A0A087WV50_HUMAN Loading...

SUMO specific peptidase 3

AlphaFold DB , UniProt , Accession A0A087WV50, Species HUMAN (Homo sapiens, Human), Gene SENP3, Length 177 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1F92.8Very high95.6Very high47 Ų4770.7 Ų70.721%0.20635%0.345CS..  0-68.40173.7-103.3000111.8D3 K4 L5 V13 W16 I30 I67 Y70 V173F1-D3 PolarHBondContact O-N 3.3Å; F1-K4 PolarHBondContact O-N 3.41Å; F1-K4 VanDerWaalsContact O-N 3.11Å; F1-L5 HydrophobicContact CE1-CD2 3.96Å; F1-L5 HydrophobicContact CZ-CD2 3.98Å; F1-L5 PolarHBondContact O-N 2.79Å; F1-V13 HydrophobicContact CD2-CB 4.11Å; F1-V13 HydrophobicContact CD2-CG1 3.99Å; F1-V13 HydrophobicContact CE2-CB 3.8Å; F1-V13 HydrophobicContact CE2-CG1 4.06Å; F1-V13 HydrophobicContact CE2-CG2 3.88Å; F1-W16 HydrophobicContact CB-CE3 3.83Å; F1-W16 HydrophobicContact CB-CH2 4.47Å; F1-W16 HydrophobicContact CB-CZ3 3.51Å; F1-W16 HydrophobicContact CD2-CD2 4.36Å; F1-W16 AromaticContact CD2-CE3 3.67Å; F1-W16 HydrophobicContact CD2-CE3 3.67Å; F1-W16 HydrophobicContact CD2-CZ3 4.21Å; F1-W16 HydrophobicContact CG-CE3 4.24Å; F1-W16 HydrophobicContact CG-CZ3 4.37Å; F1-W16 VanDerWaalsContact N-CZ3 3.26Å; F1-I30 HydrophobicContact CD1-CG2 3.62Å; F1-I30 HydrophobicContact CE1-CD1 4.47Å; F1-I30 HydrophobicContact CE1-CG2 3.98Å; F1-I67 HydrophobicContact CE1-CD1 4.13Å; F1-Y70 HydrophobicContact CE2-CD2 4.23Å; F1-Y70 AromaticContact CE2-CE2 3.79Å; F1-Y70 HydrophobicContact CE2-CE2 3.79Å; F1-Y70 AromaticContact CE2-CZ 3.96Å; F1-Y70 HydrophobicContact CZ-CD1 4Å; F1-Y70 AromaticContact CZ-CD2 3.82Å; F1-Y70 HydrophobicContact CZ-CD2 3.82Å; F1-Y70 AromaticContact CZ-CE1 3.91Å; F1-Y70 HydrophobicContact CZ-CE1 3.91Å; F1-Y70 AromaticContact CZ-CE2 3.72Å; F1-Y70 HydrophobicContact CZ-CE2 3.72Å; F1-Y70 AromaticContact CZ-CG 3.96Å; F1-Y70 HydrophobicContact CZ-CG 3.96Å; F1-Y70 AromaticContact CZ-CZ 3.77Å; F1-V173 HydrophobicContact CB-CG2 4.17Å
2Y95.3Very high95.7Very high5 Ų567.3 Ų67.32%0.0234%0.342CS..Hα-helixtrans-59.8-39.3-168.8-178.9-105.7000114.4K4 L5 R6 I32 L34 C63 H66 I67Y2-K4 PolarHBondContact O-N 2.71Å; Y2-L5 HydrophobicContact CD2-CD2 4.46Å; Y2-L5 WeakPolarHBondContact O-CB 3.39Å; Y2-L5 PolarHBondContact O-N 2.97Å; Y2-R6 WeakPolarHBondContact O-CB 3.47Å; Y2-R6 PolarHBondContact O-N 2.85Å; Y2-I32 HydrophobicContact CD1-CD1 4.08Å; Y2-I32 HydrophobicContact CD1-CG2 3.66Å; Y2-I32 HydrophobicContact CD2-CD1 3.77Å; Y2-I32 HydrophobicContact CE1-CG2 3.92Å; Y2-I32 HydrophobicContact CE2-CD1 4.44Å; Y2-I32 HydrophobicContact CG-CD1 3.56Å; Y2-I32 HydrophobicContact CG-CG2 4.27Å; Y2-L34 HydrophobicContact CD1-CD2 4.39Å; Y2-L34 HydrophobicContact CE1-CD1 4.4Å; Y2-L34 HydrophobicContact CE1-CD2 4.12Å; Y2-C63 HydrophobicContact CE2-CB 4.29Å; Y2-C63 VanDerWaalsContact CE2-SG 3.6Å; Y2-C63 VanDerWaalsContact OH-CA 3.27Å; Y2-C63 WeakPolarHBondContact OH-CA 3.42Å; Y2-C63 WeakPolarHBondContact OH-CB 3.49Å; Y2-H66 HydrophobicContact CE2-CB 3.96Å; Y2-H66 AromaticContact CE2-ND1 3.97Å; Y2-H66 AromaticContact CZ-ND1 3.75Å; Y2-H66 PolarHBondContact OH-ND1 3.18Å; Y2-I67 HydrophobicContact CD2-CD1 3.99Å; Y2-I67 HydrophobicContact CE2-CD1 4.35Å
3D93.4Very high95.8Very high72 Ų7262.2 Ų62.239%0.38532%0.316SS..Hα-helixtrans-61.9-41.7177.6-175.860.4000112.6F1 R6 T7F1-D3 PolarHBondContact O-N 3.3Å; D3-R6 PolarHBondContact O-N 3.38Å; D3-R6 IonicContact OD1-CZ 3.63Å; D3-R6 IonicContact OD1-NE 3.11Å; D3-R6 IonicContact OD1-NH2 2.79Å; D3-R6 PolarHBondContact OD1-NH2 2.79Å; D3-T7 WeakPolarHBondContact O-CB 3.44Å; D3-T7 WeakPolarHBondContact O-CG2 3.14Å; D3-T7 PolarHBondContact O-N 3.48Å; D3-T7 PolarHBondContact O-OG1 3.39Å
4K95.8Very high95.7Very high107 Ų10763.7 Ų63.747%0.46532%0.319SS..Hα-helixtrans-64.5-42.3172.7-72.1-64.2-173-175.30112.1F1 Y2 R6 T7 K8 V13 W16F1-K4 PolarHBondContact O-N 3.41Å; F1-K4 VanDerWaalsContact O-N 3.11Å; Y2-K4 PolarHBondContact O-N 2.71Å; K4-R6 VanDerWaalsContact C-N 3.32Å; K4-R6 PolarHBondContact O-N 2.93Å; K4-T7 PolarHBondContact O-N 2.99Å; K4-T7 PolarHBondContact O-OG1 3.44Å; K4-K8 WeakPolarHBondContact O-CA 3.43Å; K4-K8 WeakPolarHBondContact O-CB 3.5Å; K4-K8 PolarHBondContact O-N 3.11Å; K4-V13 HydrophobicContact CB-CG1 3.82Å; K4-W16 HydrophobicContact CG-CZ2 4.24Å
5L96.3Very high95.6Very high12 Ų1273.3 Ų73.36%0.06335%0.35CS..Hα-helixtrans-59.9-42.8175.2174.663.9000111.5F1 Y2 G9 V13 I67 Y70F1-L5 HydrophobicContact CE1-CD2 3.96Å; F1-L5 HydrophobicContact CZ-CD2 3.98Å; F1-L5 PolarHBondContact O-N 2.79Å; Y2-L5 HydrophobicContact CD2-CD2 4.46Å; Y2-L5 WeakPolarHBondContact O-CB 3.39Å; Y2-L5 PolarHBondContact O-N 2.97Å; L5-G9 WeakPolarHBondContact O-CA 3.48Å; L5-G9 PolarHBondContact O-N 3.32Å; L5-V13 HydrophobicContact CB-CG1 4.14Å; L5-V13 HydrophobicContact CB-CG2 4.33Å; L5-V13 HydrophobicContact CD1-CG2 3.87Å; L5-I67 HydrophobicContact CD2-CD1 4.04Å; L5-Y70 HydrophobicContact CD1-CD2 4.17Å; L5-Y70 HydrophobicContact CD1-CG 4.47Å; L5-Y70 HydrophobicContact CD2-CG 4.24Å
6R94.6Very high95.7Very high132 Ų13275 Ų7550%0.49835%0.352SS..Hα-helixtrans-66-42.2179.3177.7-177.268.4130.2-3.8112.4Y2 D3 K4Y2-R6 WeakPolarHBondContact O-CB 3.47Å; Y2-R6 PolarHBondContact O-N 2.85Å; D3-R6 PolarHBondContact O-N 3.38Å; D3-R6 IonicContact OD1-CZ 3.63Å; D3-R6 IonicContact OD1-NE 3.11Å; D3-R6 IonicContact OD1-NH2 2.79Å; D3-R6 PolarHBondContact OD1-NH2 2.79Å; K4-R6 VanDerWaalsContact C-N 3.32Å; K4-R6 PolarHBondContact O-N 2.93Å
7T95.3Very high95.6Very high74 Ų7470.7 Ų70.745%0.45433%0.332SS..Hα-helixtrans-90.2-29-171.453.90000113.8D3 K4D3-T7 WeakPolarHBondContact O-CB 3.44Å; D3-T7 WeakPolarHBondContact O-CG2 3.14Å; D3-T7 PolarHBondContact O-N 3.48Å; D3-T7 PolarHBondContact O-OG1 3.39Å; K4-T7 PolarHBondContact O-N 2.99Å; K4-T7 PolarHBondContact O-OG1 3.44Å
8K96.8Very high95.3Very high140 Ų14075.2 Ų75.261%0.60935%0.35SS*.Hα-helixtrans-121.92.8-175.6-59.8-63.2-176.4-178.30113.6K4K4-K8 WeakPolarHBondContact O-CA 3.43Å; K4-K8 WeakPolarHBondContact O-CB 3.5Å; K4-K8 PolarHBondContact O-N 3.11Å
9G96.8Very high95Very high30 Ų3079.1 Ų79.131%0.30937%0.374SS..THydrogen-bonded Turntrans64.8-162-178.400000113L5 D11 G12L5-G9 WeakPolarHBondContact O-CA 3.48Å; L5-G9 PolarHBondContact O-N 3.32Å; G9-D11 VanDerWaalsContact C-N 3.31Å; G9-D11 PolarHBondContact O-N 3.21Å; G9-G12 PolarHBondContact O-N 3.44Å
10Y97.6Very high94.8Very high46 Ų4677.7 Ų77.718%0.1837%0.37CS..G310 helixtrans-60.8-38.6-179.7179.1-110000112.5G12 V13 K14 Y70 A73 E74 K77Y10-G12 PolarHBondContact O-N 2.82Å; Y10-V13 CarbonylContact O-C 3.51Å; Y10-V13 WeakPolarHBondContact O-CG2 3.37Å; Y10-V13 PolarHBondContact O-N 2.95Å; Y10-K14 HydrophobicContact CD1-CB 4.04Å; Y10-K14 HydrophobicContact CE1-CB 3.59Å; Y10-K14 HydrophobicContact CE1-CD 4.43Å; Y10-K14 HydrophobicContact CE2-CB 4.12Å; Y10-K14 HydrophobicContact CG-CB 4.5Å; Y10-K14 WeakPolarHBondContact O-CB 3.47Å; Y10-K14 PolarHBondContact O-N 2.86Å; Y10-Y70 AromaticContact CD2-CD2 3.88Å; Y10-Y70 HydrophobicContact CD2-CD2 3.88Å; Y10-Y70 HydrophobicContact CD2-CE2 4.24Å; Y10-Y70 HydrophobicContact CE2-CD2 4.18Å; Y10-Y70 HydrophobicContact CE2-CE2 4.13Å; Y10-A73 HydrophobicContact CD1-CB 3.82Å; Y10-A73 HydrophobicContact CD2-CB 3.54Å; Y10-A73 HydrophobicContact CE1-CB 4.08Å; Y10-A73 HydrophobicContact CE2-CB 3.84Å; Y10-A73 HydrophobicContact CG-CB 3.52Å; Y10-E74 HydrophobicContact CE2-CB 4.15Å; Y10-E74 WeakPolarHBondContact CE2-OE2 3.32Å; Y10-E74 PolarHBondContact OH-OE2 2.85Å; Y10-K77 HydrophobicContact CE1-CB 4.49Å; Y10-K77 WeakPolarHBondContact OH-CB 3.48Å; Y10-K77 WeakPolarHBondContact OH-CG 3.39Å
11D97.4Very high94.7Very high113 Ų11376 Ų7660%0.60436%0.364SS*.G310 helixtrans-59-32.1179.9-76.4-46.4000113.6G9 V13 K14G9-D11 VanDerWaalsContact C-N 3.31Å; G9-D11 PolarHBondContact O-N 3.21Å; D11-V13 VanDerWaalsContact C-N 3.25Å; D11-V13 PolarHBondContact O-N 3.02Å; D11-K14 WeakPolarHBondContact OD1-CE 3.05Å; D11-K14 IonicContact OD1-NZ 2.71Å; D11-K14 PolarHBondContact OD1-NZ 3.43Å
12G96.9Very high94.9Very high30 Ų3073.9 Ų73.931%0.30935%0.354SS..G310 helixtrans-70.4-17.1176.100000114.7G9 Y10G9-G12 PolarHBondContact O-N 3.44Å; Y10-G12 PolarHBondContact O-N 2.82Å
13V96.9Very high95Very high0 Ų074 Ų740%036%0.355CS..THydrogen-bonded Turntrans-127.3-10.2-174.2-60.90000114.7F1 K4 L5 Y10 D11 R15 W16 Y70F1-V13 HydrophobicContact CD2-CB 4.11Å; F1-V13 HydrophobicContact CD2-CG1 3.99Å; F1-V13 HydrophobicContact CE2-CB 3.8Å; F1-V13 HydrophobicContact CE2-CG1 4.06Å; F1-V13 HydrophobicContact CE2-CG2 3.88Å; K4-V13 HydrophobicContact CB-CG1 3.82Å; L5-V13 HydrophobicContact CB-CG1 4.14Å; L5-V13 HydrophobicContact CB-CG2 4.33Å; L5-V13 HydrophobicContact CD1-CG2 3.87Å; Y10-V13 CarbonylContact O-C 3.51Å; Y10-V13 WeakPolarHBondContact O-CG2 3.37Å; Y10-V13 PolarHBondContact O-N 2.95Å; D11-V13 VanDerWaalsContact C-N 3.25Å; D11-V13 PolarHBondContact O-N 3.02Å; V13-R15 PolarHBondContact O-N 3.01Å; V13-W16 HydrophobicContact CB-CG 4.35Å; V13-W16 HydrophobicContact CG1-CD2 4.48Å; V13-W16 VanDerWaalsContact O-CB 3.24Å; V13-W16 WeakPolarHBondContact O-CB 3.26Å; V13-W16 PolarHBondContact O-N 3.41Å; V13-Y70 HydrophobicContact CG2-CD2 3.88Å; V13-Y70 HydrophobicContact CG2-CE2 3.89Å
14K94.4Very high95.1Very high84 Ų8475 Ų7537%0.36536%0.361SS..THydrogen-bonded Turntrans-55.3-20.5-175.768.7-178.1171.7-166.40115.9Y10 D11Y10-K14 HydrophobicContact CD1-CB 4.04Å; Y10-K14 HydrophobicContact CE1-CB 3.59Å; Y10-K14 HydrophobicContact CE1-CD 4.43Å; Y10-K14 HydrophobicContact CE2-CB 4.12Å; Y10-K14 HydrophobicContact CG-CB 4.5Å; Y10-K14 WeakPolarHBondContact O-CB 3.47Å; Y10-K14 PolarHBondContact O-N 2.86Å; D11-K14 WeakPolarHBondContact OD1-CE 3.05Å; D11-K14 IonicContact OD1-NZ 2.71Å; D11-K14 PolarHBondContact OD1-NZ 3.43Å
15R94Very high95.1Very high208 Ų20872.3 Ų72.379%0.78535%0.349SS*.THydrogen-bonded Turntrans-86.2-17.2177.4-67.8-175.2177.6178.90.8113.2V13 T17 K18V13-R15 PolarHBondContact O-N 3.01Å; R15-T17 PolarHBondContact O-N 3.23Å; R15-K18 WeakPolarHBondContact O-CB 3.2Å; R15-K18 PolarHBondContact O-N 2.91Å; R15-K18 VanDerWaalsContact O-N 3.12Å
16W96.4Very high95Very high100 Ų10074.7 Ų74.738%0.37936%0.36SS..THydrogen-bonded Turntrans-67.9-25.9-171.8-67.632000112F1 K4 V13 V173F1-W16 HydrophobicContact CB-CE3 3.83Å; F1-W16 HydrophobicContact CB-CH2 4.47Å; F1-W16 HydrophobicContact CB-CZ3 3.51Å; F1-W16 HydrophobicContact CD2-CD2 4.36Å; F1-W16 AromaticContact CD2-CE3 3.67Å; F1-W16 HydrophobicContact CD2-CE3 3.67Å; F1-W16 HydrophobicContact CD2-CZ3 4.21Å; F1-W16 HydrophobicContact CG-CE3 4.24Å; F1-W16 HydrophobicContact CG-CZ3 4.37Å; F1-W16 VanDerWaalsContact N-CZ3 3.26Å; K4-W16 HydrophobicContact CG-CZ2 4.24Å; V13-W16 HydrophobicContact CB-CG 4.35Å; V13-W16 HydrophobicContact CG1-CD2 4.48Å; V13-W16 VanDerWaalsContact O-CB 3.24Å; V13-W16 WeakPolarHBondContact O-CB 3.26Å; V13-W16 PolarHBondContact O-N 3.41Å; W16-V173 HydrophobicContact CD2-CG1 4.13Å; W16-V173 HydrophobicContact CE3-CB 4.04Å; W16-V173 HydrophobicContact CE3-CG1 3.17Å; W16-V173 HydrophobicContact CE3-CG2 4.05Å; W16-V173 HydrophobicContact CH2-CG1 4.33Å; W16-V173 HydrophobicContact CZ3-CB 4.01Å; W16-V173 HydrophobicContact CZ3-CG1 3.26Å; W16-V173 HydrophobicContact CZ3-CG2 4.37Å
17T94.3Very high95.1Very high2 Ų270.2 Ų70.21%0.01235%0.345CS..THydrogen-bonded Turntrans-113.119.3176.945.40000111.9R15 N19 V20 I22 Y70 E74 K78 L171R15-T17 PolarHBondContact O-N 3.23Å; T17-N19 PolarHBondContact O-N 3.18Å; T17-V20 PolarHBondContact O-N 2.98Å; T17-I22 HydrophobicContact CG2-CG2 3.59Å; T17-Y70 WeakPolarHBondContact CG2-OH 3.35Å; T17-E74 WeakPolarHBondContact CB-OE1 3.19Å; T17-E74 VanDerWaalsContact OG1-CD 3.23Å; T17-E74 PolarHBondContact OG1-OE1 2.8Å; T17-E74 PolarHBondContact OG1-OE2 3.31Å; T17-K78 PolarHBondContact O-NZ 3.1Å; T17-L171 HydrophobicContact CG2-CD2 4.22Å
18K90.3Very high95.2Very high151 Ų15167 Ų6766%0.65733%0.326SS*.THydrogen-bonded Turntrans-47.9-45.3-174.6-177.1-173.1173.1-174.10112.8R15 K78R15-K18 WeakPolarHBondContact O-CB 3.2Å; R15-K18 PolarHBondContact O-N 2.91Å; R15-K18 VanDerWaalsContact O-N 3.12Å; K18-K78 PolarHBondContact O-NZ 3.45Å
19N90.8Very high95.3Very high149 Ų14960.6 Ų60.680%0.79730%0.298SS*.THydrogen-bonded Turntrans-103.412.6-176-57.4-23.1000113.4T17T17-N19 PolarHBondContact O-N 3.18Å
20V91.1Very high95.3Very high51 Ų5159.9 Ų59.931%0.30929%0.286SS..  trans-126.5122.5-178.8-178.40000108.9T17 I22 K78T17-V20 PolarHBondContact O-N 2.98Å; V20-I22 HydrophobicContact CG1-CG2 4.27Å; V20-I22 PolarHBondContact O-N 3.33Å; V20-K78 PolarHBondContact O-NZ 3.39Å
21D92.7Very high95.3Very high43 Ų4360.4 Ų60.423%0.2330%0.296CS..  trans-83.8104.9164.7-175-4.5000108.9F23 N24 R80D21-F23 PolarHBondContact O-N 2.94Å; D21-F23 WeakPolarHBondContact OD1-CB 3.34Å; D21-F23 WeakPolarHBondContact OD1-CD2 3.45Å; D21-F23 PolarHBondContact OD1-N 2.96Å; D21-N24 PolarHBondContact O-N 3.36Å; D21-N24 PolarHBondContact OD2-ND2 3.13Å; D21-R80 IonicContact OD1-NH1 2.72Å; D21-R80 IonicContact OD2-CZ 3.68Å; D21-R80 IonicContact OD2-NH1 3.77Å; D21-R80 PolarHBondContact OD2-NH1 3.47Å
22I96Very high95.3Very high2 Ų255 Ų551%0.0127%0.267CS..G310 helixtrans-70.9-20.2179.862.8170.1000112.6T17 V20 N24 K25 L28 Y70 L71 E74T17-I22 HydrophobicContact CG2-CG2 3.59Å; V20-I22 HydrophobicContact CG1-CG2 4.27Å; V20-I22 PolarHBondContact O-N 3.33Å; I22-N24 VanDerWaalsContact C-N 3.26Å; I22-N24 PolarHBondContact O-N 3.17Å; I22-K25 WeakPolarHBondContact O-CB 3.42Å; I22-K25 PolarHBondContact O-N 3.16Å; I22-L28 HydrophobicContact CB-CD1 4.24Å; I22-L28 HydrophobicContact CB-CD2 4.17Å; I22-L28 HydrophobicContact CD1-CD1 4.16Å; I22-Y70 HydrophobicContact CD1-CE1 3.76Å; I22-L71 HydrophobicContact CD1-CD2 3.89Å; I22-E74 HydrophobicContact CD1-CB 4.37Å; I22-E74 HydrophobicContact CD1-CG 3.78Å; I22-E74 HydrophobicContact CG1-CG 4.09Å
23F97.5Very high95.2Very high8 Ų857.4 Ų57.44%0.03527%0.27CS..G310 helixtrans-78.4-12.8179.7-57.3-70.9000112.8D21 K25 L71 E74 A75 K78 R80 F83 W87D21-F23 PolarHBondContact O-N 2.94Å; D21-F23 WeakPolarHBondContact OD1-CB 3.34Å; D21-F23 WeakPolarHBondContact OD1-CD2 3.45Å; D21-F23 PolarHBondContact OD1-N 2.96Å; F23-K25 VanDerWaalsContact C-N 3.27Å; F23-L71 HydrophobicContact CE1-CD2 4.23Å; F23-L71 WeakPolarHBondContact CZ-O 3.34Å; F23-E74 HydrophobicContact CE2-CB 4.22Å; F23-E74 HydrophobicContact CE2-CG 3.99Å; F23-E74 HydrophobicContact CZ-CB 4.1Å; F23-E74 HydrophobicContact CZ-CG 4.29Å; F23-A75 HydrophobicContact CE1-CB 4.36Å; F23-A75 HydrophobicContact CE2-CB 4.09Å; F23-A75 HydrophobicContact CZ-CB 3.68Å; F23-K78 HydrophobicContact CE2-CB 4.48Å; F23-R80 HydrophobicContact CB-CG 4.41Å; F23-R80 HydrophobicContact CD2-CB 3.68Å; F23-R80 HydrophobicContact CD2-CG 3.76Å; F23-R80 HydrophobicContact CE2-CB 4.1Å; F23-R80 HydrophobicContact CE2-CG 4.48Å; F23-R80 HydrophobicContact CG-CB 4.19Å; F23-R80 HydrophobicContact CG-CG 4.37Å; F23-F83 HydrophobicContact CB-CD2 3.73Å; F23-F83 HydrophobicContact CB-CE2 3.85Å; F23-F83 HydrophobicContact CB-CG 4.22Å; F23-F83 HydrophobicContact CB-CZ 4.4Å; F23-F83 HydrophobicContact CD1-CB 3.44Å; F23-F83 VanDerWaalsContact CD1-CB 3.44Å; F23-F83 AromaticContact CD1-CD1 3.8Å; F23-F83 HydrophobicContact CD1-CD1 3.8Å; F23-F83 AromaticContact CD1-CD2 3.74Å; F23-F83 HydrophobicContact CD1-CD2 3.74Å; F23-F83 HydrophobicContact CD1-CE2 4.47Å; F23-F83 AromaticContact CD1-CG 3.35Å; F23-F83 HydrophobicContact CD1-CG 3.35Å; F23-F83 HydrophobicContact CE1-CB 3.48Å; F23-F83 VanDerWaalsContact CE1-CB 3.48Å; F23-F83 HydrophobicContact CE1-CD1 4.44Å; F23-F83 AromaticContact CE1-CG 3.94Å; F23-F83 HydrophobicContact CE1-CG 3.94Å; F23-F83 HydrophobicContact CG-CB 4.18Å; F23-F83 AromaticContact CG-CD2 3.84Å; F23-F83 HydrophobicContact CG-CD2 3.84Å; F23-F83 HydrophobicContact CG-CE2 4.44Å; F23-F83 AromaticContact CG-CG 3.96Å; F23-F83 HydrophobicContact CG-CG 3.96Å; F23-F83 HydrophobicContact CZ-CB 4.25Å; F23-W87 HydrophobicContact CD1-CZ2 4.49Å; F23-W87 HydrophobicContact CE1-CZ2 4.1Å
24N95.7Very high94.9Very high94 Ų9459.5 Ų59.550%0.50328%0.281SS..G310 helixtrans-84.90.5169.8-68.5-22.5000113.2D21 I22 R80D21-N24 PolarHBondContact O-N 3.36Å; D21-N24 PolarHBondContact OD2-ND2 3.13Å; I22-N24 VanDerWaalsContact C-N 3.26Å; I22-N24 PolarHBondContact O-N 3.17Å; N24-R80 PolarHBondContact OD1-NH1 3.41Å
25K94.8Very high94.7Very high50 Ų5064.3 Ų64.322%0.21730%0.304CS..  trans-94153.1175.7-50.9-55.3179.9176.30109.8I22 F23 L28 V45 S169I22-K25 WeakPolarHBondContact O-CB 3.42Å; I22-K25 PolarHBondContact O-N 3.16Å; F23-K25 VanDerWaalsContact C-N 3.27Å; K25-L28 HydrophobicContact CB-CD2 3.84Å; K25-L28 HydrophobicContact CG-CD2 4.1Å; K25-V45 WeakPolarHBondContact O-CB 3.43Å; K25-V45 VanDerWaalsContact O-CG2 3.28Å; K25-V45 WeakPolarHBondContact O-CG2 3.42Å; K25-S169 WeakPolarHBondContact CE-OG 3.41Å; K25-S169 PolarHBondContact NZ-OG 2.78Å
26E94.8Very high94.7Very high62 Ų6260.3 Ų60.329%0.2930%0.303SS..SBendtrans-84.6-40175.6-59.9176.7178.100111.6V45 R46E26-V45 PolarHBondContact O-N 2.62Å; E26-R46 IonicContact OE1-CZ 3.51Å; E26-R46 IonicContact OE1-NH2 3.41Å; E26-R46 PolarHBondContact OE1-NH2 3.27Å; E26-R46 IonicContact OE2-NH2 2.64Å
27L96.8Very high94.6Very high38 Ų3856.7 Ų56.720%0.19929%0.29CS..EExtended strand (participates in β ladder)trans-133.8128.9-172.3178.366.7000109.1L29 V43 L115L27-L29 HydrophobicContact CD1-CD2 4.15Å; L27-L29 HydrophobicContact CD2-CD1 4.32Å; L27-L29 HydrophobicContact CD2-CD2 4.07Å; L27-L29 HydrophobicContact CD2-CG 4.14Å; L27-L29 HydrophobicContact CG-CD2 4.11Å; L27-L29 HydrophobicContact CG-CG 4.15Å; L27-V43 CarbonylContact C-O 3.57Å; L27-V43 WeakPolarHBondContact CA-O 3.5Å; L27-L115 HydrophobicContact CD2-CB 4.13Å
28L97.9Very high94.7Very high7 Ų761.2 Ų61.24%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-108.3136.3164.7-45.8174.5000108.6I22 K25 S42 V43 V45 L71I22-L28 HydrophobicContact CB-CD1 4.24Å; I22-L28 HydrophobicContact CB-CD2 4.17Å; I22-L28 HydrophobicContact CD1-CD1 4.16Å; K25-L28 HydrophobicContact CB-CD2 3.84Å; K25-L28 HydrophobicContact CG-CD2 4.1Å; L28-S42 CarbonylContact O-C 3.58Å; L28-S42 VanDerWaalsContact O-CA 3.32Å; L28-S42 WeakPolarHBondContact O-CA 3.46Å; L28-V43 HydrophobicContact CB-CB 3.95Å; L28-V43 HydrophobicContact CB-CG2 4.3Å; L28-V43 HydrophobicContact CD1-CB 4.18Å; L28-V43 HydrophobicContact CD1-CG1 4.39Å; L28-V43 HydrophobicContact CD1-CG2 4.48Å; L28-V43 HydrophobicContact CG-CB 4.22Å; L28-V43 PolarHBondContact N-O 3.05Å; L28-V43 PolarHBondContact O-N 3.48Å; L28-V45 HydrophobicContact CD1-CG2 4.24Å; L28-V45 HydrophobicContact CG-CG2 3.99Å; L28-L71 HydrophobicContact CD1-CD2 4.24Å
29L97.8Very high95Very high4 Ų454.1 Ų54.12%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-117.3118.8174.9-64.2174.6000107.6L27 L40 C112 L115 V170L27-L29 HydrophobicContact CD1-CD2 4.15Å; L27-L29 HydrophobicContact CD2-CD1 4.32Å; L27-L29 HydrophobicContact CD2-CD2 4.07Å; L27-L29 HydrophobicContact CD2-CG 4.14Å; L27-L29 HydrophobicContact CG-CD2 4.11Å; L27-L29 HydrophobicContact CG-CG 4.15Å; L29-L40 HydrophobicContact CB-CD1 4.37Å; L29-L40 HydrophobicContact CD2-CD2 4.38Å; L29-C112 HydrophobicContact CD1-CB 3.9Å; L29-L115 HydrophobicContact CD2-CB 4.18Å; L29-L115 HydrophobicContact CD2-CD1 3.8Å; L29-V170 HydrophobicContact CD1-CG1 4.36Å; L29-V170 HydrophobicContact CD1-CG2 4.18Å
30I98Very high95.4Very high15 Ų1547 Ų478%0.07724%0.239CC..EExtended strand (participates in β ladder)trans-123.596-172.5-52174.2000107.9F1 I32 I41 V43 I67F1-I30 HydrophobicContact CD1-CG2 3.62Å; F1-I30 HydrophobicContact CE1-CD1 4.47Å; F1-I30 HydrophobicContact CE1-CG2 3.98Å; I30-I32 HydrophobicContact CG2-CD1 3.96Å; I30-I32 PolarHBondContact O-N 3.21Å; I30-I41 HydrophobicContact CB-CB 4.17Å; I30-I41 HydrophobicContact CB-CG2 4.48Å; I30-I41 HydrophobicContact CD1-CG2 4.29Å; I30-I41 PolarHBondContact N-O 2.99Å; I30-I41 PolarHBondContact O-N 2.84Å; I30-V43 HydrophobicContact CD1-CG2 4.19Å; I30-I67 HydrophobicContact CD1-CD1 4.02Å; I30-I67 HydrophobicContact CD1-CG2 4.16Å; I30-I67 HydrophobicContact CG2-CD1 4.44Å
31P97.3Very high95.7Very high57 Ų5744.6 Ų44.637%0.3722%0.224SC..EExtended strand (participates in β ladder)trans-59134.7171.5-23.434.3000110.6W38P31-W38 HydrophobicContact CB-CE3 4.17Å; P31-W38 HydrophobicContact CB-CZ3 3.86Å
32I96.6Very high96Very high0 Ų043 Ų430%022%0.216CC..EExtended strand (participates in β ladder)trans-114117.6180-52.8-58.6000107Y2 I30 L34 W38 S39 I41Y2-I32 HydrophobicContact CD1-CD1 4.08Å; Y2-I32 HydrophobicContact CD1-CG2 3.66Å; Y2-I32 HydrophobicContact CD2-CD1 3.77Å; Y2-I32 HydrophobicContact CE1-CG2 3.92Å; Y2-I32 HydrophobicContact CE2-CD1 4.44Å; Y2-I32 HydrophobicContact CG-CD1 3.56Å; Y2-I32 HydrophobicContact CG-CG2 4.27Å; I30-I32 HydrophobicContact CG2-CD1 3.96Å; I30-I32 PolarHBondContact O-N 3.21Å; I32-L34 HydrophobicContact CG2-CD1 4.13Å; I32-L34 HydrophobicContact CG2-CG 4.08Å; I32-W38 WeakPolarHBondContact O-CA 3.02Å; I32-S39 WeakPolarHBondContact CB-OG 3.34Å; I32-S39 PolarHBondContact N-O 2.87Å; I32-S39 PolarHBondContact O-N 3.07Å; I32-I41 HydrophobicContact CD1-CB 4.47Å; I32-I41 HydrophobicContact CD1-CG1 4.02Å; I32-I41 HydrophobicContact CG1-CG1 3.96Å
33H94.6Very high96.1Very high81 Ų8142.9 Ų42.938%0.37522%0.215SC..EExtended strand (participates in β ladder)trans-110122.1172.5-171.9-123.9000108.8E35 W38H33-E35 PolarHBondContact CE1-O 3.49Å; H33-E35 PolarHBondContact NE2-O 3.45Å; H33-W38 HydrophobicContact CB-CD2 4.14Å; H33-W38 HydrophobicContact CB-CE3 3.89Å; H33-W38 HydrophobicContact CB-CH2 3.69Å; H33-W38 HydrophobicContact CB-CZ2 3.92Å; H33-W38 HydrophobicContact CB-CZ3 3.67Å; H33-W38 AromaticContact CD2-CD1 3.76Å; H33-W38 AromaticContact CD2-CD2 3.65Å; H33-W38 AromaticContact CD2-CE2 3.22Å; H33-W38 AromaticContact CD2-CG 3.99Å; H33-W38 AromaticContact CD2-CZ2 3.56Å; H33-W38 AromaticContact CD2-NE1 3.28Å; H33-W38 PolarHBondContact CD2-NE1 3.12Å; H33-W38 VanDerWaalsContact CD2-NE1 3.28Å; H33-W38 AromaticContact CG-CE2 3.8Å; H33-W38 AromaticContact CG-CH2 3.99Å; H33-W38 AromaticContact CG-CZ2 3.69Å; H33-W38 AromaticContact NE2-CE2 3.9Å; H33-W38 AromaticContact NE2-NE1 3.61Å
34L91.6Very high96.1Very high43 Ų4344.7 Ų44.723%0.22523%0.225CC..EExtended strand (participates in β ladder)trans-134117.9175-69.2174.2000108.4Y2 I32 V36 H37 N60Y2-L34 HydrophobicContact CD1-CD2 4.39Å; Y2-L34 HydrophobicContact CE1-CD1 4.4Å; Y2-L34 HydrophobicContact CE1-CD2 4.12Å; I32-L34 HydrophobicContact CG2-CD1 4.13Å; I32-L34 HydrophobicContact CG2-CG 4.08Å; L34-V36 PolarHBondContact O-N 3.36Å; L34-H37 PolarHBondContact N-O 3.29Å; L34-H37 PolarHBondContact O-N 2.95Å; L34-N60 WeakPolarHBondContact CD1-ND2 3.48Å
35E90.4Very high96.1Very high185 Ų18540.3 Ų40.386%0.86420%0.202SC*.THydrogen-bonded Turntrans54.4-104.3-176.5-61.9171.1-169.200111.3H33H33-E35 PolarHBondContact CE1-O 3.49Å; H33-E35 PolarHBondContact NE2-O 3.45Å
36V92.6Very high96.1Very high125 Ų12546.1 Ų46.176%0.75822%0.222SC*.THydrogen-bonded Turntrans-108.61.4-179.2-610000113.2L34L34-V36 PolarHBondContact O-N 3.36Å
37H95.1Very high96.2Very high23 Ų2352.3 Ų52.311%0.10624%0.243CC..EExtended strand (participates in β ladder)trans-112.9136.6-171.1-174.242.5000112.9L34 D54 Q56 C104L34-H37 PolarHBondContact N-O 3.29Å; L34-H37 PolarHBondContact O-N 2.95Å; H37-D54 IonicContact CD2-OD1 2.79Å; H37-D54 IonicContact CD2-OD2 3.22Å; H37-D54 IonicContact CE1-OD1 3.8Å; H37-D54 PolarHBondContact CE1-OD1 3.2Å; H37-D54 VanDerWaalsContact NE2-CG 3.28Å; H37-D54 IonicContact NE2-OD1 3.58Å; H37-D54 PolarHBondContact NE2-OD1 2.82Å; H37-D54 IonicContact NE2-OD2 3.38Å; H37-D54 PolarHBondContact NE2-OD2 2.98Å; H37-Q56 PolarHBondContact CE1-NE2 2.9Å; H37-Q56 PolarHBondContact ND1-NE2 2.91Å; H37-Q56 VanDerWaalsContact ND1-NE2 3.12Å; H37-C104 VanDerWaalsContact ND1-CB 3.34Å; H37-C104 WeakPolarHBondContact ND1-CB 3.42Å
38W96.9Very high96.3Very high98 Ų9854.2 Ų54.237%0.37125%0.248SC..EExtended strand (participates in β ladder)trans-105129172.7-73.292.3000111.2P31 I32 H33 C104 V108P31-W38 HydrophobicContact CB-CE3 4.17Å; P31-W38 HydrophobicContact CB-CZ3 3.86Å; I32-W38 WeakPolarHBondContact O-CA 3.02Å; H33-W38 HydrophobicContact CB-CD2 4.14Å; H33-W38 HydrophobicContact CB-CE3 3.89Å; H33-W38 HydrophobicContact CB-CH2 3.69Å; H33-W38 HydrophobicContact CB-CZ2 3.92Å; H33-W38 HydrophobicContact CB-CZ3 3.67Å; H33-W38 AromaticContact CD2-CD1 3.76Å; H33-W38 AromaticContact CD2-CD2 3.65Å; H33-W38 AromaticContact CD2-CE2 3.22Å; H33-W38 AromaticContact CD2-CG 3.99Å; H33-W38 AromaticContact CD2-CZ2 3.56Å; H33-W38 AromaticContact CD2-NE1 3.28Å; H33-W38 PolarHBondContact CD2-NE1 3.12Å; H33-W38 VanDerWaalsContact CD2-NE1 3.28Å; H33-W38 AromaticContact CG-CE2 3.8Å; H33-W38 AromaticContact CG-CH2 3.99Å; H33-W38 AromaticContact CG-CZ2 3.69Å; H33-W38 AromaticContact NE2-CE2 3.9Å; H33-W38 AromaticContact NE2-NE1 3.61Å; W38-C104 HydrophobicContact CB-CB 4.22Å; W38-V108 HydrophobicContact CB-CG2 4.03Å
39S97Very high96.3Very high2 Ų255 Ų551%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-134179.8170.762.80000110.7I32 Y52 F53I32-S39 WeakPolarHBondContact CB-OG 3.34Å; I32-S39 PolarHBondContact N-O 2.87Å; I32-S39 PolarHBondContact O-N 3.07Å; S39-Y52 VanDerWaalsContact CB-OH 3.25Å; S39-Y52 WeakPolarHBondContact CB-OH 3.23Å; S39-Y52 VanDerWaalsContact OG-CE2 3.25Å; S39-Y52 WeakPolarHBondContact OG-CE2 3.47Å; S39-Y52 PolarHBondContact OG-OH 3.27Å; S39-F53 WeakPolarHBondContact CB-O 3.24Å
40L97.9Very high96.4Very high0 Ų054.9 Ų54.90%025%0.252CS..EExtended strand (participates in β ladder)trans-135137.1-174.7179.166.9000111.6L29 Y52 F53 V108 L115L29-L40 HydrophobicContact CB-CD1 4.37Å; L29-L40 HydrophobicContact CD2-CD2 4.38Å; L40-Y52 WeakPolarHBondContact O-CA 3.22Å; L40-F53 HydrophobicContact CB-CB 4.29Å; L40-F53 HydrophobicContact CD2-CD2 4.38Å; L40-F53 HydrophobicContact CG-CD2 4.42Å; L40-F53 PolarHBondContact N-O 3.05Å; L40-F53 PolarHBondContact O-N 3.43Å; L40-V108 HydrophobicContact CB-CG1 4.34Å; L40-V108 HydrophobicContact CB-CG2 4.35Å; L40-V108 HydrophobicContact CD1-CG1 4.48Å; L40-L115 HydrophobicContact CD2-CD1 3.96Å
41I98.3Very high96.4Very high0 Ų055.2 Ų55.20%026%0.255CS..EExtended strand (participates in β ladder)trans-102.2131.2158.2-71.1-77.1000108.6I30 I32 V43 I50 T51 Y52 C63 P64 I67I30-I41 HydrophobicContact CB-CB 4.17Å; I30-I41 HydrophobicContact CB-CG2 4.48Å; I30-I41 HydrophobicContact CD1-CG2 4.29Å; I30-I41 PolarHBondContact N-O 2.99Å; I30-I41 PolarHBondContact O-N 2.84Å; I32-I41 HydrophobicContact CD1-CB 4.47Å; I32-I41 HydrophobicContact CD1-CG1 4.02Å; I32-I41 HydrophobicContact CG1-CG1 3.96Å; I41-V43 HydrophobicContact CG2-CG2 3.93Å; I41-I50 HydrophobicContact CD1-CG2 3.95Å; I41-I50 HydrophobicContact CG2-CG2 3.77Å; I41-T51 CarbonylContact C-O 3.59Å; I41-T51 WeakPolarHBondContact CA-O 3.4Å; I41-Y52 HydrophobicContact CD1-CD2 3.74Å; I41-Y52 HydrophobicContact CD1-CG 4.29Å; I41-Y52 HydrophobicContact CG1-CD2 4.16Å; I41-C63 VanDerWaalsContact CG1-SG 3.53Å; I41-P64 HydrophobicContact CD1-CG 4.13Å; I41-I67 HydrophobicContact CG1-CG1 4.24Å; I41-I67 HydrophobicContact CG2-CG1 4.24Å; I41-I67 HydrophobicContact CG2-CG2 4.31Å
42S98.3Very high96.4Very high9 Ų952.6 Ų52.66%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-104.2143.6158.783.10000110.4L28 I50 T51 F53L28-S42 CarbonylContact O-C 3.58Å; L28-S42 VanDerWaalsContact O-CA 3.32Å; L28-S42 WeakPolarHBondContact O-CA 3.46Å; S42-I50 CarbonylContact O-C 3.55Å; S42-I50 WeakPolarHBondContact O-CA 3.04Å; S42-T51 PolarHBondContact N-O 3.17Å; S42-T51 PolarHBondContact O-N 2.92Å; S42-F53 WeakPolarHBondContact OG-CE2 3.36Å
43V98.5Very high96.4Very high0 Ų053 Ų530%024%0.24CC..EExtended strand (participates in β ladder)trans-119.7114.3171.1-174.40000108.2L27 L28 I30 I41 V45 T49 I50 I67 L71 W87L27-V43 CarbonylContact C-O 3.57Å; L27-V43 WeakPolarHBondContact CA-O 3.5Å; L28-V43 HydrophobicContact CB-CB 3.95Å; L28-V43 HydrophobicContact CB-CG2 4.3Å; L28-V43 HydrophobicContact CD1-CB 4.18Å; L28-V43 HydrophobicContact CD1-CG1 4.39Å; L28-V43 HydrophobicContact CD1-CG2 4.48Å; L28-V43 HydrophobicContact CG-CB 4.22Å; L28-V43 PolarHBondContact N-O 3.05Å; L28-V43 PolarHBondContact O-N 3.48Å; I30-V43 HydrophobicContact CD1-CG2 4.19Å; I41-V43 HydrophobicContact CG2-CG2 3.93Å; V43-V45 HydrophobicContact CG1-CG2 4.33Å; V43-V45 PolarHBondContact O-N 3.02Å; V43-T49 CarbonylContact C-O 3.59Å; V43-T49 VanDerWaalsContact CA-O 3.29Å; V43-T49 WeakPolarHBondContact CA-O 3.18Å; V43-I50 HydrophobicContact CG1-CG1 4.49Å; V43-I50 HydrophobicContact CG2-CG1 4.41Å; V43-I67 HydrophobicContact CG2-CG2 4Å; V43-L71 HydrophobicContact CG1-CD1 3.99Å; V43-L71 HydrophobicContact CG2-CD1 4.45Å; V43-W87 HydrophobicContact CG1-CE3 4.18Å; V43-W87 HydrophobicContact CG1-CH2 3.93Å; V43-W87 HydrophobicContact CG1-CZ3 3.34Å
44D97.8Very high96.5Very high45 Ų4549.3 Ų49.324%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-84.2105.9163.3-176.2-37.2000107R46 R47 R48 T49D44-R46 PolarHBondContact OD1-N 2.77Å; D44-R47 HydrophobicContact CB-CB 4.26Å; D44-R47 WeakPolarHBondContact OD1-CB 3.21Å; D44-R47 WeakPolarHBondContact OD1-CG 3.44Å; D44-R47 PolarHBondContact OD1-N 2.96Å; D44-R47 WeakPolarHBondContact OD2-CD 3.27Å; D44-R47 WeakPolarHBondContact OD2-CG 3.43Å; D44-R48 WeakPolarHBondContact O-CA 3.44Å; D44-R48 PolarHBondContact O-N 2.97Å; D44-T49 WeakPolarHBondContact CB-OG1 3.42Å; D44-T49 PolarHBondContact N-O 3.26Å; D44-T49 PolarHBondContact O-N 3.25Å
45V95.8Very high96.7Very high2 Ų247.3 Ų47.31%0.01221%0.212CC..THydrogen-bonded Turntrans-67.8-43.9-172175.90000110.3K25 E26 L28 V43 R47 R48 F83 W87K25-V45 WeakPolarHBondContact O-CB 3.43Å; K25-V45 VanDerWaalsContact O-CG2 3.28Å; K25-V45 WeakPolarHBondContact O-CG2 3.42Å; E26-V45 PolarHBondContact O-N 2.62Å; L28-V45 HydrophobicContact CD1-CG2 4.24Å; L28-V45 HydrophobicContact CG-CG2 3.99Å; V43-V45 HydrophobicContact CG1-CG2 4.33Å; V43-V45 PolarHBondContact O-N 3.02Å; V45-R47 PolarHBondContact O-N 3.36Å; V45-R48 PolarHBondContact O-N 3.41Å; V45-F83 HydrophobicContact CG1-CD1 4.14Å; V45-F83 HydrophobicContact CG1-CE1 3.52Å; V45-F83 HydrophobicContact CG1-CZ 3.98Å; V45-F83 WeakPolarHBondContact O-CE1 3.35Å; V45-W87 HydrophobicContact CG1-CH2 4.46Å
46R94.8Very high96.9Very high172 Ų17242.1 Ų42.165%0.64919%0.188SC*.THydrogen-bonded Turntrans-65.1-43.8-177.3-56.8-170-157.5174.34111.3E26 D44 R48E26-R46 IonicContact OE1-CZ 3.51Å; E26-R46 IonicContact OE1-NH2 3.41Å; E26-R46 PolarHBondContact OE1-NH2 3.27Å; E26-R46 IonicContact OE2-NH2 2.64Å; D44-R46 PolarHBondContact OD1-N 2.77Å; R46-R48 VanDerWaalsContact C-N 3.28Å
47R97.4Very high96.8Very high192 Ų19241.2 Ų41.273%0.72517%0.171SC*.THydrogen-bonded Turntrans-83.7-5.6179.8-57.7-178.878.6-171.54.6113.1D44 V45 T49D44-R47 HydrophobicContact CB-CB 4.26Å; D44-R47 WeakPolarHBondContact OD1-CB 3.21Å; D44-R47 WeakPolarHBondContact OD1-CG 3.44Å; D44-R47 PolarHBondContact OD1-N 2.96Å; D44-R47 WeakPolarHBondContact OD2-CD 3.27Å; D44-R47 WeakPolarHBondContact OD2-CG 3.43Å; V45-R47 PolarHBondContact O-N 3.36Å; R47-T49 VanDerWaalsContact C-N 3.26Å; R47-T49 HydrophobicContact CB-CG2 3.92Å; R47-T49 WeakPolarHBondContact O-CG2 3.32Å; R47-T49 PolarHBondContact O-N 3.1Å
48R98.1Very high96.5Very high78 Ų7842.7 Ų42.729%0.29418%0.181SC..THydrogen-bonded Turntrans53.242.1-175.8-53.6179.8-166.5-167.6-0.7112.6D44 V45 R46 D82 Q85 W87 K88D44-R48 WeakPolarHBondContact O-CA 3.44Å; D44-R48 PolarHBondContact O-N 2.97Å; V45-R48 PolarHBondContact O-N 3.41Å; R46-R48 VanDerWaalsContact C-N 3.28Å; R48-D82 PolarHBondContact NH1-O 2.82Å; R48-D82 PolarHBondContact NH2-O 2.72Å; R48-Q85 WeakPolarHBondContact CD-O 3.16Å; R48-Q85 PolarHBondContact NH1-O 2.84Å; R48-W87 VanDerWaalsContact C-CE3 3.47Å; R48-W87 VanDerWaalsContact CA-CE3 3.45Å; R48-W87 VanDerWaalsContact CA-CZ3 3.43Å; R48-W87 HydrophobicContact CB-CD2 4.09Å; R48-W87 HydrophobicContact CB-CE3 3.77Å; R48-W87 HydrophobicContact CB-CZ3 4.03Å; R48-W87 HydrophobicContact CG-CE3 4.5Å; R48-W87 HydrophobicContact CG-CH2 4.5Å; R48-W87 HydrophobicContact CG-CZ3 4.43Å; R48-W87 CarbonylContact O-C 3.58Å; R48-W87 VanDerWaalsContact O-CA 3.32Å; R48-W87 WeakPolarHBondContact O-CA 3.4Å; R48-K88 PolarHBondContact O-N 2.93Å
49T98.4Very high96.2Very high23 Ų2342.5 Ų42.514%0.14119%0.188CC..EExtended strand (participates in β ladder)trans-109.4138.2179.971.50000111.2V43 D44 R47 K88 Y90V43-T49 CarbonylContact C-O 3.59Å; V43-T49 VanDerWaalsContact CA-O 3.29Å; V43-T49 WeakPolarHBondContact CA-O 3.18Å; D44-T49 WeakPolarHBondContact CB-OG1 3.42Å; D44-T49 PolarHBondContact N-O 3.26Å; D44-T49 PolarHBondContact O-N 3.25Å; R47-T49 VanDerWaalsContact C-N 3.26Å; R47-T49 HydrophobicContact CB-CG2 3.92Å; R47-T49 WeakPolarHBondContact O-CG2 3.32Å; R47-T49 PolarHBondContact O-N 3.1Å; T49-K88 CarbonylContact C-O 3.57Å; T49-K88 WeakPolarHBondContact CA-O 3.39Å; T49-Y90 HydrophobicContact CG2-CD2 4.41Å; T49-Y90 HydrophobicContact CG2-CE2 3.73Å
50I98.6Very high96Very high2 Ų244 Ų441%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-117.6110.7177.7-57.5169.7000106.5I41 S42 V43 P64 I67 A68 L71 W87 K88 G89 Y90I41-I50 HydrophobicContact CD1-CG2 3.95Å; I41-I50 HydrophobicContact CG2-CG2 3.77Å; S42-I50 CarbonylContact O-C 3.55Å; S42-I50 WeakPolarHBondContact O-CA 3.04Å; V43-I50 HydrophobicContact CG1-CG1 4.49Å; V43-I50 HydrophobicContact CG2-CG1 4.41Å; I50-P64 HydrophobicContact CG2-CB 3.96Å; I50-I67 HydrophobicContact CD1-CB 4.42Å; I50-I67 HydrophobicContact CD1-CG2 4.13Å; I50-I67 HydrophobicContact CG1-CG2 4.46Å; I50-I67 HydrophobicContact CG2-CB 4.26Å; I50-I67 HydrophobicContact CG2-CG2 4.14Å; I50-A68 HydrophobicContact CD1-CB 3.75Å; I50-L71 HydrophobicContact CD1-CD1 3.95Å; I50-L71 HydrophobicContact CG1-CD1 4.25Å; I50-W87 HydrophobicContact CD1-CB 4.06Å; I50-W87 HydrophobicContact CD1-CE3 4.3Å; I50-W87 HydrophobicContact CG1-CE3 4.05Å; I50-K88 PolarHBondContact N-O 3Å; I50-G89 CarbonylContact O-C 3.57Å; I50-G89 WeakPolarHBondContact O-CA 3.08Å; I50-Y90 PolarHBondContact O-N 2.82Å
51T97.9Very high95.7Very high22 Ų2252.6 Ų52.614%0.13523%0.228CC..EExtended strand (participates in β ladder)trans-112.7125.3-176.1-53.40000110.5I41 S42 F53 Y90 K92I41-T51 CarbonylContact C-O 3.59Å; I41-T51 WeakPolarHBondContact CA-O 3.4Å; S42-T51 PolarHBondContact N-O 3.17Å; S42-T51 PolarHBondContact O-N 2.92Å; T51-F53 HydrophobicContact CG2-CD2 4.25Å; T51-F53 HydrophobicContact CG2-CE1 4.04Å; T51-F53 HydrophobicContact CG2-CE2 3.54Å; T51-F53 HydrophobicContact CG2-CZ 3.42Å; T51-F53 VanDerWaalsContact CG2-CZ 3.42Å; T51-F53 WeakPolarHBondContact O-CD2 3.37Å; T51-F53 WeakPolarHBondContact O-CE2 3.32Å; T51-Y90 WeakPolarHBondContact CA-O 3.39Å; T51-K92 HydrophobicContact CG2-CB 3.82Å
52Y97.9Very high95.6Very high3 Ų361.4 Ų61.41%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-92.7131.4173.7-175-99.3000110.7S39 L40 I41 D54 N60 C63 Y90 F91 K92S39-Y52 VanDerWaalsContact CB-OH 3.25Å; S39-Y52 WeakPolarHBondContact CB-OH 3.23Å; S39-Y52 VanDerWaalsContact OG-CE2 3.25Å; S39-Y52 WeakPolarHBondContact OG-CE2 3.47Å; S39-Y52 PolarHBondContact OG-OH 3.27Å; L40-Y52 WeakPolarHBondContact O-CA 3.22Å; I41-Y52 HydrophobicContact CD1-CD2 3.74Å; I41-Y52 HydrophobicContact CD1-CG 4.29Å; I41-Y52 HydrophobicContact CG1-CD2 4.16Å; Y52-D54 HydrophobicContact CD1-CB 4.19Å; Y52-D54 HydrophobicContact CE1-CB 3.49Å; Y52-D54 VanDerWaalsContact CE1-CB 3.49Å; Y52-D54 PolarHBondContact OH-OD2 3.06Å; Y52-N60 HydrophobicContact CE1-CB 4.42Å; Y52-N60 HydrophobicContact CE2-CB 4.19Å; Y52-C63 HydrophobicContact CD2-CB 4.41Å; Y52-C63 HydrophobicContact CE2-CB 4.43Å; Y52-Y90 PolarHBondContact N-O 3.14Å; Y52-F91 AromaticContact CD1-CD1 3.73Å; Y52-F91 HydrophobicContact CD1-CD1 3.73Å; Y52-F91 AromaticContact CD1-CE1 3.84Å; Y52-F91 HydrophobicContact CD1-CE1 3.84Å; Y52-F91 HydrophobicContact CG-CD1 4.22Å; Y52-F91 HydrophobicContact CG-CE1 4.11Å; Y52-K92 PolarHBondContact O-N 3.38Å
53F96.8Very high95.4Very high8 Ų861 Ų614%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-121.4133.9177.3-56-96.6000109.3S39 L40 S42 T51 K92 V95 Y111 L115 F121S39-F53 WeakPolarHBondContact CB-O 3.24Å; L40-F53 HydrophobicContact CB-CB 4.29Å; L40-F53 HydrophobicContact CD2-CD2 4.38Å; L40-F53 HydrophobicContact CG-CD2 4.42Å; L40-F53 PolarHBondContact N-O 3.05Å; L40-F53 PolarHBondContact O-N 3.43Å; S42-F53 WeakPolarHBondContact OG-CE2 3.36Å; T51-F53 HydrophobicContact CG2-CD2 4.25Å; T51-F53 HydrophobicContact CG2-CE1 4.04Å; T51-F53 HydrophobicContact CG2-CE2 3.54Å; T51-F53 HydrophobicContact CG2-CZ 3.42Å; T51-F53 VanDerWaalsContact CG2-CZ 3.42Å; T51-F53 WeakPolarHBondContact O-CD2 3.37Å; T51-F53 WeakPolarHBondContact O-CE2 3.32Å; F53-K92 HydrophobicContact CD1-CB 3.65Å; F53-K92 HydrophobicContact CD1-CG 4.04Å; F53-K92 HydrophobicContact CE1-CB 3.57Å; F53-K92 HydrophobicContact CE1-CG 3.74Å; F53-K92 HydrophobicContact CG-CB 4.48Å; F53-K92 HydrophobicContact CZ-CB 4.34Å; F53-V95 HydrophobicContact CD1-CG1 4.14Å; F53-Y111 HydrophobicContact CB-CD2 3.94Å; F53-Y111 HydrophobicContact CB-CE2 4.12Å; F53-L115 HydrophobicContact CE2-CD1 4.03Å; F53-L115 HydrophobicContact CZ-CD1 4.1Å; F53-L115 HydrophobicContact CZ-CD2 4.24Å; F53-F121 AromaticContact CD1-CE2 3.67Å; F53-F121 HydrophobicContact CD1-CE2 3.67Å; F53-F121 HydrophobicContact CD1-CZ 4.01Å; F53-F121 AromaticContact CE1-CE2 3.53Å; F53-F121 HydrophobicContact CE1-CE2 3.53Å; F53-F121 AromaticContact CE1-CZ 3.71Å; F53-F121 HydrophobicContact CE1-CZ 3.71Å; F53-F121 HydrophobicContact CZ-CZ 4.44Å
54D96.1Very high95.3Very high3 Ų361.4 Ų61.42%0.01626%0.261CS..  trans-149.8115.9-177.2-168.5-32.8000110.3H37 Y52 Q56 R57 T58H37-D54 IonicContact CD2-OD1 2.79Å; H37-D54 IonicContact CD2-OD2 3.22Å; H37-D54 IonicContact CE1-OD1 3.8Å; H37-D54 PolarHBondContact CE1-OD1 3.2Å; H37-D54 VanDerWaalsContact NE2-CG 3.28Å; H37-D54 IonicContact NE2-OD1 3.58Å; H37-D54 PolarHBondContact NE2-OD1 2.82Å; H37-D54 IonicContact NE2-OD2 3.38Å; H37-D54 PolarHBondContact NE2-OD2 2.98Å; Y52-D54 HydrophobicContact CD1-CB 4.19Å; Y52-D54 HydrophobicContact CE1-CB 3.49Å; Y52-D54 VanDerWaalsContact CE1-CB 3.49Å; Y52-D54 PolarHBondContact OH-OD2 3.06Å; D54-Q56 PolarHBondContact O-N 3.19Å; D54-Q56 WeakPolarHBondContact OD1-CA 3.37Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.25Å; D54-Q56 PolarHBondContact OD1-N 2.91Å; D54-R57 PolarHBondContact O-N 3.09Å; D54-R57 PolarHBondContact OD1-N 3.38Å; D54-T58 WeakPolarHBondContact OD2-CB 3.38Å; D54-T58 PolarHBondContact OD2-OG1 3.44Å
55S95.7Very high95.2Very high1 Ų166.2 Ų66.21%0.00728%0.279CS..THydrogen-bonded Turntrans-67.8-22.3179.3420000113R57 R97 Q98 Y111S55-R57 VanDerWaalsContact C-N 3.34Å; S55-R97 CarbonylContact O-C 3.5Å; S55-R97 VanDerWaalsContact O-CA 3.26Å; S55-R97 WeakPolarHBondContact O-CA 3.25Å; S55-R97 WeakPolarHBondContact O-CG 3.41Å; S55-Q98 VanDerWaalsContact CB-OE1 3.28Å; S55-Q98 PolarHBondContact O-N 2.91Å; S55-Q98 PolarHBondContact OG-OE1 2.83Å; S55-Y111 WeakPolarHBondContact CA-OH 3.48Å; S55-Y111 WeakPolarHBondContact CB-OH 3.39Å
56Q94.2Very high95.3Very high76 Ų7668.6 Ų68.636%0.35529%0.29SS..THydrogen-bonded Turntrans-88.8-3171.1-64-171.429.400112.8H37 D54 T58 Q98H37-Q56 PolarHBondContact CE1-NE2 2.9Å; H37-Q56 PolarHBondContact ND1-NE2 2.91Å; H37-Q56 VanDerWaalsContact ND1-NE2 3.12Å; D54-Q56 PolarHBondContact O-N 3.19Å; D54-Q56 WeakPolarHBondContact OD1-CA 3.37Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.25Å; D54-Q56 PolarHBondContact OD1-N 2.91Å; Q56-T58 HydrophobicContact CB-CG2 3.91Å; Q56-T58 PolarHBondContact O-N 2.85Å; Q56-Q98 HydrophobicContact CG-CG 3.68Å
57R90.8Very high95.5Very high106 Ų10660.4 Ų60.440%0.426%0.259SS..  trans5834.4-178.1-60.7-177.8178.9-174.6-0.9113.3D54 S55 M93 V95 R97D54-R57 PolarHBondContact O-N 3.09Å; D54-R57 PolarHBondContact OD1-N 3.38Å; S55-R57 VanDerWaalsContact C-N 3.34Å; R57-M93 HydrophobicContact CB-CE 3.76Å; R57-M93 HydrophobicContact CG-CE 4.42Å; R57-M93 PolarHBondContact NE-O 3.44Å; R57-M93 WeakPolarHBondContact O-CE 3.39Å; R57-V95 PolarHBondContact NH2-O 2.79Å; R57-R97 HydrophobicContact CG-CG 4.21Å
58T90.1Very high95.5Very high54 Ų5452 Ų5233%0.33123%0.232SC..  trans-75.8158.6170.487.80000110.8D54 Q56D54-T58 WeakPolarHBondContact OD2-CB 3.38Å; D54-T58 PolarHBondContact OD2-OG1 3.44Å; Q56-T58 HydrophobicContact CB-CG2 3.91Å; Q56-T58 PolarHBondContact O-N 2.85Å
59L90.2Very high95.5Very high95 Ų9555.2 Ų55.250%0.49725%0.248SC..  trans-114.2100.1179.3-69.6178.8000111.2R61 F91 M93L59-R61 PolarHBondContact O-N 2.75Å; L59-F91 HydrophobicContact CD2-CB 4.37Å; L59-F91 HydrophobicContact CD2-CD1 3.66Å; L59-F91 HydrophobicContact CD2-CE1 4.22Å; L59-F91 HydrophobicContact CD2-CG 4.01Å; L59-M93 HydrophobicContact CD2-CE 3.79Å; L59-M93 HydrophobicContact CD2-SD 3.7Å; L59-M93 HydrophobicContact CG-CE 4.34Å
60N91.6Very high95.6Very high33 Ų3354.4 Ų54.418%0.17624%0.242CC..  trans-96.282.4170.5-166.3-25.9000111.9L34 Y52 R62 C63 P64L34-N60 WeakPolarHBondContact CD1-ND2 3.48Å; Y52-N60 HydrophobicContact CE1-CB 4.42Å; Y52-N60 HydrophobicContact CE2-CB 4.19Å; N60-R62 PolarHBondContact O-N 3.01Å; N60-R62 VanDerWaalsContact O-N 3.14Å; N60-R62 PolarHBondContact OD1-N 3.19Å; N60-C63 HydrophobicContact CB-CB 4.09Å; N60-C63 PolarHBondContact O-N 3.16Å; N60-C63 PolarHBondContact OD1-N 2.89Å; N60-C63 VanDerWaalsContact OD1-N 3.1Å; N60-P64 WeakPolarHBondContact O-CD 3.35Å
61R93.3Very high95.6Very high181 Ų18154.4 Ų54.468%0.68324%0.242SC*.THydrogen-bonded Turntrans-62.5-18.8179.7-65.6-173.2-179.1-159.31114.7L59 F91L59-R61 PolarHBondContact O-N 2.75Å; R61-F91 HydrophobicContact CG-CZ 4.26Å
62R94.6Very high95.6Very high185 Ų18556.7 Ų56.770%0.69825%0.251SS*.THydrogen-bonded Turntrans-81.5-32178.4-61.7-177-178.4129-2.6111.6N60 K65 H66N60-R62 PolarHBondContact O-N 3.01Å; N60-R62 VanDerWaalsContact O-N 3.14Å; N60-R62 PolarHBondContact OD1-N 3.19Å; R62-K65 WeakPolarHBondContact O-CB 3.41Å; R62-K65 PolarHBondContact O-N 2.95Å; R62-K65 VanDerWaalsContact O-N 3.16Å; R62-H66 PolarHBondContact O-N 3.21Å
63C94.9Very high95.6Very high0 Ų058 Ų580%026%0.262CS..Hα-helixtrans-60.4-54.2-172.5-176.60000113.7Y2 I41 Y52 N60 K65 H66 I67Y2-C63 HydrophobicContact CE2-CB 4.29Å; Y2-C63 VanDerWaalsContact CE2-SG 3.6Å; Y2-C63 VanDerWaalsContact OH-CA 3.27Å; Y2-C63 WeakPolarHBondContact OH-CA 3.42Å; Y2-C63 WeakPolarHBondContact OH-CB 3.49Å; I41-C63 VanDerWaalsContact CG1-SG 3.53Å; Y52-C63 HydrophobicContact CD2-CB 4.41Å; Y52-C63 HydrophobicContact CE2-CB 4.43Å; N60-C63 HydrophobicContact CB-CB 4.09Å; N60-C63 PolarHBondContact O-N 3.16Å; N60-C63 PolarHBondContact OD1-N 2.89Å; N60-C63 VanDerWaalsContact OD1-N 3.1Å; C63-K65 PolarHBondContact O-N 2.79Å; C63-H66 PolarHBondContact O-N 3.43Å; C63-H66 VanDerWaalsContact O-N 3.13Å; C63-I67 WeakPolarHBondContact O-CG1 3.45Å; C63-I67 PolarHBondContact O-N 3.12Å
64P96.4Very high95.7Very high9 Ų957.7 Ų57.76%0.05826%0.261CS..Hα-helixtrans-58.1-33.7175.3-26.535.5000113.7I41 I50 N60 I67 A68 F91I41-P64 HydrophobicContact CD1-CG 4.13Å; I50-P64 HydrophobicContact CG2-CB 3.96Å; N60-P64 WeakPolarHBondContact O-CD 3.35Å; P64-I67 PolarHBondContact O-N 2.85Å; P64-A68 WeakPolarHBondContact O-CB 3.47Å; P64-A68 PolarHBondContact O-N 3.05Å; P64-F91 HydrophobicContact CG-CZ 4.03Å
65K96.6Very high95.8Very high145 Ų14557.5 Ų57.563%0.6326%0.26SS*.Hα-helixtrans-67.5-42177.2-63-176.3179.1-173.40112.1R62 C63 I67 A68 K69R62-K65 WeakPolarHBondContact O-CB 3.41Å; R62-K65 PolarHBondContact O-N 2.95Å; R62-K65 VanDerWaalsContact O-N 3.16Å; C63-K65 PolarHBondContact O-N 2.79Å; K65-I67 VanDerWaalsContact C-N 3.34Å; K65-A68 PolarHBondContact O-N 3.28Å; K65-K69 WeakPolarHBondContact O-CG 3.28Å; K65-K69 PolarHBondContact O-N 2.87Å
66H97.6Very high95.9Very high52 Ų5261.5 Ų61.524%0.24128%0.284CS..Hα-helixtrans-63.4-42.1175.1-64.6161.4000111.4Y2 R62 C63 K69 Y70Y2-H66 HydrophobicContact CE2-CB 3.96Å; Y2-H66 AromaticContact CE2-ND1 3.97Å; Y2-H66 AromaticContact CZ-ND1 3.75Å; Y2-H66 PolarHBondContact OH-ND1 3.18Å; R62-H66 PolarHBondContact O-N 3.21Å; C63-H66 PolarHBondContact O-N 3.43Å; C63-H66 VanDerWaalsContact O-N 3.13Å; H66-K69 PolarHBondContact O-N 2.79Å; H66-Y70 PolarHBondContact O-N 3.22Å
67I98.4Very high96Very high0 Ų064.8 Ų64.80%030%0.297CS..Hα-helixtrans-65-41.5176.7-60.1-57.5000111.2F1 Y2 L5 I30 I41 V43 I50 C63 P64 K65 K69 Y70 L71F1-I67 HydrophobicContact CE1-CD1 4.13Å; Y2-I67 HydrophobicContact CD2-CD1 3.99Å; Y2-I67 HydrophobicContact CE2-CD1 4.35Å; L5-I67 HydrophobicContact CD2-CD1 4.04Å; I30-I67 HydrophobicContact CD1-CD1 4.02Å; I30-I67 HydrophobicContact CD1-CG2 4.16Å; I30-I67 HydrophobicContact CG2-CD1 4.44Å; I41-I67 HydrophobicContact CG1-CG1 4.24Å; I41-I67 HydrophobicContact CG2-CG1 4.24Å; I41-I67 HydrophobicContact CG2-CG2 4.31Å; V43-I67 HydrophobicContact CG2-CG2 4Å; I50-I67 HydrophobicContact CD1-CB 4.42Å; I50-I67 HydrophobicContact CD1-CG2 4.13Å; I50-I67 HydrophobicContact CG1-CG2 4.46Å; I50-I67 HydrophobicContact CG2-CB 4.26Å; I50-I67 HydrophobicContact CG2-CG2 4.14Å; C63-I67 WeakPolarHBondContact O-CG1 3.45Å; C63-I67 PolarHBondContact O-N 3.12Å; P64-I67 PolarHBondContact O-N 2.85Å; K65-I67 VanDerWaalsContact C-N 3.34Å; I67-K69 PolarHBondContact O-N 3.45Å; I67-Y70 WeakPolarHBondContact O-CB 3.33Å; I67-Y70 PolarHBondContact O-N 3.44Å; I67-L71 HydrophobicContact CG2-CD1 3.98Å; I67-L71 HydrophobicContact CG2-CG 4.38Å; I67-L71 WeakPolarHBondContact O-CG 3.4Å; I67-L71 PolarHBondContact O-N 2.99Å
68A98.3Very high96.3Very high17 Ų1762.2 Ų62.214%0.1429%0.289CS..Hα-helixtrans-60.3-43.6175.100000112.4I50 P64 K65 Y70 L71 Q72 W87I50-A68 HydrophobicContact CD1-CB 3.75Å; P64-A68 WeakPolarHBondContact O-CB 3.47Å; P64-A68 PolarHBondContact O-N 3.05Å; K65-A68 PolarHBondContact O-N 3.28Å; A68-Y70 VanDerWaalsContact C-N 3.34Å; A68-Y70 PolarHBondContact O-N 2.91Å; A68-L71 PolarHBondContact O-N 2.98Å; A68-Q72 WeakPolarHBondContact O-CG 3.37Å; A68-Q72 PolarHBondContact O-N 2.84Å; A68-W87 HydrophobicContact CB-CB 4.24Å
69K98.2Very high96.6Very high145 Ų14565.9 Ų65.963%0.6331%0.307SS*.Hα-helixtrans-62.7-38.9174.7-73.6-176.4177-170.90112.5K65 H66 I67 Q72 A73K65-K69 WeakPolarHBondContact O-CG 3.28Å; K65-K69 PolarHBondContact O-N 2.87Å; H66-K69 PolarHBondContact O-N 2.79Å; I67-K69 PolarHBondContact O-N 3.45Å; K69-Q72 WeakPolarHBondContact O-CB 3.47Å; K69-Q72 PolarHBondContact O-N 3.22Å; K69-A73 PolarHBondContact O-N 3.44Å; K69-A73 VanDerWaalsContact O-N 3.07Å
70Y98.6Very high96.9Very high6 Ų663.7 Ų63.72%0.02429%0.292CS..Hα-helixtrans-61.9-47.8173.4165.5-98000111.5F1 L5 Y10 V13 T17 I22 H66 I67 A68 Q72 A73 E74F1-Y70 HydrophobicContact CE2-CD2 4.23Å; F1-Y70 AromaticContact CE2-CE2 3.79Å; F1-Y70 HydrophobicContact CE2-CE2 3.79Å; F1-Y70 AromaticContact CE2-CZ 3.96Å; F1-Y70 HydrophobicContact CZ-CD1 4Å; F1-Y70 AromaticContact CZ-CD2 3.82Å; F1-Y70 HydrophobicContact CZ-CD2 3.82Å; F1-Y70 AromaticContact CZ-CE1 3.91Å; F1-Y70 HydrophobicContact CZ-CE1 3.91Å; F1-Y70 AromaticContact CZ-CE2 3.72Å; F1-Y70 HydrophobicContact CZ-CE2 3.72Å; F1-Y70 AromaticContact CZ-CG 3.96Å; F1-Y70 HydrophobicContact CZ-CG 3.96Å; F1-Y70 AromaticContact CZ-CZ 3.77Å; L5-Y70 HydrophobicContact CD1-CD2 4.17Å; L5-Y70 HydrophobicContact CD1-CG 4.47Å; L5-Y70 HydrophobicContact CD2-CG 4.24Å; Y10-Y70 AromaticContact CD2-CD2 3.88Å; Y10-Y70 HydrophobicContact CD2-CD2 3.88Å; Y10-Y70 HydrophobicContact CD2-CE2 4.24Å; Y10-Y70 HydrophobicContact CE2-CD2 4.18Å; Y10-Y70 HydrophobicContact CE2-CE2 4.13Å; V13-Y70 HydrophobicContact CG2-CD2 3.88Å; V13-Y70 HydrophobicContact CG2-CE2 3.89Å; T17-Y70 WeakPolarHBondContact CG2-OH 3.35Å; I22-Y70 HydrophobicContact CD1-CE1 3.76Å; H66-Y70 PolarHBondContact O-N 3.22Å; I67-Y70 WeakPolarHBondContact O-CB 3.33Å; I67-Y70 PolarHBondContact O-N 3.44Å; A68-Y70 VanDerWaalsContact C-N 3.34Å; A68-Y70 PolarHBondContact O-N 2.91Å; Y70-Q72 VanDerWaalsContact C-N 3.32Å; Y70-Q72 PolarHBondContact O-N 3.43Å; Y70-A73 PolarHBondContact O-N 2.85Å; Y70-E74 WeakPolarHBondContact O-CB 3.44Å; Y70-E74 PolarHBondContact O-N 2.96Å
71L98.6Very high97.2Very high1 Ų167.1 Ų67.11%0.00531%0.31CS..Hα-helixtrans-62.4-38.6178.9-67.4166.1000111.8I22 F23 L28 V43 I50 I67 A68 A75 W87I22-L71 HydrophobicContact CD1-CD2 3.89Å; F23-L71 HydrophobicContact CE1-CD2 4.23Å; F23-L71 WeakPolarHBondContact CZ-O 3.34Å; L28-L71 HydrophobicContact CD1-CD2 4.24Å; V43-L71 HydrophobicContact CG1-CD1 3.99Å; V43-L71 HydrophobicContact CG2-CD1 4.45Å; I50-L71 HydrophobicContact CD1-CD1 3.95Å; I50-L71 HydrophobicContact CG1-CD1 4.25Å; I67-L71 HydrophobicContact CG2-CD1 3.98Å; I67-L71 HydrophobicContact CG2-CG 4.38Å; I67-L71 WeakPolarHBondContact O-CG 3.4Å; I67-L71 PolarHBondContact O-N 2.99Å; A68-L71 PolarHBondContact O-N 2.98Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 2.81Å; L71-W87 HydrophobicContact CB-CD2 4.41Å; L71-W87 HydrophobicContact CB-CZ2 4.08Å; L71-W87 HydrophobicContact CD1-CD2 3.68Å; L71-W87 HydrophobicContact CD1-CE3 3.66Å; L71-W87 HydrophobicContact CD1-CG 4.4Å; L71-W87 HydrophobicContact CD1-CH2 3.87Å; L71-W87 HydrophobicContact CD1-CZ2 3.88Å; L71-W87 HydrophobicContact CD1-CZ3 3.75Å; L71-W87 HydrophobicContact CD2-CH2 4.4Å; L71-W87 HydrophobicContact CD2-CZ2 4.31Å; L71-W87 HydrophobicContact CG-CZ2 4.31Å
72Q98.5Very high97.4Very high71 Ų7162.4 Ų62.433%0.33230%0.298SS..Hα-helixtrans-58.3-51.1171.9-83.1162.515.100112.5A68 K69 Y70 A75 V76 H84A68-Q72 WeakPolarHBondContact O-CG 3.37Å; A68-Q72 PolarHBondContact O-N 2.84Å; K69-Q72 WeakPolarHBondContact O-CB 3.47Å; K69-Q72 PolarHBondContact O-N 3.22Å; Y70-Q72 VanDerWaalsContact C-N 3.32Å; Y70-Q72 PolarHBondContact O-N 3.43Å; Q72-A75 WeakPolarHBondContact O-CB 3.32Å; Q72-A75 PolarHBondContact O-N 2.89Å; Q72-V76 PolarHBondContact O-N 2.77Å; Q72-H84 WeakPolarHBondContact CG-O 3.29Å
73A98.3Very high97.5Very high30 Ų3054.6 Ų54.625%0.24827%0.269CS..Hα-helixtrans-67.8-39.2-178.600000112.4Y10 K69 Y70 A75 V76 K77Y10-A73 HydrophobicContact CD1-CB 3.82Å; Y10-A73 HydrophobicContact CD2-CB 3.54Å; Y10-A73 HydrophobicContact CE1-CB 4.08Å; Y10-A73 HydrophobicContact CE2-CB 3.84Å; Y10-A73 HydrophobicContact CG-CB 3.52Å; K69-A73 PolarHBondContact O-N 3.44Å; K69-A73 VanDerWaalsContact O-N 3.07Å; Y70-A73 PolarHBondContact O-N 2.85Å; A73-A75 VanDerWaalsContact C-N 3.35Å; A73-V76 PolarHBondContact O-N 2.55Å; A73-K77 WeakPolarHBondContact O-CB 3.32Å; A73-K77 PolarHBondContact O-N 3.35Å
74E98.3Very high97.6Very high1 Ų157.7 Ų57.71%0.00528%0.283CS..Hα-helixtrans-65.7-38.7175.6-167.174.8-169.400111Y10 T17 I22 F23 Y70 V76 K77 K78Y10-E74 HydrophobicContact CE2-CB 4.15Å; Y10-E74 WeakPolarHBondContact CE2-OE2 3.32Å; Y10-E74 PolarHBondContact OH-OE2 2.85Å; T17-E74 WeakPolarHBondContact CB-OE1 3.19Å; T17-E74 VanDerWaalsContact OG1-CD 3.23Å; T17-E74 PolarHBondContact OG1-OE1 2.8Å; T17-E74 PolarHBondContact OG1-OE2 3.31Å; I22-E74 HydrophobicContact CD1-CB 4.37Å; I22-E74 HydrophobicContact CD1-CG 3.78Å; I22-E74 HydrophobicContact CG1-CG 4.09Å; F23-E74 HydrophobicContact CE2-CB 4.22Å; F23-E74 HydrophobicContact CE2-CG 3.99Å; F23-E74 HydrophobicContact CZ-CB 4.1Å; F23-E74 HydrophobicContact CZ-CG 4.29Å; Y70-E74 WeakPolarHBondContact O-CB 3.44Å; Y70-E74 PolarHBondContact O-N 2.96Å; E74-V76 PolarHBondContact O-N 2.88Å; E74-K77 PolarHBondContact O-N 3.34Å; E74-K78 HydrophobicContact CG-CG 4.14Å; E74-K78 WeakPolarHBondContact O-CB 3.47Å; E74-K78 VanDerWaalsContact O-CG 3.26Å; E74-K78 WeakPolarHBondContact O-CG 3.43Å; E74-K78 PolarHBondContact O-N 3.23Å; E74-K78 WeakPolarHBondContact OE1-CE 3.26Å
75A98.4Very high97.7Very high0 Ų063.7 Ų63.70%031%0.311CS..Hα-helixtrans-59.2-46.217600000111.6F23 L71 Q72 A73 K78 D79 R80 F83F23-A75 HydrophobicContact CE1-CB 4.36Å; F23-A75 HydrophobicContact CE2-CB 4.09Å; F23-A75 HydrophobicContact CZ-CB 3.68Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 2.81Å; Q72-A75 WeakPolarHBondContact O-CB 3.32Å; Q72-A75 PolarHBondContact O-N 2.89Å; A73-A75 VanDerWaalsContact C-N 3.35Å; A75-K78 PolarHBondContact O-N 2.93Å; A75-D79 PolarHBondContact O-N 3Å; A75-D79 VanDerWaalsContact O-N 3.17Å; A75-R80 WeakPolarHBondContact CB-O 3.46Å; A75-R80 PolarHBondContact O-N 3.43Å; A75-F83 HydrophobicContact CB-CB 4.27Å
76V98.2Very high97.7Very high85 Ų8559 Ų5952%0.51530%0.304SS..Hα-helixtrans-62.2-44.9174.2175.80000110.8Q72 A73 E74 K78 D79 L81Q72-V76 PolarHBondContact O-N 2.77Å; A73-V76 PolarHBondContact O-N 2.55Å; E74-V76 PolarHBondContact O-N 2.88Å; V76-K78 VanDerWaalsContact C-N 3.27Å; V76-K78 PolarHBondContact O-N 3.48Å; V76-D79 PolarHBondContact O-N 3.04Å; V76-L81 HydrophobicContact CG2-CD2 4.16Å
77K97.3Very high97.7Very high144 Ų14458 Ų5863%0.62630%0.298SS*.Hα-helixtrans-66.1-29.3-176.9-178.656.8-173.6163.10113.6Y10 A73 E74Y10-K77 HydrophobicContact CE1-CB 4.49Å; Y10-K77 WeakPolarHBondContact OH-CB 3.48Å; Y10-K77 WeakPolarHBondContact OH-CG 3.39Å; A73-K77 WeakPolarHBondContact O-CB 3.32Å; A73-K77 PolarHBondContact O-N 3.35Å; E74-K77 PolarHBondContact O-N 3.34Å
78K95.6Very high97.7Very high52 Ų5264 Ų6423%0.22632%0.324CS..THydrogen-bonded Turntrans-98.94-177.4-63.1-66.9-173.9161.80113.5T17 K18 V20 F23 E74 A75 V76 R80T17-K78 PolarHBondContact O-NZ 3.1Å; K18-K78 PolarHBondContact O-NZ 3.45Å; V20-K78 PolarHBondContact O-NZ 3.39Å; F23-K78 HydrophobicContact CE2-CB 4.48Å; E74-K78 HydrophobicContact CG-CG 4.14Å; E74-K78 WeakPolarHBondContact O-CB 3.47Å; E74-K78 VanDerWaalsContact O-CG 3.26Å; E74-K78 WeakPolarHBondContact O-CG 3.43Å; E74-K78 PolarHBondContact O-N 3.23Å; E74-K78 WeakPolarHBondContact OE1-CE 3.26Å; A75-K78 PolarHBondContact O-N 2.93Å; V76-K78 VanDerWaalsContact C-N 3.27Å; V76-K78 PolarHBondContact O-N 3.48Å; K78-R80 VanDerWaalsContact C-N 3.26Å; K78-R80 HydrophobicContact CB-CG 3.99Å; K78-R80 PolarHBondContact O-N 3.17Å
79D97.1Very high97.6Very high132 Ų13265.4 Ų65.471%0.70634%0.34SS*.THydrogen-bonded Turntrans54.942.1-173.6-162.333.8000112.9A75 V76A75-D79 PolarHBondContact O-N 3Å; A75-D79 VanDerWaalsContact O-N 3.17Å; V76-D79 PolarHBondContact O-N 3.04Å
80R97.3Very high97.5Very high49 Ų4963.7 Ų63.719%0.18533%0.331CS..  trans-113.352.6179-64.4-57.8-58.7-9410.1110.7D21 F23 N24 A75 K78 D82 F83D21-R80 IonicContact OD1-NH1 2.72Å; D21-R80 IonicContact OD2-CZ 3.68Å; D21-R80 IonicContact OD2-NH1 3.77Å; D21-R80 PolarHBondContact OD2-NH1 3.47Å; F23-R80 HydrophobicContact CB-CG 4.41Å; F23-R80 HydrophobicContact CD2-CB 3.68Å; F23-R80 HydrophobicContact CD2-CG 3.76Å; F23-R80 HydrophobicContact CE2-CB 4.1Å; F23-R80 HydrophobicContact CE2-CG 4.48Å; F23-R80 HydrophobicContact CG-CB 4.19Å; F23-R80 HydrophobicContact CG-CG 4.37Å; N24-R80 PolarHBondContact OD1-NH1 3.41Å; A75-R80 WeakPolarHBondContact CB-O 3.46Å; A75-R80 PolarHBondContact O-N 3.43Å; K78-R80 VanDerWaalsContact C-N 3.26Å; K78-R80 HydrophobicContact CB-CG 3.99Å; K78-R80 PolarHBondContact O-N 3.17Å; R80-D82 WeakPolarHBondContact CA-OD1 3.41Å; R80-D82 IonicContact NE-OD1 2.66Å; R80-D82 PolarHBondContact NE-OD1 2.55Å; R80-D82 IonicContact NH2-OD2 3.98Å; R80-D82 PolarHBondContact O-N 2.84Å; R80-D82 VanDerWaalsContact O-N 3.09Å; R80-F83 HydrophobicContact CB-CD2 4.35Å; R80-F83 VanDerWaalsContact NH2-CE2 3.29Å; R80-F83 PolarHBondContact O-N 3.15Å
81L97Very high97.4Very high105 Ų10566.7 Ų66.755%0.5534%0.344SS..G310 helixtrans-60.7-20.7-174.5-64.4-179.4000113.4V76 F83 H84V76-L81 HydrophobicContact CG2-CD2 4.16Å; L81-F83 PolarHBondContact O-N 3.5Å; L81-H84 VanDerWaalsContact O-CB 3.23Å; L81-H84 WeakPolarHBondContact O-CB 3.42Å; L81-H84 PolarHBondContact O-N 3.41Å
82D96.8Very high97.1Very high81 Ų8171.7 Ų71.743%0.43337%0.366SS..G310 helixtrans-55.7-29.4169.559-41.2000112.5R48 R80R48-D82 PolarHBondContact NH1-O 2.82Å; R48-D82 PolarHBondContact NH2-O 2.72Å; R80-D82 WeakPolarHBondContact CA-OD1 3.41Å; R80-D82 IonicContact NE-OD1 2.66Å; R80-D82 PolarHBondContact NE-OD1 2.55Å; R80-D82 IonicContact NH2-OD2 3.98Å; R80-D82 PolarHBondContact O-N 2.84Å; R80-D82 VanDerWaalsContact O-N 3.09Å
83F97.4Very high96.5Very high21 Ų2171.2 Ų71.29%0.09236%0.364CS..G310 helixtrans-97.37.1176.3-69.9-81.5000114.8F23 V45 A75 R80 L81 Q85 W87F23-F83 HydrophobicContact CB-CD2 3.73Å; F23-F83 HydrophobicContact CB-CE2 3.85Å; F23-F83 HydrophobicContact CB-CG 4.22Å; F23-F83 HydrophobicContact CB-CZ 4.4Å; F23-F83 HydrophobicContact CD1-CB 3.44Å; F23-F83 VanDerWaalsContact CD1-CB 3.44Å; F23-F83 AromaticContact CD1-CD1 3.8Å; F23-F83 HydrophobicContact CD1-CD1 3.8Å; F23-F83 AromaticContact CD1-CD2 3.74Å; F23-F83 HydrophobicContact CD1-CD2 3.74Å; F23-F83 HydrophobicContact CD1-CE2 4.47Å; F23-F83 AromaticContact CD1-CG 3.35Å; F23-F83 HydrophobicContact CD1-CG 3.35Å; F23-F83 HydrophobicContact CE1-CB 3.48Å; F23-F83 VanDerWaalsContact CE1-CB 3.48Å; F23-F83 HydrophobicContact CE1-CD1 4.44Å; F23-F83 AromaticContact CE1-CG 3.94Å; F23-F83 HydrophobicContact CE1-CG 3.94Å; F23-F83 HydrophobicContact CG-CB 4.18Å; F23-F83 AromaticContact CG-CD2 3.84Å; F23-F83 HydrophobicContact CG-CD2 3.84Å; F23-F83 HydrophobicContact CG-CE2 4.44Å; F23-F83 AromaticContact CG-CG 3.96Å; F23-F83 HydrophobicContact CG-CG 3.96Å; F23-F83 HydrophobicContact CZ-CB 4.25Å; V45-F83 HydrophobicContact CG1-CD1 4.14Å; V45-F83 HydrophobicContact CG1-CE1 3.52Å; V45-F83 HydrophobicContact CG1-CZ 3.98Å; V45-F83 WeakPolarHBondContact O-CE1 3.35Å; A75-F83 HydrophobicContact CB-CB 4.27Å; R80-F83 HydrophobicContact CB-CD2 4.35Å; R80-F83 VanDerWaalsContact NH2-CE2 3.29Å; R80-F83 PolarHBondContact O-N 3.15Å; L81-F83 PolarHBondContact O-N 3.5Å; F83-Q85 PolarHBondContact O-N 3.03Å; F83-W87 HydrophobicContact CB-CZ2 4.23Å; F83-W87 HydrophobicContact CD1-CH2 4.24Å; F83-W87 AromaticContact CD1-CZ2 3.88Å; F83-W87 HydrophobicContact CD1-CZ2 3.88Å; F83-W87 PolarHBondContact O-NE1 2.85Å
84H97.6Very high95.8Very high65 Ų6576.8 Ų76.830%0.30139%0.39SS..SBendtrans-65.1-37.8-179.1-178.5-109.1000112.2Q72 L81Q72-H84 WeakPolarHBondContact CG-O 3.29Å; L81-H84 VanDerWaalsContact O-CB 3.23Å; L81-H84 WeakPolarHBondContact O-CB 3.42Å; L81-H84 PolarHBondContact O-N 3.41Å
85Q96.9Very high95Very high136 Ų13677.2 Ų77.264%0.63639%0.393SS*.SBendtrans-124.1171.7-176-58.8-1735.800113.5R48 F83R48-Q85 WeakPolarHBondContact CD-O 3.16Å; R48-Q85 PolarHBondContact NH1-O 2.84Å; F83-Q85 PolarHBondContact O-N 3.03Å
86G96.9Very high94.5Very high47 Ų4778.1 Ų78.149%0.48540%0.4SS..  trans92.16.1172.700000115.7K88G86-K88 PolarHBondContact O-N 3.34Å
87W98.1Very high94.2Very high29 Ų2981.1 Ų81.111%0.1140%0.402CS..  trans-69.6122.7177.8-64.7102.1000112.4F23 V43 V45 R48 I50 A68 L71 F83F23-W87 HydrophobicContact CD1-CZ2 4.49Å; F23-W87 HydrophobicContact CE1-CZ2 4.1Å; V43-W87 HydrophobicContact CG1-CE3 4.18Å; V43-W87 HydrophobicContact CG1-CH2 3.93Å; V43-W87 HydrophobicContact CG1-CZ3 3.34Å; V45-W87 HydrophobicContact CG1-CH2 4.46Å; R48-W87 VanDerWaalsContact C-CE3 3.47Å; R48-W87 VanDerWaalsContact CA-CE3 3.45Å; R48-W87 VanDerWaalsContact CA-CZ3 3.43Å; R48-W87 HydrophobicContact CB-CD2 4.09Å; R48-W87 HydrophobicContact CB-CE3 3.77Å; R48-W87 HydrophobicContact CB-CZ3 4.03Å; R48-W87 HydrophobicContact CG-CE3 4.5Å; R48-W87 HydrophobicContact CG-CH2 4.5Å; R48-W87 HydrophobicContact CG-CZ3 4.43Å; R48-W87 CarbonylContact O-C 3.58Å; R48-W87 VanDerWaalsContact O-CA 3.32Å; R48-W87 WeakPolarHBondContact O-CA 3.4Å; I50-W87 HydrophobicContact CD1-CB 4.06Å; I50-W87 HydrophobicContact CD1-CE3 4.3Å; I50-W87 HydrophobicContact CG1-CE3 4.05Å; A68-W87 HydrophobicContact CB-CB 4.24Å; L71-W87 HydrophobicContact CB-CD2 4.41Å; L71-W87 HydrophobicContact CB-CZ2 4.08Å; L71-W87 HydrophobicContact CD1-CD2 3.68Å; L71-W87 HydrophobicContact CD1-CE3 3.66Å; L71-W87 HydrophobicContact CD1-CG 4.4Å; L71-W87 HydrophobicContact CD1-CH2 3.87Å; L71-W87 HydrophobicContact CD1-CZ2 3.88Å; L71-W87 HydrophobicContact CD1-CZ3 3.75Å; L71-W87 HydrophobicContact CD2-CH2 4.4Å; L71-W87 HydrophobicContact CD2-CZ2 4.31Å; L71-W87 HydrophobicContact CG-CZ2 4.31Å; F83-W87 HydrophobicContact CB-CZ2 4.23Å; F83-W87 HydrophobicContact CD1-CH2 4.24Å; F83-W87 AromaticContact CD1-CZ2 3.88Å; F83-W87 HydrophobicContact CD1-CZ2 3.88Å; F83-W87 PolarHBondContact O-NE1 2.85Å
88K97.9Very high93.9Very high126 Ų12674.6 Ų74.655%0.54837%0.374SS..EExtended strand (participates in β ladder)trans-111.6129.4179.7-64.1-178.6-176.3179.20111.4R48 T49 I50 G86 Y90R48-K88 PolarHBondContact O-N 2.93Å; T49-K88 CarbonylContact C-O 3.57Å; T49-K88 WeakPolarHBondContact CA-O 3.39Å; I50-K88 PolarHBondContact N-O 3Å; G86-K88 PolarHBondContact O-N 3.34Å; K88-Y90 HydrophobicContact CB-CE2 3.62Å
89G97.3Very high93.8Very high48 Ų4878.5 Ų78.550%0.49540%0.397SS..EExtended strand (participates in β ladder)trans-93.8136.2179.200000113.1I50I50-G89 CarbonylContact O-C 3.57Å; I50-G89 WeakPolarHBondContact O-CA 3.08Å
90Y96.6Very high93.6Very high109 Ų10974.9 Ų74.943%0.42738%0.378SS..EExtended strand (participates in β ladder)trans-133.7155.1178.7-59.9-84000111.6T49 I50 T51 Y52 K88T49-Y90 HydrophobicContact CG2-CD2 4.41Å; T49-Y90 HydrophobicContact CG2-CE2 3.73Å; I50-Y90 PolarHBondContact O-N 2.82Å; T51-Y90 WeakPolarHBondContact CA-O 3.39Å; Y52-Y90 PolarHBondContact N-O 3.14Å; K88-Y90 HydrophobicContact CB-CE2 3.62Å
91F95.7Very high93.3Very high69 Ų6978.9 Ų78.930%0.30340%0.403SS..EExtended strand (participates in β ladder)trans-116.4120171.5-67.7-91.5000108.6Y52 L59 R61 P64 M93Y52-F91 AromaticContact CD1-CD1 3.73Å; Y52-F91 HydrophobicContact CD1-CD1 3.73Å; Y52-F91 AromaticContact CD1-CE1 3.84Å; Y52-F91 HydrophobicContact CD1-CE1 3.84Å; Y52-F91 HydrophobicContact CG-CD1 4.22Å; Y52-F91 HydrophobicContact CG-CE1 4.11Å; L59-F91 HydrophobicContact CD2-CB 4.37Å; L59-F91 HydrophobicContact CD2-CD1 3.66Å; L59-F91 HydrophobicContact CD2-CE1 4.22Å; L59-F91 HydrophobicContact CD2-CG 4.01Å; R61-F91 HydrophobicContact CG-CZ 4.26Å; P64-F91 HydrophobicContact CG-CZ 4.03Å; F91-M93 HydrophobicContact CB-CG 4.18Å; F91-M93 HydrophobicContact CB-SD 3.99Å; F91-M93 PolarHBondContact O-N 2.84Å
92K92.6Very high93.1Very high106 Ų10677.4 Ų77.446%0.46140%0.401SS..EExtended strand (participates in β ladder)trans-93.389.8175.5-166.382.1177.31800109.2T51 Y52 F53 V95T51-K92 HydrophobicContact CG2-CB 3.82Å; Y52-K92 PolarHBondContact O-N 3.38Å; F53-K92 HydrophobicContact CD1-CB 3.65Å; F53-K92 HydrophobicContact CD1-CG 4.04Å; F53-K92 HydrophobicContact CE1-CB 3.57Å; F53-K92 HydrophobicContact CE1-CG 3.74Å; F53-K92 HydrophobicContact CG-CB 4.48Å; F53-K92 HydrophobicContact CZ-CB 4.34Å; K92-V95 HydrophobicContact CB-CG1 4.15Å; K92-V95 HydrophobicContact CG-CG1 3.42Å; K92-V95 VanDerWaalsContact CG-CG1 3.42Å
93M84.9Confident93.1Very high60 Ų6073.9 Ų73.930%0.29638%0.383SS..  trans-85.8-26.9-175.9-56.5-55.2-73.200113.5R57 L59 F91 V95R57-M93 HydrophobicContact CB-CE 3.76Å; R57-M93 HydrophobicContact CG-CE 4.42Å; R57-M93 PolarHBondContact NE-O 3.44Å; R57-M93 WeakPolarHBondContact O-CE 3.39Å; L59-M93 HydrophobicContact CD2-CE 3.79Å; L59-M93 HydrophobicContact CD2-SD 3.7Å; L59-M93 HydrophobicContact CG-CE 4.34Å; F91-M93 HydrophobicContact CB-CG 4.18Å; F91-M93 HydrophobicContact CB-SD 3.99Å; F91-M93 PolarHBondContact O-N 2.84Å; M93-V95 PolarHBondContact O-N 2.82Å
94N83.1Confident93.1Very high148 Ų14873.2 Ų73.279%0.79138%0.38SS*.SBendtrans-84.859.9177.1-66.1-7.7000110.3
95V83.4Confident93Very high10 Ų1071.2 Ų71.26%0.06138%0.378CS..SBendtrans-121.6164.8172.3-59.20000110F53 R57 K92 M93 R97 Y111 F121F53-V95 HydrophobicContact CD1-CG1 4.14Å; R57-V95 PolarHBondContact NH2-O 2.79Å; K92-V95 HydrophobicContact CB-CG1 4.15Å; K92-V95 HydrophobicContact CG-CG1 3.42Å; K92-V95 VanDerWaalsContact CG-CG1 3.42Å; M93-V95 PolarHBondContact O-N 2.82Å; V95-R97 PolarHBondContact O-N 2.88Å; V95-Y111 HydrophobicContact CB-CE1 4.25Å; V95-Y111 HydrophobicContact CG2-CE1 4.38Å; V95-F121 HydrophobicContact CB-CD2 4.17Å; V95-F121 HydrophobicContact CG1-CD2 3.64Å; V95-F121 HydrophobicContact CG1-CE2 3.72Å
96A86.3Confident93Very high19 Ų1965.2 Ų65.216%0.15735%0.351CS..PPolyproline II helixtrans-50.8125.1172.900000109.7F107 Y111 F123A96-F107 HydrophobicContact CB-CD1 4.3Å; A96-F107 HydrophobicContact CB-CE1 3.69Å; A96-F107 WeakPolarHBondContact O-CE1 3.12Å; A96-Y111 PolarHBondContact O-OH 3.19Å; A96-F123 HydrophobicContact CB-CD2 4.19Å; A96-F123 HydrophobicContact CB-CE2 4.02Å; A96-F123 HydrophobicContact CB-CZ 4.49Å; A96-F123 WeakPolarHBondContact CB-O 3.35Å
97R91.8Very high93Very high148 Ų14863 Ų6356%0.55833%0.328SS*.PPolyproline II helixtrans-100.2138.7-176.3-171.2-170168.9167.3-2.1109.2S55 R57 V95S55-R97 CarbonylContact O-C 3.5Å; S55-R97 VanDerWaalsContact O-CA 3.26Å; S55-R97 WeakPolarHBondContact O-CA 3.25Å; S55-R97 WeakPolarHBondContact O-CG 3.41Å; R57-R97 HydrophobicContact CG-CG 4.21Å; V95-R97 PolarHBondContact O-N 2.88Å
98Q92.2Very high93Very high7 Ų761.9 Ų61.93%0.03333%0.325CS..PPolyproline II helixtrans-80.5152.3169.476-172.579.600111.1S55 Q56 N100 F107S55-Q98 VanDerWaalsContact CB-OE1 3.28Å; S55-Q98 PolarHBondContact O-N 2.91Å; S55-Q98 PolarHBondContact OG-OE1 2.83Å; Q56-Q98 HydrophobicContact CG-CG 3.68Å; Q98-N100 PolarHBondContact NE2-O 2.93Å; Q98-F107 HydrophobicContact CB-CD2 3.98Å; Q98-F107 HydrophobicContact CB-CE2 3.55Å; Q98-F107 HydrophobicContact CB-CZ 3.96Å
99N93.2Very high92.9Very high133 Ų13360.1 Ų60.171%0.71132%0.321SS*.SBendtrans-121.610.3175.171-0.9000113.9Q125N99-Q125 HydrophobicContact CB-CG 4.43Å; N99-Q125 WeakPolarHBondContact OD1-CG 3.45Å; N99-Q125 PolarHBondContact OD1-OE1 2.95Å
100N93.6Very high92.9Very high56 Ų5658 Ų5830%0.29930%0.298SS..SBendtrans-127.7-175.4171.363.243.5000110.3Q98 S102 D103Q98-N100 PolarHBondContact NE2-O 2.93Å; N100-S102 PolarHBondContact OD1-N 2.93Å; N100-D103 PolarHBondContact ND2-OD2 3.48Å; N100-D103 VanDerWaalsContact OD1-CB 3.29Å; N100-D103 WeakPolarHBondContact OD1-CB 3.47Å; N100-D103 PolarHBondContact OD1-N 3.02Å; N100-D103 PolarHBondContact OD1-OD2 3.36Å
101D89.5Confident92.8Very high134 Ų13452.9 Ų52.972%0.71728%0.278SS*.SBendtrans-97.5-16.3-179.956.6-0.5000114.1
102S93.8Very high92.9Very high73 Ų7350.6 Ų50.651%0.5127%0.27SS..SBendtrans-101.2-14.3-168.761.80000115.4N100 R132N100-S102 PolarHBondContact OD1-N 2.93Å; S102-R132 VanDerWaalsContact C-NH2 3.3Å; S102-R132 PolarHBondContact O-NH2 3.24Å
103D96.8Very high92.9Very high8 Ų846.8 Ų46.84%0.04325%0.253CS..  trans-87.1-7.7-175.4-79.2-31.4000115.2N100 G105 A106 F107 Q125 M128 R132N100-D103 PolarHBondContact ND2-OD2 3.48Å; N100-D103 VanDerWaalsContact OD1-CB 3.29Å; N100-D103 WeakPolarHBondContact OD1-CB 3.47Å; N100-D103 PolarHBondContact OD1-N 3.02Å; N100-D103 PolarHBondContact OD1-OD2 3.36Å; D103-G105 VanDerWaalsContact C-N 3.25Å; D103-G105 PolarHBondContact O-N 3.48Å; D103-G105 VanDerWaalsContact O-N 3.1Å; D103-A106 WeakPolarHBondContact O-CA 3.3Å; D103-A106 WeakPolarHBondContact O-CB 3.29Å; D103-A106 PolarHBondContact O-N 2.9Å; D103-F107 HydrophobicContact CB-CD2 3.84Å; D103-F107 HydrophobicContact CB-CE2 3.85Å; D103-F107 WeakPolarHBondContact O-CD2 3.4Å; D103-F107 PolarHBondContact O-N 3.22Å; D103-Q125 PolarHBondContact OD2-NE2 2.66Å; D103-M128 HydrophobicContact CB-CG 4.33Å; D103-R132 IonicContact OD1-CZ 3.74Å; D103-R132 IonicContact OD1-NE 2.77Å; D103-R132 PolarHBondContact OD1-NE 2.81Å; D103-R132 IonicContact OD1-NH2 3.94Å; D103-R132 PolarHBondContact OD1-NH2 2.79Å
104C96.4Very high93.4Very high6 Ų644.7 Ų44.74%0.04124%0.243CC..Hα-helixtrans-51.3-42.6-174.757.50000113.3H37 W38 F107 V108H37-C104 VanDerWaalsContact ND1-CB 3.34Å; H37-C104 WeakPolarHBondContact ND1-CB 3.42Å; W38-C104 HydrophobicContact CB-CB 4.22Å; C104-F107 PolarHBondContact O-N 2.79Å; C104-V108 WeakPolarHBondContact O-CG2 3.44Å; C104-V108 PolarHBondContact O-N 2.72Å
105G96.3Very high93.9Very high24 Ų2439.6 Ų39.625%0.24722%0.215CC..Hα-helixtrans-64.9-39.8175.500000113.5D103 V108 L109D103-G105 VanDerWaalsContact C-N 3.25Å; D103-G105 PolarHBondContact O-N 3.48Å; D103-G105 VanDerWaalsContact O-N 3.1Å; G105-V108 PolarHBondContact O-N 2.96Å; G105-L109 WeakPolarHBondContact O-CG 3.37Å; G105-L109 PolarHBondContact O-N 2.74Å
106A96.8Very high94.3Very high9 Ų940.3 Ų40.37%0.07422%0.223CC..Hα-helixtrans-66.1-40.4176.500000111.4D103 L109 Q110 M128 R132 I135D103-A106 WeakPolarHBondContact O-CA 3.3Å; D103-A106 WeakPolarHBondContact O-CB 3.29Å; D103-A106 PolarHBondContact O-N 2.9Å; A106-L109 PolarHBondContact O-N 2.73Å; A106-Q110 WeakPolarHBondContact O-CG 3.42Å; A106-Q110 PolarHBondContact O-N 2.95Å; A106-M128 HydrophobicContact CB-SD 4.05Å; A106-R132 HydrophobicContact CB-CG 4.34Å; A106-I135 HydrophobicContact CB-CD1 4.34Å
107F97.3Very high94.5Very high0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-60.5-44.7172.2-85.6-98.3000111.8A96 Q98 D103 C104 L109 Q110 Y111 F123 Q125 M128A96-F107 HydrophobicContact CB-CD1 4.3Å; A96-F107 HydrophobicContact CB-CE1 3.69Å; A96-F107 WeakPolarHBondContact O-CE1 3.12Å; Q98-F107 HydrophobicContact CB-CD2 3.98Å; Q98-F107 HydrophobicContact CB-CE2 3.55Å; Q98-F107 HydrophobicContact CB-CZ 3.96Å; D103-F107 HydrophobicContact CB-CD2 3.84Å; D103-F107 HydrophobicContact CB-CE2 3.85Å; D103-F107 WeakPolarHBondContact O-CD2 3.4Å; D103-F107 PolarHBondContact O-N 3.22Å; C104-F107 PolarHBondContact O-N 2.79Å; F107-L109 VanDerWaalsContact C-N 3.34Å; F107-L109 PolarHBondContact O-N 3.32Å; F107-Q110 PolarHBondContact O-N 3.44Å; F107-Q110 VanDerWaalsContact O-N 3.17Å; F107-Y111 HydrophobicContact CB-CE2 4.07Å; F107-Y111 HydrophobicContact CD1-CE1 4.25Å; F107-Y111 AromaticContact CD1-CZ 3.9Å; F107-Y111 WeakPolarHBondContact CD1-OH 3.47Å; F107-Y111 VanDerWaalsContact O-CD2 3.3Å; F107-Y111 WeakPolarHBondContact O-CD2 3.45Å; F107-Y111 PolarHBondContact O-N 2.87Å; F107-F123 AromaticContact CD1-CE2 3.61Å; F107-F123 HydrophobicContact CD1-CE2 3.61Å; F107-F123 HydrophobicContact CD1-CZ 4.33Å; F107-F123 HydrophobicContact CE1-CD2 4.44Å; F107-F123 AromaticContact CE1-CE2 3.86Å; F107-F123 HydrophobicContact CE1-CE2 3.86Å; F107-F123 HydrophobicContact CG-CE2 4.36Å; F107-Q125 HydrophobicContact CZ-CB 4.28Å; F107-M128 HydrophobicContact CD1-CE 4.48Å; F107-M128 HydrophobicContact CD2-CE 4.15Å; F107-M128 HydrophobicContact CD2-CG 4.36Å; F107-M128 HydrophobicContact CD2-SD 3.77Å; F107-M128 HydrophobicContact CE1-CE 4.22Å; F107-M128 HydrophobicContact CE2-CE 3.87Å; F107-M128 HydrophobicContact CE2-CG 3.66Å; F107-M128 HydrophobicContact CE2-SD 3.63Å; F107-M128 HydrophobicContact CG-CE 4.45Å; F107-M128 HydrophobicContact CZ-CE 3.91Å; F107-M128 HydrophobicContact CZ-CG 4.2Å; F107-M128 HydrophobicContact CZ-SD 4.28Å
108V97.2Very high94.5Very high7 Ų739.8 Ų39.84%0.04224%0.235CC..Hα-helixtrans-57.9-45175.6166.80000111.6W38 L40 C104 G105 Q110 Y111 C112W38-V108 HydrophobicContact CB-CG2 4.03Å; L40-V108 HydrophobicContact CB-CG1 4.34Å; L40-V108 HydrophobicContact CB-CG2 4.35Å; L40-V108 HydrophobicContact CD1-CG1 4.48Å; C104-V108 WeakPolarHBondContact O-CG2 3.44Å; C104-V108 PolarHBondContact O-N 2.72Å; G105-V108 PolarHBondContact O-N 2.96Å; V108-Q110 VanDerWaalsContact C-N 3.33Å; V108-Q110 PolarHBondContact O-N 3.17Å; V108-Y111 PolarHBondContact O-N 2.97Å; V108-C112 WeakPolarHBondContact O-CB 3.3Å; V108-C112 PolarHBondContact O-N 3.36Å; V108-C112 PolarHBondContact O-SG 3.01Å
109L96.8Very high94.4Very high89 Ų8942.5 Ų42.547%0.46625%0.248SC..Hα-helixtrans-61.7-41176.6-68.9175.7000112.1G105 A106 F107 C112 K113 I135G105-L109 WeakPolarHBondContact O-CG 3.37Å; G105-L109 PolarHBondContact O-N 2.74Å; A106-L109 PolarHBondContact O-N 2.73Å; F107-L109 VanDerWaalsContact C-N 3.34Å; F107-L109 PolarHBondContact O-N 3.32Å; L109-C112 PolarHBondContact O-N 3.31Å; L109-K113 WeakPolarHBondContact O-CB 3.39Å; L109-K113 PolarHBondContact O-N 3.03Å; L109-I135 HydrophobicContact CB-CD1 4.2Å; L109-I135 HydrophobicContact CD1-CD1 4.05Å; L109-I135 HydrophobicContact CD1-CG1 4.48Å; L109-I135 HydrophobicContact CD1-CG2 3.79Å
110Q96.1Very high94.3Very high4 Ų441 Ų412%0.01925%0.246CC..Hα-helixtrans-68.3-41.4176.7-67.3-58.7-36.700112.4A106 F107 V108 C112 K113 H114 F123 L131A106-Q110 WeakPolarHBondContact O-CG 3.42Å; A106-Q110 PolarHBondContact O-N 2.95Å; F107-Q110 PolarHBondContact O-N 3.44Å; F107-Q110 VanDerWaalsContact O-N 3.17Å; V108-Q110 VanDerWaalsContact C-N 3.33Å; V108-Q110 PolarHBondContact O-N 3.17Å; Q110-C112 VanDerWaalsContact C-N 3.34Å; Q110-C112 PolarHBondContact O-N 2.84Å; Q110-K113 PolarHBondContact O-N 3.34Å; Q110-H114 PolarHBondContact O-N 3.44Å; Q110-H114 PolarHBondContact O-ND1 2.93Å; Q110-F123 HydrophobicContact CB-CD1 4.16Å; Q110-F123 HydrophobicContact CB-CD2 4.3Å; Q110-F123 HydrophobicContact CB-CE1 3.57Å; Q110-F123 HydrophobicContact CB-CE2 3.72Å; Q110-F123 HydrophobicContact CB-CG 4.49Å; Q110-F123 HydrophobicContact CB-CZ 3.3Å; Q110-F123 HydrophobicContact CG-CE2 4.29Å; Q110-F123 HydrophobicContact CG-CZ 4.32Å; Q110-L131 HydrophobicContact CG-CD1 4.14Å
111Y96.1Very high94.2Very high0 Ų040.9 Ų40.90%024%0.243CC..Hα-helixtrans-58.3-47.3173.2-60.4-32.9000111F53 S55 V95 A96 F107 V108 K113 H114 L115 F121 F123F53-Y111 HydrophobicContact CB-CD2 3.94Å; F53-Y111 HydrophobicContact CB-CE2 4.12Å; S55-Y111 WeakPolarHBondContact CA-OH 3.48Å; S55-Y111 WeakPolarHBondContact CB-OH 3.39Å; V95-Y111 HydrophobicContact CB-CE1 4.25Å; V95-Y111 HydrophobicContact CG2-CE1 4.38Å; A96-Y111 PolarHBondContact O-OH 3.19Å; F107-Y111 HydrophobicContact CB-CE2 4.07Å; F107-Y111 HydrophobicContact CD1-CE1 4.25Å; F107-Y111 AromaticContact CD1-CZ 3.9Å; F107-Y111 WeakPolarHBondContact CD1-OH 3.47Å; F107-Y111 VanDerWaalsContact O-CD2 3.3Å; F107-Y111 WeakPolarHBondContact O-CD2 3.45Å; F107-Y111 PolarHBondContact O-N 2.87Å; V108-Y111 PolarHBondContact O-N 2.97Å; Y111-K113 PolarHBondContact O-N 3.31Å; Y111-H114 PolarHBondContact O-N 3.42Å; Y111-L115 WeakPolarHBondContact O-CB 3.39Å; Y111-L115 VanDerWaalsContact O-CG 3.25Å; Y111-L115 WeakPolarHBondContact O-CG 3.46Å; Y111-L115 PolarHBondContact O-N 3.04Å; Y111-F121 HydrophobicContact CD1-CD1 4.37Å; Y111-F121 HydrophobicContact CD1-CD2 4.17Å; Y111-F121 HydrophobicContact CD1-CE1 4.2Å; Y111-F121 AromaticContact CD1-CE2 3.98Å; Y111-F121 HydrophobicContact CD1-CE2 3.98Å; Y111-F121 HydrophobicContact CD1-CG 4.37Å; Y111-F121 AromaticContact CD1-CZ 4Å; Y111-F121 HydrophobicContact CD1-CZ 4Å; Y111-F121 HydrophobicContact CE1-CD2 4.41Å; Y111-F121 HydrophobicContact CE1-CE2 4.47Å; Y111-F121 HydrophobicContact CG-CZ 4.39Å; Y111-F123 HydrophobicContact CD1-CE1 4.14Å; Y111-F123 AromaticContact CD1-CZ 3.58Å; Y111-F123 HydrophobicContact CD1-CZ 3.58Å; Y111-F123 HydrophobicContact CE1-CE1 4.37Å; Y111-F123 HydrophobicContact CE1-CE2 4.29Å; Y111-F123 AromaticContact CE1-CZ 3.54Å; Y111-F123 HydrophobicContact CE1-CZ 3.54Å
112C96.1Very high94.2Very high21 Ų2138.6 Ų38.614%0.14224%0.237CC..Hα-helixtrans-56.5-48.2176.3-75.10000112L29 V108 L109 Q110 L115 A116L29-C112 HydrophobicContact CD1-CB 3.9Å; V108-C112 WeakPolarHBondContact O-CB 3.3Å; V108-C112 PolarHBondContact O-N 3.36Å; V108-C112 PolarHBondContact O-SG 3.01Å; L109-C112 PolarHBondContact O-N 3.31Å; Q110-C112 VanDerWaalsContact C-N 3.34Å; Q110-C112 PolarHBondContact O-N 2.84Å; C112-L115 PolarHBondContact O-N 2.96Å; C112-A116 VanDerWaalsContact O-CB 3.27Å; C112-A116 WeakPolarHBondContact O-CB 3.27Å; C112-A116 PolarHBondContact O-N 3.47Å
113K94.4Very high94.2Very high26 Ų2635.7 Ų35.711%0.11322%0.215CC..Hα-helixtrans-59.3-50.8179.9-178.1173.4-179173.40111.8L109 Q110 Y111 A116 L117 E138 T145L109-K113 WeakPolarHBondContact O-CB 3.39Å; L109-K113 PolarHBondContact O-N 3.03Å; Q110-K113 PolarHBondContact O-N 3.34Å; Y111-K113 PolarHBondContact O-N 3.31Å; K113-A116 PolarHBondContact O-N 3.42Å; K113-L117 HydrophobicContact CG-CD1 3.89Å; K113-L117 WeakPolarHBondContact O-CB 3.25Å; K113-L117 VanDerWaalsContact O-CG 3.29Å; K113-L117 WeakPolarHBondContact O-CG 3.35Å; K113-L117 PolarHBondContact O-N 3.44Å; K113-E138 IonicContact NZ-OE1 2.66Å; K113-E138 PolarHBondContact NZ-OE1 3Å; K113-E138 IonicContact NZ-OE2 3.39Å; K113-E138 PolarHBondContact NZ-OE2 2.98Å; K113-T145 WeakPolarHBondContact CE-O 3.39Å; K113-T145 PolarHBondContact NZ-O 3.28Å
114H93.6Very high94.1Very high16 Ų1638.5 Ų38.57%0.07423%0.233CC..Hα-helixtrans-66.4-41.5-178.8-72.484.4000112Q110 Y111 L117 S118 Q119 P120 F121 F123Q110-H114 PolarHBondContact O-N 3.44Å; Q110-H114 PolarHBondContact O-ND1 2.93Å; Y111-H114 PolarHBondContact O-N 3.42Å; H114-L117 CarbonylContact O-C 3.56Å; H114-L117 PolarHBondContact O-N 2.79Å; H114-S118 PolarHBondContact O-N 3.3Å; H114-Q119 HydrophobicContact CB-CB 4.47Å; H114-Q119 PolarHBondContact O-N 2.64Å; H114-P120 PolarHBondContact CD2-O 3.48Å; H114-F121 HydrophobicContact CB-CD1 3.47Å; H114-F121 VanDerWaalsContact CB-CD1 3.47Å; H114-F121 HydrophobicContact CB-CE1 3.64Å; H114-F121 AromaticContact CG-CD1 3.96Å; H114-F123 AromaticContact CE1-CD1 3.37Å; H114-F123 WeakPolarHBondContact CE1-CD1 3.33Å; H114-F123 AromaticContact CE1-CE1 3.74Å; H114-F123 AromaticContact ND1-CD1 3.82Å; H114-F123 AromaticContact ND1-CE1 3.69Å; H114-F123 AromaticContact NE2-CD1 3.92Å
115L94.3Very high94Very high41 Ų4139.5 Ų39.522%0.21524%0.237CC..Hα-helixtrans-62.2-44.4175.5-72.5167.5000111.8L27 L29 L40 F53 Y111 C112 L117 S118 F121L27-L115 HydrophobicContact CD2-CB 4.13Å; L29-L115 HydrophobicContact CD2-CB 4.18Å; L29-L115 HydrophobicContact CD2-CD1 3.8Å; L40-L115 HydrophobicContact CD2-CD1 3.96Å; F53-L115 HydrophobicContact CE2-CD1 4.03Å; F53-L115 HydrophobicContact CZ-CD1 4.1Å; F53-L115 HydrophobicContact CZ-CD2 4.24Å; Y111-L115 WeakPolarHBondContact O-CB 3.39Å; Y111-L115 VanDerWaalsContact O-CG 3.25Å; Y111-L115 WeakPolarHBondContact O-CG 3.46Å; Y111-L115 PolarHBondContact O-N 3.04Å; C112-L115 PolarHBondContact O-N 2.96Å; L115-L117 VanDerWaalsContact C-N 3.35Å; L115-L117 PolarHBondContact O-N 3.17Å; L115-S118 PolarHBondContact O-N 2.94Å; L115-F121 HydrophobicContact CD1-CZ 4.28Å; L115-F121 HydrophobicContact CD2-CE1 4.39Å; L115-F121 HydrophobicContact CD2-CZ 4.12Å; L115-F121 HydrophobicContact CG-CE1 3.99Å; L115-F121 HydrophobicContact CG-CZ 3.93Å
116A92.3Very high94Very high26 Ų2646.9 Ų46.922%0.21527%0.265CS..Hα-helixtrans-64.7-38.9179.200000112.6C112 K113 S118 K168C112-A116 VanDerWaalsContact O-CB 3.27Å; C112-A116 WeakPolarHBondContact O-CB 3.27Å; C112-A116 PolarHBondContact O-N 3.47Å; K113-A116 PolarHBondContact O-N 3.42Å; A116-S118 VanDerWaalsContact C-N 3.26Å; A116-S118 PolarHBondContact O-N 3.39Å; A116-K168 PolarHBondContact O-NZ 3.24Å
117L91.3Very high94Very high57 Ų5749.4 Ų49.430%0.29828%0.277SS..THydrogen-bonded Turntrans-82.1-0.9176.8-63.7177.1000113.4K113 H114 L115 Q119 V146K113-L117 HydrophobicContact CG-CD1 3.89Å; K113-L117 WeakPolarHBondContact O-CB 3.25Å; K113-L117 VanDerWaalsContact O-CG 3.29Å; K113-L117 WeakPolarHBondContact O-CG 3.35Å; K113-L117 PolarHBondContact O-N 3.44Å; H114-L117 CarbonylContact O-C 3.56Å; H114-L117 PolarHBondContact O-N 2.79Å; L115-L117 VanDerWaalsContact C-N 3.35Å; L115-L117 PolarHBondContact O-N 3.17Å; L117-Q119 HydrophobicContact CB-CB 4.5Å; L117-Q119 HydrophobicContact CB-CG 4Å; L117-Q119 PolarHBondContact O-N 3.39Å; L117-V146 HydrophobicContact CD1-CG1 4.16Å; L117-V146 HydrophobicContact CD2-CG1 4.11Å
118S91.4Very high93.9Very high98 Ų9849.5 Ų49.569%0.68528%0.278SS*.THydrogen-bonded Turntrans55.837.5-176-54.20000112.7H114 L115 A116 K168H114-S118 PolarHBondContact O-N 3.3Å; L115-S118 PolarHBondContact O-N 2.94Å; A116-S118 VanDerWaalsContact C-N 3.26Å; A116-S118 PolarHBondContact O-N 3.39Å; S118-K168 PolarHBondContact OG-NZ 2.95Å
119Q90Very high93.9Very high64 Ų6452.5 Ų52.530%0.29930%0.298SS..  trans-104.1148.1-180-72.7-178.9-22.700111.4H114 L117H114-Q119 HydrophobicContact CB-CB 4.47Å; H114-Q119 PolarHBondContact O-N 2.64Å; L117-Q119 HydrophobicContact CB-CB 4.5Å; L117-Q119 HydrophobicContact CB-CG 4Å; L117-Q119 PolarHBondContact O-N 3.39Å
120P90.9Very high93.9Very high103 Ų10355 Ų5567%0.66931%0.305SS*.  trans-66152.1171.930.1-35.2000110.6H114 S122H114-P120 PolarHBondContact CD2-O 3.48Å; P120-S122 PolarHBondContact O-N 3.43Å
121F90.9Very high93.9Very high53 Ų5355.7 Ų55.723%0.23231%0.308CS..  trans-72.595.3173.3-57.9-28.3000110.2F53 V95 Y111 H114 L115 F123F53-F121 AromaticContact CD1-CE2 3.67Å; F53-F121 HydrophobicContact CD1-CE2 3.67Å; F53-F121 HydrophobicContact CD1-CZ 4.01Å; F53-F121 AromaticContact CE1-CE2 3.53Å; F53-F121 HydrophobicContact CE1-CE2 3.53Å; F53-F121 AromaticContact CE1-CZ 3.71Å; F53-F121 HydrophobicContact CE1-CZ 3.71Å; F53-F121 HydrophobicContact CZ-CZ 4.44Å; V95-F121 HydrophobicContact CB-CD2 4.17Å; V95-F121 HydrophobicContact CG1-CD2 3.64Å; V95-F121 HydrophobicContact CG1-CE2 3.72Å; Y111-F121 HydrophobicContact CD1-CD1 4.37Å; Y111-F121 HydrophobicContact CD1-CD2 4.17Å; Y111-F121 HydrophobicContact CD1-CE1 4.2Å; Y111-F121 AromaticContact CD1-CE2 3.98Å; Y111-F121 HydrophobicContact CD1-CE2 3.98Å; Y111-F121 HydrophobicContact CD1-CG 4.37Å; Y111-F121 AromaticContact CD1-CZ 4Å; Y111-F121 HydrophobicContact CD1-CZ 4Å; Y111-F121 HydrophobicContact CE1-CD2 4.41Å; Y111-F121 HydrophobicContact CE1-CE2 4.47Å; Y111-F121 HydrophobicContact CG-CZ 4.39Å; H114-F121 HydrophobicContact CB-CD1 3.47Å; H114-F121 VanDerWaalsContact CB-CD1 3.47Å; H114-F121 HydrophobicContact CB-CE1 3.64Å; H114-F121 AromaticContact CG-CD1 3.96Å; L115-F121 HydrophobicContact CD1-CZ 4.28Å; L115-F121 HydrophobicContact CD2-CE1 4.39Å; L115-F121 HydrophobicContact CD2-CZ 4.12Å; L115-F121 HydrophobicContact CG-CE1 3.99Å; L115-F121 HydrophobicContact CG-CZ 3.93Å; F121-F123 HydrophobicContact CB-CD1 4.48Å; F121-F123 HydrophobicContact CB-CE1 4.13Å; F121-F123 HydrophobicContact CD1-CE1 4.34Å; F121-F123 HydrophobicContact CG-CE1 4.4Å
122S89.4Confident93.9Very high85 Ų8560.9 Ų60.959%0.59433%0.328SS*.  trans-105.828.6-17655.40000113.4P120P120-S122 PolarHBondContact O-N 3.43Å
123F93.3Very high94Very high12 Ų1267.1 Ų67.15%0.05335%0.348CS..  trans-124159.9-179.867.7-86.5000111.6A96 F107 Q110 Y111 H114 F121 M128 L131A96-F123 HydrophobicContact CB-CD2 4.19Å; A96-F123 HydrophobicContact CB-CE2 4.02Å; A96-F123 HydrophobicContact CB-CZ 4.49Å; A96-F123 WeakPolarHBondContact CB-O 3.35Å; F107-F123 AromaticContact CD1-CE2 3.61Å; F107-F123 HydrophobicContact CD1-CE2 3.61Å; F107-F123 HydrophobicContact CD1-CZ 4.33Å; F107-F123 HydrophobicContact CE1-CD2 4.44Å; F107-F123 AromaticContact CE1-CE2 3.86Å; F107-F123 HydrophobicContact CE1-CE2 3.86Å; F107-F123 HydrophobicContact CG-CE2 4.36Å; Q110-F123 HydrophobicContact CB-CD1 4.16Å; Q110-F123 HydrophobicContact CB-CD2 4.3Å; Q110-F123 HydrophobicContact CB-CE1 3.57Å; Q110-F123 HydrophobicContact CB-CE2 3.72Å; Q110-F123 HydrophobicContact CB-CG 4.49Å; Q110-F123 HydrophobicContact CB-CZ 3.3Å; Q110-F123 HydrophobicContact CG-CE2 4.29Å; Q110-F123 HydrophobicContact CG-CZ 4.32Å; Y111-F123 HydrophobicContact CD1-CE1 4.14Å; Y111-F123 AromaticContact CD1-CZ 3.58Å; Y111-F123 HydrophobicContact CD1-CZ 3.58Å; Y111-F123 HydrophobicContact CE1-CE1 4.37Å; Y111-F123 HydrophobicContact CE1-CE2 4.29Å; Y111-F123 AromaticContact CE1-CZ 3.54Å; Y111-F123 HydrophobicContact CE1-CZ 3.54Å; H114-F123 AromaticContact CE1-CD1 3.37Å; H114-F123 WeakPolarHBondContact CE1-CD1 3.33Å; H114-F123 AromaticContact CE1-CE1 3.74Å; H114-F123 AromaticContact ND1-CD1 3.82Å; H114-F123 AromaticContact ND1-CE1 3.69Å; H114-F123 AromaticContact NE2-CD1 3.92Å; F121-F123 HydrophobicContact CB-CD1 4.48Å; F121-F123 HydrophobicContact CB-CE1 4.13Å; F121-F123 HydrophobicContact CD1-CE1 4.34Å; F121-F123 HydrophobicContact CG-CE1 4.4Å; F123-M128 HydrophobicContact CD2-CE 3.46Å; F123-M128 VanDerWaalsContact CD2-CE 3.46Å; F123-M128 HydrophobicContact CE2-CE 3.74Å; F123-L131 HydrophobicContact CB-CD1 3.95Å; F123-L131 HydrophobicContact CD2-CD1 4.23Å; F123-L131 HydrophobicContact CG-CD1 4.3Å
124T94.8Very high94.1Very high67 Ų6768 Ų6841%0.41135%0.353SS..  trans-132.1178.1179.570.90000111.2Q126 D127 M128T124-Q126 PolarHBondContact O-N 3.46Å; T124-Q126 PolarHBondContact OG1-N 3.31Å; T124-D127 PolarHBondContact N-OD2 2.93Å; T124-D127 PolarHBondContact O-N 3Å; T124-D127 PolarHBondContact OG1-OD2 3.44Å; T124-M128 WeakPolarHBondContact O-CE 3.37Å
125Q95.8Very high94.2Very high28 Ų2868.3 Ų68.313%0.13136%0.355CS..G310 helixtrans-59.5-32.2172.6177.560.772.900113.3N99 D103 F107 D127 M128N99-Q125 HydrophobicContact CB-CG 4.43Å; N99-Q125 WeakPolarHBondContact OD1-CG 3.45Å; N99-Q125 PolarHBondContact OD1-OE1 2.95Å; D103-Q125 PolarHBondContact OD2-NE2 2.66Å; F107-Q125 HydrophobicContact CZ-CB 4.28Å; Q125-D127 PolarHBondContact O-N 3.27Å; Q125-M128 WeakPolarHBondContact O-CB 3.46Å; Q125-M128 WeakPolarHBondContact O-CG 3.24Å; Q125-M128 PolarHBondContact O-N 3.02Å
126Q96.1Very high94.3Very high179 Ų17974 Ų7484%0.83638%0.375SS*.G310 helixtrans-65.6-25-180-65.5179.6-3.300112.1T124 P129T124-Q126 PolarHBondContact O-N 3.46Å; T124-Q126 PolarHBondContact OG1-N 3.31Å; Q126-P129 WeakPolarHBondContact O-CD 3.47Å
127D96Very high94.5Very high62 Ų6278.9 Ų78.933%0.33239%0.391SS..G310 helixtrans-80.4-15.6180-57-64.1000113T124 Q125 K130 L131T124-D127 PolarHBondContact N-OD2 2.93Å; T124-D127 PolarHBondContact O-N 3Å; T124-D127 PolarHBondContact OG1-OD2 3.44Å; Q125-D127 PolarHBondContact O-N 3.27Å; D127-K130 PolarHBondContact O-N 3.29Å; D127-L131 HydrophobicContact CB-CD1 3.53Å; D127-L131 HydrophobicContact CB-CG 4.02Å; D127-L131 WeakPolarHBondContact O-CG 3.49Å; D127-L131 PolarHBondContact O-N 3.48Å
128M96.3Very high94.6Very high1 Ų176.9 Ų76.91%0.00538%0.38CS..Hα-helixtrans-54.8-42.4-171.3-72-59120.200114.5D103 A106 F107 F123 T124 Q125 K130 L131 R132D103-M128 HydrophobicContact CB-CG 4.33Å; A106-M128 HydrophobicContact CB-SD 4.05Å; F107-M128 HydrophobicContact CD1-CE 4.48Å; F107-M128 HydrophobicContact CD2-CE 4.15Å; F107-M128 HydrophobicContact CD2-CG 4.36Å; F107-M128 HydrophobicContact CD2-SD 3.77Å; F107-M128 HydrophobicContact CE1-CE 4.22Å; F107-M128 HydrophobicContact CE2-CE 3.87Å; F107-M128 HydrophobicContact CE2-CG 3.66Å; F107-M128 HydrophobicContact CE2-SD 3.63Å; F107-M128 HydrophobicContact CG-CE 4.45Å; F107-M128 HydrophobicContact CZ-CE 3.91Å; F107-M128 HydrophobicContact CZ-CG 4.2Å; F107-M128 HydrophobicContact CZ-SD 4.28Å; F123-M128 HydrophobicContact CD2-CE 3.46Å; F123-M128 VanDerWaalsContact CD2-CE 3.46Å; F123-M128 HydrophobicContact CE2-CE 3.74Å; T124-M128 WeakPolarHBondContact O-CE 3.37Å; Q125-M128 WeakPolarHBondContact O-CB 3.46Å; Q125-M128 WeakPolarHBondContact O-CG 3.24Å; Q125-M128 PolarHBondContact O-N 3.02Å; M128-K130 VanDerWaalsContact C-N 3.31Å; M128-K130 PolarHBondContact O-N 3.08Å; M128-L131 HydrophobicContact CE-CD1 3.54Å; M128-L131 PolarHBondContact O-N 3.21Å; M128-R132 WeakPolarHBondContact O-CB 3.43Å; M128-R132 WeakPolarHBondContact O-CG 3.37Å; M128-R132 PolarHBondContact O-N 3.36Å
129P96.5Very high94.7Very high71 Ų7178.1 Ų78.146%0.46138%0.378SS..Hα-helixtrans-58.9-41.1176.2-25.735.7000113Q126 R133Q126-P129 WeakPolarHBondContact O-CD 3.47Å; P129-R133 PolarHBondContact O-N 3.02Å; P129-R133 PolarHBondContact O-NH1 3.34Å
130K96.5Very high94.9Very high141 Ų14178.4 Ų78.461%0.61339%0.387SS*.Hα-helixtrans-71.7-43.7177.2-177.6-178.9174.9-176.90111D127 M128 R132 R133 Q134D127-K130 PolarHBondContact O-N 3.29Å; M128-K130 VanDerWaalsContact C-N 3.31Å; M128-K130 PolarHBondContact O-N 3.08Å; K130-R132 PolarHBondContact O-N 3.43Å; K130-R133 PolarHBondContact O-N 3.39Å; K130-Q134 PolarHBondContact O-N 3.28Å
131L96.1Very high95.1Very high18 Ų1880 Ų809%0.09439%0.385CS..Hα-helixtrans-66.2-35.9-179.5-68.8169.9000112.3Q110 F123 D127 M128 Q134 I135Q110-L131 HydrophobicContact CG-CD1 4.14Å; F123-L131 HydrophobicContact CB-CD1 3.95Å; F123-L131 HydrophobicContact CD2-CD1 4.23Å; F123-L131 HydrophobicContact CG-CD1 4.3Å; D127-L131 HydrophobicContact CB-CD1 3.53Å; D127-L131 HydrophobicContact CB-CG 4.02Å; D127-L131 WeakPolarHBondContact O-CG 3.49Å; D127-L131 PolarHBondContact O-N 3.48Å; M128-L131 HydrophobicContact CE-CD1 3.54Å; M128-L131 PolarHBondContact O-N 3.21Å; L131-Q134 WeakPolarHBondContact O-CB 3.46Å; L131-Q134 PolarHBondContact O-N 3.1Å; L131-I135 WeakPolarHBondContact O-CB 3.48Å; L131-I135 WeakPolarHBondContact O-CD1 3.48Å; L131-I135 VanDerWaalsContact O-CG1 3.24Å; L131-I135 WeakPolarHBondContact O-CG1 3.38Å; L131-I135 PolarHBondContact O-N 2.96Å
132R97Very high95.1Very high109 Ų10983.5 Ų83.541%0.41142%0.415SS..Hα-helixtrans-61.2-46172.1-78.4179.7171.9-108.12.4111.9S102 D103 A106 M128 K130 Q134 I135 Y136S102-R132 VanDerWaalsContact C-NH2 3.3Å; S102-R132 PolarHBondContact O-NH2 3.24Å; D103-R132 IonicContact OD1-CZ 3.74Å; D103-R132 IonicContact OD1-NE 2.77Å; D103-R132 PolarHBondContact OD1-NE 2.81Å; D103-R132 IonicContact OD1-NH2 3.94Å; D103-R132 PolarHBondContact OD1-NH2 2.79Å; A106-R132 HydrophobicContact CB-CG 4.34Å; M128-R132 WeakPolarHBondContact O-CB 3.43Å; M128-R132 WeakPolarHBondContact O-CG 3.37Å; M128-R132 PolarHBondContact O-N 3.36Å; K130-R132 PolarHBondContact O-N 3.43Å; R132-Q134 VanDerWaalsContact C-N 3.28Å; R132-Q134 PolarHBondContact O-N 3.33Å; R132-I135 PolarHBondContact O-N 3.5Å; R132-Y136 PolarHBondContact O-N 3.2Å
133R97.3Very high95.2Very high152 Ų15286.9 Ų86.957%0.57442%0.419SS*.Hα-helixtrans-62.1-38174.4-69.9-172.7-64.6-90.45.7111.8P129 K130 K137P129-R133 PolarHBondContact O-N 3.02Å; P129-R133 PolarHBondContact O-NH1 3.34Å; K130-R133 PolarHBondContact O-N 3.39Å; R133-K137 WeakPolarHBondContact O-CG 3.37Å; R133-K137 PolarHBondContact O-N 3.26Å; R133-K137 VanDerWaalsContact O-N 3.12Å
134Q95.8Very high95Very high44 Ų4491 Ų9121%0.20644%0.441CS..Hα-helixtrans-65.5-49175.1178.6176.2-12.500111.6K130 L131 R132 Y136 K137 E138K130-Q134 PolarHBondContact O-N 3.28Å; L131-Q134 WeakPolarHBondContact O-CB 3.46Å; L131-Q134 PolarHBondContact O-N 3.1Å; R132-Q134 VanDerWaalsContact C-N 3.28Å; R132-Q134 PolarHBondContact O-N 3.33Å; Q134-Y136 VanDerWaalsContact C-N 3.29Å; Q134-Y136 PolarHBondContact O-N 3.35Å; Q134-K137 PolarHBondContact O-N 3.23Å; Q134-K137 VanDerWaalsContact O-N 3.1Å; Q134-E138 HydrophobicContact CG-CG 4.18Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.49Å; Q134-E138 PolarHBondContact NE2-OE1 3.48Å; Q134-E138 WeakPolarHBondContact O-CG 3.13Å; Q134-E138 PolarHBondContact O-N 3Å
135I95.7Very high94.5Very high23 Ų2391.6 Ų91.612%0.11844%0.444CS..Hα-helixtrans-54.4-47.8176.5-72.3160.8000110A106 L109 L131 R132 K137 E138 L139A106-I135 HydrophobicContact CB-CD1 4.34Å; L109-I135 HydrophobicContact CB-CD1 4.2Å; L109-I135 HydrophobicContact CD1-CD1 4.05Å; L109-I135 HydrophobicContact CD1-CG1 4.48Å; L109-I135 HydrophobicContact CD1-CG2 3.79Å; L131-I135 WeakPolarHBondContact O-CB 3.48Å; L131-I135 WeakPolarHBondContact O-CD1 3.48Å; L131-I135 VanDerWaalsContact O-CG1 3.24Å; L131-I135 WeakPolarHBondContact O-CG1 3.38Å; L131-I135 PolarHBondContact O-N 2.96Å; R132-I135 PolarHBondContact O-N 3.5Å; I135-K137 PolarHBondContact O-N 2.77Å; I135-E138 PolarHBondContact O-N 3.01Å; I135-L139 HydrophobicContact CG2-CD1 3.84Å; I135-L139 HydrophobicContact CG2-CG 4.33Å; I135-L139 VanDerWaalsContact O-CG 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.41Å; I135-L139 PolarHBondContact O-N 3.41Å
136Y96.6Very high93.6Very high160 Ų16094.6 Ų94.663%0.62747%0.465SS*.Hα-helixtrans-54.1-50.9175.8173.6-98000111.7R132 Q134 E138 L139 C140R132-Y136 PolarHBondContact O-N 3.2Å; Q134-Y136 VanDerWaalsContact C-N 3.29Å; Q134-Y136 PolarHBondContact O-N 3.35Å; Y136-E138 PolarHBondContact O-N 3.3Å; Y136-L139 PolarHBondContact O-N 2.97Å; Y136-C140 VanDerWaalsContact CZ-SG 3.54Å; Y136-C140 PolarHBondContact O-N 3.32Å; Y136-C140 PolarHBondContact O-SG 2.75Å
137K96.3Very high91.9Very high129 Ų12988 Ų8856%0.56144%0.444SS*.Hα-helixtrans-61.7-41.4177.2-71.2179.9178.4-172.20112.5R133 Q134 I135 L139 C140 H141R133-K137 WeakPolarHBondContact O-CG 3.37Å; R133-K137 PolarHBondContact O-N 3.26Å; R133-K137 VanDerWaalsContact O-N 3.12Å; Q134-K137 PolarHBondContact O-N 3.23Å; Q134-K137 VanDerWaalsContact O-N 3.1Å; I135-K137 PolarHBondContact O-N 2.77Å; K137-L139 VanDerWaalsContact C-N 3.31Å; K137-L139 PolarHBondContact O-N 2.84Å; K137-C140 PolarHBondContact O-N 2.96Å; K137-H141 PolarHBondContact O-N 2.84Å; K137-H141 VanDerWaalsContact O-N 3.1Å; K137-H141 PolarHBondContact O-ND1 3.1Å
138E94.7Very high89.4Confident16 Ų1692.1 Ų92.18%0.07547%0.471CS..Hα-helixtrans-65.1-37.1-179.9-69.6179167.100111.7K113 Q134 I135 Y136 C142 K143 L144 T145K113-E138 IonicContact NZ-OE1 2.66Å; K113-E138 PolarHBondContact NZ-OE1 3Å; K113-E138 IonicContact NZ-OE2 3.39Å; K113-E138 PolarHBondContact NZ-OE2 2.98Å; Q134-E138 HydrophobicContact CG-CG 4.18Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.49Å; Q134-E138 PolarHBondContact NE2-OE1 3.48Å; Q134-E138 WeakPolarHBondContact O-CG 3.13Å; Q134-E138 PolarHBondContact O-N 3Å; I135-E138 PolarHBondContact O-N 3.01Å; Y136-E138 PolarHBondContact O-N 3.3Å; E138-C142 CarbonylContact O-C 3.59Å; E138-C142 WeakPolarHBondContact O-CA 3.49Å; E138-C142 PolarHBondContact O-N 3.41Å; E138-K143 WeakPolarHBondContact CA-O 3.29Å; E138-K143 WeakPolarHBondContact CB-O 3.39Å; E138-K143 WeakPolarHBondContact CG-O 3.42Å; E138-K143 PolarHBondContact O-N 3.17Å; E138-L144 WeakPolarHBondContact OE2-CD2 3.32Å; E138-T145 WeakPolarHBondContact OE1-CA 3.22Å; E138-T145 VanDerWaalsContact OE1-CB 3.22Å; E138-T145 WeakPolarHBondContact OE1-CB 3.47Å; E138-T145 PolarHBondContact OE1-N 3.4Å; E138-T145 PolarHBondContact OE1-OG1 3.48Å
139L93.1Very high86.9Confident123 Ų123100.4 Ų100.464%0.64450%0.503SS*.Hα-helixtrans-69.1-48.2174.6-68.7172.5000111.8I135 Y136 K137 H141 C142I135-L139 HydrophobicContact CG2-CD1 3.84Å; I135-L139 HydrophobicContact CG2-CG 4.33Å; I135-L139 VanDerWaalsContact O-CG 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.41Å; I135-L139 PolarHBondContact O-N 3.41Å; Y136-L139 PolarHBondContact O-N 2.97Å; K137-L139 VanDerWaalsContact C-N 3.31Å; K137-L139 PolarHBondContact O-N 2.84Å; L139-H141 VanDerWaalsContact C-N 3.26Å; L139-H141 PolarHBondContact O-N 3.18Å; L139-C142 PolarHBondContact O-N 3.12Å
140C95Very high84Confident71 Ų71102.7 Ų102.748%0.4852%0.518SS..Hα-helixtrans-59.8-36.1179.4-68.60000112.9Y136 K137Y136-C140 VanDerWaalsContact CZ-SG 3.54Å; Y136-C140 PolarHBondContact O-N 3.32Å; Y136-C140 PolarHBondContact O-SG 2.75Å; K137-C140 PolarHBondContact O-N 2.96Å
141H93.9Very high81.2Confident137 Ų137102.2 Ų102.263%0.63453%0.53SS*.THydrogen-bonded Turntrans-97.10.4-178.7-56.6111000113.7K137 L139 K143K137-H141 PolarHBondContact O-N 2.84Å; K137-H141 VanDerWaalsContact O-N 3.1Å; K137-H141 PolarHBondContact O-ND1 3.1Å; L139-H141 VanDerWaalsContact C-N 3.26Å; L139-H141 PolarHBondContact O-N 3.18Å; H141-K143 HydrophobicContact CB-CB 4.29Å; H141-K143 PolarHBondContact O-N 3.42Å; H141-K143 VanDerWaalsContact O-N 3.08Å
142C91.9Very high78.4Confident126 Ų126104.2 Ų104.285%0.85156%0.556SS**THydrogen-bonded Turntrans47.835.2-172-65.10000113.3E138 L139E138-C142 CarbonylContact O-C 3.59Å; E138-C142 WeakPolarHBondContact O-CA 3.49Å; E138-C142 PolarHBondContact O-N 3.41Å; L139-C142 PolarHBondContact O-N 3.12Å
143K90.7Very high75.3Confident155 Ų155107.7 Ų107.767%0.67458%0.582SS**  trans-140117.8-171.4-175.6177.2179.8179.20110.7E138 H141E138-K143 WeakPolarHBondContact CA-O 3.29Å; E138-K143 WeakPolarHBondContact CB-O 3.39Å; E138-K143 WeakPolarHBondContact CG-O 3.42Å; E138-K143 PolarHBondContact O-N 3.17Å; H141-K143 HydrophobicContact CB-CB 4.29Å; H141-K143 PolarHBondContact O-N 3.42Å; H141-K143 VanDerWaalsContact O-N 3.08Å
144L88.2Confident72.2Confident100 Ų100104.3 Ų104.352%0.52459%0.593SS.*  trans-70.2133.5174.2-69.3177000110.5E138 V146E138-L144 WeakPolarHBondContact OE2-CD2 3.32Å; L144-V146 PolarHBondContact O-N 2.94Å
145T85.4Confident69.3Low78 Ų78106.3 Ų106.348%0.47963%0.626SS.*  trans-81.6109.8167.9-51.90000107.6K113 E138K113-T145 WeakPolarHBondContact CE-O 3.39Å; K113-T145 PolarHBondContact NZ-O 3.28Å; E138-T145 WeakPolarHBondContact OE1-CA 3.22Å; E138-T145 VanDerWaalsContact OE1-CB 3.22Å; E138-T145 WeakPolarHBondContact OE1-CB 3.47Å; E138-T145 PolarHBondContact OE1-N 3.4Å; E138-T145 PolarHBondContact OE1-OG1 3.48Å
146V75.7Confident66.1Low92 Ų92109 Ų10956%0.55865%0.651SS**  trans-93.9115169.2-68.30000107.2L117 L144L117-V146 HydrophobicContact CD1-CG1 4.16Å; L117-V146 HydrophobicContact CD2-CG1 4.11Å; L144-V146 PolarHBondContact O-N 2.94Å
147G62Low62.8Low40 Ų40107.7 Ų107.741%0.41266%0.66SS.*  trans-67.6133.7175.800000110.2W149G147-W149 PolarHBondContact O-N 2.84Å
148V43.3Very low59.8Low148 Ų148109.1 Ų109.190%0.89767%0.672SS**  trans-79.2101.5155.1-174.10000105
149W43.8Very low56.5Low176 Ų176115.1 Ų115.167%0.66770%0.704SS**  trans-82.7136.5173.6-61.1102.7000108.1G147 C151G147-W149 PolarHBondContact O-N 2.84Å; W149-C151 PolarHBondContact O-N 3.38Å; W149-C151 VanDerWaalsContact O-N 3.07Å
150P34.7Very low53.3Low119 Ų119114.5 Ų114.577%0.77371%0.708SS**  trans-60.5118.8178.920.9-25.5000108.5G152P150-G152 PolarHBondContact O-N 2.66Å
151C37.1Very low50.2Low130 Ų130119 Ų11988%0.87873%0.726SS**  trans-5699.1169.4-84.50000108.9W149W149-C151 PolarHBondContact O-N 3.38Å; W149-C151 VanDerWaalsContact O-N 3.07Å
152G37.2Very low47.1Very low61 Ų61117.8 Ų117.863%0.62973%0.73SS**  trans-118.7107.3161.400000107.3P150P150-G152 PolarHBondContact O-N 2.66Å
153L33.8Very low44.3Very low182 Ų182123.2 Ų123.295%0.95373%0.733SS**SBendtrans84.599.4175.7-49.2172.4000116.1
154G31.6Very low41.9Very low80 Ų80121.1 Ų121.183%0.82574%0.744SS**SBendtrans93.275.4146.100000117.3
155G34.1Very low39.6Very low87 Ų87119.7 Ų119.790%0.89775%0.754SS**  trans46.985.9143.900000118.7
156A28.2Very low37.4Very low78 Ų78120.1 Ų120.165%0.64576%0.76SS**  trans-143.6107.8146.300000108.9I158A156-I158 PolarHBondContact O-N 2.84Å
157V27.5Very low35.7Very low134 Ų134124.7 Ų124.781%0.81277%0.767SS**  trans-68.2112.4168.2176.10000107.1L159V157-L159 PolarHBondContact O-N 3.36Å; V157-L159 VanDerWaalsContact O-N 3.16Å
158I34Very low34.7Very low159 Ų159127.5 Ų127.582%0.81577%0.768SS**  trans-76.399.6168.1-61178.7000106.5A156A156-I158 PolarHBondContact O-N 2.84Å
159L25.2Very low34.6Very low141 Ų141122.5 Ų122.574%0.73874%0.739SS**  trans-59.6144164.6-75.6168.6000109.2V157 L161V157-L159 PolarHBondContact O-N 3.36Å; V157-L159 VanDerWaalsContact O-N 3.16Å; L159-L161 PolarHBondContact O-N 3.01Å
160P25.8Very low34.2Very low111 Ų111118.6 Ų118.672%0.72174%0.735SS**  trans-55140.917724.3-32.4000109.8
161L30.9Very low34.1Very low166 Ų166115.2 Ų115.287%0.86971%0.71SS**  trans-42.3125.7176.8-75.9160000110.2L159 R163L159-L161 PolarHBondContact O-N 3.01Å; L161-R163 PolarHBondContact O-N 2.86Å
162P27.7Very low34Very low111 Ų111111.4 Ų111.472%0.72169%0.693SS**  trans-64.8129.9171.326.1-30.3000108.2
163R32.8Very low33.7Very low240 Ų240111.2 Ų111.291%0.90668%0.679SS**SBendtrans-50.3144.3168.1-73.5178.8173.4-174.5-2.5109.9L161L161-R163 PolarHBondContact O-N 2.86Å
164A40.8Very low33.4Very low110 Ų110108.9 Ų108.991%0.90967%0.672SS**SBendtrans20.496.9167.300000116.5
165G39.2Very low33.1Very low70 Ų70107.8 Ų107.872%0.72266%0.661SS**  trans159.77175.200000117.1R167G165-R167 PolarHBondContact O-N 2.84Å
166S39.5Very low32.7Very low87 Ų87106.9 Ų106.961%0.60865%0.652SS**  trans-67.3115-174.8-173.90000112.6K168S166-K168 PolarHBondContact O-N 3.27Å
167R41.4Very low32.8Very low189 Ų189116 Ų11671%0.71368%0.681SS**  trans-72.217.2176.6-65.4-176.8-178.7-173.20.4114.2G165G165-R167 PolarHBondContact O-N 2.84Å
168K40.7Very low33.1Very low99 Ų99115.1 Ų115.143%0.4367%0.674SS.*  trans-93.7100.6172.2-65.7-173.3173.5-171.10108.5A116 S118 S166A116-K168 PolarHBondContact O-NZ 3.24Å; S118-K168 PolarHBondContact OG-NZ 2.95Å; S166-K168 PolarHBondContact O-N 3.27Å
169S40.2Very low33Very low42 Ų42112.7 Ų112.729%0.29467%0.667SS.*  trans-105.8113.1172.2-57.30000109.2K25 L171K25-S169 WeakPolarHBondContact CE-OG 3.41Å; K25-S169 PolarHBondContact NZ-OG 2.78Å; S169-L171 PolarHBondContact O-N 3.45Å; S169-L171 VanDerWaalsContact O-N 3.15Å
170V35.5Very low33.5Very low95 Ų95111.2 Ų111.258%0.57666%0.663SS**  trans-68.3107.1158.7-179.50000105.4L29 G172L29-V170 HydrophobicContact CD1-CG1 4.36Å; L29-V170 HydrophobicContact CD1-CG2 4.18Å; V170-G172 PolarHBondContact O-N 3.39Å
171L33.9Very low33.9Very low48 Ų48111.2 Ų111.225%0.25166%0.659SS.*  trans-72.975167.7-162.381.7000107.7T17 S169 V173T17-L171 HydrophobicContact CG2-CD2 4.22Å; S169-L171 PolarHBondContact O-N 3.45Å; S169-L171 VanDerWaalsContact O-N 3.15Å; L171-V173 VanDerWaalsContact C-N 3.29Å; L171-V173 HydrophobicContact CD2-CG2 3.96Å; L171-V173 HydrophobicContact CG-CG2 4.16Å; L171-V173 PolarHBondContact O-N 3.16Å
172G34.1Very low34.1Very low50 Ų50107.8 Ų107.852%0.51565%0.646SS.*  trans-65.1101.8154.300000104.9V170 V174V170-G172 PolarHBondContact O-N 3.39Å; G172-V174 PolarHBondContact O-N 3.25Å
173V30.4Very low34.5Very low56 Ų56107.5 Ų107.534%0.33964%0.641SS.*  trans-66.395.9167.2-175.80000105.8F1 W16 L171 G175F1-V173 HydrophobicContact CB-CG2 4.17Å; W16-V173 HydrophobicContact CD2-CG1 4.13Å; W16-V173 HydrophobicContact CE3-CB 4.04Å; W16-V173 HydrophobicContact CE3-CG1 3.17Å; W16-V173 HydrophobicContact CE3-CG2 4.05Å; W16-V173 HydrophobicContact CH2-CG1 4.33Å; W16-V173 HydrophobicContact CZ3-CB 4.01Å; W16-V173 HydrophobicContact CZ3-CG1 3.26Å; W16-V173 HydrophobicContact CZ3-CG2 4.37Å; L171-V173 VanDerWaalsContact C-N 3.29Å; L171-V173 HydrophobicContact CD2-CG2 3.96Å; L171-V173 HydrophobicContact CG-CG2 4.16Å; L171-V173 PolarHBondContact O-N 3.16Å; V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 3.07Å
174V27.6Very low34.7Very low133 Ų13398.1 Ų98.181%0.80662%0.623SS**  trans-60.8101.4161.1-177.80000104.4G172 G176G172-V174 PolarHBondContact O-N 3.25Å; V174-G176 VanDerWaalsContact C-N 3.29Å; V174-G176 PolarHBondContact O-N 2.88Å
175G26.5Very low34.2Very low58 Ų5897.2 Ų97.260%0.59860%0.601SS**  trans-62.4100.7163.100000106.4V173V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 3.07Å
176G25.6Very low33.8Very low68 Ų6899.4 Ų99.470%0.70159%0.59SS**  trans-61.7131.1157.700000107.5V174V174-G176 VanDerWaalsContact C-N 3.29Å; V174-G176 PolarHBondContact O-N 2.88Å
177Q29.8Very low33.2Very low268 Ų268100.5 Ų100.5100%1.25259%0.589SS**  trans-49.90168-70.5173.1-11.800110.9

Retrieved 177 of 177 residues in 212 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).