A0A3Q0KET0_SCHMA Loading...

Putative thrombospondin type 1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KET0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 478 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
1M58.5Low76.6Confident190 Ų19062 Ų6294%0.93630%0.302SS*.  0150.90-71.6176.4177.700107.5
2A67.2Low76.9Confident19 Ų1963.5 Ų63.516%0.15731%0.308CS..  trans-58.9143179.300000112Y4 L89 H90 C91A2-Y4 PolarHBondContact O-N 3.42Å; A2-L89 PolarHBondContact N-O 2.88Å; A2-H90 WeakPolarHBondContact CB-O 3.36Å; A2-C91 VanDerWaalsContact CB-C 3.43Å; A2-C91 VanDerWaalsContact CB-O 3.3Å; A2-C91 WeakPolarHBondContact CB-O 3.24Å
3N75.7Confident77Confident65 Ų6568.6 Ų68.635%0.34833%0.331SS..  trans-69.7123.8167.3-70.2-18.3000108.2E5 P7 P92 Y135N3-E5 VanDerWaalsContact C-N 3.3Å; N3-P7 HydrophobicContact CB-CG 4.47Å; N3-P92 WeakPolarHBondContact O-CB 3.43Å; N3-Y135 PolarHBondContact O-OH 2.92Å
4Y80.3Confident77.1Confident83 Ų8368.8 Ų68.833%0.32533%0.327SS..SBendtrans-75.8-19.9177.953.7-96.1000112.7A2 N93 K97A2-Y4 PolarHBondContact O-N 3.42Å; Y4-N93 WeakPolarHBondContact CB-O 3.47Å; Y4-K97 HydrophobicContact CD2-CB 3.8Å; Y4-K97 HydrophobicContact CD2-CD 4.44Å; Y4-K97 HydrophobicContact CD2-CG 4.27Å; Y4-K97 HydrophobicContact CE1-CB 4.5Å; Y4-K97 HydrophobicContact CE2-CB 3.68Å; Y4-K97 HydrophobicContact CE2-CD 3.87Å; Y4-K97 HydrophobicContact CE2-CG 3.66Å; Y4-K97 HydrophobicContact CG-CB 4.3Å
5E81Confident77.2Confident96 Ų9666.9 Ų66.945%0.44932%0.315SS..SBendtrans-105.5151.4171.1-75173.2-160.400110.6N3 P7 K97N3-E5 VanDerWaalsContact C-N 3.3Å; E5-P7 WeakPolarHBondContact O-CD 3.46Å; E5-K97 IonicContact OE1-NZ 2.82Å; E5-K97 PolarHBondContact OE1-NZ 3.26Å
6L81.7Confident77.3Confident23 Ų2364.1 Ų64.112%0.1230%0.303CS..  trans-64.3121.4173.6-173.668.5000109.5I10 K11 I123 Y135L6-I10 HydrophobicContact CD1-CB 3.87Å; L6-I10 HydrophobicContact CD1-CG1 4.3Å; L6-I10 HydrophobicContact CD1-CG2 3.68Å; L6-I10 HydrophobicContact CD2-CB 4.49Å; L6-I10 HydrophobicContact CD2-CG2 4.15Å; L6-I10 HydrophobicContact CG-CB 4.04Å; L6-I10 HydrophobicContact CG-CG2 4.08Å; L6-K11 HydrophobicContact CD2-CG 3.79Å; L6-K11 HydrophobicContact CG-CG 4.15Å; L6-K11 WeakPolarHBondContact O-CE 3.19Å; L6-I123 HydrophobicContact CD2-CG1 4.2Å; L6-Y135 HydrophobicContact CB-CD1 4.27Å; L6-Y135 HydrophobicContact CD1-CD1 4.21Å; L6-Y135 HydrophobicContact CD1-CD2 3.9Å; L6-Y135 HydrophobicContact CD1-CE1 4.41Å; L6-Y135 HydrophobicContact CD1-CE2 4.12Å; L6-Y135 HydrophobicContact CD1-CG 3.96Å
7P80.5Confident77.6Confident8 Ų860.5 Ų60.55%0.05229%0.286CS..  trans-59.9149.3-179.7-27.637.8000112.5N3 E5 Y9 I10 K11 F74N3-P7 HydrophobicContact CB-CG 4.47Å; E5-P7 WeakPolarHBondContact O-CD 3.46Å; P7-Y9 PolarHBondContact O-N 3.18Å; P7-I10 PolarHBondContact O-N 3.16Å; P7-K11 PolarHBondContact O-N 2.04Å; P7-K11 VanDerWaalsContact O-N 3.17Å; P7-F74 HydrophobicContact CG-CD2 3.64Å; P7-F74 HydrophobicContact CG-CE1 4.27Å; P7-F74 HydrophobicContact CG-CE2 3.24Å; P7-F74 HydrophobicContact CG-CG 4.26Å; P7-F74 HydrophobicContact CG-CZ 3.58Å
8L79.3Confident77.9Confident80 Ų8062.2 Ų62.242%0.41930%0.297SS..Hα-helixtrans-61-35.3-179.7-175.769.5000111.9I10 K11 E12 Y64L8-I10 PolarHBondContact O-N 2.77Å; L8-K11 HydrophobicContact CD1-CB 4.42Å; L8-K11 HydrophobicContact CD1-CD 4.47Å; L8-K11 PolarHBondContact O-N 3.11Å; L8-E12 HydrophobicContact CD1-CG 4.25Å; L8-E12 WeakPolarHBondContact CD2-OE1 3.12Å; L8-E12 HydrophobicContact CG-CG 4.33Å; L8-E12 WeakPolarHBondContact CG-OE1 3.1Å; L8-E12 PolarHBondContact O-N 2.94Å; L8-Y64 HydrophobicContact CB-CD1 3.78Å; L8-Y64 HydrophobicContact CB-CE1 4.09Å; L8-Y64 HydrophobicContact CD2-CD1 3.73Å; L8-Y64 HydrophobicContact CD2-CE1 3.59Å; L8-Y64 HydrophobicContact CG-CD1 3.77Å; L8-Y64 HydrophobicContact CG-CE1 3.57Å
9Y77.9Confident78Confident3 Ų360.4 Ų60.41%0.01229%0.289CS..Hα-helixtrans-51.1-38.2171.3164.6-97.9000113.4P7 Y14 W15 I16 I53 I71P7-Y9 PolarHBondContact O-N 3.18Å; Y9-Y14 VanDerWaalsContact CD2-CB 3.46Å; Y9-Y14 HydrophobicContact CD2-CD2 4.14Å; Y9-Y14 AromaticContact CD2-CG 3.82Å; Y9-Y14 HydrophobicContact CD2-CG 3.82Å; Y9-Y14 AromaticContact CE2-CG 3.98Å; Y9-Y14 HydrophobicContact CE2-CG 3.98Å; Y9-Y14 WeakPolarHBondContact O-CB 3.07Å; Y9-Y14 WeakPolarHBondContact O-CD2 3.06Å; Y9-Y14 PolarHBondContact O-N 2.87Å; Y9-W15 PolarHBondContact OH-O 3.38Å; Y9-I16 HydrophobicContact CE1-CG1 4.38Å; Y9-I53 HydrophobicContact CE2-CD1 4.47Å; Y9-I53 HydrophobicContact CE2-CG1 4.32Å; Y9-I53 WeakPolarHBondContact OH-CD1 3.46Å; Y9-I71 HydrophobicContact CD1-CG2 4.4Å; Y9-I71 HydrophobicContact CD2-CD1 3.76Å; Y9-I71 HydrophobicContact CE1-CG2 4.07Å; Y9-I71 HydrophobicContact CE2-CD1 4.1Å; Y9-I71 HydrophobicContact CE2-CG2 4.48Å; Y9-I71 HydrophobicContact CG-CD1 4.04Å
10I79.8Confident78.2Confident2 Ų257.8 Ų57.81%0.0128%0.277CS..Hα-helixtrans-79.8-39.1177-56.6-66.8000111.4L6 P7 L8 E12 E13 I16 F74 I127 L131L6-I10 HydrophobicContact CD1-CB 3.87Å; L6-I10 HydrophobicContact CD1-CG1 4.3Å; L6-I10 HydrophobicContact CD1-CG2 3.68Å; L6-I10 HydrophobicContact CD2-CB 4.49Å; L6-I10 HydrophobicContact CD2-CG2 4.15Å; L6-I10 HydrophobicContact CG-CB 4.04Å; L6-I10 HydrophobicContact CG-CG2 4.08Å; P7-I10 PolarHBondContact O-N 3.16Å; L8-I10 PolarHBondContact O-N 2.77Å; I10-E12 PolarHBondContact O-N 2.82Å; I10-E13 PolarHBondContact O-N 3.43Å; I10-E13 VanDerWaalsContact O-N 3.11Å; I10-I16 HydrophobicContact CD1-CD1 3.41Å; I10-I16 VanDerWaalsContact CD1-CD1 3.41Å; I10-I16 HydrophobicContact CD1-CG1 3.66Å; I10-I16 HydrophobicContact CG2-CD1 4.44Å; I10-F74 HydrophobicContact CD1-CE1 3.94Å; I10-F74 HydrophobicContact CD1-CZ 4.16Å; I10-F74 HydrophobicContact CG1-CE1 3.96Å; I10-F74 HydrophobicContact CG1-CZ 3.79Å; I10-I127 HydrophobicContact CG2-CD1 3.25Å; I10-L131 HydrophobicContact CD1-CD1 4.32Å; I10-L131 HydrophobicContact CG2-CD1 3.91Å
11K80.9Confident77.9Confident113 Ų11359.7 Ų59.749%0.49129%0.288SS..Hα-helixtrans-60.5-32.3177.8-70.2177.2178.1170.50112.3L6 P7 L8 E13L6-K11 HydrophobicContact CD2-CG 3.79Å; L6-K11 HydrophobicContact CG-CG 4.15Å; L6-K11 WeakPolarHBondContact O-CE 3.19Å; P7-K11 PolarHBondContact O-N 2.04Å; P7-K11 VanDerWaalsContact O-N 3.17Å; L8-K11 HydrophobicContact CD1-CB 4.42Å; L8-K11 HydrophobicContact CD1-CD 4.47Å; L8-K11 PolarHBondContact O-N 3.11Å; K11-E13 VanDerWaalsContact C-N 3.29Å; K11-E13 PolarHBondContact O-N 2.85Å
12E80.4Confident78.9Confident80 Ų8055 Ų5537%0.37427%0.27SS..THydrogen-bonded Turntrans-88.612.6178.3-65.1-172.7-15300113.9L8 I10 Y14 Y63 Y64L8-E12 HydrophobicContact CD1-CG 4.25Å; L8-E12 WeakPolarHBondContact CD2-OE1 3.12Å; L8-E12 HydrophobicContact CG-CG 4.33Å; L8-E12 WeakPolarHBondContact CG-OE1 3.1Å; L8-E12 PolarHBondContact O-N 2.94Å; I10-E12 PolarHBondContact O-N 2.82Å; E12-Y14 VanDerWaalsContact C-N 3.3Å; E12-Y14 HydrophobicContact CB-CD2 3.84Å; E12-Y14 HydrophobicContact CB-CE2 3.71Å; E12-Y14 PolarHBondContact O-N 3.39Å; E12-Y63 PolarHBondContact OE1-OH 3.33Å; E12-Y63 PolarHBondContact OE2-OH 3.21Å; E12-Y64 HydrophobicContact CG-CE1 4.49Å; E12-Y64 WeakPolarHBondContact OE1-CE1 3.3Å; E12-Y64 PolarHBondContact OE1-OH 2.89Å; E12-Y64 PolarHBondContact OE2-OH 2.94Å
13E78.3Confident79.8Confident130 Ų13055 Ų5561%0.60727%0.267SS*.THydrogen-bonded Turntrans58.931.1174.9-51.3-161.816400115.5I10 K11 P124I10-E13 PolarHBondContact O-N 3.43Å; I10-E13 VanDerWaalsContact O-N 3.11Å; K11-E13 VanDerWaalsContact C-N 3.29Å; K11-E13 PolarHBondContact O-N 2.85Å; E13-P124 HydrophobicContact CG-CB 3.89Å; E13-P124 HydrophobicContact CG-CG 3.67Å
14Y77.5Confident80.4Confident71 Ų7152 Ų5228%0.27825%0.251SS..  trans-62.1156.5172.1-79.1-86.2000112.2Y9 E12 I16 Q56 Y64Y9-Y14 VanDerWaalsContact CD2-CB 3.46Å; Y9-Y14 HydrophobicContact CD2-CD2 4.14Å; Y9-Y14 AromaticContact CD2-CG 3.82Å; Y9-Y14 HydrophobicContact CD2-CG 3.82Å; Y9-Y14 AromaticContact CE2-CG 3.98Å; Y9-Y14 HydrophobicContact CE2-CG 3.98Å; Y9-Y14 WeakPolarHBondContact O-CB 3.07Å; Y9-Y14 WeakPolarHBondContact O-CD2 3.06Å; Y9-Y14 PolarHBondContact O-N 2.87Å; E12-Y14 VanDerWaalsContact C-N 3.3Å; E12-Y14 HydrophobicContact CB-CD2 3.84Å; E12-Y14 HydrophobicContact CB-CE2 3.71Å; E12-Y14 PolarHBondContact O-N 3.39Å; Y14-I16 PolarHBondContact O-N 3.22Å; Y14-Q56 PolarHBondContact OH-NE2 3.44Å; Y14-Y64 HydrophobicContact CD2-CE2 4.11Å; Y14-Y64 AromaticContact CE2-CE2 3.56Å; Y14-Y64 HydrophobicContact CE2-CE2 3.56Å; Y14-Y64 AromaticContact CE2-CZ 3.47Å; Y14-Y64 VanDerWaalsContact CE2-CZ 3.47Å; Y14-Y64 WeakPolarHBondContact CE2-OH 3.4Å; Y14-Y64 AromaticContact CZ-CE2 3.89Å; Y14-Y64 PolarHBondContact OH-OH 2.82Å
15W78.6Confident80.8Confident40 Ų4049.7 Ų49.715%0.15225%0.246CC..  trans-58.2127.4178.9163.170.1000110.9Y9 P17 E43 D44 K47 I51 I53Y9-W15 PolarHBondContact OH-O 3.38Å; W15-P17 HydrophobicContact CH2-CB 4.21Å; W15-P17 HydrophobicContact CH2-CG 3.76Å; W15-P17 VanDerWaalsContact CZ2-CA 3.45Å; W15-P17 HydrophobicContact CZ2-CB 3.94Å; W15-P17 HydrophobicContact CZ2-CG 3.92Å; W15-P17 HydrophobicContact CZ3-CG 4.35Å; W15-E43 HydrophobicContact CH2-CB 4.38Å; W15-E43 HydrophobicContact CH2-CG 4.35Å; W15-E43 HydrophobicContact CZ2-CB 4.29Å; W15-E43 HydrophobicContact CZ2-CG 3.8Å; W15-E43 VanDerWaalsContact CZ2-OE1 3.27Å; W15-E43 WeakPolarHBondContact CZ2-OE1 3.46Å; W15-D44 HydrophobicContact CH2-CB 3.9Å; W15-D44 HydrophobicContact CZ3-CB 3.88Å; W15-D44 WeakPolarHBondContact CZ3-OD1 3.44Å; W15-K47 HydrophobicContact CD2-CD 4.2Å; W15-K47 HydrophobicContact CD2-CG 4.02Å; W15-K47 HydrophobicContact CE3-CG 4.13Å; W15-K47 HydrophobicContact CH2-CG 3.95Å; W15-K47 HydrophobicContact CZ2-CD 4.01Å; W15-K47 HydrophobicContact CZ2-CG 3.82Å; W15-K47 HydrophobicContact CZ3-CG 4.1Å; W15-I51 HydrophobicContact CB-CG2 3.3Å; W15-I51 HydrophobicContact CD2-CG2 4.27Å; W15-I51 HydrophobicContact CG-CG2 3.66Å; W15-I53 HydrophobicContact CE3-CD1 3.86Å; W15-I53 HydrophobicContact CE3-CG1 3.75Å; W15-I53 HydrophobicContact CZ3-CD1 3.53Å; W15-I53 HydrophobicContact CZ3-CG1 3.7Å
16I78.9Confident81Confident22 Ų2247.4 Ų47.411%0.11324%0.239CC..  trans-107.2137.4173.8-68.4157.7000107.5Y9 I10 Y14 D18 L20 I127Y9-I16 HydrophobicContact CE1-CG1 4.38Å; I10-I16 HydrophobicContact CD1-CD1 3.41Å; I10-I16 VanDerWaalsContact CD1-CD1 3.41Å; I10-I16 HydrophobicContact CD1-CG1 3.66Å; I10-I16 HydrophobicContact CG2-CD1 4.44Å; Y14-I16 PolarHBondContact O-N 3.22Å; I16-D18 PolarHBondContact O-N 3.34Å; I16-L20 HydrophobicContact CG2-CB 4.29Å; I16-L20 HydrophobicContact CG2-CD2 3.47Å; I16-L20 VanDerWaalsContact CG2-CD2 3.47Å; I16-I127 HydrophobicContact CD1-CB 4.27Å; I16-I127 HydrophobicContact CD1-CD1 3.67Å; I16-I127 HydrophobicContact CD1-CG1 4.45Å; I16-I127 HydrophobicContact CD1-CG2 3.45Å; I16-I127 VanDerWaalsContact CD1-CG2 3.45Å
17P83Confident81.3Confident3 Ų353.2 Ų53.22%0.01927%0.266CS..  trans-54.6127.7178.8-26.434.4000112.5W15 I19 L20 F40 E43 L75W15-P17 HydrophobicContact CH2-CB 4.21Å; W15-P17 HydrophobicContact CH2-CG 3.76Å; W15-P17 VanDerWaalsContact CZ2-CA 3.45Å; W15-P17 HydrophobicContact CZ2-CB 3.94Å; W15-P17 HydrophobicContact CZ2-CG 3.92Å; W15-P17 HydrophobicContact CZ3-CG 4.35Å; P17-I19 HydrophobicContact CB-CG2 3.78Å; P17-I19 PolarHBondContact O-N 3.3Å; P17-L20 WeakPolarHBondContact O-CB 3.28Å; P17-L20 PolarHBondContact O-N 3.23Å; P17-F40 HydrophobicContact CB-CD1 3.62Å; P17-F40 HydrophobicContact CB-CE1 3.92Å; P17-F40 HydrophobicContact CG-CD1 3.74Å; P17-F40 HydrophobicContact CG-CE1 4.19Å; P17-E43 WeakPolarHBondContact CA-OE2 3.39Å; P17-E43 WeakPolarHBondContact CB-OE2 3.45Å; P17-L75 HydrophobicContact CG-CD1 3.92Å
18D82.1Confident81.5Confident92 Ų9253.2 Ų53.249%0.49227%0.266SS..THydrogen-bonded Turntrans-61.1-28.3175.4-65.1-47.1000110.1I16 L20 I21 E43 K47I16-D18 PolarHBondContact O-N 3.34Å; D18-L20 PolarHBondContact O-N 3.15Å; D18-I21 VanDerWaalsContact O-CB 3.29Å; D18-I21 WeakPolarHBondContact O-CB 2.98Å; D18-I21 PolarHBondContact O-N 2.95Å; D18-E43 WeakPolarHBondContact CB-OE1 3.47Å; D18-E43 VanDerWaalsContact N-CD 3.31Å; D18-E43 PolarHBondContact N-OE1 3.33Å; D18-E43 PolarHBondContact N-OE2 3.16Å; D18-K47 IonicContact OD2-NZ 2.7Å; D18-K47 PolarHBondContact OD2-NZ 2.86Å
19I80Confident81.4Confident28 Ų2854.7 Ų54.714%0.14428%0.278CS..Hα-helixtrans-62-23174.4-152.6117.1000113.3P17 I21 T22 I23 E39 F40 E43P17-I19 HydrophobicContact CB-CG2 3.78Å; P17-I19 PolarHBondContact O-N 3.3Å; I19-I21 PolarHBondContact O-N 3.15Å; I19-T22 WeakPolarHBondContact CA-OG1 3.3Å; I19-T22 PolarHBondContact O-N 3.08Å; I19-T22 PolarHBondContact O-OG1 2.96Å; I19-I23 HydrophobicContact CD1-CD1 3.6Å; I19-I23 HydrophobicContact CD1-CG1 4.22Å; I19-I23 HydrophobicContact CG1-CB 4.11Å; I19-I23 HydrophobicContact CG1-CD1 3.38Å; I19-I23 HydrophobicContact CG1-CG1 3.66Å; I19-I23 PolarHBondContact O-N 2.03Å; I19-E39 HydrophobicContact CD1-CB 3.77Å; I19-E39 HydrophobicContact CD1-CG 4.22Å; I19-E39 WeakPolarHBondContact CD1-OE2 3.44Å; I19-E39 HydrophobicContact CG1-CB 3.95Å; I19-F40 HydrophobicContact CG2-CD1 3.24Å; I19-F40 HydrophobicContact CG2-CE1 3.39Å; I19-F40 HydrophobicContact CG2-CG 4.31Å; I19-E43 WeakPolarHBondContact CB-OE2 3.47Å; I19-E43 WeakPolarHBondContact CG2-OE2 3.45Å; I19-E43 PolarHBondContact N-OE2 2.9Å
20L81.4Confident81.6Confident8 Ų861.4 Ų61.44%0.04231%0.31CS..Hα-helixtrans-60.9-30.7171.1-169.976.7000111I16 P17 D18 C24 F40 I78 C79 L82I16-L20 HydrophobicContact CG2-CB 4.29Å; I16-L20 HydrophobicContact CG2-CD2 3.47Å; I16-L20 VanDerWaalsContact CG2-CD2 3.47Å; P17-L20 WeakPolarHBondContact O-CB 3.28Å; P17-L20 PolarHBondContact O-N 3.23Å; D18-L20 PolarHBondContact O-N 3.15Å; L20-C24 HydrophobicContact CD1-CB 4.39Å; L20-C24 VanDerWaalsContact O-CB 3.23Å; L20-C24 WeakPolarHBondContact O-CB 3.37Å; L20-F40 HydrophobicContact CB-CE1 4.18Å; L20-F40 HydrophobicContact CD1-CE1 4.15Å; L20-F40 HydrophobicContact CD1-CZ 3.78Å; L20-I78 HydrophobicContact CD1-CG2 4.09Å; L20-I78 HydrophobicContact CD2-CG2 4.42Å; L20-C79 HydrophobicContact CD1-CB 4.4Å; L20-L82 HydrophobicContact CG-CD1 4.47Å
21I73.2Confident81.8Confident98 Ų9863.7 Ų63.750%0.50332%0.319SS..Hα-helixtrans-76.9-40.5179-57.4175.8000110.1D18 I19D18-I21 VanDerWaalsContact O-CB 3.29Å; D18-I21 WeakPolarHBondContact O-CB 2.98Å; D18-I21 PolarHBondContact O-N 2.95Å; I19-I21 PolarHBondContact O-N 3.15Å
22T79.3Confident82.2Confident91 Ų9160.8 Ų60.856%0.55831%0.314SS*.Hα-helixtrans-89.9-43.4-170.158.90000114.2I19I19-T22 WeakPolarHBondContact CA-OG1 3.3Å; I19-T22 PolarHBondContact O-N 3.08Å; I19-T22 PolarHBondContact O-OG1 2.96Å
23I85.8Confident82.5Confident20 Ų2061.2 Ų61.210%0.10332%0.318CS..THydrogen-bonded Turntrans-91.9-25.8-175.4-67.8-173.2000112.2I19 V25 A28 K31 I36 E39I19-I23 HydrophobicContact CD1-CD1 3.6Å; I19-I23 HydrophobicContact CD1-CG1 4.22Å; I19-I23 HydrophobicContact CG1-CB 4.11Å; I19-I23 HydrophobicContact CG1-CD1 3.38Å; I19-I23 HydrophobicContact CG1-CG1 3.66Å; I19-I23 PolarHBondContact O-N 2.03Å; I23-V25 PolarHBondContact O-N 2.84Å; I23-A28 WeakPolarHBondContact O-CB 3.07Å; I23-K31 HydrophobicContact CG2-CB 4.25Å; I23-K31 HydrophobicContact CG2-CG 4.13Å; I23-I36 HydrophobicContact CG2-CG1 4.31Å; I23-E39 HydrophobicContact CD1-CB 4.2Å; I23-E39 HydrophobicContact CD1-CG 3.74Å
24C88.4Confident83Confident1 Ų161.2 Ų61.21%0.00732%0.321CS..SBendtrans-89.564.7-179.7-47.90000111.1L20 C79 L82 K130L20-C24 HydrophobicContact CD1-CB 4.39Å; L20-C24 VanDerWaalsContact O-CB 3.23Å; L20-C24 WeakPolarHBondContact O-CB 3.37Å; C24-C79 HydrophobicContact CB-CB 3.84Å; C24-C79 WeakPolarHBondContact CB-SG 3.47Å; C24-C79 WeakPolarHBondContact SG-CA 2.91Å; C24-C79 WeakPolarHBondContact SG-CB 3.45Å; C24-C79 CovalentContact SG-SG 2.03Å; C24-C79 PolarHBondContact SG-SG 3.41Å; C24-L82 HydrophobicContact CB-CB 4.12Å; C24-L82 HydrophobicContact CB-CD1 3.97Å; C24-L82 WeakPolarHBondContact O-CB 3.19Å; C24-K130 WeakPolarHBondContact O-CE 3.39Å; C24-K130 PolarHBondContact O-NZ 3.34Å
25V88Confident83.6Confident35 Ų3560.5 Ų60.521%0.21232%0.322CS..SBendtrans-128.4148176-63.20000109.7I23 E27 A28I23-V25 PolarHBondContact O-N 2.84Å; V25-E27 WeakPolarHBondContact CB-OE2 3.26Å; V25-E27 HydrophobicContact CG2-CB 4.49Å; V25-E27 PolarHBondContact O-N 2.96Å; V25-A28 HydrophobicContact CG2-CB 3.87Å; V25-A28 PolarHBondContact O-N 3Å; V25-A28 VanDerWaalsContact O-N 3.07Å
26P86.4Confident84.1Confident48 Ų4858.7 Ų58.731%0.31232%0.315SS..THydrogen-bonded Turntrans-52.9-29.6-178.6-2735.2000114.4T29 K84P26-T29 WeakPolarHBondContact O-CG2 3.28Å; P26-K84 HydrophobicContact CG-CD 4.28Å; P26-K84 HydrophobicContact CG-CG 4.3Å
27E87.2Confident84.7Confident145 Ų14560.6 Ų60.668%0.67833%0.325SS*.THydrogen-bonded Turntrans-77.1-18.1-176.6-58.473.5-158.800113.4V25 T29V25-E27 WeakPolarHBondContact CB-OE2 3.26Å; V25-E27 HydrophobicContact CG2-CB 4.49Å; V25-E27 PolarHBondContact O-N 2.96Å; E27-T29 PolarHBondContact O-N 2.77Å
28A84.5Confident85.1Confident8 Ų866.8 Ų66.87%0.06635%0.349CS..  trans-80.346.1-17800000112.8I23 V25 H30 K31 R83I23-A28 WeakPolarHBondContact O-CB 3.07Å; V25-A28 HydrophobicContact CG2-CB 3.87Å; V25-A28 PolarHBondContact O-N 3Å; V25-A28 VanDerWaalsContact O-N 3.07Å; A28-H30 VanDerWaalsContact C-N 3.28Å; A28-H30 PolarHBondContact O-N 3.13Å; A28-K31 PolarHBondContact O-N 3.13Å; A28-R83 VanDerWaalsContact O-CZ 3.3Å; A28-R83 PolarHBondContact O-NH2 3.34Å
29T77.3Confident85.4Confident110 Ų11064.6 Ų64.668%0.67534%0.336SS*.THydrogen-bonded Turntrans-65.6-28.2-175.854.80000113.7P26 E27 K31 R83P26-T29 WeakPolarHBondContact O-CG2 3.28Å; E27-T29 PolarHBondContact O-N 2.77Å; T29-K31 VanDerWaalsContact C-N 3.29Å; T29-K31 PolarHBondContact O-N 3.41Å; T29-R83 PolarHBondContact O-NH2 3.5Å
30H82.3Confident85.9Confident144 Ų14463.6 Ų63.667%0.66733%0.33SS*.THydrogen-bonded Turntrans-73.7-14-178.262.6-84000114.4A28A28-H30 VanDerWaalsContact C-N 3.28Å; A28-H30 PolarHBondContact O-N 3.13Å
31K85Confident86.3Confident50 Ų5065.3 Ų65.322%0.21734%0.341CS..  trans-85.4117.9177.5-67.3-74.5-172.8163.10109.6I23 A28 T29 D35 E39 R83I23-K31 HydrophobicContact CG2-CB 4.25Å; I23-K31 HydrophobicContact CG2-CG 4.13Å; A28-K31 PolarHBondContact O-N 3.13Å; T29-K31 VanDerWaalsContact C-N 3.29Å; T29-K31 PolarHBondContact O-N 3.41Å; K31-D35 HydrophobicContact CB-CB 4.27Å; K31-D35 HydrophobicContact CD-CB 3.85Å; K31-E39 IonicContact NZ-OE1 2.97Å; K31-E39 PolarHBondContact NZ-OE1 2.97Å; K31-R83 PolarHBondContact O-NH1 3.38Å; K31-R83 PolarHBondContact O-NH2 3.31Å
32S87.8Confident87.1Confident53 Ų5363.5 Ų63.537%0.37133%0.33SS..  trans-71.5170.1174.773.30000111.6I34 D35 I36S32-I34 PolarHBondContact O-N 3.01Å; S32-I34 PolarHBondContact OG-N 3.17Å; S32-D35 WeakPolarHBondContact CA-OD2 3.35Å; S32-D35 VanDerWaalsContact CB-OD2 3.3Å; S32-D35 WeakPolarHBondContact CB-OD2 3.37Å; S32-D35 PolarHBondContact N-OD2 3.3Å; S32-D35 PolarHBondContact O-N 3.37Å; S32-D35 VanDerWaalsContact OG-CG 3.26Å; S32-D35 PolarHBondContact OG-N 3.14Å; S32-D35 PolarHBondContact OG-OD2 3.21Å; S32-I36 PolarHBondContact O-N 3.16Å; S32-I36 VanDerWaalsContact O-N 3.16Å
33L88.1Confident87.6Confident89 Ų8960.3 Ų60.347%0.46631%0.309SS..Hα-helixtrans-59.6-35.3171.7178.162000111.9D35 I36 I37 I76L33-D35 VanDerWaalsContact C-N 3.34Å; L33-I36 PolarHBondContact O-N 3.08Å; L33-I37 HydrophobicContact CD1-CD1 4.33Å; L33-I37 HydrophobicContact CG-CD1 4.02Å; L33-I37 WeakPolarHBondContact O-CG1 3.35Å; L33-I37 PolarHBondContact O-N 2.94Å; L33-I76 HydrophobicContact CD1-CG2 3.51Å
34I89.2Confident87.7Confident129 Ų12959.4 Ų59.466%0.66231%0.305SS*.Hα-helixtrans-65.6-41.7178.5-62170.9000109.9S32 I36 I37 Y38S32-I34 PolarHBondContact O-N 3.01Å; S32-I34 PolarHBondContact OG-N 3.17Å; I34-I36 PolarHBondContact O-N 3.01Å; I34-I37 PolarHBondContact O-N 3.43Å; I34-Y38 WeakPolarHBondContact O-CB 3.27Å; I34-Y38 PolarHBondContact O-N 2.48Å
35D89.8Confident87.7Confident57 Ų5766.9 Ų66.931%0.30533%0.334SS..Hα-helixtrans-61.6-45.2176.5-58-56.1000110.7K31 S32 L33 I37 Y38 E39K31-D35 HydrophobicContact CB-CB 4.27Å; K31-D35 HydrophobicContact CD-CB 3.85Å; S32-D35 WeakPolarHBondContact CA-OD2 3.35Å; S32-D35 VanDerWaalsContact CB-OD2 3.3Å; S32-D35 WeakPolarHBondContact CB-OD2 3.37Å; S32-D35 PolarHBondContact N-OD2 3.3Å; S32-D35 PolarHBondContact O-N 3.37Å; S32-D35 VanDerWaalsContact OG-CG 3.26Å; S32-D35 PolarHBondContact OG-N 3.14Å; S32-D35 PolarHBondContact OG-OD2 3.21Å; L33-D35 VanDerWaalsContact C-N 3.34Å; D35-I37 VanDerWaalsContact C-N 3.34Å; D35-I37 PolarHBondContact O-N 3.44Å; D35-Y38 PolarHBondContact O-N 3.16Å; D35-E39 WeakPolarHBondContact O-CB 3.42Å; D35-E39 WeakPolarHBondContact O-CG 3.48Å; D35-E39 PolarHBondContact O-N 2.98Å
36I89.1Confident87.7Confident2 Ų271.8 Ų71.81%0.0135%0.354CS..Hα-helixtrans-58.9-46.4177.5-67.4166.6000111.3I23 S32 L33 I34 F40 I76 C79 R83I23-I36 HydrophobicContact CG2-CG1 4.31Å; S32-I36 PolarHBondContact O-N 3.16Å; S32-I36 VanDerWaalsContact O-N 3.16Å; L33-I36 PolarHBondContact O-N 3.08Å; I34-I36 PolarHBondContact O-N 3.01Å; I36-F40 HydrophobicContact CG2-CD2 3.57Å; I36-F40 HydrophobicContact CG2-CE2 3.23Å; I36-F40 HydrophobicContact CG2-CZ 4.06Å; I36-F40 VanDerWaalsContact O-CD2 3.25Å; I36-F40 WeakPolarHBondContact O-CD2 3.41Å; I36-F40 WeakPolarHBondContact O-CG 3.23Å; I36-F40 PolarHBondContact O-N 3Å; I36-F40 VanDerWaalsContact O-N 3.07Å; I36-I76 HydrophobicContact CG2-CG1 4.2Å; I36-C79 HydrophobicContact CG2-CB 4.41Å; I36-R83 VanDerWaalsContact CD1-NH1 3.29Å
37I90.4Very high87.7Confident61 Ų6171.9 Ų71.931%0.31335%0.35SS..Hα-helixtrans-60.4-50.3178.5-69.7163.7000110L33 I34 D35 E39 F40 T41 L72 I76L33-I37 HydrophobicContact CD1-CD1 4.33Å; L33-I37 HydrophobicContact CG-CD1 4.02Å; L33-I37 WeakPolarHBondContact O-CG1 3.35Å; L33-I37 PolarHBondContact O-N 2.94Å; I34-I37 PolarHBondContact O-N 3.43Å; D35-I37 VanDerWaalsContact C-N 3.34Å; D35-I37 PolarHBondContact O-N 3.44Å; I37-E39 PolarHBondContact O-N 2.91Å; I37-F40 PolarHBondContact O-N 2.91Å; I37-T41 HydrophobicContact CG2-CG2 4.36Å; I37-T41 VanDerWaalsContact O-CG2 3.28Å; I37-T41 WeakPolarHBondContact O-CG2 3.38Å; I37-T41 PolarHBondContact O-N 3.38Å; I37-T41 PolarHBondContact O-OG1 2.94Å; I37-T41 VanDerWaalsContact O-OG1 3.09Å; I37-L72 HydrophobicContact CG2-CD2 4.46Å; I37-I76 HydrophobicContact CD1-CD1 4.26Å; I37-I76 HydrophobicContact CG1-CD1 3.58Å; I37-I76 HydrophobicContact CG1-CG1 4.38Å
38Y91.1Very high87.5Confident133 Ų13369 Ų6952%0.52234%0.342SS..Hα-helixtrans-57-51.6-179.3176.2-102.1000111.2I34 D35 F40 T41 Q42I34-Y38 WeakPolarHBondContact O-CB 3.27Å; I34-Y38 PolarHBondContact O-N 2.48Å; D35-Y38 PolarHBondContact O-N 3.16Å; Y38-F40 PolarHBondContact O-N 3.44Å; Y38-T41 PolarHBondContact O-N 2.81Å; Y38-T41 PolarHBondContact O-OG1 3.22Å; Y38-Q42 VanDerWaalsContact O-CB 3.28Å; Y38-Q42 WeakPolarHBondContact O-CB 3.49Å; Y38-Q42 PolarHBondContact O-N 2.88Å
39E89.9Confident87.2Confident47 Ų4775.5 Ų75.522%0.2237%0.366CS..Hα-helixtrans-61.7-43.5-177.4-62.3-85.8-161.800111.7I19 I23 K31 D35 I37 Q42 E43I19-E39 HydrophobicContact CD1-CB 3.77Å; I19-E39 HydrophobicContact CD1-CG 4.22Å; I19-E39 WeakPolarHBondContact CD1-OE2 3.44Å; I19-E39 HydrophobicContact CG1-CB 3.95Å; I23-E39 HydrophobicContact CD1-CB 4.2Å; I23-E39 HydrophobicContact CD1-CG 3.74Å; K31-E39 IonicContact NZ-OE1 2.97Å; K31-E39 PolarHBondContact NZ-OE1 2.97Å; D35-E39 WeakPolarHBondContact O-CB 3.42Å; D35-E39 WeakPolarHBondContact O-CG 3.48Å; D35-E39 PolarHBondContact O-N 2.98Å; I37-E39 PolarHBondContact O-N 2.91Å; E39-Q42 PolarHBondContact O-N 2.97Å; E39-E43 WeakPolarHBondContact O-CB 3.32Å; E39-E43 PolarHBondContact O-N 3.37Å
40F90.5Very high87.1Confident6 Ų675.1 Ų75.13%0.02637%0.368CS..Hα-helixtrans-62.5-44.6174.4-74.1-39.8000112.5P17 I19 L20 I36 I37 Y38 D44 L72 L75 I76 C79P17-F40 HydrophobicContact CB-CD1 3.62Å; P17-F40 HydrophobicContact CB-CE1 3.92Å; P17-F40 HydrophobicContact CG-CD1 3.74Å; P17-F40 HydrophobicContact CG-CE1 4.19Å; I19-F40 HydrophobicContact CG2-CD1 3.24Å; I19-F40 HydrophobicContact CG2-CE1 3.39Å; I19-F40 HydrophobicContact CG2-CG 4.31Å; L20-F40 HydrophobicContact CB-CE1 4.18Å; L20-F40 HydrophobicContact CD1-CE1 4.15Å; L20-F40 HydrophobicContact CD1-CZ 3.78Å; I36-F40 HydrophobicContact CG2-CD2 3.57Å; I36-F40 HydrophobicContact CG2-CE2 3.23Å; I36-F40 HydrophobicContact CG2-CZ 4.06Å; I36-F40 VanDerWaalsContact O-CD2 3.25Å; I36-F40 WeakPolarHBondContact O-CD2 3.41Å; I36-F40 WeakPolarHBondContact O-CG 3.23Å; I36-F40 PolarHBondContact O-N 3Å; I36-F40 VanDerWaalsContact O-N 3.07Å; I37-F40 PolarHBondContact O-N 2.91Å; Y38-F40 PolarHBondContact O-N 3.44Å; F40-D44 PolarHBondContact O-N 3.05Å; F40-D44 VanDerWaalsContact O-N 3.13Å; F40-L72 HydrophobicContact CB-CD1 3.85Å; F40-L72 HydrophobicContact CD2-CD1 4.11Å; F40-L72 HydrophobicContact CG-CD1 4.4Å; F40-L75 HydrophobicContact CD2-CB 4.26Å; F40-L75 HydrophobicContact CE2-CB 3.9Å; F40-L75 HydrophobicContact CZ-CB 4.12Å; F40-I76 HydrophobicContact CD2-CG1 4.27Å; F40-I76 HydrophobicContact CE2-CG1 4.25Å; F40-C79 HydrophobicContact CE2-CB 4.35Å; F40-C79 HydrophobicContact CZ-CB 4.2Å
41T89.5Confident87Confident45 Ų4571.8 Ų71.828%0.27636%0.355SS..Hα-helixtrans-70.1-33.7-179.559.10000113I37 Y38 Y45 Y68 L72I37-T41 HydrophobicContact CG2-CG2 4.36Å; I37-T41 VanDerWaalsContact O-CG2 3.28Å; I37-T41 WeakPolarHBondContact O-CG2 3.38Å; I37-T41 PolarHBondContact O-N 3.38Å; I37-T41 PolarHBondContact O-OG1 2.94Å; I37-T41 VanDerWaalsContact O-OG1 3.09Å; Y38-T41 PolarHBondContact O-N 2.81Å; Y38-T41 PolarHBondContact O-OG1 3.22Å; T41-Y45 WeakPolarHBondContact O-CB 3.4Å; T41-Y45 PolarHBondContact O-N 3.35Å; T41-Y68 WeakPolarHBondContact CG2-OH 3.37Å; T41-L72 HydrophobicContact CG2-CD2 4.19Å
42Q90.5Very high86.9Confident59 Ų5969.4 Ų69.428%0.27634%0.344SS..Hα-helixtrans-70.4-44177.6-17759.924.800110.5Y38 E39 D44 Y45 E46Y38-Q42 VanDerWaalsContact O-CB 3.28Å; Y38-Q42 WeakPolarHBondContact O-CB 3.49Å; Y38-Q42 PolarHBondContact O-N 2.88Å; E39-Q42 PolarHBondContact O-N 2.97Å; Q42-D44 VanDerWaalsContact C-N 3.33Å; Q42-D44 PolarHBondContact O-N 3.47Å; Q42-Y45 WeakPolarHBondContact O-CB 3.44Å; Q42-Y45 PolarHBondContact O-N 3.42Å; Q42-E46 PolarHBondContact NE2-OE1 3.18Å; Q42-E46 PolarHBondContact O-N 2.86Å
43E89.4Confident86.5Confident24 Ų2467.2 Ų67.211%0.11233%0.328CS..Hα-helixtrans-61.8-42.2176.3-160.3-172.5148.700111.2W15 P17 D18 I19 E39 Y45 E46 K47W15-E43 HydrophobicContact CH2-CB 4.38Å; W15-E43 HydrophobicContact CH2-CG 4.35Å; W15-E43 HydrophobicContact CZ2-CB 4.29Å; W15-E43 HydrophobicContact CZ2-CG 3.8Å; W15-E43 VanDerWaalsContact CZ2-OE1 3.27Å; W15-E43 WeakPolarHBondContact CZ2-OE1 3.46Å; P17-E43 WeakPolarHBondContact CA-OE2 3.39Å; P17-E43 WeakPolarHBondContact CB-OE2 3.45Å; D18-E43 WeakPolarHBondContact CB-OE1 3.47Å; D18-E43 VanDerWaalsContact N-CD 3.31Å; D18-E43 PolarHBondContact N-OE1 3.33Å; D18-E43 PolarHBondContact N-OE2 3.16Å; I19-E43 WeakPolarHBondContact CB-OE2 3.47Å; I19-E43 WeakPolarHBondContact CG2-OE2 3.45Å; I19-E43 PolarHBondContact N-OE2 2.9Å; E39-E43 WeakPolarHBondContact O-CB 3.32Å; E39-E43 PolarHBondContact O-N 3.37Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; E43-Y45 PolarHBondContact O-N 3.44Å; E43-E46 PolarHBondContact O-N 2.9Å; E43-K47 WeakPolarHBondContact O-CG 3.39Å; E43-K47 PolarHBondContact O-N 3.33Å; E43-K47 WeakPolarHBondContact OE1-CE 3.34Å; E43-K47 IonicContact OE1-NZ 3.12Å; E43-K47 PolarHBondContact OE1-NZ 2.93Å
44D87.9Confident86.2Confident2 Ų267.6 Ų67.61%0.01132%0.323CS..Hα-helixtrans-64.1-36.4176-17652.4000112.9W15 F40 Q42 E46 K47 S52 I53 R54W15-D44 HydrophobicContact CH2-CB 3.9Å; W15-D44 HydrophobicContact CZ3-CB 3.88Å; W15-D44 WeakPolarHBondContact CZ3-OD1 3.44Å; F40-D44 PolarHBondContact O-N 3.05Å; F40-D44 VanDerWaalsContact O-N 3.13Å; Q42-D44 VanDerWaalsContact C-N 3.33Å; Q42-D44 PolarHBondContact O-N 3.47Å; D44-E46 VanDerWaalsContact C-N 3.28Å; D44-E46 PolarHBondContact O-N 2.93Å; D44-K47 PolarHBondContact O-N 2.84Å; D44-S52 PolarHBondContact O-OG 3.2Å; D44-S52 VanDerWaalsContact OD1-CA 3.23Å; D44-S52 WeakPolarHBondContact OD1-CA 3.37Å; D44-S52 PolarHBondContact OD1-OG 2.92Å; D44-S52 PolarHBondContact OD2-OG 3.46Å; D44-I53 WeakPolarHBondContact OD1-CB 3.35Å; D44-I53 PolarHBondContact OD1-N 3.02Å; D44-R54 WeakPolarHBondContact OD2-CB 3.39Å; D44-R54 PolarHBondContact OD2-N 2.97Å
45Y87.9Confident85.7Confident158 Ų15862.4 Ų62.462%0.6230%0.297SS*.Hα-helixtrans-62.8-35.9176.7179.8-95.5000112.3T41 Q42 E43T41-Y45 WeakPolarHBondContact O-CB 3.4Å; T41-Y45 PolarHBondContact O-N 3.35Å; Q42-Y45 WeakPolarHBondContact O-CB 3.44Å; Q42-Y45 PolarHBondContact O-N 3.42Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; E43-Y45 PolarHBondContact O-N 3.44Å
46E89Confident85Confident137 Ų13761 Ų6164%0.6429%0.288SS*.Hα-helixtrans-79.7-13.9-179.7-68.8176.2-169.600113.6Q42 E43 D44Q42-E46 PolarHBondContact NE2-OE1 3.18Å; Q42-E46 PolarHBondContact O-N 2.86Å; E43-E46 PolarHBondContact O-N 2.9Å; D44-E46 VanDerWaalsContact C-N 3.28Å; D44-E46 PolarHBondContact O-N 2.93Å
47K85.9Confident84.4Confident51 Ų5162.6 Ų62.622%0.22230%0.295CS..SBendtrans-71.1151.5177.3-62.3-62.9155.9157.80111.7W15 D18 E43 D44W15-K47 HydrophobicContact CD2-CD 4.2Å; W15-K47 HydrophobicContact CD2-CG 4.02Å; W15-K47 HydrophobicContact CE3-CG 4.13Å; W15-K47 HydrophobicContact CH2-CG 3.95Å; W15-K47 HydrophobicContact CZ2-CD 4.01Å; W15-K47 HydrophobicContact CZ2-CG 3.82Å; W15-K47 HydrophobicContact CZ3-CG 4.1Å; D18-K47 IonicContact OD2-NZ 2.7Å; D18-K47 PolarHBondContact OD2-NZ 2.86Å; E43-K47 WeakPolarHBondContact O-CG 3.39Å; E43-K47 PolarHBondContact O-N 3.33Å; E43-K47 WeakPolarHBondContact OE1-CE 3.34Å; E43-K47 IonicContact OE1-NZ 3.12Å; E43-K47 PolarHBondContact OE1-NZ 2.93Å; D44-K47 PolarHBondContact O-N 2.84Å
48T82.7Confident83.7Confident84 Ų8464.5 Ų64.552%0.51531%0.31SS..  trans-61.9157175.158.90000111.3S50 I51 S52T48-S50 PolarHBondContact O-N 2.91Å; T48-S50 VanDerWaalsContact O-N 3.09Å; T48-I51 PolarHBondContact O-N 3.48Å; T48-I51 WeakPolarHBondContact OG1-CD1 3.43Å; T48-S52 PolarHBondContact O-N 2.96Å
49Y78.4Confident82.6Confident144 Ų14462.3 Ų62.357%0.56531%0.308SS*.THydrogen-bonded Turntrans-54.3-32.9-175.1-175.8-101.7000114.6N55 N59Y49-N55 HydrophobicContact CD2-CB 3.81Å; Y49-N55 HydrophobicContact CE2-CB 4.03Å; Y49-N55 HydrophobicContact CG-CB 4.44Å; Y49-N55 WeakPolarHBondContact O-CB 3.38Å; Y49-N59 WeakPolarHBondContact CE1-ND2 3.48Å; Y49-N59 PolarHBondContact OH-ND2 3.14Å; Y49-N59 PolarHBondContact OH-OD1 2.79Å
50S75.7Confident81.7Confident102 Ų10262.9 Ų62.971%0.71331%0.314SS*.THydrogen-bonded Turntrans-81-14.618055.80000114.9T48T48-S50 PolarHBondContact O-N 2.91Å; T48-S50 VanDerWaalsContact O-N 3.09Å
51I78.6Confident80.4Confident75 Ų7565.7 Ų65.739%0.38535%0.345SS..THydrogen-bonded Turntrans-114.4-27.6-173.5-56.3175.4000111.4W15 T48 I53W15-I51 HydrophobicContact CB-CG2 3.3Å; W15-I51 HydrophobicContact CD2-CG2 4.27Å; W15-I51 HydrophobicContact CG-CG2 3.66Å; T48-I51 PolarHBondContact O-N 3.48Å; T48-I51 WeakPolarHBondContact OG1-CD1 3.43Å; I51-I53 PolarHBondContact O-N 3.11Å
52S82.5Confident78.8Confident0 Ų069.9 Ų69.90%037%0.366CS..  trans-59.6125.2177.6167.10000111.1D44 T48 R54 N55 Q56D44-S52 PolarHBondContact O-OG 3.2Å; D44-S52 VanDerWaalsContact OD1-CA 3.23Å; D44-S52 WeakPolarHBondContact OD1-CA 3.37Å; D44-S52 PolarHBondContact OD1-OG 2.92Å; D44-S52 PolarHBondContact OD2-OG 3.46Å; T48-S52 PolarHBondContact O-N 2.96Å; S52-R54 VanDerWaalsContact C-N 3.33Å; S52-R54 PolarHBondContact O-N 2.96Å; S52-R54 PolarHBondContact OG-N 3.14Å; S52-N55 WeakPolarHBondContact CB-ND2 3.43Å; S52-N55 PolarHBondContact O-N 2.96Å; S52-N55 PolarHBondContact OG-N 3.46Å; S52-N55 PolarHBondContact OG-ND2 3.16Å; S52-Q56 WeakPolarHBondContact O-CB 3.13Å; S52-Q56 PolarHBondContact O-N 3.44Å
53I79.6Confident77Confident6 Ų671.9 Ų71.93%0.03137%0.371CS..Hα-helixtrans-56-50.4175.6-58.8171.6000108.7Y9 W15 D44 I51 N55 Q56 F57 Y68 I71Y9-I53 HydrophobicContact CE2-CD1 4.47Å; Y9-I53 HydrophobicContact CE2-CG1 4.32Å; Y9-I53 WeakPolarHBondContact OH-CD1 3.46Å; W15-I53 HydrophobicContact CE3-CD1 3.86Å; W15-I53 HydrophobicContact CE3-CG1 3.75Å; W15-I53 HydrophobicContact CZ3-CD1 3.53Å; W15-I53 HydrophobicContact CZ3-CG1 3.7Å; D44-I53 WeakPolarHBondContact OD1-CB 3.35Å; D44-I53 PolarHBondContact OD1-N 3.02Å; I51-I53 PolarHBondContact O-N 3.11Å; I53-N55 PolarHBondContact O-N 3.38Å; I53-Q56 PolarHBondContact O-N 3.32Å; I53-F57 HydrophobicContact CG2-CD2 3.69Å; I53-F57 HydrophobicContact CG2-CE2 3.35Å; I53-F57 WeakPolarHBondContact O-CD2 3.31Å; I53-F57 PolarHBondContact O-N 3.47Å; I53-Y68 HydrophobicContact CB-CD2 4.33Å; I53-Y68 HydrophobicContact CB-CE2 4.19Å; I53-Y68 HydrophobicContact CG2-CD2 3.73Å; I53-Y68 HydrophobicContact CG2-CE2 3.99Å; I53-I71 HydrophobicContact CD1-CG2 4.31Å; I53-I71 HydrophobicContact CG2-CD1 4.21Å; I53-I71 HydrophobicContact CG2-CG2 4.45Å
54R81.9Confident75.5Confident98 Ų9871.4 Ų71.437%0.3737%0.368SS..Hα-helixtrans-54.9-46.8177.6177.8-177.561.678.31.1113.2D44 S52 T58 Y68D44-R54 WeakPolarHBondContact OD2-CB 3.39Å; D44-R54 PolarHBondContact OD2-N 2.97Å; S52-R54 VanDerWaalsContact C-N 3.33Å; S52-R54 PolarHBondContact O-N 2.96Å; S52-R54 PolarHBondContact OG-N 3.14Å; R54-T58 PolarHBondContact O-N 3.48Å; R54-T58 VanDerWaalsContact O-N 3.1Å; R54-T58 PolarHBondContact O-OG1 2.9Å; R54-Y68 HydrophobicContact CB-CD2 4.29Å; R54-Y68 HydrophobicContact CB-CE2 4.07Å
55N79.9Confident74.3Confident19 Ų1975.6 Ų75.610%0.10239%0.391CS..Hα-helixtrans-70.3-38.7-179.7-68.9-36.7000111.6Y49 S52 I53 F57 T58 N59Y49-N55 HydrophobicContact CD2-CB 3.81Å; Y49-N55 HydrophobicContact CE2-CB 4.03Å; Y49-N55 HydrophobicContact CG-CB 4.44Å; Y49-N55 WeakPolarHBondContact O-CB 3.38Å; S52-N55 WeakPolarHBondContact CB-ND2 3.43Å; S52-N55 PolarHBondContact O-N 2.96Å; S52-N55 PolarHBondContact OG-N 3.46Å; S52-N55 PolarHBondContact OG-ND2 3.16Å; I53-N55 PolarHBondContact O-N 3.38Å; N55-F57 VanDerWaalsContact C-N 3.33Å; N55-F57 PolarHBondContact O-N 3.13Å; N55-T58 PolarHBondContact O-N 3.48Å; N55-N59 VanDerWaalsContact O-CG 3.3Å; N55-N59 PolarHBondContact O-N 3.12Å; N55-N59 PolarHBondContact O-ND2 3.26Å
56Q75.6Confident73.2Confident28 Ų2871.3 Ų71.313%0.13140%0.395CS..Hα-helixtrans-59.2-44.1175.5-173.6-174.7-18.900111.8Y14 S52 I53 N59 T60Y14-Q56 PolarHBondContact OH-NE2 3.44Å; S52-Q56 WeakPolarHBondContact O-CB 3.13Å; S52-Q56 PolarHBondContact O-N 3.44Å; I53-Q56 PolarHBondContact O-N 3.32Å; Q56-N59 PolarHBondContact O-N 3.31Å; Q56-T60 HydrophobicContact CG-CG2 4.46Å; Q56-T60 WeakPolarHBondContact O-CB 3.49Å; Q56-T60 WeakPolarHBondContact O-CG2 3.42Å; Q56-T60 PolarHBondContact O-N 3.42Å; Q56-T60 PolarHBondContact O-OG1 3.47Å
57F74.5Confident72.6Confident35 Ų3565.8 Ų65.815%0.15437%0.374CS..Hα-helixtrans-60.9-45.8173-82.6-70.2000112.8I53 N55 N59 G61 Y63 G67 Y68 I71I53-F57 HydrophobicContact CG2-CD2 3.69Å; I53-F57 HydrophobicContact CG2-CE2 3.35Å; I53-F57 WeakPolarHBondContact O-CD2 3.31Å; I53-F57 PolarHBondContact O-N 3.47Å; N55-F57 VanDerWaalsContact C-N 3.33Å; N55-F57 PolarHBondContact O-N 3.13Å; F57-N59 PolarHBondContact O-N 3.04Å; F57-G61 PolarHBondContact O-N 3.36Å; F57-G61 VanDerWaalsContact O-N 3.15Å; F57-Y63 WeakPolarHBondContact CE1-O 3.35Å; F57-G67 VanDerWaalsContact CE1-CA 3.43Å; F57-Y68 AromaticContact CD2-CD2 3.96Å; F57-Y68 HydrophobicContact CD2-CD2 3.96Å; F57-Y68 HydrophobicContact CD2-CG 4.34Å; F57-Y68 HydrophobicContact CE2-CD2 4.2Å; F57-Y68 VanDerWaalsContact CZ-N 3.27Å; F57-I71 HydrophobicContact CE2-CD1 3.64Å; F57-I71 HydrophobicContact CE2-CG1 4.24Å; F57-I71 HydrophobicContact CZ-CD1 3.44Å; F57-I71 VanDerWaalsContact CZ-CD1 3.44Å; F57-I71 HydrophobicContact CZ-CG1 3.9Å
58T75.8Confident72.4Confident102 Ų10266 Ų6663%0.62637%0.374SS*.Hα-helixtrans-60-37-178.2-56.60000111.5R54 N55R54-T58 PolarHBondContact O-N 3.48Å; R54-T58 VanDerWaalsContact O-N 3.1Å; R54-T58 PolarHBondContact O-OG1 2.9Å; N55-T58 PolarHBondContact O-N 3.48Å
59N69.7Low72.4Confident87 Ų8768.1 Ų68.147%0.46538%0.382SS..Hα-helixtrans-85.3-41.7-175.5-69-12.6000114.3Y49 N55 Q56 F57Y49-N59 WeakPolarHBondContact CE1-ND2 3.48Å; Y49-N59 PolarHBondContact OH-ND2 3.14Å; Y49-N59 PolarHBondContact OH-OD1 2.79Å; N55-N59 VanDerWaalsContact O-CG 3.3Å; N55-N59 PolarHBondContact O-N 3.12Å; N55-N59 PolarHBondContact O-ND2 3.26Å; Q56-N59 PolarHBondContact O-N 3.31Å; F57-N59 PolarHBondContact O-N 3.04Å
60T70.3Confident72.6Confident59 Ų5964.9 Ų64.936%0.36237%0.374SS..Hα-helixtrans-78.9-27.9-17554.50000111.6Q56 N62Q56-T60 HydrophobicContact CG-CG2 4.46Å; Q56-T60 WeakPolarHBondContact O-CB 3.49Å; Q56-T60 WeakPolarHBondContact O-CG2 3.42Å; Q56-T60 PolarHBondContact O-N 3.42Å; Q56-T60 PolarHBondContact O-OG1 3.47Å; T60-N62 WeakPolarHBondContact CB-O 3.28Å; T60-N62 WeakPolarHBondContact O-CB 3.25Å; T60-N62 PolarHBondContact O-N 3.38Å; T60-N62 PolarHBondContact OG1-O 2.74Å
61G62.9Low72.9Confident65 Ų6560.4 Ų60.467%0.6734%0.342SS*.SBendtrans60.5-6.1-170.600000114.1F57F57-G61 PolarHBondContact O-N 3.36Å; F57-G61 VanDerWaalsContact O-N 3.15Å
62N55.4Low73.2Confident133 Ų13357.7 Ų57.771%0.71133%0.328SS*.  trans-147.597.3-165.9-70.8-30.1000106T60T60-N62 WeakPolarHBondContact CB-O 3.28Å; T60-N62 WeakPolarHBondContact O-CB 3.25Å; T60-N62 PolarHBondContact O-N 3.38Å; T60-N62 PolarHBondContact OG1-O 2.74Å
63Y53.5Low73.4Confident101 Ų10160.5 Ų60.540%0.39635%0.348SS..  trans-168.9151.5149-120.3-58.5000116.3E12 F57E12-Y63 PolarHBondContact OE1-OH 3.33Å; E12-Y63 PolarHBondContact OE2-OH 3.21Å; F57-Y63 WeakPolarHBondContact CE1-O 3.35Å
64Y58.3Low73.8Confident13 Ų1360.8 Ų60.85%0.05135%0.349CS..THydrogen-bonded Turntrans45.5104.6161.3-49.4-73000114.7L8 E12 Y14 G66L8-Y64 HydrophobicContact CB-CD1 3.78Å; L8-Y64 HydrophobicContact CB-CE1 4.09Å; L8-Y64 HydrophobicContact CD2-CD1 3.73Å; L8-Y64 HydrophobicContact CD2-CE1 3.59Å; L8-Y64 HydrophobicContact CG-CD1 3.77Å; L8-Y64 HydrophobicContact CG-CE1 3.57Å; E12-Y64 HydrophobicContact CG-CE1 4.49Å; E12-Y64 WeakPolarHBondContact OE1-CE1 3.3Å; E12-Y64 PolarHBondContact OE1-OH 2.89Å; E12-Y64 PolarHBondContact OE2-OH 2.94Å; Y14-Y64 HydrophobicContact CD2-CE2 4.11Å; Y14-Y64 AromaticContact CE2-CE2 3.56Å; Y14-Y64 HydrophobicContact CE2-CE2 3.56Å; Y14-Y64 AromaticContact CE2-CZ 3.47Å; Y14-Y64 VanDerWaalsContact CE2-CZ 3.47Å; Y14-Y64 WeakPolarHBondContact CE2-OH 3.4Å; Y14-Y64 AromaticContact CZ-CE2 3.89Å; Y14-Y64 PolarHBondContact OH-OH 2.82Å; Y64-G66 VanDerWaalsContact C-N 3.25Å; Y64-G66 PolarHBondContact O-N 2.93Å; Y64-G66 VanDerWaalsContact O-N 3.07Å
65D61.2Low74.1Confident91 Ų9156.3 Ų56.349%0.48733%0.332SS..THydrogen-bonded Turntrans59.123.6162.8-54.4-24000116.3N70D65-N70 VanDerWaalsContact O-CB 3.28Å; D65-N70 WeakPolarHBondContact O-CB 3.27Å; D65-N70 PolarHBondContact O-ND2 3.08Å
66G65.9Low74.5Confident67 Ų6756.5 Ų56.569%0.69133%0.333SS*.THydrogen-bonded Turntrans98.419.1165.100000117Y64 N70Y64-G66 VanDerWaalsContact C-N 3.25Å; Y64-G66 PolarHBondContact O-N 2.93Å; Y64-G66 VanDerWaalsContact O-N 3.07Å; G66-N70 VanDerWaalsContact CA-ND2 3.3Å; G66-N70 WeakPolarHBondContact CA-ND2 3.44Å; G66-N70 PolarHBondContact O-ND2 2.87Å
67G76.6Confident75.1Confident21 Ų2156.1 Ų56.122%0.21633%0.332CS..SBendtrans121173165.500000115.5F57 L69 N70 I71F57-G67 VanDerWaalsContact CE1-CA 3.43Å; G67-L69 VanDerWaalsContact C-N 3.26Å; G67-L69 PolarHBondContact O-N 2.84Å; G67-N70 WeakPolarHBondContact O-CB 3.15Å; G67-N70 PolarHBondContact O-N 3.06Å; G67-I71 PolarHBondContact O-N 3.24Å
68Y80.8Confident75.9Confident56 Ų5654.6 Ų54.622%0.2233%0.325CS..Hα-helixtrans-51.3-43-179.4178.5-94.1000113.1T41 I53 R54 F57 N70 I71 L72T41-Y68 WeakPolarHBondContact CG2-OH 3.37Å; I53-Y68 HydrophobicContact CB-CD2 4.33Å; I53-Y68 HydrophobicContact CB-CE2 4.19Å; I53-Y68 HydrophobicContact CG2-CD2 3.73Å; I53-Y68 HydrophobicContact CG2-CE2 3.99Å; R54-Y68 HydrophobicContact CB-CD2 4.29Å; R54-Y68 HydrophobicContact CB-CE2 4.07Å; F57-Y68 AromaticContact CD2-CD2 3.96Å; F57-Y68 HydrophobicContact CD2-CD2 3.96Å; F57-Y68 HydrophobicContact CD2-CG 4.34Å; F57-Y68 HydrophobicContact CE2-CD2 4.2Å; F57-Y68 VanDerWaalsContact CZ-N 3.27Å; Y68-N70 PolarHBondContact O-N 3.21Å; Y68-I71 PolarHBondContact O-N 3.31Å; Y68-L72 HydrophobicContact CE1-CD2 4.13Å; Y68-L72 WeakPolarHBondContact O-CB 3.06Å; Y68-L72 PolarHBondContact O-N 3.19Å
69L82.9Confident76.6Confident128 Ų12849.7 Ų49.767%0.6730%0.295SS*.Hα-helixtrans-65-27179.3-64.4178000112.9G67 S73G67-L69 VanDerWaalsContact C-N 3.26Å; G67-L69 PolarHBondContact O-N 2.84Å; L69-S73 WeakPolarHBondContact O-CB 3.49Å; L69-S73 PolarHBondContact O-N 3.03Å
70N82.2Confident77.6Confident76 Ų7646.4 Ų46.441%0.40628%0.277SS..Hα-helixtrans-77.7-40.3178.4-68.6-7000111.2D65 G66 G67 Y68 S73 F74D65-N70 VanDerWaalsContact O-CB 3.28Å; D65-N70 WeakPolarHBondContact O-CB 3.27Å; D65-N70 PolarHBondContact O-ND2 3.08Å; G66-N70 VanDerWaalsContact CA-ND2 3.3Å; G66-N70 WeakPolarHBondContact CA-ND2 3.44Å; G66-N70 PolarHBondContact O-ND2 2.87Å; G67-N70 WeakPolarHBondContact O-CB 3.15Å; G67-N70 PolarHBondContact O-N 3.06Å; Y68-N70 PolarHBondContact O-N 3.21Å; N70-S73 PolarHBondContact O-N 3.09Å; N70-F74 VanDerWaalsContact O-CB 3.28Å; N70-F74 WeakPolarHBondContact O-CB 3.48Å; N70-F74 PolarHBondContact O-N 3.28Å
71I82.9Confident78.5Confident9 Ų943.8 Ų43.85%0.04626%0.262CS..Hα-helixtrans-62.7-44.5170.8-60.9-170.1000110.3Y9 I53 F57 G67 Y68 S73 F74 L75Y9-I71 HydrophobicContact CD1-CG2 4.4Å; Y9-I71 HydrophobicContact CD2-CD1 3.76Å; Y9-I71 HydrophobicContact CE1-CG2 4.07Å; Y9-I71 HydrophobicContact CE2-CD1 4.1Å; Y9-I71 HydrophobicContact CE2-CG2 4.48Å; Y9-I71 HydrophobicContact CG-CD1 4.04Å; I53-I71 HydrophobicContact CD1-CG2 4.31Å; I53-I71 HydrophobicContact CG2-CD1 4.21Å; I53-I71 HydrophobicContact CG2-CG2 4.45Å; F57-I71 HydrophobicContact CE2-CD1 3.64Å; F57-I71 HydrophobicContact CE2-CG1 4.24Å; F57-I71 HydrophobicContact CZ-CD1 3.44Å; F57-I71 VanDerWaalsContact CZ-CD1 3.44Å; F57-I71 HydrophobicContact CZ-CG1 3.9Å; G67-I71 PolarHBondContact O-N 3.24Å; Y68-I71 PolarHBondContact O-N 3.31Å; I71-S73 PolarHBondContact O-N 3.01Å; I71-F74 WeakPolarHBondContact O-CB 3.35Å; I71-F74 PolarHBondContact O-N 3.48Å; I71-L75 HydrophobicContact CG2-CD1 4.12Å; I71-L75 HydrophobicContact CG2-CG 4.4Å; I71-L75 WeakPolarHBondContact O-CG 3.42Å; I71-L75 PolarHBondContact O-N 3.46Å
72L85.8Confident79.8Confident18 Ų1841.6 Ų41.69%0.09423%0.234CC..Hα-helixtrans-61.5-45.9176.8-177.861.4000111.7I37 F40 T41 Y68 F74 L75 I76I37-L72 HydrophobicContact CG2-CD2 4.46Å; F40-L72 HydrophobicContact CB-CD1 3.85Å; F40-L72 HydrophobicContact CD2-CD1 4.11Å; F40-L72 HydrophobicContact CG-CD1 4.4Å; T41-L72 HydrophobicContact CG2-CD2 4.19Å; Y68-L72 HydrophobicContact CE1-CD2 4.13Å; Y68-L72 WeakPolarHBondContact O-CB 3.06Å; Y68-L72 PolarHBondContact O-N 3.19Å; L72-F74 VanDerWaalsContact C-N 3.3Å; L72-F74 PolarHBondContact O-N 3.36Å; L72-L75 PolarHBondContact O-N 3.3Å; L72-I76 HydrophobicContact CD1-CD1 4.27Å; L72-I76 HydrophobicContact CG-CD1 3.96Å; L72-I76 WeakPolarHBondContact O-CB 3.23Å; L72-I76 WeakPolarHBondContact O-CD1 3.36Å; L72-I76 WeakPolarHBondContact O-CG1 3.25Å; L72-I76 PolarHBondContact O-N 2.86Å
73S86.8Confident81.5Confident58 Ų5837 Ų3741%0.40621%0.207SC..Hα-helixtrans-59-41.6174.8-179.70000111.9L69 N70 I71 I76 N77L69-S73 WeakPolarHBondContact O-CB 3.49Å; L69-S73 PolarHBondContact O-N 3.03Å; N70-S73 PolarHBondContact O-N 3.09Å; I71-S73 PolarHBondContact O-N 3.01Å; S73-I76 PolarHBondContact O-N 3.34Å; S73-N77 VanDerWaalsContact O-CG 3.3Å; S73-N77 PolarHBondContact O-N 2.99Å; S73-N77 PolarHBondContact O-ND2 3.37Å
74F86.5Confident83.1Confident12 Ų1239.7 Ų39.75%0.05322%0.221CC..Hα-helixtrans-60.2-50.1173.9159.2-100000112.2P7 I10 N70 I71 L72 I76 N77 I78 Y135P7-F74 HydrophobicContact CG-CD2 3.64Å; P7-F74 HydrophobicContact CG-CE1 4.27Å; P7-F74 HydrophobicContact CG-CE2 3.24Å; P7-F74 HydrophobicContact CG-CG 4.26Å; P7-F74 HydrophobicContact CG-CZ 3.58Å; I10-F74 HydrophobicContact CD1-CE1 3.94Å; I10-F74 HydrophobicContact CD1-CZ 4.16Å; I10-F74 HydrophobicContact CG1-CE1 3.96Å; I10-F74 HydrophobicContact CG1-CZ 3.79Å; N70-F74 VanDerWaalsContact O-CB 3.28Å; N70-F74 WeakPolarHBondContact O-CB 3.48Å; N70-F74 PolarHBondContact O-N 3.28Å; I71-F74 WeakPolarHBondContact O-CB 3.35Å; I71-F74 PolarHBondContact O-N 3.48Å; L72-F74 VanDerWaalsContact C-N 3.3Å; L72-F74 PolarHBondContact O-N 3.36Å; F74-I76 VanDerWaalsContact C-N 3.3Å; F74-I76 PolarHBondContact O-N 2.92Å; F74-N77 PolarHBondContact O-N 3.4Å; F74-N77 VanDerWaalsContact O-N 3.14Å; F74-I78 HydrophobicContact CD2-CD1 4.08Å; F74-I78 HydrophobicContact CD2-CG1 4.37Å; F74-I78 HydrophobicContact CE1-CD1 3.8Å; F74-I78 HydrophobicContact CE2-CD1 3.23Å; F74-I78 HydrophobicContact CE2-CG1 3.91Å; F74-I78 HydrophobicContact CZ-CD1 3.07Å; F74-I78 HydrophobicContact CZ-CG1 4.16Å; F74-I78 PolarHBondContact O-N 3.19Å; F74-Y135 WeakPolarHBondContact CE2-OH 3.47Å
75L87.9Confident84.6Confident4 Ų443.5 Ų43.52%0.02124%0.239CC..Hα-helixtrans-60.3-40.7178.1-70.5170.2000111.6P17 F40 I71 L72 I78 C79P17-L75 HydrophobicContact CG-CD1 3.92Å; F40-L75 HydrophobicContact CD2-CB 4.26Å; F40-L75 HydrophobicContact CE2-CB 3.9Å; F40-L75 HydrophobicContact CZ-CB 4.12Å; I71-L75 HydrophobicContact CG2-CD1 4.12Å; I71-L75 HydrophobicContact CG2-CG 4.4Å; I71-L75 WeakPolarHBondContact O-CG 3.42Å; I71-L75 PolarHBondContact O-N 3.46Å; L72-L75 PolarHBondContact O-N 3.3Å; L75-I78 PolarHBondContact O-N 2.86Å; L75-C79 VanDerWaalsContact O-CB 3.3Å; L75-C79 WeakPolarHBondContact O-CB 3.22Å; L75-C79 PolarHBondContact O-N 3.35Å
76I89.2Confident85.8Confident23 Ų2343.5 Ų43.512%0.11824%0.239CC..Hα-helixtrans-62-46.5174.3-68.9163.2000110.8L33 I36 I37 F40 L72 S73 F74 C79 Q80L33-I76 HydrophobicContact CD1-CG2 3.51Å; I36-I76 HydrophobicContact CG2-CG1 4.2Å; I37-I76 HydrophobicContact CD1-CD1 4.26Å; I37-I76 HydrophobicContact CG1-CD1 3.58Å; I37-I76 HydrophobicContact CG1-CG1 4.38Å; F40-I76 HydrophobicContact CD2-CG1 4.27Å; F40-I76 HydrophobicContact CE2-CG1 4.25Å; L72-I76 HydrophobicContact CD1-CD1 4.27Å; L72-I76 HydrophobicContact CG-CD1 3.96Å; L72-I76 WeakPolarHBondContact O-CB 3.23Å; L72-I76 WeakPolarHBondContact O-CD1 3.36Å; L72-I76 WeakPolarHBondContact O-CG1 3.25Å; L72-I76 PolarHBondContact O-N 2.86Å; S73-I76 PolarHBondContact O-N 3.34Å; F74-I76 VanDerWaalsContact C-N 3.3Å; F74-I76 PolarHBondContact O-N 2.92Å; I76-C79 WeakPolarHBondContact O-CB 3.25Å; I76-C79 PolarHBondContact O-N 3.46Å; I76-C79 VanDerWaalsContact O-N 3.16Å; I76-Q80 HydrophobicContact CG2-CG 4.44Å; I76-Q80 WeakPolarHBondContact O-CG 3.43Å; I76-Q80 PolarHBondContact O-N 2.91Å
77N89Confident86.9Confident20 Ų2043.1 Ų43.111%0.10722%0.223CC..Hα-helixtrans-61.4-46.6178.9-74.4-45.3000111.6S73 F74 C79 Q80 C81 H90S73-N77 VanDerWaalsContact O-CG 3.3Å; S73-N77 PolarHBondContact O-N 2.99Å; S73-N77 PolarHBondContact O-ND2 3.37Å; F74-N77 PolarHBondContact O-N 3.4Å; F74-N77 VanDerWaalsContact O-N 3.14Å; N77-C79 VanDerWaalsContact C-N 3.27Å; N77-C79 PolarHBondContact O-N 3.45Å; N77-Q80 PolarHBondContact O-N 2.84Å; N77-C81 PolarHBondContact O-N 2.85Å; N77-H90 WeakPolarHBondContact O-CB 3.39Å; N77-H90 PolarHBondContact OD1-ND1 3.25Å
78I89.4Confident87.4Confident3 Ų349.7 Ų49.72%0.01525%0.253CS..Hα-helixtrans-59.4-42.7173.9-72.9-175.9000110.7L20 F74 L75 Q80 C81 L82 L131 I134 Y135L20-I78 HydrophobicContact CD1-CG2 4.09Å; L20-I78 HydrophobicContact CD2-CG2 4.42Å; F74-I78 HydrophobicContact CD2-CD1 4.08Å; F74-I78 HydrophobicContact CD2-CG1 4.37Å; F74-I78 HydrophobicContact CE1-CD1 3.8Å; F74-I78 HydrophobicContact CE2-CD1 3.23Å; F74-I78 HydrophobicContact CE2-CG1 3.91Å; F74-I78 HydrophobicContact CZ-CD1 3.07Å; F74-I78 HydrophobicContact CZ-CG1 4.16Å; F74-I78 PolarHBondContact O-N 3.19Å; L75-I78 PolarHBondContact O-N 2.86Å; I78-Q80 VanDerWaalsContact C-N 3.33Å; I78-Q80 PolarHBondContact O-N 3.45Å; I78-C81 WeakPolarHBondContact O-CB 3.4Å; I78-C81 PolarHBondContact O-N 3.48Å; I78-L82 HydrophobicContact CG2-CD1 3.56Å; I78-L82 HydrophobicContact CG2-CG 4.06Å; I78-L82 WeakPolarHBondContact O-CB 3.42Å; I78-L82 VanDerWaalsContact O-CG 3.27Å; I78-L82 WeakPolarHBondContact O-CG 3.48Å; I78-L82 PolarHBondContact O-N 3.44Å; I78-L131 HydrophobicContact CD1-CD2 3.84Å; I78-L131 HydrophobicContact CG2-CD2 3.87Å; I78-I134 HydrophobicContact CB-CD1 4.5Å; I78-I134 HydrophobicContact CD1-CD1 4.46Å; I78-I134 HydrophobicContact CG1-CD1 4.19Å; I78-I134 HydrophobicContact CG2-CD1 3.86Å; I78-Y135 HydrophobicContact CD1-CE2 3.7Å; I78-Y135 HydrophobicContact CG1-CE2 4.33Å
79C90.5Very high87.7Confident0 Ų051.5 Ų51.50%027%0.266CS..Hα-helixtrans-58.9-46.3178.9-166.10000111.7L20 C24 I36 F40 L75 I76 N77 C81 L82 R83L20-C79 HydrophobicContact CD1-CB 4.4Å; C24-C79 HydrophobicContact CB-CB 3.84Å; C24-C79 WeakPolarHBondContact CB-SG 3.47Å; C24-C79 WeakPolarHBondContact SG-CA 2.91Å; C24-C79 WeakPolarHBondContact SG-CB 3.45Å; C24-C79 CovalentContact SG-SG 2.03Å; C24-C79 PolarHBondContact SG-SG 3.41Å; I36-C79 HydrophobicContact CG2-CB 4.41Å; F40-C79 HydrophobicContact CE2-CB 4.35Å; F40-C79 HydrophobicContact CZ-CB 4.2Å; L75-C79 VanDerWaalsContact O-CB 3.3Å; L75-C79 WeakPolarHBondContact O-CB 3.22Å; L75-C79 PolarHBondContact O-N 3.35Å; I76-C79 WeakPolarHBondContact O-CB 3.25Å; I76-C79 PolarHBondContact O-N 3.46Å; I76-C79 VanDerWaalsContact O-N 3.16Å; N77-C79 VanDerWaalsContact C-N 3.27Å; N77-C79 PolarHBondContact O-N 3.45Å; C79-C81 PolarHBondContact O-N 2.94Å; C79-L82 PolarHBondContact O-N 2.94Å; C79-R83 WeakPolarHBondContact O-CB 3.21Å; C79-R83 VanDerWaalsContact O-CG 3.25Å; C79-R83 WeakPolarHBondContact O-CG 3.25Å; C79-R83 PolarHBondContact O-N 3.41Å
80Q90.7Very high88Confident17 Ų1747.1 Ų47.18%0.07924%0.242CC..Hα-helixtrans-63.5-40.1176.2-64.3-63.2-6.800112.1I76 N77 I78 R83 K84 H85 H90I76-Q80 HydrophobicContact CG2-CG 4.44Å; I76-Q80 WeakPolarHBondContact O-CG 3.43Å; I76-Q80 PolarHBondContact O-N 2.91Å; N77-Q80 PolarHBondContact O-N 2.84Å; I78-Q80 VanDerWaalsContact C-N 3.33Å; I78-Q80 PolarHBondContact O-N 3.45Å; Q80-R83 PolarHBondContact O-N 2.87Å; Q80-K84 PolarHBondContact O-N 2.86Å; Q80-H85 PolarHBondContact O-N 2.85Å; Q80-H90 HydrophobicContact CB-CB 3.87Å
81C91.1Very high88.3Confident5 Ų544.9 Ų44.93%0.03423%0.232CC..Hα-helixtrans-60-49.3174175.50000112.1N77 I78 C79 R83 K84 H90 C91N77-C81 PolarHBondContact O-N 2.85Å; I78-C81 WeakPolarHBondContact O-CB 3.4Å; I78-C81 PolarHBondContact O-N 3.48Å; C79-C81 PolarHBondContact O-N 2.94Å; C81-R83 VanDerWaalsContact C-N 3.26Å; C81-R83 PolarHBondContact O-N 2.88Å; C81-K84 WeakPolarHBondContact O-CA 3.38Å; C81-K84 PolarHBondContact O-N 3.28Å; C81-H90 HydrophobicContact CB-CB 4.34Å; C81-C91 WeakPolarHBondContact CA-SG 3.36Å; C81-C91 HydrophobicContact CB-CB 3.95Å; C81-C91 WeakPolarHBondContact CB-SG 3.36Å; C81-C91 WeakPolarHBondContact SG-CA 3.32Å; C81-C91 WeakPolarHBondContact SG-CB 3.41Å; C81-C91 CovalentContact SG-SG 2.03Å; C81-C91 PolarHBondContact SG-SG 3.39Å
82L89.8Confident88.7Confident19 Ų1945.2 Ų45.210%0.09924%0.235CC..Hα-helixtrans-64.7-31.1179.2-68.3168.4000112.3L20 C24 I78 C79 K84 K130 I134L20-L82 HydrophobicContact CG-CD1 4.47Å; C24-L82 HydrophobicContact CB-CB 4.12Å; C24-L82 HydrophobicContact CB-CD1 3.97Å; C24-L82 WeakPolarHBondContact O-CB 3.19Å; I78-L82 HydrophobicContact CG2-CD1 3.56Å; I78-L82 HydrophobicContact CG2-CG 4.06Å; I78-L82 WeakPolarHBondContact O-CB 3.42Å; I78-L82 VanDerWaalsContact O-CG 3.27Å; I78-L82 WeakPolarHBondContact O-CG 3.48Å; I78-L82 PolarHBondContact O-N 3.44Å; C79-L82 PolarHBondContact O-N 2.94Å; L82-K84 PolarHBondContact O-N 3.44Å; L82-K130 HydrophobicContact CD1-CD 4.37Å; L82-K130 VanDerWaalsContact CD1-CE 3.48Å; L82-K130 HydrophobicContact CD1-CG 4Å; L82-K130 HydrophobicContact CD2-CD 4.35Å; L82-K130 HydrophobicContact CD2-CG 4.19Å; L82-I134 HydrophobicContact CD2-CD1 4.39Å; L82-I134 HydrophobicContact CD2-CG2 4.2Å
83R90.2Very high88.9Confident35 Ų3547.1 Ų47.113%0.13225%0.245CC..THydrogen-bonded Turntrans-72.1-2.4170.4-71.7178.865.61771.1113.7A28 T29 K31 I36 C79 Q80 C81 H85A28-R83 VanDerWaalsContact O-CZ 3.3Å; A28-R83 PolarHBondContact O-NH2 3.34Å; T29-R83 PolarHBondContact O-NH2 3.5Å; K31-R83 PolarHBondContact O-NH1 3.38Å; K31-R83 PolarHBondContact O-NH2 3.31Å; I36-R83 VanDerWaalsContact CD1-NH1 3.29Å; C79-R83 WeakPolarHBondContact O-CB 3.21Å; C79-R83 VanDerWaalsContact O-CG 3.25Å; C79-R83 WeakPolarHBondContact O-CG 3.25Å; C79-R83 PolarHBondContact O-N 3.41Å; Q80-R83 PolarHBondContact O-N 2.87Å; C81-R83 VanDerWaalsContact C-N 3.26Å; C81-R83 PolarHBondContact O-N 2.88Å; R83-H85 HydrophobicContact CB-CB 4.44Å; R83-H85 PolarHBondContact O-N 3.45Å
84K88.6Confident89.1Confident159 Ų15945 Ų4569%0.69123%0.231SC*.THydrogen-bonded Turntrans57.824.8-172.3-57.3-178.7178.5179.80113.5P26 Q80 C81 L82 T87P26-K84 HydrophobicContact CG-CD 4.28Å; P26-K84 HydrophobicContact CG-CG 4.3Å; Q80-K84 PolarHBondContact O-N 2.86Å; C81-K84 WeakPolarHBondContact O-CA 3.38Å; C81-K84 PolarHBondContact O-N 3.28Å; L82-K84 PolarHBondContact O-N 3.44Å; K84-T87 HydrophobicContact CB-CG2 4.36Å
85H88Confident89.3Confident92 Ų9245.8 Ų45.843%0.42624%0.237SC..SBendtrans-91.9122.8179-175.1-95.2000109.8Q80 R83 T87 H90Q80-H85 PolarHBondContact O-N 2.85Å; R83-H85 HydrophobicContact CB-CB 4.44Å; R83-H85 PolarHBondContact O-N 3.45Å; H85-T87 VanDerWaalsContact C-N 3.27Å; H85-T87 PolarHBondContact O-N 3.4Å; H85-H90 PolarHBondContact O-CD2 3.46Å
86N87.7Confident89.4Confident92 Ų9248.7 Ų48.749%0.49226%0.261SS..SBendtrans42.952.1-179.5-68.8-19.5000112.9N88 L89 H90N86-N88 PolarHBondContact O-N 3.41Å; N86-N88 VanDerWaalsContact O-N 3.09Å; N86-L89 HydrophobicContact CB-CD1 4.26Å; N86-L89 PolarHBondContact O-N 3.5Å; N86-H90 PolarHBondContact O-N 2.96Å
87T88.3Confident89.3Confident58 Ų5851.1 Ų51.136%0.35627%0.271SS..Hα-helixtrans-53.7-34.3-17451.90000112.9K84 H85 L89 H90 C91K84-T87 HydrophobicContact CB-CG2 4.36Å; H85-T87 VanDerWaalsContact C-N 3.27Å; H85-T87 PolarHBondContact O-N 3.4Å; T87-L89 PolarHBondContact O-N 3.39Å; T87-L89 VanDerWaalsContact O-N 3.17Å; T87-H90 PolarHBondContact O-N 3.27Å; T87-C91 WeakPolarHBondContact O-CB 3.41Å; T87-C91 PolarHBondContact O-N 2.86Å
88N86.4Confident89.2Confident160 Ų16054.5 Ų54.586%0.85629%0.294SS*.Hα-helixtrans-60.3-25177-60.6-13.5000113.7N86N86-N88 PolarHBondContact O-N 3.41Å; N86-N88 VanDerWaalsContact O-N 3.09Å
89L87Confident89.1Confident93 Ų9358.8 Ų58.849%0.48732%0.317SS..Hα-helixtrans-99.2-35.4-180-64.8174.9000112.7A2 N86 T87A2-L89 PolarHBondContact N-O 2.88Å; N86-L89 HydrophobicContact CB-CD1 4.26Å; N86-L89 PolarHBondContact O-N 3.5Å; T87-L89 PolarHBondContact O-N 3.39Å; T87-L89 VanDerWaalsContact O-N 3.17Å
90H89.3Confident89Confident36 Ų3659.8 Ų59.817%0.16732%0.323CS..Hα-helixtrans-106.6-20.8-167.4-66.8-60.1000114.7A2 N77 Q80 C81 H85 N86 T87A2-H90 WeakPolarHBondContact CB-O 3.36Å; N77-H90 WeakPolarHBondContact O-CB 3.39Å; N77-H90 PolarHBondContact OD1-ND1 3.25Å; Q80-H90 HydrophobicContact CB-CB 3.87Å; C81-H90 HydrophobicContact CB-CB 4.34Å; H85-H90 PolarHBondContact O-CD2 3.46Å; N86-H90 PolarHBondContact O-N 2.96Å; T87-H90 PolarHBondContact O-N 3.27Å
91C90.3Very high89.2Confident30 Ų3059.1 Ų59.120%0.20332%0.32CS..SBendtrans-83.5142.7175.5-66.10000111.6A2 C81 T87 N93A2-C91 VanDerWaalsContact CB-C 3.43Å; A2-C91 VanDerWaalsContact CB-O 3.3Å; A2-C91 WeakPolarHBondContact CB-O 3.24Å; C81-C91 WeakPolarHBondContact CA-SG 3.36Å; C81-C91 HydrophobicContact CB-CB 3.95Å; C81-C91 WeakPolarHBondContact CB-SG 3.36Å; C81-C91 WeakPolarHBondContact SG-CA 3.32Å; C81-C91 WeakPolarHBondContact SG-CB 3.41Å; C81-C91 CovalentContact SG-SG 2.03Å; C81-C91 PolarHBondContact SG-SG 3.39Å; T87-C91 WeakPolarHBondContact O-CB 3.41Å; T87-C91 PolarHBondContact O-N 2.86Å; C91-N93 PolarHBondContact O-N 2.88Å
92P90Very high89.3Confident15 Ų1565.6 Ų65.610%0.09735%0.35CS..  trans-55.2133.1169.9-22.934.2000110.5N3 I134 Y135N3-P92 WeakPolarHBondContact O-CB 3.43Å; P92-I134 HydrophobicContact CG-CD1 4.5Å; P92-Y135 HydrophobicContact CB-CD1 3.96Å; P92-Y135 HydrophobicContact CB-CE1 3.6Å; P92-Y135 HydrophobicContact CG-CD1 3.91Å; P92-Y135 HydrophobicContact CG-CD2 4.2Å; P92-Y135 HydrophobicContact CG-CE1 3.38Å; P92-Y135 HydrophobicContact CG-CE2 3.71Å; P92-Y135 HydrophobicContact CG-CG 4.27Å; P92-Y135 WeakPolarHBondContact CG-OH 3.29Å
93N89.6Confident89.3Confident58 Ų5870.5 Ų70.531%0.3138%0.376SS..  trans-132.6108.9173.9178.9-3.2000108.7Y4 C91 C95 A96 I113Y4-N93 WeakPolarHBondContact CB-O 3.47Å; C91-N93 PolarHBondContact O-N 2.88Å; N93-C95 PolarHBondContact O-N 3.43Å; N93-C95 VanDerWaalsContact O-N 3.16Å; N93-C95 WeakPolarHBondContact OD1-CA 3.38Å; N93-C95 VanDerWaalsContact OD1-CB 3.24Å; N93-C95 WeakPolarHBondContact OD1-CB 3.28Å; N93-C95 PolarHBondContact OD1-N 3.24Å; N93-A96 HydrophobicContact CB-CB 4.09Å; N93-A96 VanDerWaalsContact O-CB 3.31Å; N93-A96 WeakPolarHBondContact O-CB 3.41Å; N93-A96 PolarHBondContact O-N 2.9Å; N93-I113 WeakPolarHBondContact OD1-CD1 3.5Å
94P90.9Very high89.4Confident15 Ų1570 Ų7010%0.09738%0.376CS..G310 helixtrans-60.9-25.8179.925.5-33.6000112.6A96 K97 I113 D138 Y139P94-A96 VanDerWaalsContact C-N 3.26Å; P94-A96 PolarHBondContact O-N 3.33Å; P94-K97 WeakPolarHBondContact O-CB 3.48Å; P94-K97 PolarHBondContact O-N 2.87Å; P94-I113 HydrophobicContact CG-CG1 4.32Å; P94-I113 HydrophobicContact CG-CG2 4.05Å; P94-D138 WeakPolarHBondContact CG-O 3.48Å; P94-Y139 HydrophobicContact CB-CD1 4.07Å
95C92.2Very high89.6Confident27 Ų2771.2 Ų71.218%0.18239%0.386CS..G310 helixtrans-73.6-10.6174-67.60000114.6N93 K97 C111 I113N93-C95 PolarHBondContact O-N 3.43Å; N93-C95 VanDerWaalsContact O-N 3.16Å; N93-C95 WeakPolarHBondContact OD1-CA 3.38Å; N93-C95 VanDerWaalsContact OD1-CB 3.24Å; N93-C95 WeakPolarHBondContact OD1-CB 3.28Å; N93-C95 PolarHBondContact OD1-N 3.24Å; C95-K97 VanDerWaalsContact C-N 3.26Å; C95-C111 WeakPolarHBondContact CA-SG 3.34Å; C95-C111 HydrophobicContact CB-CB 3.57Å; C95-C111 WeakPolarHBondContact CB-SG 3.21Å; C95-C111 WeakPolarHBondContact SG-CB 3.45Å; C95-C111 CovalentContact SG-SG 2.04Å; C95-C111 PolarHBondContact SG-SG 2.92Å; C95-I113 HydrophobicContact CB-CG1 4.5Å
96A89.3Confident89.9Confident65 Ų6569.2 Ų69.254%0.53738%0.379SS..G310 helixtrans-83.3-2.1174.500000113N93 P94N93-A96 HydrophobicContact CB-CB 4.09Å; N93-A96 VanDerWaalsContact O-CB 3.31Å; N93-A96 WeakPolarHBondContact O-CB 3.41Å; N93-A96 PolarHBondContact O-N 2.9Å; P94-A96 VanDerWaalsContact C-N 3.26Å; P94-A96 PolarHBondContact O-N 3.33Å
97K86.8Confident90.3Very high75 Ų7565.5 Ų65.533%0.32636%0.36SS..SBendtrans-58.8133.7172.3179170-169.9154.50109.5Y4 E5 P94 C95 N99 V100Y4-K97 HydrophobicContact CD2-CB 3.8Å; Y4-K97 HydrophobicContact CD2-CD 4.44Å; Y4-K97 HydrophobicContact CD2-CG 4.27Å; Y4-K97 HydrophobicContact CE1-CB 4.5Å; Y4-K97 HydrophobicContact CE2-CB 3.68Å; Y4-K97 HydrophobicContact CE2-CD 3.87Å; Y4-K97 HydrophobicContact CE2-CG 3.66Å; Y4-K97 HydrophobicContact CG-CB 4.3Å; E5-K97 IonicContact OE1-NZ 2.82Å; E5-K97 PolarHBondContact OE1-NZ 3.26Å; P94-K97 WeakPolarHBondContact O-CB 3.48Å; P94-K97 PolarHBondContact O-N 2.87Å; C95-K97 VanDerWaalsContact C-N 3.26Å; K97-N99 PolarHBondContact O-N 3.49Å; K97-V100 HydrophobicContact CB-CB 3.97Å; K97-V100 HydrophobicContact CB-CG2 4.26Å; K97-V100 HydrophobicContact CD-CG2 4.41Å; K97-V100 HydrophobicContact CG-CB 4.33Å; K97-V100 PolarHBondContact O-N 3.34Å
98P86.5Confident90.5Very high90 Ų9067 Ų6758%0.58437%0.366SS*.THydrogen-bonded Turntrans-52.7128.6-179.1-26.634.3000111.4V100P98-V100 PolarHBondContact O-N 2.96Å
99N87.9Confident90.9Very high94 Ų9460.3 Ų60.350%0.50333%0.334SS..THydrogen-bonded Turntrans53.918.5175.7-54.2-20.7000117K97 C101 H102 D103K97-N99 PolarHBondContact O-N 3.49Å; N99-C101 VanDerWaalsContact C-N 3.25Å; N99-C101 PolarHBondContact O-N 2.95Å; N99-H102 HydrophobicContact CB-CB 4.33Å; N99-H102 PolarHBondContact O-N 2.89Å; N99-D103 VanDerWaalsContact CB-CG 3.46Å; N99-D103 WeakPolarHBondContact CB-OD1 3.45Å; N99-D103 WeakPolarHBondContact CB-OD2 3.25Å; N99-D103 PolarHBondContact O-N 2.91Å
100V88.5Confident91.2Very high21 Ų2160.8 Ų60.813%0.12734%0.337CS..THydrogen-bonded Turntrans-49.9-37.3-170.267.40000115.8K97 P98 C111 Y139K97-V100 HydrophobicContact CB-CB 3.97Å; K97-V100 HydrophobicContact CB-CG2 4.26Å; K97-V100 HydrophobicContact CD-CG2 4.41Å; K97-V100 HydrophobicContact CG-CB 4.33Å; K97-V100 PolarHBondContact O-N 3.34Å; P98-V100 PolarHBondContact O-N 2.96Å; V100-C111 HydrophobicContact CG1-CB 4.46Å; V100-Y139 HydrophobicContact CG2-CD1 4.16Å; V100-Y139 HydrophobicContact CG2-CD2 3.6Å; V100-Y139 HydrophobicContact CG2-CE1 3.77Å; V100-Y139 HydrophobicContact CG2-CE2 3.17Å; V100-Y139 HydrophobicContact CG2-CG 4.06Å
101C94.2Very high91.5Very high2 Ų260.5 Ų60.51%0.01434%0.339CS..THydrogen-bonded Turntrans-115.23.4176.2-62.20000113.5N99 S107 C111 C141N99-C101 VanDerWaalsContact C-N 3.25Å; N99-C101 PolarHBondContact O-N 2.95Å; C101-S107 VanDerWaalsContact O-CB 3.3Å; C101-S107 WeakPolarHBondContact O-CB 3.43Å; C101-S107 PolarHBondContact O-OG 3.38Å; C101-C111 HydrophobicContact CB-CB 4.36Å; C101-C111 WeakPolarHBondContact SG-CB 3.03Å; C101-C141 WeakPolarHBondContact CA-SG 3.38Å; C101-C141 HydrophobicContact CB-CB 3.76Å; C101-C141 WeakPolarHBondContact CB-SG 3.33Å; C101-C141 WeakPolarHBondContact SG-CA 3.39Å; C101-C141 WeakPolarHBondContact SG-CB 3.4Å; C101-C141 CovalentContact SG-SG 2.04Å; C101-C141 PolarHBondContact SG-SG 3.32Å
102H92.9Very high91.7Very high142 Ų14262.8 Ų62.866%0.65735%0.347SS*.THydrogen-bonded Turntrans-98.7-23.1177.9-70.6-64.4000112.7N99 D104N99-H102 HydrophobicContact CB-CB 4.33Å; N99-H102 PolarHBondContact O-N 2.89Å; H102-D104 PolarHBondContact O-N 3.22Å
103D90.3Very high91.8Very high121 Ų12166.1 Ų66.165%0.64736%0.363SS*.SBendtrans-72-19.2174.3-71.3-22.3000112.5N99N99-D103 VanDerWaalsContact CB-CG 3.46Å; N99-D103 WeakPolarHBondContact CB-OD1 3.45Å; N99-D103 WeakPolarHBondContact CB-OD2 3.25Å; N99-D103 PolarHBondContact O-N 2.91Å
104D91.9Very high92Very high26 Ų2665 Ų6514%0.13936%0.357CS..  trans-94.3112.4178.6-170.7-11000111.6H102 N106 S107 K155 C156H102-D104 PolarHBondContact O-N 3.22Å; D104-N106 PolarHBondContact O-N 3.34Å; D104-N106 VanDerWaalsContact O-N 3.17Å; D104-N106 WeakPolarHBondContact OD1-CB 3.42Å; D104-N106 PolarHBondContact OD1-N 2.9Å; D104-S107 WeakPolarHBondContact O-CB 3.06Å; D104-S107 PolarHBondContact O-N 2.79Å; D104-S107 VanDerWaalsContact O-N 3.08Å; D104-K155 WeakPolarHBondContact OD2-CA 3.26Å; D104-K155 WeakPolarHBondContact OD2-CB 3.06Å; D104-C156 WeakPolarHBondContact OD2-CB 3.4Å; D104-C156 PolarHBondContact OD2-N 3.31Å
105M93.2Very high92Very high184 Ų18469.3 Ų69.391%0.90639%0.385SS*.THydrogen-bonded Turntrans-62.6-20.4178.2-62.8-177.4-179.700113.7
106N94.5Very high91.9Very high50 Ų5069.4 Ų69.427%0.26738%0.384SS..THydrogen-bonded Turntrans-95.73.4179.2-57-44.5000112.8D104 C143 V144 Y147 C156D104-N106 PolarHBondContact O-N 3.34Å; D104-N106 VanDerWaalsContact O-N 3.17Å; D104-N106 WeakPolarHBondContact OD1-CB 3.42Å; D104-N106 PolarHBondContact OD1-N 2.9Å; N106-C143 WeakPolarHBondContact O-CA 3.4Å; N106-V144 WeakPolarHBondContact O-CG2 3.4Å; N106-V144 PolarHBondContact O-N 3.1Å; N106-Y147 HydrophobicContact CB-CD1 3.62Å; N106-Y147 HydrophobicContact CB-CD2 4.37Å; N106-Y147 HydrophobicContact CB-CE1 3.86Å; N106-Y147 HydrophobicContact CB-CG 3.92Å; N106-Y147 WeakPolarHBondContact ND2-CE1 3.49Å; N106-C156 HydrophobicContact CB-CB 3.69Å
107S95.8Very high91.9Very high13 Ų1372 Ų729%0.09139%0.388CS..EExtended strand (participates in β ladder)trans-94148.1171164.80000109.8C101 D104 G109C101-S107 VanDerWaalsContact O-CB 3.3Å; C101-S107 WeakPolarHBondContact O-CB 3.43Å; C101-S107 PolarHBondContact O-OG 3.38Å; D104-S107 WeakPolarHBondContact O-CB 3.06Å; D104-S107 PolarHBondContact O-N 2.79Å; D104-S107 VanDerWaalsContact O-N 3.08Å; S107-G109 PolarHBondContact O-N 3.23Å; S107-G109 PolarHBondContact OG-N 2.02Å
108N94.1Very high92Very high90 Ų9074.9 Ų74.948%0.48140%0.403SS..EExtended strand (participates in β ladder)trans-83.73.2171.87014000113L110 V142 V144N108-L110 WeakPolarHBondContact OD1-CB 3.44Å; N108-L110 PolarHBondContact OD1-N 3.14Å; N108-V142 PolarHBondContact N-O 3.39Å; N108-V142 WeakPolarHBondContact ND2-CG1 3.44Å; N108-V142 WeakPolarHBondContact OD1-CB 3.4Å; N108-V142 PolarHBondContact OD1-O 3.19Å; N108-V144 HydrophobicContact CB-CG1 4.35Å
109G92.8Very high92Very high19 Ų1973 Ų7320%0.19639%0.388CS..EExtended strand (participates in β ladder)trans89.3-10.5-179.600000114.9S107S107-G109 PolarHBondContact O-N 3.23Å; S107-G109 PolarHBondContact OG-N 2.02Å
110L94.9Very high92Very high103 Ų10370.9 Ų70.954%0.53938%0.376SS..EExtended strand (participates in β ladder)trans-81.1131.7178.1-173.268.5000110.6N108 C141 V142N108-L110 WeakPolarHBondContact OD1-CB 3.44Å; N108-L110 PolarHBondContact OD1-N 3.14Å; L110-C141 WeakPolarHBondContact O-CA 3.34Å; L110-V142 HydrophobicContact CB-CB 4.12Å; L110-V142 HydrophobicContact CB-CG2 4Å; L110-V142 HydrophobicContact CD2-CB 4.46Å; L110-V142 HydrophobicContact CD2-CG2 3.79Å; L110-V142 HydrophobicContact CG-CG2 4Å; L110-V142 PolarHBondContact O-N 2.8Å
111C94.9Very high91.9Very high31 Ų3174.4 Ų74.421%0.20939%0.394CS..EExtended strand (participates in β ladder)trans-113.4130.6177.6-173.90000110.9C95 V100 C101C95-C111 WeakPolarHBondContact CA-SG 3.34Å; C95-C111 HydrophobicContact CB-CB 3.57Å; C95-C111 WeakPolarHBondContact CB-SG 3.21Å; C95-C111 WeakPolarHBondContact SG-CB 3.45Å; C95-C111 CovalentContact SG-SG 2.04Å; C95-C111 PolarHBondContact SG-SG 2.92Å; V100-C111 HydrophobicContact CG1-CB 4.46Å; C101-C111 HydrophobicContact CB-CB 4.36Å; C101-C111 WeakPolarHBondContact SG-CB 3.03Å
112M94.6Very high91.5Very high78 Ų7880 Ų8038%0.38442%0.424SS..EExtended strand (participates in β ladder)trans-109.8141.1175.9-57.1-173.2-58.900110Y139 E140 V142M112-Y139 CarbonylContact O-C 3.51Å; M112-Y139 WeakPolarHBondContact O-CA 3.2Å; M112-E140 HydrophobicContact CE-CB 4.26Å; M112-E140 HydrophobicContact CE-CG 4.05Å; M112-E140 PolarHBondContact N-O 3.33Å; M112-E140 PolarHBondContact O-N 3.25Å; M112-V142 HydrophobicContact CE-CG2 3.9Å; M112-V142 HydrophobicContact CG-CG2 3.82Å; M112-V142 HydrophobicContact SD-CG2 3.76Å
113I92.1Very high91.2Very high84 Ų8473.3 Ų73.343%0.43139%0.393SS..EExtended strand (participates in β ladder)trans-91.5127.1173.4-54.8173.3000107.8N93 P94 C95 Y137 D138N93-I113 WeakPolarHBondContact OD1-CD1 3.5Å; P94-I113 HydrophobicContact CG-CG1 4.32Å; P94-I113 HydrophobicContact CG-CG2 4.05Å; C95-I113 HydrophobicContact CB-CG1 4.5Å; I113-Y137 HydrophobicContact CG2-CD1 3.86Å; I113-Y137 HydrophobicContact CG2-CG 3.87Å; I113-D138 WeakPolarHBondContact CA-O 3.34Å
114I92.8Very high90.9Very high36 Ų3668.2 Ų68.219%0.18537%0.366CS..EExtended strand (participates in β ladder)trans-122.9142.7-179.655.9165.2000110.3Y137 D138 E140 H151I114-Y137 CarbonylContact O-C 3.2Å; I114-Y137 VanDerWaalsContact O-CA 3.25Å; I114-Y137 WeakPolarHBondContact O-CA 3.38Å; I114-D138 HydrophobicContact CD1-CB 4.33Å; I114-D138 HydrophobicContact CG1-CB 4Å; I114-D138 PolarHBondContact N-O 3.27Å; I114-D138 PolarHBondContact O-N 3.15Å; I114-E140 HydrophobicContact CD1-CB 4.21Å; I114-E140 HydrophobicContact CG2-CB 4.23Å; I114-H151 WeakPolarHBondContact CD1-CE1 3.07Å
115P91.8Very high90.7Very high104 Ų10473.4 Ų73.468%0.67539%0.393SS*.EExtended strand (participates in β ladder)trans-62.4142.1170.7-19.732.2000111.1
116N90.7Very high90Very high30 Ų3073.6 Ų73.616%0.1639%0.389CS..  trans-137.6109.7176.6-175-24.8000111.5E118 I119 L120 A136 D138N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 3.19Å; N116-E118 WeakPolarHBondContact OD1-CA 3.49Å; N116-E118 WeakPolarHBondContact OD1-CB 3.33Å; N116-E118 PolarHBondContact OD1-N 3.22Å; N116-I119 HydrophobicContact CB-CB 4.35Å; N116-I119 HydrophobicContact CB-CD1 3.93Å; N116-I119 HydrophobicContact CB-CG1 4.06Å; N116-I119 PolarHBondContact O-N 2.82Å; N116-I119 PolarHBondContact OD1-N 3.25Å; N116-L120 PolarHBondContact O-N 3.32Å; N116-L120 VanDerWaalsContact O-N 3.13Å; N116-A136 PolarHBondContact N-O 3.38Å; N116-D138 HydrophobicContact CB-CB 3.62Å; N116-D138 PolarHBondContact ND2-OD2 3.35Å
117D89.5Confident89.4Confident118 Ų11872.5 Ų72.563%0.63138%0.382SS*.Hα-helixtrans-68.4-26.9-179.8-67.3-32.1000113.2L120 N121D117-L120 WeakPolarHBondContact O-CB 3.3Å; D117-L120 PolarHBondContact O-N 2.99Å; D117-N121 WeakPolarHBondContact O-CB 3.24Å; D117-N121 VanDerWaalsContact O-CG 3.27Å; D117-N121 PolarHBondContact O-N 2.81Å; D117-N121 PolarHBondContact O-ND2 2.89Å; D117-N121 VanDerWaalsContact O-ND2 3.14Å
118E88.5Confident89Confident136 Ų13675.2 Ų75.264%0.63639%0.391SS*.Hα-helixtrans-66.4-43175.2-166.9-179.918000110.5N116 L120 N121 N122N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 3.19Å; N116-E118 WeakPolarHBondContact OD1-CA 3.49Å; N116-E118 WeakPolarHBondContact OD1-CB 3.33Å; N116-E118 PolarHBondContact OD1-N 3.22Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-N121 PolarHBondContact O-N 2.86Å; E118-N122 PolarHBondContact O-N 3.28Å; E118-N122 VanDerWaalsContact O-N 3.08Å; E118-N122 PolarHBondContact O-ND2 2.83Å
119I85.3Confident88.6Confident52 Ų5276.3 Ų76.327%0.26741%0.405SS..Hα-helixtrans-63.9-42.2173.6-59.9177.5000110.2N116 N121 N122 I123 Y135 Y137 D138N116-I119 HydrophobicContact CB-CB 4.35Å; N116-I119 HydrophobicContact CB-CD1 3.93Å; N116-I119 HydrophobicContact CB-CG1 4.06Å; N116-I119 PolarHBondContact O-N 2.82Å; N116-I119 PolarHBondContact OD1-N 3.25Å; I119-N121 VanDerWaalsContact C-N 3.28Å; I119-N121 PolarHBondContact O-N 3.35Å; I119-N122 PolarHBondContact O-N 2.97Å; I119-N122 VanDerWaalsContact O-N 3.15Å; I119-I123 WeakPolarHBondContact O-CG1 2.97Å; I119-I123 PolarHBondContact O-N 3.29Å; I119-Y135 VanDerWaalsContact CG2-O 3.29Å; I119-Y135 WeakPolarHBondContact CG2-O 3.33Å; I119-Y137 WeakPolarHBondContact CD1-O 3.49Å; I119-D138 HydrophobicContact CD1-CB 3.85Å
120L88Confident88.1Confident48 Ų4877.6 Ų77.625%0.25141%0.406SS..Hα-helixtrans-56.2-43.3175.2-176.262.5000112.1N116 D117 E118 N122 I123 R128 A136N116-L120 PolarHBondContact O-N 3.32Å; N116-L120 VanDerWaalsContact O-N 3.13Å; D117-L120 WeakPolarHBondContact O-CB 3.3Å; D117-L120 PolarHBondContact O-N 2.99Å; E118-L120 VanDerWaalsContact C-N 3.34Å; L120-N122 VanDerWaalsContact C-N 3.32Å; L120-N122 PolarHBondContact O-N 3.26Å; L120-I123 WeakPolarHBondContact O-CB 3.25Å; L120-I123 PolarHBondContact O-N 3.44Å; L120-R128 HydrophobicContact CD1-CG 3.64Å; L120-R128 HydrophobicContact CG-CG 4.17Å; L120-R128 PolarHBondContact O-NE 3.12Å; L120-A136 HydrophobicContact CB-CB 3.69Å; L120-A136 HydrophobicContact CD1-CB 3.84Å; L120-A136 HydrophobicContact CG-CB 4.29Å
121N87.5Confident87.7Confident96 Ų9672.8 Ų72.851%0.51338%0.38SS..Hα-helixtrans-69.5-28.3179.6-74.3-33.2000113.2D117 E118 I119 I123 R128D117-N121 WeakPolarHBondContact O-CB 3.24Å; D117-N121 VanDerWaalsContact O-CG 3.27Å; D117-N121 PolarHBondContact O-N 2.81Å; D117-N121 PolarHBondContact O-ND2 2.89Å; D117-N121 VanDerWaalsContact O-ND2 3.14Å; E118-N121 PolarHBondContact O-N 2.86Å; I119-N121 VanDerWaalsContact C-N 3.28Å; I119-N121 PolarHBondContact O-N 3.35Å; N121-I123 VanDerWaalsContact C-N 3.27Å; N121-I123 PolarHBondContact O-N 3.45Å; N121-R128 PolarHBondContact O-NH2 3.13Å
122N85.5Confident87.3Confident119 Ų11971.6 Ų71.664%0.63637%0.373SS*.Hα-helixtrans-76.5-12.1174.3-69.2-20.9000113.3E118 I119 L120E118-N122 PolarHBondContact O-N 3.28Å; E118-N122 VanDerWaalsContact O-N 3.08Å; E118-N122 PolarHBondContact O-ND2 2.83Å; I119-N122 PolarHBondContact O-N 2.97Å; I119-N122 VanDerWaalsContact O-N 3.15Å; L120-N122 VanDerWaalsContact C-N 3.32Å; L120-N122 PolarHBondContact O-N 3.26Å
123I86.3Confident86.8Confident2 Ų271 Ų711%0.0138%0.376CS..SBendtrans-77.4130173.1-62168.1000109.1L6 I119 L120 N121 I125 I127 R128 L131L6-I123 HydrophobicContact CD2-CG1 4.2Å; I119-I123 WeakPolarHBondContact O-CG1 2.97Å; I119-I123 PolarHBondContact O-N 3.29Å; L120-I123 WeakPolarHBondContact O-CB 3.25Å; L120-I123 PolarHBondContact O-N 3.44Å; N121-I123 VanDerWaalsContact C-N 3.27Å; N121-I123 PolarHBondContact O-N 3.45Å; I123-I125 PolarHBondContact O-N 3.46Å; I123-I127 HydrophobicContact CG2-CD1 4.06Å; I123-I127 HydrophobicContact CG2-CG1 3.88Å; I123-R128 HydrophobicContact CG2-CB 4.25Å; I123-R128 PolarHBondContact O-NE 2.63Å; I123-R128 PolarHBondContact O-NH2 3.01Å; I123-L131 HydrophobicContact CG2-CB 4.42Å
124P85.1Confident86.6Confident13 Ų1367.8 Ų67.88%0.08436%0.36CS..  trans-51136.9176.6-28.834.1000113E13 K126 I127 R128E13-P124 HydrophobicContact CG-CB 3.89Å; E13-P124 HydrophobicContact CG-CG 3.67Å; P124-K126 PolarHBondContact O-N 2.97Å; P124-K126 VanDerWaalsContact O-N 3.12Å; P124-I127 HydrophobicContact CB-CD1 4.14Å; P124-I127 HydrophobicContact CB-CG1 3.98Å; P124-I127 HydrophobicContact CG-CD1 4.12Å; P124-I127 HydrophobicContact CG-CG1 4.47Å; P124-I127 WeakPolarHBondContact O-CG1 3.06Å; P124-I127 PolarHBondContact O-N 3.23Å; P124-I127 VanDerWaalsContact O-N 3.08Å; P124-R128 PolarHBondContact O-N 3.21Å
125I85.9Confident86.5Confident136 Ų13666.7 Ų66.770%0.69735%0.353SS*.Hα-helixtrans-54.8-40.1-168.9-68160.3000112.3I123 I127 R128I123-I125 PolarHBondContact O-N 3.46Å; I125-I127 PolarHBondContact O-N 2.92Å; I125-R128 PolarHBondContact O-N 3.5Å
126K80.2Confident86.4Confident188 Ų18862.3 Ų62.382%0.81733%0.326SS*.Hα-helixtrans-60.7-28.7-176.5-66.2179.4-177.9170.70113.8P124P124-K126 PolarHBondContact O-N 2.97Å; P124-K126 VanDerWaalsContact O-N 3.12Å
127I81.6Confident86.5Confident26 Ų2665.4 Ų65.413%0.13334%0.336CS..Hα-helixtrans-116.1-7.7-174.353.8167.9000113.2I10 I16 I123 P124 I125 S129 K130 L131I10-I127 HydrophobicContact CG2-CD1 3.25Å; I16-I127 HydrophobicContact CD1-CB 4.27Å; I16-I127 HydrophobicContact CD1-CD1 3.67Å; I16-I127 HydrophobicContact CD1-CG1 4.45Å; I16-I127 HydrophobicContact CD1-CG2 3.45Å; I16-I127 VanDerWaalsContact CD1-CG2 3.45Å; I123-I127 HydrophobicContact CG2-CD1 4.06Å; I123-I127 HydrophobicContact CG2-CG1 3.88Å; P124-I127 HydrophobicContact CB-CD1 4.14Å; P124-I127 HydrophobicContact CB-CG1 3.98Å; P124-I127 HydrophobicContact CG-CD1 4.12Å; P124-I127 HydrophobicContact CG-CG1 4.47Å; P124-I127 WeakPolarHBondContact O-CG1 3.06Å; P124-I127 PolarHBondContact O-N 3.23Å; P124-I127 VanDerWaalsContact O-N 3.08Å; I125-I127 PolarHBondContact O-N 2.92Å; I127-S129 VanDerWaalsContact C-N 3.26Å; I127-S129 PolarHBondContact O-N 3.39Å; I127-K130 PolarHBondContact O-N 2.88Å; I127-L131 HydrophobicContact CB-CD1 4.28Å; I127-L131 HydrophobicContact CB-CG 4.43Å; I127-L131 HydrophobicContact CD1-CD1 3.69Å; I127-L131 HydrophobicContact CG1-CD1 4.41Å; I127-L131 PolarHBondContact O-N 3.17Å
128R87.3Confident86.6Confident71 Ų7160.4 Ų60.427%0.26831%0.309SS..Hα-helixtrans-53.4-40.2-178.1-172.6179.8-62.7-177.6-0.5112.9L120 N121 I123 P124 I125 K130 G132L120-R128 HydrophobicContact CD1-CG 3.64Å; L120-R128 HydrophobicContact CG-CG 4.17Å; L120-R128 PolarHBondContact O-NE 3.12Å; N121-R128 PolarHBondContact O-NH2 3.13Å; I123-R128 HydrophobicContact CG2-CB 4.25Å; I123-R128 PolarHBondContact O-NE 2.63Å; I123-R128 PolarHBondContact O-NH2 3.01Å; P124-R128 PolarHBondContact O-N 3.21Å; I125-R128 PolarHBondContact O-N 3.5Å; R128-K130 VanDerWaalsContact C-N 3.27Å; R128-K130 PolarHBondContact O-N 3.31Å; R128-G132 WeakPolarHBondContact O-CA 3.31Å; R128-G132 PolarHBondContact O-N 3.23Å
129S84.2Confident86.8Confident112 Ų11255.2 Ų55.278%0.78328%0.284SS*.Hα-helixtrans-62.3-32.6179.358.80000113.4I127I127-S129 VanDerWaalsContact C-N 3.26Å; I127-S129 PolarHBondContact O-N 3.39Å
130K83.5Confident87.3Confident47 Ų4755.2 Ų55.220%0.20428%0.283CS..Hα-helixtrans-94.5-57-178.2-163.180.7175.7-168.80111.1C24 L82 I127 R128 S133C24-K130 WeakPolarHBondContact O-CE 3.39Å; C24-K130 PolarHBondContact O-NZ 3.34Å; L82-K130 HydrophobicContact CD1-CD 4.37Å; L82-K130 VanDerWaalsContact CD1-CE 3.48Å; L82-K130 HydrophobicContact CD1-CG 4Å; L82-K130 HydrophobicContact CD2-CD 4.35Å; L82-K130 HydrophobicContact CD2-CG 4.19Å; I127-K130 PolarHBondContact O-N 2.88Å; R128-K130 VanDerWaalsContact C-N 3.27Å; R128-K130 PolarHBondContact O-N 3.31Å; K130-S133 PolarHBondContact O-N 3.08Å; K130-S133 PolarHBondContact O-OG 2.81Å
131L86.3Confident87.7Confident2 Ų253 Ų531%0.0127%0.272CS..Hα-helixtrans-75-27-176.3-67.2-172.5000113.1I10 I78 I123 I127 S133 I134 Y135I10-L131 HydrophobicContact CD1-CD1 4.32Å; I10-L131 HydrophobicContact CG2-CD1 3.91Å; I78-L131 HydrophobicContact CD1-CD2 3.84Å; I78-L131 HydrophobicContact CG2-CD2 3.87Å; I123-L131 HydrophobicContact CG2-CB 4.42Å; I127-L131 HydrophobicContact CB-CD1 4.28Å; I127-L131 HydrophobicContact CB-CG 4.43Å; I127-L131 HydrophobicContact CD1-CD1 3.69Å; I127-L131 HydrophobicContact CG1-CD1 4.41Å; I127-L131 PolarHBondContact O-N 3.17Å; L131-S133 PolarHBondContact O-N 2.81Å; L131-I134 HydrophobicContact CD2-CD1 3.92Å; L131-I134 HydrophobicContact CD2-CG1 4.4Å; L131-I134 VanDerWaalsContact O-CG1 3.29Å; L131-I134 WeakPolarHBondContact O-CG1 3.4Å; L131-I134 PolarHBondContact O-N 2.92Å; L131-I134 VanDerWaalsContact O-N 3.11Å; L131-Y135 HydrophobicContact CB-CD2 4.26Å; L131-Y135 HydrophobicContact CD2-CD2 4.39Å; L131-Y135 HydrophobicContact CD2-CE2 4.43Å; L131-Y135 WeakPolarHBondContact O-CB 3.44Å; L131-Y135 PolarHBondContact O-N 2.85Å
132G87.4Confident88.1Confident5 Ų550.3 Ų50.35%0.05226%0.258CS..Hα-helixtrans-55.6-39.5174.200000112.2R128 I134 A136R128-G132 WeakPolarHBondContact O-CA 3.31Å; R128-G132 PolarHBondContact O-N 3.23Å; G132-I134 PolarHBondContact O-N 3.12Å; G132-A136 WeakPolarHBondContact O-CB 3.22Å; G132-A136 PolarHBondContact O-N 3.22Å
133S83.8Confident88.5Confident65 Ų6545.7 Ų45.746%0.45524%0.236SC..Hα-helixtrans-62.6-16.6-179.7710000115.3K130 L131 Y137K130-S133 PolarHBondContact O-N 3.08Å; K130-S133 PolarHBondContact O-OG 2.81Å; L131-S133 PolarHBondContact O-N 2.81Å; S133-Y137 VanDerWaalsContact O-CE2 3.24Å; S133-Y137 WeakPolarHBondContact O-CE2 3.42Å; S133-Y137 PolarHBondContact O-OH 2.78Å; S133-Y137 VanDerWaalsContact O-OH 3.13Å
134I88.3Confident88.9Confident17 Ų1748.3 Ų48.39%0.08725%0.251CS..Hα-helixtrans-122.6-21.7-17761.4169.2000113.8I78 L82 P92 L131 G132I78-I134 HydrophobicContact CB-CD1 4.5Å; I78-I134 HydrophobicContact CD1-CD1 4.46Å; I78-I134 HydrophobicContact CG1-CD1 4.19Å; I78-I134 HydrophobicContact CG2-CD1 3.86Å; L82-I134 HydrophobicContact CD2-CD1 4.39Å; L82-I134 HydrophobicContact CD2-CG2 4.2Å; P92-I134 HydrophobicContact CG-CD1 4.5Å; L131-I134 HydrophobicContact CD2-CD1 3.92Å; L131-I134 HydrophobicContact CD2-CG1 4.4Å; L131-I134 VanDerWaalsContact O-CG1 3.29Å; L131-I134 WeakPolarHBondContact O-CG1 3.4Å; L131-I134 PolarHBondContact O-N 2.92Å; L131-I134 VanDerWaalsContact O-N 3.11Å; G132-I134 PolarHBondContact O-N 3.12Å
135Y89.2Confident88.9Confident13 Ų1355.6 Ų55.65%0.05129%0.289CS..Hα-helixtrans-110.2-15.4-179.5-82.2-72.7000114.5N3 L6 F74 I78 P92 I119 L131 Y137N3-Y135 PolarHBondContact O-OH 2.92Å; L6-Y135 HydrophobicContact CB-CD1 4.27Å; L6-Y135 HydrophobicContact CD1-CD1 4.21Å; L6-Y135 HydrophobicContact CD1-CD2 3.9Å; L6-Y135 HydrophobicContact CD1-CE1 4.41Å; L6-Y135 HydrophobicContact CD1-CE2 4.12Å; L6-Y135 HydrophobicContact CD1-CG 3.96Å; F74-Y135 WeakPolarHBondContact CE2-OH 3.47Å; I78-Y135 HydrophobicContact CD1-CE2 3.7Å; I78-Y135 HydrophobicContact CG1-CE2 4.33Å; P92-Y135 HydrophobicContact CB-CD1 3.96Å; P92-Y135 HydrophobicContact CB-CE1 3.6Å; P92-Y135 HydrophobicContact CG-CD1 3.91Å; P92-Y135 HydrophobicContact CG-CD2 4.2Å; P92-Y135 HydrophobicContact CG-CE1 3.38Å; P92-Y135 HydrophobicContact CG-CE2 3.71Å; P92-Y135 HydrophobicContact CG-CG 4.27Å; P92-Y135 WeakPolarHBondContact CG-OH 3.29Å; I119-Y135 VanDerWaalsContact CG2-O 3.29Å; I119-Y135 WeakPolarHBondContact CG2-O 3.33Å; L131-Y135 HydrophobicContact CB-CD2 4.26Å; L131-Y135 HydrophobicContact CD2-CD2 4.39Å; L131-Y135 HydrophobicContact CD2-CE2 4.43Å; L131-Y135 WeakPolarHBondContact O-CB 3.44Å; L131-Y135 PolarHBondContact O-N 2.85Å; Y135-Y137 PolarHBondContact O-N 3.11Å
136A91.2Very high88.8Confident12 Ų1251.2 Ų51.210%0.09928%0.278CS..SBendtrans-77.545.917800000112.5N116 L120 G132N116-A136 PolarHBondContact N-O 3.38Å; L120-A136 HydrophobicContact CB-CB 3.69Å; L120-A136 HydrophobicContact CD1-CB 3.84Å; L120-A136 HydrophobicContact CG-CB 4.29Å; G132-A136 WeakPolarHBondContact O-CB 3.22Å; G132-A136 PolarHBondContact O-N 3.22Å
137Y91Very high89.4Confident95 Ų9545.9 Ų45.937%0.37325%0.253SS..EExtended strand (participates in β ladder)trans-126.2141.7175.7-57.8-82000109.5I113 I114 I119 S133 Y135I113-Y137 HydrophobicContact CG2-CD1 3.86Å; I113-Y137 HydrophobicContact CG2-CG 3.87Å; I114-Y137 CarbonylContact O-C 3.2Å; I114-Y137 VanDerWaalsContact O-CA 3.25Å; I114-Y137 WeakPolarHBondContact O-CA 3.38Å; I119-Y137 WeakPolarHBondContact CD1-O 3.49Å; S133-Y137 VanDerWaalsContact O-CE2 3.24Å; S133-Y137 WeakPolarHBondContact O-CE2 3.42Å; S133-Y137 PolarHBondContact O-OH 2.78Å; S133-Y137 VanDerWaalsContact O-OH 3.13Å; Y135-Y137 PolarHBondContact O-N 3.11Å
138D91.7Very high89.9Confident13 Ų1348 Ų487%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-115.6-179.3170.4-161.6-6.1000108.3P94 I113 I114 N116 I119 K154P94-D138 WeakPolarHBondContact CG-O 3.48Å; I113-D138 WeakPolarHBondContact CA-O 3.34Å; I114-D138 HydrophobicContact CD1-CB 4.33Å; I114-D138 HydrophobicContact CG1-CB 4Å; I114-D138 PolarHBondContact N-O 3.27Å; I114-D138 PolarHBondContact O-N 3.15Å; N116-D138 HydrophobicContact CB-CB 3.62Å; N116-D138 PolarHBondContact ND2-OD2 3.35Å; I119-D138 HydrophobicContact CD1-CB 3.85Å; D138-K154 IonicContact OD1-NZ 2.89Å; D138-K154 PolarHBondContact OD1-NZ 2.95Å; D138-K154 IonicContact OD2-NZ 3.42Å; D138-K154 PolarHBondContact OD2-NZ 3.18Å
139Y93.2Very high90.2Very high28 Ų2845.1 Ų45.111%0.1126%0.257CS..EExtended strand (participates in β ladder)trans-120.9154.7175.269.5-84.6000112.1P94 V100 M112 F149 K154P94-Y139 HydrophobicContact CB-CD1 4.07Å; V100-Y139 HydrophobicContact CG2-CD1 4.16Å; V100-Y139 HydrophobicContact CG2-CD2 3.6Å; V100-Y139 HydrophobicContact CG2-CE1 3.77Å; V100-Y139 HydrophobicContact CG2-CE2 3.17Å; V100-Y139 HydrophobicContact CG2-CG 4.06Å; M112-Y139 CarbonylContact O-C 3.51Å; M112-Y139 WeakPolarHBondContact O-CA 3.2Å; Y139-F149 HydrophobicContact CD2-CZ 4.12Å; Y139-F149 HydrophobicContact CE2-CE2 4.46Å; Y139-F149 AromaticContact CE2-CZ 3.77Å; Y139-F149 HydrophobicContact CE2-CZ 3.77Å; Y139-F149 WeakPolarHBondContact O-CE1 3.46Å; Y139-K154 HydrophobicContact CE1-CD 4.16Å; Y139-K154 HydrophobicContact CE2-CD 4.49Å
140E95.2Very high90.7Very high52 Ų5242 Ų4224%0.24323%0.232CC..EExtended strand (participates in β ladder)trans-132123171.2-179169.4172.300108.9M112 I114 F149 H151M112-E140 HydrophobicContact CE-CB 4.26Å; M112-E140 HydrophobicContact CE-CG 4.05Å; M112-E140 PolarHBondContact N-O 3.33Å; M112-E140 PolarHBondContact O-N 3.25Å; I114-E140 HydrophobicContact CD1-CB 4.21Å; I114-E140 HydrophobicContact CG2-CB 4.23Å; E140-F149 HydrophobicContact CB-CD1 4.14Å; E140-F149 HydrophobicContact CB-CE1 4.47Å; E140-F149 HydrophobicContact CG-CB 3.74Å; E140-F149 HydrophobicContact CG-CD1 3.71Å; E140-F149 HydrophobicContact CG-CE1 4.49Å; E140-F149 HydrophobicContact CG-CG 3.83Å; E140-H151 IonicContact OE2-CE1 2.74Å; E140-H151 PolarHBondContact OE2-CE1 3.29Å; E140-H151 IonicContact OE2-NE2 3.01Å
141C96.7Very high91Very high1 Ų143.6 Ų43.61%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-81.2136.5173.2-590000109.7C101 L110 C143 F149C101-C141 WeakPolarHBondContact CA-SG 3.38Å; C101-C141 HydrophobicContact CB-CB 3.76Å; C101-C141 WeakPolarHBondContact CB-SG 3.33Å; C101-C141 WeakPolarHBondContact SG-CA 3.39Å; C101-C141 WeakPolarHBondContact SG-CB 3.4Å; C101-C141 CovalentContact SG-SG 2.04Å; C101-C141 PolarHBondContact SG-SG 3.32Å; L110-C141 WeakPolarHBondContact O-CA 3.34Å; C141-C143 PolarHBondContact O-N 2.04Å; C141-F149 HydrophobicContact CB-CD2 3.71Å; C141-F149 HydrophobicContact CB-CE2 3.62Å
142V95.6Very high91.2Very high39 Ų3949.8 Ų49.824%0.23628%0.278CS..EExtended strand (participates in β ladder)trans-76.4118.2174.6-173.10000109N108 L110 M112N108-V142 PolarHBondContact N-O 3.39Å; N108-V142 WeakPolarHBondContact ND2-CG1 3.44Å; N108-V142 WeakPolarHBondContact OD1-CB 3.4Å; N108-V142 PolarHBondContact OD1-O 3.19Å; L110-V142 HydrophobicContact CB-CB 4.12Å; L110-V142 HydrophobicContact CB-CG2 4Å; L110-V142 HydrophobicContact CD2-CB 4.46Å; L110-V142 HydrophobicContact CD2-CG2 3.79Å; L110-V142 HydrophobicContact CG-CG2 4Å; L110-V142 PolarHBondContact O-N 2.8Å; M112-V142 HydrophobicContact CE-CG2 3.9Å; M112-V142 HydrophobicContact CG-CG2 3.82Å; M112-V142 HydrophobicContact SD-CG2 3.76Å
143C95Very high91.4Very high23 Ų2354.3 Ų54.316%0.15530%0.3CS..EExtended strand (participates in β ladder)trans-83.8155-176.1-56.10000112.5N106 C141 Y147 F149 C156N106-C143 WeakPolarHBondContact O-CA 3.4Å; C141-C143 PolarHBondContact O-N 2.04Å; C143-Y147 WeakPolarHBondContact CB-O 3.27Å; C143-F149 PolarHBondContact SG-N 2.85Å; C143-C156 WeakPolarHBondContact CA-SG 3.48Å; C143-C156 HydrophobicContact CB-CB 3.78Å; C143-C156 WeakPolarHBondContact CB-SG 3.29Å; C143-C156 VanDerWaalsContact SG-CA 3.54Å; C143-C156 WeakPolarHBondContact SG-CB 3.36Å; C143-C156 CovalentContact SG-SG 2.03Å; C143-C156 PolarHBondContact SG-SG 3.17Å
144V93.8Very high91.9Very high56 Ų5654.5 Ų54.534%0.33929%0.293SS..PPolyproline II helixtrans-68.9162.3169.2-56.30000110.8N106 N108 G146 Y147N106-V144 WeakPolarHBondContact O-CG2 3.4Å; N106-V144 PolarHBondContact O-N 3.1Å; N108-V144 HydrophobicContact CB-CG1 4.35Å; V144-G146 PolarHBondContact O-N 3.42Å; V144-Y147 HydrophobicContact CG2-CD2 3.61Å; V144-Y147 HydrophobicContact CG2-CE2 4.11Å; V144-Y147 HydrophobicContact CG2-CG 4.35Å; V144-Y147 PolarHBondContact O-N 3.49Å; V144-Y147 VanDerWaalsContact O-N 3.09Å
145N86.8Confident92.1Very high166 Ų16658.7 Ų58.789%0.88831%0.31SS*.THydrogen-bonded Turntrans-52.8134.3179.2-79.8-3.9000111.9
146G83.9Confident92.4Very high44 Ų4458.2 Ų58.245%0.45431%0.309SS..THydrogen-bonded Turntrans89.5-1.1-177.800000114.5V144 P158 I159V144-G146 PolarHBondContact O-N 3.42Å; G146-P158 WeakPolarHBondContact O-CA 3.03Å; G146-I159 PolarHBondContact O-N 3.44Å
147Y92.1Very high92.4Very high77 Ų7759.1 Ų59.130%0.30231%0.313SS..EExtended strand (participates in β ladder)trans-123.7152177.2-66.2-102.1000111.5N106 C143 V144 V157 P158N106-Y147 HydrophobicContact CB-CD1 3.62Å; N106-Y147 HydrophobicContact CB-CD2 4.37Å; N106-Y147 HydrophobicContact CB-CE1 3.86Å; N106-Y147 HydrophobicContact CB-CG 3.92Å; N106-Y147 WeakPolarHBondContact ND2-CE1 3.49Å; C143-Y147 WeakPolarHBondContact CB-O 3.27Å; V144-Y147 HydrophobicContact CG2-CD2 3.61Å; V144-Y147 HydrophobicContact CG2-CE2 4.11Å; V144-Y147 HydrophobicContact CG2-CG 4.35Å; V144-Y147 PolarHBondContact O-N 3.49Å; V144-Y147 VanDerWaalsContact O-N 3.09Å; Y147-V157 CarbonylContact C-O 3.47Å; Y147-V157 WeakPolarHBondContact CA-O 3.31Å; Y147-V157 WeakPolarHBondContact CB-O 3.44Å; Y147-P158 HydrophobicContact CD1-CB 4.49Å; Y147-P158 HydrophobicContact CD1-CG 4.15Å; Y147-P158 HydrophobicContact CE1-CB 4.34Å; Y147-P158 HydrophobicContact CE1-CG 3.69Å
148T91.4Very high92.3Very high71 Ų7158.5 Ų58.544%0.43632%0.321SS..EExtended strand (participates in β ladder)trans-129.8148174.4-172.10000109.4N150 C156 V157 I159T148-N150 PolarHBondContact O-N 3.48Å; T148-C156 WeakPolarHBondContact O-CA 3.24Å; T148-V157 HydrophobicContact CG2-CG2 4.05Å; T148-V157 PolarHBondContact N-O 3.25Å; T148-V157 PolarHBondContact O-N 2.68Å; T148-I159 HydrophobicContact CG2-CG1 4.37Å
149F94.2Very high91.8Very high10 Ų1062.1 Ų62.14%0.04434%0.339CS..EExtended strand (participates in β ladder)trans-74.8131.3-179.9-167.4-106000110.3Y139 E140 C141 C143 H151 K154Y139-F149 HydrophobicContact CD2-CZ 4.12Å; Y139-F149 HydrophobicContact CE2-CE2 4.46Å; Y139-F149 AromaticContact CE2-CZ 3.77Å; Y139-F149 HydrophobicContact CE2-CZ 3.77Å; Y139-F149 WeakPolarHBondContact O-CE1 3.46Å; E140-F149 HydrophobicContact CB-CD1 4.14Å; E140-F149 HydrophobicContact CB-CE1 4.47Å; E140-F149 HydrophobicContact CG-CB 3.74Å; E140-F149 HydrophobicContact CG-CD1 3.71Å; E140-F149 HydrophobicContact CG-CE1 4.49Å; E140-F149 HydrophobicContact CG-CG 3.83Å; C141-F149 HydrophobicContact CB-CD2 3.71Å; C141-F149 HydrophobicContact CB-CE2 3.62Å; C143-F149 PolarHBondContact SG-N 2.85Å; F149-H151 AromaticContact CD1-CE1 3.94Å; F149-H151 AromaticContact CD1-ND1 3.77Å; F149-H151 AromaticContact CE1-ND1 3.94Å; F149-K154 HydrophobicContact CZ-CD 4.41Å
150N93.7Very high90.7Very high47 Ų4770.4 Ų70.425%0.25138%0.376SS..EExtended strand (participates in β ladder)trans-100.9108.1173.2-174-57.8000109.1T148 T152 L153 K154 K155 V157T148-N150 PolarHBondContact O-N 3.48Å; N150-T152 PolarHBondContact O-N 3.47Å; N150-T152 WeakPolarHBondContact OD1-CB 3.37Å; N150-T152 PolarHBondContact OD1-N 2.89Å; N150-T152 VanDerWaalsContact OD1-N 3.08Å; N150-L153 HydrophobicContact CB-CB 4.17Å; N150-L153 PolarHBondContact O-N 2.65Å; N150-L153 PolarHBondContact OD1-N 3.07Å; N150-K154 WeakPolarHBondContact O-CA 3.02Å; N150-K154 PolarHBondContact O-N 3.03Å; N150-K155 WeakPolarHBondContact CB-O 3.01Å; N150-K155 PolarHBondContact N-O 2.03Å; N150-V157 HydrophobicContact CB-CG1 3.91Å; N150-V157 HydrophobicContact CB-CG2 3.92Å
151H91.1Very high89.3Confident79 Ų7972.4 Ų72.437%0.36638%0.384SS..THydrogen-bonded Turntrans-62.5-28.8-176.7-62.2-80.4000113.7I114 E140 F149 K154I114-H151 WeakPolarHBondContact CD1-CE1 3.07Å; E140-H151 IonicContact OE2-CE1 2.74Å; E140-H151 PolarHBondContact OE2-CE1 3.29Å; E140-H151 IonicContact OE2-NE2 3.01Å; F149-H151 AromaticContact CD1-CE1 3.94Å; F149-H151 AromaticContact CD1-ND1 3.77Å; F149-H151 AromaticContact CE1-ND1 3.94Å; H151-K154 VanDerWaalsContact O-CD 3.26Å; H151-K154 WeakPolarHBondContact O-CD 3.25Å; H151-K154 WeakPolarHBondContact O-CE 3.36Å; H151-K154 PolarHBondContact O-NZ 2.86Å
152T90Very high88Confident133 Ų13380.9 Ų80.982%0.81642%0.423SS*.THydrogen-bonded Turntrans-75.9-44.9177.7-48.60000111.7N150 K154N150-T152 PolarHBondContact O-N 3.47Å; N150-T152 WeakPolarHBondContact OD1-CB 3.37Å; N150-T152 PolarHBondContact OD1-N 2.89Å; N150-T152 VanDerWaalsContact OD1-N 3.08Å; T152-K154 VanDerWaalsContact C-N 3.33Å
153L92.7Very high87.2Confident99 Ų9979.8 Ų79.852%0.51842%0.416SS..THydrogen-bonded Turntrans-84.2-8.6-179.4-62177.4000113.3N150 K155 V157N150-L153 HydrophobicContact CB-CB 4.17Å; N150-L153 PolarHBondContact O-N 2.65Å; N150-L153 PolarHBondContact OD1-N 3.07Å; L153-K155 HydrophobicContact CB-CD 4.44Å; L153-K155 HydrophobicContact CB-CG 3.92Å; L153-K155 PolarHBondContact O-N 2.85Å; L153-V157 HydrophobicContact CD1-CG1 4.19Å
154K92.8Very high86.4Confident69 Ų6982.9 Ų82.930%0.343%0.431SS..THydrogen-bonded Turntrans52.838.7-177.5-61.5-62.9179.5-170.80113.9D138 Y139 F149 N150 H151 T152D138-K154 IonicContact OD1-NZ 2.89Å; D138-K154 PolarHBondContact OD1-NZ 2.95Å; D138-K154 IonicContact OD2-NZ 3.42Å; D138-K154 PolarHBondContact OD2-NZ 3.18Å; Y139-K154 HydrophobicContact CE1-CD 4.16Å; Y139-K154 HydrophobicContact CE2-CD 4.49Å; F149-K154 HydrophobicContact CZ-CD 4.41Å; N150-K154 WeakPolarHBondContact O-CA 3.02Å; N150-K154 PolarHBondContact O-N 3.03Å; H151-K154 VanDerWaalsContact O-CD 3.26Å; H151-K154 WeakPolarHBondContact O-CD 3.25Å; H151-K154 WeakPolarHBondContact O-CE 3.36Å; H151-K154 PolarHBondContact O-NZ 2.86Å; T152-K154 VanDerWaalsContact C-N 3.33Å
155K94.1Very high85.9Confident106 Ų10683.2 Ų83.246%0.46144%0.437SS..EExtended strand (participates in β ladder)trans-152.1156.2179.767-177.2-178.4178.10112.3D104 N150 L153 V157D104-K155 WeakPolarHBondContact OD2-CA 3.26Å; D104-K155 WeakPolarHBondContact OD2-CB 3.06Å; N150-K155 WeakPolarHBondContact CB-O 3.01Å; N150-K155 PolarHBondContact N-O 2.03Å; L153-K155 HydrophobicContact CB-CD 4.44Å; L153-K155 HydrophobicContact CB-CG 3.92Å; L153-K155 PolarHBondContact O-N 2.85Å; K155-V157 HydrophobicContact CG-CG1 4.16Å; K155-V157 PolarHBondContact O-N 3.44Å
156C94.7Very high85.8Confident3 Ų379.5 Ų79.52%0.0242%0.423CS..EExtended strand (participates in β ladder)trans-68.4118.6168.7-69.60000110.5D104 N106 C143 T148D104-C156 WeakPolarHBondContact OD2-CB 3.4Å; D104-C156 PolarHBondContact OD2-N 3.31Å; N106-C156 HydrophobicContact CB-CB 3.69Å; C143-C156 WeakPolarHBondContact CA-SG 3.48Å; C143-C156 HydrophobicContact CB-CB 3.78Å; C143-C156 WeakPolarHBondContact CB-SG 3.29Å; C143-C156 VanDerWaalsContact SG-CA 3.54Å; C143-C156 WeakPolarHBondContact SG-CB 3.36Å; C143-C156 CovalentContact SG-SG 2.03Å; C143-C156 PolarHBondContact SG-SG 3.17Å; T148-C156 WeakPolarHBondContact O-CA 3.24Å
157V91.9Very high86.1Confident31 Ų3179.9 Ų79.919%0.18842%0.417CS..EExtended strand (participates in β ladder)trans-112.7152.5176.6-60.40000109.8Y147 T148 N150 L153 K155 I159Y147-V157 CarbonylContact C-O 3.47Å; Y147-V157 WeakPolarHBondContact CA-O 3.31Å; Y147-V157 WeakPolarHBondContact CB-O 3.44Å; T148-V157 HydrophobicContact CG2-CG2 4.05Å; T148-V157 PolarHBondContact N-O 3.25Å; T148-V157 PolarHBondContact O-N 2.68Å; N150-V157 HydrophobicContact CB-CG1 3.91Å; N150-V157 HydrophobicContact CB-CG2 3.92Å; L153-V157 HydrophobicContact CD1-CG1 4.19Å; K155-V157 HydrophobicContact CG-CG1 4.16Å; K155-V157 PolarHBondContact O-N 3.44Å; V157-I159 PolarHBondContact O-N 3.36Å
158P88.3Confident86.1Confident82 Ų8276.7 Ų76.753%0.53241%0.406SS..EExtended strand (participates in β ladder)trans-53.4136.5176.5-25.133000111.2G146 Y147 K160G146-P158 WeakPolarHBondContact O-CA 3.03Å; Y147-P158 HydrophobicContact CD1-CB 4.49Å; Y147-P158 HydrophobicContact CD1-CG 4.15Å; Y147-P158 HydrophobicContact CE1-CB 4.34Å; Y147-P158 HydrophobicContact CE1-CG 3.69Å; P158-K160 PolarHBondContact O-N 3.11Å
159I81.4Confident86.3Confident88 Ų8877.3 Ų77.345%0.45141%0.406SS..  trans-60.4112.8170-63.7168.3000106G146 T148 V157 K161G146-I159 PolarHBondContact O-N 3.44Å; T148-I159 HydrophobicContact CG2-CG1 4.37Å; V157-I159 PolarHBondContact O-N 3.36Å; I159-K161 VanDerWaalsContact C-N 3.27Å; I159-K161 PolarHBondContact O-N 2.04Å
160K69.4Low86.2Confident203 Ų20379.5 Ų79.588%0.88342%0.418SS*.  trans-64.395.9166.7-68.6-174.6-179.7-177.10106.5P158 H162P158-K160 PolarHBondContact O-N 3.11Å; K160-H162 PolarHBondContact O-N 3.48Å
161K66.2Low86.1Confident94 Ų9484.4 Ų84.441%0.40944%0.444SS..PPolyproline II helixtrans-57116.7170.9-77.7179.9172.2-171.20106.8I159 C163 Y176 E188I159-K161 VanDerWaalsContact C-N 3.27Å; I159-K161 PolarHBondContact O-N 2.04Å; K161-C163 PolarHBondContact O-N 3.15Å; K161-Y176 HydrophobicContact CB-CD2 3.93Å; K161-Y176 HydrophobicContact CB-CE2 4.1Å; K161-Y176 HydrophobicContact CB-CG 4.39Å; K161-Y176 HydrophobicContact CD-CD2 3.97Å; K161-Y176 HydrophobicContact CD-CE1 4.31Å; K161-Y176 HydrophobicContact CD-CE2 3.24Å; K161-Y176 VanDerWaalsContact CD-CZ 3.45Å; K161-Y176 WeakPolarHBondContact CD-OH 3.43Å; K161-Y176 HydrophobicContact CG-CE2 4.3Å; K161-Y176 PolarHBondContact NZ-OH 3.38Å; K161-E188 IonicContact NZ-OE1 3.84Å
162H68.4Low86.2Confident178 Ų17881 Ų8182%0.82443%0.431SS*.PPolyproline II helixtrans-72.2117.5176.8-171.565.8000107.3K160K160-H162 PolarHBondContact O-N 3.48Å
163C78.7Confident86.3Confident16 Ų1681 Ų8111%0.10842%0.421CS..PPolyproline II helixtrans-76.5138.1170.7-63.30000109K161 S165 C174 Y176 F189K161-C163 PolarHBondContact O-N 3.15Å; C163-S165 PolarHBondContact O-N 3.28Å; C163-C174 HydrophobicContact CB-CB 3.64Å; C163-C174 WeakPolarHBondContact CB-SG 3.28Å; C163-Y176 PolarHBondContact SG-N 3.45Å; C163-F189 HydrophobicContact CB-CB 4.32Å
164D79.9Confident86.2Confident88 Ų8877.2 Ų77.247%0.47140%0.403SS..  trans-73.496.6170.7-176.73.9000109.5S166 V167D164-S166 PolarHBondContact O-N 3.23Å; D164-S166 WeakPolarHBondContact OD1-CB 3.49Å; D164-S166 PolarHBondContact OD1-N 3.32Å; D164-S166 PolarHBondContact OD1-OG 3.35Å; D164-S166 PolarHBondContact OD2-OG 3.48Å; D164-V167 HydrophobicContact CB-CG2 4.36Å; D164-V167 PolarHBondContact O-N 3.04Å
165S81.5Confident85.9Confident64 Ų6478.2 Ų78.245%0.44841%0.409SS..G310 helixtrans-60.6-14.9177.7-60.70000113.3C163 V167 C168C163-S165 PolarHBondContact O-N 3.28Å; S165-V167 PolarHBondContact O-N 2.85Å; S165-C168 PolarHBondContact O-N 3.31Å; S165-C168 VanDerWaalsContact O-N 3.12Å
166S86.5Confident85.3Confident87 Ų8776.4 Ų76.461%0.60840%0.4SS*.G310 helixtrans-63.4-21.9176.779.20000113D164 C168D164-S166 PolarHBondContact O-N 3.23Å; D164-S166 WeakPolarHBondContact OD1-CB 3.49Å; D164-S166 PolarHBondContact OD1-N 3.32Å; D164-S166 PolarHBondContact OD1-OG 3.35Å; D164-S166 PolarHBondContact OD2-OG 3.48Å; S166-C168 VanDerWaalsContact C-N 3.32Å
167V89.2Confident84.3Confident52 Ų5277.7 Ų77.732%0.31541%0.406SS..G310 helixtrans-74.1-24.5177.4-174.50000112.1D164 S165 L169 F189 S201D164-V167 HydrophobicContact CB-CG2 4.36Å; D164-V167 PolarHBondContact O-N 3.04Å; S165-V167 PolarHBondContact O-N 2.85Å; V167-L169 PolarHBondContact O-N 3.09Å; V167-F189 HydrophobicContact CB-CE2 3.83Å; V167-F189 HydrophobicContact CB-CZ 3.79Å; V167-F189 HydrophobicContact CG1-CE2 3.7Å; V167-F189 HydrophobicContact CG1-CZ 3.66Å; V167-F189 HydrophobicContact CG2-CE2 4.39Å; V167-F189 HydrophobicContact CG2-CZ 3.86Å; V167-S201 VanDerWaalsContact O-CB 3.3Å; V167-S201 WeakPolarHBondContact O-CB 3.31Å; V167-S201 PolarHBondContact O-OG 2.71Å
168C92.8Very high83.3Confident10 Ų1078.4 Ų78.47%0.06841%0.411CS..SBendtrans-88.8105.6178.9-590000110.7S165 S166 G172 C191S165-C168 PolarHBondContact O-N 3.31Å; S165-C168 VanDerWaalsContact O-N 3.12Å; S166-C168 VanDerWaalsContact C-N 3.32Å; C168-G172 VanDerWaalsContact CB-O 3.22Å; C168-G172 WeakPolarHBondContact CB-O 3.31Å; C168-C191 WeakPolarHBondContact CA-SG 3.29Å; C168-C191 HydrophobicContact CB-CB 3.76Å; C168-C191 WeakPolarHBondContact CB-SG 3.45Å; C168-C191 VanDerWaalsContact SG-CA 3.53Å; C168-C191 WeakPolarHBondContact SG-CB 3.47Å; C168-C191 CovalentContact SG-SG 2.04Å; C168-C191 PolarHBondContact SG-SG 2.97Å
169L94Very high82.6Confident84 Ų8481.6 Ų81.644%0.4442%0.419SS..  trans-72.9166.6-179.4-55.2179.6000111.7V167 N171 G172 S201 C202 E203V167-L169 PolarHBondContact O-N 3.09Å; L169-N171 PolarHBondContact O-N 2.68Å; L169-G172 PolarHBondContact O-N 2.94Å; L169-S201 WeakPolarHBondContact CA-O 3.49Å; L169-S201 VanDerWaalsContact CB-O 3.24Å; L169-S201 WeakPolarHBondContact CB-O 3.47Å; L169-S201 PolarHBondContact N-O 3.36Å; L169-C202 WeakPolarHBondContact O-CB 3.23Å; L169-E203 HydrophobicContact CD1-CB 3.83Å
170N93.8Very high82.3Confident56 Ų5683.9 Ų83.930%0.29943%0.432SS..THydrogen-bonded Turntrans54.436.9173.8-58.8-58.8000114G172 P194 W197 C202N170-G172 VanDerWaalsContact C-N 3.29Å; N170-G172 PolarHBondContact O-N 3.06Å; N170-P194 WeakPolarHBondContact O-CG 3.45Å; N170-W197 HydrophobicContact CB-CD2 3.64Å; N170-W197 HydrophobicContact CB-CE3 4.25Å; N170-W197 HydrophobicContact CB-CG 3.76Å; N170-W197 HydrophobicContact CB-CZ2 4.08Å; N170-W197 VanDerWaalsContact CG-CD2 3.46Å; N170-W197 VanDerWaalsContact CG-CZ2 3.5Å; N170-W197 WeakPolarHBondContact ND2-CZ3 3Å; N170-W197 WeakPolarHBondContact OD1-CH2 3.21Å; N170-W197 VanDerWaalsContact OD1-CZ2 3.27Å; N170-W197 WeakPolarHBondContact OD1-CZ2 3.43Å; N170-C202 PolarHBondContact ND2-O 3.2Å
171N91.3Very high82.7Confident150 Ų15080 Ų8080%0.80242%0.417SS*.THydrogen-bonded Turntrans64.229-176-55.771.3000113.8L169L169-N171 PolarHBondContact O-N 2.68Å
172G92.7Very high83.1Confident8 Ų877.7 Ų77.78%0.08241%0.406CS..PPolyproline II helixtrans-62.2141.3169.400000111.6C168 L169 N170 K192C168-G172 VanDerWaalsContact CB-O 3.22Å; C168-G172 WeakPolarHBondContact CB-O 3.31Å; L169-G172 PolarHBondContact O-N 2.94Å; N170-G172 VanDerWaalsContact C-N 3.29Å; N170-G172 PolarHBondContact O-N 3.06Å; G172-K192 VanDerWaalsContact CA-O 3.31Å; G172-K192 WeakPolarHBondContact CA-O 3.08Å
173E92Very high83.4Confident133 Ų13374.9 Ų74.962%0.62141%0.406SS*.EExtended strand (participates in β ladder)trans-93.6134.7176.1-176.3179.4-170.600109.6C191 K192E173-C191 CarbonylContact O-C 3.54Å; E173-C191 WeakPolarHBondContact O-CA 3.41Å; E173-K192 HydrophobicContact CB-CB 4.31Å; E173-K192 PolarHBondContact N-O 3.2Å; E173-K192 PolarHBondContact O-N 3.13Å
174C89.7Confident83.2Confident19 Ų1978.1 Ų78.113%0.12842%0.422CS..EExtended strand (participates in β ladder)trans-93.9130.2-177.6-157.40000111.9C163 F189C163-C174 HydrophobicContact CB-CB 3.64Å; C163-C174 WeakPolarHBondContact CB-SG 3.28Å; C174-F189 VanDerWaalsContact SG-CB 3.6Å; C174-F189 WeakPolarHBondContact SG-CD2 3.41Å; C174-F189 VanDerWaalsContact SG-CG 3.53Å
175E86.9Confident82.9Confident90 Ų9078.9 Ų78.942%0.42143%0.431SS..EExtended strand (participates in β ladder)trans-121.4132176.6-179.4169.5-122.300110.4F189 I190 K192E175-F189 CarbonylContact O-C 3.51Å; E175-F189 WeakPolarHBondContact O-CA 3.1Å; E175-F189 WeakPolarHBondContact O-CB 3.33Å; E175-I190 HydrophobicContact CB-CG2 4.19Å; E175-I190 PolarHBondContact N-O 3.42Å; E175-I190 PolarHBondContact O-N 2.04Å; E175-K192 IonicContact OE1-NZ 3.82Å; E175-K192 PolarHBondContact OE1-NZ 2.85Å; E175-K192 WeakPolarHBondContact OE2-CE 3.5Å; E175-K192 IonicContact OE2-NZ 3.76Å; E175-K192 PolarHBondContact OE2-NZ 3.47Å
176Y81Confident82.6Confident69 Ų6983 Ų8327%0.27145%0.448SS..EExtended strand (participates in β ladder)trans-73.4133.9176.6179.4-98.8000110.6K161 C163 R182 E188K161-Y176 HydrophobicContact CB-CD2 3.93Å; K161-Y176 HydrophobicContact CB-CE2 4.1Å; K161-Y176 HydrophobicContact CB-CG 4.39Å; K161-Y176 HydrophobicContact CD-CD2 3.97Å; K161-Y176 HydrophobicContact CD-CE1 4.31Å; K161-Y176 HydrophobicContact CD-CE2 3.24Å; K161-Y176 VanDerWaalsContact CD-CZ 3.45Å; K161-Y176 WeakPolarHBondContact CD-OH 3.43Å; K161-Y176 HydrophobicContact CG-CE2 4.3Å; K161-Y176 PolarHBondContact NZ-OH 3.38Å; C163-Y176 PolarHBondContact SG-N 3.45Å; Y176-R182 PolarHBondContact OH-NH2 2.83Å; Y176-E188 WeakPolarHBondContact CD2-O 3.48Å; Y176-E188 HydrophobicContact CE2-CB 4.21Å; Y176-E188 WeakPolarHBondContact CE2-O 3.49Å
177L75.2Confident81.9Confident29 Ų2981.3 Ų81.315%0.15243%0.432CS..PPolyproline II helixtrans-98.1116.9174.2-71.7174.5000110.4R182 I187 E188 I190L177-R182 HydrophobicContact CB-CG 4.23Å; L177-R182 PolarHBondContact O-NE 3.06Å; L177-R182 VanDerWaalsContact O-NE 3.1Å; L177-I187 HydrophobicContact CD1-CG2 4.33Å; L177-E188 PolarHBondContact N-O 2.81Å; L177-I190 HydrophobicContact CD1-CB 3.91Å; L177-I190 HydrophobicContact CD1-CG2 4.15Å; L177-I190 HydrophobicContact CD2-CG2 3.99Å; L177-I190 HydrophobicContact CG-CB 4.22Å; L177-I190 HydrophobicContact CG-CG2 3.94Å
178P70.9Confident81.3Confident47 Ų4783 Ų8331%0.30544%0.436SS..PPolyproline II helixtrans-64.3150.2173.329.6-33.7000110.6N180 E181 R182P178-N180 VanDerWaalsContact CB-OD1 3.24Å; P178-N180 WeakPolarHBondContact CB-OD1 3.47Å; P178-N180 VanDerWaalsContact CG-OD1 3.3Å; P178-N180 WeakPolarHBondContact CG-OD1 3.08Å; P178-N180 PolarHBondContact O-N 2.96Å; P178-N180 VanDerWaalsContact O-N 3.08Å; P178-N180 PolarHBondContact O-OD1 3.27Å; P178-E181 HydrophobicContact CG-CB 4.15Å; P178-E181 HydrophobicContact CG-CG 4.01Å; P178-E181 PolarHBondContact O-N 3.39Å; P178-R182 PolarHBondContact O-N 2.9Å
179E72.3Confident80.7Confident149 Ų14985.5 Ų85.570%0.69645%0.446SS*.G310 helixtrans-54.8-33.7-170.3-71.8-179.5179.400114E181 R182E179-E181 VanDerWaalsContact C-N 3.28Å; E179-E181 PolarHBondContact O-N 3.32Å; E179-R182 PolarHBondContact O-N 2.8Å
180N76.1Confident80.4Confident135 Ų13585.1 Ų85.172%0.72244%0.444SS*.G310 helixtrans-67.2-23.7177.162.4-25.8000114P178P178-N180 VanDerWaalsContact CB-OD1 3.24Å; P178-N180 WeakPolarHBondContact CB-OD1 3.47Å; P178-N180 VanDerWaalsContact CG-OD1 3.3Å; P178-N180 WeakPolarHBondContact CG-OD1 3.08Å; P178-N180 PolarHBondContact O-N 2.96Å; P178-N180 VanDerWaalsContact O-N 3.08Å; P178-N180 PolarHBondContact O-OD1 3.27Å
181E77.4Confident80.3Confident123 Ų12383 Ų8358%0.57543%0.433SS*.G310 helixtrans-99.2-3.3180-68.3177.1-162.900112.6P178 E179 S183P178-E181 HydrophobicContact CG-CB 4.15Å; P178-E181 HydrophobicContact CG-CG 4.01Å; P178-E181 PolarHBondContact O-N 3.39Å; E179-E181 VanDerWaalsContact C-N 3.28Å; E179-E181 PolarHBondContact O-N 3.32Å; E181-S183 PolarHBondContact O-N 3.42Å
182R75.3Confident80.4Confident45 Ų4580.5 Ų80.517%0.1742%0.415CS..  trans-73.8110179.1-64.9-177.7-170.9-171.5-3.5110.2Y176 L177 P178 E179 I184 I187 E188Y176-R182 PolarHBondContact OH-NH2 2.83Å; L177-R182 HydrophobicContact CB-CG 4.23Å; L177-R182 PolarHBondContact O-NE 3.06Å; L177-R182 VanDerWaalsContact O-NE 3.1Å; P178-R182 PolarHBondContact O-N 2.9Å; E179-R182 PolarHBondContact O-N 2.8Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I187 WeakPolarHBondContact CD-O 3.38Å; R182-I187 WeakPolarHBondContact CG-O 3.08Å; R182-E188 IonicContact CZ-OE1 2.68Å; R182-E188 IonicContact NH1-OE1 2.61Å; R182-E188 PolarHBondContact NH1-OE1 2.92Å; R182-E188 IonicContact NH2-OE1 2.94Å; R182-E188 PolarHBondContact NH2-OE1 3.4Å
183S74.7Confident80.5Confident118 Ų11882 Ų8283%0.82542%0.424SS*.SBendtrans-74.9-24168.554.20000112.7E181E181-S183 PolarHBondContact O-N 3.42Å
184I74.3Confident80.7Confident85 Ų8576.7 Ų76.744%0.43640%0.401SS..SBendtrans-122.9123.9176.1-61170.1000107.5R182 D186 I187R182-I184 VanDerWaalsContact C-N 3.32Å; I184-D186 PolarHBondContact O-N 3.34Å; I184-D186 VanDerWaalsContact O-N 3.14Å; I184-I187 HydrophobicContact CB-CB 4.46Å; I184-I187 HydrophobicContact CB-CD1 3.87Å; I184-I187 HydrophobicContact CB-CG1 3.97Å; I184-I187 HydrophobicContact CD1-CD1 3.59Å; I184-I187 HydrophobicContact CG1-CD1 4.27Å; I184-I187 HydrophobicContact CG2-CD1 4.12Å; I184-I187 HydrophobicContact CG2-CG1 3.95Å; I184-I187 PolarHBondContact O-N 2.59Å
185P72.3Confident81Confident104 Ų10477.4 Ų77.468%0.67541%0.405SS*.THydrogen-bonded Turntrans-54.4-36.4-173.2-26.633000114.8
186D75Confident81.4Confident150 Ų15073.2 Ų73.280%0.80239%0.386SS*.THydrogen-bonded Turntrans-90.10.8-172.2-60.2-33.3000114.3I184I184-D186 PolarHBondContact O-N 3.34Å; I184-D186 VanDerWaalsContact O-N 3.14Å
187I73.3Confident82.2Confident51 Ų5172.7 Ų72.726%0.26238%0.384SS..  trans-97.5104.3179-60.6-175.7000109.4L177 R182 I184 F189L177-I187 HydrophobicContact CD1-CG2 4.33Å; R182-I187 WeakPolarHBondContact CD-O 3.38Å; R182-I187 WeakPolarHBondContact CG-O 3.08Å; I184-I187 HydrophobicContact CB-CB 4.46Å; I184-I187 HydrophobicContact CB-CD1 3.87Å; I184-I187 HydrophobicContact CB-CG1 3.97Å; I184-I187 HydrophobicContact CD1-CD1 3.59Å; I184-I187 HydrophobicContact CG1-CD1 4.27Å; I184-I187 HydrophobicContact CG2-CD1 4.12Å; I184-I187 HydrophobicContact CG2-CG1 3.95Å; I184-I187 PolarHBondContact O-N 2.59Å; I187-F189 WeakPolarHBondContact CG2-O 3.38Å
188E75.7Confident83.1Confident88 Ų8876 Ų7641%0.41140%0.397SS..  trans-86.3-19.7179-56.9-140.1114.500113.8K161 Y176 L177 R182K161-E188 IonicContact NZ-OE1 3.84Å; Y176-E188 WeakPolarHBondContact CD2-O 3.48Å; Y176-E188 HydrophobicContact CE2-CB 4.21Å; Y176-E188 WeakPolarHBondContact CE2-O 3.49Å; L177-E188 PolarHBondContact N-O 2.81Å; R182-E188 IonicContact CZ-OE1 2.68Å; R182-E188 IonicContact NH1-OE1 2.61Å; R182-E188 PolarHBondContact NH1-OE1 2.92Å; R182-E188 IonicContact NH2-OE1 2.94Å; R182-E188 PolarHBondContact NH2-OE1 3.4Å
189F81.2Confident84.2Confident63 Ų6375.4 Ų75.428%0.27640%0.4SS..EExtended strand (participates in β ladder)trans-145.6157-177.664.3-95.2000111.2C163 V167 C174 E175 I187C163-F189 HydrophobicContact CB-CB 4.32Å; V167-F189 HydrophobicContact CB-CE2 3.83Å; V167-F189 HydrophobicContact CB-CZ 3.79Å; V167-F189 HydrophobicContact CG1-CE2 3.7Å; V167-F189 HydrophobicContact CG1-CZ 3.66Å; V167-F189 HydrophobicContact CG2-CE2 4.39Å; V167-F189 HydrophobicContact CG2-CZ 3.86Å; C174-F189 VanDerWaalsContact SG-CB 3.6Å; C174-F189 WeakPolarHBondContact SG-CD2 3.41Å; C174-F189 VanDerWaalsContact SG-CG 3.53Å; E175-F189 CarbonylContact O-C 3.51Å; E175-F189 WeakPolarHBondContact O-CA 3.1Å; E175-F189 WeakPolarHBondContact O-CB 3.33Å; I187-F189 WeakPolarHBondContact CG2-O 3.38Å
190I87.2Confident85Confident76 Ų7674.4 Ų74.439%0.3940%0.399SS..EExtended strand (participates in β ladder)trans-124.7143.6175-169.8165.6000110.1E175 L177E175-I190 HydrophobicContact CB-CG2 4.19Å; E175-I190 PolarHBondContact N-O 3.42Å; E175-I190 PolarHBondContact O-N 2.04Å; L177-I190 HydrophobicContact CD1-CB 3.91Å; L177-I190 HydrophobicContact CD1-CG2 4.15Å; L177-I190 HydrophobicContact CD2-CG2 3.99Å; L177-I190 HydrophobicContact CG-CB 4.22Å; L177-I190 HydrophobicContact CG-CG2 3.94Å
191C91.9Very high85.8Confident11 Ų1169.6 Ų69.67%0.07438%0.376CS..EExtended strand (participates in β ladder)trans-89.7121.3173.2-62.20000111C168 E173 C193 L200C168-C191 WeakPolarHBondContact CA-SG 3.29Å; C168-C191 HydrophobicContact CB-CB 3.76Å; C168-C191 WeakPolarHBondContact CB-SG 3.45Å; C168-C191 VanDerWaalsContact SG-CA 3.53Å; C168-C191 WeakPolarHBondContact SG-CB 3.47Å; C168-C191 CovalentContact SG-SG 2.04Å; C168-C191 PolarHBondContact SG-SG 2.97Å; E173-C191 CarbonylContact O-C 3.54Å; E173-C191 WeakPolarHBondContact O-CA 3.41Å; C191-C193 PolarHBondContact O-N 2.99Å; C191-L200 VanDerWaalsContact CB-O 3.32Å; C191-L200 WeakPolarHBondContact CB-O 3.06Å; C191-L200 PolarHBondContact SG-O 2.87Å
192K93.1Very high86.6Confident97 Ų9763.8 Ų63.842%0.42235%0.348SS..EExtended strand (participates in β ladder)trans-76.4105.5163.8-71-179.8179.2158.30108.9G172 E173 E175G172-K192 VanDerWaalsContact CA-O 3.31Å; G172-K192 WeakPolarHBondContact CA-O 3.08Å; E173-K192 HydrophobicContact CB-CB 4.31Å; E173-K192 PolarHBondContact N-O 3.2Å; E173-K192 PolarHBondContact O-N 3.13Å; E175-K192 IonicContact OE1-NZ 3.82Å; E175-K192 PolarHBondContact OE1-NZ 2.85Å; E175-K192 WeakPolarHBondContact OE2-CE 3.5Å; E175-K192 IonicContact OE2-NZ 3.76Å; E175-K192 PolarHBondContact OE2-NZ 3.47Å
193C95.3Very high87.5Confident40 Ų4065.2 Ų65.227%0.2736%0.357SS..  trans-79.5141.9-177.8-56.90000112.6C191 W197 C202C191-C193 PolarHBondContact O-N 2.99Å; C193-W197 HydrophobicContact CB-CB 4.3Å; C193-W197 WeakPolarHBondContact CB-O 3.41Å; C193-C202 WeakPolarHBondContact CA-SG 3.45Å; C193-C202 HydrophobicContact CB-CB 3.68Å; C193-C202 WeakPolarHBondContact CB-SG 3.33Å; C193-C202 WeakPolarHBondContact SG-CA 3.38Å; C193-C202 WeakPolarHBondContact SG-CB 3.41Å; C193-C202 CovalentContact SG-SG 2.04Å; C193-C202 PolarHBondContact SG-SG 2.92Å
194P95.5Very high88.6Confident22 Ų2265.3 Ų65.314%0.14334%0.342CS..  trans-61.1156.1167.8-513.4000110.2N170 A196 W197N170-P194 WeakPolarHBondContact O-CG 3.45Å; P194-A196 PolarHBondContact O-N 2.93Å; P194-W197 PolarHBondContact O-N 3.37Å
195P95.5Very high89.6Confident33 Ų3365.2 Ų65.221%0.21435%0.347CS..THydrogen-bonded Turntrans-60.4-25.1-165.7-26.735.4000115.9W197 R206 L228 K229 L230P195-W197 VanDerWaalsContact C-N 3.3Å; P195-R206 WeakPolarHBondContact O-CD 3.49Å; P195-R206 PolarHBondContact O-NH1 3.15Å; P195-L228 WeakPolarHBondContact CD-O 3.29Å; P195-K229 WeakPolarHBondContact CG-O 3.17Å; P195-L230 VanDerWaalsContact CB-O 3.23Å; P195-L230 WeakPolarHBondContact CB-O 3.19Å
196A96.5Very high90.8Very high3 Ų363.7 Ų63.73%0.02533%0.328CS..THydrogen-bonded Turntrans-84.32.8176.400000113.9P194 R206 R223 P225P194-A196 PolarHBondContact O-N 2.93Å; A196-R206 CarbonylContact C-O 3.47Å; A196-R206 PolarHBondContact O-N 3.19Å; A196-R223 PolarHBondContact O-NE 3.1Å; A196-R223 PolarHBondContact O-NH2 3.45Å; A196-P225 HydrophobicContact CB-CB 4.26Å; A196-P225 HydrophobicContact CB-CG 4.44Å
197W97.5Very high91.8Very high57 Ų5758.8 Ų58.822%0.21630%0.302CS..EExtended strand (participates in β ladder)trans-129.8154.8-175.4-58.399.7000111.5N170 C193 P194 P195 C202 K204N170-W197 HydrophobicContact CB-CD2 3.64Å; N170-W197 HydrophobicContact CB-CE3 4.25Å; N170-W197 HydrophobicContact CB-CG 3.76Å; N170-W197 HydrophobicContact CB-CZ2 4.08Å; N170-W197 VanDerWaalsContact CG-CD2 3.46Å; N170-W197 VanDerWaalsContact CG-CZ2 3.5Å; N170-W197 WeakPolarHBondContact ND2-CZ3 3Å; N170-W197 WeakPolarHBondContact OD1-CH2 3.21Å; N170-W197 VanDerWaalsContact OD1-CZ2 3.27Å; N170-W197 WeakPolarHBondContact OD1-CZ2 3.43Å; C193-W197 HydrophobicContact CB-CB 4.3Å; C193-W197 WeakPolarHBondContact CB-O 3.41Å; P194-W197 PolarHBondContact O-N 3.37Å; P195-W197 VanDerWaalsContact C-N 3.3Å; W197-C202 HydrophobicContact CB-CB 4.19Å; W197-K204 CarbonylContact C-O 3.37Å; W197-K204 WeakPolarHBondContact CA-O 3.2Å
198K95Very high92.8Very high98 Ų9856.7 Ų56.743%0.42629%0.292SS..EExtended strand (participates in β ladder)trans-151.6172.9176.665.2-178.4-179.3-179.40110.4C202 E203 K204 P205 R206K198-C202 CarbonylContact O-C 3.6Å; K198-C202 WeakPolarHBondContact O-CA 3.35Å; K198-E203 PolarHBondContact O-N 3.47Å; K198-K204 HydrophobicContact CG-CB 3.89Å; K198-K204 PolarHBondContact N-O 2.02Å; K198-K204 WeakPolarHBondContact O-CA 3.33Å; K198-K204 WeakPolarHBondContact O-CB 3.26Å; K198-K204 PolarHBondContact O-N 2.91Å; K198-K204 VanDerWaalsContact O-O 3.09Å; K198-P205 WeakPolarHBondContact CE-O 3.1Å; K198-R206 HydrophobicContact CB-CB 3.97Å; K198-R206 HydrophobicContact CB-CG 4.44Å; K198-R206 HydrophobicContact CD-CB 4.07Å; K198-R206 HydrophobicContact CD-CG 4.28Å; K198-R206 HydrophobicContact CG-CB 3.96Å
199G92.7Very high93.7Very high35 Ų3553.8 Ų53.836%0.36128%0.281SS..SBendtrans110.5174.2-175.100000111S201 E203G199-S201 VanDerWaalsContact C-N 3.3Å; G199-E203 WeakPolarHBondContact CA-OE1 3.04Å; G199-E203 WeakPolarHBondContact CA-OE2 3.16Å
200L89.8Confident94.3Very high129 Ų12957.8 Ų57.868%0.67530%0.304SS*.SBendtrans-68.8-34.4-178.6-68.7173000111.5C191 E203C191-L200 VanDerWaalsContact CB-O 3.32Å; C191-L200 WeakPolarHBondContact CB-O 3.06Å; C191-L200 PolarHBondContact SG-O 2.87Å; L200-E203 PolarHBondContact N-OE2 3.21Å
201S91.9Very high94.5Very high34 Ų3459.1 Ų59.124%0.23831%0.309CS..SBendtrans-113.215.5178.9-66.20000111.7V167 L169 G199 E203V167-S201 VanDerWaalsContact O-CB 3.3Å; V167-S201 WeakPolarHBondContact O-CB 3.31Å; V167-S201 PolarHBondContact O-OG 2.71Å; L169-S201 WeakPolarHBondContact CA-O 3.49Å; L169-S201 VanDerWaalsContact CB-O 3.24Å; L169-S201 WeakPolarHBondContact CB-O 3.47Å; L169-S201 PolarHBondContact N-O 3.36Å; G199-S201 VanDerWaalsContact C-N 3.3Å; S201-E203 VanDerWaalsContact C-N 3.25Å; S201-E203 PolarHBondContact N-OE2 3.26Å; S201-E203 PolarHBondContact O-N 2.88Å
202C95.4Very high94.3Very high0 Ų060.7 Ų60.70%032%0.322CS..SBendtrans63.328.2-175.4-46.20000114.4L169 N170 C193 W197 K198L169-C202 WeakPolarHBondContact O-CB 3.23Å; N170-C202 PolarHBondContact ND2-O 3.2Å; C193-C202 WeakPolarHBondContact CA-SG 3.45Å; C193-C202 HydrophobicContact CB-CB 3.68Å; C193-C202 WeakPolarHBondContact CB-SG 3.33Å; C193-C202 WeakPolarHBondContact SG-CA 3.38Å; C193-C202 WeakPolarHBondContact SG-CB 3.41Å; C193-C202 CovalentContact SG-SG 2.04Å; C193-C202 PolarHBondContact SG-SG 2.92Å; W197-C202 HydrophobicContact CB-CB 4.19Å; K198-C202 CarbonylContact O-C 3.6Å; K198-C202 WeakPolarHBondContact O-CA 3.35Å
203E94.8Very high94.1Very high75 Ų7564.7 Ų64.735%0.3534%0.343SS..  trans-79.7-24.5-173.274.3-68.3165.100114.1L169 K198 G199 L200 S201L169-E203 HydrophobicContact CD1-CB 3.83Å; K198-E203 PolarHBondContact O-N 3.47Å; G199-E203 WeakPolarHBondContact CA-OE1 3.04Å; G199-E203 WeakPolarHBondContact CA-OE2 3.16Å; L200-E203 PolarHBondContact N-OE2 3.21Å; S201-E203 VanDerWaalsContact C-N 3.25Å; S201-E203 PolarHBondContact N-OE2 3.26Å; S201-E203 PolarHBondContact O-N 2.88Å
204K95.9Very high93.7Very high120 Ų12073 Ų7352%0.52237%0.369SS..EExtended strand (participates in β ladder)trans-96.9142.6-175.8-63.2179.6-173174.30111.2W197 K198 R206W197-K204 CarbonylContact C-O 3.37Å; W197-K204 WeakPolarHBondContact CA-O 3.2Å; K198-K204 HydrophobicContact CG-CB 3.89Å; K198-K204 PolarHBondContact N-O 2.02Å; K198-K204 WeakPolarHBondContact O-CA 3.33Å; K198-K204 WeakPolarHBondContact O-CB 3.26Å; K198-K204 PolarHBondContact O-N 2.91Å; K198-K204 VanDerWaalsContact O-O 3.09Å; K204-R206 PolarHBondContact O-N 3.01Å
205P96.7Very high93.4Very high83 Ų8374.1 Ų74.154%0.53937%0.373SS..EExtended strand (participates in β ladder)trans-67.4133.1172.228-33.4000110.5K198K198-P205 WeakPolarHBondContact CE-O 3.1Å
206R96.5Very high93.1Very high72 Ų7272.8 Ų72.827%0.27236%0.364SS..  trans-106.4136.3168.6-175.4177170.6-111.71.7109P195 A196 K198 K204 P208 E211 R223P195-R206 WeakPolarHBondContact O-CD 3.49Å; P195-R206 PolarHBondContact O-NH1 3.15Å; A196-R206 CarbonylContact C-O 3.47Å; A196-R206 PolarHBondContact O-N 3.19Å; K198-R206 HydrophobicContact CB-CB 3.97Å; K198-R206 HydrophobicContact CB-CG 4.44Å; K198-R206 HydrophobicContact CD-CB 4.07Å; K198-R206 HydrophobicContact CD-CG 4.28Å; K198-R206 HydrophobicContact CG-CB 3.96Å; K204-R206 PolarHBondContact O-N 3.01Å; R206-P208 WeakPolarHBondContact O-CD 3.33Å; R206-E211 WeakPolarHBondContact CG-OE1 3.35Å; R206-E211 IonicContact CZ-OE2 3.27Å; R206-E211 IonicContact NE-OE1 3.42Å; R206-E211 PolarHBondContact NE-OE1 3.22Å; R206-E211 IonicContact NE-OE2 2.94Å; R206-E211 PolarHBondContact NE-OE2 3.41Å; R206-E211 IonicContact NH2-OE2 3.57Å; R206-E211 PolarHBondContact NH2-OE2 2.89Å; R206-R223 WeakPolarHBondContact O-CD 3.34Å; R206-R223 PolarHBondContact O-NE 3.13Å
207N95.7Very high92.5Very high48 Ų4875 Ų7526%0.25739%0.387SS..  trans-113.298.2174.5-172.7-8000109.4C209 L210 R223N207-C209 PolarHBondContact O-N 3Å; N207-C209 VanDerWaalsContact O-N 3.13Å; N207-C209 VanDerWaalsContact OD1-CB 3.24Å; N207-C209 WeakPolarHBondContact OD1-CB 2.94Å; N207-C209 PolarHBondContact OD1-N 2.82Å; N207-C209 VanDerWaalsContact OD1-N 3.1Å; N207-L210 HydrophobicContact CB-CD1 4.08Å; N207-L210 HydrophobicContact CB-CG 4.18Å; N207-L210 PolarHBondContact O-N 3.14Å; N207-L210 VanDerWaalsContact O-N 3.09Å; N207-R223 HydrophobicContact CB-CB 4.44Å
208P95.3Very high91.9Very high7 Ų779.8 Ų79.85%0.04541%0.412CS..Hα-helixtrans-53.9-31.3177.9-27.135.3000113.7R206 L210 E211 A212 L215 L230 Y232R206-P208 WeakPolarHBondContact O-CD 3.33Å; P208-L210 PolarHBondContact O-N 3.26Å; P208-E211 PolarHBondContact O-N 3.03Å; P208-E211 VanDerWaalsContact O-N 3.13Å; P208-A212 PolarHBondContact O-N 3.39Å; P208-A212 VanDerWaalsContact O-N 3.07Å; P208-L215 HydrophobicContact CB-CD1 4.22Å; P208-L230 WeakPolarHBondContact CG-O 3.23Å; P208-Y232 HydrophobicContact CB-CD1 3.72Å; P208-Y232 HydrophobicContact CB-CG 4.37Å; P208-Y232 HydrophobicContact CG-CD1 4.23Å
209C94.5Very high91.6Very high26 Ų2677.5 Ų77.518%0.17640%0.401CS..Hα-helixtrans-64.5-21.2-179.6-56.20000114.2N207 C221 Y222N207-C209 PolarHBondContact O-N 3Å; N207-C209 VanDerWaalsContact O-N 3.13Å; N207-C209 VanDerWaalsContact OD1-CB 3.24Å; N207-C209 WeakPolarHBondContact OD1-CB 2.94Å; N207-C209 PolarHBondContact OD1-N 2.82Å; N207-C209 VanDerWaalsContact OD1-N 3.1Å; C209-C221 HydrophobicContact CB-CB 3.64Å; C209-C221 WeakPolarHBondContact CB-SG 3.42Å; C209-C221 WeakPolarHBondContact SG-CB 3.49Å; C209-C221 PolarHBondContact SG-O 2.86Å; C209-C221 CovalentContact SG-SG 2.04Å; C209-C221 PolarHBondContact SG-SG 2.85Å; C209-Y222 VanDerWaalsContact SG-C 3.52Å; C209-Y222 PolarHBondContact SG-N 2.04Å; C209-Y222 VanDerWaalsContact SG-N 3.36Å
210L93.9Very high91.5Very high147 Ų14778.9 Ų78.977%0.7741%0.406SS*.Hα-helixtrans-93.1-17.7177.5-60.7178.9000112.6N207 P208N207-L210 HydrophobicContact CB-CD1 4.08Å; N207-L210 HydrophobicContact CB-CG 4.18Å; N207-L210 PolarHBondContact O-N 3.14Å; N207-L210 VanDerWaalsContact O-N 3.09Å; P208-L210 PolarHBondContact O-N 3.26Å
211E91.2Very high91.7Very high104 Ų10474.5 Ų74.549%0.48639%0.385SS..Hα-helixtrans-98.6-32.1-174.3-66.3-179.9-165.200112.3R206 P208R206-E211 WeakPolarHBondContact CG-OE1 3.35Å; R206-E211 IonicContact CZ-OE2 3.27Å; R206-E211 IonicContact NE-OE1 3.42Å; R206-E211 PolarHBondContact NE-OE1 3.22Å; R206-E211 IonicContact NE-OE2 2.94Å; R206-E211 PolarHBondContact NE-OE2 3.41Å; R206-E211 IonicContact NH2-OE2 3.57Å; R206-E211 PolarHBondContact NH2-OE2 2.89Å; P208-E211 PolarHBondContact O-N 3.03Å; P208-E211 VanDerWaalsContact O-N 3.13Å
212A88.7Confident91.8Very high44 Ų4478.4 Ų78.436%0.36440%0.395SS..SBendtrans-120.5130.6176.900000110.8P208 L215P208-A212 PolarHBondContact O-N 3.39Å; P208-A212 VanDerWaalsContact O-N 3.07Å; A212-L215 HydrophobicContact CB-CD1 4.05Å; A212-L215 HydrophobicContact CB-CD2 3.76Å; A212-L215 HydrophobicContact CB-CG 3.9Å
213Q87.6Confident91.8Very high181 Ų18181.9 Ų81.985%0.84641%0.409SS*.THydrogen-bonded Turntrans-81.6151.1-179.8-63.1179.7-0.800111.3L215Q213-L215 PolarHBondContact O-N 2.96Å
214R86.6Confident91.8Very high216 Ų21679 Ų7982%0.81540%0.395SS*.THydrogen-bonded Turntrans5725.3173.2-57.9-176.2179176-0.6115.9C216 G217R214-C216 PolarHBondContact O-N 3.43Å; R214-C216 VanDerWaalsContact O-N 3.14Å; R214-G217 PolarHBondContact O-N 2.86Å
215L88.6Confident91.7Very high45 Ų4575.6 Ų75.624%0.23639%0.386CS..THydrogen-bonded Turntrans-53.8-34.3175.4-69.2176.6000113.2P208 A212 Q213 Y232P208-L215 HydrophobicContact CB-CD1 4.22Å; A212-L215 HydrophobicContact CB-CD1 4.05Å; A212-L215 HydrophobicContact CB-CD2 3.76Å; A212-L215 HydrophobicContact CB-CG 3.9Å; Q213-L215 PolarHBondContact O-N 2.96Å; L215-Y232 HydrophobicContact CB-CD2 4.38Å; L215-Y232 HydrophobicContact CB-CE2 3.73Å; L215-Y232 HydrophobicContact CD1-CD1 3.91Å; L215-Y232 HydrophobicContact CD1-CD2 4.32Å; L215-Y232 HydrophobicContact CD1-CE1 3.74Å; L215-Y232 HydrophobicContact CD1-CE2 4.17Å; L215-Y232 HydrophobicContact CD1-CG 4.22Å; L215-Y232 HydrophobicContact CD2-CE1 4.19Å; L215-Y232 HydrophobicContact CG-CE1 4.38Å; L215-Y232 HydrophobicContact CG-CE2 4.44Å
216C89.4Confident91.5Very high4 Ų477.1 Ų77.13%0.02739%0.393CS..THydrogen-bonded Turntrans-106.418.9-180-65.10000113.3R214 Q218 Y219 C221 C234R214-C216 PolarHBondContact O-N 3.43Å; R214-C216 VanDerWaalsContact O-N 3.14Å; C216-Q218 PolarHBondContact O-N 2.76Å; C216-Q218 VanDerWaalsContact O-N 3.15Å; C216-Y219 VanDerWaalsContact CB-O 3.23Å; C216-Y219 WeakPolarHBondContact CB-O 2.98Å; C216-Y219 WeakPolarHBondContact O-CD2 3.12Å; C216-Y219 PolarHBondContact O-N 2.74Å; C216-C221 HydrophobicContact CB-CB 4.23Å; C216-C221 VanDerWaalsContact SG-CB 3.56Å; C216-C234 WeakPolarHBondContact CA-SG 3.05Å; C216-C234 HydrophobicContact CB-CB 3.6Å; C216-C234 WeakPolarHBondContact CB-SG 3.32Å; C216-C234 WeakPolarHBondContact SG-CA 3.5Å; C216-C234 WeakPolarHBondContact SG-CB 3.04Å; C216-C234 CovalentContact SG-SG 2.02Å; C216-C234 PolarHBondContact SG-SG 3.21Å
217G85.1Confident91.3Very high50 Ų5074.4 Ų74.452%0.51539%0.385SS..THydrogen-bonded Turntrans61-116-173.200000111.1R214R214-G217 PolarHBondContact O-N 2.86Å
218Q85.2Confident91.1Very high157 Ų15778.3 Ų78.373%0.73440%0.404SS*.THydrogen-bonded Turntrans-89-9.9177.468.3-174.81.500114.2C216C216-Q218 PolarHBondContact O-N 2.76Å; C216-Q218 VanDerWaalsContact O-N 3.15Å
219Y88.1Confident91Very high50 Ų5085.2 Ų85.220%0.19643%0.434CS..SBendtrans-92.1160.9-173.8-54.7-68000112.4C216 P237 Y240 C250C216-Y219 VanDerWaalsContact CB-O 3.23Å; C216-Y219 WeakPolarHBondContact CB-O 2.98Å; C216-Y219 WeakPolarHBondContact O-CD2 3.12Å; C216-Y219 PolarHBondContact O-N 2.74Å; Y219-P237 HydrophobicContact CD1-CG 3.95Å; Y219-P237 HydrophobicContact CE1-CG 3.66Å; Y219-Y240 WeakPolarHBondContact OH-CE1 3.44Å; Y219-C250 HydrophobicContact CD2-CB 3.57Å; Y219-C250 HydrophobicContact CE2-CB 3.53Å; Y219-C250 HydrophobicContact CG-CB 4.24Å
220S91.5Very high90.9Very high65 Ų6585.9 Ų85.946%0.45544%0.436SS..EExtended strand (participates in β ladder)trans-67.1132.1-179.4-63.50000111.4C234 D235S220-C234 WeakPolarHBondContact O-CA 3.31Å; S220-D235 PolarHBondContact O-N 3.24Å
221C93.2Very high90.9Very high36 Ų3678.9 Ų78.924%0.24340%0.399CS..EExtended strand (participates in β ladder)trans-100.8131.3175.8-175.60000109.9C209 C216C209-C221 HydrophobicContact CB-CB 3.64Å; C209-C221 WeakPolarHBondContact CB-SG 3.42Å; C209-C221 WeakPolarHBondContact SG-CB 3.49Å; C209-C221 PolarHBondContact SG-O 2.86Å; C209-C221 CovalentContact SG-SG 2.04Å; C209-C221 PolarHBondContact SG-SG 2.85Å; C216-C221 HydrophobicContact CB-CB 4.23Å; C216-C221 VanDerWaalsContact SG-CB 3.56Å
222Y94.6Very high91.1Very high116 Ų11675.1 Ų75.146%0.45538%0.38SS..EExtended strand (participates in β ladder)trans-124.4141.4175.9-66.5-84.2000111.5C209 D224 Y232 R233 D235C209-Y222 VanDerWaalsContact SG-C 3.52Å; C209-Y222 PolarHBondContact SG-N 2.04Å; C209-Y222 VanDerWaalsContact SG-N 3.36Å; Y222-D224 PolarHBondContact O-N 3.05Å; Y222-Y232 CarbonylContact O-C 3.48Å; Y222-Y232 WeakPolarHBondContact O-CA 3.29Å; Y222-Y232 WeakPolarHBondContact O-CB 3.42Å; Y222-R233 PolarHBondContact N-O 3.09Å; Y222-R233 PolarHBondContact O-N 3.22Å; Y222-D235 HydrophobicContact CD2-CB 3.59Å; Y222-D235 HydrophobicContact CE2-CB 3.35Å
223R94.8Very high91.3Very high74 Ų7479.2 Ų79.228%0.27939%0.387SS..EExtended strand (participates in β ladder)trans-60.4130170.6-177.9-179.2177-97.9-1.7109.3A196 R206 N207 P225A196-R223 PolarHBondContact O-NE 3.1Å; A196-R223 PolarHBondContact O-NH2 3.45Å; R206-R223 WeakPolarHBondContact O-CD 3.34Å; R206-R223 PolarHBondContact O-NE 3.13Å; N207-R223 HydrophobicContact CB-CB 4.44Å; R223-P225 VanDerWaalsContact NH1-CG 3.25Å
224D94.2Very high91.6Very high14 Ų1471.1 Ų71.18%0.07535%0.349CS..  trans-136.798.3179.1-166.8-13.8000110.6Y222 T226 N227 G231 R233Y222-D224 PolarHBondContact O-N 3.05Å; D224-T226 VanDerWaalsContact CG-OG1 3.27Å; D224-T226 PolarHBondContact O-N 2.99Å; D224-T226 WeakPolarHBondContact OD1-CB 3.27Å; D224-T226 PolarHBondContact OD1-N 2.77Å; D224-T226 PolarHBondContact OD1-OG1 3.41Å; D224-T226 PolarHBondContact OD2-OG1 3.14Å; D224-N227 HydrophobicContact CB-CB 4.32Å; D224-N227 PolarHBondContact O-N 3.17Å; D224-G231 PolarHBondContact N-O 3.35Å; D224-G231 CarbonylContact O-C 3.59Å; D224-G231 WeakPolarHBondContact O-CA 3.24Å; D224-R233 HydrophobicContact CB-CB 4.1Å; D224-R233 HydrophobicContact CB-CG 3.97Å; D224-R233 IonicContact OD1-NH1 3.68Å; D224-R233 VanDerWaalsContact OD2-CD 3.26Å; D224-R233 WeakPolarHBondContact OD2-CD 3.25Å; D224-R233 IonicContact OD2-CZ 2.71Å; D224-R233 IonicContact OD2-NE 2.81Å; D224-R233 IonicContact OD2-NH1 3.31Å; D224-R233 PolarHBondContact OD2-NH1 2.73Å
225P95.1Very high91.7Very high49 Ų4964.7 Ų64.732%0.31833%0.332SS..THydrogen-bonded Turntrans-64-19.9176.1-22.435.8000114.2A196 R223 N227A196-P225 HydrophobicContact CB-CB 4.26Å; A196-P225 HydrophobicContact CB-CG 4.44Å; R223-P225 VanDerWaalsContact NH1-CG 3.25Å; P225-N227 VanDerWaalsContact C-N 3.31Å
226T92.2Very high91.7Very high114 Ų11463.9 Ų63.970%0.69933%0.329SS*.THydrogen-bonded Turntrans-75.7-24.4178.272.40000111.7D224 L228D224-T226 VanDerWaalsContact CG-OG1 3.27Å; D224-T226 PolarHBondContact O-N 2.99Å; D224-T226 WeakPolarHBondContact OD1-CB 3.27Å; D224-T226 PolarHBondContact OD1-N 2.77Å; D224-T226 PolarHBondContact OD1-OG1 3.41Å; D224-T226 PolarHBondContact OD2-OG1 3.14Å; T226-L228 VanDerWaalsContact C-N 3.35Å; T226-L228 PolarHBondContact O-N 3.37Å
227N92Very high91.5Very high16 Ų1665.9 Ų65.99%0.08634%0.342CS..  trans-78.484.5171.4-169.6-21.8000110.1D224 P225 K229 L230 G231 Y232 T245D224-N227 HydrophobicContact CB-CB 4.32Å; D224-N227 PolarHBondContact O-N 3.17Å; P225-N227 VanDerWaalsContact C-N 3.31Å; N227-K229 PolarHBondContact O-N 3.01Å; N227-K229 PolarHBondContact OD1-N 2.95Å; N227-L230 PolarHBondContact O-N 2.84Å; N227-L230 PolarHBondContact OD1-N 3.3Å; N227-L230 VanDerWaalsContact OD1-N 3.14Å; N227-G231 VanDerWaalsContact O-CA 3.32Å; N227-G231 WeakPolarHBondContact O-CA 3.33Å; N227-G231 PolarHBondContact O-N 3.27Å; N227-Y232 PolarHBondContact ND2-O 2.86Å; N227-T245 PolarHBondContact ND2-O 3.07Å
228L91.9Very high91.4Very high129 Ų12971.7 Ų71.768%0.67535%0.353SS*.THydrogen-bonded Turntrans-58.8-21.7-177.9-61.1178.6000113.9P195 T226P195-L228 WeakPolarHBondContact CD-O 3.29Å; T226-L228 VanDerWaalsContact C-N 3.35Å; T226-L228 PolarHBondContact O-N 3.37Å
229K92.3Very high91.2Very high153 Ų15364.9 Ų64.967%0.66533%0.325SS*.THydrogen-bonded Turntrans-89.9-33.8-176-169.559.5175.3-178.40113.8P195 N227 T246P195-K229 WeakPolarHBondContact CG-O 3.17Å; N227-K229 PolarHBondContact O-N 3.01Å; N227-K229 PolarHBondContact OD1-N 2.95Å; K229-T246 HydrophobicContact CG-CG2 4.23Å
230L93.1Very high91.2Very high40 Ų4063.8 Ų63.821%0.20932%0.321CS..THydrogen-bonded Turntrans-120-28.5-174.8-65-179.4000113.7P195 P208 N227 Y232 T245 P248P195-L230 VanDerWaalsContact CB-O 3.23Å; P195-L230 WeakPolarHBondContact CB-O 3.19Å; P208-L230 WeakPolarHBondContact CG-O 3.23Å; N227-L230 PolarHBondContact O-N 2.84Å; N227-L230 PolarHBondContact OD1-N 3.3Å; N227-L230 VanDerWaalsContact OD1-N 3.14Å; L230-Y232 HydrophobicContact CB-CD1 3.78Å; L230-Y232 HydrophobicContact CB-CE1 3.61Å; L230-Y232 HydrophobicContact CD1-CE1 4.16Å; L230-Y232 HydrophobicContact CD2-CE1 4.27Å; L230-Y232 HydrophobicContact CG-CE1 4.24Å; L230-Y232 VanDerWaalsContact O-CD1 3.28Å; L230-Y232 WeakPolarHBondContact O-CD1 3.44Å; L230-Y232 PolarHBondContact O-N 2.81Å; L230-T245 WeakPolarHBondContact CD1-O 3.3Å; L230-P248 HydrophobicContact CD1-CG 3.78Å
231G93.7Very high91Very high0 Ų064.8 Ų64.80%032%0.317CS..SBendtrans74.28.9-177.300000114.7D224 N227D224-G231 PolarHBondContact N-O 3.35Å; D224-G231 CarbonylContact O-C 3.59Å; D224-G231 WeakPolarHBondContact O-CA 3.24Å; N227-G231 VanDerWaalsContact O-CA 3.32Å; N227-G231 WeakPolarHBondContact O-CA 3.33Å; N227-G231 PolarHBondContact O-N 3.27Å
232Y94.5Very high90.7Very high24 Ų2465.2 Ų65.29%0.09432%0.323CS..EExtended strand (participates in β ladder)trans-145164.117772.2-89.1000110.9P208 L215 Y222 N227 L230 P248P208-Y232 HydrophobicContact CB-CD1 3.72Å; P208-Y232 HydrophobicContact CB-CG 4.37Å; P208-Y232 HydrophobicContact CG-CD1 4.23Å; L215-Y232 HydrophobicContact CB-CD2 4.38Å; L215-Y232 HydrophobicContact CB-CE2 3.73Å; L215-Y232 HydrophobicContact CD1-CD1 3.91Å; L215-Y232 HydrophobicContact CD1-CD2 4.32Å; L215-Y232 HydrophobicContact CD1-CE1 3.74Å; L215-Y232 HydrophobicContact CD1-CE2 4.17Å; L215-Y232 HydrophobicContact CD1-CG 4.22Å; L215-Y232 HydrophobicContact CD2-CE1 4.19Å; L215-Y232 HydrophobicContact CG-CE1 4.38Å; L215-Y232 HydrophobicContact CG-CE2 4.44Å; Y222-Y232 CarbonylContact O-C 3.48Å; Y222-Y232 WeakPolarHBondContact O-CA 3.29Å; Y222-Y232 WeakPolarHBondContact O-CB 3.42Å; N227-Y232 PolarHBondContact ND2-O 2.86Å; L230-Y232 HydrophobicContact CB-CD1 3.78Å; L230-Y232 HydrophobicContact CB-CE1 3.61Å; L230-Y232 HydrophobicContact CD1-CE1 4.16Å; L230-Y232 HydrophobicContact CD2-CE1 4.27Å; L230-Y232 HydrophobicContact CG-CE1 4.24Å; L230-Y232 VanDerWaalsContact O-CD1 3.28Å; L230-Y232 WeakPolarHBondContact O-CD1 3.44Å; L230-Y232 PolarHBondContact O-N 2.81Å; Y232-P248 HydrophobicContact CD2-CG 4.28Å; Y232-P248 HydrophobicContact CE2-CG 3.54Å
233R93.7Very high90.3Very high131 Ų13163.5 Ų63.549%0.49432%0.321SS..EExtended strand (participates in β ladder)trans-134.8156.1167.968.8175.2171.5-125.38.2110Y222 D224Y222-R233 PolarHBondContact N-O 3.09Å; Y222-R233 PolarHBondContact O-N 3.22Å; D224-R233 HydrophobicContact CB-CB 4.1Å; D224-R233 HydrophobicContact CB-CG 3.97Å; D224-R233 IonicContact OD1-NH1 3.68Å; D224-R233 VanDerWaalsContact OD2-CD 3.26Å; D224-R233 WeakPolarHBondContact OD2-CD 3.25Å; D224-R233 IonicContact OD2-CZ 2.71Å; D224-R233 IonicContact OD2-NE 2.81Å; D224-R233 IonicContact OD2-NH1 3.31Å; D224-R233 PolarHBondContact OD2-NH1 2.73Å
234C93Very high89.9Confident10 Ų1061.9 Ų61.97%0.06832%0.321CS..EExtended strand (participates in β ladder)trans-94.1134.3170.5-53.70000109C216 S220 C236 P248C216-C234 WeakPolarHBondContact CA-SG 3.05Å; C216-C234 HydrophobicContact CB-CB 3.6Å; C216-C234 WeakPolarHBondContact CB-SG 3.32Å; C216-C234 WeakPolarHBondContact SG-CA 3.5Å; C216-C234 WeakPolarHBondContact SG-CB 3.04Å; C216-C234 CovalentContact SG-SG 2.02Å; C216-C234 PolarHBondContact SG-SG 3.21Å; S220-C234 WeakPolarHBondContact O-CA 3.31Å; C234-C236 PolarHBondContact O-N 3.19Å; C234-P248 HydrophobicContact CB-CB 4.26Å; C234-P248 WeakPolarHBondContact CB-O 3.24Å; C234-P248 PolarHBondContact SG-O 2.81Å
235D90.6Very high89.4Confident82 Ų8266.3 Ų66.344%0.43935%0.348SS..EExtended strand (participates in β ladder)trans-83.4106.9172.2-176.432.8000108.4S220 Y222S220-D235 PolarHBondContact O-N 3.24Å; Y222-D235 HydrophobicContact CD2-CB 3.59Å; Y222-D235 HydrophobicContact CE2-CB 3.35Å
236C88.3Confident88.9Confident28 Ų2868.2 Ų68.219%0.18936%0.36CS..PPolyproline II helixtrans-86129.4179.8-58.60000109.1C234 C250C234-C236 PolarHBondContact O-N 3.19Å; C236-C250 WeakPolarHBondContact CA-SG 3.19Å; C236-C250 HydrophobicContact CB-CB 3.78Å; C236-C250 WeakPolarHBondContact CB-SG 3.23Å; C236-C250 VanDerWaalsContact SG-CA 3.6Å; C236-C250 WeakPolarHBondContact SG-CB 3.28Å; C236-C250 CovalentContact SG-SG 2.04Å; C236-C250 PolarHBondContact SG-SG 2.04Å
237P85.5Confident88.7Confident46 Ų4665.6 Ų65.630%0.29934%0.341SS..PPolyproline II helixtrans-62.7165.2174.724.2-29.1000110.8Y219 G239 Y240Y219-P237 HydrophobicContact CD1-CG 3.95Å; Y219-P237 HydrophobicContact CE1-CG 3.66Å; P237-G239 PolarHBondContact O-N 2.95Å; P237-Y240 HydrophobicContact CB-CD2 4.43Å; P237-Y240 HydrophobicContact CG-CD2 3.61Å; P237-Y240 HydrophobicContact CG-CE2 4.06Å; P237-Y240 HydrophobicContact CG-CG 4.16Å; P237-Y240 WeakPolarHBondContact O-CB 3.44Å; P237-Y240 PolarHBondContact O-N 3.19Å
238K83.1Confident88.1Confident172 Ų17265.2 Ų65.275%0.74834%0.339SS*.THydrogen-bonded Turntrans-53.6137.4174.9-67.6-175.7-179.9178.70110.4Y240 V287K238-Y240 VanDerWaalsContact C-N 3.3Å; K238-V287 HydrophobicContact CB-CB 4.3Å; K238-V287 HydrophobicContact CB-CG1 4.04Å
239G80.5Confident87.8Confident13 Ų1363.9 Ų63.913%0.13433%0.33CS..THydrogen-bonded Turntrans83.9-1.3-174.100000114.2P237 N252 I253P237-G239 PolarHBondContact O-N 2.95Å; G239-N252 PolarHBondContact O-OD1 3.45Å; G239-N252 VanDerWaalsContact O-OD1 3.06Å; G239-I253 VanDerWaalsContact O-CB 3.29Å; G239-I253 WeakPolarHBondContact O-CB 3.43Å; G239-I253 WeakPolarHBondContact O-CG1 3.44Å; G239-I253 PolarHBondContact O-N 3.12Å
240Y87.2Confident87.6Confident28 Ų2857.3 Ų57.311%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-119.4149.7172.7-66.2-103.9000111.4Y219 P237 K238 C250 I251 N252 E275 P276Y219-Y240 WeakPolarHBondContact OH-CE1 3.44Å; P237-Y240 HydrophobicContact CB-CD2 4.43Å; P237-Y240 HydrophobicContact CG-CD2 3.61Å; P237-Y240 HydrophobicContact CG-CE2 4.06Å; P237-Y240 HydrophobicContact CG-CG 4.16Å; P237-Y240 WeakPolarHBondContact O-CB 3.44Å; P237-Y240 PolarHBondContact O-N 3.19Å; K238-Y240 VanDerWaalsContact C-N 3.3Å; Y240-C250 HydrophobicContact CD1-CB 4.48Å; Y240-I251 CarbonylContact C-O 3.58Å; Y240-I251 WeakPolarHBondContact CA-O 3.45Å; Y240-I251 WeakPolarHBondContact CB-O 3.44Å; Y240-I251 VanDerWaalsContact CD1-C 3.44Å; Y240-N252 HydrophobicContact CE1-CB 4.34Å; Y240-E275 WeakPolarHBondContact OH-CG 3.39Å; Y240-E275 PolarHBondContact OH-OE1 3.34Å; Y240-P276 HydrophobicContact CD2-CB 4.42Å; Y240-P276 HydrophobicContact CD2-CG 3.9Å; Y240-P276 HydrophobicContact CE2-CB 3.85Å; Y240-P276 HydrophobicContact CE2-CG 3.54Å
241K87.2Confident87.3Confident85 Ų8558.9 Ų58.937%0.3731%0.311SS..EExtended strand (participates in β ladder)trans-130.5152.1172.466.6-177.4174.9-164.20111.9C250 I251 I253 E258K241-C250 CarbonylContact O-C 3.51Å; K241-C250 WeakPolarHBondContact O-CA 3.27Å; K241-I251 HydrophobicContact CG-CD1 4.49Å; K241-I251 HydrophobicContact CG-CG1 4.1Å; K241-I251 PolarHBondContact N-O 2.04Å; K241-I251 WeakPolarHBondContact O-CG1 3.48Å; K241-I251 PolarHBondContact O-N 2.7Å; K241-I253 HydrophobicContact CB-CD1 4.13Å; K241-I253 HydrophobicContact CB-CG1 3.92Å; K241-I253 HydrophobicContact CD-CG1 4.04Å; K241-I253 HydrophobicContact CG-CG1 3.84Å; K241-E258 IonicContact NZ-OE1 3.7Å; K241-E258 PolarHBondContact NZ-OE1 3.49Å; K241-E258 IonicContact NZ-OE2 3.41Å; K241-E258 PolarHBondContact NZ-OE2 3.08Å
242A88Confident87Confident45 Ų4560.9 Ų60.937%0.37232%0.322SS..EExtended strand (participates in β ladder)trans-67.8138.1171.500000110.2S244 Q249A242-S244 VanDerWaalsContact C-N 3.33Å; A242-S244 PolarHBondContact O-N 2.74Å; A242-Q249 WeakPolarHBondContact CA-O 2.98Å
243I85.4Confident86.7Confident80 Ų8061.2 Ų61.241%0.4133%0.325SS..SBendtrans-59.4-46.3175.9-64.2168.9000110.4N247 Q249 I251I243-N247 WeakPolarHBondContact CB-O 3.39Å; I243-Q249 HydrophobicContact CD1-CB 3.92Å; I243-Q249 WeakPolarHBondContact CG1-O 3.17Å; I243-Q249 PolarHBondContact N-O 2.87Å; I243-I251 HydrophobicContact CD1-CG2 3.7Å; I243-I251 HydrophobicContact CG1-CB 4.4Å; I243-I251 HydrophobicContact CG1-CD1 4.11Å; I243-I251 HydrophobicContact CG1-CG1 4.03Å; I243-I251 HydrophobicContact CG1-CG2 3.52Å
244S85.9Confident86.4Confident41 Ų4157.5 Ų57.529%0.28732%0.315SS..  trans-164.3175.717472.60000111.9A242 T246 N247 P248A242-S244 VanDerWaalsContact C-N 3.33Å; A242-S244 PolarHBondContact O-N 2.74Å; S244-T246 PolarHBondContact O-N 3.13Å; S244-T246 PolarHBondContact OG-N 2.96Å; S244-T246 PolarHBondContact OG-OG1 3.06Å; S244-N247 PolarHBondContact N-O 3.42Å; S244-N247 CarbonylContact O-C 3.48Å; S244-N247 PolarHBondContact O-N 3.01Å; S244-N247 PolarHBondContact OG-N 3.03Å; S244-P248 WeakPolarHBondContact O-CA 3.36Å
245T83.5Confident86.1Confident106 Ų10657.3 Ų57.365%0.6531%0.313SS*.SBendtrans-65.8-26.8170.952.80000112.8N227 L230N227-T245 PolarHBondContact ND2-O 3.07Å; L230-T245 WeakPolarHBondContact CD1-O 3.3Å
246T85.9Confident85.9Confident90 Ų9055.2 Ų55.255%0.55230%0.304SS*.SBendtrans-91-17.217855.10000113.3K229 S244K229-T246 HydrophobicContact CG-CG2 4.23Å; S244-T246 PolarHBondContact O-N 3.13Å; S244-T246 PolarHBondContact OG-N 2.96Å; S244-T246 PolarHBondContact OG-OG1 3.06Å
247N86.5Confident85.8Confident59 Ų5959.9 Ų59.932%0.31633%0.326SS..SBendtrans-135.385.1172-175.86000109I243 S244 Q249I243-N247 WeakPolarHBondContact CB-O 3.39Å; S244-N247 PolarHBondContact N-O 3.42Å; S244-N247 CarbonylContact O-C 3.48Å; S244-N247 PolarHBondContact O-N 3.01Å; S244-N247 PolarHBondContact OG-N 3.03Å; N247-Q249 PolarHBondContact O-N 3.32Å; N247-Q249 VanDerWaalsContact OD1-CG 3.29Å; N247-Q249 WeakPolarHBondContact OD1-CG 2.99Å
248P81Confident85.5Confident7 Ų762.4 Ų62.45%0.04533%0.333CS..  trans-7816.6-173.132.1-36.1000113.3L230 Y232 C234 S244 C250L230-P248 HydrophobicContact CD1-CG 3.78Å; Y232-P248 HydrophobicContact CD2-CG 4.28Å; Y232-P248 HydrophobicContact CE2-CG 3.54Å; C234-P248 HydrophobicContact CB-CB 4.26Å; C234-P248 WeakPolarHBondContact CB-O 3.24Å; C234-P248 PolarHBondContact SG-O 2.81Å; S244-P248 WeakPolarHBondContact O-CA 3.36Å; P248-C250 PolarHBondContact O-N 3.49Å
249Q85.2Confident85.2Confident102 Ų10260.3 Ų60.348%0.47732%0.322SS..  trans-59.3134.8174.3-73.3-178-31.700110.8A242 I243 N247A242-Q249 WeakPolarHBondContact CA-O 2.98Å; I243-Q249 HydrophobicContact CD1-CB 3.92Å; I243-Q249 WeakPolarHBondContact CG1-O 3.17Å; I243-Q249 PolarHBondContact N-O 2.87Å; N247-Q249 PolarHBondContact O-N 3.32Å; N247-Q249 VanDerWaalsContact OD1-CG 3.29Å; N247-Q249 WeakPolarHBondContact OD1-CG 2.99Å
250C88Confident84.3Confident15 Ų1566.3 Ų66.310%0.10135%0.349CS..EExtended strand (participates in β ladder)trans-84.4124.6179.6-57.40000110.5Y219 C236 Y240 K241 P248Y219-C250 HydrophobicContact CD2-CB 3.57Å; Y219-C250 HydrophobicContact CE2-CB 3.53Å; Y219-C250 HydrophobicContact CG-CB 4.24Å; C236-C250 WeakPolarHBondContact CA-SG 3.19Å; C236-C250 HydrophobicContact CB-CB 3.78Å; C236-C250 WeakPolarHBondContact CB-SG 3.23Å; C236-C250 VanDerWaalsContact SG-CA 3.6Å; C236-C250 WeakPolarHBondContact SG-CB 3.28Å; C236-C250 CovalentContact SG-SG 2.04Å; C236-C250 PolarHBondContact SG-SG 2.04Å; Y240-C250 HydrophobicContact CD1-CB 4.48Å; K241-C250 CarbonylContact O-C 3.51Å; K241-C250 WeakPolarHBondContact O-CA 3.27Å; P248-C250 PolarHBondContact O-N 3.49Å
251I87.8Confident82.7Confident72 Ų7270.6 Ų70.637%0.36937%0.374SS..EExtended strand (participates in β ladder)trans-113.9151.8174.855.7163.3000110.2Y240 K241 I243 I253Y240-I251 CarbonylContact C-O 3.58Å; Y240-I251 WeakPolarHBondContact CA-O 3.45Å; Y240-I251 WeakPolarHBondContact CB-O 3.44Å; Y240-I251 VanDerWaalsContact CD1-C 3.44Å; K241-I251 HydrophobicContact CG-CD1 4.49Å; K241-I251 HydrophobicContact CG-CG1 4.1Å; K241-I251 PolarHBondContact N-O 2.04Å; K241-I251 WeakPolarHBondContact O-CG1 3.48Å; K241-I251 PolarHBondContact O-N 2.7Å; I243-I251 HydrophobicContact CD1-CG2 3.7Å; I243-I251 HydrophobicContact CG1-CB 4.4Å; I243-I251 HydrophobicContact CG1-CD1 4.11Å; I243-I251 HydrophobicContact CG1-CG1 4.03Å; I243-I251 HydrophobicContact CG1-CG2 3.52Å; I251-I253 PolarHBondContact O-N 2.9Å
252N87Confident81.5Confident43 Ų4374.2 Ų74.223%0.2340%0.398CS..EExtended strand (participates in β ladder)trans-59.7133.1174-170.219.3000110G239 Y240 K274 P276G239-N252 PolarHBondContact O-OD1 3.45Å; G239-N252 VanDerWaalsContact O-OD1 3.06Å; Y240-N252 HydrophobicContact CE1-CB 4.34Å; N252-K274 PolarHBondContact ND2-O 3.12Å; N252-P276 WeakPolarHBondContact OD1-CD 3.2Å
253I87.6Confident80.8Confident31 Ų3178 Ų7816%0.15941%0.408CS..  trans-75.4124.8169.9-67172.9000106.4G239 K241 I251 E255 E258G239-I253 VanDerWaalsContact O-CB 3.29Å; G239-I253 WeakPolarHBondContact O-CB 3.43Å; G239-I253 WeakPolarHBondContact O-CG1 3.44Å; G239-I253 PolarHBondContact O-N 3.12Å; K241-I253 HydrophobicContact CB-CD1 4.13Å; K241-I253 HydrophobicContact CB-CG1 3.92Å; K241-I253 HydrophobicContact CD-CG1 4.04Å; K241-I253 HydrophobicContact CG-CG1 3.84Å; I251-I253 PolarHBondContact O-N 2.9Å; I253-E255 HydrophobicContact CG2-CG 3.98Å; I253-E255 PolarHBondContact O-N 2.74Å; I253-E255 VanDerWaalsContact O-N 3.09Å; I253-E258 HydrophobicContact CG2-CB 4.48Å; I253-E258 WeakPolarHBondContact CG2-OE2 3.31Å
254N87.9Confident80.9Confident53 Ų5374.9 Ų74.928%0.28339%0.392SS..  trans-80.590.4168-173.4-38000108.9C256 I257 E258 D273N254-C256 PolarHBondContact O-N 3.14Å; N254-C256 WeakPolarHBondContact OD1-CB 3.13Å; N254-C256 PolarHBondContact OD1-N 2.86Å; N254-C256 VanDerWaalsContact OD1-N 3.13Å; N254-I257 HydrophobicContact CB-CD1 4.44Å; N254-I257 WeakPolarHBondContact ND2-CD1 3.5Å; N254-I257 PolarHBondContact O-N 2.93Å; N254-I257 PolarHBondContact OD1-N 3.21Å; N254-E258 WeakPolarHBondContact O-CB 3.22Å; N254-E258 PolarHBondContact O-N 3.23Å; N254-D273 WeakPolarHBondContact CA-OD1 3.46Å
255E85.8Confident81Confident5 Ų573.4 Ų73.42%0.02338%0.381CS..Hα-helixtrans-62.1-31.6-178.5-65.294.3161.500111.6I253 I257 E258 Y259 I264 G290 F291I253-E255 HydrophobicContact CG2-CG 3.98Å; I253-E255 PolarHBondContact O-N 2.74Å; I253-E255 VanDerWaalsContact O-N 3.09Å; E255-I257 PolarHBondContact O-N 3.28Å; E255-I257 VanDerWaalsContact O-N 3.11Å; E255-E258 PolarHBondContact O-N 2.89Å; E255-Y259 HydrophobicContact CB-CD2 3.96Å; E255-Y259 HydrophobicContact CB-CE2 3.87Å; E255-Y259 HydrophobicContact CG-CD2 4.45Å; E255-Y259 HydrophobicContact CG-CE2 3.87Å; E255-Y259 VanDerWaalsContact O-CD2 3.31Å; E255-Y259 WeakPolarHBondContact O-CD2 3.39Å; E255-Y259 PolarHBondContact O-N 3.15Å; E255-I264 HydrophobicContact CB-CD1 4Å; E255-I264 WeakPolarHBondContact O-CD1 3.32Å; E255-G290 WeakPolarHBondContact OE1-CA 3.35Å; E255-G290 PolarHBondContact OE1-N 2.82Å; E255-G290 WeakPolarHBondContact OE2-CA 3.05Å; E255-G290 VanDerWaalsContact OE2-O 3.04Å; E255-F291 HydrophobicContact CB-CD1 4Å; E255-F291 HydrophobicContact CG-CD1 4.31Å
256C87.1Confident81.3Confident38 Ų3871.4 Ų71.426%0.25737%0.366SS..Hα-helixtrans-62.8-20.7-179.9-58.80000114.2N254 C271 I272 D273N254-C256 PolarHBondContact O-N 3.14Å; N254-C256 WeakPolarHBondContact OD1-CB 3.13Å; N254-C256 PolarHBondContact OD1-N 2.86Å; N254-C256 VanDerWaalsContact OD1-N 3.13Å; C256-C271 WeakPolarHBondContact CA-SG 3.43Å; C256-C271 HydrophobicContact CB-CB 3.75Å; C256-C271 WeakPolarHBondContact CB-SG 3.43Å; C256-C271 WeakPolarHBondContact SG-CB 2.83Å; C256-C271 CovalentContact SG-SG 2.04Å; C256-C271 PolarHBondContact SG-SG 3.08Å; C256-I272 PolarHBondContact SG-N 3.44Å; C256-D273 PolarHBondContact SG-N 3.33Å; C256-D273 VanDerWaalsContact SG-N 3.38Å
257I84.9Confident81.4Confident126 Ų12670.9 Ų70.965%0.64636%0.36SS*.Hα-helixtrans-103.6-37.6176.3-59.1171.9000111.2N254 E255 Y259N254-I257 HydrophobicContact CB-CD1 4.44Å; N254-I257 WeakPolarHBondContact ND2-CD1 3.5Å; N254-I257 PolarHBondContact O-N 2.93Å; N254-I257 PolarHBondContact OD1-N 3.21Å; E255-I257 PolarHBondContact O-N 3.28Å; E255-I257 VanDerWaalsContact O-N 3.11Å; I257-Y259 VanDerWaalsContact C-N 3.33Å; I257-Y259 PolarHBondContact O-N 3.26Å
258E80.9Confident81.4Confident99 Ų9971 Ų7146%0.46337%0.374SS..Hα-helixtrans-69.5-31.6-172-164145177.700112.5K241 I253 N254 E255 I260K241-E258 IonicContact NZ-OE1 3.7Å; K241-E258 PolarHBondContact NZ-OE1 3.49Å; K241-E258 IonicContact NZ-OE2 3.41Å; K241-E258 PolarHBondContact NZ-OE2 3.08Å; I253-E258 HydrophobicContact CG2-CB 4.48Å; I253-E258 WeakPolarHBondContact CG2-OE2 3.31Å; N254-E258 WeakPolarHBondContact O-CB 3.22Å; N254-E258 PolarHBondContact O-N 3.23Å; E255-E258 PolarHBondContact O-N 2.89Å; E258-I260 PolarHBondContact O-N 3.41Å
259Y75.1Confident81.8Confident128 Ų12871.3 Ų71.350%0.50238%0.38SS..SBendtrans-88.396.2171.3-63.1-97.1000109.1E255 I257 N261 I264E255-Y259 HydrophobicContact CB-CD2 3.96Å; E255-Y259 HydrophobicContact CB-CE2 3.87Å; E255-Y259 HydrophobicContact CG-CD2 4.45Å; E255-Y259 HydrophobicContact CG-CE2 3.87Å; E255-Y259 VanDerWaalsContact O-CD2 3.31Å; E255-Y259 WeakPolarHBondContact O-CD2 3.39Å; E255-Y259 PolarHBondContact O-N 3.15Å; I257-Y259 VanDerWaalsContact C-N 3.33Å; I257-Y259 PolarHBondContact O-N 3.26Å; Y259-N261 PolarHBondContact O-N 3.35Å; Y259-I264 HydrophobicContact CD2-CD1 3.55Å; Y259-I264 HydrophobicContact CD2-CG1 4.25Å; Y259-I264 HydrophobicContact CE2-CD1 4.4Å; Y259-I264 HydrophobicContact CG-CD1 3.75Å; Y259-I264 HydrophobicContact CG-CG1 4Å
260I62.6Low82Confident139 Ų13971.5 Ų71.571%0.71338%0.383SS*.  trans-63.2128.8174.9-60.1166.6000108.4E258E258-I260 PolarHBondContact O-N 3.41Å
261N53.8Low82.1Confident118 Ų11872.6 Ų72.663%0.63139%0.39SS*.SBendtrans89.6147.8-178.4-49.7-38000114.3Y259 E263Y259-N261 PolarHBondContact O-N 3.35Å; N261-E263 HydrophobicContact CB-CG 4.42Å; N261-E263 PolarHBondContact O-N 3.22Å
262D60.8Low82.2Confident161 Ų16172.5 Ų72.586%0.86139%0.39SS*.THydrogen-bonded Turntrans-56.128.4-177.3-62.9-53.8000116.1
263E74.2Confident82.3Confident125 Ų12573.2 Ų73.258%0.58439%0.393SS*.THydrogen-bonded Turntrans-84.1-33.3-174.3-66.5-173-177.300112.6N261 L266 R303N261-E263 HydrophobicContact CB-CG 4.42Å; N261-E263 PolarHBondContact O-N 3.22Å; E263-L266 VanDerWaalsContact O-CD2 3.31Å; E263-L266 WeakPolarHBondContact O-CD2 3.14Å; E263-R303 PolarHBondContact O-NH2 3.05Å
264I86.9Confident82.2Confident15 Ų1575.5 Ų75.58%0.07740%0.402CS..SBendtrans-59.7-58.2-178.2-72178.9000110.4E255 Y259 F291 R303E255-I264 HydrophobicContact CB-CD1 4Å; E255-I264 WeakPolarHBondContact O-CD1 3.32Å; Y259-I264 HydrophobicContact CD2-CD1 3.55Å; Y259-I264 HydrophobicContact CD2-CG1 4.25Å; Y259-I264 HydrophobicContact CE2-CD1 4.4Å; Y259-I264 HydrophobicContact CG-CD1 3.75Å; Y259-I264 HydrophobicContact CG-CG1 4Å; I264-F291 HydrophobicContact CG2-CD1 4.27Å; I264-F291 HydrophobicContact CG2-CD2 3.51Å; I264-F291 HydrophobicContact CG2-CE1 4.06Å; I264-F291 HydrophobicContact CG2-CE2 3.29Å; I264-F291 HydrophobicContact CG2-CG 4.03Å; I264-F291 HydrophobicContact CG2-CZ 3.6Å; I264-R303 VanDerWaalsContact O-CB 3.26Å; I264-R303 WeakPolarHBondContact O-CB 3.47Å; I264-R303 VanDerWaalsContact O-CG 3.25Å; I264-R303 WeakPolarHBondContact O-CG 3.4Å; I264-R303 PolarHBondContact O-NE 3.17Å
265C88.9Confident81.9Confident9 Ų979 Ų796%0.06142%0.417CS..SBendtrans-102.6103.8-179.2-60.80000110.1G269 C271 C293C265-G269 VanDerWaalsContact CB-O 3.29Å; C265-G269 WeakPolarHBondContact CB-O 3.26Å; C265-C271 WeakPolarHBondContact SG-CA 3.06Å; C265-C271 VanDerWaalsContact SG-CB 3.53Å; C265-C293 WeakPolarHBondContact CA-SG 3.29Å; C265-C293 HydrophobicContact CB-CB 3.79Å; C265-C293 WeakPolarHBondContact CB-SG 3.49Å; C265-C293 WeakPolarHBondContact SG-CA 3.17Å; C265-C293 WeakPolarHBondContact SG-CB 3.29Å; C265-C293 CovalentContact SG-SG 2.03Å; C265-C293 PolarHBondContact SG-SG 2.97Å
266L90.2Very high81.5Confident64 Ų6479.4 Ų79.434%0.33542%0.42SS..THydrogen-bonded Turntrans-71.5165.4-176.9-53.9176.1000111.5E263 G268 G269 R303 C304 E305E263-L266 VanDerWaalsContact O-CD2 3.31Å; E263-L266 WeakPolarHBondContact O-CD2 3.14Å; L266-G268 PolarHBondContact O-N 3.01Å; L266-G268 VanDerWaalsContact O-N 3.17Å; L266-G269 PolarHBondContact O-N 3.06Å; L266-G269 VanDerWaalsContact O-N 3.1Å; L266-R303 WeakPolarHBondContact CA-O 3.36Å; L266-R303 VanDerWaalsContact CB-O 3.27Å; L266-R303 WeakPolarHBondContact CB-O 3.49Å; L266-R303 HydrophobicContact CG-CB 4.45Å; L266-R303 PolarHBondContact N-O 3.3Å; L266-C304 WeakPolarHBondContact O-CB 3.48Å; L266-E305 HydrophobicContact CD1-CB 3.97Å
267N88.4Confident80.7Confident80 Ų8083.5 Ų83.543%0.42843%0.431SS..THydrogen-bonded Turntrans56.832.3171.1-57.2-55.8000114.8Y299 C304N267-Y299 HydrophobicContact CB-CD1 3.95Å; N267-Y299 HydrophobicContact CB-CD2 4.15Å; N267-Y299 HydrophobicContact CB-CE1 3.95Å; N267-Y299 HydrophobicContact CB-CE2 4.14Å; N267-Y299 HydrophobicContact CB-CG 4.06Å; N267-Y299 VanDerWaalsContact CG-CE1 3.49Å; N267-Y299 WeakPolarHBondContact ND2-CD1 3.02Å; N267-Y299 VanDerWaalsContact ND2-CE1 3.34Å; N267-Y299 WeakPolarHBondContact ND2-CE1 3.49Å; N267-C304 PolarHBondContact ND2-O 3.43Å
268G85.6Confident79.7Confident60 Ų6081.6 Ų81.662%0.61943%0.429SS*.THydrogen-bonded Turntrans7529.2-179.500000113.6L266 S296L266-G268 PolarHBondContact O-N 3.01Å; L266-G268 VanDerWaalsContact O-N 3.17Å; G268-S296 PolarHBondContact O-OG 3.2Å
269G88.7Confident78.7Confident15 Ų1580 Ų8016%0.15542%0.423CS..PPolyproline II helixtrans-72.8146.9171.500000111.9C265 L266 I294C265-G269 VanDerWaalsContact CB-O 3.29Å; C265-G269 WeakPolarHBondContact CB-O 3.26Å; L266-G269 PolarHBondContact O-N 3.06Å; L266-G269 VanDerWaalsContact O-N 3.1Å; G269-I294 VanDerWaalsContact CA-O 3.23Å; G269-I294 WeakPolarHBondContact CA-O 3.5Å
270I90.4Very high77.9Confident106 Ų10680.2 Ų80.254%0.54443%0.431SS..EExtended strand (participates in β ladder)trans-94.9124.2177.4-58.2172.9000108.7C293 I294I270-C293 WeakPolarHBondContact O-CA 3.45Å; I270-I294 HydrophobicContact CB-CB 4.47Å; I270-I294 PolarHBondContact N-O 3.11Å; I270-I294 PolarHBondContact O-N 2.86Å
271C90.2Very high77.6Confident38 Ų3879.1 Ų79.126%0.25742%0.423SS..EExtended strand (participates in β ladder)trans-81.9131.3177.2-168.80000111.1C256 C265C256-C271 WeakPolarHBondContact CA-SG 3.43Å; C256-C271 HydrophobicContact CB-CB 3.75Å; C256-C271 WeakPolarHBondContact CB-SG 3.43Å; C256-C271 WeakPolarHBondContact SG-CB 2.83Å; C256-C271 CovalentContact SG-SG 2.04Å; C256-C271 PolarHBondContact SG-SG 3.08Å; C265-C271 WeakPolarHBondContact SG-CA 3.06Å; C265-C271 VanDerWaalsContact SG-CB 3.53Å
272I89.7Confident78.1Confident69 Ų6981.9 Ų81.935%0.35443%0.432SS..EExtended strand (participates in β ladder)trans-121.3123172-60178.1000108.2C256 F291 Q292 I294C256-I272 PolarHBondContact SG-N 3.44Å; I272-F291 CarbonylContact O-C 3.35Å; I272-F291 VanDerWaalsContact O-CA 3.28Å; I272-F291 WeakPolarHBondContact O-CA 3.03Å; I272-Q292 PolarHBondContact N-O 3.27Å; I272-Q292 PolarHBondContact O-N 3.48Å; I272-I294 HydrophobicContact CD1-CD1 3.41Å; I272-I294 VanDerWaalsContact CD1-CD1 3.41Å; I272-I294 HydrophobicContact CD1-CG1 3.85Å; I272-I294 HydrophobicContact CG1-CD1 4.47Å
273D88.4Confident78.5Confident58 Ų5881.9 Ų81.931%0.3143%0.432SS..EExtended strand (participates in β ladder)trans-65.9136.9172.1-175.251.4000110.5N254 C256N254-D273 WeakPolarHBondContact CA-OD1 3.46Å; C256-D273 PolarHBondContact SG-N 3.33Å; C256-D273 VanDerWaalsContact SG-N 3.38Å
274K85.9Confident77.6Confident79 Ų7979.8 Ų79.834%0.34343%0.427SS..  trans-139.2150.7-178.2-74.8-156.5173.1-170.20109.9N252 P276 G290 Q292N252-K274 PolarHBondContact ND2-O 3.12Å; K274-P276 WeakPolarHBondContact O-CD 3.49Å; K274-G290 CarbonylContact C-O 3.58Å; K274-G290 WeakPolarHBondContact CA-O 3.18Å; K274-G290 PolarHBondContact N-O 2.73Å; K274-G290 CarbonylContact O-C 3.56Å; K274-G290 WeakPolarHBondContact O-CA 3.39Å; K274-Q292 HydrophobicContact CD-CB 4.02Å; K274-Q292 HydrophobicContact CG-CB 4.43Å
275E81.7Confident76.2Confident127 Ų12784.6 Ų84.659%0.59345%0.452SS*.  trans-68.8127.8169.8-166.6160.7-159.700110.2Y240 Y277Y240-E275 WeakPolarHBondContact OH-CG 3.39Å; Y240-E275 PolarHBondContact OH-OE1 3.34Å; E275-Y277 PolarHBondContact O-N 2.99Å
276P76.5Confident74.5Confident13 Ų1390.3 Ų90.38%0.08448%0.478CS..  trans-61.1125.6177.8-1927.3000110.5Y240 N252 K274 V287Y240-P276 HydrophobicContact CD2-CB 4.42Å; Y240-P276 HydrophobicContact CD2-CG 3.9Å; Y240-P276 HydrophobicContact CE2-CB 3.85Å; Y240-P276 HydrophobicContact CE2-CG 3.54Å; N252-P276 WeakPolarHBondContact OD1-CD 3.2Å; K274-P276 WeakPolarHBondContact O-CD 3.49Å; P276-V287 HydrophobicContact CB-CG1 4.15Å
277Y70.7Confident73Confident125 Ų12589.7 Ų89.749%0.4948%0.476SS..  trans-110.2148174.751.5-80.7000110.1E275 I279 T288E275-Y277 PolarHBondContact O-N 2.99Å; Y277-I279 HydrophobicContact CD2-CD1 4.33Å; Y277-I279 HydrophobicContact CD2-CG1 3.8Å; Y277-I279 HydrophobicContact CE2-CD1 3.78Å; Y277-I279 HydrophobicContact CE2-CG1 3.77Å; Y277-T288 HydrophobicContact CE2-CG2 4.26Å; Y277-T288 PolarHBondContact O-N 3.32Å; Y277-T288 PolarHBondContact O-OG1 2.96Å
278S63.7Low71.9Confident86 Ų8687.1 Ų87.160%0.60146%0.464SS*.EExtended strand (participates in β ladder)trans-86.7123173.142.30000109.2
279I60.6Low71.1Confident66 Ų6690.8 Ų90.834%0.33846%0.46SS..EExtended strand (participates in β ladder)trans-98.4131.5167.3-52.6175.6000107Y277 E281 I285 E286 T288Y277-I279 HydrophobicContact CD2-CD1 4.33Å; Y277-I279 HydrophobicContact CD2-CG1 3.8Å; Y277-I279 HydrophobicContact CE2-CD1 3.78Å; Y277-I279 HydrophobicContact CE2-CG1 3.77Å; I279-E281 HydrophobicContact CG2-CB 4.3Å; I279-I285 WeakPolarHBondContact O-CA 3.21Å; I279-E286 PolarHBondContact N-O 3.45Å; I279-E286 PolarHBondContact O-N 2.84Å; I279-T288 HydrophobicContact CD1-CG2 3.61Å; I279-T288 HydrophobicContact CG1-CG2 4.22Å
280I58Low70.7Confident131 Ų13190.1 Ų90.167%0.67245%0.453SS*.EExtended strand (participates in β ladder)trans-93.9100.7168.5-56.2169.6000106.1
281E56.6Low70.5Confident117 Ų11786.1 Ų86.155%0.54743%0.431SS..EExtended strand (participates in β ladder)trans-121.8122.4174.3-162.7164.1-161.700108.7I279 D283 V284I279-E281 HydrophobicContact CG2-CB 4.3Å; E281-D283 PolarHBondContact O-N 3.48Å; E281-V284 PolarHBondContact N-O 2.84Å; E281-V284 PolarHBondContact O-N 2.83Å
282H64.8Low70.4Confident175 Ų17588.5 Ų88.581%0.8144%0.439SS*.THydrogen-bonded Turntrans49.247.5-178-63.9-63.9000115.2V284H282-V284 PolarHBondContact O-N 3.46Å; H282-V284 VanDerWaalsContact O-N 3.07Å
283D68.5Low70.4Confident161 Ų16185.7 Ų85.786%0.86143%0.425SS*.THydrogen-bonded Turntrans6010.6-176.4-81.4-25000115.2E281E281-D283 PolarHBondContact O-N 3.48Å
284V55.7Low70.5Confident82 Ų8287 Ų8750%0.49743%0.431SS..EExtended strand (participates in β ladder)trans-105.8122.2172.6-173.30000108.8E281 H282 E286E281-V284 PolarHBondContact N-O 2.84Å; E281-V284 PolarHBondContact O-N 2.83Å; H282-V284 PolarHBondContact O-N 3.46Å; H282-V284 VanDerWaalsContact O-N 3.07Å; V284-E286 HydrophobicContact CG1-CG 4.02Å; V284-E286 PolarHBondContact O-N 3.06Å; V284-E286 VanDerWaalsContact O-N 3.15Å
285I57.6Low70.7Confident116 Ų11685 Ų8560%0.59543%0.427SS*.EExtended strand (participates in β ladder)trans-79.892.5171.1-57.1172.4000107.4I279 V287I279-I285 WeakPolarHBondContact O-CA 3.21Å; I285-V287 HydrophobicContact CG2-CG2 4.25Å; I285-V287 PolarHBondContact O-N 3.27Å
286E53.6Low70.9Confident129 Ų12981.2 Ų81.260%0.60341%0.414SS*.EExtended strand (participates in β ladder)trans-85.4106.2167.7-71.6-163.617000108.7I279 V284 T288I279-E286 PolarHBondContact N-O 3.45Å; I279-E286 PolarHBondContact O-N 2.84Å; V284-E286 HydrophobicContact CG1-CG 4.02Å; V284-E286 PolarHBondContact O-N 3.06Å; V284-E286 VanDerWaalsContact O-N 3.15Å; E286-T288 PolarHBondContact O-N 2.96Å
287V57.9Low71.3Confident50 Ų5087.3 Ų87.330%0.30345%0.446SS..EExtended strand (participates in β ladder)trans-74.9111.4168.8-177.10000107.1K238 P276 I285K238-V287 HydrophobicContact CB-CB 4.3Å; K238-V287 HydrophobicContact CB-CG1 4.04Å; P276-V287 HydrophobicContact CB-CG1 4.15Å; I285-V287 HydrophobicContact CG2-CG2 4.25Å; I285-V287 PolarHBondContact O-N 3.27Å
288T65.7Low71.8Confident26 Ų2683.9 Ų83.916%0.1645%0.449CS..  trans-66.3146.3174.555.20000109.8Y277 I279 E286Y277-T288 HydrophobicContact CE2-CG2 4.26Å; Y277-T288 PolarHBondContact O-N 3.32Å; Y277-T288 PolarHBondContact O-OG1 2.96Å; I279-T288 HydrophobicContact CD1-CG2 3.61Å; I279-T288 HydrophobicContact CG1-CG2 4.22Å; E286-T288 PolarHBondContact O-N 2.96Å
289Y67.7Low73Confident138 Ų13882.7 Ų82.754%0.54143%0.432SS..  trans-52.6146.1167.3-62.1-83.3000110.6F291Y289-F291 VanDerWaalsContact CB-CD1 3.43Å; Y289-F291 HydrophobicContact CD1-CE1 4.15Å; Y289-F291 HydrophobicContact CD2-CE1 4.18Å; Y289-F291 HydrophobicContact CG-CD1 4.29Å; Y289-F291 AromaticContact CG-CE1 3.61Å; Y289-F291 HydrophobicContact CG-CE1 3.61Å; Y289-F291 HydrophobicContact CG-CZ 4.37Å; Y289-F291 PolarHBondContact O-N 3.13Å
290G80.9Confident74.3Confident0 Ų082.2 Ų82.20%043%0.434CS..SBendtrans-71.334.5179.600000114E255 K274E255-G290 WeakPolarHBondContact OE1-CA 3.35Å; E255-G290 PolarHBondContact OE1-N 2.82Å; E255-G290 WeakPolarHBondContact OE2-CA 3.05Å; E255-G290 VanDerWaalsContact OE2-O 3.04Å; K274-G290 CarbonylContact C-O 3.58Å; K274-G290 WeakPolarHBondContact CA-O 3.18Å; K274-G290 PolarHBondContact N-O 2.73Å; K274-G290 CarbonylContact O-C 3.56Å; K274-G290 WeakPolarHBondContact O-CA 3.39Å
291F86.1Confident75.8Confident22 Ų2277.1 Ų77.110%0.09641%0.414CS..EExtended strand (participates in β ladder)trans-142.8157.7179.672.6-94.2000112.9E255 I264 I272 Y289 R303E255-F291 HydrophobicContact CB-CD1 4Å; E255-F291 HydrophobicContact CG-CD1 4.31Å; I264-F291 HydrophobicContact CG2-CD1 4.27Å; I264-F291 HydrophobicContact CG2-CD2 3.51Å; I264-F291 HydrophobicContact CG2-CE1 4.06Å; I264-F291 HydrophobicContact CG2-CE2 3.29Å; I264-F291 HydrophobicContact CG2-CG 4.03Å; I264-F291 HydrophobicContact CG2-CZ 3.6Å; I272-F291 CarbonylContact O-C 3.35Å; I272-F291 VanDerWaalsContact O-CA 3.28Å; I272-F291 WeakPolarHBondContact O-CA 3.03Å; Y289-F291 VanDerWaalsContact CB-CD1 3.43Å; Y289-F291 HydrophobicContact CD1-CE1 4.15Å; Y289-F291 HydrophobicContact CD2-CE1 4.18Å; Y289-F291 HydrophobicContact CG-CD1 4.29Å; Y289-F291 AromaticContact CG-CE1 3.61Å; Y289-F291 HydrophobicContact CG-CE1 3.61Å; Y289-F291 HydrophobicContact CG-CZ 4.37Å; Y289-F291 PolarHBondContact O-N 3.13Å; F291-R303 HydrophobicContact CE2-CG 4.3Å; F291-R303 HydrophobicContact CZ-CG 4.31Å
292Q87.7Confident77.3Confident88 Ų8876.4 Ų76.441%0.41141%0.411SS..EExtended strand (participates in β ladder)trans-128.6133.3169-178.6179.76.500110.1I272 K274I272-Q292 PolarHBondContact N-O 3.27Å; I272-Q292 PolarHBondContact O-N 3.48Å; K274-Q292 HydrophobicContact CD-CB 4.02Å; K274-Q292 HydrophobicContact CG-CB 4.43Å
293C90.7Very high78.5Confident11 Ų1173 Ų737%0.07439%0.391CS..EExtended strand (participates in β ladder)trans-92.1127.7169-62.60000111.2C265 I270 Q302C265-C293 WeakPolarHBondContact CA-SG 3.29Å; C265-C293 HydrophobicContact CB-CB 3.79Å; C265-C293 WeakPolarHBondContact CB-SG 3.49Å; C265-C293 WeakPolarHBondContact SG-CA 3.17Å; C265-C293 WeakPolarHBondContact SG-CB 3.29Å; C265-C293 CovalentContact SG-SG 2.03Å; C265-C293 PolarHBondContact SG-SG 2.97Å; I270-C293 WeakPolarHBondContact O-CA 3.45Å; C293-Q302 WeakPolarHBondContact CB-O 3.42Å; C293-Q302 PolarHBondContact SG-O 3.05Å
294I90.3Very high79.6Confident84 Ų8465.3 Ų65.343%0.43135%0.35SS..EExtended strand (participates in β ladder)trans-86.4115.6163.8-60.3-177.7000108.1G269 I270 I272G269-I294 VanDerWaalsContact CA-O 3.23Å; G269-I294 WeakPolarHBondContact CA-O 3.5Å; I270-I294 HydrophobicContact CB-CB 4.47Å; I270-I294 PolarHBondContact N-O 3.11Å; I270-I294 PolarHBondContact O-N 2.86Å; I272-I294 HydrophobicContact CD1-CD1 3.41Å; I272-I294 VanDerWaalsContact CD1-CD1 3.41Å; I272-I294 HydrophobicContact CD1-CG1 3.85Å; I272-I294 HydrophobicContact CG1-CD1 4.47Å
295C89.8Confident81.2Confident39 Ų3965.4 Ų65.426%0.26435%0.345SS..  trans-86.6132.6-177.6-54.70000112.6Y299 C304C295-Y299 WeakPolarHBondContact CB-O 3.29Å; C295-C304 WeakPolarHBondContact CA-SG 3.5Å; C295-C304 HydrophobicContact CB-CB 3.78Å; C295-C304 WeakPolarHBondContact CB-SG 3.43Å; C295-C304 WeakPolarHBondContact SG-CA 3.07Å; C295-C304 WeakPolarHBondContact SG-CB 3.49Å; C295-C304 CovalentContact SG-SG 2.04Å; C295-C304 PolarHBondContact SG-SG 3.11Å
296S86.8Confident82.8Confident46 Ų4667.5 Ų67.532%0.32235%0.345SS..  trans-94.4162.1175.5-64.20000111G268 G298 Y299G268-S296 PolarHBondContact O-OG 3.2Å; S296-G298 VanDerWaalsContact C-N 3.25Å; S296-G298 PolarHBondContact O-N 3.3Å; S296-G298 VanDerWaalsContact O-N 3.11Å; S296-Y299 WeakPolarHBondContact O-CD2 3.44Å; S296-Y299 PolarHBondContact O-N 2.95Å
297N84.6Confident84.4Confident141 Ų14171 Ų7175%0.75435%0.353SS*.THydrogen-bonded Turntrans57.527.8170.7-59.6-43.3000116.1Y299N297-Y299 VanDerWaalsContact C-N 3.26Å; N297-Y299 HydrophobicContact CB-CD2 4.2Å; N297-Y299 HydrophobicContact CB-CE2 4.4Å; N297-Y299 PolarHBondContact O-N 2.87Å
298G81.1Confident85.6Confident53 Ų5370.6 Ų70.655%0.54635%0.351SS..THydrogen-bonded Turntrans75.87.9177.900000115S296 P308S296-G298 VanDerWaalsContact C-N 3.25Å; S296-G298 PolarHBondContact O-N 3.3Å; S296-G298 VanDerWaalsContact O-N 3.11Å; G298-P308 WeakPolarHBondContact O-CB 3.26Å
299Y88.9Confident86.2Confident61 Ų6174.7 Ų74.724%0.23938%0.378CS..  trans-63.3153.3167-75.9-95.7000110.4N267 C295 S296 N297 C304 R306 R307N267-Y299 HydrophobicContact CB-CD1 3.95Å; N267-Y299 HydrophobicContact CB-CD2 4.15Å; N267-Y299 HydrophobicContact CB-CE1 3.95Å; N267-Y299 HydrophobicContact CB-CE2 4.14Å; N267-Y299 HydrophobicContact CB-CG 4.06Å; N267-Y299 VanDerWaalsContact CG-CE1 3.49Å; N267-Y299 WeakPolarHBondContact ND2-CD1 3.02Å; N267-Y299 VanDerWaalsContact ND2-CE1 3.34Å; N267-Y299 WeakPolarHBondContact ND2-CE1 3.49Å; C295-Y299 WeakPolarHBondContact CB-O 3.29Å; S296-Y299 WeakPolarHBondContact O-CD2 3.44Å; S296-Y299 PolarHBondContact O-N 2.95Å; N297-Y299 VanDerWaalsContact C-N 3.26Å; N297-Y299 HydrophobicContact CB-CD2 4.2Å; N297-Y299 HydrophobicContact CB-CE2 4.4Å; N297-Y299 PolarHBondContact O-N 2.87Å; Y299-C304 WeakPolarHBondContact CD1-O 3.48Å; Y299-R306 CarbonylContact C-O 3.6Å; Y299-R306 WeakPolarHBondContact CA-O 3.48Å; Y299-R306 WeakPolarHBondContact CD1-O 3.48Å; Y299-R307 HydrophobicContact CE1-CB 4.36Å; Y299-R307 HydrophobicContact CE1-CG 4.32Å
300S88Confident86.7Confident57 Ų5773 Ų7340%0.39938%0.384SS..BIsolated β-bridgetrans-141.9177.6178.260.90000110.7C304 E305 R306S300-C304 CarbonylContact O-C 3.59Å; S300-C304 WeakPolarHBondContact O-CA 3.27Å; S300-E305 PolarHBondContact O-N 2.85Å; S300-R306 PolarHBondContact N-O 3.21Å; S300-R306 WeakPolarHBondContact O-CA 3.46Å; S300-R306 WeakPolarHBondContact O-CB 3.25Å; S300-R306 PolarHBondContact O-N 3.25Å; S300-R306 WeakPolarHBondContact OG-CB 3.42Å
301G88.6Confident86.6Confident24 Ų2476.4 Ų76.425%0.24740%0.402CS..SBendtrans103.6171.2-172.900000112.2R303 C304 E305G301-R303 VanDerWaalsContact C-N 3.27Å; G301-R303 PolarHBondContact O-N 3.03Å; G301-C304 PolarHBondContact O-N 3.32Å; G301-E305 WeakPolarHBondContact CA-OE1 3.37Å
302Q89.4Confident86.3Confident101 Ų10181.3 Ų81.347%0.47243%0.426SS..THydrogen-bonded Turntrans-68.2-31.8-174.3-173.3177.919.600111.8C293 E305C293-Q302 WeakPolarHBondContact CB-O 3.42Å; C293-Q302 PolarHBondContact SG-O 3.05Å; Q302-E305 PolarHBondContact N-OE1 3.32Å; Q302-E305 PolarHBondContact N-OE2 2.95Å
303R89.5Confident86.2Confident103 Ų10380.3 Ų80.339%0.38942%0.418SS..THydrogen-bonded Turntrans-118.116.6-179.1-65.1177.766.7173.40.3111.7E263 I264 L266 F291 G301 E305E263-R303 PolarHBondContact O-NH2 3.05Å; I264-R303 VanDerWaalsContact O-CB 3.26Å; I264-R303 WeakPolarHBondContact O-CB 3.47Å; I264-R303 VanDerWaalsContact O-CG 3.25Å; I264-R303 WeakPolarHBondContact O-CG 3.4Å; I264-R303 PolarHBondContact O-NE 3.17Å; L266-R303 WeakPolarHBondContact CA-O 3.36Å; L266-R303 VanDerWaalsContact CB-O 3.27Å; L266-R303 WeakPolarHBondContact CB-O 3.49Å; L266-R303 HydrophobicContact CG-CB 4.45Å; L266-R303 PolarHBondContact N-O 3.3Å; F291-R303 HydrophobicContact CE2-CG 4.3Å; F291-R303 HydrophobicContact CZ-CG 4.31Å; G301-R303 VanDerWaalsContact C-N 3.27Å; G301-R303 PolarHBondContact O-N 3.03Å; R303-E305 VanDerWaalsContact C-N 3.26Å; R303-E305 VanDerWaalsContact C-OE2 3.27Å; R303-E305 VanDerWaalsContact CA-OE2 3.29Å; R303-E305 WeakPolarHBondContact CA-OE2 3.43Å; R303-E305 WeakPolarHBondContact CB-OE2 3.42Å; R303-E305 PolarHBondContact N-OE2 3.49Å; R303-E305 PolarHBondContact O-N 2.91Å
304C91Very high86Confident1 Ų182.9 Ų82.91%0.00743%0.433CS..SBendtrans61.829.9-174.8-48.90000114.3L266 N267 C295 Y299 S300 G301L266-C304 WeakPolarHBondContact O-CB 3.48Å; N267-C304 PolarHBondContact ND2-O 3.43Å; C295-C304 WeakPolarHBondContact CA-SG 3.5Å; C295-C304 HydrophobicContact CB-CB 3.78Å; C295-C304 WeakPolarHBondContact CB-SG 3.43Å; C295-C304 WeakPolarHBondContact SG-CA 3.07Å; C295-C304 WeakPolarHBondContact SG-CB 3.49Å; C295-C304 CovalentContact SG-SG 2.04Å; C295-C304 PolarHBondContact SG-SG 3.11Å; Y299-C304 WeakPolarHBondContact CD1-O 3.48Å; S300-C304 CarbonylContact O-C 3.59Å; S300-C304 WeakPolarHBondContact O-CA 3.27Å; G301-C304 PolarHBondContact O-N 3.32Å
305E90.4Very high86Confident84 Ų8485 Ų8539%0.39345%0.45SS..  trans-77.2-23-177.870-76.7177.500113.9L266 S300 G301 Q302 R303L266-E305 HydrophobicContact CD1-CB 3.97Å; S300-E305 PolarHBondContact O-N 2.85Å; G301-E305 WeakPolarHBondContact CA-OE1 3.37Å; Q302-E305 PolarHBondContact N-OE1 3.32Å; Q302-E305 PolarHBondContact N-OE2 2.95Å; R303-E305 VanDerWaalsContact C-N 3.26Å; R303-E305 VanDerWaalsContact C-OE2 3.27Å; R303-E305 VanDerWaalsContact CA-OE2 3.29Å; R303-E305 WeakPolarHBondContact CA-OE2 3.43Å; R303-E305 WeakPolarHBondContact CB-OE2 3.42Å; R303-E305 PolarHBondContact N-OE2 3.49Å; R303-E305 PolarHBondContact O-N 2.91Å
306R90.8Very high86.2Confident159 Ų15986.3 Ų86.360%0.645%0.45SS*.BIsolated β-bridgetrans-87.1120.9-177-52.9177.4-173.3164.6-0.1109.9Y299 S300Y299-R306 CarbonylContact C-O 3.6Å; Y299-R306 WeakPolarHBondContact CA-O 3.48Å; Y299-R306 WeakPolarHBondContact CD1-O 3.48Å; S300-R306 PolarHBondContact N-O 3.21Å; S300-R306 WeakPolarHBondContact O-CA 3.46Å; S300-R306 WeakPolarHBondContact O-CB 3.25Å; S300-R306 PolarHBondContact O-N 3.25Å; S300-R306 WeakPolarHBondContact OG-CB 3.42Å
307R86.5Confident86.4Confident202 Ų20286.5 Ų86.576%0.76245%0.451SS*.PPolyproline II helixtrans-65.3145176.2-164.1179.2-161169.46.5111.1Y299Y299-R307 HydrophobicContact CE1-CB 4.36Å; Y299-R307 HydrophobicContact CE1-CG 4.32Å
308P83Confident86.9Confident42 Ų4287.9 Ų87.927%0.27345%0.453SS..PPolyproline II helixtrans-56.2150.2168.721.4-33.6000111.6G298G298-P308 WeakPolarHBondContact O-CB 3.26Å
309P79.7Confident87.5Confident112 Ų11289.2 Ų89.273%0.72744%0.442SS*.PPolyproline II helixtrans-57.5146.7174.722.8-31.2000110.8
310P76.7Confident87.5Confident102 Ų10289.4 Ų89.466%0.66245%0.449SS*.PPolyproline II helixtrans-61143.5175.226.7-33.1000109.9Q312P310-Q312 PolarHBondContact O-N 3.27Å
311L78.5Confident87.5Confident72 Ų7295.3 Ų95.338%0.37747%0.47SS..PPolyproline II helixtrans-65.6117.9177.7-69.1154.2000109.5L339 R342L311-L339 HydrophobicContact CD2-CB 3.74Å; L311-L339 HydrophobicContact CD2-CD1 3.63Å; L311-L339 HydrophobicContact CD2-CG 4.15Å; L311-R342 HydrophobicContact CD1-CB 3.71Å; L311-R342 WeakPolarHBondContact CD1-O 3.44Å; L311-R342 HydrophobicContact CD2-CB 3.5Å; L311-R342 HydrophobicContact CD2-CG 4.46Å; L311-R342 HydrophobicContact CG-CB 4.22Å
312Q80.8Confident87.4Confident126 Ų12695.8 Ų95.859%0.58947%0.47SS*.  trans-113.4143.9179.8-68.9-177.7-0.700111.2P310 S338 C343P310-Q312 PolarHBondContact O-N 3.27Å; Q312-S338 PolarHBondContact O-N 2.79Å; Q312-S338 VanDerWaalsContact O-N 3.14Å; Q312-S338 PolarHBondContact O-OG 2.84Å; Q312-C343 VanDerWaalsContact C-SG 3.59Å; Q312-C343 PolarHBondContact O-SG 2.83Å; Q312-C343 VanDerWaalsContact O-SG 3.38Å
313W85.5Confident87.1Confident66 Ų6694.7 Ų94.725%0.2547%0.473CS..BIsolated β-bridgetrans-77.4143.1165.1-71107.5000109.5R335 N336 C337 C343 I344 G345W313-R335 HydrophobicContact CD2-CG 4.17Å; W313-R335 HydrophobicContact CE3-CB 4.43Å; W313-R335 HydrophobicContact CE3-CG 3.61Å; W313-R335 HydrophobicContact CZ3-CG 4.12Å; W313-N336 CarbonylContact C-O 3.45Å; W313-C337 HydrophobicContact CE3-CB 4.1Å; W313-C337 HydrophobicContact CH2-CB 4.49Å; W313-C337 HydrophobicContact CZ3-CB 3.96Å; W313-C343 HydrophobicContact CD2-CB 3.76Å; W313-C343 HydrophobicContact CE3-CB 4.22Å; W313-C343 HydrophobicContact CG-CB 4.36Å; W313-C343 HydrophobicContact CH2-CB 3.84Å; W313-C343 HydrophobicContact CZ2-CB 3.3Å; W313-C343 HydrophobicContact CZ3-CB 4.26Å; W313-I344 PolarHBondContact NE1-O 3.03Å; W313-G345 WeakPolarHBondContact CH2-O 3.48Å; W313-G345 WeakPolarHBondContact CZ2-O 3.09Å
314T86.6Confident86.7Confident65 Ų6592 Ų9240%0.39947%0.468SS..PPolyproline II helixtrans-63.2165.6165.765.10000110.2N336T314-N336 HydrophobicContact CG2-CB 4.15Å; T314-N336 WeakPolarHBondContact CG2-O 3.07Å; T314-N336 PolarHBondContact N-O 3.29Å; T314-N336 PolarHBondContact OG1-N 3.37Å; T314-N336 PolarHBondContact OG1-O 3.27Å
315T90.8Very high86.3Confident128 Ų128100.5 Ų100.579%0.78551%0.505SS*.PPolyproline II helixtrans-54.2149.1162.652.90000109.5
316W93.8Very high85.8Confident68 Ų6898.5 Ų98.526%0.25850%0.5SS..PPolyproline II helixtrans-63.3144.7170.7-70102.4000109.9R333 F334 R335 Y347 Q349W316-R333 HydrophobicContact CB-CG 4.34Å; W316-R333 HydrophobicContact CD2-CG 4.04Å; W316-R333 HydrophobicContact CE3-CB 4.33Å; W316-R333 HydrophobicContact CE3-CG 3.62Å; W316-R333 HydrophobicContact CG-CG 4.38Å; W316-R333 HydrophobicContact CZ3-CG 4.22Å; W316-R333 WeakPolarHBondContact CZ3-O 3.46Å; W316-F334 CarbonylContact C-O 3.15Å; W316-F334 WeakPolarHBondContact CA-O 3.24Å; W316-F334 VanDerWaalsContact CE3-C 3.42Å; W316-R335 HydrophobicContact CD2-CB 4.05Å; W316-R335 HydrophobicContact CD2-CG 4.14Å; W316-R335 HydrophobicContact CE3-CB 3.76Å; W316-R335 HydrophobicContact CE3-CG 3.78Å; W316-R335 HydrophobicContact CH2-CG 3.71Å; W316-R335 HydrophobicContact CZ2-CG 4.08Å; W316-R335 VanDerWaalsContact CZ2-NE 3.33Å; W316-R335 HydrophobicContact CZ3-CB 4.05Å; W316-R335 HydrophobicContact CZ3-CG 3.56Å; W316-Y347 WeakPolarHBondContact CZ3-O 3.41Å; W316-Q349 HydrophobicContact CE3-CB 4.45Å; W316-Q349 HydrophobicContact CH2-CB 3.63Å; W316-Q349 HydrophobicContact CZ2-CB 4.11Å; W316-Q349 HydrophobicContact CZ3-CB 3.82Å
317S91.6Very high85.4Confident50 Ų5091.6 Ų91.635%0.3548%0.478SS..PPolyproline II helixtrans-61.2164.2166.573.40000110.2F334S317-F334 PolarHBondContact N-O 2.46Å; S317-F334 PolarHBondContact OG-N 3.49Å
318E94.5Very high85.1Confident170 Ų17088.3 Ų88.379%0.79447%0.474SS*.PPolyproline II helixtrans-54.2150.7160-69.1-55.6143.700110.2
319W92.7Very high85.3Confident81 Ų8186.6 Ų86.631%0.30746%0.464SS..PPolyproline II helixtrans-66.3139171.8-71.2107.8000109.8H331 K332 R333 Q349 S351W319-H331 HydrophobicContact CB-CB 4.47Å; W319-H331 VanDerWaalsContact CB-ND1 3.26Å; W319-H331 WeakPolarHBondContact CB-ND1 3.48Å; W319-H331 AromaticContact CD1-CE1 3.97Å; W319-H331 AromaticContact CD1-ND1 3.92Å; W319-H331 AromaticContact CD2-CE1 3.23Å; W319-H331 AromaticContact CD2-ND1 2.95Å; W319-H331 AromaticContact CE2-CE1 3.5Å; W319-H331 AromaticContact CE2-ND1 3.75Å; W319-H331 HydrophobicContact CE3-CB 4.35Å; W319-H331 AromaticContact CE3-CE1 3.46Å; W319-H331 VanDerWaalsContact CE3-CE1 3.46Å; W319-H331 AromaticContact CE3-CG 3.79Å; W319-H331 AromaticContact CE3-ND1 2.97Å; W319-H331 AromaticContact CG-CE1 3.54Å; W319-H331 AromaticContact CG-ND1 3.1Å; W319-H331 AromaticContact CZ2-CE1 3.99Å; W319-H331 AromaticContact CZ3-CE1 3.92Å; W319-H331 AromaticContact CZ3-ND1 3.78Å; W319-H331 WeakPolarHBondContact CZ3-O 3.4Å; W319-H331 AromaticContact NE1-CE1 3.95Å; W319-K332 CarbonylContact C-O 3.52Å; W319-K332 WeakPolarHBondContact CA-O 3.27Å; W319-R333 HydrophobicContact CD2-CB 3.86Å; W319-R333 HydrophobicContact CD2-CG 3.93Å; W319-R333 VanDerWaalsContact CE2-CD 3.44Å; W319-R333 HydrophobicContact CE3-CB 3.62Å; W319-R333 HydrophobicContact CE3-CG 3.68Å; W319-R333 HydrophobicContact CG-CB 4.44Å; W319-R333 HydrophobicContact CH2-CG 3.7Å; W319-R333 VanDerWaalsContact CZ2-CD 3.42Å; W319-R333 HydrophobicContact CZ2-CG 3.94Å; W319-R333 HydrophobicContact CZ3-CB 4.02Å; W319-R333 HydrophobicContact CZ3-CG 3.57Å; W319-Q349 HydrophobicContact CH2-CB 4.42Å; W319-Q349 HydrophobicContact CH2-CG 4.05Å; W319-Q349 WeakPolarHBondContact CZ3-O 3.47Å; W319-S351 VanDerWaalsContact CH2-CB 3.43Å
320T88.5Confident85.5Confident65 Ų6583.5 Ų83.540%0.39944%0.443SS..PPolyproline II helixtrans-60.9162.517062.50000110.8H331 K332 F334T320-H331 WeakPolarHBondContact O-CB 3.22Å; T320-K332 HydrophobicContact CG2-CB 4.47Å; T320-K332 WeakPolarHBondContact CG2-O 3.44Å; T320-K332 PolarHBondContact N-O 2.97Å; T320-K332 PolarHBondContact OG1-N 2.96Å; T320-K332 PolarHBondContact OG1-O 2.89Å; T320-F334 HydrophobicContact CG2-CE2 4.16Å
321E88.2Confident85.9Confident180 Ų18079.8 Ų79.884%0.84142%0.417SS*.PPolyproline II helixtrans-53.8153.9165.5-68.3-170.817200111.2S323E321-S323 PolarHBondContact O-N 3.41Å
322C86.9Confident86.4Confident35 Ų3579.4 Ų79.424%0.23641%0.412CS..PPolyproline II helixtrans-63.8135.1177.2-162.30000109.6V324 C353C322-V324 PolarHBondContact O-N 2.93Å; C322-C353 WeakPolarHBondContact CA-SG 3.23Å; C322-C353 HydrophobicContact CB-CB 3.78Å; C322-C353 WeakPolarHBondContact CB-SG 3.4Å; C322-C353 WeakPolarHBondContact SG-CB 3.47Å; C322-C353 CovalentContact SG-SG 2.03Å; C322-C353 PolarHBondContact SG-SG 3.07Å
323S83.4Confident87Confident77 Ų7776.4 Ų76.454%0.53840%0.395SS..SBendtrans-59.1-14.9-179.966.50000114.1E321 V330E321-S323 PolarHBondContact O-N 3.41Å; S323-V330 WeakPolarHBondContact CB-O 3.35Å; S323-V330 PolarHBondContact N-O 3.27Å; S323-V330 PolarHBondContact OG-N 3.22Å; S323-V330 PolarHBondContact OG-O 2.94Å
324V80.4Confident87.3Confident47 Ų4777.1 Ų77.129%0.28540%0.401SS..  trans-130.1148.6-179.2-55.60000111C322 C326 G355C322-V324 PolarHBondContact O-N 2.93Å; V324-C326 WeakPolarHBondContact CB-O 2.95Å; V324-C326 WeakPolarHBondContact CG2-O 3.48Å; V324-G355 WeakPolarHBondContact O-CA 3.42Å
325K82.4Confident87.5Confident179 Ų17976.2 Ų76.278%0.77839%0.39SS*.SBendtrans-86.1-23173.6-65.2-173.7178-177.20113.2G355 H356 V357K325-G355 CarbonylContact O-C 3.6Å; K325-G355 WeakPolarHBondContact O-CA 3.22Å; K325-H356 PolarHBondContact O-N 3.01Å; K325-V357 PolarHBondContact O-N 2.03Å; K325-V357 VanDerWaalsContact O-N 3.16Å
326C80.6Confident87.2Confident42 Ų4275.3 Ų75.328%0.28438%0.38SS..BIsolated β-bridgetrans-133.4151.2176.763.70000111V324 V357 C360V324-C326 WeakPolarHBondContact CB-O 2.95Å; V324-C326 WeakPolarHBondContact CG2-O 3.48Å; C326-V357 CarbonylContact C-O 3.21Å; C326-V357 WeakPolarHBondContact CA-O 3.3Å; C326-V357 HydrophobicContact CB-CB 3.88Å; C326-C360 HydrophobicContact CB-CB 4.07Å; C326-C360 WeakPolarHBondContact CB-SG 3.13Å; C326-C360 PolarHBondContact O-SG 3.09Å; C326-C360 WeakPolarHBondContact SG-CB 3.23Å; C326-C360 CovalentContact SG-SG 2.04Å; C326-C360 PolarHBondContact SG-SG 2.99Å
327G81.5Confident86.7Confident14 Ų1473.1 Ų73.114%0.14438%0.375CS..SBendtrans74.6-152.3-179.400000113.9Q354 G355 V357G327-Q354 WeakPolarHBondContact O-CA 3.41Å; G327-G355 PolarHBondContact O-N 3.14Å; G327-V357 PolarHBondContact N-O 3.19Å
328I82.2Confident86.1Confident133 Ų13374.9 Ų74.968%0.68239%0.387SS*.EExtended strand (participates in β ladder)trans-99.9122.8-179.2-58.4172.3000109.1K352 C353I328-K352 HydrophobicContact CG2-CB 4.46Å; I328-C353 CarbonylContact C-O 3.38Å; I328-C353 WeakPolarHBondContact CA-O 3.05Å
329G85.2Confident85Confident6 Ų671.3 Ų71.36%0.06237%0.373CS..EExtended strand (participates in β ladder)trans-119.9-164.3172.700000112.5K352 C353G329-K352 WeakPolarHBondContact O-CA 3.35Å; G329-C353 PolarHBondContact N-O 3.05Å; G329-C353 PolarHBondContact O-N 2.83Å
330V84Confident83.8Confident47 Ų4772.5 Ų72.529%0.28539%0.391SS..EExtended strand (participates in β ladder)trans-126.5149.5173.6-65.10000111.2S323 V350 S351 C353S323-V330 WeakPolarHBondContact CB-O 3.35Å; S323-V330 PolarHBondContact N-O 3.27Å; S323-V330 PolarHBondContact OG-N 3.22Å; S323-V330 PolarHBondContact OG-O 2.94Å; V330-V350 HydrophobicContact CB-CG1 3.93Å; V330-V350 HydrophobicContact CG1-CG1 4.2Å; V330-V350 HydrophobicContact CG2-CG1 4.47Å; V330-S351 VanDerWaalsContact CA-O 3.28Å; V330-S351 WeakPolarHBondContact CA-O 3.47Å; V330-C353 VanDerWaalsContact CA-SG 3.59Å; V330-C353 PolarHBondContact N-SG 3.29Å; V330-C353 VanDerWaalsContact N-SG 3.41Å
331H86.9Confident82.5Confident25 Ų2576.5 Ų76.512%0.11641%0.41CS..EExtended strand (participates in β ladder)trans-126.9147.9171.960.3117.2000108.4W319 T320 S351 K352 C353W319-H331 HydrophobicContact CB-CB 4.47Å; W319-H331 VanDerWaalsContact CB-ND1 3.26Å; W319-H331 WeakPolarHBondContact CB-ND1 3.48Å; W319-H331 AromaticContact CD1-CE1 3.97Å; W319-H331 AromaticContact CD1-ND1 3.92Å; W319-H331 AromaticContact CD2-CE1 3.23Å; W319-H331 AromaticContact CD2-ND1 2.95Å; W319-H331 AromaticContact CE2-CE1 3.5Å; W319-H331 AromaticContact CE2-ND1 3.75Å; W319-H331 HydrophobicContact CE3-CB 4.35Å; W319-H331 AromaticContact CE3-CE1 3.46Å; W319-H331 VanDerWaalsContact CE3-CE1 3.46Å; W319-H331 AromaticContact CE3-CG 3.79Å; W319-H331 AromaticContact CE3-ND1 2.97Å; W319-H331 AromaticContact CG-CE1 3.54Å; W319-H331 AromaticContact CG-ND1 3.1Å; W319-H331 AromaticContact CZ2-CE1 3.99Å; W319-H331 AromaticContact CZ3-CE1 3.92Å; W319-H331 AromaticContact CZ3-ND1 3.78Å; W319-H331 WeakPolarHBondContact CZ3-O 3.4Å; W319-H331 AromaticContact NE1-CE1 3.95Å; T320-H331 WeakPolarHBondContact O-CB 3.22Å; H331-S351 PolarHBondContact CD2-O 2.61Å; H331-S351 PolarHBondContact N-O 3.25Å; H331-S351 VanDerWaalsContact NE2-CB 3.28Å; H331-S351 WeakPolarHBondContact NE2-CB 3.38Å; H331-S351 PolarHBondContact NE2-OG 2.68Å; H331-S351 PolarHBondContact O-N 2.86Å; H331-K352 VanDerWaalsContact CD2-C 3.5Å; H331-K352 PolarHBondContact NE2-O 3.13Å; H331-K352 VanDerWaalsContact NE2-O 3.15Å; H331-C353 HydrophobicContact CB-CB 4.37Å; H331-C353 WeakPolarHBondContact CD2-CB 3.43Å
332K88.8Confident81.7Confident64 Ų6476.1 Ų76.128%0.27840%0.401SS..EExtended strand (participates in β ladder)trans-118.2149.3-175.1-56.4-173.8-179.6177.10109.4W319 T320 F334 Q349 V350 E388W319-K332 CarbonylContact C-O 3.52Å; W319-K332 WeakPolarHBondContact CA-O 3.27Å; T320-K332 HydrophobicContact CG2-CB 4.47Å; T320-K332 WeakPolarHBondContact CG2-O 3.44Å; T320-K332 PolarHBondContact N-O 2.97Å; T320-K332 PolarHBondContact OG1-N 2.96Å; T320-K332 PolarHBondContact OG1-O 2.89Å; K332-F334 HydrophobicContact CB-CE2 4.16Å; K332-F334 HydrophobicContact CB-CZ 4.02Å; K332-Q349 CarbonylContact C-O 3.43Å; K332-Q349 WeakPolarHBondContact CA-O 3.39Å; K332-V350 HydrophobicContact CD-CG2 4.43Å; K332-V350 HydrophobicContact CG-CG1 4.4Å; K332-V350 HydrophobicContact CG-CG2 4.12Å; K332-E388 IonicContact NZ-OE1 2.96Å; K332-E388 PolarHBondContact NZ-OE1 2.95Å
333R92.8Very high81.3Confident62 Ų6275.3 Ų75.323%0.23440%0.396CS..EExtended strand (participates in β ladder)trans-135153.1167.666.4178.9-174.1-1790.3109.7W316 W319 V348 Q349W316-R333 HydrophobicContact CB-CG 4.34Å; W316-R333 HydrophobicContact CD2-CG 4.04Å; W316-R333 HydrophobicContact CE3-CB 4.33Å; W316-R333 HydrophobicContact CE3-CG 3.62Å; W316-R333 HydrophobicContact CG-CG 4.38Å; W316-R333 HydrophobicContact CZ3-CG 4.22Å; W316-R333 WeakPolarHBondContact CZ3-O 3.46Å; W319-R333 HydrophobicContact CD2-CB 3.86Å; W319-R333 HydrophobicContact CD2-CG 3.93Å; W319-R333 VanDerWaalsContact CE2-CD 3.44Å; W319-R333 HydrophobicContact CE3-CB 3.62Å; W319-R333 HydrophobicContact CE3-CG 3.68Å; W319-R333 HydrophobicContact CG-CB 4.44Å; W319-R333 HydrophobicContact CH2-CG 3.7Å; W319-R333 VanDerWaalsContact CZ2-CD 3.42Å; W319-R333 HydrophobicContact CZ2-CG 3.94Å; W319-R333 HydrophobicContact CZ3-CB 4.02Å; W319-R333 HydrophobicContact CZ3-CG 3.57Å; R333-V348 WeakPolarHBondContact O-CA 3.45Å; R333-Q349 HydrophobicContact CG-CB 3.99Å; R333-Q349 PolarHBondContact N-O 2.77Å; R333-Q349 PolarHBondContact O-N 3.1Å
334F90.8Very high81Confident82 Ų8279.6 Ų79.636%0.3641%0.411SS..EExtended strand (participates in β ladder)trans-126.1153.5-170.9-55.3-87.6000111W316 S317 T320 K332 Y347 V348W316-F334 CarbonylContact C-O 3.15Å; W316-F334 WeakPolarHBondContact CA-O 3.24Å; W316-F334 VanDerWaalsContact CE3-C 3.42Å; S317-F334 PolarHBondContact N-O 2.46Å; S317-F334 PolarHBondContact OG-N 3.49Å; T320-F334 HydrophobicContact CG2-CE2 4.16Å; K332-F334 HydrophobicContact CB-CE2 4.16Å; K332-F334 HydrophobicContact CB-CZ 4.02Å; F334-Y347 CarbonylContact C-O 3.09Å; F334-Y347 VanDerWaalsContact CA-O 3.27Å; F334-Y347 WeakPolarHBondContact CA-O 3.32Å; F334-Y347 HydrophobicContact CD1-CD2 4.24Å; F334-Y347 HydrophobicContact CD1-CE2 4.15Å; F334-V348 HydrophobicContact CD1-CB 3.99Å; F334-V348 HydrophobicContact CD1-CG2 3.83Å; F334-V348 HydrophobicContact CE1-CB 4.09Å; F334-V348 HydrophobicContact CE1-CG2 3.54Å; F334-V348 HydrophobicContact CZ-CG2 4.29Å
335R91.3Very high81Confident45 Ų4579.1 Ų79.117%0.1742%0.415CS..  trans-141.5148.6170.962-178.9-178.5170.72.9108.8W313 W316 S346 Y347W313-R335 HydrophobicContact CD2-CG 4.17Å; W313-R335 HydrophobicContact CE3-CB 4.43Å; W313-R335 HydrophobicContact CE3-CG 3.61Å; W313-R335 HydrophobicContact CZ3-CG 4.12Å; W316-R335 HydrophobicContact CD2-CB 4.05Å; W316-R335 HydrophobicContact CD2-CG 4.14Å; W316-R335 HydrophobicContact CE3-CB 3.76Å; W316-R335 HydrophobicContact CE3-CG 3.78Å; W316-R335 HydrophobicContact CH2-CG 3.71Å; W316-R335 HydrophobicContact CZ2-CG 4.08Å; W316-R335 VanDerWaalsContact CZ2-NE 3.33Å; W316-R335 HydrophobicContact CZ3-CB 4.05Å; W316-R335 HydrophobicContact CZ3-CG 3.56Å; R335-S346 VanDerWaalsContact CZ-O 3.26Å; R335-S346 PolarHBondContact NE-O 2.81Å; R335-S346 PolarHBondContact NH2-O 3.36Å; R335-Y347 PolarHBondContact N-O 3.02Å; R335-Y347 WeakPolarHBondContact O-CB 3.08Å
336N85.7Confident81Confident110 Ų11073.5 Ų73.559%0.58840%0.399SS*.  trans-106.4154.8176.9-69.4-23.5000110.1W313 T314W313-N336 CarbonylContact C-O 3.45Å; T314-N336 HydrophobicContact CG2-CB 4.15Å; T314-N336 WeakPolarHBondContact CG2-O 3.07Å; T314-N336 PolarHBondContact N-O 3.29Å; T314-N336 PolarHBondContact OG1-N 3.37Å; T314-N336 PolarHBondContact OG1-O 3.27Å
337C82.7Confident81.2Confident22 Ų2276.9 Ų76.915%0.14941%0.406CS..BIsolated β-bridgetrans-92.8143.8169.7-176.50000108.8W313 L339 C343W313-C337 HydrophobicContact CE3-CB 4.1Å; W313-C337 HydrophobicContact CH2-CB 4.49Å; W313-C337 HydrophobicContact CZ3-CB 3.96Å; C337-L339 WeakPolarHBondContact CB-O 3.35Å; C337-L339 PolarHBondContact O-N 2.84Å; C337-L339 VanDerWaalsContact O-N 3.08Å; C337-L339 PolarHBondContact SG-O 3.26Å; C337-C343 HydrophobicContact CB-CB 3.67Å; C337-C343 WeakPolarHBondContact CB-SG 3.47Å; C337-C343 WeakPolarHBondContact SG-CB 3.14Å; C337-C343 PolarHBondContact SG-N 3.08Å; C337-C343 CovalentContact SG-SG 2.02Å; C337-C343 PolarHBondContact SG-SG 3.31Å
338S78.4Confident81.5Confident86 Ų8677.9 Ų77.960%0.60141%0.409SS*.SBendtrans-56.8-24.2175.3-52.70000113.4Q312Q312-S338 PolarHBondContact O-N 2.79Å; Q312-S338 VanDerWaalsContact O-N 3.14Å; Q312-S338 PolarHBondContact O-OG 2.84Å
339L72.1Confident81.8Confident95 Ų9575.1 Ų75.150%0.49739%0.394SS..SBendtrans-128.4124.5169.4-74.3166.1000109.2L311 C337 N341 R342L311-L339 HydrophobicContact CD2-CB 3.74Å; L311-L339 HydrophobicContact CD2-CD1 3.63Å; L311-L339 HydrophobicContact CD2-CG 4.15Å; C337-L339 WeakPolarHBondContact CB-O 3.35Å; C337-L339 PolarHBondContact O-N 2.84Å; C337-L339 VanDerWaalsContact O-N 3.08Å; C337-L339 PolarHBondContact SG-O 3.26Å; L339-N341 PolarHBondContact O-N 3.5Å; L339-R342 HydrophobicContact CB-CB 4.15Å; L339-R342 HydrophobicContact CB-CG 4.17Å; L339-R342 PolarHBondContact O-N 3.42Å
340P66.8Low81.9Confident106 Ų10678.7 Ų78.769%0.68841%0.414SS*.THydrogen-bonded Turntrans-50.9133.5-177.4-26.333.1000112.6R342P340-R342 PolarHBondContact O-N 2.88Å; P340-R342 VanDerWaalsContact O-N 3.15Å
341N62.1Low81.8Confident150 Ų15078.7 Ų78.780%0.80242%0.416SS*.THydrogen-bonded Turntrans61.515.1174.6-55.5-32.9000117.2L339L339-N341 PolarHBondContact O-N 3.5Å
342R70.3Confident81.7Confident172 Ų17285.5 Ų85.565%0.64945%0.445SS*.THydrogen-bonded Turntrans-103.5-21.4-177.9-68.6-78.2-76.3-128.8-3.8114.2L311 L339 P340L311-R342 HydrophobicContact CD1-CB 3.71Å; L311-R342 WeakPolarHBondContact CD1-O 3.44Å; L311-R342 HydrophobicContact CD2-CB 3.5Å; L311-R342 HydrophobicContact CD2-CG 4.46Å; L311-R342 HydrophobicContact CG-CB 4.22Å; L339-R342 HydrophobicContact CB-CB 4.15Å; L339-R342 HydrophobicContact CB-CG 4.17Å; L339-R342 PolarHBondContact O-N 3.42Å; P340-R342 PolarHBondContact O-N 2.88Å; P340-R342 VanDerWaalsContact O-N 3.15Å
343C78.4Confident81.5Confident18 Ų1883.5 Ų83.512%0.12244%0.439CS..SBendtrans-79.5145.7179.4-66.50000112.4Q312 W313 C337Q312-C343 VanDerWaalsContact C-SG 3.59Å; Q312-C343 PolarHBondContact O-SG 2.83Å; Q312-C343 VanDerWaalsContact O-SG 3.38Å; W313-C343 HydrophobicContact CD2-CB 3.76Å; W313-C343 HydrophobicContact CE3-CB 4.22Å; W313-C343 HydrophobicContact CG-CB 4.36Å; W313-C343 HydrophobicContact CH2-CB 3.84Å; W313-C343 HydrophobicContact CZ2-CB 3.3Å; W313-C343 HydrophobicContact CZ3-CB 4.26Å; C337-C343 HydrophobicContact CB-CB 3.67Å; C337-C343 WeakPolarHBondContact CB-SG 3.47Å; C337-C343 WeakPolarHBondContact SG-CB 3.14Å; C337-C343 PolarHBondContact SG-N 3.08Å; C337-C343 CovalentContact SG-SG 2.02Å; C337-C343 PolarHBondContact SG-SG 3.31Å
344I78Confident81Confident167 Ų16786 Ų8686%0.85645%0.453SS*.SBendtrans-83.2123.9176.2-60.1169.1000109.6W313W313-I344 PolarHBondContact NE1-O 3.03Å
345G80.5Confident80.4Confident36 Ų3682.3 Ų82.337%0.37144%0.439SS..SBendtrans120.2174.2177.300000114.8W313W313-G345 WeakPolarHBondContact CH2-O 3.48Å; W313-G345 WeakPolarHBondContact CZ2-O 3.09Å
346S82.1Confident79.8Confident62 Ų6289.1 Ų89.143%0.43447%0.472SS..  trans-77.1145.4179.2-178.70000112.2R335 V348R335-S346 VanDerWaalsContact CZ-O 3.26Å; R335-S346 PolarHBondContact NE-O 2.81Å; R335-S346 PolarHBondContact NH2-O 3.36Å; S346-V348 PolarHBondContact OG-N 3.25Å; S346-V348 VanDerWaalsContact OG-N 3.11Å; S346-V348 PolarHBondContact OG-O 2.87Å
347Y84.8Confident79.4Confident113 Ų11387.8 Ų87.844%0.44347%0.468SS..SBendtrans-83.7-12.3171.777-87.4000112.8W316 F334 R335W316-Y347 WeakPolarHBondContact CZ3-O 3.41Å; F334-Y347 CarbonylContact C-O 3.09Å; F334-Y347 VanDerWaalsContact CA-O 3.27Å; F334-Y347 WeakPolarHBondContact CA-O 3.32Å; F334-Y347 HydrophobicContact CD1-CD2 4.24Å; F334-Y347 HydrophobicContact CD1-CE2 4.15Å; R335-Y347 PolarHBondContact N-O 3.02Å; R335-Y347 WeakPolarHBondContact O-CB 3.08Å
348V87.8Confident78.9Confident34 Ų3491.6 Ų91.621%0.20649%0.486CS..EExtended strand (participates in β ladder)trans-123.5140.6-179.6640000111.1R333 F334 S346R333-V348 WeakPolarHBondContact O-CA 3.45Å; F334-V348 HydrophobicContact CD1-CB 3.99Å; F334-V348 HydrophobicContact CD1-CG2 3.83Å; F334-V348 HydrophobicContact CE1-CB 4.09Å; F334-V348 HydrophobicContact CE1-CG2 3.54Å; F334-V348 HydrophobicContact CZ-CG2 4.29Å; S346-V348 PolarHBondContact OG-N 3.25Å; S346-V348 VanDerWaalsContact OG-N 3.11Å; S346-V348 PolarHBondContact OG-O 2.87Å
349Q88.2Confident78.4Confident76 Ų7695 Ų9536%0.35549%0.49SS..EExtended strand (participates in β ladder)trans-127.1141.4170.3-171.7176.37.600110W316 W319 K332 R333W316-Q349 HydrophobicContact CE3-CB 4.45Å; W316-Q349 HydrophobicContact CH2-CB 3.63Å; W316-Q349 HydrophobicContact CZ2-CB 4.11Å; W316-Q349 HydrophobicContact CZ3-CB 3.82Å; W319-Q349 HydrophobicContact CH2-CB 4.42Å; W319-Q349 HydrophobicContact CH2-CG 4.05Å; W319-Q349 WeakPolarHBondContact CZ3-O 3.47Å; K332-Q349 CarbonylContact C-O 3.43Å; K332-Q349 WeakPolarHBondContact CA-O 3.39Å; R333-Q349 HydrophobicContact CG-CB 3.99Å; R333-Q349 PolarHBondContact N-O 2.77Å; R333-Q349 PolarHBondContact O-N 3.1Å
350V86.6Confident78Confident80 Ų8093.8 Ų93.849%0.48549%0.489SS..EExtended strand (participates in β ladder)trans-121.3135-178.6-171.70000109.1V330 K332V330-V350 HydrophobicContact CB-CG1 3.93Å; V330-V350 HydrophobicContact CG1-CG1 4.2Å; V330-V350 HydrophobicContact CG2-CG1 4.47Å; K332-V350 HydrophobicContact CD-CG2 4.43Å; K332-V350 HydrophobicContact CG-CG1 4.4Å; K332-V350 HydrophobicContact CG-CG2 4.12Å
351S83.7Confident78Confident47 Ų4797.3 Ų97.333%0.32950%0.497SS..EExtended strand (participates in β ladder)trans-135.5161.4175.8176.30000110.7W319 V330 H331W319-S351 VanDerWaalsContact CH2-CB 3.43Å; V330-S351 VanDerWaalsContact CA-O 3.28Å; V330-S351 WeakPolarHBondContact CA-O 3.47Å; H331-S351 PolarHBondContact CD2-O 2.61Å; H331-S351 PolarHBondContact N-O 3.25Å; H331-S351 VanDerWaalsContact NE2-CB 3.28Å; H331-S351 WeakPolarHBondContact NE2-CB 3.38Å; H331-S351 PolarHBondContact NE2-OG 2.68Å; H331-S351 PolarHBondContact O-N 2.86Å
352K83.1Confident77.4Confident168 Ų16898.1 Ų98.173%0.7350%0.501SS*.EExtended strand (participates in β ladder)trans-79137.6175.8-64.9-179-178178.40110I328 G329 H331I328-K352 HydrophobicContact CG2-CB 4.46Å; G329-K352 WeakPolarHBondContact O-CA 3.35Å; H331-K352 VanDerWaalsContact CD2-C 3.5Å; H331-K352 PolarHBondContact NE2-O 3.13Å; H331-K352 VanDerWaalsContact NE2-O 3.15Å
353C84.2Confident75.9Confident23 Ų2398.6 Ų98.616%0.15551%0.511CS..EExtended strand (participates in β ladder)trans-126162.7170.949.60000109.9C322 I328 G329 V330 H331C322-C353 WeakPolarHBondContact CA-SG 3.23Å; C322-C353 HydrophobicContact CB-CB 3.78Å; C322-C353 WeakPolarHBondContact CB-SG 3.4Å; C322-C353 WeakPolarHBondContact SG-CB 3.47Å; C322-C353 CovalentContact SG-SG 2.03Å; C322-C353 PolarHBondContact SG-SG 3.07Å; I328-C353 CarbonylContact C-O 3.38Å; I328-C353 WeakPolarHBondContact CA-O 3.05Å; G329-C353 PolarHBondContact N-O 3.05Å; G329-C353 PolarHBondContact O-N 2.83Å; V330-C353 VanDerWaalsContact CA-SG 3.59Å; V330-C353 PolarHBondContact N-SG 3.29Å; V330-C353 VanDerWaalsContact N-SG 3.41Å; H331-C353 HydrophobicContact CB-CB 4.37Å; H331-C353 WeakPolarHBondContact CD2-CB 3.43Å
354Q82.9Confident74.1Confident113 Ų113106.8 Ų106.853%0.52855%0.547SS..EExtended strand (participates in β ladder)trans-104.9135.5169.8-159.8179.1-69.900108.4G327 L358G327-Q354 WeakPolarHBondContact O-CA 3.41Å; Q354-L358 VanDerWaalsContact CD-CD2 3.45Å; Q354-L358 HydrophobicContact CG-CD2 4.47Å
355G78.1Confident72Confident5 Ų5106 Ų1065%0.05254%0.543CS..  trans-62.5169.2168.900000111.3V324 K325 G327 V357V324-G355 WeakPolarHBondContact O-CA 3.42Å; K325-G355 CarbonylContact O-C 3.6Å; K325-G355 WeakPolarHBondContact O-CA 3.22Å; G327-G355 PolarHBondContact O-N 3.14Å; G355-V357 PolarHBondContact O-N 2.99Å
356H79Confident69.9Low188 Ų188110.9 Ų110.987%0.8756%0.561SS**SBendtrans-56.3-31.8175.7-73.3-98.1000112.6K325K325-H356 PolarHBondContact O-N 3.01Å
357V76.6Confident68.1Low83 Ų83116.6 Ų116.650%0.50358%0.58SS.*BIsolated β-bridgetrans-110.6129.3179.2-168.60000110K325 C326 G327 G355 F359K325-V357 PolarHBondContact O-N 2.03Å; K325-V357 VanDerWaalsContact O-N 3.16Å; C326-V357 CarbonylContact C-O 3.21Å; C326-V357 WeakPolarHBondContact CA-O 3.3Å; C326-V357 HydrophobicContact CB-CB 3.88Å; G327-V357 PolarHBondContact N-O 3.19Å; G355-V357 PolarHBondContact O-N 2.99Å; V357-F359 VanDerWaalsContact C-N 3.32Å; V357-F359 WeakPolarHBondContact CG1-O 3.24Å; V357-F359 PolarHBondContact O-N 3.29Å
358L73.3Confident65.9Low102 Ų102121 Ų12153%0.53460%0.602SS.*SBendtrans-65-33.7-179.3-86.7141.9000113.6Q354Q354-L358 VanDerWaalsContact CD-CD2 3.45Å; Q354-L358 HydrophobicContact CG-CD2 4.47Å
359F67.4Low63.5Low156 Ų156126.7 Ų126.768%0.68463%0.63SS**SBendtrans-124.4129.4-174-58.3-80000109.3V357V357-F359 VanDerWaalsContact C-N 3.32Å; V357-F359 WeakPolarHBondContact CG1-O 3.24Å; V357-F359 PolarHBondContact O-N 3.29Å
360C63.9Low61.1Low71 Ų71130.6 Ų130.648%0.4865%0.648SS.*  trans-83.2111.6169.1-58.10000107.3C326C326-C360 HydrophobicContact CB-CB 4.07Å; C326-C360 WeakPolarHBondContact CB-SG 3.13Å; C326-C360 PolarHBondContact O-SG 3.09Å; C326-C360 WeakPolarHBondContact SG-CB 3.23Å; C326-C360 CovalentContact SG-SG 2.04Å; C326-C360 PolarHBondContact SG-SG 2.99Å
361E67.1Low58.7Low180 Ų180132.5 Ų132.584%0.84167%0.665SS**  trans-77.7139.6172.8-76.6178.3172.400110.4E363E361-E363 PolarHBondContact O-N 2.87Å; E361-E363 VanDerWaalsContact O-N 3.11Å
362N48.9Very low56.5Low166 Ų166132.6 Ų132.689%0.88867%0.673SS**  trans-8182.9-172.7-66.2-32000110.5
363E40.4Very low54.4Low183 Ų183126.5 Ų126.586%0.85565%0.652SS**  trans-108.4115.2163.6-72.6-169165.300110.2E361E361-E363 PolarHBondContact O-N 2.87Å; E361-E363 VanDerWaalsContact O-N 3.11Å
364E39.2Very low52.1Low189 Ų189133.4 Ų133.488%0.88368%0.679SS**  trans22113.8168.7-61.5-175.9165.400118.4N366E364-N366 PolarHBondContact O-N 3.38Å
365I35.4Very low49.8Very low150 Ų150132 Ų13277%0.76968%0.675SS**  trans-60.390.3-177.2-56.4164000110.2E367I365-E367 PolarHBondContact O-N 2.96Å
366N34.6Very low47.8Very low140 Ų140136.6 Ų136.675%0.74970%0.697SS**  trans-78.8105.8150.7-85.6-37.3000107.2E364 F368 I369E364-N366 PolarHBondContact O-N 3.38Å; N366-F368 PolarHBondContact O-N 2.92Å; N366-I369 PolarHBondContact O-N 3.23Å
367E45.8Very low45.7Very low181 Ų181137.3 Ų137.385%0.84670%0.698SS**THydrogen-bonded Turntrans-57.41.9-174.8-144.1171.7-167.500114.7I365I365-E367 PolarHBondContact O-N 2.96Å
368F38.7Very low43.8Very low206 Ų206136.7 Ų136.790%0.90470%0.697SS**THydrogen-bonded Turntrans-93-11.9-179.3-123.9-91.8000115.2N366N366-F368 PolarHBondContact O-N 2.92Å
369I36.4Very low41.7Very low153 Ų153139.7 Ų139.779%0.78570%0.701SS**  trans-113.43.4-175.4-56.2-179.3000113.9N366 S371N366-I369 PolarHBondContact O-N 3.23Å; I369-S371 PolarHBondContact O-N 2.53Å
370Q37.6Very low40.2Very low159 Ų159136.1 Ų136.174%0.74369%0.686SS**  trans-74.474160.3-76.1-168-1.400111G372Q370-G372 PolarHBondContact O-N 3.48Å; Q370-G372 VanDerWaalsContact O-N 3.13Å
371S37.1Very low39.1Very low119 Ų119135.4 Ų135.483%0.83269%0.691SS**  trans-75.530.8149.2-161.30000110.6I369I369-S371 PolarHBondContact O-N 2.53Å
372G37.4Very low38Very low49 Ų49128.8 Ų128.851%0.50566%0.663SS.*SBendtrans-95.794.4168.100000106.7Q370 K374Q370-G372 PolarHBondContact O-N 3.48Å; Q370-G372 VanDerWaalsContact O-N 3.13Å; G372-K374 PolarHBondContact O-N 3.22Å
373S38.2Very low37.6Very low41 Ų41125.7 Ų125.729%0.28764%0.643SS.*  trans-50.6110.5176.343.90000111I375 Y385S373-I375 PolarHBondContact O-N 3.28Å; S373-Y385 WeakPolarHBondContact OG-CD1 3.21Å
374K36Very low37.8Very low167 Ų167121.3 Ų121.373%0.72662%0.619SS**  trans-57.6119171.9-173173.8-176172.80108.9G372 I376G372-K374 PolarHBondContact O-N 3.22Å; K374-I376 PolarHBondContact O-N 3.43Å; K374-I376 VanDerWaalsContact O-N 3.16Å
375I35.4Very low38.3Very low85 Ų85115.5 Ų115.544%0.43659%0.589SS.*BIsolated β-bridgetrans-67.9111173.6-57.8170.6000107S373 Y385S373-I375 PolarHBondContact O-N 3.28Å; I375-Y385 HydrophobicContact CG1-CE1 4.4Å
376I34.6Very low38.5Very low101 Ų101112.8 Ų112.852%0.51858%0.576SS.*  trans-68.4133.8167.3-45.7176.3000106.4K374 S378 L386K374-I376 PolarHBondContact O-N 3.43Å; K374-I376 VanDerWaalsContact O-N 3.16Å; I376-S378 PolarHBondContact O-N 3.24Å; I376-S378 VanDerWaalsContact O-N 3.15Å; I376-L386 HydrophobicContact CD1-CD1 3.48Å; I376-L386 VanDerWaalsContact CD1-CD1 3.48Å; I376-L386 HydrophobicContact CG1-CD1 3.92Å
377K35.6Very low39Very low203 Ų203113 Ų11388%0.88357%0.572SS**  trans-29.8117.3-175.9-77.3-178.3175178.60112.6W379K377-W379 PolarHBondContact O-N 2.87Å; K377-W379 VanDerWaalsContact O-N 3.16Å
378S36Very low39.4Very low69 Ų69107.5 Ų107.548%0.48355%0.547SS..  trans-58.2114.3173.3132.30000109.4I376 G381I376-S378 PolarHBondContact O-N 3.24Å; I376-S378 VanDerWaalsContact O-N 3.15Å; S378-G381 PolarHBondContact OG-N 3.19Å
379W29.2Very low40Very low166 Ų166102.7 Ų102.763%0.62953%0.53SS*.SBendtrans-95115.8157.4-158.265.7000107.4K377 G381 N417K377-W379 PolarHBondContact O-N 2.87Å; K377-W379 VanDerWaalsContact O-N 3.16Å; W379-G381 PolarHBondContact O-N 3.21Å; W379-N417 WeakPolarHBondContact CH2-ND2 3.43Å
380Q36.6Very low41.1Very low80 Ų8096.5 Ų96.537%0.37450%0.497SS..THydrogen-bonded Turntrans53.243.5179.2-59.8-176.3-11.900115.6T382Q380-T382 PolarHBondContact O-N 3.31Å
381G40.4Very low41.8Very low56 Ų5690.6 Ų90.658%0.57747%0.472SS*.THydrogen-bonded Turntrans84.3-5.2161.100000116.7S378 W379 Q383S378-G381 PolarHBondContact OG-N 3.19Å; W379-G381 PolarHBondContact O-N 3.21Å; G381-Q383 PolarHBondContact O-N 3.43Å
382T44.4Very low42.5Very low42 Ų4285.5 Ų85.526%0.25844%0.435SS..  trans-80.5113.7171.653.40000110.2Q380 W384Q380-T382 PolarHBondContact O-N 3.31Å; T382-W384 PolarHBondContact OG1-NE1 3.35Å; T382-W384 VanDerWaalsContact OG1-NE1 3.08Å
383Q41.6Very low43.1Very low100 Ų10085.5 Ų85.547%0.46742%0.424SS..  trans-87.3113175.1-66.9-179-33.200109.1G381G381-Q383 PolarHBondContact O-N 3.43Å
384W44.6Very low43.8Very low92 Ų9286.3 Ų86.335%0.34842%0.423SS..  trans-104.1131.7173.4-57.989.4000108.7T382 Y390 T395T382-W384 PolarHBondContact OG1-NE1 3.35Å; T382-W384 VanDerWaalsContact OG1-NE1 3.08Å; W384-Y390 AromaticContact CE3-CD2 3.74Å; W384-Y390 HydrophobicContact CE3-CD2 3.74Å; W384-Y390 AromaticContact CE3-CE2 3.55Å; W384-Y390 HydrophobicContact CE3-CE2 3.55Å; W384-Y390 AromaticContact CZ3-CD2 3.64Å; W384-Y390 HydrophobicContact CZ3-CD2 3.64Å; W384-Y390 AromaticContact CZ3-CE2 3.87Å; W384-Y390 HydrophobicContact CZ3-CE2 3.87Å; W384-Y390 HydrophobicContact CZ3-CG 4.3Å; W384-T395 HydrophobicContact CH2-CG2 3.81Å; W384-T395 HydrophobicContact CZ3-CG2 3.91Å
385Y49.3Very low44.6Very low66 Ų6679 Ų7926%0.25939%0.392SS..BIsolated β-bridgetrans-95.5131.7177-63.1-62.8000109.1S373 I375 H387 E388S373-Y385 WeakPolarHBondContact OG-CD1 3.21Å; I375-Y385 HydrophobicContact CG1-CE1 4.4Å; Y385-H387 PolarHBondContact O-N 3.28Å; Y385-E388 WeakPolarHBondContact CD2-OE2 3.23Å; Y385-E388 PolarHBondContact O-N 3.42Å
386L39.7Very low45.5Very low93 Ų9379.4 Ų79.449%0.48739%0.389SS..THydrogen-bonded Turntrans-56.5-10.4-173.1-166.872000114.9I376I376-L386 HydrophobicContact CD1-CD1 3.48Å; I376-L386 VanDerWaalsContact CD1-CD1 3.48Å; I376-L386 HydrophobicContact CG1-CD1 3.92Å
387H44.9Very low46.2Very low144 Ų14482.1 Ų82.167%0.66739%0.394SS*.THydrogen-bonded Turntrans-128.611.2-176-56.3-55.5000114.8Y385Y385-H387 PolarHBondContact O-N 3.28Å
388E53.5Low46.9Very low67 Ų6776.2 Ų76.231%0.31337%0.368SS..  trans-94.4111.5175.1-71.2-165149.200111.1K332 Y385 Y390K332-E388 IonicContact NZ-OE1 2.96Å; K332-E388 PolarHBondContact NZ-OE1 2.95Å; Y385-E388 WeakPolarHBondContact CD2-OE2 3.23Å; Y385-E388 PolarHBondContact O-N 3.42Å; E388-Y390 HydrophobicContact CB-CD2 4.18Å; E388-Y390 HydrophobicContact CB-CE1 4.26Å; E388-Y390 HydrophobicContact CB-CE2 3.66Å; E388-Y390 WeakPolarHBondContact O-CD2 3.03Å; E388-Y390 PolarHBondContact O-N 3.03Å; E388-Y390 VanDerWaalsContact O-N 3.16Å; E388-Y390 WeakPolarHBondContact OE2-CE1 3.48Å; E388-Y390 PolarHBondContact OE2-OH 3.46Å
389N51.2Low47.7Very low105 Ų10574.9 Ų74.956%0.56136%0.359SS*.  trans-77.688.8168.3-79.5-12.3000109.2N438N389-N438 PolarHBondContact OD1-ND2 2.97Å
390Y59.3Low48.4Very low22 Ų2269.5 Ų69.59%0.08634%0.342CS..  trans-73.1146.8174.2-60.3-80.3000111.5W384 E388 E394 K398 I437W384-Y390 AromaticContact CE3-CD2 3.74Å; W384-Y390 HydrophobicContact CE3-CD2 3.74Å; W384-Y390 AromaticContact CE3-CE2 3.55Å; W384-Y390 HydrophobicContact CE3-CE2 3.55Å; W384-Y390 AromaticContact CZ3-CD2 3.64Å; W384-Y390 HydrophobicContact CZ3-CD2 3.64Å; W384-Y390 AromaticContact CZ3-CE2 3.87Å; W384-Y390 HydrophobicContact CZ3-CE2 3.87Å; W384-Y390 HydrophobicContact CZ3-CG 4.3Å; E388-Y390 HydrophobicContact CB-CD2 4.18Å; E388-Y390 HydrophobicContact CB-CE1 4.26Å; E388-Y390 HydrophobicContact CB-CE2 3.66Å; E388-Y390 WeakPolarHBondContact O-CD2 3.03Å; E388-Y390 PolarHBondContact O-N 3.03Å; E388-Y390 VanDerWaalsContact O-N 3.16Å; E388-Y390 WeakPolarHBondContact OE2-CE1 3.48Å; E388-Y390 PolarHBondContact OE2-OH 3.46Å; Y390-E394 WeakPolarHBondContact CA-OE2 3Å; Y390-E394 HydrophobicContact CD1-CB 4.19Å; Y390-K398 PolarHBondContact OH-NZ 3.38Å; Y390-I437 WeakPolarHBondContact O-CG1 3.44Å; Y390-I437 PolarHBondContact O-N 3.43Å
391T52.9Low48.9Very low35 Ų3568.6 Ų68.622%0.21535%0.345CS..BIsolated β-bridgetrans-80.2158.7167.458.70000110.7N393 E394 T395T391-N393 PolarHBondContact O-N 3.35Å; T391-E394 PolarHBondContact N-OE2 3.43Å; T391-E394 PolarHBondContact O-N 3.15Å; T391-E394 WeakPolarHBondContact OG1-CG 3.48Å; T391-E394 PolarHBondContact OG1-OE2 3.37Å; T391-E394 VanDerWaalsContact OG1-OE2 3.08Å; T391-T395 PolarHBondContact O-N 3.49Å; T391-T395 VanDerWaalsContact O-N 3.14Å
392L51.9Low49.2Very low12 Ų1269.9 Ų69.96%0.06333%0.333CS..Hα-helixtrans-56.3-34.5177.3-170.377.6000112.8T395 Y396 L423 I426 Y433 L440L392-T395 WeakPolarHBondContact CA-OG1 3.33Å; L392-T395 PolarHBondContact O-N 3.35Å; L392-T395 PolarHBondContact O-OG1 2.91Å; L392-Y396 VanDerWaalsContact O-CB 3.31Å; L392-Y396 WeakPolarHBondContact O-CB 3.39Å; L392-Y396 PolarHBondContact O-N 3.25Å; L392-L423 HydrophobicContact CD1-CD2 3.79Å; L392-I426 HydrophobicContact CD1-CD1 4.23Å; L392-I426 HydrophobicContact CD1-CG2 4.01Å; L392-I426 HydrophobicContact CD2-CB 4.49Å; L392-I426 HydrophobicContact CD2-CG2 3.36Å; L392-I426 HydrophobicContact CG-CG2 4.34Å; L392-Y433 HydrophobicContact CD2-CD1 4.43Å; L392-L440 HydrophobicContact CB-CD1 4.29Å; L392-L440 HydrophobicContact CD1-CD1 3.88Å
393N50.8Low49.1Very low50 Ų5072 Ų7227%0.26734%0.342SS..Hα-helixtrans-63.8-42.8175.8-87.9-20.4000112.2T391 Y396 Y397 Y433T391-N393 PolarHBondContact O-N 3.35Å; N393-Y396 PolarHBondContact O-N 2.7Å; N393-Y397 WeakPolarHBondContact O-CB 3.04Å; N393-Y397 WeakPolarHBondContact O-CD2 3.47Å; N393-Y397 PolarHBondContact O-N 3.46Å; N393-Y433 WeakPolarHBondContact OD1-CD1 3.39Å
394E52.2Low48.9Very low57 Ų5771.1 Ų71.127%0.26634%0.343SS..Hα-helixtrans-66.8-39.6179.7-70168.8142.500111.1Y390 T391 K398Y390-E394 WeakPolarHBondContact CA-OE2 3Å; Y390-E394 HydrophobicContact CD1-CB 4.19Å; T391-E394 PolarHBondContact N-OE2 3.43Å; T391-E394 PolarHBondContact O-N 3.15Å; T391-E394 WeakPolarHBondContact OG1-CG 3.48Å; T391-E394 PolarHBondContact OG1-OE2 3.37Å; T391-E394 VanDerWaalsContact OG1-OE2 3.08Å; E394-K398 VanDerWaalsContact O-CB 3.27Å; E394-K398 WeakPolarHBondContact O-CB 3.46Å; E394-K398 PolarHBondContact O-N 2.87Å
395T52.9Low48.7Very low13 Ų1373 Ų738%0.0836%0.356CS..Hα-helixtrans-67.2-4317657.20000112.4W384 T391 L392 K398 S399 I437W384-T395 HydrophobicContact CH2-CG2 3.81Å; W384-T395 HydrophobicContact CZ3-CG2 3.91Å; T391-T395 PolarHBondContact O-N 3.49Å; T391-T395 VanDerWaalsContact O-N 3.14Å; L392-T395 WeakPolarHBondContact CA-OG1 3.33Å; L392-T395 PolarHBondContact O-N 3.35Å; L392-T395 PolarHBondContact O-OG1 2.91Å; T395-K398 PolarHBondContact O-N 2.74Å; T395-S399 WeakPolarHBondContact O-CB 3.36Å; T395-S399 PolarHBondContact O-N 3.4Å; T395-S399 PolarHBondContact O-OG 2.89Å; T395-I437 HydrophobicContact CG2-CD1 3.6Å; T395-I437 HydrophobicContact CG2-CG1 4.17Å
396Y53.1Low47.9Very low94 Ų9473.1 Ų73.137%0.36936%0.358SS..Hα-helixtrans-64.6-45.3178-177.7-99.8000112.5L392 N393 K398 S399 N400 I427L392-Y396 VanDerWaalsContact O-CB 3.31Å; L392-Y396 WeakPolarHBondContact O-CB 3.39Å; L392-Y396 PolarHBondContact O-N 3.25Å; N393-Y396 PolarHBondContact O-N 2.7Å; Y396-K398 VanDerWaalsContact C-N 3.34Å; Y396-K398 PolarHBondContact O-N 3.19Å; Y396-S399 PolarHBondContact O-N 3.4Å; Y396-S399 PolarHBondContact O-OG 3.26Å; Y396-N400 WeakPolarHBondContact CE1-ND2 3.2Å; Y396-N400 WeakPolarHBondContact O-CB 3.32Å; Y396-N400 PolarHBondContact O-N 3.08Å; Y396-N400 PolarHBondContact OH-ND2 3.47Å; Y396-I427 HydrophobicContact CD2-CD1 3.8Å; Y396-I427 HydrophobicContact CE2-CD1 3.51Å
397Y50.8Low47.5Very low159 Ų15976.1 Ų76.162%0.62437%0.371SS*.Hα-helixtrans-63.9-40175.7-93.3-79.5000111.8N393 S401N393-Y397 WeakPolarHBondContact O-CB 3.04Å; N393-Y397 WeakPolarHBondContact O-CD2 3.47Å; N393-Y397 PolarHBondContact O-N 3.46Å; Y397-S401 VanDerWaalsContact O-CB 3.23Å; Y397-S401 WeakPolarHBondContact O-CB 3.03Å; Y397-S401 PolarHBondContact O-N 3.35Å; Y397-S401 PolarHBondContact O-OG 2.03Å
398K50.4Low47Very low78 Ų7877.6 Ų77.634%0.33938%0.376SS..Hα-helixtrans-68.4-39.4179.6-141.6171.1-171.2-176.50111.3Y390 E394 T395 Y396 S401Y390-K398 PolarHBondContact OH-NZ 3.38Å; E394-K398 VanDerWaalsContact O-CB 3.27Å; E394-K398 WeakPolarHBondContact O-CB 3.46Å; E394-K398 PolarHBondContact O-N 2.87Å; T395-K398 PolarHBondContact O-N 2.74Å; Y396-K398 VanDerWaalsContact C-N 3.34Å; Y396-K398 PolarHBondContact O-N 3.19Å; K398-S401 PolarHBondContact O-OG 3.33Å
399S51.7Low46.1Very low41 Ų4180.5 Ų80.529%0.28739%0.394SS..Hα-helixtrans-67.6-46.3174.670.20000112.2T395 Y396 Y402 I403T395-S399 WeakPolarHBondContact O-CB 3.36Å; T395-S399 PolarHBondContact O-N 3.4Å; T395-S399 PolarHBondContact O-OG 2.89Å; Y396-S399 PolarHBondContact O-N 3.4Å; Y396-S399 PolarHBondContact O-OG 3.26Å; S399-Y402 PolarHBondContact O-N 3.46Å; S399-Y402 VanDerWaalsContact O-N 3.16Å; S399-I403 WeakPolarHBondContact O-CG1 3.42Å; S399-I403 PolarHBondContact O-N 2.82Å
400N44.2Very low45Very low53 Ų5379.6 Ų79.628%0.28340%0.396SS..Hα-helixtrans-67.6-37179.3-90.3-2.1000113.1Y396 Y402 I403 T404Y396-N400 WeakPolarHBondContact CE1-ND2 3.2Å; Y396-N400 WeakPolarHBondContact O-CB 3.32Å; Y396-N400 PolarHBondContact O-N 3.08Å; Y396-N400 PolarHBondContact OH-ND2 3.47Å; N400-Y402 PolarHBondContact O-N 2.87Å; N400-Y402 VanDerWaalsContact O-N 3.17Å; N400-I403 PolarHBondContact O-N 2.67Å; N400-I403 VanDerWaalsContact O-N 3.14Å; N400-T404 PolarHBondContact O-N 2.85Å; N400-T404 PolarHBondContact O-OG1 2.04Å
401S46.7Very low43.5Very low61 Ų6185.1 Ų85.143%0.42743%0.432SS..Hα-helixtrans-60.7-24.1174.977.60000112.6Y397 K398 T404 Q405Y397-S401 VanDerWaalsContact O-CB 3.23Å; Y397-S401 WeakPolarHBondContact O-CB 3.03Å; Y397-S401 PolarHBondContact O-N 3.35Å; Y397-S401 PolarHBondContact O-OG 2.03Å; K398-S401 PolarHBondContact O-OG 3.33Å; S401-T404 PolarHBondContact O-OG1 3.09Å; S401-Q405 WeakPolarHBondContact O-CG 3.16Å
402Y46.6Very low42.2Very low84 Ų8490 Ų9033%0.32945%0.452SS..Hα-helixtrans-88.7-35.4174.3-172.9-105.6000112.5S399 N400 T404 Q405 K406S399-Y402 PolarHBondContact O-N 3.46Å; S399-Y402 VanDerWaalsContact O-N 3.16Å; N400-Y402 PolarHBondContact O-N 2.87Å; N400-Y402 VanDerWaalsContact O-N 3.17Å; Y402-T404 PolarHBondContact O-N 2.04Å; Y402-Q405 PolarHBondContact O-N 3.28Å; Y402-Q405 VanDerWaalsContact O-N 3.13Å; Y402-K406 HydrophobicContact CE1-CD 4.12Å; Y402-K406 PolarHBondContact O-N 2.9Å
403I41.9Very low41Very low85 Ų8597.8 Ų97.844%0.43649%0.493SS..Hα-helixtrans-57.7-41.6171.4-67.9170.1000110.1S399 N400 Q405 K406 M407S399-I403 WeakPolarHBondContact O-CG1 3.42Å; S399-I403 PolarHBondContact O-N 2.82Å; N400-I403 PolarHBondContact O-N 2.67Å; N400-I403 VanDerWaalsContact O-N 3.14Å; I403-Q405 PolarHBondContact O-N 3.16Å; I403-K406 PolarHBondContact O-N 3.37Å; I403-M407 HydrophobicContact CG2-CE 4.16Å; I403-M407 WeakPolarHBondContact O-CG 3.06Å; I403-M407 PolarHBondContact O-N 3.37Å
404T39.1Very low40.2Very low82 Ų82101.3 Ų101.350%0.50351%0.507SS..Hα-helixtrans-67.6-34.3176.454.40000112.7N400 S401 Y402N400-T404 PolarHBondContact O-N 2.85Å; N400-T404 PolarHBondContact O-OG1 2.04Å; S401-T404 PolarHBondContact O-OG1 3.09Å; Y402-T404 PolarHBondContact O-N 2.04Å
405Q39.4Very low39.3Very low133 Ų133104 Ų10462%0.62153%0.527SS*.Hα-helixtrans-72.9-33.8174.5-77.4-178.1-5.900113.4S401 Y402 I403 F408S401-Q405 WeakPolarHBondContact O-CG 3.16Å; Y402-Q405 PolarHBondContact O-N 3.28Å; Y402-Q405 VanDerWaalsContact O-N 3.13Å; I403-Q405 PolarHBondContact O-N 3.16Å; Q405-F408 PolarHBondContact O-N 3.35Å
406K33.8Very low38.5Very low67 Ų67108.6 Ų108.629%0.29156%0.558SS.*Hα-helixtrans-82.2-23.4178.5-153.1179.1-177.2-172.80113.1Y402 I403 F408 N409Y402-K406 HydrophobicContact CE1-CD 4.12Å; Y402-K406 PolarHBondContact O-N 2.9Å; I403-K406 PolarHBondContact O-N 3.37Å; K406-F408 PolarHBondContact O-N 2.89Å; K406-N409 WeakPolarHBondContact CG-O 3.45Å; K406-N409 CarbonylContact O-C 3.52Å; K406-N409 PolarHBondContact O-N 2.03Å; K406-N409 VanDerWaalsContact O-O 3.13Å
407M29.7Very low37.9Very low156 Ų156108.3 Ų108.377%0.76856%0.563SS**Hα-helixtrans-58.5-25.7164.9-82.7-170.4-175.800112.1I403I403-M407 HydrophobicContact CG2-CE 4.16Å; I403-M407 WeakPolarHBondContact O-CG 3.06Å; I403-M407 PolarHBondContact O-N 3.37Å
408F34.8Very low37.8Very low176 Ų176107 Ų10777%0.77257%0.565SS**THydrogen-bonded Turntrans-84.5-14.8173-87.7-82.2000114.1Q405 K406Q405-F408 PolarHBondContact O-N 3.35Å; K406-F408 PolarHBondContact O-N 2.89Å
409N34.7Very low37.7Very low128 Ų128109.3 Ų109.368%0.68458%0.58SS**SBendtrans-149.8105.2-178.3-77.4-44.5000112.7K406K406-N409 WeakPolarHBondContact CG-O 3.45Å; K406-N409 CarbonylContact O-C 3.52Å; K406-N409 PolarHBondContact O-N 2.03Å; K406-N409 VanDerWaalsContact O-O 3.13Å
410S27.8Very low37.6Very low86 Ų86110.4 Ų110.460%0.60159%0.587SS**  trans99.4114157.4-160.30000118.2H412S410-H412 PolarHBondContact O-N 3.4Å
411T27.3Very low38Very low137 Ų137110.1 Ų110.184%0.8459%0.59SS**  trans-61.699.6160.8470000110.5
412H26.7Very low38.4Very low139 Ų139109.8 Ų109.864%0.64458%0.583SS**  trans-147.2113.1159.1-110.6-82.7000109.7S410 H414S410-H412 PolarHBondContact O-N 3.4Å; H412-H414 PolarHBondContact O-N 3.39Å
413L27Very low38.7Very low174 Ų174108.2 Ų108.291%0.91158%0.579SS**  trans-51.7122.7166-81.789.8000108.8
414H33.7Very low39.4Very low125 Ų125109.9 Ų109.958%0.57959%0.585SS**  trans-125.5120.7165.2-87.6-76.5000109.8H412H412-H414 PolarHBondContact O-N 3.39Å
415T32.1Very low40.1Very low112 Ų112113.7 Ų113.769%0.68759%0.591SS**  trans-53.2144.3175.944.30000112.1N417T415-N417 PolarHBondContact O-N 2.94Å
416P37.5Very low41Very low111 Ų111108.4 Ų108.472%0.72157%0.566SS**  trans-65.6107.7-172.525.2-31.8000110.5
417N40.3Very low42Very low88 Ų88108 Ų10847%0.47157%0.567SS.*  trans-75.2141.9167.1-84.5-17.7000109.3W379 T415 I419 S420W379-N417 WeakPolarHBondContact CH2-ND2 3.43Å; T415-N417 PolarHBondContact O-N 2.94Å; N417-I419 PolarHBondContact O-N 2.95Å; N417-S420 WeakPolarHBondContact O-CB 3.05Å; N417-S420 PolarHBondContact O-N 2.85Å
418I48.3Very low43.3Very low132 Ų132105.9 Ų105.968%0.67756%0.558SS**Hα-helixtrans-46.1-33.2-176-66.9164.8000113.5S420 S421 I422I418-S420 VanDerWaalsContact C-N 3.35Å; I418-S420 PolarHBondContact O-N 3.5Å; I418-S421 PolarHBondContact O-N 3.33Å; I418-I422 HydrophobicContact CG2-CD1 3.97Å; I418-I422 WeakPolarHBondContact O-CG1 3.38Å; I418-I422 PolarHBondContact O-N 3.33Å
419I48.7Very low44.6Very low125 Ų125102.3 Ų102.364%0.64155%0.546SS*.Hα-helixtrans-64.2-36.7-179.9-58.5175000112.1N417 I422 L423N417-I419 PolarHBondContact O-N 2.95Å; I419-I422 PolarHBondContact O-N 3.35Å; I419-L423 HydrophobicContact CG2-CD1 4.46Å; I419-L423 PolarHBondContact O-N 2.91Å
420S49.3Very low45.7Very low64 Ų64103.8 Ų103.845%0.44855%0.549SS..Hα-helixtrans-65.9-41.9177.8-168.90000111.2N417 I418 I422 L423 E424N417-S420 WeakPolarHBondContact O-CB 3.05Å; N417-S420 PolarHBondContact O-N 2.85Å; I418-S420 VanDerWaalsContact C-N 3.35Å; I418-S420 PolarHBondContact O-N 3.5Å; S420-I422 VanDerWaalsContact C-N 3.34Å; S420-I422 PolarHBondContact O-N 2.9Å; S420-L423 PolarHBondContact O-N 3.41Å; S420-E424 PolarHBondContact O-N 3.37Å; S420-E424 VanDerWaalsContact O-N 3.12Å
421S53.3Low47.1Very low47 Ų47102.8 Ų102.833%0.32953%0.534SS..Hα-helixtrans-63.9-41178.9-50.90000111.2I418 L423 E424 W425I418-S421 PolarHBondContact O-N 3.33Å; S421-L423 PolarHBondContact O-N 3.25Å; S421-E424 PolarHBondContact O-N 3.33Å; S421-W425 PolarHBondContact O-N 3.18Å; S421-W425 VanDerWaalsContact O-N 3.13Å
422I53.6Low48.6Very low55 Ų55101.4 Ų101.428%0.28252%0.521SS..Hα-helixtrans-60.5-44.5177.4-66166.3000111I418 I419 S420 W425 I426I418-I422 HydrophobicContact CG2-CD1 3.97Å; I418-I422 WeakPolarHBondContact O-CG1 3.38Å; I418-I422 PolarHBondContact O-N 3.33Å; I419-I422 PolarHBondContact O-N 3.35Å; S420-I422 VanDerWaalsContact C-N 3.34Å; S420-I422 PolarHBondContact O-N 2.9Å; I422-W425 PolarHBondContact O-N 3.4Å; I422-I426 HydrophobicContact CG2-CD1 3.81Å; I422-I426 WeakPolarHBondContact O-CD1 3.4Å; I422-I426 VanDerWaalsContact O-CG1 3.23Å; I422-I426 WeakPolarHBondContact O-CG1 3.32Å; I422-I426 PolarHBondContact O-N 2.87Å
423L54.5Low50.3Low50 Ų5099.3 Ų99.326%0.26251%0.508SS..Hα-helixtrans-66.9-37.2-179.7-72.7167.8000113L392 I419 S420 S421 I426 I427L392-L423 HydrophobicContact CD1-CD2 3.79Å; I419-L423 HydrophobicContact CG2-CD1 4.46Å; I419-L423 PolarHBondContact O-N 2.91Å; S420-L423 PolarHBondContact O-N 3.41Å; S421-L423 PolarHBondContact O-N 3.25Å; L423-I426 PolarHBondContact O-N 3.38Å; L423-I427 WeakPolarHBondContact O-CG1 3.41Å; L423-I427 PolarHBondContact O-N 3.16Å
424E56.9Low51.6Low120 Ų12096.8 Ų96.856%0.56149%0.492SS*.Hα-helixtrans-64.2-44.7175.3-78.9179.5162.900112.2S420 S421 I426 I427 I428S420-E424 PolarHBondContact O-N 3.37Å; S420-E424 VanDerWaalsContact O-N 3.12Å; S421-E424 PolarHBondContact O-N 3.33Å; E424-I426 VanDerWaalsContact C-N 3.31Å; E424-I426 PolarHBondContact O-N 2.9Å; E424-I427 PolarHBondContact O-N 3.49Å; E424-I428 WeakPolarHBondContact O-CG1 3.49Å; E424-I428 PolarHBondContact O-N 3.43Å; E424-I428 VanDerWaalsContact O-N 3.09Å
425W53.9Low53.1Low162 Ų16295.2 Ų95.261%0.61448%0.481SS*.Hα-helixtrans-64.5-34.5178.5-79.5106.7000112.8S421 I422 I427 I428 L429S421-W425 PolarHBondContact O-N 3.18Å; S421-W425 VanDerWaalsContact O-N 3.13Å; I422-W425 PolarHBondContact O-N 3.4Å; W425-I427 VanDerWaalsContact C-N 3.34Å; W425-I427 PolarHBondContact O-N 2.96Å; W425-I428 PolarHBondContact O-N 2.93Å; W425-L429 WeakPolarHBondContact O-CB 3Å; W425-L429 WeakPolarHBondContact O-CG 3.2Å; W425-L429 PolarHBondContact O-N 3.02Å
426I56.9Low54.9Low22 Ų2291.4 Ų91.411%0.11346%0.457CS..Hα-helixtrans-65.4-37.7177.9-65.8163.9000111.4L392 I422 L423 E424 F431 L440L392-I426 HydrophobicContact CD1-CD1 4.23Å; L392-I426 HydrophobicContact CD1-CG2 4.01Å; L392-I426 HydrophobicContact CD2-CB 4.49Å; L392-I426 HydrophobicContact CD2-CG2 3.36Å; L392-I426 HydrophobicContact CG-CG2 4.34Å; I422-I426 HydrophobicContact CG2-CD1 3.81Å; I422-I426 WeakPolarHBondContact O-CD1 3.4Å; I422-I426 VanDerWaalsContact O-CG1 3.23Å; I422-I426 WeakPolarHBondContact O-CG1 3.32Å; I422-I426 PolarHBondContact O-N 2.87Å; L423-I426 PolarHBondContact O-N 3.38Å; E424-I426 VanDerWaalsContact C-N 3.31Å; E424-I426 PolarHBondContact O-N 2.9Å; I426-F431 HydrophobicContact CG2-CB 4.3Å; I426-L440 HydrophobicContact CD1-CD1 4.46Å; I426-L440 HydrophobicContact CD1-CD2 4.26Å; I426-L440 HydrophobicContact CG1-CD2 4.49Å; I426-L440 HydrophobicContact CG2-CD2 4.27Å
427I55.2Low56.3Low58 Ų5888.5 Ų88.530%0.29744%0.435SS..Hα-helixtrans-69-43.8176-64.6168.6000110.8Y396 L423 E424 W425 L429 Q430Y396-I427 HydrophobicContact CD2-CD1 3.8Å; Y396-I427 HydrophobicContact CE2-CD1 3.51Å; L423-I427 WeakPolarHBondContact O-CG1 3.41Å; L423-I427 PolarHBondContact O-N 3.16Å; E424-I427 PolarHBondContact O-N 3.49Å; W425-I427 VanDerWaalsContact C-N 3.34Å; W425-I427 PolarHBondContact O-N 2.96Å; I427-L429 VanDerWaalsContact C-N 3.32Å; I427-L429 PolarHBondContact O-N 3.39Å; I427-Q430 PolarHBondContact O-N 3.14Å
428I57.3Low57.9Low113 Ų11388 Ų8858%0.57943%0.432SS*.Hα-helixtrans-62.6-40.5180-68.3167.2000111.2E424 W425 Q430E424-I428 WeakPolarHBondContact O-CG1 3.49Å; E424-I428 PolarHBondContact O-N 3.43Å; E424-I428 VanDerWaalsContact O-N 3.09Å; W425-I428 PolarHBondContact O-N 2.93Å; I428-Q430 PolarHBondContact O-N 2.88Å
429L61Low59.3Low100 Ų10086 Ų8652%0.52442%0.421SS..THydrogen-bonded Turntrans-79.43.8-177.1-70.3166.2000114W425 I427 F431W425-L429 WeakPolarHBondContact O-CB 3Å; W425-L429 WeakPolarHBondContact O-CG 3.2Å; W425-L429 PolarHBondContact O-N 3.02Å; I427-L429 VanDerWaalsContact C-N 3.32Å; I427-L429 PolarHBondContact O-N 3.39Å; L429-F431 HydrophobicContact CB-CD2 3.59Å; L429-F431 HydrophobicContact CB-CE2 3.43Å; L429-F431 VanDerWaalsContact CB-CE2 3.43Å; L429-F431 HydrophobicContact CB-CZ 4.28Å; L429-F431 HydrophobicContact CD1-CD2 4.46Å; L429-F431 HydrophobicContact CD1-CE2 3.66Å; L429-F431 HydrophobicContact CD1-CZ 4.46Å; L429-F431 HydrophobicContact CG-CE2 4.15Å; L429-F431 PolarHBondContact O-N 3.26Å; L429-F431 VanDerWaalsContact O-N 3.12Å
430Q58Low60.5Low159 Ų15981 Ų8174%0.74340%0.395SS*.THydrogen-bonded Turntrans53.532.7176.2-63.4-95.7-45.100113I427 I428I427-Q430 PolarHBondContact O-N 3.14Å; I428-Q430 PolarHBondContact O-N 2.88Å
431F57.6Low61.9Low66 Ų6682.4 Ų82.429%0.28940%0.397SS..  trans-63.9140175.4-75-66.9000110.2I426 L429 Y433 L443I426-F431 HydrophobicContact CG2-CB 4.3Å; L429-F431 HydrophobicContact CB-CD2 3.59Å; L429-F431 HydrophobicContact CB-CE2 3.43Å; L429-F431 VanDerWaalsContact CB-CE2 3.43Å; L429-F431 HydrophobicContact CB-CZ 4.28Å; L429-F431 HydrophobicContact CD1-CD2 4.46Å; L429-F431 HydrophobicContact CD1-CE2 3.66Å; L429-F431 HydrophobicContact CD1-CZ 4.46Å; L429-F431 HydrophobicContact CG-CE2 4.15Å; L429-F431 PolarHBondContact O-N 3.26Å; L429-F431 VanDerWaalsContact O-N 3.12Å; F431-Y433 PolarHBondContact O-N 3.07Å; F431-L443 HydrophobicContact CD1-CD2 4.35Å; F431-L443 HydrophobicContact CE1-CD2 3.97Å; F431-L443 HydrophobicContact CZ-CD2 4.19Å
432N58.9Low63.3Low107 Ų10785 Ų8557%0.57241%0.405SS*.  trans-59.1121.9-171-164.8-9.3000110.6Q434 W435N432-Q434 PolarHBondContact O-N 3.49Å; N432-W435 PolarHBondContact O-N 3.07Å
433Y61.9Low64.6Low96 Ų9684.4 Ų84.438%0.37640%0.403SS..THydrogen-bonded Turntrans-59.5-3.6-171.3-79.1-82.2000115.9L392 N393 F431L392-Y433 HydrophobicContact CD2-CD1 4.43Å; N393-Y433 WeakPolarHBondContact OD1-CD1 3.39Å; F431-Y433 PolarHBondContact O-N 3.07Å
434Q55.8Low65.8Low120 Ų12086.8 Ų86.856%0.56141%0.409SS*.THydrogen-bonded Turntrans-92-6.2-178.5-63.6-67.2-60.600114.1N432N432-Q434 PolarHBondContact O-N 3.49Å
435W63.9Low67Low92 Ų9284.6 Ų84.635%0.34840%0.404SS..  trans-72.4140.4-176.7-72.142.4000111.7N432 E439 L440 L443N432-W435 PolarHBondContact O-N 3.07Å; W435-E439 HydrophobicContact CE3-CB 3.98Å; W435-L440 HydrophobicContact CB-CD1 4.46Å; W435-L440 HydrophobicContact CB-CG 4.15Å; W435-L443 HydrophobicContact CE3-CD2 4.43Å; W435-L443 HydrophobicContact CH2-CD2 4.33Å; W435-L443 HydrophobicContact CZ3-CB 4.2Å; W435-L443 HydrophobicContact CZ3-CD2 3.81Å; W435-L443 HydrophobicContact CZ3-CG 4.41Å
436T70.3Confident68.6Low32 Ų3281 Ų8120%0.19640%0.396CS..BIsolated β-bridgetrans-75.1155.7174.864.10000111.2N438 E439 L440T436-N438 PolarHBondContact O-N 3.42Å; T436-E439 WeakPolarHBondContact CB-OE2 3.49Å; T436-E439 PolarHBondContact N-OE2 2.79Å; T436-E439 PolarHBondContact O-N 3.01Å; T436-E439 WeakPolarHBondContact OG1-CB 3.25Å; T436-E439 WeakPolarHBondContact OG1-CG 3.35Å; T436-E439 PolarHBondContact OG1-N 2.9Å; T436-E439 PolarHBondContact OG1-OE2 3.17Å; T436-L440 PolarHBondContact O-N 3.29Å
437I67.6Low69.9Low50 Ų5083 Ų8326%0.25641%0.406SS..Hα-helixtrans-54.4-39.6174.1-66.5165.5000111.3Y390 T395 L440 I441Y390-I437 WeakPolarHBondContact O-CG1 3.44Å; Y390-I437 PolarHBondContact O-N 3.43Å; T395-I437 HydrophobicContact CG2-CD1 3.6Å; T395-I437 HydrophobicContact CG2-CG1 4.17Å; I437-L440 PolarHBondContact O-N 2.98Å; I437-I441 HydrophobicContact CG2-CD1 3.65Å; I437-I441 HydrophobicContact CG2-CG1 4.2Å; I437-I441 VanDerWaalsContact O-CG1 3.25Å; I437-I441 WeakPolarHBondContact O-CG1 3.3Å; I437-I441 PolarHBondContact O-N 2.83Å
438N72.4Confident71.3Confident77 Ų7783 Ų8341%0.41241%0.405SS..Hα-helixtrans-65.6-42.7-179.8-68.4-12.5000111.9N389 T436 L440 I441 I442N389-N438 PolarHBondContact OD1-ND2 2.97Å; T436-N438 PolarHBondContact O-N 3.42Å; N438-L440 VanDerWaalsContact C-N 3.34Å; N438-I441 PolarHBondContact O-N 3.06Å; N438-I442 VanDerWaalsContact O-CG1 3.25Å; N438-I442 WeakPolarHBondContact O-CG1 3.4Å; N438-I442 PolarHBondContact O-N 3.46Å
439E77.4Confident72.7Confident92 Ų9283.4 Ų83.443%0.4341%0.406SS..Hα-helixtrans-64.3-39.4175.6-71.2161.5155.300111.7W435 T436 I442 L443W435-E439 HydrophobicContact CE3-CB 3.98Å; T436-E439 WeakPolarHBondContact CB-OE2 3.49Å; T436-E439 PolarHBondContact N-OE2 2.79Å; T436-E439 PolarHBondContact O-N 3.01Å; T436-E439 WeakPolarHBondContact OG1-CB 3.25Å; T436-E439 WeakPolarHBondContact OG1-CG 3.35Å; T436-E439 PolarHBondContact OG1-N 2.9Å; T436-E439 PolarHBondContact OG1-OE2 3.17Å; E439-I442 PolarHBondContact O-N 3.48Å; E439-L443 WeakPolarHBondContact O-CB 3.48Å; E439-L443 PolarHBondContact O-N 2.85Å
440L74.7Confident74Confident20 Ų2084 Ų8411%0.10541%0.409CS..Hα-helixtrans-65.2-40.2174.4-76.6163.4000112.2L392 I426 W435 T436 I437 N438 L443 Y444L392-L440 HydrophobicContact CB-CD1 4.29Å; L392-L440 HydrophobicContact CD1-CD1 3.88Å; I426-L440 HydrophobicContact CD1-CD1 4.46Å; I426-L440 HydrophobicContact CD1-CD2 4.26Å; I426-L440 HydrophobicContact CG1-CD2 4.49Å; I426-L440 HydrophobicContact CG2-CD2 4.27Å; W435-L440 HydrophobicContact CB-CD1 4.46Å; W435-L440 HydrophobicContact CB-CG 4.15Å; T436-L440 PolarHBondContact O-N 3.29Å; I437-L440 PolarHBondContact O-N 2.98Å; N438-L440 VanDerWaalsContact C-N 3.34Å; L440-L443 PolarHBondContact O-N 3.13Å; L440-Y444 VanDerWaalsContact O-CB 3.22Å; L440-Y444 WeakPolarHBondContact O-CB 3.45Å; L440-Y444 PolarHBondContact O-N 3.23Å
441I78Confident75.3Confident93 Ų9380.9 Ų80.948%0.47740%0.397SS..Hα-helixtrans-64.3-42.1174.5-70.7168.5000110.5I437 N438 Y444 T445I437-I441 HydrophobicContact CG2-CD1 3.65Å; I437-I441 HydrophobicContact CG2-CG1 4.2Å; I437-I441 VanDerWaalsContact O-CG1 3.25Å; I437-I441 WeakPolarHBondContact O-CG1 3.3Å; I437-I441 PolarHBondContact O-N 2.83Å; N438-I441 PolarHBondContact O-N 3.06Å; I441-Y444 PolarHBondContact O-N 3.18Å; I441-T445 HydrophobicContact CG2-CG2 4.36Å; I441-T445 WeakPolarHBondContact O-CB 3.36Å; I441-T445 VanDerWaalsContact O-CG2 3.25Å; I441-T445 WeakPolarHBondContact O-CG2 3.36Å; I441-T445 PolarHBondContact O-N 2.73Å; I441-T445 PolarHBondContact O-OG1 3.1Å
442I82.9Confident76.6Confident100 Ų10083.3 Ų83.351%0.51341%0.407SS..Hα-helixtrans-64.3-46.8176.9-67.8163.9000110.2N438 E439 Y444 T445 I446N438-I442 VanDerWaalsContact O-CG1 3.25Å; N438-I442 WeakPolarHBondContact O-CG1 3.4Å; N438-I442 PolarHBondContact O-N 3.46Å; E439-I442 PolarHBondContact O-N 3.48Å; I442-Y444 PolarHBondContact O-N 3.03Å; I442-T445 WeakPolarHBondContact CA-OG1 3.01Å; I442-T445 PolarHBondContact O-N 3.05Å; I442-T445 PolarHBondContact O-OG1 2.9Å; I442-I446 HydrophobicContact CG2-CD1 3.82Å; I442-I446 WeakPolarHBondContact O-CD1 3.35Å; I442-I446 VanDerWaalsContact O-CG1 3.24Å; I442-I446 WeakPolarHBondContact O-CG1 3.28Å; I442-I446 PolarHBondContact O-N 3.43Å
443L81.6Confident78Confident43 Ų4381.4 Ų81.423%0.22540%0.4CS..Hα-helixtrans-60.5-46.1176.9-178.268.7000111.6F431 W435 E439 L440 I446 I447F431-L443 HydrophobicContact CD1-CD2 4.35Å; F431-L443 HydrophobicContact CE1-CD2 3.97Å; F431-L443 HydrophobicContact CZ-CD2 4.19Å; W435-L443 HydrophobicContact CE3-CD2 4.43Å; W435-L443 HydrophobicContact CH2-CD2 4.33Å; W435-L443 HydrophobicContact CZ3-CB 4.2Å; W435-L443 HydrophobicContact CZ3-CD2 3.81Å; W435-L443 HydrophobicContact CZ3-CG 4.41Å; E439-L443 WeakPolarHBondContact O-CB 3.48Å; E439-L443 PolarHBondContact O-N 2.85Å; L440-L443 PolarHBondContact O-N 3.13Å; L443-I446 PolarHBondContact O-N 3Å; L443-I447 HydrophobicContact CD1-CD1 4.22Å; L443-I447 HydrophobicContact CD2-CD1 4.41Å; L443-I447 HydrophobicContact CG-CD1 3.86Å; L443-I447 VanDerWaalsContact O-CG1 3.3Å; L443-I447 WeakPolarHBondContact O-CG1 3.25Å; L443-I447 PolarHBondContact O-N 3.49Å
444Y79.5Confident79.3Confident100 Ų10079.6 Ų79.639%0.39240%0.4SS..Hα-helixtrans-63.7-43.2179-175.4-97.9000111.7L440 I441 I442 I446 I447 M448L440-Y444 VanDerWaalsContact O-CB 3.22Å; L440-Y444 WeakPolarHBondContact O-CB 3.45Å; L440-Y444 PolarHBondContact O-N 3.23Å; I441-Y444 PolarHBondContact O-N 3.18Å; I442-Y444 PolarHBondContact O-N 3.03Å; Y444-I446 VanDerWaalsContact C-N 3.32Å; Y444-I446 PolarHBondContact O-N 3.37Å; Y444-I447 PolarHBondContact O-N 2.8Å; Y444-M448 HydrophobicContact CD1-CG 3.85Å; Y444-M448 HydrophobicContact CD2-CG 4.49Å; Y444-M448 HydrophobicContact CE1-CE 4.47Å; Y444-M448 HydrophobicContact CE1-CG 3.5Å; Y444-M448 VanDerWaalsContact CE1-CG 3.5Å; Y444-M448 HydrophobicContact CE1-SD 4.1Å; Y444-M448 HydrophobicContact CE2-CG 4.19Å; Y444-M448 HydrophobicContact CE2-SD 4.18Å; Y444-M448 HydrophobicContact CG-CG 4.34Å; Y444-M448 WeakPolarHBondContact O-CB 3.28Å; Y444-M448 WeakPolarHBondContact O-CG 3.49Å; Y444-M448 PolarHBondContact O-N 3.15Å
445T82.7Confident80.8Confident74 Ų7478 Ų7845%0.45439%0.394SS..Hα-helixtrans-62.8-39.517651.10000111.5I441 I442 M448 M449I441-T445 HydrophobicContact CG2-CG2 4.36Å; I441-T445 WeakPolarHBondContact O-CB 3.36Å; I441-T445 VanDerWaalsContact O-CG2 3.25Å; I441-T445 WeakPolarHBondContact O-CG2 3.36Å; I441-T445 PolarHBondContact O-N 2.73Å; I441-T445 PolarHBondContact O-OG1 3.1Å; I442-T445 WeakPolarHBondContact CA-OG1 3.01Å; I442-T445 PolarHBondContact O-N 3.05Å; I442-T445 PolarHBondContact O-OG1 2.9Å; T445-M448 PolarHBondContact O-N 3.31Å; T445-M449 WeakPolarHBondContact O-CB 3.36Å; T445-M449 WeakPolarHBondContact O-CG 3.1Å; T445-M449 PolarHBondContact O-N 3.46Å
446I86.6Confident82Confident88 Ų8881.6 Ų81.645%0.45141%0.409SS..Hα-helixtrans-62.4-47.6173.6-67.8165.5000111.4I442 L443 Y444 M448 M449 I450I442-I446 HydrophobicContact CG2-CD1 3.82Å; I442-I446 WeakPolarHBondContact O-CD1 3.35Å; I442-I446 VanDerWaalsContact O-CG1 3.24Å; I442-I446 WeakPolarHBondContact O-CG1 3.28Å; I442-I446 PolarHBondContact O-N 3.43Å; L443-I446 PolarHBondContact O-N 3Å; Y444-I446 VanDerWaalsContact C-N 3.32Å; Y444-I446 PolarHBondContact O-N 3.37Å; I446-M448 PolarHBondContact O-N 3.08Å; I446-M449 PolarHBondContact O-N 2.99Å; I446-I450 HydrophobicContact CG2-CD1 3.81Å; I446-I450 WeakPolarHBondContact O-CG1 3.37Å; I446-I450 PolarHBondContact O-N 2.94Å
447I85.2Confident82.9Confident62 Ų6285.2 Ų85.232%0.31843%0.427SS..Hα-helixtrans-61.3-44.1178.9-70.7168.6000111L443 Y444 M449 I450 L451L443-I447 HydrophobicContact CD1-CD1 4.22Å; L443-I447 HydrophobicContact CD2-CD1 4.41Å; L443-I447 HydrophobicContact CG-CD1 3.86Å; L443-I447 VanDerWaalsContact O-CG1 3.3Å; L443-I447 WeakPolarHBondContact O-CG1 3.25Å; L443-I447 PolarHBondContact O-N 3.49Å; Y444-I447 PolarHBondContact O-N 2.8Å; I447-M449 VanDerWaalsContact C-N 3.35Å; I447-M449 PolarHBondContact O-N 2.9Å; I447-I450 PolarHBondContact O-N 3.47Å; I447-L451 HydrophobicContact CG2-CD1 3.8Å; I447-L451 PolarHBondContact O-N 2.99Å
448M84.3Confident83.9Confident58 Ų5887.4 Ų87.429%0.28644%0.438SS..Hα-helixtrans-64.2-40.1177-67.4-64.9-76.700111.3Y444 T445 I446 I450 L451 F452Y444-M448 HydrophobicContact CD1-CG 3.85Å; Y444-M448 HydrophobicContact CD2-CG 4.49Å; Y444-M448 HydrophobicContact CE1-CE 4.47Å; Y444-M448 HydrophobicContact CE1-CG 3.5Å; Y444-M448 VanDerWaalsContact CE1-CG 3.5Å; Y444-M448 HydrophobicContact CE1-SD 4.1Å; Y444-M448 HydrophobicContact CE2-CG 4.19Å; Y444-M448 HydrophobicContact CE2-SD 4.18Å; Y444-M448 HydrophobicContact CG-CG 4.34Å; Y444-M448 WeakPolarHBondContact O-CB 3.28Å; Y444-M448 WeakPolarHBondContact O-CG 3.49Å; Y444-M448 PolarHBondContact O-N 3.15Å; T445-M448 PolarHBondContact O-N 3.31Å; I446-M448 PolarHBondContact O-N 3.08Å; M448-I450 VanDerWaalsContact C-N 3.33Å; M448-I450 PolarHBondContact O-N 2.9Å; M448-L451 PolarHBondContact O-N 3.17Å; M448-F452 HydrophobicContact CB-CD2 4.36Å; M448-F452 HydrophobicContact CE-CD2 3.76Å; M448-F452 HydrophobicContact CE-CE2 3.11Å; M448-F452 HydrophobicContact CE-CZ 3.81Å; M448-F452 WeakPolarHBondContact O-CB 3.48Å; M448-F452 VanDerWaalsContact O-CD2 3.25Å; M448-F452 WeakPolarHBondContact O-CD2 3.43Å; M448-F452 PolarHBondContact O-N 2.78Å; M448-F452 HydrophobicContact SD-CD2 4.11Å; M448-F452 HydrophobicContact SD-CE2 3.57Å; M448-F452 VanDerWaalsContact SD-CE2 3.57Å
449M85.8Confident84.7Confident123 Ų12388.6 Ų88.661%0.60644%0.442SS*.Hα-helixtrans-61.4-42173.6-71.4-63.2-69.100111.5T445 I446 I447 T453T445-M449 WeakPolarHBondContact O-CB 3.36Å; T445-M449 WeakPolarHBondContact O-CG 3.1Å; T445-M449 PolarHBondContact O-N 3.46Å; I446-M449 PolarHBondContact O-N 2.99Å; I447-M449 VanDerWaalsContact C-N 3.35Å; I447-M449 PolarHBondContact O-N 2.9Å; M449-T453 HydrophobicContact CE-CG2 4.31Å; M449-T453 VanDerWaalsContact O-CB 3.25Å; M449-T453 WeakPolarHBondContact O-CB 3.09Å; M449-T453 WeakPolarHBondContact O-CG2 3.37Å; M449-T453 PolarHBondContact O-N 3.02Å; M449-T453 VanDerWaalsContact O-N 3.13Å; M449-T453 PolarHBondContact O-OG1 3.46Å
450I88.1Confident85.3Confident112 Ų11289.1 Ų89.157%0.57444%0.443SS*.Hα-helixtrans-68.2-37.9179.3-66.8166000112.3I446 I447 M448 P454I446-I450 HydrophobicContact CG2-CD1 3.81Å; I446-I450 WeakPolarHBondContact O-CG1 3.37Å; I446-I450 PolarHBondContact O-N 2.94Å; I447-I450 PolarHBondContact O-N 3.47Å; M448-I450 VanDerWaalsContact C-N 3.33Å; M448-I450 PolarHBondContact O-N 2.9Å; I450-P454 WeakPolarHBondContact O-CD 3.45Å; I450-P454 WeakPolarHBondContact O-CG 3.45Å
451L85.1Confident86Confident94 Ų9492 Ų9249%0.49246%0.464SS..Hα-helixtrans-75.3-43.5179.9-85.6162.1000112.8I447 M448 P454 I455I447-L451 HydrophobicContact CG2-CD1 3.8Å; I447-L451 PolarHBondContact O-N 2.99Å; M448-L451 PolarHBondContact O-N 3.17Å; L451-P454 WeakPolarHBondContact O-CD 3.13Å; L451-P454 WeakPolarHBondContact O-CG 3.49Å; L451-I455 WeakPolarHBondContact O-CD1 2.95Å; L451-I455 WeakPolarHBondContact O-CG1 3.38Å
452F86.7Confident86.5Confident116 Ų11693.2 Ų93.251%0.50947%0.466SS..Hα-helixtrans-87.8-25.2-171.2-74.6-88.7000113.7M448 I455 Y456M448-F452 HydrophobicContact CB-CD2 4.36Å; M448-F452 HydrophobicContact CE-CD2 3.76Å; M448-F452 HydrophobicContact CE-CE2 3.11Å; M448-F452 HydrophobicContact CE-CZ 3.81Å; M448-F452 WeakPolarHBondContact O-CB 3.48Å; M448-F452 VanDerWaalsContact O-CD2 3.25Å; M448-F452 WeakPolarHBondContact O-CD2 3.43Å; M448-F452 PolarHBondContact O-N 2.78Å; M448-F452 HydrophobicContact SD-CD2 4.11Å; M448-F452 HydrophobicContact SD-CE2 3.57Å; M448-F452 VanDerWaalsContact SD-CE2 3.57Å; F452-I455 PolarHBondContact O-N 3Å; F452-Y456 WeakPolarHBondContact O-CB 3.46Å; F452-Y456 PolarHBondContact O-N 3.29Å
453T87.6Confident86.8Confident67 Ų6792.4 Ų92.441%0.41146%0.462SS..Hα-helixtrans-59.4-47.6174.849.80000113.7M449 Y456 L457M449-T453 HydrophobicContact CE-CG2 4.31Å; M449-T453 VanDerWaalsContact O-CB 3.25Å; M449-T453 WeakPolarHBondContact O-CB 3.09Å; M449-T453 WeakPolarHBondContact O-CG2 3.37Å; M449-T453 PolarHBondContact O-N 3.02Å; M449-T453 VanDerWaalsContact O-N 3.13Å; M449-T453 PolarHBondContact O-OG1 3.46Å; T453-Y456 PolarHBondContact O-N 2.89Å; T453-L457 VanDerWaalsContact O-CG 3.31Å; T453-L457 WeakPolarHBondContact O-CG 3.22Å; T453-L457 PolarHBondContact O-N 2.95Å
454P88.1Confident87.2Confident58 Ų5896 Ų9638%0.37748%0.476SS..Hα-helixtrans-67.4-36.6176.524.9-33.1000112.3I450 L451 Y456 L457 I458I450-P454 WeakPolarHBondContact O-CD 3.45Å; I450-P454 WeakPolarHBondContact O-CG 3.45Å; L451-P454 WeakPolarHBondContact O-CD 3.13Å; L451-P454 WeakPolarHBondContact O-CG 3.49Å; P454-Y456 PolarHBondContact O-N 3.25Å; P454-L457 PolarHBondContact O-N 3.19Å; P454-I458 WeakPolarHBondContact O-CB 3.43Å; P454-I458 WeakPolarHBondContact O-CD1 3.31Å; P454-I458 WeakPolarHBondContact O-CG1 3.24Å; P454-I458 PolarHBondContact O-N 3.17Å
455I88.4Confident87.6Confident88 Ų8895.6 Ų95.645%0.45148%0.48SS..Hα-helixtrans-63.4-43.5176.5-63.5171.2000110.5L451 F452 I458 M459L451-I455 WeakPolarHBondContact O-CD1 2.95Å; L451-I455 WeakPolarHBondContact O-CG1 3.38Å; F452-I455 PolarHBondContact O-N 3Å; I455-I458 PolarHBondContact O-N 2.92Å; I455-M459 HydrophobicContact CG2-CG 4.5Å; I455-M459 WeakPolarHBondContact O-CB 3.3Å; I455-M459 WeakPolarHBondContact O-CG 3.47Å; I455-M459 PolarHBondContact O-N 3.22Å
456Y88Confident87.7Confident167 Ų16796.4 Ų96.466%0.65548%0.48SS*.Hα-helixtrans-64.3-40.2177-172.4-95.6000111.7F452 T453 P454 M459 F460F452-Y456 WeakPolarHBondContact O-CB 3.46Å; F452-Y456 PolarHBondContact O-N 3.29Å; T453-Y456 PolarHBondContact O-N 2.89Å; P454-Y456 PolarHBondContact O-N 3.25Å; Y456-M459 PolarHBondContact O-N 2.97Å; Y456-F460 VanDerWaalsContact O-CB 3.24Å; Y456-F460 WeakPolarHBondContact O-CB 3.37Å; Y456-F460 PolarHBondContact O-N 3.09Å
457L89.3Confident87.8Confident108 Ų10897.7 Ų97.757%0.56549%0.485SS*.Hα-helixtrans-63.6-42.3173.9-71.4170.8000112.2T453 P454 F460 C461T453-L457 VanDerWaalsContact O-CG 3.31Å; T453-L457 WeakPolarHBondContact O-CG 3.22Å; T453-L457 PolarHBondContact O-N 2.95Å; P454-L457 PolarHBondContact O-N 3.19Å; L457-F460 PolarHBondContact O-N 3.28Å; L457-C461 WeakPolarHBondContact O-CB 3.18Å; L457-C461 PolarHBondContact O-N 3.39Å; L457-C461 PolarHBondContact O-SG 3.22Å; L457-C461 VanDerWaalsContact O-SG 3.34Å
458I89.3Confident87.8Confident96 Ų96100.8 Ų100.849%0.49249%0.493SS..Hα-helixtrans-63.2-48.6175.7-69.3163000110.3P454 I455 F460 C461 F462P454-I458 WeakPolarHBondContact O-CB 3.43Å; P454-I458 WeakPolarHBondContact O-CD1 3.31Å; P454-I458 WeakPolarHBondContact O-CG1 3.24Å; P454-I458 PolarHBondContact O-N 3.17Å; I455-I458 PolarHBondContact O-N 2.92Å; I458-F460 VanDerWaalsContact C-N 3.31Å; I458-F460 PolarHBondContact O-N 3.17Å; I458-C461 WeakPolarHBondContact O-CB 3.32Å; I458-C461 PolarHBondContact O-N 3.39Å; I458-F462 HydrophobicContact CG2-CD2 3.68Å; I458-F462 HydrophobicContact CG2-CE2 3.76Å; I458-F462 WeakPolarHBondContact O-CD2 3.3Å; I458-F462 PolarHBondContact O-N 2.89Å
459M88.5Confident87.8Confident102 Ų102101.9 Ų101.950%0.50250%0.499SS..Hα-helixtrans-59.2-41.9176.4-79.8-64.1-58.100112I455 Y456 F462 I463I455-M459 HydrophobicContact CG2-CG 4.5Å; I455-M459 WeakPolarHBondContact O-CB 3.3Å; I455-M459 WeakPolarHBondContact O-CG 3.47Å; I455-M459 PolarHBondContact O-N 3.22Å; Y456-M459 PolarHBondContact O-N 2.97Å; M459-F462 PolarHBondContact O-N 2.87Å; M459-I463 VanDerWaalsContact O-CG1 3.28Å; M459-I463 WeakPolarHBondContact O-CG1 3.42Å; M459-I463 PolarHBondContact O-N 3.39Å
460F90.1Very high87.6Confident103 Ų103100.8 Ų100.845%0.45250%0.496SS..Hα-helixtrans-62.7-42.6175.3-176.1-97.3000111.9Y456 L457 I458 I463 K464Y456-F460 VanDerWaalsContact O-CB 3.24Å; Y456-F460 WeakPolarHBondContact O-CB 3.37Å; Y456-F460 PolarHBondContact O-N 3.09Å; L457-F460 PolarHBondContact O-N 3.28Å; I458-F460 VanDerWaalsContact C-N 3.31Å; I458-F460 PolarHBondContact O-N 3.17Å; F460-I463 PolarHBondContact O-N 3.41Å; F460-K464 HydrophobicContact CD1-CG 4.32Å; F460-K464 HydrophobicContact CE1-CG 4.03Å; F460-K464 HydrophobicContact CZ-CG 4.33Å; F460-K464 WeakPolarHBondContact O-CB 3.07Å; F460-K464 WeakPolarHBondContact O-CG 3.3Å; F460-K464 PolarHBondContact O-N 2.87Å
461C89.8Confident87.3Confident81 Ų81102.9 Ų102.955%0.54750%0.497SS..Hα-helixtrans-62.1-42.1172.7-74.90000112.2L457 I458 K464 L465L457-C461 WeakPolarHBondContact O-CB 3.18Å; L457-C461 PolarHBondContact O-N 3.39Å; L457-C461 PolarHBondContact O-SG 3.22Å; L457-C461 VanDerWaalsContact O-SG 3.34Å; I458-C461 WeakPolarHBondContact O-CB 3.32Å; I458-C461 PolarHBondContact O-N 3.39Å; C461-K464 PolarHBondContact O-N 2.87Å; C461-L465 WeakPolarHBondContact O-CB 3.21Å; C461-L465 PolarHBondContact O-N 3.23Å
462F88.4Confident86.9Confident117 Ų117105.7 Ų105.751%0.51350%0.501SS..Hα-helixtrans-63.6-43.3175.6-94.1-79.2000112.2I458 M459 L465 I466I458-F462 HydrophobicContact CG2-CD2 3.68Å; I458-F462 HydrophobicContact CG2-CE2 3.76Å; I458-F462 WeakPolarHBondContact O-CD2 3.3Å; I458-F462 PolarHBondContact O-N 2.89Å; M459-F462 PolarHBondContact O-N 2.87Å; F462-L465 WeakPolarHBondContact O-CB 3.49Å; F462-L465 PolarHBondContact O-N 3.41Å; F462-I466 VanDerWaalsContact O-CG1 3.29Å; F462-I466 WeakPolarHBondContact O-CG1 3.43Å; F462-I466 PolarHBondContact O-N 2.8Å
463I89.7Confident86.1Confident84 Ų84104.7 Ų104.743%0.43150%0.501SS..Hα-helixtrans-62.9-44176.1-68.5164.9000110.5M459 F460 L465 I466 Q467M459-I463 VanDerWaalsContact O-CG1 3.28Å; M459-I463 WeakPolarHBondContact O-CG1 3.42Å; M459-I463 PolarHBondContact O-N 3.39Å; F460-I463 PolarHBondContact O-N 3.41Å; I463-L465 VanDerWaalsContact C-N 3.33Å; I463-L465 PolarHBondContact O-N 2.65Å; I463-I466 PolarHBondContact O-N 2.93Å; I463-Q467 WeakPolarHBondContact O-CB 3.48Å; I463-Q467 WeakPolarHBondContact O-CG 3.33Å; I463-Q467 PolarHBondContact O-N 2.97Å
464K89.4Confident85.2Confident119 Ų119106.9 Ų106.952%0.51751%0.509SS..Hα-helixtrans-60.8-39.9174.2-78.2-93.7-177.8172.60112.2F460 C461 Q467 Y468F460-K464 HydrophobicContact CD1-CG 4.32Å; F460-K464 HydrophobicContact CE1-CG 4.03Å; F460-K464 HydrophobicContact CZ-CG 4.33Å; F460-K464 WeakPolarHBondContact O-CB 3.07Å; F460-K464 WeakPolarHBondContact O-CG 3.3Å; F460-K464 PolarHBondContact O-N 2.87Å; C461-K464 PolarHBondContact O-N 2.87Å; K464-Q467 PolarHBondContact O-N 3.35Å; K464-Y468 WeakPolarHBondContact O-CB 3.44Å; K464-Y468 PolarHBondContact O-N 3.37Å
465L88.1Confident83.8Confident91 Ų91109.7 Ų109.748%0.47652%0.517SS..Hα-helixtrans-66-44.2176.3-171.277.5000111.4C461 F462 I463 Y468 I469C461-L465 WeakPolarHBondContact O-CB 3.21Å; C461-L465 PolarHBondContact O-N 3.23Å; F462-L465 WeakPolarHBondContact O-CB 3.49Å; F462-L465 PolarHBondContact O-N 3.41Å; I463-L465 VanDerWaalsContact C-N 3.33Å; I463-L465 PolarHBondContact O-N 2.65Å; L465-Y468 WeakPolarHBondContact O-CB 3.28Å; L465-Y468 PolarHBondContact O-N 3.21Å; L465-I469 HydrophobicContact CG-CD1 4.11Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.38Å; L465-I469 PolarHBondContact O-N 2.74Å
466I85.9Confident82.5Confident90 Ų90110.5 Ų110.546%0.46253%0.526SS..Hα-helixtrans-62.4-45175.4-69.8165.9000110.5F462 I463 Y468 I469 L470F462-I466 VanDerWaalsContact O-CG1 3.29Å; F462-I466 WeakPolarHBondContact O-CG1 3.43Å; F462-I466 PolarHBondContact O-N 2.8Å; I463-I466 PolarHBondContact O-N 2.93Å; I466-Y468 VanDerWaalsContact C-N 3.32Å; I466-Y468 PolarHBondContact O-N 3.26Å; I466-I469 PolarHBondContact O-N 3.16Å; I466-L470 HydrophobicContact CG2-CD1 3.82Å; I466-L470 HydrophobicContact CG2-CG 4.36Å; I466-L470 WeakPolarHBondContact O-CB 3.17Å; I466-L470 WeakPolarHBondContact O-CG 3.18Å; I466-L470 PolarHBondContact O-N 3.49Å
467Q86.9Confident80.9Confident115 Ų115109.8 Ų109.854%0.53753%0.534SS..Hα-helixtrans-59.6-41.3174.1-76.2179.1-21.200111.8I463 K464 Y471I463-Q467 WeakPolarHBondContact O-CB 3.48Å; I463-Q467 WeakPolarHBondContact O-CG 3.33Å; I463-Q467 PolarHBondContact O-N 2.97Å; K464-Q467 PolarHBondContact O-N 3.35Å; Q467-Y471 VanDerWaalsContact O-CB 3.25Å; Q467-Y471 WeakPolarHBondContact O-CB 3.3Å; Q467-Y471 PolarHBondContact O-N 3.34Å
468Y85.8Confident79Confident127 Ų127115 Ų11550%0.49856%0.558SS.*Hα-helixtrans-63.4-42.5175.6179.7-98.6000112.5K464 L465 I466 Y471 R472K464-Y468 WeakPolarHBondContact O-CB 3.44Å; K464-Y468 PolarHBondContact O-N 3.37Å; L465-Y468 WeakPolarHBondContact O-CB 3.28Å; L465-Y468 PolarHBondContact O-N 3.21Å; I466-Y468 VanDerWaalsContact C-N 3.32Å; I466-Y468 PolarHBondContact O-N 3.26Å; Y468-Y471 PolarHBondContact O-N 3.34Å; Y468-R472 PolarHBondContact O-N 3.3Å; Y468-R472 PolarHBondContact OH-NE 3.04Å; Y468-R472 VanDerWaalsContact OH-NE 3.12Å; Y468-R472 PolarHBondContact OH-NH2 3.31Å
469I84.2Confident78.5Confident81 Ų81116 Ų11642%0.41556%0.561SS.*Hα-helixtrans-66.5-44.3177.7-67.8164.6000111L465 I466 R472 N473L465-I469 HydrophobicContact CG-CD1 4.11Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.38Å; L465-I469 PolarHBondContact O-N 2.74Å; I466-I469 PolarHBondContact O-N 3.16Å; I469-R472 PolarHBondContact O-N 3.18Å; I469-N473 PolarHBondContact O-N 3.41Å
470L82.1Confident78Confident101 Ų101116.7 Ų116.753%0.52956%0.564SS.*Hα-helixtrans-63.7-42.6176.3-71.9169.7000111.6I466 R472 N473 I474I466-L470 HydrophobicContact CG2-CD1 3.82Å; I466-L470 HydrophobicContact CG2-CG 4.36Å; I466-L470 WeakPolarHBondContact O-CB 3.17Å; I466-L470 WeakPolarHBondContact O-CG 3.18Å; I466-L470 PolarHBondContact O-N 3.49Å; L470-R472 VanDerWaalsContact C-N 3.35Å; L470-R472 PolarHBondContact O-N 3.41Å; L470-N473 PolarHBondContact O-N 2.86Å; L470-I474 VanDerWaalsContact O-CG1 3.3Å; L470-I474 WeakPolarHBondContact O-CG1 3.28Å; L470-I474 PolarHBondContact O-N 2.94Å
471Y81Confident77.3Confident155 Ų155117.4 Ų117.461%0.60857%0.57SS**Hα-helixtrans-63.2-39176.1-170.1-93.7000112.2Q467 Y468 H475Q467-Y471 VanDerWaalsContact O-CB 3.25Å; Q467-Y471 WeakPolarHBondContact O-CB 3.3Å; Q467-Y471 PolarHBondContact O-N 3.34Å; Y468-Y471 PolarHBondContact O-N 3.34Å; Y471-H475 AromaticContact CE1-CD2 3.7Å; Y471-H475 AromaticContact CE1-NE2 3.95Å; Y471-H475 AromaticContact CZ-CD2 3.86Å; Y471-H475 AromaticContact CZ-NE2 3.69Å; Y471-H475 PolarHBondContact O-N 2.89Å
472R78.2Confident76.6Confident153 Ų153119.6 Ų119.658%0.57757%0.572SS**Hα-helixtrans-64.8-44.9172.5-106.1-165.5-169.4-1434.8112.8Y468 I469 L470 I474 H475 V476Y468-R472 PolarHBondContact O-N 3.3Å; Y468-R472 PolarHBondContact OH-NE 3.04Å; Y468-R472 VanDerWaalsContact OH-NE 3.12Å; Y468-R472 PolarHBondContact OH-NH2 3.31Å; I469-R472 PolarHBondContact O-N 3.18Å; L470-R472 VanDerWaalsContact C-N 3.35Å; L470-R472 PolarHBondContact O-N 3.41Å; R472-I474 VanDerWaalsContact C-N 3.34Å; R472-I474 PolarHBondContact O-N 3.21Å; R472-H475 PolarHBondContact O-N 3.09Å; R472-H475 VanDerWaalsContact O-N 3.14Å; R472-V476 WeakPolarHBondContact O-CG2 3.47Å; R472-V476 PolarHBondContact O-N 2.7Å
473N69.2Low75.8Confident95 Ų95119.8 Ų119.851%0.50858%0.575SS.*Hα-helixtrans-70.2-29.4-176.6-78.8-12.4000113I469 L470 H475 V476 N477I469-N473 PolarHBondContact O-N 3.41Å; L470-N473 PolarHBondContact O-N 2.86Å; N473-H475 VanDerWaalsContact C-N 3.29Å; N473-V476 PolarHBondContact O-N 2.92Å; N473-N477 PolarHBondContact O-N 3.3Å
474I68.4Low74.9Confident114 Ų114122.1 Ų122.159%0.58559%0.585SS**Hα-helixtrans-68.1-31.2171.9-67164.8000111L470 R472L470-I474 VanDerWaalsContact O-CG1 3.3Å; L470-I474 WeakPolarHBondContact O-CG1 3.28Å; L470-I474 PolarHBondContact O-N 2.94Å; R472-I474 VanDerWaalsContact C-N 3.34Å; R472-I474 PolarHBondContact O-N 3.21Å
475H59.9Low73.9Confident116 Ų116122.4 Ų122.454%0.53759%0.59SS.*THydrogen-bonded Turntrans-85.1-2.9175.9-88.9-66.9000115.4Y471 R472 N473Y471-H475 AromaticContact CE1-CD2 3.7Å; Y471-H475 AromaticContact CE1-NE2 3.95Å; Y471-H475 AromaticContact CZ-CD2 3.86Å; Y471-H475 AromaticContact CZ-NE2 3.69Å; Y471-H475 PolarHBondContact O-N 2.89Å; R472-H475 PolarHBondContact O-N 3.09Å; R472-H475 VanDerWaalsContact O-N 3.14Å; N473-H475 VanDerWaalsContact C-N 3.29Å
476V61.4Low72.8Confident106 Ų106124.8 Ų124.864%0.64260%0.598SS**THydrogen-bonded Turntrans-103.7-16.5174.1176.70000111.8R472 N473R472-V476 WeakPolarHBondContact O-CG2 3.47Å; R472-V476 PolarHBondContact O-N 2.7Å; N473-V476 PolarHBondContact O-N 2.92Å
477N53.2Low71.7Confident152 Ų152127.7 Ų127.781%0.81361%0.61SS**  trans-108.113.9176.2-76.8-18.5000114N473N473-N477 PolarHBondContact O-N 3.3Å
478M50.1Low70.3Confident217 Ų217128.8 Ų128.8100%1.06962%0.616SS**  trans-113.90159.8-100.5-177.1165.700107.6

Retrieved 478 of 478 residues in 421.5 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).