-H41 AromaticContact CD2-CD2 3.86Å; F37-H41 HydrophobicContact CE1-CB 4.28Å; F37-H41 HydrophobicContact CE2-CB 4.2Å; F37-H41 HydrophobicContact CZ-CB 4.07Å; F37-H41 WeakPolarHBondContact O-CB 3.39Å; F37-H41 PolarHBondContact O-N 3.41Å; F37-V42 HydrophobicContact CD1-CG2 4.24Å; F37-V42 HydrophobicContact CE1-CG2 3.75Å; F37-F75 HydrophobicContact CD1-CE2 4.44Å; F37-V78 HydrophobicContact CE1-CG1 3.69Å; F37-V78 HydrophobicContact CZ-CG1 3.77Å; F37-I133 HydrophobicContact CE2-CG2 3.87Å; F37-I133 HydrophobicContact CZ-CG2 3.74Å; F37-P150 HydrophobicContact CD1-CB 3.71Å; F37-P150 HydrophobicContact CD1-CG 3.64Å; F37-P150 HydrophobicContact CD2-CB 4.26Å; F37-P150 HydrophobicContact CE1-CB 3.64Å; F37-P150 HydrophobicContact CE1-CG 3.73Å; F37-P150 HydrophobicContact CE2-CB 4.16Å; F37-P150 HydrophobicContact CG-CB 4.05Å; F37-P150 HydrophobicContact CG-CG 4.35Å; F37-P150 HydrophobicContact CZ-CB 3.87Å; F37-P150 HydrophobicContact CZ-CG 4.45Å; F37-L153 HydrophobicContact CE2-CB 3.99Å
38E98.1Very high93.7Very high81 Ų8160.1 Ų60.138%0.37931%0.306SS..Hα-helixtrans-58.7-51-179.6-173.6172.5-164.100111.3S34 Q35 Q40 H41 V42 F75S34-E38 PolarHBondContact O-N 3.41Å; Q35-E38 PolarHBondContact O-N 3.4Å; E38-Q40 VanDerWaalsContact C-N 3.27Å; E38-Q40 PolarHBondContact O-N 3.01Å; E38-H41 PolarHBondContact O-N 2.86Å; E38-V42 HydrophobicContact CG-CB 4.14Å; E38-V42 HydrophobicContact CG-CG2 4.48Å; E38-V42 WeakPolarHBondContact O-CB 2.98Å; E38-V42 PolarHBondContact O-N 2.86Å; E38-F75 HydrophobicContact CB-CD2 3.72Å; E38-F75 HydrophobicContact CB-CE2 3.84Å; E38-F75 HydrophobicContact CG-CB 4.39Å; E38-F75 HydrophobicContact CG-CD2 3.61Å; E38-F75 HydrophobicContact CG-CE2 4.22Å; E38-F75 HydrophobicContact CG-CG 4.2Å; E38-F75 WeakPolarHBondContact OE1-CB 3.41Å
39I97.3Very high94Very high49 Ų4964.6 Ų64.625%0.25133%0.325SS..Hα-helixtrans-57.3-40.3178.8-71.3160.7000112L31 Q35 W36 F37 Y60L31-I39 HydrophobicContact CD1-CD1 3.61Å; L31-I39 HydrophobicContact CD2-CD1 4.07Å; Q35-I39 WeakPolarHBondContact O-CD1 3.32Å; Q35-I39 VanDerWaalsContact O-CG1 3.32Å; Q35-I39 WeakPolarHBondContact O-CG1 3.48Å; Q35-I39 PolarHBondContact O-N 3.2Å; W36-I39 HydrophobicContact CE3-CB 4.07Å; W36-I39 HydrophobicContact CE3-CD1 4.37Å; W36-I39 HydrophobicContact CE3-CG2 3.92Å; W36-I39 HydrophobicContact CZ3-CB 4.32Å; W36-I39 HydrophobicContact CZ3-CG2 3.64Å; F37-I39 PolarHBondContact O-N 2.02Å; I39-Y60 HydrophobicContact CD1-CE1 4.26Å; I39-Y60 HydrophobicContact CD1-CE2 3.97Å; I39-Y60 HydrophobicContact CG2-CD2 4.06Å; I39-Y60 HydrophobicContact CG2-CE2 3.91Å
40Q97.1Very high94.7Very high21 Ų2152.6 Ų52.610%0.09828%0.28CS..Hα-helixtrans-83.6-34.1-176.6-71.4-175.6111.300113.7W36 F37 E38 V57 N68 F70W36-Q40 HydrophobicContact CD2-CG 3.83Å; W36-Q40 VanDerWaalsContact CE2-NE2 3.25Å; W36-Q40 HydrophobicContact CE3-CG 4.01Å; W36-Q40 HydrophobicContact CH2-CG 3.79Å; W36-Q40 HydrophobicContact CZ2-CG 3.61Å; W36-Q40 HydrophobicContact CZ3-CG 3.99Å; W36-Q40 VanDerWaalsContact NE1-CD 3.29Å; W36-Q40 WeakPolarHBondContact O-CB 3.17Å; W36-Q40 VanDerWaalsContact O-CG 3.27Å; W36-Q40 WeakPolarHBondContact O-CG 3Å; W36-Q40 PolarHBondContact O-N 2.81Å; W36-Q40 VanDerWaalsContact O-N 3.09Å; W36-Q40 PolarHBondContact O-NE2 2.74Å; F37-Q40 PolarHBondContact O-N 2.76Å; E38-Q40 VanDerWaalsContact C-N 3.27Å; E38-Q40 PolarHBondContact O-N 3.01Å; Q40-V57 HydrophobicContact CG-CG1 4.05Å; Q40-N68 PolarHBondContact O-ND2 3.28Å; Q40-N68 PolarHBondContact O-OD1 3.33Å; Q40-F70 WeakPolarHBondContact O-CD1 3.38Å; Q40-F70 VanDerWaalsContact O-CE1 3.3Å; Q40-F70 WeakPolarHBondContact O-CE1 3.44Å
41H98.1Very high95.1Very high20 Ų2046.5 Ų46.59%0.09325%0.248CC..Hα-helixtrans-125-8.2-160.6-63-53.2000114.3F37 E38 T69 L71F37-H41 HydrophobicContact CD2-CB 4.49Å; F37-H41 AromaticContact CD2-CD2 3.86Å; F37-H41 HydrophobicContact CE1-CB 4.28Å; F37-H41 HydrophobicContact CE2-CB 4.2Å; F37-H41 HydrophobicContact CZ-CB 4.07Å; F37-H41 WeakPolarHBondContact O-CB 3.39Å; F37-H41 PolarHBondContact O-N 3.41Å; E38-H41 PolarHBondContact O-N 2.86Å; H41-T69 WeakPolarHBondContact CA-O 3.4Å; H41-T69 PolarHBondContact ND1-O 3.26Å; H41-L71 WeakPolarHBondContact O-CB 3.48Å; H41-L71 PolarHBondContact O-N 3.49Å
42V98.1Very high95.2Very high21 Ų2148.5 Ų48.513%0.12726%0.264CS..BIsolated β-bridgetrans-113129.2-178.6-177.60000109.7F37 E38 T73 F75 V78F37-V42 HydrophobicContact CD1-CG2 4.24Å; F37-V42 HydrophobicContact CE1-CG2 3.75Å; E38-V42 HydrophobicContact CG-CB 4.14Å; E38-V42 HydrophobicContact CG-CG2 4.48Å; E38-V42 WeakPolarHBondContact O-CB 2.98Å; E38-V42 PolarHBondContact O-N 2.86Å; V42-T73 VanDerWaalsContact CG1-O 3.29Å; V42-T73 WeakPolarHBondContact CG1-O 3.26Å; V42-F75 HydrophobicContact CG1-CB 4.23Å; V42-F75 HydrophobicContact CG2-CD2 4.2Å; V42-V78 HydrophobicContact CG2-CG2 4.14Å
43N96.5Very high95.2Very high28 Ų2849.6 Ų49.615%0.1527%0.273CS..  trans-132115.6173.5166.749.3000108.7S45 L48 F70 L71 N72 T73N43-S45 PolarHBondContact ND2-O 3.18Å; N43-S45 PolarHBondContact O-N 2.92Å; N43-S45 VanDerWaalsContact O-N 3.17Å; N43-S45 PolarHBondContact OD1-N 3.46Å; N43-L48 HydrophobicContact CB-CD1 3.64Å; N43-L48 WeakPolarHBondContact ND2-CB 3.14Å; N43-L48 WeakPolarHBondContact ND2-CD1 3.44Å; N43-F70 HydrophobicContact CB-CB 4.08Å; N43-F70 HydrophobicContact CB-CD1 4.24Å; N43-F70 HydrophobicContact CB-CG 4.47Å; N43-L71 PolarHBondContact N-O 3.47Å; N43-N72 PolarHBondContact ND2-OD1 2.8Å; N43-N72 CarbonylContact O-C 3.49Å; N43-N72 VanDerWaalsContact O-CA 3.27Å; N43-N72 WeakPolarHBondContact O-CA 3.35Å; N43-T73 CarbonylContact C-O 3.55Å; N43-T73 PolarHBondContact O-N 3.01Å; N43-T73 VanDerWaalsContact O-O 3.13Å
44N92.6Very high95.2Very high136 Ų13647.9 Ų47.973%0.72726%0.262SS*.  trans-81.111.7-177.2-157.527.7000113.6
45S88Confident95.2Very high52 Ų5252.1 Ų52.136%0.36428%0.28SS..SBendtrans-108.4145.7176.2175.60000110.5N43 I47N43-S45 PolarHBondContact ND2-O 3.18Å; N43-S45 PolarHBondContact O-N 2.92Å; N43-S45 VanDerWaalsContact O-N 3.17Å; N43-S45 PolarHBondContact OD1-N 3.46Å; S45-I47 VanDerWaalsContact C-N 3.25Å; S45-I47 PolarHBondContact O-N 2.77Å; S45-I47 PolarHBondContact OG-N 3Å; S45-I47 PolarHBondContact OG-O 2.95Å
46T77.4Confident95.1Very high120 Ų12051.2 Ų51.274%0.73629%0.286SS*.SBendtrans-73.5-19.7173.150.70000112.9
47I84.7Confident95Very high127 Ų12750.4 Ų50.465%0.65128%0.283SS*.  trans-120.7124.6179.8-59.4171.7000108.7S45S45-I47 VanDerWaalsContact C-N 3.25Å; S45-I47 PolarHBondContact O-N 2.77Å; S45-I47 PolarHBondContact OG-N 3Å; S45-I47 PolarHBondContact OG-O 2.95Å
48L94Very high95Very high15 Ų1550.3 Ų50.38%0.07928%0.283CS..  trans-130.3134.1176.3-177.8139.6000110.4N43 A53 F70 T106 T124N43-L48 HydrophobicContact CB-CD1 3.64Å; N43-L48 WeakPolarHBondContact ND2-CB 3.14Å; N43-L48 WeakPolarHBondContact ND2-CD1 3.44Å; L48-A53 HydrophobicContact CD1-CB 3.81Å; L48-A53 HydrophobicContact CD2-CB 3.98Å; L48-A53 HydrophobicContact CG-CB 3.87Å; L48-F70 HydrophobicContact CD1-CB 3.8Å; L48-F70 HydrophobicContact CD1-CD1 3.98Å; L48-F70 HydrophobicContact CD1-CD2 3.65Å; L48-F70 HydrophobicContact CD1-CE1 4.46Å; L48-F70 HydrophobicContact CD1-CE2 4.16Å; L48-F70 HydrophobicContact CD1-CG 3.54Å; L48-F70 HydrophobicContact CD2-CD2 3.65Å; L48-F70 HydrophobicContact CD2-CE2 4.15Å; L48-F70 HydrophobicContact CD2-CG 4.31Å; L48-F70 HydrophobicContact CG-CD2 4.33Å; L48-T106 HydrophobicContact CD2-CG2 3.64Å; L48-T124 VanDerWaalsContact O-CG2 3.26Å; L48-T124 WeakPolarHBondContact O-CG2 3.22Å
49Q97.1Very high94.9Very high116 Ų11650.8 Ų50.854%0.54229%0.288SS..  trans-105.3123.4168.7-66.9-63.7-30.700108.5T51 P52 A53Q49-T51 PolarHBondContact O-N 3.17Å; Q49-P52 HydrophobicContact CB-CG 3.69Å; Q49-P52 VanDerWaalsContact O-CD 3.23Å; Q49-P52 WeakPolarHBondContact O-CD 3.33Å; Q49-P52 VanDerWaalsContact O-CG 3.32Å; Q49-P52 WeakPolarHBondContact O-CG 3.45Å; Q49-A53 VanDerWaalsContact O-CB 3.3Å; Q49-A53 WeakPolarHBondContact O-CB 3.47Å; Q49-A53 PolarHBondContact O-N 2.9Å; Q49-A53 VanDerWaalsContact O-N 3.15Å
50C98.3Very high94.7Very high0 Ų053.7 Ų53.70%030%0.297CS..Hα-helixtrans-66.1-39.7-171.4-73.40000113.5A53 M54 Y107 C108 Y122 Q123 T124C50-A53 PolarHBondContact O-N 3.01Å; C50-M54 WeakPolarHBondContact O-CB 3.08Å; C50-M54 VanDerWaalsContact O-CG 3.22Å; C50-M54 WeakPolarHBondContact O-CG 3.26Å; C50-M54 PolarHBondContact O-N 2.92Å; C50-Y107 PolarHBondContact SG-O 2.96Å; C50-Y107 VanDerWaalsContact SG-O 3.42Å; C50-C108 VanDerWaalsContact CA-SG 3.59Å; C50-C108 HydrophobicContact CB-CB 3.55Å; C50-C108 WeakPolarHBondContact CB-SG 3.29Å; C50-C108 WeakPolarHBondContact SG-CA 3.42Å; C50-C108 WeakPolarHBondContact SG-CB 3.18Å; C50-C108 CovalentContact SG-SG 2.03Å; C50-C108 PolarHBondContact SG-SG 3.25Å; C50-Y122 HydrophobicContact CB-CG 4.38Å; C50-Q123 PolarHBondContact SG-O 3.44Å; C50-T124 WeakPolarHBondContact CB-OG1 3.44Å; C50-T124 PolarHBondContact N-OG1 3.21Å
51T98.2Very high94.5Very high27 Ų2755.6 Ų55.617%0.16631%0.31CS..Hα-helixtrans-57.6-50.9-177.9-67.50000112.7Q49 Y122Q49-T51 PolarHBondContact O-N 3.17Å; T51-Y122 PolarHBondContact OG1-N 3.01Å; T51-Y122 VanDerWaalsContact OG1-N 3.11Å; T51-Y122 PolarHBondContact OG1-O 3.41Å
52P97.4Very high94.2Very high78 Ų7856.4 Ų56.451%0.50632%0.323SS..Hα-helixtrans-70.4-41.9174.125.2-32.8000113.2Q49 M54 K55Q49-P52 HydrophobicContact CB-CG 3.69Å; Q49-P52 VanDerWaalsContact O-CD 3.23Å; Q49-P52 WeakPolarHBondContact O-CD 3.33Å; Q49-P52 VanDerWaalsContact O-CG 3.32Å; Q49-P52 WeakPolarHBondContact O-CG 3.45Å; P52-M54 VanDerWaalsContact C-N 3.34Å; P52-M54 PolarHBondContact O-N 3.31Å; P52-K55 WeakPolarHBondContact O-CB 3.34Å; P52-K55 PolarHBondContact O-N 2.04Å; P52-K55 VanDerWaalsContact O-N 3.12Å
53A97.7Very high94Very high30 Ų3062.3 Ų62.325%0.24834%0.343CS..Hα-helixtrans-61-42.6-177.700000112.5L48 Q49 C50 K55 G56 F70L48-A53 HydrophobicContact CD1-CB 3.81Å; L48-A53 HydrophobicContact CD2-CB 3.98Å; L48-A53 HydrophobicContact CG-CB 3.87Å; Q49-A53 VanDerWaalsContact O-CB 3.3Å; Q49-A53 WeakPolarHBondContact O-CB 3.47Å; Q49-A53 PolarHBondContact O-N 2.9Å; Q49-A53 VanDerWaalsContact O-N 3.15Å; C50-A53 PolarHBondContact O-N 3.01Å; A53-K55 PolarHBondContact O-N 3.36Å; A53-G56 PolarHBondContact O-N 2.93Å; A53-G56 VanDerWaalsContact O-N 3.08Å; A53-F70 HydrophobicContact CB-CE2 3.92Å; A53-F70 HydrophobicContact CB-CZ 3.97Å
54M98.1Very high94Very high0 Ų061.5 Ų61.50%034%0.34CS..Hα-helixtrans-67-18.2178.9-71.6-56.9-5900113.4C50 P52 G56 V57 N58 K65 N68 F70 C108 Y122C50-M54 WeakPolarHBondContact O-CB 3.08Å; C50-M54 VanDerWaalsContact O-CG 3.22Å; C50-M54 WeakPolarHBondContact O-CG 3.26Å; C50-M54 PolarHBondContact O-N 2.92Å; P52-M54 VanDerWaalsContact C-N 3.34Å; P52-M54 PolarHBondContact O-N 3.31Å; M54-G56 VanDerWaalsContact C-N 3.26Å; M54-G56 PolarHBondContact O-N 3.17Å; M54-V57 HydrophobicContact CE-CB 4.05Å; M54-V57 HydrophobicContact CE-CG1 4.02Å; M54-V57 PolarHBondContact O-N 3.31Å; M54-V57 HydrophobicContact SD-CB 4.37Å; M54-V57 HydrophobicContact SD-CG2 4.31Å; M54-N58 WeakPolarHBondContact O-CB 3.17Å; M54-N58 PolarHBondContact O-N 3.15Å; M54-N58 PolarHBondContact O-ND2 3.42Å; M54-K65 HydrophobicContact CE-CB 3.7Å; M54-K65 HydrophobicContact CE-CD 4.24Å; M54-K65 HydrophobicContact CE-CG 4.38Å; M54-N68 HydrophobicContact CE-CB 3.75Å; M54-N68 HydrophobicContact SD-CB 3.42Å; M54-N68 WeakPolarHBondContact SD-CB 3.42Å; M54-F70 HydrophobicContact CG-CE2 4.42Å; M54-F70 HydrophobicContact SD-CE2 3.72Å; M54-F70 HydrophobicContact SD-CZ 3.97Å; M54-C108 HydrophobicContact CG-CB 4.02Å; M54-C108 HydrophobicContact SD-CB 4.15Å; M54-Y122 HydrophobicContact CB-CD2 3.68Å; M54-Y122 HydrophobicContact CB-CE1 4.33Å; M54-Y122 HydrophobicContact CB-CE2 3.39Å; M54-Y122 HydrophobicContact CB-CG 4.27Å; M54-Y122 HydrophobicContact CE-CE1 4.06Å; M54-Y122 HydrophobicContact CG-CD1 3.91Å; M54-Y122 HydrophobicContact CG-CD2 3.86Å; M54-Y122 HydrophobicContact CG-CE1 3.88Å; M54-Y122 HydrophobicContact CG-CE2 3.82Å; M54-Y122 HydrophobicContact CG-CG 3.91Å
55K97.4Very high94.1Very high93 Ų9357.7 Ų57.740%0.40432%0.317SS..Hα-helixtrans-62.6-37.5171.1-65.9179.9-177.5-171.90111.4P52 A53 N59 T118P52-K55 WeakPolarHBondContact O-CB 3.34Å; P52-K55 PolarHBondContact O-N 2.04Å; P52-K55 VanDerWaalsContact O-N 3.12Å; A53-K55 PolarHBondContact O-N 3.36Å; K55-N59 VanDerWaalsContact O-CB 3.24Å; K55-N59 WeakPolarHBondContact O-CB 3.44Å; K55-N59 PolarHBondContact O-N 3.37Å; K55-T118 VanDerWaalsContact CE-O 3.27Å; K55-T118 WeakPolarHBondContact CE-O 3.5Å
56G95.8Very high94.5Very high39 Ų3960.4 Ų60.440%0.40233%0.327SS..Hα-helixtrans-60.9-50.2175.200000111.4A53 M54 Y60A53-G56 PolarHBondContact O-N 2.93Å; A53-G56 VanDerWaalsContact O-N 3.08Å; M54-G56 VanDerWaalsContact C-N 3.26Å; M54-G56 PolarHBondContact O-N 3.17Å; G56-Y60 WeakPolarHBondContact O-CD2 3.5Å
57V96.3Very high95.4Very high2 Ų259.8 Ų59.81%0.01232%0.318CS..Hα-helixtrans-63-50.8177.5176.70000111.6W36 Q40 M54 N59 Y60 K65 F70W36-V57 HydrophobicContact CH2-CG1 3.93Å; Q40-V57 HydrophobicContact CG-CG1 4.05Å; M54-V57 HydrophobicContact CE-CB 4.05Å; M54-V57 HydrophobicContact CE-CG1 4.02Å; M54-V57 PolarHBondContact O-N 3.31Å; M54-V57 HydrophobicContact SD-CB 4.37Å; M54-V57 HydrophobicContact SD-CG2 4.31Å; V57-N59 VanDerWaalsContact C-N 3.28Å; V57-N59 PolarHBondContact O-N 3.14Å; V57-Y60 PolarHBondContact O-N 2.9Å; V57-K65 HydrophobicContact CG1-CD 4.12Å; V57-F70 HydrophobicContact CG2-CE1 4.25Å; V57-F70 HydrophobicContact CG2-CZ 3.87Å
58N96.3Very high96.1Very high1 Ų153.9 Ų53.91%0.00529%0.288CS..Hα-helixtrans-68.2-26-174.6-67.6-14.1000112.8M54 Y60 T61 G62 R63 K65 Y117 Y122M54-N58 WeakPolarHBondContact O-CB 3.17Å; M54-N58 PolarHBondContact O-N 3.15Å; M54-N58 PolarHBondContact O-ND2 3.42Å; N58-Y60 PolarHBondContact O-N 3.47Å; N58-T61 PolarHBondContact O-N 2.97Å; N58-T61 PolarHBondContact O-OG1 3.15Å; N58-G62 WeakPolarHBondContact O-CA 3.49Å; N58-G62 PolarHBondContact O-N 3.32Å; N58-R63 WeakPolarHBondContact CB-O 3.25Å; N58-R63 PolarHBondContact O-N 3.37Å; N58-R63 PolarHBondContact OD1-O 2.86Å; N58-R63 VanDerWaalsContact OD1-O 3.13Å; N58-K65 WeakPolarHBondContact OD1-CB 3.27Å; N58-K65 PolarHBondContact OD1-N 2.98Å; N58-Y117 HydrophobicContact CB-CD2 3.74Å; N58-Y117 HydrophobicContact CB-CG 4.22Å; N58-Y122 PolarHBondContact ND2-OH 3.33Å; N58-Y122 PolarHBondContact OD1-OH 2.82Å
59N96.1Very high96.3Very high92 Ų9253.9 Ų53.949%0.49229%0.289SS..Hα-helixtrans-58.9-36.4175.5-179.537.3000112K55 V57 T61 Y117K55-N59 VanDerWaalsContact O-CB 3.24Å; K55-N59 WeakPolarHBondContact O-CB 3.44Å; K55-N59 PolarHBondContact O-N 3.37Å; V57-N59 VanDerWaalsContact C-N 3.28Å; V57-N59 PolarHBondContact O-N 3.14Å; N59-T61 VanDerWaalsContact C-N 3.31Å; N59-T61 PolarHBondContact O-N 3.42Å; N59-Y117 HydrophobicContact CB-CE2 3.78Å; N59-Y117 PolarHBondContact OD1-OH 3.49Å
60Y94.5Very high96.3Very high110 Ų11048.8 Ų48.843%0.43127%0.265SS..Hα-helixtrans-71.1-24.3-180-75.8-86.8000114P28 L31 W36 I39 G56 V57 N58P28-Y60 HydrophobicContact CB-CD1 4.24Å; P28-Y60 HydrophobicContact CG-CD1 4.22Å; P28-Y60 HydrophobicContact CG-CG 4.33Å; L31-Y60 HydrophobicContact CD1-CD1 3.74Å; L31-Y60 HydrophobicContact CD1-CE1 3.75Å; L31-Y60 HydrophobicContact CD1-CG 4.43Å; L31-Y60 HydrophobicContact CD2-CE1 4.26Å; L31-Y60 HydrophobicContact CG-CD1 4.49Å; L31-Y60 HydrophobicContact CG-CE1 4.29Å; W36-Y60 AromaticContact CZ3-CD2 3.88Å; W36-Y60 HydrophobicContact CZ3-CD2 3.88Å; W36-Y60 AromaticContact CZ3-CG 3.8Å; W36-Y60 HydrophobicContact CZ3-CG 3.8Å; I39-Y60 HydrophobicContact CD1-CE1 4.26Å; I39-Y60 HydrophobicContact CD1-CE2 3.97Å; I39-Y60 HydrophobicContact CG2-CD2 4.06Å; I39-Y60 HydrophobicContact CG2-CE2 3.91Å; G56-Y60 WeakPolarHBondContact O-CD2 3.5Å; V57-Y60 PolarHBondContact O-N 2.9Å; N58-Y60 PolarHBondContact O-N 3.47Å
61T91.4Very high96.3Very high61 Ų6148.8 Ų48.837%0.37427%0.265SS..Hα-helixtrans-109.6-12.9-178.364.40000113W36 N58 N59 R63W36-T61 HydrophobicContact CH2-CG2 4.13Å; W36-T61 HydrophobicContact CZ2-CG2 4.06Å; N58-T61 PolarHBondContact O-N 2.97Å; N58-T61 PolarHBondContact O-OG1 3.15Å; N59-T61 VanDerWaalsContact C-N 3.31Å; N59-T61 PolarHBondContact O-N 3.42Å; T61-R63 PolarHBondContact O-N 2.94Å; T61-R63 PolarHBondContact OG1-N 2.88Å; T61-R63 PolarHBondContact OG1-O 2.83Å
62G93.4Very high96.3Very high36 Ų3648.4 Ų48.437%0.37126%0.262SS..THydrogen-bonded Turntrans66.116.3-173.300000114.1N58N58-G62 WeakPolarHBondContact O-CA 3.49Å; N58-G62 PolarHBondContact O-N 3.32Å
63R93.4Very high96.2Very high145 Ų14546.1 Ų46.155%0.54725%0.246SC..SBendtrans-138.6150.7-171.4-64.5178.2-177.4-178.20.4111.8N58 T61 K65N58-R63 WeakPolarHBondContact CB-O 3.25Å; N58-R63 PolarHBondContact O-N 3.37Å; N58-R63 PolarHBondContact OD1-O 2.86Å; N58-R63 VanDerWaalsContact OD1-O 3.13Å; T61-R63 PolarHBondContact O-N 2.94Å; T61-R63 PolarHBondContact OG1-N 2.88Å; T61-R63 PolarHBondContact OG1-O 2.83Å; R63-K65 PolarHBondContact O-N 3.4Å
64C95.9Very high96.2Very high11 Ų1146.7 Ų46.77%0.07425%0.249CC..  trans-66.5113.5168-54.90000110L110 S114 C120C64-L110 HydrophobicContact CB-CD1 3.84Å; C64-L110 HydrophobicContact CB-CD2 3.86Å; C64-S114 PolarHBondContact SG-N 3.08Å; C64-S114 VanDerWaalsContact SG-N 3.43Å; C64-S114 PolarHBondContact SG-O 3.34Å; C64-C120 WeakPolarHBondContact CA-SG 3.47Å; C64-C120 HydrophobicContact CB-CB 3.99Å; C64-C120 WeakPolarHBondContact CB-SG 3.27Å; C64-C120 WeakPolarHBondContact SG-CB 3.26Å; C64-C120 CovalentContact SG-SG 2.02Å; C64-C120 PolarHBondContact SG-SG 3.47Å
65K95.4Very high96.2Very high57 Ų5748 Ų4825%0.24825%0.254CS..  trans-72133.9167.8-172177.2-177.3-173.70109.7M54 V57 N58 R63 I67 N68 Y122M54-K65 HydrophobicContact CE-CB 3.7Å; M54-K65 HydrophobicContact CE-CD 4.24Å; M54-K65 HydrophobicContact CE-CG 4.38Å; V57-K65 HydrophobicContact CG1-CD 4.12Å; N58-K65 WeakPolarHBondContact OD1-CB 3.27Å; N58-K65 PolarHBondContact OD1-N 2.98Å; R63-K65 PolarHBondContact O-N 3.4Å; K65-I67 VanDerWaalsContact CE-O 3.25Å; K65-I67 WeakPolarHBondContact CE-O 3.03Å; K65-N68 HydrophobicContact CD-CB 4.35Å; K65-N68 PolarHBondContact NZ-OD1 2.92Å; K65-Y122 PolarHBondContact N-OH 3.04Å; K65-Y122 WeakPolarHBondContact O-CE1 3.48Å; K65-Y122 VanDerWaalsContact O-CZ 3.28Å; K65-Y122 PolarHBondContact O-OH 2.82Å
66N96.3Very high96.2Very high108 Ų10845.6 Ų45.658%0.57825%0.252SS*.SBendtrans-68.3-47-174-70.8-19.5000113.5L110N66-L110 VanDerWaalsContact O-CB 3.32Å; N66-L110 WeakPolarHBondContact O-CB 3.29Å; N66-L110 PolarHBondContact O-N 3.14Å
67I96.6Very high96.3Very high107 Ų10745.2 Ų45.255%0.54925%0.245SC..EExtended strand (participates in β ladder)trans-134.8138.9-177.6-59.4174.4000108.3K65 C108K65-I67 VanDerWaalsContact CE-O 3.25Å; K65-I67 WeakPolarHBondContact CE-O 3.03Å; I67-C108 CarbonylContact C-O 3.47Å; I67-C108 WeakPolarHBondContact CA-O 3.32Å
68N97.8Very high96.4Very high3 Ų345.1 Ų45.12%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-143152.2170-16465.2000110.7Q40 M54 K65 F70 C108Q40-N68 PolarHBondContact O-ND2 3.28Å; Q40-N68 PolarHBondContact O-OD1 3.33Å; M54-N68 HydrophobicContact CE-CB 3.75Å; M54-N68 HydrophobicContact SD-CB 3.42Å; M54-N68 WeakPolarHBondContact SD-CB 3.42Å; K65-N68 HydrophobicContact CD-CB 4.35Å; K65-N68 PolarHBondContact NZ-OD1 2.92Å; N68-F70 WeakPolarHBondContact ND2-CE2 3.42Å; N68-F70 VanDerWaalsContact ND2-CZ 3.33Å; N68-F70 WeakPolarHBondContact ND2-CZ 3.29Å; N68-C108 HydrophobicContact CB-CB 4.27Å; N68-C108 PolarHBondContact N-O 3.07Å; N68-C108 PolarHBondContact O-N 3.21Å
69T98.3Very high96.5Very high16 Ų1646 Ų4610%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-123.6125.1172.7-580000108.2H41 L105 T106 Y107 L153 I156H41-T69 WeakPolarHBondContact CA-O 3.4Å; H41-T69 PolarHBondContact ND1-O 3.26Å; T69-L105 HydrophobicContact CG2-CB 4.34Å; T69-L105 HydrophobicContact CG2-CD1 4.03Å; T69-L105 HydrophobicContact CG2-CD2 4.16Å; T69-L105 HydrophobicContact CG2-CG 4.44Å; T69-T106 WeakPolarHBondContact CA-O 3.35Å; T69-Y107 HydrophobicContact CG2-CD1 4.21Å; T69-Y107 HydrophobicContact CG2-CE1 4.21Å; T69-Y107 WeakPolarHBondContact OG1-CD1 3.27Å; T69-L153 HydrophobicContact CG2-CD2 4.29Å; T69-I156 HydrophobicContact CG2-CD1 4.23Å; T69-I156 HydrophobicContact CG2-CG1 4.33Å
70F98.6Very high96.6Very high8 Ų845.3 Ų45.34%0.03525%0.252CS..EExtended strand (participates in β ladder)trans-101122.1169.3-68.6-80000109.3Q40 N43 L48 A53 M54 V57 N68 L105 T106 C108Q40-F70 WeakPolarHBondContact O-CD1 3.38Å; Q40-F70 VanDerWaalsContact O-CE1 3.3Å; Q40-F70 WeakPolarHBondContact O-CE1 3.44Å; N43-F70 HydrophobicContact CB-CB 4.08Å; N43-F70 HydrophobicContact CB-CD1 4.24Å; N43-F70 HydrophobicContact CB-CG 4.47Å; L48-F70 HydrophobicContact CD1-CB 3.8Å; L48-F70 HydrophobicContact CD1-CD1 3.98Å; L48-F70 HydrophobicContact CD1-CD2 3.65Å; L48-F70 HydrophobicContact CD1-CE1 4.46Å; L48-F70 HydrophobicContact CD1-CE2 4.16Å; L48-F70 HydrophobicContact CD1-CG 3.54Å; L48-F70 HydrophobicContact CD2-CD2 3.65Å; L48-F70 HydrophobicContact CD2-CE2 4.15Å; L48-F70 HydrophobicContact CD2-CG 4.31Å; L48-F70 HydrophobicContact CG-CD2 4.33Å; A53-F70 HydrophobicContact CB-CE2 3.92Å; A53-F70 HydrophobicContact CB-CZ 3.97Å; M54-F70 HydrophobicContact CG-CE2 4.42Å; M54-F70 HydrophobicContact SD-CE2 3.72Å; M54-F70 HydrophobicContact SD-CZ 3.97Å; V57-F70 HydrophobicContact CG2-CE1 4.25Å; V57-F70 HydrophobicContact CG2-CZ 3.87Å; N68-F70 WeakPolarHBondContact ND2-CE2 3.42Å; N68-F70 VanDerWaalsContact ND2-CZ 3.33Å; N68-F70 WeakPolarHBondContact ND2-CZ 3.29Å; F70-L105 CarbonylContact O-C 3.6Å; F70-L105 WeakPolarHBondContact O-CA 3.32Å; F70-L105 VanDerWaalsContact O-CB 3.26Å; F70-L105 WeakPolarHBondContact O-CB 3.3Å; F70-T106 PolarHBondContact N-O 2.99Å; F70-T106 PolarHBondContact O-N 3.47Å; F70-C108 VanDerWaalsContact CD2-SG 3.58Å
71L98.4Very high96.8Very high0 Ų040.5 Ų40.50%023%0.234CC..EExtended strand (participates in β ladder)trans-76.6118.5165.6-53.2176.1000107.2H41 N43 T73 V78 V103 L105 Y131 L153 I156H41-L71 WeakPolarHBondContact O-CB 3.48Å; H41-L71 PolarHBondContact O-N 3.49Å; N43-L71 PolarHBondContact N-O 3.47Å; L71-T73 HydrophobicContact CB-CG2 3.9Å; L71-T73 PolarHBondContact O-N 3.33Å; L71-V78 HydrophobicContact CD1-CG2 4.13Å; L71-V103 HydrophobicContact CD2-CG2 4.15Å; L71-L105 HydrophobicContact CD2-CB 4.2Å; L71-L105 HydrophobicContact CD2-CD2 4.13Å; L71-Y131 HydrophobicContact CD1-CD2 3.75Å; L71-Y131 HydrophobicContact CD1-CE2 3.75Å; L71-Y131 HydrophobicContact CD1-CG 4.16Å; L71-Y131 HydrophobicContact CD2-CD1 4.24Å; L71-Y131 HydrophobicContact CD2-CD2 4.46Å; L71-Y131 HydrophobicContact CD2-CG 4.05Å; L71-L153 HydrophobicContact CD1-CD1 4.38Å; L71-I156 HydrophobicContact CD2-CD1 4.23Å
72N97.1Very high97.2Very high20 Ų2038.2 Ų38.211%0.10722%0.221CC..SBendtrans-82.767.9-179.9-58.9-29.4000109.1N43 S104 T106N43-N72 PolarHBondContact ND2-OD1 2.8Å; N43-N72 CarbonylContact O-C 3.49Å; N43-N72 VanDerWaalsContact O-CA 3.27Å; N43-N72 WeakPolarHBondContact O-CA 3.35Å; N72-S104 WeakPolarHBondContact CB-O 3.23Å; N72-S104 PolarHBondContact N-O 3.26Å; N72-S104 PolarHBondContact ND2-OG 3.33Å; N72-S104 VanDerWaalsContact ND2-OG 3.07Å; N72-T106 PolarHBondContact ND2-OG1 2.9Å; N72-T106 PolarHBondContact OD1-OG1 3Å
73T96Very high97.4Very high29 Ų2939.9 Ų39.918%0.17824%0.238CC..SBendtrans-151.4172.5-175.5-167.60000110.3V42 N43 L71 A77 V78V42-T73 VanDerWaalsContact CG1-O 3.29Å; V42-T73 WeakPolarHBondContact CG1-O 3.26Å; N43-T73 CarbonylContact C-O 3.55Å; N43-T73 PolarHBondContact O-N 3.01Å; N43-T73 VanDerWaalsContact O-O 3.13Å; L71-T73 HydrophobicContact CB-CG2 3.9Å; L71-T73 PolarHBondContact O-N 3.33Å; T73-A77 WeakPolarHBondContact OG1-CB 3.46Å; T73-V78 HydrophobicContact CG2-CG2 3.56Å
74S97.1Very high97.6Very high43 Ų4335.2 Ų35.230%0.30122%0.224SC..  trans-81.5152.5177.573.90000111.8A76 A77 V78S74-A76 VanDerWaalsContact C-N 3.25Å; S74-A76 PolarHBondContact O-N 3.43Å; S74-A77 WeakPolarHBondContact O-CB 3.4Å; S74-A77 PolarHBondContact O-N 2.77Å; S74-A77 VanDerWaalsContact O-N 3.12Å; S74-A77 WeakPolarHBondContact OG-CB 3.44Å; S74-A77 PolarHBondContact OG-N 3.36Å; S74-A77 VanDerWaalsContact OG-N 3.14Å; S74-V78 PolarHBondContact O-N 3.04Å; S74-V78 VanDerWaalsContact O-N 3.17Å
75F97.9Very high97.7Very high26 Ų2643.8 Ų43.811%0.11426%0.26CS..Hα-helixtrans-58.3-39.7174.9-176.6-101.2000111.8S34 F37 E38 V42 A77 V78 V79 Y146 P150S34-F75 WeakPolarHBondContact OG-CZ 3.31Å; F37-F75 HydrophobicContact CD1-CE2 4.44Å; E38-F75 HydrophobicContact CB-CD2 3.72Å; E38-F75 HydrophobicContact CB-CE2 3.84Å; E38-F75 HydrophobicContact CG-CB 4.39Å; E38-F75 HydrophobicContact CG-CD2 3.61Å; E38-F75 HydrophobicContact CG-CE2 4.22Å; E38-F75 HydrophobicContact CG-CG 4.2Å; E38-F75 WeakPolarHBondContact OE1-CB 3.41Å; V42-F75 HydrophobicContact CG1-CB 4.23Å; V42-F75 HydrophobicContact CG2-CD2 4.2Å; F75-A77 VanDerWaalsContact C-N 3.32Å; F75-A77 PolarHBondContact O-N 3.26Å; F75-V78 PolarHBondContact O-N 3.15Å; F75-V78 VanDerWaalsContact O-N 3.09Å; F75-V79 HydrophobicContact CD1-CG2 3.77Å; F75-V79 HydrophobicContact CE1-CG2 3.37Å; F75-V79 HydrophobicContact CE2-CG2 4.5Å; F75-V79 HydrophobicContact CG-CG2 4.48Å; F75-V79 HydrophobicContact CZ-CG2 3.77Å; F75-V79 WeakPolarHBondContact O-CG2 3.26Å; F75-V79 PolarHBondContact O-N 3.3Å; F75-Y146 HydrophobicContact CD1-CD2 4.38Å; F75-Y146 HydrophobicContact CD1-CE2 4Å; F75-Y146 AromaticContact CE1-CD2 3.9Å; F75-Y146 HydrophobicContact CE1-CD2 3.9Å; F75-Y146 AromaticContact CE1-CE2 4Å; F75-Y146 HydrophobicContact CE1-CE2 4Å; F75-P150 HydrophobicContact CD2-CG 4.47Å; F75-P150 HydrophobicContact CE2-CG 3.62Å; F75-P150 HydrophobicContact CZ-CG 3.91Å
76A98.1Very high97.9Very high44 Ų4445.8 Ų45.836%0.36427%0.273SS..Hα-helixtrans-60.3-39.117600000112.7S74 V78 V79 S80S74-A76 VanDerWaalsContact C-N 3.25Å; S74-A76 PolarHBondContact O-N 3.43Å; A76-V78 VanDerWaalsContact C-N 3.33Å; A76-V79 PolarHBondContact O-N 3.49Å; A76-S80 PolarHBondContact O-N 2.85Å
77A97.9Very high97.9Very high31 Ų3142.5 Ų42.526%0.25626%0.257SS..Hα-helixtrans-65.3-37.6174.900000111.5T73 S74 F75 S80T73-A77 WeakPolarHBondContact OG1-CB 3.46Å; S74-A77 WeakPolarHBondContact O-CB 3.4Å; S74-A77 PolarHBondContact O-N 2.77Å; S74-A77 VanDerWaalsContact O-N 3.12Å; S74-A77 WeakPolarHBondContact OG-CB 3.44Å; S74-A77 PolarHBondContact OG-N 3.36Å; S74-A77 VanDerWaalsContact OG-N 3.14Å; F75-A77 VanDerWaalsContact C-N 3.32Å; F75-A77 PolarHBondContact O-N 3.26Å; A77-S80 PolarHBondContact O-N 3.3Å; A77-S80 PolarHBondContact O-OG 3.41Å
78V98.3Very high98Very high0 Ų041.2 Ų41.20%025%0.254CS..Hα-helixtrans-68.6-42.8174.2-174.40000111.6F37 V42 L71 T73 S74 F75 A76 S80 V81 Y131 I133 P150F37-V78 HydrophobicContact CE1-CG1 3.69Å; F37-V78 HydrophobicContact CZ-CG1 3.77Å; V42-V78 HydrophobicContact CG2-CG2 4.14Å; L71-V78 HydrophobicContact CD1-CG2 4.13Å; T73-V78 HydrophobicContact CG2-CG2 3.56Å; S74-V78 PolarHBondContact O-N 3.04Å; S74-V78 VanDerWaalsContact O-N 3.17Å; F75-V78 PolarHBondContact O-N 3.15Å; F75-V78 VanDerWaalsContact O-N 3.09Å; A76-V78 VanDerWaalsContact C-N 3.33Å; V78-S80 PolarHBondContact O-N 2.93Å; V78-V81 WeakPolarHBondContact O-CB 3.45Å; V78-V81 PolarHBondContact O-N 2.03Å; V78-Y131 HydrophobicContact CG1-CE2 4.28Å; V78-I133 HydrophobicContact CG1-CD1 3.79Å; V78-I133 HydrophobicContact CG1-CG2 4.16Å; V78-I133 WeakPolarHBondContact O-CD1 3.39Å; V78-P150 HydrophobicContact CG1-CB 3.98Å; V78-P150 HydrophobicContact CG1-CG 4.02Å
79V98.6Very high98Very high19 Ų1941.4 Ų41.412%0.11526%0.256CS..Hα-helixtrans-56.6-39.4174170.10000111.1F75 A76 V81 C82 Y146 P150F75-V79 HydrophobicContact CD1-CG2 3.77Å; F75-V79 HydrophobicContact CE1-CG2 3.37Å; F75-V79 HydrophobicContact CE2-CG2 4.5Å; F75-V79 HydrophobicContact CG-CG2 4.48Å; F75-V79 HydrophobicContact CZ-CG2 3.77Å; F75-V79 WeakPolarHBondContact O-CG2 3.26Å; F75-V79 PolarHBondContact O-N 3.3Å; A76-V79 PolarHBondContact O-N 3.49Å; V79-V81 PolarHBondContact O-N 3.43Å; V79-V81 VanDerWaalsContact O-N 3.15Å; V79-C82 VanDerWaalsContact O-CB 3.22Å; V79-C82 WeakPolarHBondContact O-CB 3.3Å; V79-C82 PolarHBondContact O-N 3.34Å; V79-Y146 HydrophobicContact CB-CD1 4.49Å; V79-Y146 HydrophobicContact CG1-CD1 3.72Å; V79-Y146 HydrophobicContact CG1-CE1 4.31Å; V79-Y146 HydrophobicContact CG1-CG 3.98Å; V79-Y146 HydrophobicContact CG2-CD2 4.24Å; V79-Y146 HydrophobicContact CG2-CG 4.21Å; V79-P150 HydrophobicContact CG2-CG 4.41Å
80S98.4Very high97.9Very high78 Ų7849.8 Ų49.855%0.54529%0.286SS..Hα-helixtrans-58.2-29.7177.681.40000113A76 A77 V78 C82 G83A76-S80 PolarHBondContact O-N 2.85Å; A77-S80 PolarHBondContact O-N 3.3Å; A77-S80 PolarHBondContact O-OG 3.41Å; V78-S80 PolarHBondContact O-N 2.93Å; S80-C82 VanDerWaalsContact C-N 3.26Å; S80-C82 PolarHBondContact O-N 2.81Å; S80-G83 PolarHBondContact O-N 2.98Å; S80-G83 VanDerWaalsContact O-N 3.09Å
81V98.7Very high97.7Very high8 Ų854.4 Ų54.45%0.04831%0.311CS..Hα-helixtrans-68.3-25.91771760000111.7V78 V79 G83 N84 H97 Y131 I133V78-V81 WeakPolarHBondContact O-CB 3.45Å; V78-V81 PolarHBondContact O-N 2.03Å; V79-V81 PolarHBondContact O-N 3.43Å; V79-V81 VanDerWaalsContact O-N 3.15Å; V81-G83 PolarHBondContact O-N 2.84Å; V81-G83 VanDerWaalsContact O-N 3.14Å; V81-N84 VanDerWaalsContact O-CB 3.27Å; V81-N84 WeakPolarHBondContact O-CB 3.43Å; V81-N84 PolarHBondContact O-N 2.71Å; V81-H97 HydrophobicContact CG1-CB 3.99Å; V81-H97 WeakPolarHBondContact O-CB 3.25Å; V81-Y131 HydrophobicContact CG2-CE2 4.3Å; V81-Y131 VanDerWaalsContact CG2-OH 3.29Å; V81-Y131 WeakPolarHBondContact CG2-OH 3.2Å; V81-I133 HydrophobicContact CB-CD1 3.78Å; V81-I133 HydrophobicContact CB-CG1 4.42Å; V81-I133 HydrophobicContact CG1-CD1 3.82Å; V81-I133 HydrophobicContact CG1-CG1 3.91Å
82C98.6Very high97.6Very high14 Ų1456.8 Ų56.810%0.09534%0.335CS..THydrogen-bonded Turntrans-62.8-18.2172.7-60.10000113.1V79 S80 N84 H97 C135 V148V79-C82 VanDerWaalsContact O-CB 3.22Å; V79-C82 WeakPolarHBondContact O-CB 3.3Å; V79-C82 PolarHBondContact O-N 3.34Å; S80-C82 VanDerWaalsContact C-N 3.26Å; S80-C82 PolarHBondContact O-N 2.81Å; C82-N84 VanDerWaalsContact C-N 3.34Å; C82-H97 PolarHBondContact O-CE1 3.13Å; C82-H97 PolarHBondContact O-ND1 3.21Å; C82-C135 WeakPolarHBondContact CA-SG 3.49Å; C82-C135 HydrophobicContact CB-CB 3.61Å; C82-C135 WeakPolarHBondContact CB-SG 3.42Å; C82-C135 WeakPolarHBondContact SG-CB 3.35Å; C82-C135 CovalentContact SG-SG 2.04Å; C82-C135 PolarHBondContact SG-SG 2.89Å; C82-V148 HydrophobicContact CB-CG1 3.92Å
83G98.1Very high97.6Very high71 Ų7161.2 Ų61.273%0.73236%0.355SS*.THydrogen-bonded Turntrans-82-8.2172.800000114.4S80 V81S80-G83 PolarHBondContact O-N 2.98Å; S80-G83 VanDerWaalsContact O-N 3.09Å; V81-G83 PolarHBondContact O-N 2.84Å; V81-G83 VanDerWaalsContact O-N 3.14Å
84N98.5Very high97.6Very high46 Ų4664.2 Ų64.225%0.24637%0.373CS..SBendtrans-73.5165.4178-71.1-11.7000111.5V81 C82 N86 H97 N98 S100V81-N84 VanDerWaalsContact O-CB 3.27Å; V81-N84 WeakPolarHBondContact O-CB 3.43Å; V81-N84 PolarHBondContact O-N 2.71Å; C82-N84 VanDerWaalsContact C-N 3.34Å; N84-N86 PolarHBondContact O-N 3.4Å; N84-H97 HydrophobicContact CB-CB 4.39Å; N84-H97 PolarHBondContact O-ND1 2.86Å; N84-N98 PolarHBondContact ND2-O 3.27Å; N84-S100 PolarHBondContact ND2-OG 2.97Å
85K98.1Very high97.7Very high192 Ų19263.7 Ų63.784%0.83537%0.367SS*.PPolyproline II helixtrans-54.7132.6177.5-174.4-178.2177.7179.80111.6
86N98.1Very high97.7Very high99 Ų9962.4 Ų62.453%0.52936%0.362SS..EExtended strand (participates in β ladder)trans-56141.5172.7-71.942.6000112.1N84 T94 C96 H97N84-N86 PolarHBondContact O-N 3.4Å; N86-T94 WeakPolarHBondContact CB-O 3.25Å; N86-T94 PolarHBondContact ND2-O 3.17Å; N86-C96 CarbonylContact C-O 3.53Å; N86-C96 WeakPolarHBondContact CA-O 3.21Å; N86-H97 PolarHBondContact OD1-CE1 3.27Å; N86-H97 VanDerWaalsContact OD1-CE1 3.27Å
87T97.7Very high97.8Very high39 Ų3960.8 Ų60.824%0.23935%0.346CS..EExtended strand (participates in β ladder)trans-137.2162.1171.9-175.80000109.7T94 C96 R132T87-T94 CarbonylContact O-C 3.5Å; T87-C96 HydrophobicContact CG2-CB 3.78Å; T87-C96 WeakPolarHBondContact CG2-O 3.5Å; T87-C96 PolarHBondContact N-O 3.11Å; T87-C96 WeakPolarHBondContact O-CB 3.36Å; T87-C96 PolarHBondContact O-N 3.39Å; T87-R132 HydrophobicContact CG2-CG 4.35Å
88T98Very high97.8Very high79 Ų7961.8 Ų61.849%0.48535%0.348SS..  trans-72.2128.6174.1-48.70000110.8H93 R132T88-H93 CarbonylContact C-O 3.47Å; T88-H93 WeakPolarHBondContact CA-O 3.26Å; T88-R132 PolarHBondContact O-NH1 3.43Å; T88-R132 VanDerWaalsContact O-NH1 3.11Å
89C98.1Very high97.8Very high7 Ų762.2 Ų62.25%0.04735%0.35CS..  trans-73.5164.8169.3-59.90000111.2N91 G92 H93 N95 C96C89-N91 WeakPolarHBondContact CB-OD1 3.43Å; C89-N91 PolarHBondContact O-N 3.15Å; C89-G92 PolarHBondContact O-N 3.12Å; C89-H93 HydrophobicContact CB-CB 4.44Å; C89-H93 WeakPolarHBondContact CB-O 3.26Å; C89-H93 PolarHBondContact N-O 2.84Å; C89-N95 PolarHBondContact SG-OD1 3.08Å; C89-N95 VanDerWaalsContact SG-OD1 3.4Å; C89-C96 WeakPolarHBondContact CA-SG 3.22Å; C89-C96 HydrophobicContact CB-CB 4.02Å; C89-C96 WeakPolarHBondContact CB-SG 3.33Å; C89-C96 WeakPolarHBondContact SG-CB 3Å; C89-C96 PolarHBondContact SG-N 3.22Å; C89-C96 VanDerWaalsContact SG-N 3.41Å; C89-C96 CovalentContact SG-SG 2.02Å; C89-C96 PolarHBondContact SG-SG 3.2Å
90R95.7Very high97.8Very high192 Ų19265.9 Ų65.973%0.72538%0.377SS*.THydrogen-bonded Turntrans-61.2-28.8175.1-71.8176.7179.9177.70.2113.5G92 D154R90-G92 VanDerWaalsContact C-N 3.26Å; R90-G92 PolarHBondContact O-N 3.4Å; R90-D154 WeakPolarHBondContact CB-OD1 3.42Å; R90-D154 VanDerWaalsContact CD-O 3.31Å; R90-D154 WeakPolarHBondContact CD-O 3.44Å; R90-D154 PolarHBondContact N-OD1 3.09Å; R90-D154 PolarHBondContact N-OD2 3.35Å; R90-D154 VanDerWaalsContact N-OD2 3.15Å; R90-D154 PolarHBondContact NE-O 3.25Å; R90-D154 VanDerWaalsContact NE-O 3.14Å; R90-D154 PolarHBondContact NH1-O 2.85Å
91N94.1Very high97.8Very high105 Ų10564.9 Ų64.956%0.56137%0.373SS*.THydrogen-bonded Turntrans-83.96176.368.4-0.3000113.6C89 H93C89-N91 WeakPolarHBondContact CB-OD1 3.43Å; C89-N91 PolarHBondContact O-N 3.15Å; N91-H93 VanDerWaalsContact C-N 3.32Å; N91-H93 PolarHBondContact ND2-CD2 3.03Å; N91-H93 PolarHBondContact O-N 3.01Å; N91-H93 WeakPolarHBondContact OD1-CB 3.27Å; N91-H93 PolarHBondContact OD1-CD2 2.53Å; N91-H93 VanDerWaalsContact OD1-CD2 3.32Å; N91-H93 PolarHBondContact OD1-N 3.12Å; N91-H93 VanDerWaalsContact OD1-N 3.15Å
92G96.2Very high97.7Very high50 Ų5067.3 Ų67.352%0.51539%0.39SS..SBendtrans85.4-9.417800000115.6C89 R90C89-G92 PolarHBondContact O-N 3.12Å; R90-G92 VanDerWaalsContact C-N 3.26Å; R90-G92 PolarHBondContact O-N 3.4Å
93H96.5Very high97.6Very high113 Ų11367.9 Ų67.952%0.52339%0.392SS..  trans-66.8156.7172.8-70.4-102.9000111.2T88 C89 N91 N95T88-H93 CarbonylContact C-O 3.47Å; T88-H93 WeakPolarHBondContact CA-O 3.26Å; C89-H93 HydrophobicContact CB-CB 4.44Å; C89-H93 WeakPolarHBondContact CB-O 3.26Å; C89-H93 PolarHBondContact N-O 2.84Å; N91-H93 VanDerWaalsContact C-N 3.32Å; N91-H93 PolarHBondContact ND2-CD2 3.03Å; N91-H93 PolarHBondContact O-N 3.01Å; N91-H93 WeakPolarHBondContact OD1-CB 3.27Å; N91-H93 PolarHBondContact OD1-CD2 2.53Å; N91-H93 VanDerWaalsContact OD1-CD2 3.32Å; N91-H93 PolarHBondContact OD1-N 3.12Å; N91-H93 VanDerWaalsContact OD1-N 3.15Å; H93-N95 WeakPolarHBondContact CB-OD1 3.36Å
94T97.9Very high97.6Very high92 Ų9266.9 Ų66.956%0.56437%0.374SS*.SBendtrans-108.616-176.255.50000113.4N86 T87 C96N86-T94 WeakPolarHBondContact CB-O 3.25Å; N86-T94 PolarHBondContact ND2-O 3.17Å; T87-T94 CarbonylContact O-C 3.5Å; T94-C96 VanDerWaalsContact C-N 3.33Å
95N98.4Very high97.5Very high32 Ų3264.7 Ų64.717%0.17136%0.363CS..  trans-95.822.6178.570.9-33.8000112.7C89 H93 H97 A134 C135 D136C89-N95 PolarHBondContact SG-OD1 3.08Å; C89-N95 VanDerWaalsContact SG-OD1 3.4Å; H93-N95 WeakPolarHBondContact CB-OD1 3.36Å; N95-H97 PolarHBondContact O-CD2 3.01Å; N95-H97 VanDerWaalsContact O-CD2 3.23Å; N95-H97 PolarHBondContact O-NE2 3.5Å; N95-A134 CarbonylContact O-C 3.48Å; N95-A134 WeakPolarHBondContact O-CA 3.28Å; N95-C135 WeakPolarHBondContact CB-O 3.32Å; N95-C135 PolarHBondContact ND2-O 2.89Å; N95-C135 VanDerWaalsContact ND2-O 3.08Å; N95-C135 PolarHBondContact O-N 3.42Å; N95-D136 PolarHBondContact ND2-OD1 2.65Å
96C98.8Very high97.5Very high0 Ų055.8 Ų55.80%032%0.324CS..EExtended strand (participates in β ladder)trans-91.9153.3174-82.10000112.1N86 T87 C89 T94 R132 I133N86-C96 CarbonylContact C-O 3.53Å; N86-C96 WeakPolarHBondContact CA-O 3.21Å; T87-C96 HydrophobicContact CG2-CB 3.78Å; T87-C96 WeakPolarHBondContact CG2-O 3.5Å; T87-C96 PolarHBondContact N-O 3.11Å; T87-C96 WeakPolarHBondContact O-CB 3.36Å; T87-C96 PolarHBondContact O-N 3.39Å; C89-C96 WeakPolarHBondContact CA-SG 3.22Å; C89-C96 HydrophobicContact CB-CB 4.02Å; C89-C96 WeakPolarHBondContact CB-SG 3.33Å; C89-C96 WeakPolarHBondContact SG-CB 3Å; C89-C96 PolarHBondContact SG-N 3.22Å; C89-C96 VanDerWaalsContact SG-N 3.41Å; C89-C96 CovalentContact SG-SG 2.02Å; C89-C96 PolarHBondContact SG-SG 3.2Å; T94-C96 VanDerWaalsContact C-N 3.33Å; C96-R132 HydrophobicContact CB-CG 3.77Å; C96-I133 CarbonylContact C-O 3.53Å; C96-I133 WeakPolarHBondContact CA-O 2.97Å
97H98.8Very high97.5Very high9 Ų953.9 Ų53.94%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-140.7131.1-177.8-52.3-95.9000109.2V81 C82 N84 N86 N95 R132 I133 C135V81-H97 HydrophobicContact CG1-CB 3.99Å; V81-H97 WeakPolarHBondContact O-CB 3.25Å; C82-H97 PolarHBondContact O-CE1 3.13Å; C82-H97 PolarHBondContact O-ND1 3.21Å; N84-H97 HydrophobicContact CB-CB 4.39Å; N84-H97 PolarHBondContact O-ND1 2.86Å; N86-H97 PolarHBondContact OD1-CE1 3.27Å; N86-H97 VanDerWaalsContact OD1-CE1 3.27Å; N95-H97 PolarHBondContact O-CD2 3.01Å; N95-H97 VanDerWaalsContact O-CD2 3.23Å; N95-H97 PolarHBondContact O-NE2 3.5Å; H97-R132 WeakPolarHBondContact O-CA 3.5Å; H97-I133 HydrophobicContact CB-CG1 4.43Å; H97-I133 PolarHBondContact N-O 3.5Å; H97-I133 PolarHBondContact O-N 2.95Å; H97-C135 VanDerWaalsContact CD2-SG 3.57Å
98N98.8Very high97.6Very high53 Ų5352 Ų5228%0.28330%0.299SS..EExtended strand (participates in β ladder)trans-86.7139.8175.9-66.8-29000110N84 R132 F157N84-N98 PolarHBondContact ND2-O 3.27Å; N98-R132 PolarHBondContact OD1-NE 2.92Å; N98-R132 PolarHBondContact OD1-NH2 2.88Å; N98-F157 HydrophobicContact CB-CZ 4.14Å
99S98.6Very high97.6Very high8 Ų850.8 Ų50.86%0.05629%0.289CS..  trans-60.5138.4168.9620000111.2A101 F130 Y131S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 2.81Å; S99-A101 PolarHBondContact OG-O 3.37Å; S99-F130 WeakPolarHBondContact OG-CA 3.05Å; S99-Y131 VanDerWaalsContact CB-CD1 3.44Å; S99-Y131 PolarHBondContact N-O 2.68Å; S99-Y131 PolarHBondContact OG-N 3.33Å; S99-Y131 PolarHBondContact OG-O 3.33Å
100S97.9Very high97.6Very high96 Ų9652.3 Ų52.367%0.67130%0.296SS*.SBendtrans-74.7-20.7179.2-49.20000113.5N84N84-S100 PolarHBondContact ND2-OG 2.97Å
101A97.6Very high97.7Very high57 Ų5747.2 Ų47.247%0.47129%0.287SS..SBendtrans-140.5152.5-179.900000109.7S99S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 2.81Å; S99-A101 PolarHBondContact OG-O 3.37Å
102P97.9Very high97.9Very high60 Ų6045.8 Ų45.839%0.3928%0.282SS..  trans-70.3149.1174.232.6-34.2000110T128 K129 F130P102-T128 HydrophobicContact CB-CG2 3.99Å; P102-T128 HydrophobicContact CG-CG2 4.33Å; P102-K129 CarbonylContact C-O 3.53Å; P102-K129 WeakPolarHBondContact CA-O 3.42Å; P102-F130 HydrophobicContact CB-CD2 4.24Å; P102-F130 HydrophobicContact CB-CE2 4.24Å; P102-F130 HydrophobicContact CB-CG 4.37Å; P102-F130 HydrophobicContact CB-CZ 4.4Å; P102-F130 HydrophobicContact CG-CE2 4.39Å; P102-F130 HydrophobicContact CG-CZ 4.23Å
103V96.7Very high98Very high25 Ų2551.5 Ų51.515%0.15229%0.288CS..EExtended strand (participates in β ladder)trans-120.5154.9177.3-620000110.5L71 L105 T128 K129 Y131L71-V103 HydrophobicContact CD2-CG2 4.15Å; V103-L105 PolarHBondContact O-N 3.44Å; V103-T128 WeakPolarHBondContact O-CA 3.37Å; V103-K129 PolarHBondContact N-O 3.15Å; V103-K129 PolarHBondContact O-N 3.16Å; V103-K129 VanDerWaalsContact O-N 3.13Å; V103-Y131 HydrophobicContact CB-CE1 4.35Å; V103-Y131 HydrophobicContact CG1-CD1 4.47Å; V103-Y131 HydrophobicContact CG1-CE1 3.77Å; V103-Y131 HydrophobicContact CG2-CD1 3.61Å; V103-Y131 HydrophobicContact CG2-CE1 3.61Å
104S97.2Very high98Very high51 Ų5147.1 Ų47.136%0.35727%0.27SS..EExtended strand (participates in β ladder)trans-61.4133.7163.3-178.90000108.9N72 A127N72-S104 WeakPolarHBondContact CB-O 3.23Å; N72-S104 PolarHBondContact N-O 3.26Å; N72-S104 PolarHBondContact ND2-OG 3.33Å; N72-S104 VanDerWaalsContact ND2-OG 3.07Å; S104-A127 WeakPolarHBondContact CA-O 3.41Å
105L97.3Very high97.8Very high0 Ų047.5 Ų47.50%028%0.277CS..EExtended strand (participates in β ladder)trans-143.9166.7174.165.175.8000110.8T69 F70 L71 V103 Y107 P126 A127 K129 I156T69-L105 HydrophobicContact CG2-CB 4.34Å; T69-L105 HydrophobicContact CG2-CD1 4.03Å; T69-L105 HydrophobicContact CG2-CD2 4.16Å; T69-L105 HydrophobicContact CG2-CG 4.44Å; F70-L105 CarbonylContact O-C 3.6Å; F70-L105 WeakPolarHBondContact O-CA 3.32Å; F70-L105 VanDerWaalsContact O-CB 3.26Å; F70-L105 WeakPolarHBondContact O-CB 3.3Å; L71-L105 HydrophobicContact CD2-CB 4.2Å; L71-L105 HydrophobicContact CD2-CD2 4.13Å; V103-L105 PolarHBondContact O-N 3.44Å; L105-Y107 HydrophobicContact CD1-CD1 4.35Å; L105-Y107 HydrophobicContact CD1-CD2 3.92Å; L105-Y107 HydrophobicContact CD1-CE1 4.06Å; L105-Y107 HydrophobicContact CD1-CE2 3.62Å; L105-Y107 HydrophobicContact CD1-CG 4.3Å; L105-P126 WeakPolarHBondContact O-CA 3.38Å; L105-A127 HydrophobicContact CD1-CB 3.82Å; L105-A127 HydrophobicContact CG-CB 4.44Å; L105-A127 PolarHBondContact N-O 3.43Å; L105-A127 PolarHBondContact O-N 3.45Å; L105-K129 HydrophobicContact CD2-CB 3.89Å; L105-I156 HydrophobicContact CD2-CD1 3.74Å; L105-I156 HydrophobicContact CD2-CG1 4.32Å; L105-I156 HydrophobicContact CD2-CG2 3.83Å
106T98.3Very high97.7Very high4 Ų449.2 Ų49.23%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-131.3118.5-177.5-48.70000109.7L48 T69 F70 N72 T124L48-T106 HydrophobicContact CD2-CG2 3.64Å; T69-T106 WeakPolarHBondContact CA-O 3.35Å; F70-T106 PolarHBondContact N-O 2.99Å; F70-T106 PolarHBondContact O-N 3.47Å; N72-T106 PolarHBondContact ND2-OG1 2.9Å; N72-T106 PolarHBondContact OD1-OG1 3Å; T106-T124 HydrophobicContact CG2-CG2 3.6Å
107Y98.3Very high97.6Very high59 Ų5952 Ų5223%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-82.4132.1169-60.3-72000110.1C50 T69 L105 T125 A127 I156C50-Y107 PolarHBondContact SG-O 2.96Å; C50-Y107 VanDerWaalsContact SG-O 3.42Å; T69-Y107 HydrophobicContact CG2-CD1 4.21Å; T69-Y107 HydrophobicContact CG2-CE1 4.21Å; T69-Y107 WeakPolarHBondContact OG1-CD1 3.27Å; L105-Y107 HydrophobicContact CD1-CD1 4.35Å; L105-Y107 HydrophobicContact CD1-CD2 3.92Å; L105-Y107 HydrophobicContact CD1-CE1 4.06Å; L105-Y107 HydrophobicContact CD1-CE2 3.62Å; L105-Y107 HydrophobicContact CD1-CG 4.3Å; Y107-T125 PolarHBondContact N-O 3.37Å; Y107-T125 PolarHBondContact O-N 3.12Å; Y107-A127 HydrophobicContact CD2-CB 4.27Å; Y107-A127 HydrophobicContact CE2-CB 3.76Å; Y107-I156 HydrophobicContact CE1-CG1 4.45Å; Y107-I156 WeakPolarHBondContact OH-CG2 3.36Å
108C98.4Very high97.5Very high0 Ų054.2 Ų54.20%031%0.311CS..EExtended strand (participates in β ladder)trans-115.9105.4175.4-61.30000109.4C50 M54 I67 N68 F70 Y122 Q123C50-C108 VanDerWaalsContact CA-SG 3.59Å; C50-C108 HydrophobicContact CB-CB 3.55Å; C50-C108 WeakPolarHBondContact CB-SG 3.29Å; C50-C108 WeakPolarHBondContact SG-CA 3.42Å; C50-C108 WeakPolarHBondContact SG-CB 3.18Å; C50-C108 CovalentContact SG-SG 2.03Å; C50-C108 PolarHBondContact SG-SG 3.25Å; M54-C108 HydrophobicContact CG-CB 4.02Å; M54-C108 HydrophobicContact SD-CB 4.15Å; I67-C108 CarbonylContact C-O 3.47Å; I67-C108 WeakPolarHBondContact CA-O 3.32Å; N68-C108 HydrophobicContact CB-CB 4.27Å; N68-C108 PolarHBondContact N-O 3.07Å; N68-C108 PolarHBondContact O-N 3.21Å; F70-C108 VanDerWaalsContact CD2-SG 3.58Å; C108-Y122 HydrophobicContact CB-CD1 4.19Å; C108-Q123 WeakPolarHBondContact CA-O 3.41Å
109N98.4Very high97.5Very high54 Ų5457 Ų5729%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-106.5126.4177.4-63-43000109.4T111 Y122 Q123N109-T111 PolarHBondContact O-N 3.34Å; N109-Y122 CarbonylContact O-C 3.59Å; N109-Y122 VanDerWaalsContact O-CA 3.27Å; N109-Y122 WeakPolarHBondContact O-CA 3.32Å; N109-Q123 PolarHBondContact N-O 2.93Å; N109-Q123 PolarHBondContact O-N 3.33Å
110L98.4Very high97.5Very high38 Ų3856.7 Ų56.720%0.19932%0.32CS..EExtended strand (participates in β ladder)trans-62123.7178.3-175.571.9000109.8C64 N66 T112 W113 C120 R121 Y122C64-L110 HydrophobicContact CB-CD1 3.84Å; C64-L110 HydrophobicContact CB-CD2 3.86Å; N66-L110 VanDerWaalsContact O-CB 3.32Å; N66-L110 WeakPolarHBondContact O-CB 3.29Å; N66-L110 PolarHBondContact O-N 3.14Å; L110-T112 WeakPolarHBondContact CD1-O 3.45Å; L110-W113 HydrophobicContact CD2-CB 3.92Å; L110-W113 HydrophobicContact CD2-CG 4.3Å; L110-C120 HydrophobicContact CD1-CB 3.9Å; L110-R121 WeakPolarHBondContact CD1-O 3.15Å; L110-Y122 HydrophobicContact CB-CD1 4.13Å; L110-Y122 HydrophobicContact CB-CE1 3.76Å; L110-Y122 HydrophobicContact CD1-CD1 4.32Å; L110-Y122 HydrophobicContact CD1-CD2 4.37Å; L110-Y122 HydrophobicContact CD1-CE1 3.77Å; L110-Y122 HydrophobicContact CD1-CE2 3.85Å; L110-Y122 VanDerWaalsContact CD1-CZ 3.5Å; L110-Y122 HydrophobicContact CG-CE1 4.4Å
111T98.5Very high97.5Very high86 Ų8659 Ų5953%0.52831%0.314SS..EExtended strand (participates in β ladder)trans-107.6-27.5176.556.10000112.1N109 R121 Q123N109-T111 PolarHBondContact O-N 3.34Å; T111-R121 PolarHBondContact N-O 3.38Å; T111-R121 PolarHBondContact OG1-O 3.5Å; T111-R121 VanDerWaalsContact OG1-O 3.12Å; T111-Q123 HydrophobicContact CG2-CB 3.69Å
112T98Very high97.6Very high75 Ų7556.8 Ų56.846%0.4629%0.294SS..EExtended strand (participates in β ladder)trans-137110.4177.3-48.20000108.9L110 C120 R121L110-T112 WeakPolarHBondContact CD1-O 3.45Å; T112-C120 WeakPolarHBondContact O-CA 3.38Å; T112-R121 PolarHBondContact N-O 3.21Å; T112-R121 PolarHBondContact O-N 2.99Å
113W97.4Very high97.6Very high169 Ų16959 Ų5964%0.6430%0.299SS*.  trans-78.2145.6172.6-175.992.2000110.6L110L110-W113 HydrophobicContact CD2-CB 3.92Å; L110-W113 HydrophobicContact CD2-CG 4.3Å
114S96.6Very high97.7Very high21 Ų2159.9 Ų59.915%0.14730%0.304CS..  trans-143.5148.3169.1179.30000109.3C64 N116 Q119C64-S114 PolarHBondContact SG-N 3.08Å; C64-S114 VanDerWaalsContact SG-N 3.43Å; C64-S114 PolarHBondContact SG-O 3.34Å; S114-N116 WeakPolarHBondContact CB-O 3.32Å; S114-N116 PolarHBondContact O-N 3.04Å; S114-N116 PolarHBondContact OG-N 2.02Å; S114-N116 VanDerWaalsContact OG-N 3.15Å; S114-N116 PolarHBondContact OG-O 3.5Å; S114-Q119 PolarHBondContact OG-OE1 3.42Å
115S94.2Very high97.7Very high101 Ų10159.8 Ų59.871%0.70630%0.302SS*.SBendtrans-65.2-28.9169.656.70000111.7
116N96.8Very high97.7Very high67 Ų6764.4 Ų64.436%0.35833%0.332SS..SBendtrans-88108.7168.9-178.6-11.6000109.6S114 T118 Q119S114-N116 WeakPolarHBondContact CB-O 3.32Å; S114-N116 PolarHBondContact O-N 3.04Å; S114-N116 PolarHBondContact OG-N 2.02Å; S114-N116 VanDerWaalsContact OG-N 3.15Å; S114-N116 PolarHBondContact OG-O 3.5Å; N116-T118 VanDerWaalsContact CG-OG1 3.26Å; N116-T118 PolarHBondContact ND2-OG1 3.4Å; N116-T118 PolarHBondContact O-N 3.23Å; N116-T118 WeakPolarHBondContact OD1-CB 3.09Å; N116-T118 PolarHBondContact OD1-N 3.43Å; N116-T118 VanDerWaalsContact OD1-N 3.1Å; N116-T118 PolarHBondContact OD1-OG1 3.32Å; N116-Q119 HydrophobicContact CB-CG 4.39Å; N116-Q119 PolarHBondContact O-N 2.96Å
117Y95.4Very high97.6Very high58 Ų5865.4 Ų65.423%0.22734%0.341CS..G310 helixtrans-59.4-22.2-174.381.5-97.2000114.1N58 N59 Q119 C120N58-Y117 HydrophobicContact CB-CD2 3.74Å; N58-Y117 HydrophobicContact CB-CG 4.22Å; N59-Y117 HydrophobicContact CB-CE2 3.78Å; N59-Y117 PolarHBondContact OD1-OH 3.49Å; Y117-Q119 PolarHBondContact O-N 3.1Å; Y117-C120 VanDerWaalsContact C-SG 3.59Å; Y117-C120 WeakPolarHBondContact CA-SG 3.24Å; Y117-C120 PolarHBondContact O-N 3.34Å; Y117-C120 PolarHBondContact O-SG 2.79Å
118T97.3Very high97.6Very high56 Ų5667.3 Ų67.334%0.34436%0.358SS..G310 helixtrans-71.2-16.1178.7660000113K55 N116K55-T118 VanDerWaalsContact CE-O 3.27Å; K55-T118 WeakPolarHBondContact CE-O 3.5Å; N116-T118 VanDerWaalsContact CG-OG1 3.26Å; N116-T118 PolarHBondContact ND2-OG1 3.4Å; N116-T118 PolarHBondContact O-N 3.23Å; N116-T118 WeakPolarHBondContact OD1-CB 3.09Å; N116-T118 PolarHBondContact OD1-N 3.43Å; N116-T118 VanDerWaalsContact OD1-N 3.1Å; N116-T118 PolarHBondContact OD1-OG1 3.32Å
119Q98.2Very high97.6Very high111 Ų11171 Ų7152%0.51937%0.374SS..G310 helixtrans-102.1-2.6-177.6-63.2178.8-18.800113.4S114 N116 Y117 R121S114-Q119 PolarHBondContact OG-OE1 3.42Å; N116-Q119 HydrophobicContact CB-CG 4.39Å; N116-Q119 PolarHBondContact O-N 2.96Å; Y117-Q119 PolarHBondContact O-N 3.1Å; Q119-R121 PolarHBondContact O-N 3Å
120C98.1Very high97.6Very high2 Ų272.1 Ų72.11%0.01438%0.377CS..  trans-57.6139.7175.4-46.40000110.5C64 L110 T112 Y117 Y122C64-C120 WeakPolarHBondContact CA-SG 3.47Å; C64-C120 HydrophobicContact CB-CB 3.99Å; C64-C120 WeakPolarHBondContact CB-SG 3.27Å; C64-C120 WeakPolarHBondContact SG-CB 3.26Å; C64-C120 CovalentContact SG-SG 2.02Å; C64-C120 PolarHBondContact SG-SG 3.47Å; L110-C120 HydrophobicContact CD1-CB 3.9Å; T112-C120 WeakPolarHBondContact O-CA 3.38Å; Y117-C120 VanDerWaalsContact C-SG 3.59Å; Y117-C120 WeakPolarHBondContact CA-SG 3.24Å; Y117-C120 PolarHBondContact O-N 3.34Å; Y117-C120 PolarHBondContact O-SG 2.79Å; C120-Y122 HydrophobicContact CB-CD2 4.33Å; C120-Y122 HydrophobicContact CB-CE2 3.54Å
121R98.6Very high97.6Very high144 Ų14470.5 Ų70.554%0.54337%0.368SS..EExtended strand (participates in β ladder)trans-117144.3173.5-56.1-64.1-177.3150.10.1110.6L110 T111 T112 Q119L110-R121 WeakPolarHBondContact CD1-O 3.15Å; T111-R121 PolarHBondContact N-O 3.38Å; T111-R121 PolarHBondContact OG1-O 3.5Å; T111-R121 VanDerWaalsContact OG1-O 3.12Å; T112-R121 PolarHBondContact N-O 3.21Å; T112-R121 PolarHBondContact O-N 2.99Å; Q119-R121 PolarHBondContact O-N 3Å
122Y98.7Very high97.6Very high11 Ų1169.2 Ų69.24%0.04335%0.354CS..EExtended strand (participates in β ladder)trans-133.1138.8-175.2-68.7-95.6000111.6C50 T51 M54 N58 K65 C108 N109 L110 C120C50-Y122 HydrophobicContact CB-CG 4.38Å; T51-Y122 PolarHBondContact OG1-N 3.01Å; T51-Y122 VanDerWaalsContact OG1-N 3.11Å; T51-Y122 PolarHBondContact OG1-O 3.41Å; M54-Y122 HydrophobicContact CB-CD2 3.68Å; M54-Y122 HydrophobicContact CB-CE1 4.33Å; M54-Y122 HydrophobicContact CB-CE2 3.39Å; M54-Y122 HydrophobicContact CB-CG 4.27Å; M54-Y122 HydrophobicContact CE-CE1 4.06Å; M54-Y122 HydrophobicContact CG-CD1 3.91Å; M54-Y122 HydrophobicContact CG-CD2 3.86Å; M54-Y122 HydrophobicContact CG-CE1 3.88Å; M54-Y122 HydrophobicContact CG-CE2 3.82Å; M54-Y122 HydrophobicContact CG-CG 3.91Å; N58-Y122 PolarHBondContact ND2-OH 3.33Å; N58-Y122 PolarHBondContact OD1-OH 2.82Å; K65-Y122 PolarHBondContact N-OH 3.04Å; K65-Y122 WeakPolarHBondContact O-CE1 3.48Å; K65-Y122 VanDerWaalsContact O-CZ 3.28Å; K65-Y122 PolarHBondContact O-OH 2.82Å; C108-Y122 HydrophobicContact CB-CD1 4.19Å; N109-Y122 CarbonylContact O-C 3.59Å; N109-Y122 VanDerWaalsContact O-CA 3.27Å; N109-Y122 WeakPolarHBondContact O-CA 3.32Å; L110-Y122 HydrophobicContact CB-CD1 4.13Å; L110-Y122 HydrophobicContact CB-CE1 3.76Å; L110-Y122 HydrophobicContact CD1-CD1 4.32Å; L110-Y122 HydrophobicContact CD1-CD2 4.37Å; L110-Y122 HydrophobicContact CD1-CE1 3.77Å; L110-Y122 HydrophobicContact CD1-CE2 3.85Å; L110-Y122 VanDerWaalsContact CD1-CZ 3.5Å; L110-Y122 HydrophobicContact CG-CE1 4.4Å; C120-Y122 HydrophobicContact CB-CD2 4.33Å; C120-Y122 HydrophobicContact CB-CE2 3.54Å
123Q98.6Very high97.7Very high108 Ų10865.7 Ų65.751%0.50533%0.332SS..EExtended strand (participates in β ladder)trans-70.7140.5162.5-173.3176.633.500109.3C50 C108 N109 T111C50-Q123 PolarHBondContact SG-O 3.44Å; C108-Q123 WeakPolarHBondContact CA-O 3.41Å; N109-Q123 PolarHBondContact N-O 2.93Å; N109-Q123 PolarHBondContact O-N 3.33Å; T111-Q123 HydrophobicContact CG2-CB 3.69Å
124T98.4Very high97.7Very high42 Ų4257.9 Ų57.926%0.25830%0.304SS..EExtended strand (participates in β ladder)trans-110.4114.2176.5-57.40000108.4L48 C50 T106L48-T124 VanDerWaalsContact O-CG2 3.26Å; L48-T124 WeakPolarHBondContact O-CG2 3.22Å; C50-T124 WeakPolarHBondContact CB-OG1 3.44Å; C50-T124 PolarHBondContact N-OG1 3.21Å; T106-T124 HydrophobicContact CG2-CG2 3.6Å
125T98Very high97.8Very high49 Ų4957.1 Ų57.130%0.30130%0.298SS..EExtended strand (participates in β ladder)trans-122.8105.9-179.5-54.90000109.7Y107Y107-T125 PolarHBondContact N-O 3.37Å; Y107-T125 PolarHBondContact O-N 3.12Å
126P97.1Very high98.1Very high97 Ų9755.8 Ų55.863%0.6328%0.283SS*.EExtended strand (participates in β ladder)trans-72.9150.2176.830.9-34.2000111.2L105L105-P126 WeakPolarHBondContact O-CA 3.38Å
127A97Very high98.1Very high26 Ų2658.6 Ų58.622%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-153.1170.7171.300000111.7S104 L105 Y107 K129S104-A127 WeakPolarHBondContact CA-O 3.41Å; L105-A127 HydrophobicContact CD1-CB 3.82Å; L105-A127 HydrophobicContact CG-CB 4.44Å; L105-A127 PolarHBondContact N-O 3.43Å; L105-A127 PolarHBondContact O-N 3.45Å; Y107-A127 HydrophobicContact CD2-CB 4.27Å; Y107-A127 HydrophobicContact CE2-CB 3.76Å; A127-K129 HydrophobicContact CB-CG 4.26Å
128T97.8Very high98.2Very high98 Ų9860.3 Ų60.360%0.60130%0.304SS*.EExtended strand (participates in β ladder)trans-129.7113171.8-58.60000108.6P102 V103P102-T128 HydrophobicContact CB-CG2 3.99Å; P102-T128 HydrophobicContact CG-CG2 4.33Å; V103-T128 WeakPolarHBondContact O-CA 3.37Å
129K98.4Very high98.3Very high77 Ų7762.4 Ų62.434%0.33531%0.309SS..EExtended strand (participates in β ladder)trans-148.8158-167-70.1-62.7-161.1163.60112.1P102 V103 L105 A127 I156 F157P102-K129 CarbonylContact C-O 3.53Å; P102-K129 WeakPolarHBondContact CA-O 3.42Å; V103-K129 PolarHBondContact N-O 3.15Å; V103-K129 PolarHBondContact O-N 3.16Å; V103-K129 VanDerWaalsContact O-N 3.13Å; L105-K129 HydrophobicContact CD2-CB 3.89Å; A127-K129 HydrophobicContact CB-CG 4.26Å; K129-I156 HydrophobicContact CB-CG2 3.41Å; K129-I156 VanDerWaalsContact CB-CG2 3.41Å; K129-I156 HydrophobicContact CG-CG2 3.75Å; K129-F157 WeakPolarHBondContact CD-OXT 3.49Å; K129-F157 PolarHBondContact NZ-OXT 3.45Å
130F98.6Very high98.2Very high78 Ų7862.5 Ų62.534%0.34232%0.319SS..  trans-76.7157.9164.9-63.7-90.2000109.5S99 P102 I156 F157S99-F130 WeakPolarHBondContact OG-CA 3.05Å; P102-F130 HydrophobicContact CB-CD2 4.24Å; P102-F130 HydrophobicContact CB-CE2 4.24Å; P102-F130 HydrophobicContact CB-CG 4.37Å; P102-F130 HydrophobicContact CB-CZ 4.4Å; P102-F130 HydrophobicContact CG-CE2 4.39Å; P102-F130 HydrophobicContact CG-CZ 4.23Å; F130-I156 WeakPolarHBondContact O-CA 3.47Å; F130-F157 HydrophobicContact CB-CD2 3.75Å; F130-F157 HydrophobicContact CB-CE1 4.3Å; F130-F157 HydrophobicContact CB-CE2 3.48Å; F130-F157 VanDerWaalsContact CB-CE2 3.48Å; F130-F157 HydrophobicContact CB-CG 4.27Å; F130-F157 HydrophobicContact CB-CZ 3.77Å; F130-F157 WeakPolarHBondContact CB-O 3.34Å; F130-F157 HydrophobicContact CG-CD2 4.45Å; F130-F157 HydrophobicContact CG-CE2 4.12Å; F130-F157 PolarHBondContact N-O 3.13Å; F130-F157 PolarHBondContact O-N 3.11Å
131Y98.6Very high98.1Very high5 Ų568.8 Ų68.82%0.0235%0.348CS..EExtended strand (participates in β ladder)trans-139158178.366.4-83000111.4L71 V78 V81 S99 V103 I133 L153 G155L71-Y131 HydrophobicContact CD1-CD2 3.75Å; L71-Y131 HydrophobicContact CD1-CE2 3.75Å; L71-Y131 HydrophobicContact CD1-CG 4.16Å; L71-Y131 HydrophobicContact CD2-CD1 4.24Å; L71-Y131 HydrophobicContact CD2-CD2 4.46Å; L71-Y131 HydrophobicContact CD2-CG 4.05Å; V78-Y131 HydrophobicContact CG1-CE2 4.28Å; V81-Y131 HydrophobicContact CG2-CE2 4.3Å; V81-Y131 VanDerWaalsContact CG2-OH 3.29Å; V81-Y131 WeakPolarHBondContact CG2-OH 3.2Å; S99-Y131 VanDerWaalsContact CB-CD1 3.44Å; S99-Y131 PolarHBondContact N-O 2.68Å; S99-Y131 PolarHBondContact OG-N 3.33Å; S99-Y131 PolarHBondContact OG-O 3.33Å; V103-Y131 HydrophobicContact CB-CE1 4.35Å; V103-Y131 HydrophobicContact CG1-CD1 4.47Å; V103-Y131 HydrophobicContact CG1-CE1 3.77Å; V103-Y131 HydrophobicContact CG2-CD1 3.61Å; V103-Y131 HydrophobicContact CG2-CE1 3.61Å; Y131-I133 HydrophobicContact CD2-CG2 3.81Å; Y131-I133 HydrophobicContact CE2-CG2 3.9Å; Y131-L153 HydrophobicContact CD2-CD1 4.33Å; Y131-G155 CarbonylContact C-O 3.43Å; Y131-G155 VanDerWaalsContact CA-O 3.32Å; Y131-G155 WeakPolarHBondContact CA-O 3.14Å
132R98.7Very high98Very high59 Ų5962.5 Ų62.522%0.22333%0.325CS..EExtended strand (participates in β ladder)trans-124.2129.6175.1-178.5-177.9-65.1170.57.4109.3T87 T88 C96 H97 N98 D154 G155 F157T87-R132 HydrophobicContact CG2-CG 4.35Å; T88-R132 PolarHBondContact O-NH1 3.43Å; T88-R132 VanDerWaalsContact O-NH1 3.11Å; C96-R132 HydrophobicContact CB-CG 3.77Å; H97-R132 WeakPolarHBondContact O-CA 3.5Å; N98-R132 PolarHBondContact OD1-NE 2.92Å; N98-R132 PolarHBondContact OD1-NH2 2.88Å; R132-D154 HydrophobicContact CB-CB 4.39Å; R132-D154 WeakPolarHBondContact CD-OD2 3.33Å; R132-D154 HydrophobicContact CG-CB 4.04Å; R132-D154 IonicContact NH1-OD2 3.94Å; R132-D154 PolarHBondContact O-N 3.38Å; R132-G155 PolarHBondContact N-O 3.27Å; R132-G155 PolarHBondContact O-N 3.35Å; R132-F157 HydrophobicContact CB-CE1 4.1Å
133I98.8Very high97.8Very high0 Ų064.7 Ų64.70%034%0.342CS..EExtended strand (participates in β ladder)trans-116.1150.1175.354.8174.7000110.3F37 V78 V81 C96 H97 Y131 C135 P150 H152 L153F37-I133 HydrophobicContact CE2-CG2 3.87Å; F37-I133 HydrophobicContact CZ-CG2 3.74Å; V78-I133 HydrophobicContact CG1-CD1 3.79Å; V78-I133 HydrophobicContact CG1-CG2 4.16Å; V78-I133 WeakPolarHBondContact O-CD1 3.39Å; V81-I133 HydrophobicContact CB-CD1 3.78Å; V81-I133 HydrophobicContact CB-CG1 4.42Å; V81-I133 HydrophobicContact CG1-CD1 3.82Å; V81-I133 HydrophobicContact CG1-CG1 3.91Å; C96-I133 CarbonylContact C-O 3.53Å; C96-I133 WeakPolarHBondContact CA-O 2.97Å; H97-I133 HydrophobicContact CB-CG1 4.43Å; H97-I133 PolarHBondContact N-O 3.5Å; H97-I133 PolarHBondContact O-N 2.95Å; Y131-I133 HydrophobicContact CD2-CG2 3.81Å; Y131-I133 HydrophobicContact CE2-CG2 3.9Å; I133-C135 WeakPolarHBondContact CD1-SG 3.47Å; I133-P150 HydrophobicContact CD1-CB 4.07Å; I133-H152 CarbonylContact C-O 3.35Å; I133-H152 WeakPolarHBondContact CA-O 3.47Å; I133-H152 WeakPolarHBondContact CB-O 3.39Å; I133-L153 HydrophobicContact CG2-CD1 4.21Å
134A98.8Very high97.7Very high6 Ų664 Ų645%0.0535%0.347CS..EExtended strand (participates in β ladder)trans-91.7140.2160.400000109.1N95 V151 H152N95-A134 CarbonylContact O-C 3.48Å; N95-A134 WeakPolarHBondContact O-CA 3.28Å; A134-V151 HydrophobicContact CB-CG2 4.25Å; A134-V151 WeakPolarHBondContact O-CG2 3.45Å; A134-V151 PolarHBondContact O-N 2.98Å; A134-H152 HydrophobicContact CB-CB 3.9Å; A134-H152 PolarHBondContact N-O 3.26Å; A134-H152 PolarHBondContact O-N 2.91Å
135C98.8Very high97.6Very high5 Ų567.8 Ų67.83%0.03437%0.366CS..EExtended strand (participates in β ladder)trans-125.9143.6179.2-58.30000111.3C82 N95 H97 I133 V148 V149C82-C135 WeakPolarHBondContact CA-SG 3.49Å; C82-C135 HydrophobicContact CB-CB 3.61Å; C82-C135 WeakPolarHBondContact CB-SG 3.42Å; C82-C135 WeakPolarHBondContact SG-CB 3.35Å; C82-C135 CovalentContact SG-SG 2.04Å; C82-C135 PolarHBondContact SG-SG 2.89Å; N95-C135 WeakPolarHBondContact CB-O 3.32Å; N95-C135 PolarHBondContact ND2-O 2.89Å; N95-C135 VanDerWaalsContact ND2-O 3.08Å; N95-C135 PolarHBondContact O-N 3.42Å; H97-C135 VanDerWaalsContact CD2-SG 3.57Å; I133-C135 WeakPolarHBondContact CD1-SG 3.47Å; C135-V148 HydrophobicContact CB-CG1 3.85Å; C135-V149 VanDerWaalsContact CA-O 3.25Å; C135-V149 WeakPolarHBondContact CA-O 3.45Å
136D98.4Very high97.5Very high73 Ų7368.9 Ų68.939%0.3937%0.365SS..EExtended strand (participates in β ladder)trans-134166.7176.9-75.6-26.9000110.6N95 V148 V149 V151N95-D136 PolarHBondContact ND2-OD1 2.65Å; D136-V148 WeakPolarHBondContact O-CA 3.43Å; D136-V149 PolarHBondContact N-O 3.32Å; D136-V149 PolarHBondContact O-N 2.93Å; D136-V151 HydrophobicContact CB-CG1 3.99Å; D136-V151 HydrophobicContact CB-CG2 4.32Å
137N98.4Very high97.6Very high126 Ų12668.7 Ų68.767%0.67436%0.363SS*.EExtended strand (participates in β ladder)trans-59.1138.1168.1-69.7-36.1000110.5P147N137-P147 WeakPolarHBondContact CA-O 3.22Å
138R97.9Very high97.6Very high94 Ų9470 Ų7036%0.35537%0.368SS..PPolyproline II helixtrans-57.5148.7179.873.2167.6-178.386.90.6112.3D142 S143 Y146 P147 V149R138-D142 HydrophobicContact CB-CB 3.96Å; R138-S143 WeakPolarHBondContact CD-O 3.26Å; R138-Y146 WeakPolarHBondContact CB-O 3.47Å; R138-Y146 VanDerWaalsContact CD-O 3.26Å; R138-Y146 WeakPolarHBondContact CD-O 3.42Å; R138-P147 PolarHBondContact N-O 3.34Å; R138-V149 HydrophobicContact CB-CG1 4.22Å; R138-V149 HydrophobicContact CB-CG2 4.15Å
139K97.6Very high97.7Very high100 Ų10065.4 Ų65.444%0.43534%0.341SS..PPolyproline II helixtrans-81.4161167.5-58.5-56.1-176.6-1710110.3T32 Q141 D142T32-K139 HydrophobicContact CG2-CB 3.82Å; T32-K139 HydrophobicContact CG2-CG 4.19Å; K139-Q141 PolarHBondContact O-N 3.39Å; K139-Q141 VanDerWaalsContact O-N 3.15Å; K139-D142 WeakPolarHBondContact CB-OD2 3.3Å; K139-D142 PolarHBondContact N-OD2 3.39Å; K139-D142 WeakPolarHBondContact O-CB 3.44Å; K139-D142 PolarHBondContact O-N 3.23Å
140P96.7Very high97.7Very high112 Ų11261.8 Ų61.873%0.72733%0.325SS*.THydrogen-bonded Turntrans-56.6-28.2177-28.136.6000114.4
141Q96.5Very high97.7Very high134 Ų13459.5 Ų59.563%0.62632%0.317SS*.THydrogen-bonded Turntrans-82.1-13.4179.6-57.481.11.600113.6T32 Q35 K139T32-Q141 HydrophobicContact CG2-CB 3.8Å; Q35-Q141 PolarHBondContact NE2-O 2.95Å; K139-Q141 PolarHBondContact O-N 3.39Å; K139-Q141 VanDerWaalsContact O-N 3.15Å
142D97Very high97.6Very high13 Ų1363.7 Ų63.77%0.0734%0.337CS..SBendtrans-77.4160.3174.7-65.8-42.9000110.7T32 R138 K139T32-D142 VanDerWaalsContact CB-OD1 3.29Å; T32-D142 WeakPolarHBondContact CB-OD1 3.22Å; T32-D142 WeakPolarHBondContact CG2-OD1 3.02Å; T32-D142 PolarHBondContact OG1-OD1 3.39Å; R138-D142 HydrophobicContact CB-CB 3.96Å; K139-D142 WeakPolarHBondContact CB-OD2 3.3Å; K139-D142 PolarHBondContact N-OD2 3.39Å; K139-D142 WeakPolarHBondContact O-CB 3.44Å; K139-D142 PolarHBondContact O-N 3.23Å
143S93.6Very high97.6Very high56 Ų5662 Ų6239%0.39233%0.332SS..  trans-54.9132.9175.6177.80000111.4R138 N145R138-S143 WeakPolarHBondContact CD-O 3.26Å; S143-N145 PolarHBondContact O-N 3.12Å; S143-N145 PolarHBondContact OG-N 2.86Å
144P95.6Very high97.6Very high93 Ų9362.3 Ų62.360%0.60433%0.334SS*.THydrogen-bonded Turntrans-67.9-13.9178.229-35.3000113.1Y146P144-Y146 PolarHBondContact O-N 3.42Å
145N96.8Very high97.5Very high123 Ų12362.4 Ų62.466%0.65834%0.335SS*.THydrogen-bonded Turntrans-67.8-22.1-177.5-64.5-10.2000113.5S143S143-N145 PolarHBondContact O-N 3.12Å; S143-N145 PolarHBondContact OG-N 2.86Å
146Y97.2Very high97.4Very high72 Ų7264 Ų6428%0.28234%0.343SS..  trans-12399.9-175.1-54.4-53.5000110.4F75 V79 R138 P144 V148F75-Y146 HydrophobicContact CD1-CD2 4.38Å; F75-Y146 HydrophobicContact CD1-CE2 4Å; F75-Y146 AromaticContact CE1-CD2 3.9Å; F75-Y146 HydrophobicContact CE1-CD2 3.9Å; F75-Y146 AromaticContact CE1-CE2 4Å; F75-Y146 HydrophobicContact CE1-CE2 4Å; V79-Y146 HydrophobicContact CB-CD1 4.49Å; V79-Y146 HydrophobicContact CG1-CD1 3.72Å; V79-Y146 HydrophobicContact CG1-CE1 4.31Å; V79-Y146 HydrophobicContact CG1-CG 3.98Å; V79-Y146 HydrophobicContact CG2-CD2 4.24Å; V79-Y146 HydrophobicContact CG2-CG 4.21Å; R138-Y146 WeakPolarHBondContact CB-O 3.47Å; R138-Y146 VanDerWaalsContact CD-O 3.26Å; R138-Y146 WeakPolarHBondContact CD-O 3.42Å; P144-Y146 PolarHBondContact O-N 3.42Å; Y146-V148 VanDerWaalsContact C-N 3.26Å; Y146-V148 PolarHBondContact O-N 2.98Å
147P97.5Very high97.3Very high92 Ų9265.7 Ų65.760%0.59735%0.347SS*.SBendtrans-66.6-29.4-177.725.8-33.5000113N137 R138N137-P147 WeakPolarHBondContact CA-O 3.22Å; R138-P147 PolarHBondContact N-O 3.34Å
148V98.4Very high97.3Very high53 Ų5362.7 Ų62.732%0.32133%0.331SS..EExtended strand (participates in β ladder)trans-122134.7175.6-178.80000108C82 C135 D136 Y146C82-V148 HydrophobicContact CB-CG1 3.92Å; C135-V148 HydrophobicContact CB-CG1 3.85Å; D136-V148 WeakPolarHBondContact O-CA 3.43Å; Y146-V148 VanDerWaalsContact C-N 3.26Å; Y146-V148 PolarHBondContact O-N 2.98Å
149V98.8Very high97.2Very high3 Ų361 Ų612%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-137.1150.5-170.6-69.50000111.9S34 C135 D136 R138S34-V149 WeakPolarHBondContact OG-CB 3.1Å; C135-V149 VanDerWaalsContact CA-O 3.25Å; C135-V149 WeakPolarHBondContact CA-O 3.45Å; D136-V149 PolarHBondContact N-O 3.32Å; D136-V149 PolarHBondContact O-N 2.93Å; R138-V149 HydrophobicContact CB-CG1 4.22Å; R138-V149 HydrophobicContact CB-CG2 4.15Å
150P98.6Very high97.2Very high0 Ų058.8 Ų58.80%032%0.323CS..EExtended strand (participates in β ladder)trans-68.713617529.5-35.9000110.8S34 F37 F75 V78 V79 I133S34-P150 VanDerWaalsContact CA-O 3.26Å; S34-P150 WeakPolarHBondContact CA-O 3.42Å; S34-P150 WeakPolarHBondContact CB-O 3.44Å; S34-P150 PolarHBondContact OG-O 3.47Å; F37-P150 HydrophobicContact CD1-CB 3.71Å; F37-P150 HydrophobicContact CD1-CG 3.64Å; F37-P150 HydrophobicContact CD2-CB 4.26Å; F37-P150 HydrophobicContact CE1-CB 3.64Å; F37-P150 HydrophobicContact CE1-CG 3.73Å; F37-P150 HydrophobicContact CE2-CB 4.16Å; F37-P150 HydrophobicContact CG-CB 4.05Å; F37-P150 HydrophobicContact CG-CG 4.35Å; F37-P150 HydrophobicContact CZ-CB 3.87Å; F37-P150 HydrophobicContact CZ-CG 4.45Å; F75-P150 HydrophobicContact CD2-CG 4.47Å; F75-P150 HydrophobicContact CE2-CG 3.62Å; F75-P150 HydrophobicContact CZ-CG 3.91Å; V78-P150 HydrophobicContact CG1-CB 3.98Å; V78-P150 HydrophobicContact CG1-CG 4.02Å; V79-P150 HydrophobicContact CG2-CG 4.41Å; I133-P150 HydrophobicContact CD1-CB 4.07Å
151V98Very high97.3Very high30 Ų3055.7 Ų55.718%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-125.2-15.9-179.6-62.50000113.5P33 A134 D136P33-V151 HydrophobicContact CB-CB 3.8Å; P33-V151 HydrophobicContact CB-CG1 3.8Å; A134-V151 HydrophobicContact CB-CG2 4.25Å; A134-V151 WeakPolarHBondContact O-CG2 3.45Å; A134-V151 PolarHBondContact O-N 2.98Å; D136-V151 HydrophobicContact CB-CG1 3.99Å; D136-V151 HydrophobicContact CB-CG2 4.32Å
152H97.9Very high97.3Very high94 Ų9450.8 Ų50.844%0.43528%0.279SS..EExtended strand (participates in β ladder)trans-153.6144.2-179.3-173.262.2000111.9I133 A134I133-H152 CarbonylContact C-O 3.35Å; I133-H152 WeakPolarHBondContact CA-O 3.47Å; I133-H152 WeakPolarHBondContact CB-O 3.39Å; A134-H152 HydrophobicContact CB-CB 3.9Å; A134-H152 PolarHBondContact N-O 3.26Å; A134-H152 PolarHBondContact O-N 2.91Å
153L98.1Very high97.3Very high22 Ų2253.3 Ų53.312%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-96.398.5168.5-179.165000108.7F37 T69 L71 Y131 I133 I156F37-L153 HydrophobicContact CE2-CB 3.99Å; T69-L153 HydrophobicContact CG2-CD2 4.29Å; L71-L153 HydrophobicContact CD1-CD1 4.38Å; Y131-L153 HydrophobicContact CD2-CD1 4.33Å; I133-L153 HydrophobicContact CG2-CD1 4.21Å; L153-I156 HydrophobicContact CD1-CD1 4.05Å; L153-I156 HydrophobicContact CD2-CD1 4.25Å; L153-I156 HydrophobicContact CG-CD1 4.49Å
154D98.1Very high97.6Very high8 Ų853.1 Ų53.14%0.04329%0.286CS..EExtended strand (participates in β ladder)trans-76.8-33.7-173.1-173.672.3000112.4R90 R132R90-D154 WeakPolarHBondContact CB-OD1 3.42Å; R90-D154 VanDerWaalsContact CD-O 3.31Å; R90-D154 WeakPolarHBondContact CD-O 3.44Å; R90-D154 PolarHBondContact N-OD1 3.09Å; R90-D154 PolarHBondContact N-OD2 3.35Å; R90-D154 VanDerWaalsContact N-OD2 3.15Å; R90-D154 PolarHBondContact NE-O 3.25Å; R90-D154 VanDerWaalsContact NE-O 3.14Å; R90-D154 PolarHBondContact NH1-O 2.85Å; R132-D154 HydrophobicContact CB-CB 4.39Å; R132-D154 WeakPolarHBondContact CD-OD2 3.33Å; R132-D154 HydrophobicContact CG-CB 4.04Å; R132-D154 IonicContact NH1-OD2 3.94Å; R132-D154 PolarHBondContact O-N 3.38Å
155G96.9Very high97.7Very high8 Ų850.1 Ų50.18%0.08226%0.262CS..EExtended strand (participates in β ladder)trans-172.1164.1179.400000115.9Y131 R132Y131-G155 CarbonylContact C-O 3.43Å; Y131-G155 VanDerWaalsContact CA-O 3.32Å; Y131-G155 WeakPolarHBondContact CA-O 3.14Å; R132-G155 PolarHBondContact N-O 3.27Å; R132-G155 PolarHBondContact O-N 3.35Å
156I98.2Very high97.8Very high37 Ų3744 Ų4419%0.1923%0.229CC..EExtended strand (participates in β ladder)trans-125.3137172.7-55.4-61000107.6T69 L71 L105 Y107 K129 F130 L153T69-I156 HydrophobicContact CG2-CD1 4.23Å; T69-I156 HydrophobicContact CG2-CG1 4.33Å; L71-I156 HydrophobicContact CD2-CD1 4.23Å; L105-I156 HydrophobicContact CD2-CD1 3.74Å; L105-I156 HydrophobicContact CD2-CG1 4.32Å; L105-I156 HydrophobicContact CD2-CG2 3.83Å; Y107-I156 HydrophobicContact CE1-CG1 4.45Å; Y107-I156 WeakPolarHBondContact OH-CG2 3.36Å; K129-I156 HydrophobicContact CB-CG2 3.41Å; K129-I156 VanDerWaalsContact CB-CG2 3.41Å; K129-I156 HydrophobicContact CG-CG2 3.75Å; F130-I156 WeakPolarHBondContact O-CA 3.47Å; L153-I156 HydrophobicContact CD1-CD1 4.05Å; L153-I156 HydrophobicContact CD2-CD1 4.25Å; L153-I156 HydrophobicContact CG-CD1 4.49Å
157F96.3Very high97.9Very high109 Ų10941.5 Ų41.548%0.47822%0.224SC..  trans-144.40-179.849.9-80.9000112.4N98 K129 F130 R132N98-F157 HydrophobicContact CB-CZ 4.14Å; K129-F157 WeakPolarHBondContact CD-OXT 3.49Å; K129-F157 PolarHBondContact NZ-OXT 3.45Å; F130-F157 HydrophobicContact CB-CD2 3.75Å; F130-F157 HydrophobicContact CB-CE1 4.3Å; F130-F157 HydrophobicContact CB-CE2 3.48Å; F130-F157 VanDerWaalsContact CB-CE2 3.48Å; F130-F157 HydrophobicContact CB-CG 4.27Å; F130-F157 HydrophobicContact CB-CZ 3.77Å; F130-F157 WeakPolarHBondContact CB-O 3.34Å; F130-F157 HydrophobicContact CG-CD2 4.45Å; F130-F157 HydrophobicContact CG-CE2 4.12Å; F130-F157 PolarHBondContact N-O 3.13Å; F130-F157 PolarHBondContact O-N 3.11Å; R132-F157 HydrophobicContact CB-CE1 4.1Å

Retrieved 157 of 157 residues in 139.6 ms (Link to these results)

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