A0A087YJI9_POEFO Loading...

Exosome complex exonuclease RRP44

AlphaFold DB , UniProt , Accession A0A087YJI9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 951 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
1M85.8Confident84.2Confident131 Ų13195.5 Ų95.565%0.64549%0.486SS*.  0141.90-177.3-172.8-166.600109.3L25M1-L25 HydrophobicContact CB-CB 4.17Å; M1-L25 PolarHBondContact N-O 2.96Å; M1-L25 WeakPolarHBondContact O-CB 3.37Å; M1-L25 PolarHBondContact O-N 2.61Å; M1-L25 HydrophobicContact SD-CD1 4.26Å
2L88.8Confident82.9Confident91 Ų91110 Ų11048%0.47653%0.53SS..EExtended strand (participates in β ladder)trans-103.4131.3178.7178.162.6000110.3E22 Y24L2-E22 HydrophobicContact CD1-CB 3.87Å; L2-E22 HydrophobicContact CD1-CG 4.2Å; L2-Y24 HydrophobicContact CD1-CD1 4Å; L2-Y24 HydrophobicContact CD1-CD2 4.32Å; L2-Y24 HydrophobicContact CD1-CE1 3.82Å; L2-Y24 HydrophobicContact CD1-CE2 4.12Å; L2-Y24 HydrophobicContact CD1-CG 4.25Å
3K89Confident82.2Confident67 Ų67110.2 Ų110.229%0.29155%0.55SS.*EExtended strand (participates in β ladder)trans-123161.2171.7-71.5-72.6-168.5160.40109.8H23 L25 F129 E131K3-H23 HydrophobicContact CB-CB 4.49Å; K3-H23 PolarHBondContact N-O 2.94Å; K3-H23 PolarHBondContact O-N 2.79Å; K3-L25 HydrophobicContact CG-CD1 3.84Å; K3-L25 HydrophobicContact CG-CG 4.39Å; K3-F129 HydrophobicContact CB-CE1 4.46Å; K3-F129 HydrophobicContact CG-CE1 4.17Å; K3-E131 WeakPolarHBondContact CD-OE1 3.34Å; K3-E131 VanDerWaalsContact CE-OE1 3.26Å; K3-E131 WeakPolarHBondContact CE-OE1 3.42Å; K3-E131 IonicContact NZ-OE1 2.7Å; K3-E131 PolarHBondContact NZ-OE1 3.43Å
4S86.6Confident81.4Confident85 Ų85106.4 Ų106.459%0.59455%0.552SS**EExtended strand (participates in β ladder)trans-113.9117.2175.161.50000110.9R21S4-R21 CarbonylContact C-O 3.53Å; S4-R21 WeakPolarHBondContact CA-O 3.27Å
5K84Confident81.5Confident82 Ų82101.3 Ų101.336%0.35754%0.536SS..EExtended strand (participates in β ladder)trans-91.5112.6174-166.9167.2-172.2165.50108.9R21 E123K5-R21 PolarHBondContact N-O 3.41Å; K5-R21 PolarHBondContact O-N 3.36Å; K5-E123 IonicContact NZ-OE2 3.22Å; K5-E123 PolarHBondContact NZ-OE2 3.03Å
6T84.4Confident81.8Confident70 Ų70101.6 Ų101.643%0.42954%0.543SS..EExtended strand (participates in β ladder)trans-105.5128.1179.5-59.40000109.8K18 V19 V20T6-K18 HydrophobicContact CG2-CD 4.22Å; T6-K18 HydrophobicContact CG2-CG 3.94Å; T6-V19 WeakPolarHBondContact CA-O 3.36Å; T6-V20 HydrophobicContact CG2-CG2 4.19Å
7F83.6Confident82.2Confident75 Ų75101.2 Ų101.233%0.32954%0.54SS..EExtended strand (participates in β ladder)trans-144.8160.6174.162.2-85.2000111.3K9 V19 R21F7-K9 HydrophobicContact CE2-CB 4.44Å; F7-V19 HydrophobicContact CD2-CB 4.37Å; F7-V19 HydrophobicContact CE1-CB 4.14Å; F7-V19 HydrophobicContact CE1-CG1 3.91Å; F7-V19 HydrophobicContact CE2-CB 3.95Å; F7-V19 HydrophobicContact CE2-CG1 4.25Å; F7-V19 HydrophobicContact CE2-CG2 4.29Å; F7-V19 HydrophobicContact CZ-CB 3.83Å; F7-V19 HydrophobicContact CZ-CG1 3.64Å; F7-V19 HydrophobicContact CZ-CG2 4.48Å; F7-V19 PolarHBondContact N-O 2.76Å; F7-V19 PolarHBondContact O-N 2.99Å; F7-R21 HydrophobicContact CE1-CG 4.24Å
8V85.1Confident82.7Confident100 Ų100103.9 Ų103.961%0.60655%0.547SS*.EExtended strand (participates in β ladder)trans-105.7128.8-178.8-179.50000108.9V16V8-V16 HydrophobicContact CG1-CG1 3.11Å
9K81.8Confident83Confident131 Ų13199.9 Ų99.957%0.5753%0.527SS*.EExtended strand (participates in β ladder)trans-120.8133.8178.6-176.4180177.4-177.60109.9F7 L17 V19F7-K9 HydrophobicContact CE2-CB 4.44Å; K9-L17 PolarHBondContact N-O 3.15Å; K9-L17 PolarHBondContact O-N 3.19Å; K9-V19 HydrophobicContact CB-CG2 4.44Å
10K77.8Confident83.4Confident166 Ų16699.4 Ų99.472%0.72253%0.527SS*.EExtended strand (participates in β ladder)trans-74.9131.6168.2-70.3-177179.4-179.80110.1G15K10-G15 CarbonylContact C-O 3.53Å; K10-G15 VanDerWaalsContact CA-O 3.31Å; K10-G15 WeakPolarHBondContact CA-O 3.47Å
11T79.9Confident83.7Confident53 Ų53102.2 Ų102.233%0.32553%0.531SS..  trans-76.4163.1172.367.20000110.1S13 G14 G15 L17T11-S13 PolarHBondContact O-N 3.06Å; T11-S13 PolarHBondContact OG1-OG 2.76Å; T11-G14 PolarHBondContact O-N 3.19Å; T11-G15 PolarHBondContact N-O 3.46Å; T11-G15 WeakPolarHBondContact OG1-CA 3.42Å; T11-G15 PolarHBondContact OG1-N 2.95Å; T11-G15 PolarHBondContact OG1-O 3.06Å; T11-L17 HydrophobicContact CG2-CB 4.14Å
12R67.8Low84Confident269 Ų269102.1 Ų102.1100%1.01553%0.529SS*.THydrogen-bonded Turntrans-60.1-25.7175.3-71.9-175.1175.5-179.5-1.2112.7G14R12-G14 VanDerWaalsContact C-N 3.3Å
13S73.9Confident84.1Confident113 Ų11398.6 Ų98.679%0.7951%0.51SS*.THydrogen-bonded Turntrans-83.94.6174.8540000114.2T11 G15T11-S13 PolarHBondContact O-N 3.06Å; T11-S13 PolarHBondContact OG1-OG 2.76Å; S13-G15 VanDerWaalsContact C-N 3.29Å; S13-G15 PolarHBondContact O-N 3.17Å
14G71.9Confident84.3Confident56 Ų56101.6 Ų101.658%0.57752%0.52SS*.SBendtrans81.80.6-179.800000115.1T11 R12T11-G14 PolarHBondContact O-N 3.19Å; R12-G14 VanDerWaalsContact C-N 3.3Å
15G82Confident84.6Confident31 Ų3198 Ų9832%0.3249%0.494SS..  trans-70159.5171.900000112.4K10 T11 S13K10-G15 CarbonylContact C-O 3.53Å; K10-G15 VanDerWaalsContact CA-O 3.31Å; K10-G15 WeakPolarHBondContact CA-O 3.47Å; T11-G15 PolarHBondContact N-O 3.46Å; T11-G15 WeakPolarHBondContact OG1-CA 3.42Å; T11-G15 PolarHBondContact OG1-N 2.95Å; T11-G15 PolarHBondContact OG1-O 3.06Å; S13-G15 VanDerWaalsContact C-N 3.29Å; S13-G15 PolarHBondContact O-N 3.17Å
16V86.4Confident85Confident105 Ų105100.2 Ų100.264%0.63650%0.5SS*.EExtended strand (participates in β ladder)trans-110.4115.3-179.2-179.40000108.7V8V8-V16 HydrophobicContact CG1-CG1 3.11Å
17L89.3Confident85.1Confident96 Ų96101.1 Ų101.150%0.50350%0.503SS..EExtended strand (participates in β ladder)trans-108.3126.1179.7-172.278.5000110K9 T11 V19K9-L17 PolarHBondContact N-O 3.15Å; K9-L17 PolarHBondContact O-N 3.19Å; T11-L17 HydrophobicContact CG2-CB 4.14Å; L17-V19 HydrophobicContact CD2-CG2 3.88Å; L17-V19 HydrophobicContact CG-CG2 4.28Å
18K90.5Very high85.4Confident150 Ų150101.7 Ų101.765%0.65251%0.509SS*.EExtended strand (participates in β ladder)trans-80.7121.1167.8-172.7179.3-178.7-178.30108.7T6T6-K18 HydrophobicContact CG2-CD 4.22Å; T6-K18 HydrophobicContact CG2-CG 3.94Å
19V88.8Confident85.6Confident28 Ų2897.6 Ų97.617%0.1748%0.484CS..EExtended strand (participates in β ladder)trans-109.3125177-178.60000108.4T6 F7 K9 L17 R21T6-V19 WeakPolarHBondContact CA-O 3.36Å; F7-V19 HydrophobicContact CD2-CB 4.37Å; F7-V19 HydrophobicContact CE1-CB 4.14Å; F7-V19 HydrophobicContact CE1-CG1 3.91Å; F7-V19 HydrophobicContact CE2-CB 3.95Å; F7-V19 HydrophobicContact CE2-CG1 4.25Å; F7-V19 HydrophobicContact CE2-CG2 4.29Å; F7-V19 HydrophobicContact CZ-CB 3.83Å; F7-V19 HydrophobicContact CZ-CG1 3.64Å; F7-V19 HydrophobicContact CZ-CG2 4.48Å; F7-V19 PolarHBondContact N-O 2.76Å; F7-V19 PolarHBondContact O-N 2.99Å; K9-V19 HydrophobicContact CB-CG2 4.44Å; L17-V19 HydrophobicContact CD2-CG2 3.88Å; L17-V19 HydrophobicContact CG-CG2 4.28Å; V19-R21 HydrophobicContact CG1-CG 4.01Å
20V90.2Very high85.9Confident89 Ų8995.6 Ų95.654%0.53947%0.473SS..EExtended strand (participates in β ladder)trans-110.5122.3172.4-174.80000107.1T6T6-V20 HydrophobicContact CG2-CG2 4.19Å
21R90.4Very high86.4Confident159 Ų15987.7 Ų87.760%0.644%0.438SS*.EExtended strand (participates in β ladder)trans-117.9138.7175.2-69.3-172.8177.5-178-4.9110.2S4 K5 F7 V19S4-R21 CarbonylContact C-O 3.53Å; S4-R21 WeakPolarHBondContact CA-O 3.27Å; K5-R21 PolarHBondContact N-O 3.41Å; K5-R21 PolarHBondContact O-N 3.36Å; F7-R21 HydrophobicContact CE1-CG 4.24Å; V19-R21 HydrophobicContact CG1-CG 4.01Å
22E92.3Very high86.7Confident129 Ų12985.2 Ų85.260%0.60342%0.423SS*.EExtended strand (participates in β ladder)trans-65.3139.1165.3-69178.9179.900109.8L2 Y24L2-E22 HydrophobicContact CD1-CB 3.87Å; L2-E22 HydrophobicContact CD1-CG 4.2Å; E22-Y24 HydrophobicContact CB-CE2 3.89Å; E22-Y24 PolarHBondContact OE2-OH 3.43Å
23H90.4Very high87.6Confident17 Ų1772.4 Ų72.48%0.07938%0.375CS..EExtended strand (participates in β ladder)trans-133.6106.5179.1-167.579.6000108.9K3 E123 H124 F129K3-H23 HydrophobicContact CB-CB 4.49Å; K3-H23 PolarHBondContact N-O 2.94Å; K3-H23 PolarHBondContact O-N 2.79Å; H23-E123 PolarHBondContact NE2-O 2.91Å; H23-H124 AromaticContact CE1-CE1 3.4Å; H23-H124 PolarHBondContact CE1-CE1 2.94Å; H23-H124 VanDerWaalsContact CE1-CE1 3.4Å; H23-H124 AromaticContact CE1-ND1 3.59Å; H23-H124 AromaticContact ND1-CE1 3.77Å; H23-H124 AromaticContact NE2-ND1 3.84Å; H23-F129 AromaticContact CD2-CD2 3.89Å; H23-F129 AromaticContact CD2-CE2 3.44Å; H23-F129 VanDerWaalsContact CD2-CE2 3.44Å; H23-F129 WeakPolarHBondContact CD2-CE2 3.49Å; H23-F129 AromaticContact CD2-CZ 3.87Å; H23-F129 AromaticContact NE2-CD2 3.54Å; H23-F129 AromaticContact NE2-CE2 3.38Å; H23-F129 WeakPolarHBondContact NE2-CE2 3.36Å
24Y93Very high88Confident129 Ų12972.2 Ų72.251%0.50636%0.362SS..EExtended strand (participates in β ladder)trans-85.3128-177.6-65.8-92.5000110.1L2 E22 H124L2-Y24 HydrophobicContact CD1-CD1 4Å; L2-Y24 HydrophobicContact CD1-CD2 4.32Å; L2-Y24 HydrophobicContact CD1-CE1 3.82Å; L2-Y24 HydrophobicContact CD1-CE2 4.12Å; L2-Y24 HydrophobicContact CD1-CG 4.25Å; E22-Y24 HydrophobicContact CB-CE2 3.89Å; E22-Y24 PolarHBondContact OE2-OH 3.43Å; Y24-H124 PolarHBondContact O-ND1 3.03Å
25L92.6Very high88.5Confident10 Ų1071 Ų715%0.05234%0.343CS..  trans-102.4128.9172.4-56.2-178.8000109.7M1 K3 H124 R126 F129M1-L25 HydrophobicContact CB-CB 4.17Å; M1-L25 PolarHBondContact N-O 2.96Å; M1-L25 WeakPolarHBondContact O-CB 3.37Å; M1-L25 PolarHBondContact O-N 2.61Å; M1-L25 HydrophobicContact SD-CD1 4.26Å; K3-L25 HydrophobicContact CG-CD1 3.84Å; K3-L25 HydrophobicContact CG-CG 4.39Å; L25-H124 CarbonylContact C-O 3.58Å; L25-H124 WeakPolarHBondContact CA-O 3.35Å; L25-R126 HydrophobicContact CB-CB 4.43Å; L25-F129 HydrophobicContact CD1-CB 4.33Å; L25-F129 HydrophobicContact CD1-CD1 3.72Å; L25-F129 HydrophobicContact CD1-CE1 4.33Å; L25-F129 HydrophobicContact CD1-CG 4.19Å; L25-F129 HydrophobicContact CD2-CB 3.54Å; L25-F129 HydrophobicContact CD2-CD1 3.77Å; L25-F129 HydrophobicContact CD2-CD2 3.84Å; L25-F129 HydrophobicContact CD2-CE1 4.41Å; L25-F129 HydrophobicContact CD2-CE2 4.47Å; L25-F129 HydrophobicContact CD2-CG 3.42Å; L25-F129 VanDerWaalsContact CD2-CG 3.42Å; L25-F129 HydrophobicContact CG-CD1 4.34Å; L25-F129 HydrophobicContact CG-CG 4.43Å
26R92Very high88.6Confident128 Ų12870.5 Ų70.548%0.48333%0.334SS..BIsolated β-bridgetrans-119148.9-170.2-75.2-178.572.8177.94.8110.1D28 I29 H124 R126R26-D28 VanDerWaalsContact CB-OD1 3.29Å; R26-D28 WeakPolarHBondContact CB-OD1 3.17Å; R26-D28 IonicContact CZ-OD1 3.43Å; R26-D28 IonicContact CZ-OD2 3.34Å; R26-D28 IonicContact NE-OD1 2.81Å; R26-D28 PolarHBondContact NE-OD1 3.46Å; R26-D28 IonicContact NE-OD2 3.58Å; R26-D28 VanDerWaalsContact NH2-CG 3.3Å; R26-D28 IonicContact NH2-OD1 3.73Å; R26-D28 PolarHBondContact NH2-OD1 3.05Å; R26-D28 IonicContact NH2-OD2 3.93Å; R26-D28 PolarHBondContact NH2-OD2 2.67Å; R26-I29 HydrophobicContact CB-CD1 3.87Å; R26-I29 HydrophobicContact CB-CG1 4.17Å; R26-H124 PolarHBondContact N-O 3.08Å; R26-R126 PolarHBondContact O-N 2.88Å
27D88.5Confident88.2Confident90 Ų9071.6 Ų71.648%0.48134%0.341SS..SBendtrans-111.1-3.5178.2-58.8-33.4000111.7R126D27-R126 VanDerWaalsContact CG-CZ 3.46Å; D27-R126 WeakPolarHBondContact OD1-CB 3.38Å; D27-R126 WeakPolarHBondContact OD1-CD 3.33Å; D27-R126 IonicContact OD1-CZ 3.68Å; D27-R126 IonicContact OD1-NE 3.7Å; D27-R126 PolarHBondContact OD1-NE 2.82Å; D27-R126 IonicContact OD1-NH1 3.05Å; D27-R126 PolarHBondContact OD1-NH1 3.49Å; D27-R126 IonicContact OD1-NH2 3.8Å; D27-R126 IonicContact OD2-CZ 2.71Å; D27-R126 IonicContact OD2-NE 3.72Å; D27-R126 IonicContact OD2-NH1 4Å; D27-R126 PolarHBondContact OD2-NH1 3.2Å
28D88.4Confident87.7Confident86 Ų8674 Ų7446%0.4635%0.35SS..  trans-102.224.5-177.863.5-29000112.4R26R26-D28 VanDerWaalsContact CB-OD1 3.29Å; R26-D28 WeakPolarHBondContact CB-OD1 3.17Å; R26-D28 IonicContact CZ-OD1 3.43Å; R26-D28 IonicContact CZ-OD2 3.34Å; R26-D28 IonicContact NE-OD1 2.81Å; R26-D28 PolarHBondContact NE-OD1 3.46Å; R26-D28 IonicContact NE-OD2 3.58Å; R26-D28 VanDerWaalsContact NH2-CG 3.3Å; R26-D28 IonicContact NH2-OD1 3.73Å; R26-D28 PolarHBondContact NH2-OD1 3.05Å; R26-D28 IonicContact NH2-OD2 3.93Å; R26-D28 PolarHBondContact NH2-OD2 2.67Å
29I88.9Confident87.3Confident15 Ų1568.1 Ų68.18%0.07733%0.327CS..  trans-90.2121.8173.6-66.9161.8000108.2R26 F120 T121 H124 H125R26-I29 HydrophobicContact CB-CD1 3.87Å; R26-I29 HydrophobicContact CB-CG1 4.17Å; I29-F120 HydrophobicContact CG2-CD2 4.02Å; I29-F120 HydrophobicContact CG2-CE2 3.66Å; I29-F120 HydrophobicContact CG2-CZ 4.37Å; I29-T121 WeakPolarHBondContact CD1-OG1 3.43Å; I29-T121 VanDerWaalsContact CG2-OG1 3.24Å; I29-T121 WeakPolarHBondContact CG2-OG1 3.38Å; I29-H124 VanDerWaalsContact CD1-C 3.41Å; I29-H124 HydrophobicContact CD1-CB 3.86Å; I29-H124 WeakPolarHBondContact CD1-O 3.37Å; I29-H125 HydrophobicContact CB-CB 4.37Å; I29-H125 HydrophobicContact CD1-CB 3.69Å; I29-H125 HydrophobicContact CG2-CB 4.49Å
30W89.4Confident86.3Confident89 Ų8975.7 Ų75.734%0.33736%0.358SS..  trans-80.2155.6-177.7-53.5-28.5000112C39 K40 Q41 D42 Y118 F120W30-C39 HydrophobicContact CB-CB 4.47Å; W30-K40 VanDerWaalsContact CE2-O 3.23Å; W30-K40 WeakPolarHBondContact CZ2-O 3.33Å; W30-K40 PolarHBondContact NE1-O 2.76Å; W30-Q41 HydrophobicContact CB-CG 4.04Å; W30-Q41 HydrophobicContact CG-CG 4.15Å; W30-D42 HydrophobicContact CH2-CB 4.25Å; W30-D42 HydrophobicContact CZ3-CB 4.48Å; W30-Y118 PolarHBondContact O-OH 3.32Å; W30-F120 WeakPolarHBondContact O-CD2 3.46Å
31C87Confident85.3Confident0 Ų073.1 Ų73.10%034%0.34CS..  trans-86-13.3175.969.80000113.3S33 C36 Q41 Y118 W152 Y153C31-S33 PolarHBondContact O-N 3.12Å; C31-C36 WeakPolarHBondContact SG-CB 3.41Å; C31-C36 VanDerWaalsContact SG-SG 3.69Å; C31-Q41 PolarHBondContact SG-NE2 3.18Å; C31-Q41 VanDerWaalsContact SG-NE2 3.4Å; C31-Y118 WeakPolarHBondContact O-CE1 3.42Å; C31-W152 HydrophobicContact CB-CH2 4.1Å; C31-W152 HydrophobicContact CB-CZ3 4.22Å; C31-Y153 HydrophobicContact CB-CE1 3.75Å; C31-Y153 WeakPolarHBondContact O-CE1 3.19Å; C31-Y153 PolarHBondContact O-OH 3.15Å
32G86.6Confident83.9Confident1 Ų172.6 Ų72.61%0.0135%0.349CS..  trans75.21.8176.900000115.3Q41 V45 L46G32-Q41 VanDerWaalsContact CA-OE1 3.28Å; G32-V45 PolarHBondContact O-N 3.25Å; G32-V45 VanDerWaalsContact O-N 3.14Å; G32-L46 PolarHBondContact O-N 2.97Å
33S86.6Confident82.7Confident0 Ų070.4 Ų70.40%035%0.348CS..BIsolated β-bridgetrans-90.5135.2-178.8179.90000112.3C31 V35 C36 Q41 Y62C31-S33 PolarHBondContact O-N 3.12Å; S33-V35 PolarHBondContact O-N 3.01Å; S33-V35 PolarHBondContact OG-N 2.7Å; S33-C36 PolarHBondContact O-N 3.23Å; S33-Q41 PolarHBondContact O-NE2 2.98Å; S33-Y62 WeakPolarHBondContact OG-CE2 3.42Å; S33-Y62 PolarHBondContact OG-OH 2.94Å
34E83.1Confident82.1Confident109 Ų10973.4 Ų73.451%0.50937%0.368SS..THydrogen-bonded Turntrans-62.1-27.3171.5-176.2-179.1-165.500113.5C36 T44 L46 R48E34-C36 VanDerWaalsContact C-N 3.28Å; E34-C36 PolarHBondContact O-N 3.5Å; E34-T44 HydrophobicContact CB-CG2 4.27Å; E34-L46 WeakPolarHBondContact CB-O 3.46Å; E34-L46 PolarHBondContact N-O 3.3Å; E34-L46 VanDerWaalsContact N-O 3.09Å; E34-R48 PolarHBondContact OE2-N 3.29Å
35V82.1Confident81.5Confident30 Ų3069.5 Ų69.518%0.18236%0.357CS..THydrogen-bonded Turntrans-79.3-14.5-176.6-172.80000112S33 T37 R48 L167S33-V35 PolarHBondContact O-N 3.01Å; S33-V35 PolarHBondContact OG-N 2.7Å; V35-T37 PolarHBondContact O-N 2.92Å; V35-R48 HydrophobicContact CG2-CB 3.75Å; V35-R48 HydrophobicContact CG2-CG 3.72Å; V35-L167 HydrophobicContact CG2-CD2 4.15Å
36C83.2Confident81.1Confident20 Ų2069.1 Ų69.114%0.13536%0.355CS..  trans-81.8122.5-176.7178.10000112.1C31 S33 E34 E38 C39 H156 L157C31-C36 WeakPolarHBondContact SG-CB 3.41Å; C31-C36 VanDerWaalsContact SG-SG 3.69Å; S33-C36 PolarHBondContact O-N 3.23Å; E34-C36 VanDerWaalsContact C-N 3.28Å; E34-C36 PolarHBondContact O-N 3.5Å; C36-E38 PolarHBondContact SG-N 3.01Å; C36-E38 VanDerWaalsContact SG-N 3.42Å; C36-C39 PolarHBondContact SG-N 2.93Å; C36-C39 VanDerWaalsContact SG-SG 3.64Å; C36-H156 VanDerWaalsContact SG-CE1 3.59Å; C36-H156 PolarHBondContact SG-NE2 3.1Å; C36-L157 HydrophobicContact CB-CD2 4.3Å
37T78.1Confident80.7Confident128 Ų12866.8 Ų66.879%0.78535%0.35SS*.SBendtrans-95.3-12.5175.355.10000113.7V35V35-T37 PolarHBondContact O-N 2.92Å
38E80.6Confident80Confident148 Ų14869.6 Ų69.669%0.69235%0.354SS*.SBendtrans-86.9-37.9-176.4-63.8-174.216400112.8C36 H156C36-E38 PolarHBondContact SG-N 3.01Å; C36-E38 VanDerWaalsContact SG-N 3.42Å; E38-H156 IonicContact OE2-CE1 2.82Å; E38-H156 PolarHBondContact OE2-CE1 3.08Å; E38-H156 IonicContact OE2-ND1 3.9Å; E38-H156 PolarHBondContact OE2-ND1 3.47Å
39C81.8Confident78.9Confident26 Ų2671.1 Ų71.118%0.17636%0.362CS..SBendtrans-76.3125.4176.6-64.30000110W30 C36 Q41 H156W30-C39 HydrophobicContact CB-CB 4.47Å; C36-C39 PolarHBondContact SG-N 2.93Å; C36-C39 VanDerWaalsContact SG-SG 3.64Å; C39-Q41 VanDerWaalsContact C-N 3.34Å; C39-Q41 HydrophobicContact CB-CG 3.69Å; C39-Q41 PolarHBondContact O-N 2.66Å; C39-H156 PolarHBondContact SG-NE2 3.21Å
40K67Low77.5Confident186 Ų18671.3 Ų71.381%0.80937%0.366SS*.  trans-77.480.8171.2-65.9-176.4-180-178.30110.2W30W30-K40 VanDerWaalsContact CE2-O 3.23Å; W30-K40 WeakPolarHBondContact CZ2-O 3.33Å; W30-K40 PolarHBondContact NE1-O 2.76Å
41Q69.8Low75.9Confident35 Ų3571.5 Ų71.516%0.16438%0.38CS..  trans-91.2133.9-175.9-48.7-175.631.200111.4W30 C31 G32 S33 C39W30-Q41 HydrophobicContact CB-CG 4.04Å; W30-Q41 HydrophobicContact CG-CG 4.15Å; C31-Q41 PolarHBondContact SG-NE2 3.18Å; C31-Q41 VanDerWaalsContact SG-NE2 3.4Å; G32-Q41 VanDerWaalsContact CA-OE1 3.28Å; S33-Q41 PolarHBondContact O-NE2 2.98Å; C39-Q41 VanDerWaalsContact C-N 3.34Å; C39-Q41 HydrophobicContact CB-CG 3.69Å; C39-Q41 PolarHBondContact O-N 2.66Å
42D61.1Low75.1Confident148 Ų14872.3 Ų72.379%0.79138%0.384SS*.SBendtrans-83.4-23.9173-69.1-31.8000112.7W30W30-D42 HydrophobicContact CH2-CB 4.25Å; W30-D42 HydrophobicContact CZ3-CB 4.48Å
43S67.5Low74.3Confident84 Ų8478.6 Ų78.659%0.58741%0.413SS*.SBendtrans-150.113117659.40000111.5
44T77.4Confident73.9Confident80 Ų8078.8 Ų78.849%0.49141%0.414SS..  trans-95.3129.8178.9520000109.7E34E34-T44 HydrophobicContact CB-CG2 4.27Å
45V80.3Confident73.5Confident47 Ų4777.7 Ų77.729%0.28542%0.419SS..  trans-103.3-41.4-179.3179.40000111.2G32 H116 Y118G32-V45 PolarHBondContact O-N 3.25Å; G32-V45 VanDerWaalsContact O-N 3.14Å; V45-H116 WeakPolarHBondContact O-CB 3.47Å; V45-H116 PolarHBondContact O-ND1 3.45Å; V45-Y118 HydrophobicContact CB-CD2 4.14Å; V45-Y118 HydrophobicContact CG2-CD2 4.14Å
46L83.6Confident73.5Confident1 Ų179.5 Ų79.51%0.00543%0.427CS..BIsolated β-bridgetrans-89.4128.4-179.2-55.2163.8000110.2G32 E34 Y62 N84 I86 H116 Y118G32-L46 PolarHBondContact O-N 2.97Å; E34-L46 WeakPolarHBondContact CB-O 3.46Å; E34-L46 PolarHBondContact N-O 3.3Å; E34-L46 VanDerWaalsContact N-O 3.09Å; L46-Y62 HydrophobicContact CB-CE1 3.99Å; L46-Y62 HydrophobicContact CB-CE2 4.19Å; L46-Y62 HydrophobicContact CD1-CD2 4.24Å; L46-Y62 HydrophobicContact CD1-CE2 4.03Å; L46-N84 HydrophobicContact CD2-CB 4.43Å; L46-I86 HydrophobicContact CD1-CD1 3.97Å; L46-I86 HydrophobicContact CD1-CG1 3.63Å; L46-I86 HydrophobicContact CD2-CG1 4.26Å; L46-H116 WeakPolarHBondContact CD2-O 3.33Å; L46-Y118 HydrophobicContact CD1-CD1 4.4Å; L46-Y118 HydrophobicContact CD1-CG 4.46Å
47Q83.4Confident73.2Confident79 Ų7978.6 Ų78.637%0.36942%0.421SS..  trans-92.6158.2-177.1-65.4-177.2-2800112.1Y62 N84 H116Q47-Y62 VanDerWaalsContact O-CE1 3.26Å; Q47-Y62 WeakPolarHBondContact O-CE1 3.25Å; Q47-Y62 PolarHBondContact O-OH 2.96Å; Q47-Y62 VanDerWaalsContact O-OH 3.13Å; Q47-N84 PolarHBondContact N-OD1 2.95Å; Q47-N84 VanDerWaalsContact N-OD1 3.1Å; Q47-N84 PolarHBondContact O-ND2 3.16Å; Q47-H116 PolarHBondContact NE2-CE1 3.22Å; Q47-H116 VanDerWaalsContact NE2-CE1 3.29Å; Q47-H116 PolarHBondContact OE1-NE2 3.39Å
48R73.6Confident73.1Confident149 Ų14977.7 Ų77.756%0.56242%0.417SS*.SBendtrans-70.8-43175.3-173.6178.4177.7154.20113.8E34 V35E34-R48 PolarHBondContact OE2-N 3.29Å; V35-R48 HydrophobicContact CG2-CB 3.75Å; V35-R48 HydrophobicContact CG2-CG 3.72Å
49D64.9Low73Confident118 Ų11871.9 Ų71.963%0.63139%0.389SS*.  trans-111.427.9-163.5-62.3-33.1000114.6C51D49-C51 PolarHBondContact O-N 3.09Å
50A59.4Low73.1Confident19 Ų1972.2 Ų72.216%0.15739%0.391CS..  trans-74.378.5172.300000109.4I52 R83 N84A50-I52 PolarHBondContact O-N 2.83Å; A50-R83 HydrophobicContact CB-CB 4.31Å; A50-N84 HydrophobicContact CB-CB 4.4Å; A50-N84 WeakPolarHBondContact CB-ND2 3.44Å
51C57.2Low74Confident94 Ų9463.9 Ų63.964%0.63536%0.355SS*.  trans-68.1100.9178.2-91.10000110.1D49D49-C51 PolarHBondContact O-N 3.09Å
52I69.5Low75Confident17 Ų1762.2 Ų62.29%0.08735%0.347CS..  trans-81.4107.9153.3-58.7174.7000105.9A50 S54 L63 L199A50-I52 PolarHBondContact O-N 2.83Å; I52-S54 PolarHBondContact O-N 2.92Å; I52-S54 VanDerWaalsContact O-N 3.13Å; I52-L63 HydrophobicContact CD1-CD1 4.14Å; I52-L199 HydrophobicContact CG2-CD2 3.26Å
53E69.9Low76.5Confident133 Ų13355.3 Ų55.362%0.62131%0.31SS*.  trans-68.3110.5178.7-66.4-173.1174.400109.8I200E53-I200 HydrophobicContact CB-CB 4.16Å; E53-I200 PolarHBondContact O-N 2.79Å
54S77.4Confident77.8Confident4 Ų451.3 Ų51.33%0.02828%0.282CS..BIsolated β-bridgetrans-126.6138.1179169.20000110.1I52 L56 C57 S198I52-S54 PolarHBondContact O-N 2.92Å; I52-S54 VanDerWaalsContact O-N 3.13Å; S54-L56 VanDerWaalsContact C-N 3.31Å; S54-L56 PolarHBondContact OG-N 3.47Å; S54-L56 VanDerWaalsContact OG-N 3.08Å; S54-C57 CarbonylContact O-C 3.53Å; S54-C57 VanDerWaalsContact O-C 3.31Å; S54-C57 PolarHBondContact OG-N 3.19Å; S54-C57 VanDerWaalsContact OG-N 3.08Å; S54-S198 PolarHBondContact OG-OG 3.19Å
55S76.2Confident78.6Confident86 Ų8647.6 Ų47.660%0.60126%0.259SS*.SBendtrans-69.8-26.817155.30000113.1S198S55-S198 PolarHBondContact N-O 2.87Å; S55-S198 WeakPolarHBondContact OG-CB 3.44Å; S55-S198 PolarHBondContact OG-O 2.84Å
56L80.7Confident79.2Confident67 Ų6745.4 Ų45.435%0.35125%0.246SC..SBendtrans-80.7-37.3174.6-79.1172000111.9S54 P58 Y190 E194 S198S54-L56 VanDerWaalsContact C-N 3.31Å; S54-L56 PolarHBondContact OG-N 3.47Å; S54-L56 VanDerWaalsContact OG-N 3.08Å; L56-P58 WeakPolarHBondContact O-CD 3.27Å; L56-Y190 HydrophobicContact CD1-CD1 4.31Å; L56-Y190 HydrophobicContact CD2-CE1 4.2Å; L56-E194 WeakPolarHBondContact CD1-O 3.27Å; L56-S198 VanDerWaalsContact CG-CB 3.43Å
57C77.9Confident79.5Confident1 Ų145.5 Ų45.51%0.00725%0.247CC..  trans-122.481.8-178-63.30000110.6S54 Y59S54-C57 CarbonylContact O-C 3.53Å; S54-C57 VanDerWaalsContact O-C 3.31Å; S54-C57 PolarHBondContact OG-N 3.19Å; S54-C57 VanDerWaalsContact OG-N 3.08Å; C57-Y59 HydrophobicContact CB-CE2 4.23Å; C57-Y59 PolarHBondContact O-N 2.72Å
58P75.5Confident79.7Confident110 Ų11043.4 Ų43.471%0.71424%0.238SC*.  trans-74.7-4.2179.630.9-36.4000113.8L56L56-P58 WeakPolarHBondContact O-CD 3.27Å
59Y79.2Confident80.4Confident26 Ų2636.3 Ų36.310%0.10221%0.211CC..SBendtrans-105.3156-179.245.9-96.9000111C57 H61 K168C57-Y59 HydrophobicContact CB-CE2 4.23Å; C57-Y59 PolarHBondContact O-N 2.72Å; Y59-H61 HydrophobicContact CD2-CB 4.26Å; Y59-H61 HydrophobicContact CE2-CB 4.23Å; Y59-H61 PolarHBondContact O-N 2.79Å; Y59-H61 PolarHBondContact O-ND1 3.09Å; Y59-K168 HydrophobicContact CD2-CB 3.91Å; Y59-K168 HydrophobicContact CD2-CD 3.85Å; Y59-K168 HydrophobicContact CD2-CG 3.76Å; Y59-K168 HydrophobicContact CE1-CD 4.23Å; Y59-K168 HydrophobicContact CE2-CB 3.61Å; Y59-K168 HydrophobicContact CE2-CD 3.49Å; Y59-K168 VanDerWaalsContact CE2-CD 3.49Å; Y59-K168 HydrophobicContact CE2-CG 3.72Å; Y59-K168 HydrophobicContact CG-CD 4.37Å
60P82.9Confident81.6Confident32 Ų3230.7 Ų30.721%0.20818%0.181CC..  trans-55.9136.4172.3-23.934.1000111.1L167 K168P60-L167 HydrophobicContact CB-CD1 3.86Å; P60-L167 VanDerWaalsContact O-CA 3.31Å; P60-L167 WeakPolarHBondContact O-CA 3.42Å; P60-K168 PolarHBondContact O-N 3.33Å
61H87Confident82.7Confident11 Ų1131.1 Ų31.15%0.05118%0.181CC..EExtended strand (participates in β ladder)trans-151.2156.6-177.857.8-82.2000114.1Y59 K168 V170 Y195Y59-H61 HydrophobicContact CD2-CB 4.26Å; Y59-H61 HydrophobicContact CE2-CB 4.23Å; Y59-H61 PolarHBondContact O-N 2.79Å; Y59-H61 PolarHBondContact O-ND1 3.09Å; H61-K168 CarbonylContact C-O 3.52Å; H61-K168 WeakPolarHBondContact CA-O 3.33Å; H61-K168 WeakPolarHBondContact CB-O 3.28Å; H61-V170 HydrophobicContact CB-CG2 4.03Å; H61-Y195 AromaticContact NE2-CE2 3.72Å; H61-Y195 AromaticContact NE2-CZ 3.71Å; H61-Y195 PolarHBondContact NE2-OH 2.99Å
62Y90.1Very high83.9Confident0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-104.7141.1170.3-64.8-23000111S33 L46 Q47 N84 I86 L157 L167 K168 V169 V170S33-Y62 WeakPolarHBondContact OG-CE2 3.42Å; S33-Y62 PolarHBondContact OG-OH 2.94Å; L46-Y62 HydrophobicContact CB-CE1 3.99Å; L46-Y62 HydrophobicContact CB-CE2 4.19Å; L46-Y62 HydrophobicContact CD1-CD2 4.24Å; L46-Y62 HydrophobicContact CD1-CE2 4.03Å; Q47-Y62 VanDerWaalsContact O-CE1 3.26Å; Q47-Y62 WeakPolarHBondContact O-CE1 3.25Å; Q47-Y62 PolarHBondContact O-OH 2.96Å; Q47-Y62 VanDerWaalsContact O-OH 3.13Å; Y62-N84 HydrophobicContact CD1-CB 3.8Å; Y62-N84 HydrophobicContact CE1-CB 4.09Å; Y62-I86 HydrophobicContact CD2-CD1 3.94Å; Y62-I86 HydrophobicContact CG-CD1 4.25Å; Y62-L157 HydrophobicContact CD2-CD1 3.82Å; Y62-L157 HydrophobicContact CE2-CD1 3.77Å; Y62-L167 HydrophobicContact CD1-CD1 4.2Å; Y62-L167 HydrophobicContact CD2-CD2 4.22Å; Y62-L167 HydrophobicContact CE1-CD1 4.01Å; Y62-L167 HydrophobicContact CE1-CD2 4.28Å; Y62-L167 HydrophobicContact CE2-CD2 3.66Å; Y62-K168 PolarHBondContact N-O 3.33Å; Y62-V169 HydrophobicContact CD2-CG2 4.43Å; Y62-V170 PolarHBondContact O-N 2.86Å
63L92.3Very high84.8Confident3 Ų331 Ų312%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-99.3131.8-179.8-59.3177.5000110.8I52 I82 N84 V85 I86 V170 L172 Y195I52-L63 HydrophobicContact CD1-CD1 4.14Å; L63-I82 HydrophobicContact CD1-CG2 4.18Å; L63-N84 PolarHBondContact N-O 2.62Å; L63-N84 VanDerWaalsContact N-O 3.16Å; L63-V85 HydrophobicContact CB-CG2 4.32Å; L63-V85 CarbonylContact O-C 3.39Å; L63-V85 WeakPolarHBondContact O-CA 3.45Å; L63-I86 PolarHBondContact O-N 3.3Å; L63-V170 HydrophobicContact CD2-CB 4.23Å; L63-V170 HydrophobicContact CD2-CG1 4.49Å; L63-L172 HydrophobicContact CB-CD1 4.4Å; L63-L172 HydrophobicContact CD1-CD1 4.33Å; L63-L172 HydrophobicContact CD2-CD1 4.07Å; L63-L172 HydrophobicContact CD2-CG 4.39Å; L63-L172 HydrophobicContact CG-CD1 4.5Å; L63-Y195 HydrophobicContact CD1-CE1 3.95Å; L63-Y195 HydrophobicContact CD2-CE1 4.12Å; L63-Y195 HydrophobicContact CD2-CE2 4.02Å
64V94.4Very high85.6Confident1 Ų124.9 Ų24.91%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-120.299.1172.9-173.90000107.9I86 L88 V150 V169 V170 L171 L172V64-I86 HydrophobicContact CG2-CB 4.11Å; V64-I86 HydrophobicContact CG2-CD1 4.34Å; V64-L88 HydrophobicContact CG1-CD1 3.92Å; V64-L88 HydrophobicContact CG1-CG 4.03Å; V64-V150 HydrophobicContact CB-CG2 3.9Å; V64-V150 HydrophobicContact CG1-CG2 3.75Å; V64-V150 HydrophobicContact CG2-CG2 4.06Å; V64-V169 HydrophobicContact CG2-CG1 3.54Å; V64-V170 PolarHBondContact N-O 2.87Å; V64-L171 WeakPolarHBondContact O-CA 3.49Å; V64-L171 WeakPolarHBondContact O-CD1 3.34Å; V64-L172 PolarHBondContact O-N 3.42Å
65P94.3Very high86Confident1 Ų126 Ų261%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-79.3142.3178.431.6-34.2000111.5V69 V70 V85 I86 I87P65-V69 HydrophobicContact CB-CB 4.14Å; P65-V69 HydrophobicContact CB-CG1 3.87Å; P65-V70 HydrophobicContact CB-CG2 3.96Å; P65-V70 HydrophobicContact CG-CG2 3.89Å; P65-V85 HydrophobicContact CG-CG1 3.88Å; P65-I86 WeakPolarHBondContact CD-O 3.33Å; P65-I87 HydrophobicContact CG-CD1 3.62Å
66D93.3Very high86.5Confident1 Ų121.9 Ų21.91%0.00512%0.119CC..  trans-74.5164169.5-165.6-3.1000111.5N68 V69 V70 I146 L172 T173 N178D66-N68 VanDerWaalsContact C-N 3.32Å; D66-N68 PolarHBondContact O-N 3.49Å; D66-V69 HydrophobicContact CB-CG2 4.43Å; D66-V69 WeakPolarHBondContact O-CB 3.46Å; D66-V69 PolarHBondContact O-N 3.42Å; D66-V69 VanDerWaalsContact O-N 3.13Å; D66-V70 PolarHBondContact O-N 2.82Å; D66-V70 VanDerWaalsContact O-N 3.15Å; D66-I146 VanDerWaalsContact OD1-CD1 3.31Å; D66-I146 WeakPolarHBondContact OD1-CD1 3.47Å; D66-L172 VanDerWaalsContact CB-O 3.29Å; D66-L172 WeakPolarHBondContact CB-O 3.47Å; D66-L172 PolarHBondContact N-O 2.9Å; D66-T173 WeakPolarHBondContact OD2-CB 3.29Å; D66-T173 PolarHBondContact OD2-OG1 2.89Å; D66-N178 PolarHBondContact OD2-ND2 3.33Å
67T89.9Confident86.8Confident3 Ų318.9 Ų18.92%0.01810%0.103CC..Hα-helixtrans-53.6-46.1179.2-60.30000112.3V69 V70 L71 E94 V95T67-V69 VanDerWaalsContact C-N 3.29Å; T67-V69 PolarHBondContact O-N 2.9Å; T67-V70 PolarHBondContact O-N 2.86Å; T67-L71 HydrophobicContact CG2-CD1 3.83Å; T67-L71 HydrophobicContact CG2-CG 4.36Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 2.98Å; T67-E94 HydrophobicContact CG2-CB 3.9Å; T67-E94 HydrophobicContact CG2-CG 3.64Å; T67-E94 PolarHBondContact OG1-OE2 2.93Å; T67-V95 HydrophobicContact CG2-CG2 4.23Å
68N87.4Confident87.1Confident36 Ų3621.7 Ų21.719%0.19312%0.116CC..Hα-helixtrans-66.1-33.2-178.1-69.5-30.7000112.2D66 L71 H72D66-N68 VanDerWaalsContact C-N 3.32Å; D66-N68 PolarHBondContact O-N 3.49Å; N68-L71 PolarHBondContact O-N 3.11Å; N68-H72 WeakPolarHBondContact O-CB 3.3Å; N68-H72 PolarHBondContact O-CD2 3.42Å; N68-H72 PolarHBondContact O-N 3.2Å; N68-H72 VanDerWaalsContact O-N 3.11Å
69V89.4Confident87.6Confident0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-64.3-49.4175.2173.70000109.6P65 D66 T67 L71 H72 Q73 L172 F192P65-V69 HydrophobicContact CB-CB 4.14Å; P65-V69 HydrophobicContact CB-CG1 3.87Å; D66-V69 HydrophobicContact CB-CG2 4.43Å; D66-V69 WeakPolarHBondContact O-CB 3.46Å; D66-V69 PolarHBondContact O-N 3.42Å; D66-V69 VanDerWaalsContact O-N 3.13Å; T67-V69 VanDerWaalsContact C-N 3.29Å; T67-V69 PolarHBondContact O-N 2.9Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 PolarHBondContact O-N 3.42Å; V69-H72 PolarHBondContact O-N 3.01Å; V69-Q73 HydrophobicContact CG1-CB 4.39Å; V69-Q73 WeakPolarHBondContact O-CA 3.4Å; V69-Q73 VanDerWaalsContact O-CB 3.29Å; V69-Q73 WeakPolarHBondContact O-CB 3.4Å; V69-Q73 PolarHBondContact O-N 3.28Å; V69-L172 WeakPolarHBondContact CG2-O 3.27Å; V69-F192 HydrophobicContact CB-CD2 4.37Å; V69-F192 HydrophobicContact CG1-CB 4.4Å; V69-F192 HydrophobicContact CG1-CD1 4.5Å; V69-F192 HydrophobicContact CG1-CD2 3.22Å; V69-F192 HydrophobicContact CG1-CE2 3.45Å; V69-F192 VanDerWaalsContact CG1-CE2 3.45Å; V69-F192 HydrophobicContact CG1-CG 3.8Å; V69-F192 HydrophobicContact CG1-CZ 4.18Å; V69-F192 HydrophobicContact CG2-CB 4.03Å; V69-F192 HydrophobicContact CG2-CD2 4.23Å; V69-F192 HydrophobicContact CG2-CG 4.34Å
70V89.2Confident87.6Confident0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-63.2-34.8179.8179.80000112.4P65 D66 T67 I74 L77 V91 V95 V102 L106P65-V70 HydrophobicContact CB-CG2 3.96Å; P65-V70 HydrophobicContact CG-CG2 3.89Å; D66-V70 PolarHBondContact O-N 2.82Å; D66-V70 VanDerWaalsContact O-N 3.15Å; T67-V70 PolarHBondContact O-N 2.86Å; V70-I74 WeakPolarHBondContact O-CB 3.34Å; V70-L77 HydrophobicContact CB-CD1 4.47Å; V70-L77 HydrophobicContact CG2-CD1 4.09Å; V70-V91 HydrophobicContact CB-CG1 4.45Å; V70-V91 HydrophobicContact CG2-CG1 3.91Å; V70-V95 HydrophobicContact CB-CG2 4.08Å; V70-V95 HydrophobicContact CG1-CG1 4.37Å; V70-V95 HydrophobicContact CG1-CG2 3.78Å; V70-V102 HydrophobicContact CG1-CG1 4.23Å; V70-V102 WeakPolarHBondContact O-CG1 3.42Å; V70-L106 HydrophobicContact CG1-CD1 4.17Å; V70-L106 HydrophobicContact CG1-CD2 3.76Å; V70-L106 HydrophobicContact CG1-CG 4.43Å
71L82.9Confident87.7Confident27 Ų2721.7 Ų21.714%0.14112%0.115CC..Hα-helixtrans-73-37.8-179.8-73.8171.5000113.9T67 N68 V69 V95 R98 V102T67-L71 HydrophobicContact CG2-CD1 3.83Å; T67-L71 HydrophobicContact CG2-CG 4.36Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 2.98Å; N68-L71 PolarHBondContact O-N 3.11Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 PolarHBondContact O-N 3.42Å; L71-V95 HydrophobicContact CD2-CB 4.45Å; L71-V95 HydrophobicContact CD2-CG1 4.12Å; L71-V95 HydrophobicContact CD2-CG2 4.24Å; L71-V95 HydrophobicContact CG-CG2 4.27Å; L71-R98 HydrophobicContact CD1-CB 4.22Å; L71-R98 HydrophobicContact CD2-CB 4.21Å; L71-V102 HydrophobicContact CD2-CG1 4.49Å
72H83.3Confident87.7Confident102 Ų10221.2 Ų21.247%0.47211%0.113SC..Hα-helixtrans-103.6-22.7-170.4-63.6-58.8000113.5N68 V69 A210N68-H72 WeakPolarHBondContact O-CB 3.3Å; N68-H72 PolarHBondContact O-CD2 3.42Å; N68-H72 PolarHBondContact O-N 3.2Å; N68-H72 VanDerWaalsContact O-N 3.11Å; V69-H72 PolarHBondContact O-N 3.01Å; H72-A210 WeakPolarHBondContact O-CB 3.48Å
73Q87.9Confident87.6Confident8 Ų826.6 Ų26.64%0.03713%0.134CC..  trans-122.428.6-172.4-52.9-67.7-12.700111.5V69 D75 V76 L77 F192 A210V69-Q73 HydrophobicContact CG1-CB 4.39Å; V69-Q73 WeakPolarHBondContact O-CA 3.4Å; V69-Q73 VanDerWaalsContact O-CB 3.29Å; V69-Q73 WeakPolarHBondContact O-CB 3.4Å; V69-Q73 PolarHBondContact O-N 3.28Å; Q73-D75 PolarHBondContact O-N 3.28Å; Q73-V76 PolarHBondContact O-N 3.27Å; Q73-L77 PolarHBondContact O-N 3.46Å; Q73-L77 VanDerWaalsContact O-N 3.11Å; Q73-F192 HydrophobicContact CB-CD1 3.89Å; Q73-F192 HydrophobicContact CB-CE1 3.45Å; Q73-F192 VanDerWaalsContact CB-CE1 3.45Å; Q73-F192 HydrophobicContact CB-CZ 3.9Å; Q73-F192 HydrophobicContact CG-CD1 3.59Å; Q73-F192 HydrophobicContact CG-CE1 3.68Å; Q73-F192 HydrophobicContact CG-CG 4.35Å; Q73-A210 PolarHBondContact NE2-O 3.46Å
74I86.9Confident87.4Confident4 Ų426.6 Ų26.62%0.02113%0.134CC..Hα-helixtrans-61.4-33.3179.9-170.663000111.7V70 V76 L77 E78 V102 R105 L106 I109V70-I74 WeakPolarHBondContact O-CB 3.34Å; I74-V76 VanDerWaalsContact C-N 3.32Å; I74-V76 PolarHBondContact O-N 3.37Å; I74-L77 HydrophobicContact CD1-CB 4.49Å; I74-L77 CarbonylContact O-C 3.5Å; I74-L77 PolarHBondContact O-N 3.28Å; I74-E78 WeakPolarHBondContact O-CB 3.38Å; I74-E78 WeakPolarHBondContact O-CG 3.36Å; I74-E78 PolarHBondContact O-N 2.99Å; I74-V102 HydrophobicContact CB-CG1 4.23Å; I74-V102 HydrophobicContact CD1-CG1 4.31Å; I74-V102 HydrophobicContact CG1-CG1 4.17Å; I74-R105 HydrophobicContact CG1-CB 4.14Å; I74-R105 VanDerWaalsContact CG2-NH1 3.29Å; I74-L106 HydrophobicContact CD1-CB 4.41Å; I74-L106 HydrophobicContact CD1-CD1 4.48Å; I74-I109 HydrophobicContact CD1-CD1 3.91Å
75D84.5Confident87.3Confident27 Ų2726.6 Ų26.614%0.14413%0.134CC..Hα-helixtrans-65-36.4178.8-58.2-70.5000111.4Q73 E78 R105 H413Q73-D75 PolarHBondContact O-N 3.28Å; D75-E78 PolarHBondContact O-N 2.97Å; D75-R105 IonicContact OD1-CZ 3.89Å; D75-R105 VanDerWaalsContact OD1-CZ 3.3Å; D75-R105 IonicContact OD1-NH1 3.03Å; D75-R105 PolarHBondContact OD1-NH1 2.98Å; D75-R105 IonicContact OD1-NH2 2.87Å; D75-R105 PolarHBondContact OD1-NH2 2.8Å; D75-R105 IonicContact OD2-NH1 3.48Å; D75-H413 IonicContact OD2-CE1 3.14Å; D75-H413 IonicContact OD2-NE2 3.37Å
76V86.5Confident87.3Confident0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-71.4-39.6172.8-175.70000111.6Q73 I74 E78 D79 F192 I196 L205 C208 L209Q73-V76 PolarHBondContact O-N 3.27Å; I74-V76 VanDerWaalsContact C-N 3.32Å; I74-V76 PolarHBondContact O-N 3.37Å; V76-E78 PolarHBondContact O-N 2.91Å; V76-D79 WeakPolarHBondContact O-CB 3.48Å; V76-D79 PolarHBondContact O-N 2.98Å; V76-D79 VanDerWaalsContact O-N 3.1Å; V76-F192 HydrophobicContact CB-CE1 3.96Å; V76-F192 HydrophobicContact CB-CZ 3.94Å; V76-F192 HydrophobicContact CG1-CE1 3.86Å; V76-F192 HydrophobicContact CG1-CZ 3.7Å; V76-F192 HydrophobicContact CG2-CE1 4.21Å; V76-I196 HydrophobicContact CG1-CD1 3.71Å; V76-I196 HydrophobicContact CG1-CG1 4.17Å; V76-L205 HydrophobicContact CG1-CD2 4.49Å; V76-C208 HydrophobicContact CG2-CB 3.88Å; V76-C208 WeakPolarHBondContact CG2-O 3.45Å; V76-L209 HydrophobicContact CG2-CD2 4.44Å
77L87.8Confident87.4Confident3 Ų326.5 Ų26.52%0.01613%0.133CC..Hα-helixtrans-67.4-20.2174.9-66.7175.4000112.7V70 Q73 I74 D79 I82 F192V70-L77 HydrophobicContact CB-CD1 4.47Å; V70-L77 HydrophobicContact CG2-CD1 4.09Å; Q73-L77 PolarHBondContact O-N 3.46Å; Q73-L77 VanDerWaalsContact O-N 3.11Å; I74-L77 HydrophobicContact CD1-CB 4.49Å; I74-L77 CarbonylContact O-C 3.5Å; I74-L77 PolarHBondContact O-N 3.28Å; L77-D79 VanDerWaalsContact C-N 3.29Å; L77-I82 HydrophobicContact CD2-CG2 4.28Å; L77-F192 HydrophobicContact CD2-CE2 4.3Å; L77-F192 HydrophobicContact CD2-CZ 4.49Å
78E85.2Confident87.7Confident60 Ų6026.4 Ų26.428%0.2813%0.132SC..THydrogen-bonded Turntrans-81.4-4.7172.6-82.8-173.5-169.700113.6I74 D75 V76 R105 I109 R115I74-E78 WeakPolarHBondContact O-CB 3.38Å; I74-E78 WeakPolarHBondContact O-CG 3.36Å; I74-E78 PolarHBondContact O-N 2.99Å; D75-E78 PolarHBondContact O-N 2.97Å; V76-E78 PolarHBondContact O-N 2.91Å; E78-R105 WeakPolarHBondContact OE1-CB 3.48Å; E78-R105 IonicContact OE1-CZ 2.59Å; E78-R105 IonicContact OE1-NE 3.77Å; E78-R105 PolarHBondContact OE1-NE 3.35Å; E78-R105 IonicContact OE1-NH2 2.96Å; E78-R105 PolarHBondContact OE1-NH2 3.05Å; E78-R105 VanDerWaalsContact OE1-NH2 3.15Å; E78-R105 IonicContact OE2-CZ 3.07Å; E78-R105 IonicContact OE2-NE 2.69Å; E78-R105 IonicContact OE2-NH2 2.69Å; E78-R105 PolarHBondContact OE2-NH2 2.96Å; E78-I109 HydrophobicContact CG-CD1 3.4Å; E78-I109 VanDerWaalsContact CG-CD1 3.4Å; E78-I109 HydrophobicContact CG-CG1 3.94Å; E78-R115 PolarHBondContact O-NH1 3.43Å; E78-R115 PolarHBondContact O-NH2 2.89Å
79D84.3Confident88Confident49 Ų4926 Ų2626%0.26213%0.129SC..SBendtrans-74.5135174.8-166.9-83.8000112V76 L77 V81 I82 L205V76-D79 WeakPolarHBondContact O-CB 3.48Å; V76-D79 PolarHBondContact O-N 2.98Å; V76-D79 VanDerWaalsContact O-N 3.1Å; L77-D79 VanDerWaalsContact C-N 3.29Å; D79-V81 PolarHBondContact O-N 3.22Å; D79-V81 VanDerWaalsContact O-N 3.14Å; D79-V81 WeakPolarHBondContact OD1-CB 3.45Å; D79-V81 WeakPolarHBondContact OD1-CG2 3.28Å; D79-V81 PolarHBondContact OD1-N 3.09Å; D79-I82 PolarHBondContact O-N 3.06Å; D79-I82 VanDerWaalsContact O-N 3.12Å; D79-L205 HydrophobicContact CB-CD2 3.64Å
80P81.1Confident88.2Confident74 Ų7426.1 Ų26.148%0.48113%0.13SC..THydrogen-bonded Turntrans-61.4-16.6179.3-23.734.2000116I82 R83P80-I82 VanDerWaalsContact C-N 3.32Å; P80-R83 PolarHBondContact O-NE 3.33Å; P80-R83 VanDerWaalsContact O-NE 3.13Å
81V84.8Confident88.4Confident45 Ų4526.1 Ų26.127%0.27313%0.13SC..THydrogen-bonded Turntrans-68-34175175.10000110.7D79 R83 L205D79-V81 PolarHBondContact O-N 3.22Å; D79-V81 VanDerWaalsContact O-N 3.14Å; D79-V81 WeakPolarHBondContact OD1-CB 3.45Å; D79-V81 WeakPolarHBondContact OD1-CG2 3.28Å; D79-V81 PolarHBondContact OD1-N 3.09Å; V81-R83 PolarHBondContact O-N 3.49Å; V81-L205 HydrophobicContact CB-CD1 4.3Å; V81-L205 HydrophobicContact CG1-CD1 4.17Å
82I86.4Confident88.8Confident2 Ų226 Ų261%0.0113%0.13CC..  trans-80.5111.5179.9-55.1-59.3000109.7L63 L77 D79 P80 V85 I196 L199L63-I82 HydrophobicContact CD1-CG2 4.18Å; L77-I82 HydrophobicContact CD2-CG2 4.28Å; D79-I82 PolarHBondContact O-N 3.06Å; D79-I82 VanDerWaalsContact O-N 3.12Å; P80-I82 VanDerWaalsContact C-N 3.32Å; I82-V85 HydrophobicContact CG2-CG2 3.68Å; I82-I196 HydrophobicContact CD1-CD1 4.25Å; I82-L199 HydrophobicContact CD1-CD1 4.36Å
83R87.1Confident89Confident112 Ų11225.1 Ų25.142%0.42313%0.126SC..  trans-130.1167.3179.8-60.1-176-175.1-173.8-0111.1A50 P80 V81 R115A50-R83 HydrophobicContact CB-CB 4.31Å; P80-R83 PolarHBondContact O-NE 3.33Å; P80-R83 VanDerWaalsContact O-NE 3.13Å; V81-R83 PolarHBondContact O-N 3.49Å; R83-R115 WeakPolarHBondContact CA-O 3.43Å
84N89.4Confident89Confident3 Ų325.7 Ų25.72%0.01613%0.129CC..  trans57.757.5177.4-78.9-11.5000113.5L46 Q47 A50 Y62 L63 R115 H116L46-N84 HydrophobicContact CD2-CB 4.43Å; Q47-N84 PolarHBondContact N-OD1 2.95Å; Q47-N84 VanDerWaalsContact N-OD1 3.1Å; Q47-N84 PolarHBondContact O-ND2 3.16Å; A50-N84 HydrophobicContact CB-CB 4.4Å; A50-N84 WeakPolarHBondContact CB-ND2 3.44Å; Y62-N84 HydrophobicContact CD1-CB 3.8Å; Y62-N84 HydrophobicContact CE1-CB 4.09Å; L63-N84 PolarHBondContact N-O 2.62Å; L63-N84 VanDerWaalsContact N-O 3.16Å; N84-R115 PolarHBondContact N-O 2.87Å; N84-H116 WeakPolarHBondContact CA-O 3.45Å; N84-H116 WeakPolarHBondContact OD1-CB 3.39Å
85V92.6Very high88.9Confident1 Ų125.5 Ų25.51%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-106.9130.2-178.5-173.10000110.5L63 P65 I82 I87 H116 F117 Y118L63-V85 HydrophobicContact CB-CG2 4.32Å; L63-V85 CarbonylContact O-C 3.39Å; L63-V85 WeakPolarHBondContact O-CA 3.45Å; P65-V85 HydrophobicContact CG-CG1 3.88Å; I82-V85 HydrophobicContact CG2-CG2 3.68Å; V85-I87 HydrophobicContact CG1-CD1 3.8Å; V85-I87 HydrophobicContact CG1-CG1 4.47Å; V85-H116 PolarHBondContact N-O 2.97Å; V85-F117 HydrophobicContact CB-CD1 3.84Å; V85-F117 HydrophobicContact CB-CD2 4.11Å; V85-F117 HydrophobicContact CB-CE1 3.7Å; V85-F117 HydrophobicContact CB-CE2 3.98Å; V85-F117 HydrophobicContact CB-CG 4.05Å; V85-F117 HydrophobicContact CB-CZ 3.78Å; V85-F117 HydrophobicContact CG1-CD1 4.16Å; V85-F117 HydrophobicContact CG1-CE1 3.87Å; V85-F117 HydrophobicContact CG1-CZ 4.3Å; V85-F117 HydrophobicContact CG2-CD2 4.27Å; V85-F117 HydrophobicContact CG2-CE1 3.96Å; V85-F117 HydrophobicContact CG2-CE2 3.69Å; V85-F117 HydrophobicContact CG2-CZ 3.52Å; V85-F117 CarbonylContact O-C 3.57Å; V85-F117 WeakPolarHBondContact O-CA 3.36Å; V85-Y118 PolarHBondContact O-N 2.76Å
86I94.3Very high88.8Confident0 Ų031.4 Ų31.40%015%0.148CC..EExtended strand (participates in β ladder)trans-99.8114.8174.8-60.5163.1000108.7L46 Y62 L63 V64 P65 L88 Y118 F120 Y153L46-I86 HydrophobicContact CD1-CD1 3.97Å; L46-I86 HydrophobicContact CD1-CG1 3.63Å; L46-I86 HydrophobicContact CD2-CG1 4.26Å; Y62-I86 HydrophobicContact CD2-CD1 3.94Å; Y62-I86 HydrophobicContact CG-CD1 4.25Å; L63-I86 PolarHBondContact O-N 3.3Å; V64-I86 HydrophobicContact CG2-CB 4.11Å; V64-I86 HydrophobicContact CG2-CD1 4.34Å; P65-I86 WeakPolarHBondContact CD-O 3.33Å; I86-L88 HydrophobicContact CG2-CD2 4.24Å; I86-Y118 CarbonylContact C-O 3.57Å; I86-Y118 WeakPolarHBondContact CA-O 3.48Å; I86-F120 HydrophobicContact CG2-CB 4.01Å; I86-Y153 HydrophobicContact CD1-CD1 4Å; I86-Y153 HydrophobicContact CD1-CE1 3.71Å; I86-Y153 HydrophobicContact CD1-CE2 4.26Å; I86-Y153 HydrophobicContact CD1-CG 4.38Å; I86-Y153 HydrophobicContact CG2-CE2 4.03Å
87I95.1Very high88.3Confident0 Ų038.6 Ų38.60%018%0.181CC..EExtended strand (participates in β ladder)trans-96.9116.6175.2-57-58.6000109.1P65 V85 L92 L106 I110 F117 Y118 T119 F120P65-I87 HydrophobicContact CG-CD1 3.62Å; V85-I87 HydrophobicContact CG1-CD1 3.8Å; V85-I87 HydrophobicContact CG1-CG1 4.47Å; I87-L92 HydrophobicContact CG2-CB 4.21Å; I87-L106 HydrophobicContact CD1-CD1 4Å; I87-L106 HydrophobicContact CG1-CD1 4.16Å; I87-L106 HydrophobicContact CG2-CD2 4.09Å; I87-I110 HydrophobicContact CG1-CD1 4.47Å; I87-F117 HydrophobicContact CD1-CD1 4.31Å; I87-F117 HydrophobicContact CD1-CE1 4.48Å; I87-F117 HydrophobicContact CG1-CD1 4.04Å; I87-Y118 PolarHBondContact N-O 2.71Å; I87-T119 CarbonylContact O-C 3.56Å; I87-T119 VanDerWaalsContact O-CA 3.27Å; I87-T119 WeakPolarHBondContact O-CA 3.43Å; I87-F120 PolarHBondContact O-N 3.12Å
88L95.9Very high87.6Confident1 Ų145 Ų451%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-75.9146.1177.7-60178.5000111.3V64 I86 T90 V91 L92 F120 N122 I146 A149V64-L88 HydrophobicContact CG1-CD1 3.92Å; V64-L88 HydrophobicContact CG1-CG 4.03Å; I86-L88 HydrophobicContact CG2-CD2 4.24Å; L88-T90 VanDerWaalsContact C-N 3.26Å; L88-T90 PolarHBondContact O-N 3.22Å; L88-V91 HydrophobicContact CB-CG2 4.21Å; L88-V91 PolarHBondContact O-N 3.44Å; L88-V91 VanDerWaalsContact O-N 3.17Å; L88-L92 PolarHBondContact O-N 3.32Å; L88-F120 HydrophobicContact CD2-CB 4.19Å; L88-F120 HydrophobicContact CD2-CD1 3.82Å; L88-F120 HydrophobicContact CD2-CG 4.49Å; L88-N122 HydrophobicContact CD2-CB 4.35Å; L88-I146 HydrophobicContact CD1-CB 4.01Å; L88-I146 HydrophobicContact CD1-CG1 3.88Å; L88-I146 HydrophobicContact CD1-CG2 3.87Å; L88-A149 HydrophobicContact CD1-CB 3.83Å; L88-A149 HydrophobicContact CD2-CB 3.87Å
89Q94.3Very high87Confident27 Ų2743.8 Ų43.813%0.12620%0.203CC..Hα-helixtrans-59.2-36.1176.9178.4-174.67.600112.3L92 Q93 F120 N122 H124Q89-L92 PolarHBondContact O-N 3.13Å; Q89-Q93 HydrophobicContact CG-CG 4.43Å; Q89-Q93 WeakPolarHBondContact O-CB 3.31Å; Q89-Q93 WeakPolarHBondContact O-CG 3.49Å; Q89-Q93 PolarHBondContact O-N 3.13Å; Q89-F120 PolarHBondContact N-O 2.79Å; Q89-N122 WeakPolarHBondContact CB-OD1 3.45Å; Q89-N122 PolarHBondContact N-OD1 2.76Å; Q89-N122 VanDerWaalsContact N-OD1 3.14Å; Q89-H124 PolarHBondContact NE2-CD2 3.31Å; Q89-H124 PolarHBondContact OE1-CD2 2.81Å
90T92.9Very high86.2Confident4 Ų444.7 Ų44.73%0.02522%0.217CC..Hα-helixtrans-59.2-49174.8-51.40000111.3L88 Q93 E94 N122 E123 N142L88-T90 VanDerWaalsContact C-N 3.26Å; L88-T90 PolarHBondContact O-N 3.22Å; T90-Q93 PolarHBondContact O-N 3.48Å; T90-E94 PolarHBondContact O-N 3.08Å; T90-N122 PolarHBondContact N-OD1 2.84Å; T90-N122 PolarHBondContact OG1-ND2 2.97Å; T90-N122 PolarHBondContact OG1-OD1 2.81Å; T90-E123 PolarHBondContact OG1-OE1 3.44Å; T90-N142 HydrophobicContact CG2-CB 3.75Å; T90-N142 WeakPolarHBondContact CG2-OD1 3.49Å
91V92.4Very high85.5Confident0 Ų045.5 Ų45.50%022%0.222CC..Hα-helixtrans-60.7-48.5176.7173.20000110.5V70 L88 Q93 E94 V95 I146V70-V91 HydrophobicContact CB-CG1 4.45Å; V70-V91 HydrophobicContact CG2-CG1 3.91Å; L88-V91 HydrophobicContact CB-CG2 4.21Å; L88-V91 PolarHBondContact O-N 3.44Å; L88-V91 VanDerWaalsContact O-N 3.17Å; V91-Q93 VanDerWaalsContact C-N 3.32Å; V91-Q93 PolarHBondContact O-N 3.31Å; V91-E94 PolarHBondContact O-N 2.98Å; V91-E94 VanDerWaalsContact O-N 3.16Å; V91-V95 HydrophobicContact CG1-CG2 4.24Å; V91-V95 VanDerWaalsContact O-CG2 3.27Å; V91-V95 WeakPolarHBondContact O-CG2 3.45Å; V91-V95 PolarHBondContact O-N 3.46Å; V91-I146 HydrophobicContact CG2-CD1 3.63Å; V91-I146 HydrophobicContact CG2-CG1 4.04Å
92L91.3Very high85.1Confident25 Ų2544 Ų4413%0.13121%0.214CC..Hα-helixtrans-59.8-40.2-179.8-175.263.9000112.6I87 L88 Q89 R96 Y103 L106 T119I87-L92 HydrophobicContact CG2-CB 4.21Å; L88-L92 PolarHBondContact O-N 3.32Å; Q89-L92 PolarHBondContact O-N 3.13Å; L92-R96 WeakPolarHBondContact O-CB 3.28Å; L92-R96 PolarHBondContact O-N 3.2Å; L92-R96 VanDerWaalsContact O-N 3.1Å; L92-Y103 HydrophobicContact CD1-CD2 3.7Å; L92-Y103 HydrophobicContact CD1-CE2 3.51Å; L92-Y103 HydrophobicContact CG-CD2 4.35Å; L92-Y103 HydrophobicContact CG-CE2 3.82Å; L92-L106 HydrophobicContact CD1-CD2 3.72Å; L92-L106 HydrophobicContact CD1-CG 4.49Å; L92-T119 HydrophobicContact CD2-CG2 3.89Å
93Q88.1Confident84.9Confident82 Ų8245.9 Ų45.938%0.38322%0.221SC..Hα-helixtrans-70-38.6176.3-75.2-177.520.200112.5Q89 T90 V91 R96 H97Q89-Q93 HydrophobicContact CG-CG 4.43Å; Q89-Q93 WeakPolarHBondContact O-CB 3.31Å; Q89-Q93 WeakPolarHBondContact O-CG 3.49Å; Q89-Q93 PolarHBondContact O-N 3.13Å; T90-Q93 PolarHBondContact O-N 3.48Å; V91-Q93 VanDerWaalsContact C-N 3.32Å; V91-Q93 PolarHBondContact O-N 3.31Å; Q93-R96 WeakPolarHBondContact O-CB 3.17Å; Q93-R96 PolarHBondContact O-N 2.93Å; Q93-H97 PolarHBondContact O-N 3.4Å; Q93-H97 PolarHBondContact O-ND1 2.93Å
94E88.3Confident84.3Confident21 Ų2145.9 Ų45.910%0.09822%0.224CC..Hα-helixtrans-68.3-44.9179-169.1169.4177.100111.6T67 T90 V91 R96 H97 R98 N142T67-E94 HydrophobicContact CG2-CB 3.9Å; T67-E94 HydrophobicContact CG2-CG 3.64Å; T67-E94 PolarHBondContact OG1-OE2 2.93Å; T90-E94 PolarHBondContact O-N 3.08Å; V91-E94 PolarHBondContact O-N 2.98Å; V91-E94 VanDerWaalsContact O-N 3.16Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 3Å; E94-H97 PolarHBondContact O-N 3.46Å; E94-H97 VanDerWaalsContact O-N 3.08Å; E94-R98 HydrophobicContact CG-CG 4.42Å; E94-R98 PolarHBondContact O-N 3.34Å; E94-R98 IonicContact OE1-CZ 3.39Å; E94-R98 IonicContact OE1-NE 3.39Å; E94-R98 PolarHBondContact OE1-NE 2.87Å; E94-R98 IonicContact OE1-NH2 3.67Å; E94-R98 PolarHBondContact OE1-NH2 2.65Å; E94-N142 PolarHBondContact OE2-ND2 3.41Å
95V84.8Confident83.9Confident0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-58-42.7173.8175.50000110.5T67 V70 L71 V91 H97 R98 S99 V102T67-V95 HydrophobicContact CG2-CG2 4.23Å; V70-V95 HydrophobicContact CB-CG2 4.08Å; V70-V95 HydrophobicContact CG1-CG1 4.37Å; V70-V95 HydrophobicContact CG1-CG2 3.78Å; L71-V95 HydrophobicContact CD2-CB 4.45Å; L71-V95 HydrophobicContact CD2-CG1 4.12Å; L71-V95 HydrophobicContact CD2-CG2 4.24Å; L71-V95 HydrophobicContact CG-CG2 4.27Å; V91-V95 HydrophobicContact CG1-CG2 4.24Å; V91-V95 VanDerWaalsContact O-CG2 3.27Å; V91-V95 WeakPolarHBondContact O-CG2 3.45Å; V91-V95 PolarHBondContact O-N 3.46Å; V95-H97 VanDerWaalsContact C-N 3.28Å; V95-H97 PolarHBondContact O-N 3.05Å; V95-R98 PolarHBondContact O-N 2.68Å; V95-S99 CarbonylContact O-C 3.33Å; V95-S99 PolarHBondContact O-N 2.89Å; V95-S99 VanDerWaalsContact O-O 3.08Å; V95-V102 HydrophobicContact CG1-CB 4.12Å; V95-V102 HydrophobicContact CG1-CG1 3.76Å
96R82.2Confident83.6Confident151 Ų15148.9 Ų48.957%0.5724%0.235SC*.Hα-helixtrans-57-39175.5-175.1-177.5174.7-176-1.1113.2L92 Q93 E94 Y103L92-R96 WeakPolarHBondContact O-CB 3.28Å; L92-R96 PolarHBondContact O-N 3.2Å; L92-R96 VanDerWaalsContact O-N 3.1Å; Q93-R96 WeakPolarHBondContact O-CB 3.17Å; Q93-R96 PolarHBondContact O-N 2.93Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 3Å; R96-Y103 HydrophobicContact CB-CD1 4.4Å; R96-Y103 HydrophobicContact CB-CD2 3.61Å; R96-Y103 HydrophobicContact CB-CE2 3.81Å; R96-Y103 HydrophobicContact CB-CG 3.9Å; R96-Y103 HydrophobicContact CG-CD1 4.13Å; R96-Y103 HydrophobicContact CG-CD2 4.16Å; R96-Y103 HydrophobicContact CG-CE1 4.08Å; R96-Y103 HydrophobicContact CG-CE2 4.12Å; R96-Y103 HydrophobicContact CG-CG 4.14Å
97H75.4Confident83.2Confident150 Ų15052.6 Ų52.669%0.69425%0.251SS*.Hα-helixtrans-80.5-32.2-179.4-66128.5000112.8Q93 E94 V95Q93-H97 PolarHBondContact O-N 3.4Å; Q93-H97 PolarHBondContact O-ND1 2.93Å; E94-H97 PolarHBondContact O-N 3.46Å; E94-H97 VanDerWaalsContact O-N 3.08Å; V95-H97 VanDerWaalsContact C-N 3.28Å; V95-H97 PolarHBondContact O-N 3.05Å
98R74.5Confident82.5Confident139 Ų13956.9 Ų56.953%0.52527%0.274SS..Hα-helixtrans-84.9-43.3-178.8-71.5-175.8-179.2-137.512.6113.1L71 E94 V95L71-R98 HydrophobicContact CD1-CB 4.22Å; L71-R98 HydrophobicContact CD2-CB 4.21Å; E94-R98 HydrophobicContact CG-CG 4.42Å; E94-R98 PolarHBondContact O-N 3.34Å; E94-R98 IonicContact OE1-CZ 3.39Å; E94-R98 IonicContact OE1-NE 3.39Å; E94-R98 PolarHBondContact OE1-NE 2.87Å; E94-R98 IonicContact OE1-NH2 3.67Å; E94-R98 PolarHBondContact OE1-NH2 2.65Å; V95-R98 PolarHBondContact O-N 2.68Å
99S71.8Confident82.1Confident34 Ų3457.1 Ų57.124%0.23828%0.275CS..  trans-146.6101.9-176.6-175.50000112.3V95 V102 Y103V95-S99 CarbonylContact O-C 3.33Å; V95-S99 PolarHBondContact O-N 2.89Å; V95-S99 VanDerWaalsContact O-O 3.08Å; S99-V102 PolarHBondContact O-N 2.83Å; S99-V102 VanDerWaalsContact OG-CG2 3.31Å; S99-V102 WeakPolarHBondContact OG-CG2 3.28Å; S99-V102 PolarHBondContact OG-N 3.43Å; S99-Y103 WeakPolarHBondContact O-CB 3.48Å; S99-Y103 PolarHBondContact O-N 3.39Å
100A68.6Low81.7Confident68 Ų6857.7 Ų57.756%0.56228%0.278SS*.Hα-helixtrans-60.5-38.217500000114.1Y103 K104A100-Y103 PolarHBondContact O-N 2.97Å; A100-K104 PolarHBondContact O-N 2.92Å
101P66.4Low81.1Confident90 Ų9064.4 Ų64.458%0.58431%0.309SS*.Hα-helixtrans-62.4-46.9175-24.335000113.1Y103 K104 R105P101-Y103 VanDerWaalsContact C-N 3.32Å; P101-Y103 PolarHBondContact O-N 2.91Å; P101-K104 WeakPolarHBondContact O-CB 3.39Å; P101-K104 PolarHBondContact O-N 2.8Å; P101-K104 VanDerWaalsContact O-N 3.12Å; P101-R105 PolarHBondContact O-N 3.23Å
102V75.4Confident80.5Confident15 Ų1569.1 Ų69.19%0.09133%0.331CS..Hα-helixtrans-64.8-38.9178.5176.70000110.7V70 L71 I74 V95 S99 K104 R105 L106V70-V102 HydrophobicContact CG1-CG1 4.23Å; V70-V102 WeakPolarHBondContact O-CG1 3.42Å; L71-V102 HydrophobicContact CD2-CG1 4.49Å; I74-V102 HydrophobicContact CB-CG1 4.23Å; I74-V102 HydrophobicContact CD1-CG1 4.31Å; I74-V102 HydrophobicContact CG1-CG1 4.17Å; V95-V102 HydrophobicContact CG1-CB 4.12Å; V95-V102 HydrophobicContact CG1-CG1 3.76Å; S99-V102 PolarHBondContact O-N 2.83Å; S99-V102 VanDerWaalsContact OG-CG2 3.31Å; S99-V102 WeakPolarHBondContact OG-CG2 3.28Å; S99-V102 PolarHBondContact OG-N 3.43Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 2.86Å; V102-R105 PolarHBondContact O-N 2.87Å; V102-L106 VanDerWaalsContact O-CB 3.31Å; V102-L106 WeakPolarHBondContact O-CB 3.49Å; V102-L106 PolarHBondContact O-N 3.03Å
103Y81.3Confident79.7Confident40 Ų4076.3 Ų76.316%0.15736%0.364CS..Hα-helixtrans-60.5-37.8173.4173.8-104.3000112.9L92 R96 S99 A100 P101 K107L92-Y103 HydrophobicContact CD1-CD2 3.7Å; L92-Y103 HydrophobicContact CD1-CE2 3.51Å; L92-Y103 HydrophobicContact CG-CD2 4.35Å; L92-Y103 HydrophobicContact CG-CE2 3.82Å; R96-Y103 HydrophobicContact CB-CD1 4.4Å; R96-Y103 HydrophobicContact CB-CD2 3.61Å; R96-Y103 HydrophobicContact CB-CE2 3.81Å; R96-Y103 HydrophobicContact CB-CG 3.9Å; R96-Y103 HydrophobicContact CG-CD1 4.13Å; R96-Y103 HydrophobicContact CG-CD2 4.16Å; R96-Y103 HydrophobicContact CG-CE1 4.08Å; R96-Y103 HydrophobicContact CG-CE2 4.12Å; R96-Y103 HydrophobicContact CG-CG 4.14Å; S99-Y103 WeakPolarHBondContact O-CB 3.48Å; S99-Y103 PolarHBondContact O-N 3.39Å; A100-Y103 PolarHBondContact O-N 2.97Å; P101-Y103 VanDerWaalsContact C-N 3.32Å; P101-Y103 PolarHBondContact O-N 2.91Å; Y103-K107 HydrophobicContact CE1-CD 3.94Å; Y103-K107 HydrophobicContact CE2-CD 4.45Å; Y103-K107 HydrophobicContact CE2-CG 4.48Å; Y103-K107 VanDerWaalsContact CZ-CE 3.43Å; Y103-K107 WeakPolarHBondContact O-CB 3.33Å; Y103-K107 PolarHBondContact O-N 2.97Å; Y103-K107 WeakPolarHBondContact OH-CE 3.43Å; Y103-K107 PolarHBondContact OH-NZ 2.85Å
104K74.9Confident79.1Confident113 Ų11374.6 Ų74.649%0.49137%0.369SS..Hα-helixtrans-66.3-51.3175.1-172.9-172.2171-168.60110.5A100 P101 V102 L106 K107 D108A100-K104 PolarHBondContact O-N 2.92Å; P101-K104 WeakPolarHBondContact O-CB 3.39Å; P101-K104 PolarHBondContact O-N 2.8Å; P101-K104 VanDerWaalsContact O-N 3.12Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 2.86Å; K104-L106 PolarHBondContact O-N 2.75Å; K104-K107 WeakPolarHBondContact O-CA 3.48Å; K104-K107 WeakPolarHBondContact O-CB 3.43Å; K104-K107 PolarHBondContact O-N 2.79Å; K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.39Å
105R82.1Confident78.6Confident67 Ų6775.2 Ų75.225%0.25337%0.37SS..Hα-helixtrans-53.1-51176.1-71176.573.1176.47.5111.7I74 D75 E78 P101 V102 K107 D108 I109I74-R105 HydrophobicContact CG1-CB 4.14Å; I74-R105 VanDerWaalsContact CG2-NH1 3.29Å; D75-R105 IonicContact OD1-CZ 3.89Å; D75-R105 VanDerWaalsContact OD1-CZ 3.3Å; D75-R105 IonicContact OD1-NH1 3.03Å; D75-R105 PolarHBondContact OD1-NH1 2.98Å; D75-R105 IonicContact OD1-NH2 2.87Å; D75-R105 PolarHBondContact OD1-NH2 2.8Å; D75-R105 IonicContact OD2-NH1 3.48Å; E78-R105 WeakPolarHBondContact OE1-CB 3.48Å; E78-R105 IonicContact OE1-CZ 2.59Å; E78-R105 IonicContact OE1-NE 3.77Å; E78-R105 PolarHBondContact OE1-NE 3.35Å; E78-R105 IonicContact OE1-NH2 2.96Å; E78-R105 PolarHBondContact OE1-NH2 3.05Å; E78-R105 VanDerWaalsContact OE1-NH2 3.15Å; E78-R105 IonicContact OE2-CZ 3.07Å; E78-R105 IonicContact OE2-NE 2.69Å; E78-R105 IonicContact OE2-NH2 2.69Å; E78-R105 PolarHBondContact OE2-NH2 2.96Å; P101-R105 PolarHBondContact O-N 3.23Å; V102-R105 PolarHBondContact O-N 2.87Å; R105-K107 VanDerWaalsContact C-N 3.29Å; R105-K107 PolarHBondContact O-N 2.9Å; R105-D108 WeakPolarHBondContact O-CB 3.2Å; R105-D108 PolarHBondContact O-N 3.26Å; R105-I109 WeakPolarHBondContact O-CG1 3.47Å; R105-I109 PolarHBondContact O-N 3.14Å
106L86.4Confident78.7Confident0 Ų076.5 Ų76.50%038%0.376CS..Hα-helixtrans-58.6-39.9176.8-17666.3000112.5V70 I74 I87 L92 V102 K104 I109 I110V70-L106 HydrophobicContact CG1-CD1 4.17Å; V70-L106 HydrophobicContact CG1-CD2 3.76Å; V70-L106 HydrophobicContact CG1-CG 4.43Å; I74-L106 HydrophobicContact CD1-CB 4.41Å; I74-L106 HydrophobicContact CD1-CD1 4.48Å; I87-L106 HydrophobicContact CD1-CD1 4Å; I87-L106 HydrophobicContact CG1-CD1 4.16Å; I87-L106 HydrophobicContact CG2-CD2 4.09Å; L92-L106 HydrophobicContact CD1-CD2 3.72Å; L92-L106 HydrophobicContact CD1-CG 4.49Å; V102-L106 VanDerWaalsContact O-CB 3.31Å; V102-L106 WeakPolarHBondContact O-CB 3.49Å; V102-L106 PolarHBondContact O-N 3.03Å; K104-L106 PolarHBondContact O-N 2.75Å; L106-I109 PolarHBondContact O-N 3.5Å; L106-I110 HydrophobicContact CG-CD1 4.04Å; L106-I110 WeakPolarHBondContact O-CD1 2.94Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.23Å
107K84.9Confident79.2Confident78 Ų7869.6 Ų69.634%0.33935%0.35SS..Hα-helixtrans-64.2-44.3173.6-89.8-165.3162.8-168.30111.9Y103 K104 R105 I109 I110 H111Y103-K107 HydrophobicContact CE1-CD 3.94Å; Y103-K107 HydrophobicContact CE2-CD 4.45Å; Y103-K107 HydrophobicContact CE2-CG 4.48Å; Y103-K107 VanDerWaalsContact CZ-CE 3.43Å; Y103-K107 WeakPolarHBondContact O-CB 3.33Å; Y103-K107 PolarHBondContact O-N 2.97Å; Y103-K107 WeakPolarHBondContact OH-CE 3.43Å; Y103-K107 PolarHBondContact OH-NZ 2.85Å; K104-K107 WeakPolarHBondContact O-CA 3.48Å; K104-K107 WeakPolarHBondContact O-CB 3.43Å; K104-K107 PolarHBondContact O-N 2.79Å; R105-K107 VanDerWaalsContact C-N 3.29Å; R105-K107 PolarHBondContact O-N 2.9Å; K107-I109 VanDerWaalsContact C-N 3.27Å; K107-I109 PolarHBondContact O-N 3.5Å; K107-I110 PolarHBondContact O-N 3.36Å; K107-I110 VanDerWaalsContact O-N 3.12Å; K107-H111 PolarHBondContact O-N 3.23Å; K107-H111 PolarHBondContact O-ND1 2.87Å
108D81.3Confident80Confident90 Ų9064.3 Ų64.348%0.48133%0.325SS..Hα-helixtrans-60-42.1-179.8-62.3-24.9000109.9K104 R105 I110 H111 E112K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.39Å; R105-D108 WeakPolarHBondContact O-CB 3.2Å; R105-D108 PolarHBondContact O-N 3.26Å; D108-I110 PolarHBondContact O-N 3.42Å; D108-H111 PolarHBondContact O-N 2.89Å; D108-E112 PolarHBondContact O-N 3.23Å
109I85.9Confident80.9Confident5 Ų559.7 Ų59.73%0.02631%0.312CS..Hα-helixtrans-58.7-45.9171.9-61.4166.4000112I74 E78 R105 L106 K107 H111 E112 F117I74-I109 HydrophobicContact CD1-CD1 3.91Å; E78-I109 HydrophobicContact CG-CD1 3.4Å; E78-I109 VanDerWaalsContact CG-CD1 3.4Å; E78-I109 HydrophobicContact CG-CG1 3.94Å; R105-I109 WeakPolarHBondContact O-CG1 3.47Å; R105-I109 PolarHBondContact O-N 3.14Å; L106-I109 PolarHBondContact O-N 3.5Å; K107-I109 VanDerWaalsContact C-N 3.27Å; K107-I109 PolarHBondContact O-N 3.5Å; I109-H111 PolarHBondContact O-N 3.18Å; I109-E112 WeakPolarHBondContact O-CB 3.12Å; I109-E112 PolarHBondContact O-N 3.13Å; I109-E112 VanDerWaalsContact O-N 3.09Å; I109-F117 HydrophobicContact CG2-CB 4.45Å; I109-F117 HydrophobicContact CG2-CD1 3.58Å; I109-F117 HydrophobicContact CG2-CD2 3.73Å; I109-F117 HydrophobicContact CG2-CE1 3.57Å; I109-F117 HydrophobicContact CG2-CE2 3.73Å; I109-F117 HydrophobicContact CG2-CG 3.66Å; I109-F117 HydrophobicContact CG2-CZ 3.65Å
110I86.6Confident82Confident39 Ų3958.1 Ų58.120%0.230%0.3CS..Hα-helixtrans-62.8-31.1179.2-69159.6000112I87 L106 K107 D108 E112 F117I87-I110 HydrophobicContact CG1-CD1 4.47Å; L106-I110 HydrophobicContact CG-CD1 4.04Å; L106-I110 WeakPolarHBondContact O-CD1 2.94Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.23Å; K107-I110 PolarHBondContact O-N 3.36Å; K107-I110 VanDerWaalsContact O-N 3.12Å; D108-I110 PolarHBondContact O-N 3.42Å; I110-E112 VanDerWaalsContact C-N 3.3Å; I110-F117 HydrophobicContact CG1-CB 4.01Å
111H81.1Confident83.2Confident145 Ų14557.1 Ų57.167%0.67129%0.287SS*.Hα-helixtrans-80.6-12.8177.7-68.978.1000112.8K107 D108 I109 Q113K107-H111 PolarHBondContact O-N 3.23Å; K107-H111 PolarHBondContact O-ND1 2.87Å; D108-H111 PolarHBondContact O-N 2.89Å; I109-H111 PolarHBondContact O-N 3.18Å; H111-Q113 PolarHBondContact O-N 3.1Å
112E80.1Confident84.5Confident99 Ų9952.9 Ų52.946%0.46326%0.26SS..  trans-82.6101.6177.7-164.6175.8174.800110.7D108 I109 I110 G114 R115D108-E112 PolarHBondContact O-N 3.23Å; I109-E112 WeakPolarHBondContact O-CB 3.12Å; I109-E112 PolarHBondContact O-N 3.13Å; I109-E112 VanDerWaalsContact O-N 3.09Å; I110-E112 VanDerWaalsContact C-N 3.3Å; E112-G114 PolarHBondContact O-N 3.36Å; E112-G114 VanDerWaalsContact O-N 3.12Å; E112-R115 HydrophobicContact CB-CG 4.39Å; E112-R115 HydrophobicContact CG-CG 4.27Å; E112-R115 PolarHBondContact O-N 2.75Å; E112-R115 IonicContact OE1-NE 2.69Å; E112-R115 WeakPolarHBondContact OE2-CD 3.41Å; E112-R115 IonicContact OE2-CZ 2.61Å; E112-R115 IonicContact OE2-NE 3.91Å; E112-R115 PolarHBondContact OE2-NE 2.86Å; E112-R115 IonicContact OE2-NH2 3.74Å
113Q74.3Confident85.3Confident177 Ų17752.7 Ų52.783%0.82726%0.258SS*.G310 helixtrans-59-28.3-173.7-69.4-173.9-22.900114.1H111 R115H111-Q113 PolarHBondContact O-N 3.1Å; Q113-R115 PolarHBondContact O-N 3.08Å
114G74.4Confident85.9Confident46 Ų4653.5 Ų53.547%0.47426%0.263SS..G310 helixtrans-71.1-12.4-178.600000115.2E112E112-G114 PolarHBondContact O-N 3.36Å; E112-G114 VanDerWaalsContact O-N 3.12Å
115R78.5Confident86.8Confident33 Ų3348.6 Ų48.613%0.12524%0.242CC..G310 helixtrans-97.8-15.2-176.1-64-177.1175.1-119.3-0.3114.3E78 R83 N84 E112 Q113 F117E78-R115 PolarHBondContact O-NH1 3.43Å; E78-R115 PolarHBondContact O-NH2 2.89Å; R83-R115 WeakPolarHBondContact CA-O 3.43Å; N84-R115 PolarHBondContact N-O 2.87Å; E112-R115 HydrophobicContact CB-CG 4.39Å; E112-R115 HydrophobicContact CG-CG 4.27Å; E112-R115 PolarHBondContact O-N 2.75Å; E112-R115 IonicContact OE1-NE 2.69Å; E112-R115 WeakPolarHBondContact OE2-CD 3.41Å; E112-R115 IonicContact OE2-CZ 2.61Å; E112-R115 IonicContact OE2-NE 3.91Å; E112-R115 PolarHBondContact OE2-NE 2.86Å; E112-R115 IonicContact OE2-NH2 3.74Å; Q113-R115 PolarHBondContact O-N 3.08Å; R115-F117 HydrophobicContact CB-CD2 3.73Å; R115-F117 HydrophobicContact CB-CE2 3.99Å; R115-F117 WeakPolarHBondContact O-CD2 3.49Å
116H87.7Confident87.2Confident27 Ų2751 Ų5113%0.12525%0.251CS..  trans58.248.7179.7-52-69.3000113.9V45 L46 Q47 N84 V85V45-H116 WeakPolarHBondContact O-CB 3.47Å; V45-H116 PolarHBondContact O-ND1 3.45Å; L46-H116 WeakPolarHBondContact CD2-O 3.33Å; Q47-H116 PolarHBondContact NE2-CE1 3.22Å; Q47-H116 VanDerWaalsContact NE2-CE1 3.29Å; Q47-H116 PolarHBondContact OE1-NE2 3.39Å; N84-H116 WeakPolarHBondContact CA-O 3.45Å; N84-H116 WeakPolarHBondContact OD1-CB 3.39Å; V85-H116 PolarHBondContact N-O 2.97Å
117F91.6Very high87.4Confident6 Ų656.3 Ų56.33%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-92.8121173.1-83.3-123.2000110.2V85 I87 I109 I110 R115V85-F117 HydrophobicContact CB-CD1 3.84Å; V85-F117 HydrophobicContact CB-CD2 4.11Å; V85-F117 HydrophobicContact CB-CE1 3.7Å; V85-F117 HydrophobicContact CB-CE2 3.98Å; V85-F117 HydrophobicContact CB-CG 4.05Å; V85-F117 HydrophobicContact CB-CZ 3.78Å; V85-F117 HydrophobicContact CG1-CD1 4.16Å; V85-F117 HydrophobicContact CG1-CE1 3.87Å; V85-F117 HydrophobicContact CG1-CZ 4.3Å; V85-F117 HydrophobicContact CG2-CD2 4.27Å; V85-F117 HydrophobicContact CG2-CE1 3.96Å; V85-F117 HydrophobicContact CG2-CE2 3.69Å; V85-F117 HydrophobicContact CG2-CZ 3.52Å; V85-F117 CarbonylContact O-C 3.57Å; V85-F117 WeakPolarHBondContact O-CA 3.36Å; I87-F117 HydrophobicContact CD1-CD1 4.31Å; I87-F117 HydrophobicContact CD1-CE1 4.48Å; I87-F117 HydrophobicContact CG1-CD1 4.04Å; I109-F117 HydrophobicContact CG2-CB 4.45Å; I109-F117 HydrophobicContact CG2-CD1 3.58Å; I109-F117 HydrophobicContact CG2-CD2 3.73Å; I109-F117 HydrophobicContact CG2-CE1 3.57Å; I109-F117 HydrophobicContact CG2-CE2 3.73Å; I109-F117 HydrophobicContact CG2-CG 3.66Å; I109-F117 HydrophobicContact CG2-CZ 3.65Å; I110-F117 HydrophobicContact CG1-CB 4.01Å; R115-F117 HydrophobicContact CB-CD2 3.73Å; R115-F117 HydrophobicContact CB-CE2 3.99Å; R115-F117 WeakPolarHBondContact O-CD2 3.49Å
118Y92.3Very high87.8Confident40 Ų4052.6 Ų52.616%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-112.5132.6-178.8-178.4-109.4000111.6W30 C31 V45 L46 V85 I86 I87 F120W30-Y118 PolarHBondContact O-OH 3.32Å; C31-Y118 WeakPolarHBondContact O-CE1 3.42Å; V45-Y118 HydrophobicContact CB-CD2 4.14Å; V45-Y118 HydrophobicContact CG2-CD2 4.14Å; L46-Y118 HydrophobicContact CD1-CD1 4.4Å; L46-Y118 HydrophobicContact CD1-CG 4.46Å; V85-Y118 PolarHBondContact O-N 2.76Å; I86-Y118 CarbonylContact C-O 3.57Å; I86-Y118 WeakPolarHBondContact CA-O 3.48Å; I87-Y118 PolarHBondContact N-O 2.71Å; Y118-F120 HydrophobicContact CD1-CB 4.31Å; Y118-F120 HydrophobicContact CE1-CB 4.05Å; Y118-F120 HydrophobicContact CE1-CD2 4.19Å
119T93.7Very high88.4Confident42 Ų4250 Ų5026%0.25825%0.245SC..EExtended strand (participates in β ladder)trans-94.9115.8174.9-56.30000110.8I87 L92I87-T119 CarbonylContact O-C 3.56Å; I87-T119 VanDerWaalsContact O-CA 3.27Å; I87-T119 WeakPolarHBondContact O-CA 3.43Å; L92-T119 HydrophobicContact CD2-CG2 3.89Å
120F94.7Very high88.6Confident0 Ų050.7 Ų50.70%025%0.248CC..EExtended strand (participates in β ladder)trans-101.1124.4178.6-178.8-105.8000111.7I29 W30 I86 I87 L88 Q89 Y118 N122 H125 T128 W152 Y153I29-F120 HydrophobicContact CG2-CD2 4.02Å; I29-F120 HydrophobicContact CG2-CE2 3.66Å; I29-F120 HydrophobicContact CG2-CZ 4.37Å; W30-F120 WeakPolarHBondContact O-CD2 3.46Å; I86-F120 HydrophobicContact CG2-CB 4.01Å; I87-F120 PolarHBondContact O-N 3.12Å; L88-F120 HydrophobicContact CD2-CB 4.19Å; L88-F120 HydrophobicContact CD2-CD1 3.82Å; L88-F120 HydrophobicContact CD2-CG 4.49Å; Q89-F120 PolarHBondContact N-O 2.79Å; Y118-F120 HydrophobicContact CD1-CB 4.31Å; Y118-F120 HydrophobicContact CE1-CB 4.05Å; Y118-F120 HydrophobicContact CE1-CD2 4.19Å; F120-N122 VanDerWaalsContact C-N 3.29Å; F120-N122 HydrophobicContact CD1-CB 3.76Å; F120-N122 HydrophobicContact CE1-CB 3.77Å; F120-N122 PolarHBondContact O-N 2.74Å; F120-H125 HydrophobicContact CZ-CB 4.15Å; F120-H125 AromaticContact CZ-CG 3.99Å; F120-T128 HydrophobicContact CE1-CG2 4.13Å; F120-T128 HydrophobicContact CZ-CG2 4.42Å; F120-W152 HydrophobicContact CE1-CE3 4.44Å; F120-W152 HydrophobicContact CE1-CZ3 4.41Å; F120-W152 HydrophobicContact CE2-CH2 4.12Å; F120-W152 AromaticContact CE2-CZ3 3.78Å; F120-W152 HydrophobicContact CE2-CZ3 3.78Å; F120-W152 AromaticContact CZ-CE3 3.96Å; F120-W152 HydrophobicContact CZ-CE3 3.96Å; F120-W152 HydrophobicContact CZ-CH2 4.09Å; F120-W152 AromaticContact CZ-CZ3 3.59Å; F120-W152 HydrophobicContact CZ-CZ3 3.59Å; F120-Y153 HydrophobicContact CB-CE2 4.17Å; F120-Y153 AromaticContact CD1-CE2 3.78Å; F120-Y153 HydrophobicContact CD1-CE2 3.78Å; F120-Y153 AromaticContact CD2-CE2 3.93Å; F120-Y153 HydrophobicContact CD2-CE2 3.93Å; F120-Y153 AromaticContact CD2-CZ 3.98Å; F120-Y153 VanDerWaalsContact CD2-OH 3.32Å; F120-Y153 WeakPolarHBondContact CD2-OH 3.31Å; F120-Y153 HydrophobicContact CE1-CE2 4.1Å; F120-Y153 HydrophobicContact CE2-CE2 4.23Å; F120-Y153 AromaticContact CG-CE2 3.69Å; F120-Y153 HydrophobicContact CG-CE2 3.69Å; F120-Y153 HydrophobicContact CZ-CE2 4.32Å
121T94.1Very high88.7Confident47 Ų4754 Ų5429%0.28826%0.263SS..  trans-83.366-17851.90000112.7I29 E123 H124 H125I29-T121 WeakPolarHBondContact CD1-OG1 3.43Å; I29-T121 VanDerWaalsContact CG2-OG1 3.24Å; I29-T121 WeakPolarHBondContact CG2-OG1 3.38Å; T121-E123 VanDerWaalsContact C-N 3.3Å; T121-E123 PolarHBondContact O-N 2.84Å; T121-H124 PolarHBondContact O-N 2.96Å; T121-H125 PolarHBondContact O-N 2.85Å
122N94.2Very high88.8Confident1 Ų154.1 Ų54.11%0.00526%0.257CS..THydrogen-bonded Turntrans-60.1-32.4-176.463.9-44.7000114.5L88 Q89 T90 F120 H124 H125 T128 A149L88-N122 HydrophobicContact CD2-CB 4.35Å; Q89-N122 WeakPolarHBondContact CB-OD1 3.45Å; Q89-N122 PolarHBondContact N-OD1 2.76Å; Q89-N122 VanDerWaalsContact N-OD1 3.14Å; T90-N122 PolarHBondContact N-OD1 2.84Å; T90-N122 PolarHBondContact OG1-ND2 2.97Å; T90-N122 PolarHBondContact OG1-OD1 2.81Å; F120-N122 VanDerWaalsContact C-N 3.29Å; F120-N122 HydrophobicContact CD1-CB 3.76Å; F120-N122 HydrophobicContact CE1-CB 3.77Å; F120-N122 PolarHBondContact O-N 2.74Å; N122-H124 VanDerWaalsContact C-N 3.3Å; N122-H124 PolarHBondContact O-N 3Å; N122-H125 PolarHBondContact O-N 2.8Å; N122-T128 WeakPolarHBondContact CA-OG1 3.3Å; N122-T128 PolarHBondContact O-OG1 3.29Å; N122-A149 HydrophobicContact CB-CB 4.13Å
123E92.1Very high89.2Confident11 Ų1154.5 Ų54.55%0.05126%0.259CS..THydrogen-bonded Turntrans-66.4-31.9178-71-80.8137.600112.1K5 H23 T90 T121 F129K5-E123 IonicContact NZ-OE2 3.22Å; K5-E123 PolarHBondContact NZ-OE2 3.03Å; H23-E123 PolarHBondContact NE2-O 2.91Å; T90-E123 PolarHBondContact OG1-OE1 3.44Å; T121-E123 VanDerWaalsContact C-N 3.3Å; T121-E123 PolarHBondContact O-N 2.84Å; E123-F129 WeakPolarHBondContact O-CD2 3.26Å
124H93.2Very high89.7Confident58 Ų5852.7 Ų52.727%0.26926%0.262SS..THydrogen-bonded Turntrans-97.7-3.7-178.1-68.4-67.2000113.3H23 Y24 L25 R26 I29 Q89 T121 N122H23-H124 AromaticContact CE1-CE1 3.4Å; H23-H124 PolarHBondContact CE1-CE1 2.94Å; H23-H124 VanDerWaalsContact CE1-CE1 3.4Å; H23-H124 AromaticContact CE1-ND1 3.59Å; H23-H124 AromaticContact ND1-CE1 3.77Å; H23-H124 AromaticContact NE2-ND1 3.84Å; Y24-H124 PolarHBondContact O-ND1 3.03Å; L25-H124 CarbonylContact C-O 3.58Å; L25-H124 WeakPolarHBondContact CA-O 3.35Å; R26-H124 PolarHBondContact N-O 3.08Å; I29-H124 VanDerWaalsContact CD1-C 3.41Å; I29-H124 HydrophobicContact CD1-CB 3.86Å; I29-H124 WeakPolarHBondContact CD1-O 3.37Å; Q89-H124 PolarHBondContact NE2-CD2 3.31Å; Q89-H124 PolarHBondContact OE1-CD2 2.81Å; T121-H124 PolarHBondContact O-N 2.96Å; N122-H124 VanDerWaalsContact C-N 3.3Å; N122-H124 PolarHBondContact O-N 3Å
125H93.6Very high90.1Very high10 Ų1054.8 Ų54.85%0.04628%0.284CS..BIsolated β-bridgetrans-88.1131179.6176.7-99.7000110.9I29 F120 T121 N122 E127 T128 F129 W152I29-H125 HydrophobicContact CB-CB 4.37Å; I29-H125 HydrophobicContact CD1-CB 3.69Å; I29-H125 HydrophobicContact CG2-CB 4.49Å; F120-H125 HydrophobicContact CZ-CB 4.15Å; F120-H125 AromaticContact CZ-CG 3.99Å; T121-H125 PolarHBondContact O-N 2.85Å; N122-H125 PolarHBondContact O-N 2.8Å; H125-E127 VanDerWaalsContact C-N 3.29Å; H125-E127 PolarHBondContact O-N 2.85Å; H125-T128 VanDerWaalsContact CB-OG1 3.31Å; H125-T128 WeakPolarHBondContact CB-OG1 3.32Å; H125-T128 PolarHBondContact ND1-N 2.77Å; H125-T128 PolarHBondContact ND1-OG1 2.86Å; H125-T128 VanDerWaalsContact ND1-OG1 3.15Å; H125-T128 PolarHBondContact O-N 3.22Å; H125-F129 VanDerWaalsContact O-CB 3.32Å; H125-F129 WeakPolarHBondContact O-CB 3.49Å; H125-F129 PolarHBondContact O-N 2.86Å; H125-W152 AromaticContact CE1-CE2 3.44Å; H125-W152 VanDerWaalsContact CE1-CE2 3.44Å; H125-W152 AromaticContact CE1-CZ2 3.51Å; H125-W152 AromaticContact CE1-NE1 3.54Å; H125-W152 AromaticContact NE2-CZ2 3.73Å
126R91.2Very high90.5Very high118 Ų11854.5 Ų54.545%0.44528%0.284SS..THydrogen-bonded Turntrans-57.8-38.3-169.6-176.2-177.869.4-164.91.7113.5L25 R26 D27L25-R126 HydrophobicContact CB-CB 4.43Å; R26-R126 PolarHBondContact O-N 2.88Å; D27-R126 VanDerWaalsContact CG-CZ 3.46Å; D27-R126 WeakPolarHBondContact OD1-CB 3.38Å; D27-R126 WeakPolarHBondContact OD1-CD 3.33Å; D27-R126 IonicContact OD1-CZ 3.68Å; D27-R126 IonicContact OD1-NE 3.7Å; D27-R126 PolarHBondContact OD1-NE 2.82Å; D27-R126 IonicContact OD1-NH1 3.05Å; D27-R126 PolarHBondContact OD1-NH1 3.49Å; D27-R126 IonicContact OD1-NH2 3.8Å; D27-R126 IonicContact OD2-CZ 2.71Å; D27-R126 IonicContact OD2-NE 3.72Å; D27-R126 IonicContact OD2-NH1 4Å; D27-R126 PolarHBondContact OD2-NH1 3.2Å
127E90.6Very high90.4Very high110 Ų11055.4 Ų55.451%0.51429%0.294SS..THydrogen-bonded Turntrans-89.7-20.4-172.8-48.8-172.9163.100113.1H125 W152H125-E127 VanDerWaalsContact C-N 3.29Å; H125-E127 PolarHBondContact O-N 2.85Å; E127-W152 PolarHBondContact OE2-NE1 2.83Å
128T93.6Very high90.1Very high1 Ų157.7 Ų57.71%0.00631%0.313CS..THydrogen-bonded Turntrans-102.1-11.5-179.255.40000113.3F120 N122 H125 A149 W152F120-T128 HydrophobicContact CE1-CG2 4.13Å; F120-T128 HydrophobicContact CZ-CG2 4.42Å; N122-T128 WeakPolarHBondContact CA-OG1 3.3Å; N122-T128 PolarHBondContact O-OG1 3.29Å; H125-T128 VanDerWaalsContact CB-OG1 3.31Å; H125-T128 WeakPolarHBondContact CB-OG1 3.32Å; H125-T128 PolarHBondContact ND1-N 2.77Å; H125-T128 PolarHBondContact ND1-OG1 2.86Å; H125-T128 VanDerWaalsContact ND1-OG1 3.15Å; H125-T128 PolarHBondContact O-N 3.22Å; T128-A149 HydrophobicContact CG2-CB 4.37Å; T128-W152 HydrophobicContact CG2-CB 3.54Å; T128-W152 HydrophobicContact CG2-CD2 3.86Å; T128-W152 HydrophobicContact CG2-CE3 4.21Å; T128-W152 HydrophobicContact CG2-CG 3.54Å
129F92.6Very high89.7Confident36 Ų3658.3 Ų58.316%0.15832%0.319CS..  trans-68134.6176.7175-104.1000111.4K3 H23 L25 E123 H125 E131K3-F129 HydrophobicContact CB-CE1 4.46Å; K3-F129 HydrophobicContact CG-CE1 4.17Å; H23-F129 AromaticContact CD2-CD2 3.89Å; H23-F129 AromaticContact CD2-CE2 3.44Å; H23-F129 VanDerWaalsContact CD2-CE2 3.44Å; H23-F129 WeakPolarHBondContact CD2-CE2 3.49Å; H23-F129 AromaticContact CD2-CZ 3.87Å; H23-F129 AromaticContact NE2-CD2 3.54Å; H23-F129 AromaticContact NE2-CE2 3.38Å; H23-F129 WeakPolarHBondContact NE2-CE2 3.36Å; L25-F129 HydrophobicContact CD1-CB 4.33Å; L25-F129 HydrophobicContact CD1-CD1 3.72Å; L25-F129 HydrophobicContact CD1-CE1 4.33Å; L25-F129 HydrophobicContact CD1-CG 4.19Å; L25-F129 HydrophobicContact CD2-CB 3.54Å; L25-F129 HydrophobicContact CD2-CD1 3.77Å; L25-F129 HydrophobicContact CD2-CD2 3.84Å; L25-F129 HydrophobicContact CD2-CE1 4.41Å; L25-F129 HydrophobicContact CD2-CE2 4.47Å; L25-F129 HydrophobicContact CD2-CG 3.42Å; L25-F129 VanDerWaalsContact CD2-CG 3.42Å; L25-F129 HydrophobicContact CG-CD1 4.34Å; L25-F129 HydrophobicContact CG-CG 4.43Å; E123-F129 WeakPolarHBondContact O-CD2 3.26Å; H125-F129 VanDerWaalsContact O-CB 3.32Å; H125-F129 WeakPolarHBondContact O-CB 3.49Å; H125-F129 PolarHBondContact O-N 2.86Å; F129-E131 HydrophobicContact CE1-CG 3.81Å; F129-E131 HydrophobicContact CZ-CG 4.33Å
130I91.4Very high89.3Confident18 Ų1859.1 Ų59.19%0.09232%0.322CS..  trans-123.7145.1176.261.4161.8000111.6Q141 R144 A145 V148I130-Q141 HydrophobicContact CD1-CG 4.05Å; I130-Q141 WeakPolarHBondContact CD1-O 3.4Å; I130-R144 HydrophobicContact CD1-CB 3.9Å; I130-R144 HydrophobicContact CD1-CG 3.97Å; I130-A145 HydrophobicContact CD1-CB 3.69Å; I130-A145 VanDerWaalsContact CD1-N 3.33Å; I130-A145 HydrophobicContact CG1-CB 3.9Å; I130-V148 HydrophobicContact CG2-CB 4.29Å; I130-V148 HydrophobicContact CG2-CG1 4.21Å; I130-V148 HydrophobicContact CG2-CG2 4.02Å
131E87.1Confident89Confident110 Ų11060 Ų6051%0.51433%0.326SS..PPolyproline II helixtrans-89.7148170.5-66.5-177.9-176.500110.3K3 F129 R144K3-E131 WeakPolarHBondContact CD-OE1 3.34Å; K3-E131 VanDerWaalsContact CE-OE1 3.26Å; K3-E131 WeakPolarHBondContact CE-OE1 3.42Å; K3-E131 IonicContact NZ-OE1 2.7Å; K3-E131 PolarHBondContact NZ-OE1 3.43Å; F129-E131 HydrophobicContact CE1-CG 3.81Å; F129-E131 HydrophobicContact CZ-CG 4.33Å; E131-R144 PolarHBondContact O-NH2 3.11Å
132R84.7Confident88.8Confident146 Ų14659.4 Ų59.455%0.55132%0.321SS*.PPolyproline II helixtrans-72.4128.6178.1-171.5175176.9-179.4-1.5109.9E136R132-E136 VanDerWaalsContact CZ-O 3.27Å; R132-E136 PolarHBondContact NE-O 3.14Å; R132-E136 PolarHBondContact NH2-O 2.88Å
133E88.1Confident88.5Confident108 Ų10859.7 Ų59.751%0.50532%0.323SS..PPolyproline II helixtrans-80.2149.3178.6-70.8174.1-163.200111.5G135 E136 R144E133-G135 PolarHBondContact O-N 3.34Å; E133-E136 HydrophobicContact CB-CB 4.11Å; E133-E136 PolarHBondContact N-OE2 3.31Å; E133-E136 VanDerWaalsContact O-CB 3.31Å; E133-E136 WeakPolarHBondContact O-CB 3.18Å; E133-E136 PolarHBondContact O-N 2.89Å; E133-E136 VanDerWaalsContact O-N 3.15Å; E133-R144 IonicContact OE1-CZ 3.04Å; E133-R144 IonicContact OE1-NE 3.2Å; E133-R144 IonicContact OE1-NH1 3.93Å; E133-R144 PolarHBondContact OE1-NH1 3.46Å; E133-R144 IonicContact OE1-NH2 3.62Å
134P84.4Confident88.5Confident138 Ų13861.2 Ų61.290%0.89633%0.328SS*.THydrogen-bonded Turntrans-60.3122.9176.2-21.332.7000111.5
135G83.4Confident88.4Confident91 Ų9158.5 Ų58.594%0.93832%0.316SS*.THydrogen-bonded Turntrans89.6-6.8-178.900000115.1E133E133-G135 PolarHBondContact O-N 3.34Å
136E86.7Confident88.4Confident26 Ų2658 Ų5812%0.12131%0.314CS..  trans-76.6136.8177.5-169.4-176.4-151.200111.4R132 E133 D140 Q141 R144R132-E136 VanDerWaalsContact CZ-O 3.27Å; R132-E136 PolarHBondContact NE-O 3.14Å; R132-E136 PolarHBondContact NH2-O 2.88Å; E133-E136 HydrophobicContact CB-CB 4.11Å; E133-E136 PolarHBondContact N-OE2 3.31Å; E133-E136 VanDerWaalsContact O-CB 3.31Å; E133-E136 WeakPolarHBondContact O-CB 3.18Å; E133-E136 PolarHBondContact O-N 2.89Å; E133-E136 VanDerWaalsContact O-N 3.15Å; E136-D140 HydrophobicContact CG-CB 3.7Å; E136-Q141 HydrophobicContact CG-CB 4.48Å; E136-Q141 WeakPolarHBondContact OE1-CA 3.4Å; E136-R144 IonicContact OE1-CZ 2.75Å; E136-R144 IonicContact OE1-NE 2.85Å; E136-R144 PolarHBondContact OE1-NE 2.84Å; E136-R144 IonicContact OE1-NH2 3.81Å; E136-R144 PolarHBondContact OE1-NH2 3.06Å; E136-R144 IonicContact OE2-CZ 3.36Å; E136-R144 IonicContact OE2-NE 2.75Å; E136-R144 IonicContact OE2-NH2 2.73Å; E136-R144 PolarHBondContact OE2-NH2 3.45Å
137S85.4Confident88.5Confident47 Ų4753.7 Ų53.733%0.32930%0.297SS..  trans-73.4162.8173.684.70000111.3N139 D140 Q141S137-N139 VanDerWaalsContact C-N 3.25Å; S137-N139 PolarHBondContact O-N 2.98Å; S137-N139 PolarHBondContact OG-N 3.26Å; S137-D140 VanDerWaalsContact CB-OD2 3.27Å; S137-D140 WeakPolarHBondContact CB-OD2 3.48Å; S137-D140 VanDerWaalsContact OG-CG 3.24Å; S137-D140 PolarHBondContact OG-N 3.35Å; S137-D140 VanDerWaalsContact OG-N 3.11Å; S137-D140 PolarHBondContact OG-OD2 2.75Å; S137-Q141 PolarHBondContact O-N 2.81Å; S137-Q141 VanDerWaalsContact O-N 3.12Å
138A84.2Confident88.7Confident53 Ų5350.7 Ų50.744%0.43829%0.287SS..Hα-helixtrans-66.8-29.6175.800000112.4N142A138-N142 VanDerWaalsContact O-CG 3.24Å; A138-N142 PolarHBondContact O-N 3.5Å; A138-N142 PolarHBondContact O-OD1 2.93Å
139N84.4Confident88.7Confident53 Ų5350.7 Ų50.728%0.28329%0.286SS..Hα-helixtrans-69.6-48.9176.9-162.283.9000110.4S137 Q141 N142 D143S137-N139 VanDerWaalsContact C-N 3.25Å; S137-N139 PolarHBondContact O-N 2.98Å; S137-N139 PolarHBondContact OG-N 3.26Å; N139-Q141 PolarHBondContact O-N 3.43Å; N139-N142 WeakPolarHBondContact O-CB 3.49Å; N139-N142 PolarHBondContact O-N 3.5Å; N139-D143 PolarHBondContact ND2-OD2 3.14Å; N139-D143 PolarHBondContact O-N 3.3Å
140D85.8Confident88.7Confident60 Ų6049 Ų4932%0.32128%0.279SS..Hα-helixtrans-58.2-39.3177.5-65.4-58.4000111.9E136 S137 D143 R144E136-D140 HydrophobicContact CG-CB 3.7Å; S137-D140 VanDerWaalsContact CB-OD2 3.27Å; S137-D140 WeakPolarHBondContact CB-OD2 3.48Å; S137-D140 VanDerWaalsContact OG-CG 3.24Å; S137-D140 PolarHBondContact OG-N 3.35Å; S137-D140 VanDerWaalsContact OG-N 3.11Å; S137-D140 PolarHBondContact OG-OD2 2.75Å; D140-D143 PolarHBondContact O-N 3.06Å; D140-R144 VanDerWaalsContact O-CB 3.32Å; D140-R144 WeakPolarHBondContact O-CB 3.34Å; D140-R144 PolarHBondContact O-N 3.46Å
141Q87.8Confident88.8Confident18 Ų1852.5 Ų52.58%0.08429%0.293CS..Hα-helixtrans-61.5-48.8173.7-175.7-173.75.800111I130 E136 S137 N139 D143 R144 A145I130-Q141 HydrophobicContact CD1-CG 4.05Å; I130-Q141 WeakPolarHBondContact CD1-O 3.4Å; E136-Q141 HydrophobicContact CG-CB 4.48Å; E136-Q141 WeakPolarHBondContact OE1-CA 3.4Å; S137-Q141 PolarHBondContact O-N 2.81Å; S137-Q141 VanDerWaalsContact O-N 3.12Å; N139-Q141 PolarHBondContact O-N 3.43Å; Q141-D143 VanDerWaalsContact C-N 3.35Å; Q141-D143 PolarHBondContact O-N 3.37Å; Q141-R144 PolarHBondContact O-N 3.32Å; Q141-A145 PolarHBondContact O-N 3.05Å
142N89.8Confident89.1Confident34 Ų3448.2 Ų48.218%0.18227%0.273CS..Hα-helixtrans-60.1-46.2179.2-71.6-6000111.1T90 E94 A138 N139 R144 A145 I146T90-N142 HydrophobicContact CG2-CB 3.75Å; T90-N142 WeakPolarHBondContact CG2-OD1 3.49Å; E94-N142 PolarHBondContact OE2-ND2 3.41Å; A138-N142 VanDerWaalsContact O-CG 3.24Å; A138-N142 PolarHBondContact O-N 3.5Å; A138-N142 PolarHBondContact O-OD1 2.93Å; N139-N142 WeakPolarHBondContact O-CB 3.49Å; N139-N142 PolarHBondContact O-N 3.5Å; N142-R144 VanDerWaalsContact C-N 3.29Å; N142-R144 PolarHBondContact O-N 3.49Å; N142-A145 WeakPolarHBondContact O-CB 3.29Å; N142-A145 PolarHBondContact O-N 2.88Å; N142-A145 VanDerWaalsContact O-N 3.1Å; N142-I146 WeakPolarHBondContact O-CG1 3.44Å; N142-I146 PolarHBondContact O-N 3.35Å
143D89.2Confident89.4Confident7 Ų741.3 Ų41.34%0.03725%0.247CC..Hα-helixtrans-61.4-40.3178.7-57.1-26.6000110.8N139 D140 Q141 I146 R147N139-D143 PolarHBondContact ND2-OD2 3.14Å; N139-D143 PolarHBondContact O-N 3.3Å; D140-D143 PolarHBondContact O-N 3.06Å; Q141-D143 VanDerWaalsContact C-N 3.35Å; Q141-D143 PolarHBondContact O-N 3.37Å; D143-I146 PolarHBondContact O-N 3.19Å; D143-R147 VanDerWaalsContact C-NH1 3.33Å; D143-R147 VanDerWaalsContact CB-NH1 3.31Å; D143-R147 WeakPolarHBondContact O-CG 3.3Å; D143-R147 PolarHBondContact O-N 2.9Å; D143-R147 PolarHBondContact O-NH1 3.49Å
144R90.9Very high89.5Confident44 Ų4437.4 Ų37.417%0.16623%0.231CC..Hα-helixtrans-64.6-40.7174.6-171.6163.957.199.68112I130 E131 E133 E136 D140 Q141 N142 I146 R147 V148I130-R144 HydrophobicContact CD1-CB 3.9Å; I130-R144 HydrophobicContact CD1-CG 3.97Å; E131-R144 PolarHBondContact O-NH2 3.11Å; E133-R144 IonicContact OE1-CZ 3.04Å; E133-R144 IonicContact OE1-NE 3.2Å; E133-R144 IonicContact OE1-NH1 3.93Å; E133-R144 PolarHBondContact OE1-NH1 3.46Å; E133-R144 IonicContact OE1-NH2 3.62Å; E136-R144 IonicContact OE1-CZ 2.75Å; E136-R144 IonicContact OE1-NE 2.85Å; E136-R144 PolarHBondContact OE1-NE 2.84Å; E136-R144 IonicContact OE1-NH2 3.81Å; E136-R144 PolarHBondContact OE1-NH2 3.06Å; E136-R144 IonicContact OE2-CZ 3.36Å; E136-R144 IonicContact OE2-NE 2.75Å; E136-R144 IonicContact OE2-NH2 2.73Å; E136-R144 PolarHBondContact OE2-NH2 3.45Å; D140-R144 VanDerWaalsContact O-CB 3.32Å; D140-R144 WeakPolarHBondContact O-CB 3.34Å; D140-R144 PolarHBondContact O-N 3.46Å; Q141-R144 PolarHBondContact O-N 3.32Å; N142-R144 VanDerWaalsContact C-N 3.29Å; N142-R144 PolarHBondContact O-N 3.49Å; R144-I146 VanDerWaalsContact C-N 3.3Å; R144-I146 PolarHBondContact O-N 3.27Å; R144-R147 VanDerWaalsContact CA-NH2 3.3Å; R144-R147 PolarHBondContact O-N 3.34Å; R144-V148 VanDerWaalsContact O-CG2 3.31Å; R144-V148 WeakPolarHBondContact O-CG2 3.44Å; R144-V148 PolarHBondContact O-N 3.16Å
145A92.6Very high89.7Confident1 Ų136.4 Ų36.41%0.00822%0.215CC..Hα-helixtrans-62.3-39.7176.400000111.3I130 Q141 N142 A149I130-A145 HydrophobicContact CD1-CB 3.69Å; I130-A145 VanDerWaalsContact CD1-N 3.33Å; I130-A145 HydrophobicContact CG1-CB 3.9Å; Q141-A145 PolarHBondContact O-N 3.05Å; N142-A145 WeakPolarHBondContact O-CB 3.29Å; N142-A145 PolarHBondContact O-N 2.88Å; N142-A145 VanDerWaalsContact O-N 3.1Å; A145-A149 WeakPolarHBondContact O-CB 3.46Å; A145-A149 PolarHBondContact O-N 3.02Å
146I93.4Very high89.9Confident0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-63.2-51.4175.3-64166.4000110D66 L88 V91 N142 D143 R144 V148 A149 V150 L171D66-I146 VanDerWaalsContact OD1-CD1 3.31Å; D66-I146 WeakPolarHBondContact OD1-CD1 3.47Å; L88-I146 HydrophobicContact CD1-CB 4.01Å; L88-I146 HydrophobicContact CD1-CG1 3.88Å; L88-I146 HydrophobicContact CD1-CG2 3.87Å; V91-I146 HydrophobicContact CG2-CD1 3.63Å; V91-I146 HydrophobicContact CG2-CG1 4.04Å; N142-I146 WeakPolarHBondContact O-CG1 3.44Å; N142-I146 PolarHBondContact O-N 3.35Å; D143-I146 PolarHBondContact O-N 3.19Å; R144-I146 VanDerWaalsContact C-N 3.3Å; R144-I146 PolarHBondContact O-N 3.27Å; I146-V148 VanDerWaalsContact C-N 3.32Å; I146-V148 PolarHBondContact O-N 3.11Å; I146-A149 PolarHBondContact O-N 2.79Å; I146-A149 VanDerWaalsContact O-N 3.15Å; I146-V150 HydrophobicContact CG2-CG2 4.36Å; I146-V150 VanDerWaalsContact O-CG2 3.31Å; I146-V150 WeakPolarHBondContact O-CG2 3.22Å; I146-V150 PolarHBondContact O-N 3.29Å; I146-L171 HydrophobicContact CG2-CD1 3.58Å
147R93.1Very high89.8Confident27 Ų2733 Ų3310%0.10218%0.175CC..Hα-helixtrans-57.6-42.7178.5-69.3-171.9-58.2-84.7-1112.5D143 R144 V150 K151 L171 N178 A182D143-R147 VanDerWaalsContact C-NH1 3.33Å; D143-R147 VanDerWaalsContact CB-NH1 3.31Å; D143-R147 WeakPolarHBondContact O-CG 3.3Å; D143-R147 PolarHBondContact O-N 2.9Å; D143-R147 PolarHBondContact O-NH1 3.49Å; R144-R147 VanDerWaalsContact CA-NH2 3.3Å; R144-R147 PolarHBondContact O-N 3.34Å; R147-V150 PolarHBondContact O-N 2.92Å; R147-K151 WeakPolarHBondContact O-CB 3.23Å; R147-K151 PolarHBondContact O-N 2.79Å; R147-L171 HydrophobicContact CG-CD2 4.29Å; R147-N178 PolarHBondContact NH1-OD1 2.73Å; R147-A182 HydrophobicContact CG-CB 4.21Å
148V93.9Very high89.4Confident47 Ų4738.2 Ų38.229%0.28519%0.191SC..Hα-helixtrans-64.7-42.8177.2170.60000111.4I130 R144 I146 K151 W152I130-V148 HydrophobicContact CG2-CB 4.29Å; I130-V148 HydrophobicContact CG2-CG1 4.21Å; I130-V148 HydrophobicContact CG2-CG2 4.02Å; R144-V148 VanDerWaalsContact O-CG2 3.31Å; R144-V148 WeakPolarHBondContact O-CG2 3.44Å; R144-V148 PolarHBondContact O-N 3.16Å; I146-V148 VanDerWaalsContact C-N 3.32Å; I146-V148 PolarHBondContact O-N 3.11Å; V148-K151 PolarHBondContact O-N 3.18Å; V148-W152 WeakPolarHBondContact O-CB 3.48Å; V148-W152 PolarHBondContact O-N 3.5Å
149A94.1Very high88.3Confident0 Ų038.3 Ų38.30%019%0.186CC..Hα-helixtrans-63.6-42.6176.800000112.4L88 N122 T128 A145 I146 W152 Y153L88-A149 HydrophobicContact CD1-CB 3.83Å; L88-A149 HydrophobicContact CD2-CB 3.87Å; N122-A149 HydrophobicContact CB-CB 4.13Å; T128-A149 HydrophobicContact CG2-CB 4.37Å; A145-A149 WeakPolarHBondContact O-CB 3.46Å; A145-A149 PolarHBondContact O-N 3.02Å; I146-A149 PolarHBondContact O-N 2.79Å; I146-A149 VanDerWaalsContact O-N 3.15Å; A149-W152 WeakPolarHBondContact O-CB 3.15Å; A149-W152 PolarHBondContact O-N 2.81Å; A149-Y153 PolarHBondContact O-N 3.46Å
150V93.3Very high86.8Confident1 Ų142.3 Ų42.31%0.00622%0.215CC..Hα-helixtrans-64.9-42176.8-179.90000111.2V64 I146 R147 W152 Y153 S154 V169 L171 V187V64-V150 HydrophobicContact CB-CG2 3.9Å; V64-V150 HydrophobicContact CG1-CG2 3.75Å; V64-V150 HydrophobicContact CG2-CG2 4.06Å; I146-V150 HydrophobicContact CG2-CG2 4.36Å; I146-V150 VanDerWaalsContact O-CG2 3.31Å; I146-V150 WeakPolarHBondContact O-CG2 3.22Å; I146-V150 PolarHBondContact O-N 3.29Å; R147-V150 PolarHBondContact O-N 2.92Å; V150-W152 VanDerWaalsContact C-N 3.33Å; V150-W152 PolarHBondContact O-N 2.89Å; V150-Y153 PolarHBondContact O-N 2.75Å; V150-S154 WeakPolarHBondContact O-CB 3.4Å; V150-S154 PolarHBondContact O-N 3.11Å; V150-S154 PolarHBondContact O-OG 3.45Å; V150-V169 HydrophobicContact CG1-CG1 4.09Å; V150-L171 HydrophobicContact CG1-CB 4.36Å; V150-L171 HydrophobicContact CG2-CB 4.25Å; V150-L171 HydrophobicContact CG2-CD1 4.22Å; V150-V187 HydrophobicContact CB-CG1 4.07Å; V150-V187 HydrophobicContact CG1-CG1 3.39Å
151K93.4Very high85.1Confident91 Ų9148.3 Ų48.340%0.39624%0.242SC..Hα-helixtrans-61.2-42.9175.4-176.8172.9-179.1169.50111.6R147 V148 S154 Q155 V187R147-K151 WeakPolarHBondContact O-CB 3.23Å; R147-K151 PolarHBondContact O-N 2.79Å; V148-K151 PolarHBondContact O-N 3.18Å; K151-S154 PolarHBondContact O-N 3.17Å; K151-Q155 WeakPolarHBondContact O-CG 3.47Å; K151-Q155 PolarHBondContact O-N 2.86Å; K151-V187 HydrophobicContact CB-CG2 4.04Å
152W93.3Very high83.4Confident20 Ų2049.7 Ų49.78%0.07625%0.253CS..Hα-helixtrans-60.7-50.3175.7177.683.3000111.4C31 F120 H125 E127 T128 V148 A149 V150 S154 Q155 H156C31-W152 HydrophobicContact CB-CH2 4.1Å; C31-W152 HydrophobicContact CB-CZ3 4.22Å; F120-W152 HydrophobicContact CE1-CE3 4.44Å; F120-W152 HydrophobicContact CE1-CZ3 4.41Å; F120-W152 HydrophobicContact CE2-CH2 4.12Å; F120-W152 AromaticContact CE2-CZ3 3.78Å; F120-W152 HydrophobicContact CE2-CZ3 3.78Å; F120-W152 AromaticContact CZ-CE3 3.96Å; F120-W152 HydrophobicContact CZ-CE3 3.96Å; F120-W152 HydrophobicContact CZ-CH2 4.09Å; F120-W152 AromaticContact CZ-CZ3 3.59Å; F120-W152 HydrophobicContact CZ-CZ3 3.59Å; H125-W152 AromaticContact CE1-CE2 3.44Å; H125-W152 VanDerWaalsContact CE1-CE2 3.44Å; H125-W152 AromaticContact CE1-CZ2 3.51Å; H125-W152 AromaticContact CE1-NE1 3.54Å; H125-W152 AromaticContact NE2-CZ2 3.73Å; E127-W152 PolarHBondContact OE2-NE1 2.83Å; T128-W152 HydrophobicContact CG2-CB 3.54Å; T128-W152 HydrophobicContact CG2-CD2 3.86Å; T128-W152 HydrophobicContact CG2-CE3 4.21Å; T128-W152 HydrophobicContact CG2-CG 3.54Å; V148-W152 WeakPolarHBondContact O-CB 3.48Å; V148-W152 PolarHBondContact O-N 3.5Å; A149-W152 WeakPolarHBondContact O-CB 3.15Å; A149-W152 PolarHBondContact O-N 2.81Å; V150-W152 VanDerWaalsContact C-N 3.33Å; V150-W152 PolarHBondContact O-N 2.89Å; W152-S154 VanDerWaalsContact C-N 3.27Å; W152-S154 PolarHBondContact O-N 2.96Å; W152-Q155 PolarHBondContact O-N 3.38Å; W152-H156 HydrophobicContact CD2-CB 4.38Å; W152-H156 HydrophobicContact CH2-CB 4.38Å; W152-H156 AromaticContact CH2-CD2 3.71Å; W152-H156 AromaticContact CH2-CG 3.95Å; W152-H156 HydrophobicContact CZ2-CB 4.19Å; W152-H156 AromaticContact CZ2-CG 3.89Å; W152-H156 VanDerWaalsContact O-CB 3.3Å; W152-H156 WeakPolarHBondContact O-CB 3.5Å; W152-H156 PolarHBondContact O-N 2.95Å
153Y91.2Very high81.7Confident1 Ų150.4 Ų50.40%0.00427%0.268CS..Hα-helixtrans-56.9-41.8175.9-101.5-75.8000112.2C31 I86 F120 A149 V150 Q155 H156 L157C31-Y153 HydrophobicContact CB-CE1 3.75Å; C31-Y153 WeakPolarHBondContact O-CE1 3.19Å; C31-Y153 PolarHBondContact O-OH 3.15Å; I86-Y153 HydrophobicContact CD1-CD1 4Å; I86-Y153 HydrophobicContact CD1-CE1 3.71Å; I86-Y153 HydrophobicContact CD1-CE2 4.26Å; I86-Y153 HydrophobicContact CD1-CG 4.38Å; I86-Y153 HydrophobicContact CG2-CE2 4.03Å; F120-Y153 HydrophobicContact CB-CE2 4.17Å; F120-Y153 AromaticContact CD1-CE2 3.78Å; F120-Y153 HydrophobicContact CD1-CE2 3.78Å; F120-Y153 AromaticContact CD2-CE2 3.93Å; F120-Y153 HydrophobicContact CD2-CE2 3.93Å; F120-Y153 AromaticContact CD2-CZ 3.98Å; F120-Y153 VanDerWaalsContact CD2-OH 3.32Å; F120-Y153 WeakPolarHBondContact CD2-OH 3.31Å; F120-Y153 HydrophobicContact CE1-CE2 4.1Å; F120-Y153 HydrophobicContact CE2-CE2 4.23Å; F120-Y153 AromaticContact CG-CE2 3.69Å; F120-Y153 HydrophobicContact CG-CE2 3.69Å; F120-Y153 HydrophobicContact CZ-CE2 4.32Å; A149-Y153 PolarHBondContact O-N 3.46Å; V150-Y153 PolarHBondContact O-N 2.75Å; Y153-Q155 PolarHBondContact O-N 2.94Å; Y153-H156 PolarHBondContact O-N 3.32Å; Y153-L157 HydrophobicContact CD1-CD1 3.86Å; Y153-L157 HydrophobicContact CD1-CG 4.34Å; Y153-L157 WeakPolarHBondContact O-CB 3.45Å; Y153-L157 WeakPolarHBondContact O-CG 3.42Å; Y153-L157 PolarHBondContact O-N 3.29Å
154S89Confident80.1Confident27 Ų2755.7 Ų55.719%0.18930%0.303CS..Hα-helixtrans-66.4-23.2177.5-59.20000113.4V150 K151 W152 K158V150-S154 WeakPolarHBondContact O-CB 3.4Å; V150-S154 PolarHBondContact O-N 3.11Å; V150-S154 PolarHBondContact O-OG 3.45Å; K151-S154 PolarHBondContact O-N 3.17Å; W152-S154 VanDerWaalsContact C-N 3.27Å; W152-S154 PolarHBondContact O-N 2.96Å; S154-K158 WeakPolarHBondContact O-CD 3.46Å; S154-K158 WeakPolarHBondContact O-CE 3.33Å; S154-K158 WeakPolarHBondContact O-CG 3.4Å
155Q88.9Confident78.5Confident117 Ų11759.6 Ų59.655%0.54733%0.327SS..Hα-helixtrans-90.1-42.9175.7-72.4175.2-19.600111.2K151 W152 Y153 L157 K158K151-Q155 WeakPolarHBondContact O-CG 3.47Å; K151-Q155 PolarHBondContact O-N 2.86Å; W152-Q155 PolarHBondContact O-N 3.38Å; Y153-Q155 PolarHBondContact O-N 2.94Å; Q155-L157 PolarHBondContact O-N 3.48Å; Q155-K158 PolarHBondContact O-N 3.02Å
156H87.1Confident77.4Confident35 Ų3560.3 Ų60.316%0.16233%0.334CS..Hα-helixtrans-66-35.5-178.5179.663.3000112.8C36 E38 C39 W152 Y153C36-H156 VanDerWaalsContact SG-CE1 3.59Å; C36-H156 PolarHBondContact SG-NE2 3.1Å; E38-H156 IonicContact OE2-CE1 2.82Å; E38-H156 PolarHBondContact OE2-CE1 3.08Å; E38-H156 IonicContact OE2-ND1 3.9Å; E38-H156 PolarHBondContact OE2-ND1 3.47Å; C39-H156 PolarHBondContact SG-NE2 3.21Å; W152-H156 HydrophobicContact CD2-CB 4.38Å; W152-H156 HydrophobicContact CH2-CB 4.38Å; W152-H156 AromaticContact CH2-CD2 3.71Å; W152-H156 AromaticContact CH2-CG 3.95Å; W152-H156 HydrophobicContact CZ2-CB 4.19Å; W152-H156 AromaticContact CZ2-CG 3.89Å; W152-H156 VanDerWaalsContact O-CB 3.3Å; W152-H156 WeakPolarHBondContact O-CB 3.5Å; W152-H156 PolarHBondContact O-N 2.95Å; Y153-H156 PolarHBondContact O-N 3.32Å
157L84.2Confident76.8Confident10 Ų1061.7 Ų61.75%0.05234%0.342CS..THydrogen-bonded Turntrans-88.2-0.6179.3-61.8177.9000114C36 Y62 Y153 Q155 T159 L167 V169C36-L157 HydrophobicContact CB-CD2 4.3Å; Y62-L157 HydrophobicContact CD2-CD1 3.82Å; Y62-L157 HydrophobicContact CE2-CD1 3.77Å; Y153-L157 HydrophobicContact CD1-CD1 3.86Å; Y153-L157 HydrophobicContact CD1-CG 4.34Å; Y153-L157 WeakPolarHBondContact O-CB 3.45Å; Y153-L157 WeakPolarHBondContact O-CG 3.42Å; Y153-L157 PolarHBondContact O-N 3.29Å; Q155-L157 PolarHBondContact O-N 3.48Å; L157-T159 PolarHBondContact O-N 3.08Å; L157-T159 VanDerWaalsContact O-N 3.11Å; L157-L167 HydrophobicContact CD1-CD2 4.21Å; L157-V169 HydrophobicContact CD1-CG2 3.96Å
158K77Confident76.4Confident156 Ų15663.9 Ų63.968%0.67835%0.352SS*.  trans-77.494.8174.7-85.4172.8-175.2-177.30110.2S154 Q155S154-K158 WeakPolarHBondContact O-CD 3.46Å; S154-K158 WeakPolarHBondContact O-CE 3.33Å; S154-K158 WeakPolarHBondContact O-CG 3.4Å; Q155-K158 PolarHBondContact O-N 3.02Å
159T62Low76.2Confident55 Ų5561.8 Ų61.834%0.33734%0.339SS..  trans-85.5149.817025.50000111.5L157 E161 S162L157-T159 PolarHBondContact O-N 3.08Å; L157-T159 VanDerWaalsContact O-N 3.11Å; T159-E161 PolarHBondContact O-N 3.27Å; T159-E161 VanDerWaalsContact O-N 3.12Å; T159-S162 WeakPolarHBondContact O-CB 3.4Å; T159-S162 PolarHBondContact O-N 3.21Å; T159-S162 PolarHBondContact O-OG 3.45Å; T159-S162 PolarHBondContact OG1-OG 3.46Å
160P53.2Low76.1Confident137 Ų13761.8 Ų61.889%0.8934%0.339SS*.THydrogen-bonded Turntrans-60.1-21.5178.8-20.831000114.7S162P160-S162 VanDerWaalsContact C-N 3.31Å
161E49.4Very low76.1Confident187 Ų18761.7 Ų61.787%0.87434%0.339SS*.THydrogen-bonded Turntrans-85.20.3177.5-63.8-175.1165.600113.6T159 G163T159-E161 PolarHBondContact O-N 3.27Å; T159-E161 VanDerWaalsContact O-N 3.12Å; E161-G163 PolarHBondContact O-N 3.22Å; E161-G163 VanDerWaalsContact O-N 3.1Å
162S52.1Low76Confident47 Ų4757.5 Ų57.533%0.32932%0.321SS..  trans-76.596.6177-54.90000109.7T159 P160T159-S162 WeakPolarHBondContact O-CB 3.4Å; T159-S162 PolarHBondContact O-N 3.21Å; T159-S162 PolarHBondContact O-OG 3.45Å; T159-S162 PolarHBondContact OG1-OG 3.46Å; P160-S162 VanDerWaalsContact C-N 3.31Å
163G55.5Low75.8Confident48 Ų4856.6 Ų56.650%0.49532%0.317SS..  trans-60.4-173.3164.500000112.5E161 D165 G166E161-G163 PolarHBondContact O-N 3.22Å; E161-G163 VanDerWaalsContact O-N 3.1Å; G163-D165 PolarHBondContact O-N 2.61Å; G163-G166 PolarHBondContact O-N 3.42Å
164P55Low75.5Confident118 Ų11858.5 Ų58.577%0.76633%0.327SS*.THydrogen-bonded Turntrans-56.4-18.3176.418.6-28.5000114.7
165D56.3Low75.2Confident127 Ų12759.7 Ų59.768%0.67933%0.332SS*.THydrogen-bonded Turntrans-97.517.5177.3-61.5-32.8000114.4G163G163-D165 PolarHBondContact O-N 2.61Å
166G69.4Low74.9Confident15 Ų1558.3 Ų58.316%0.15533%0.325CS..  trans-64.9155.6177.500000114.2G163 K168G163-G166 PolarHBondContact O-N 3.42Å; G166-K168 WeakPolarHBondContact O-CG 3.43Å; G166-K168 PolarHBondContact O-N 3.03Å
167L80.7Confident74.7Confident29 Ų2958.1 Ų58.115%0.15233%0.333CS..  trans-56.6128.7177.5-179.377.7000111.1V35 P60 Y62 L157V35-L167 HydrophobicContact CG2-CD2 4.15Å; P60-L167 HydrophobicContact CB-CD1 3.86Å; P60-L167 VanDerWaalsContact O-CA 3.31Å; P60-L167 WeakPolarHBondContact O-CA 3.42Å; Y62-L167 HydrophobicContact CD1-CD1 4.2Å; Y62-L167 HydrophobicContact CD2-CD2 4.22Å; Y62-L167 HydrophobicContact CE1-CD1 4.01Å; Y62-L167 HydrophobicContact CE1-CD2 4.28Å; Y62-L167 HydrophobicContact CE2-CD2 3.66Å; L157-L167 HydrophobicContact CD1-CD2 4.21Å
168K86.4Confident74.7Confident74 Ų7457.8 Ų57.832%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-118.6165.6177.4-55.9-167.8-167.3150.10112.6Y59 P60 H61 Y62 G166Y59-K168 HydrophobicContact CD2-CB 3.91Å; Y59-K168 HydrophobicContact CD2-CD 3.85Å; Y59-K168 HydrophobicContact CD2-CG 3.76Å; Y59-K168 HydrophobicContact CE1-CD 4.23Å; Y59-K168 HydrophobicContact CE2-CB 3.61Å; Y59-K168 HydrophobicContact CE2-CD 3.49Å; Y59-K168 VanDerWaalsContact CE2-CD 3.49Å; Y59-K168 HydrophobicContact CE2-CG 3.72Å; Y59-K168 HydrophobicContact CG-CD 4.37Å; P60-K168 PolarHBondContact O-N 3.33Å; H61-K168 CarbonylContact C-O 3.52Å; H61-K168 WeakPolarHBondContact CA-O 3.33Å; H61-K168 WeakPolarHBondContact CB-O 3.28Å; Y62-K168 PolarHBondContact N-O 3.33Å; G166-K168 WeakPolarHBondContact O-CG 3.43Å; G166-K168 PolarHBondContact O-N 3.03Å
169V89.1Confident75.2Confident2 Ų251.3 Ų51.31%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-118.8127176.8-173.20000108.6Y62 V64 V150 L157Y62-V169 HydrophobicContact CD2-CG2 4.43Å; V64-V169 HydrophobicContact CG2-CG1 3.54Å; V150-V169 HydrophobicContact CG1-CG1 4.09Å; L157-V169 HydrophobicContact CD1-CG2 3.96Å
170V90.9Very high76.4Confident0 Ų052.7 Ų52.70%031%0.308CS..EExtended strand (participates in β ladder)trans-116.5123-170.8178.80000109.3H61 Y62 L63 V64 L172 V188 Y190H61-V170 HydrophobicContact CB-CG2 4.03Å; Y62-V170 PolarHBondContact O-N 2.86Å; L63-V170 HydrophobicContact CD2-CB 4.23Å; L63-V170 HydrophobicContact CD2-CG1 4.49Å; V64-V170 PolarHBondContact N-O 2.87Å; V170-L172 HydrophobicContact CG1-CD2 4.07Å; V170-V188 HydrophobicContact CG2-CG1 4.08Å; V170-Y190 HydrophobicContact CG1-CD2 3.61Å; V170-Y190 HydrophobicContact CG1-CE2 4.11Å
171L93.1Very high78.1Confident0 Ų050.5 Ų50.50%028%0.284CS..EExtended strand (participates in β ladder)trans-83.3128.3171.6175.959.1000109.8V64 I146 R147 V150 A182 V187 V188 V189 Y190V64-L171 WeakPolarHBondContact O-CA 3.49Å; V64-L171 WeakPolarHBondContact O-CD1 3.34Å; I146-L171 HydrophobicContact CG2-CD1 3.58Å; R147-L171 HydrophobicContact CG-CD2 4.29Å; V150-L171 HydrophobicContact CG1-CB 4.36Å; V150-L171 HydrophobicContact CG2-CB 4.25Å; V150-L171 HydrophobicContact CG2-CD1 4.22Å; L171-A182 HydrophobicContact CD2-CB 3.92Å; L171-V187 HydrophobicContact CB-CG1 4.09Å; L171-V187 HydrophobicContact CD2-CG1 4.46Å; L171-V188 PolarHBondContact N-O 3.31Å; L171-V189 HydrophobicContact CB-CB 4.2Å; L171-V189 HydrophobicContact CB-CG2 4.08Å; L171-V189 HydrophobicContact CD2-CG2 4.06Å; L171-V189 HydrophobicContact CG-CG2 3.97Å; L171-V189 VanDerWaalsContact O-CA 3.31Å; L171-V189 WeakPolarHBondContact O-CA 3.42Å; L171-V189 WeakPolarHBondContact O-CG2 3.38Å; L171-Y190 PolarHBondContact O-N 3.37Å
172L92.3Very high79.9Confident3 Ų341.6 Ų41.62%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-108120.1172.1-58.8179.3000109.4L63 V64 D66 V69 V170 F192 Y195L63-L172 HydrophobicContact CB-CD1 4.4Å; L63-L172 HydrophobicContact CD1-CD1 4.33Å; L63-L172 HydrophobicContact CD2-CD1 4.07Å; L63-L172 HydrophobicContact CD2-CG 4.39Å; L63-L172 HydrophobicContact CG-CD1 4.5Å; V64-L172 PolarHBondContact O-N 3.42Å; D66-L172 VanDerWaalsContact CB-O 3.29Å; D66-L172 WeakPolarHBondContact CB-O 3.47Å; D66-L172 PolarHBondContact N-O 2.9Å; V69-L172 WeakPolarHBondContact CG2-O 3.27Å; V170-L172 HydrophobicContact CG1-CD2 4.07Å; L172-F192 HydrophobicContact CB-CD2 4.09Å; L172-F192 HydrophobicContact CD1-CD2 3.72Å; L172-F192 HydrophobicContact CD1-CE2 3.89Å; L172-F192 HydrophobicContact CG-CD2 4.45Å; L172-Y195 HydrophobicContact CD1-CD1 4.06Å; L172-Y195 HydrophobicContact CD1-CE1 4.44Å; L172-Y195 HydrophobicContact CD1-CG 4.49Å; L172-Y195 HydrophobicContact CD2-CD1 4.12Å; L172-Y195 HydrophobicContact CD2-CD2 4.14Å; L172-Y195 HydrophobicContact CD2-CG 3.7Å
173T89.9Confident81.7Confident0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-137.2148.6178.4-174.50000111.3D66 D175 N178 K179 V189 Y190 K191D66-T173 WeakPolarHBondContact OD2-CB 3.29Å; D66-T173 PolarHBondContact OD2-OG1 2.89Å; T173-D175 PolarHBondContact OG1-N 3.17Å; T173-D175 VanDerWaalsContact OG1-N 3.13Å; T173-N178 HydrophobicContact CG2-CB 4.35Å; T173-K179 HydrophobicContact CG2-CB 4.04Å; T173-V189 HydrophobicContact CG2-CG2 3.78Å; T173-Y190 PolarHBondContact N-O 3.14Å; T173-K191 VanDerWaalsContact O-CA 3.29Å; T173-K191 WeakPolarHBondContact O-CA 3.43Å
174N84.1Confident83.3Confident41 Ų4149.4 Ų49.422%0.21926%0.261CS..SBendtrans-96.4-7.2170-71.4-15.6000112.2F192N174-F192 WeakPolarHBondContact OD1-CB 3.4Å
175D82.7Confident84.6Confident52 Ų5246.7 Ų46.728%0.27824%0.242SC..  trans-87.9115.4179.2-176.2-19000110.4T173 G177 N178 K179T173-D175 PolarHBondContact OG1-N 3.17Å; T173-D175 VanDerWaalsContact OG1-N 3.13Å; D175-G177 VanDerWaalsContact C-N 3.28Å; D175-G177 PolarHBondContact O-N 2.81Å; D175-G177 WeakPolarHBondContact OD1-CA 3.44Å; D175-G177 PolarHBondContact OD1-N 3.02Å; D175-N178 HydrophobicContact CB-CB 3.83Å; D175-N178 PolarHBondContact O-N 2.94Å; D175-N178 PolarHBondContact OD1-N 3.34Å; D175-K179 PolarHBondContact O-N 3.47Å
176Q82.1Confident85.8Confident89 Ų8943.9 Ų43.942%0.41624%0.243SC..Hα-helixtrans-59.2-38.6177.6-171.570.131.200112.4K179 L180Q176-K179 PolarHBondContact O-N 3.39Å; Q176-L180 WeakPolarHBondContact O-CG 3.41Å; Q176-L180 PolarHBondContact O-N 2.9Å; Q176-L180 VanDerWaalsContact O-N 3.1Å
177G83Confident86.7Confident31 Ų3143.6 Ų43.632%0.3224%0.238SC..Hα-helixtrans-67.9-36.9178.200000112D175 K181D175-G177 VanDerWaalsContact C-N 3.28Å; D175-G177 PolarHBondContact O-N 2.81Å; D175-G177 WeakPolarHBondContact OD1-CA 3.44Å; D175-G177 PolarHBondContact OD1-N 3.02Å; G177-K181 WeakPolarHBondContact O-CG 3.2Å; G177-K181 PolarHBondContact O-N 3.37Å
178N84.8Confident87.1Confident2 Ų244.3 Ų44.31%0.01124%0.244CC..Hα-helixtrans-68.1-41.3174.4-165.416.6000111.3D66 R147 T173 D175 K181 A182D66-N178 PolarHBondContact OD2-ND2 3.33Å; R147-N178 PolarHBondContact NH1-OD1 2.73Å; T173-N178 HydrophobicContact CG2-CB 4.35Å; D175-N178 HydrophobicContact CB-CB 3.83Å; D175-N178 PolarHBondContact O-N 2.94Å; D175-N178 PolarHBondContact OD1-N 3.34Å; N178-K181 PolarHBondContact O-N 2.94Å; N178-A182 WeakPolarHBondContact O-CB 3.42Å; N178-A182 PolarHBondContact O-N 3.14Å
179K86.8Confident87.3Confident21 Ų2141 Ų419%0.09123%0.23CC..Hα-helixtrans-55.8-54.2175.3-174.4179.4-180179.10111.7T173 D175 Q176 K181 A182 E183 V189 K191 E194T173-K179 HydrophobicContact CG2-CB 4.04Å; D175-K179 PolarHBondContact O-N 3.47Å; Q176-K179 PolarHBondContact O-N 3.39Å; K179-K181 PolarHBondContact O-N 2.95Å; K179-A182 WeakPolarHBondContact O-CB 3.49Å; K179-A182 PolarHBondContact O-N 3.18Å; K179-A182 VanDerWaalsContact O-N 3.08Å; K179-E183 WeakPolarHBondContact CE-OE1 3.35Å; K179-E183 WeakPolarHBondContact O-CG 3.43Å; K179-E183 PolarHBondContact O-N 3.14Å; K179-V189 HydrophobicContact CB-CG2 4.38Å; K179-V189 HydrophobicContact CG-CG1 3.9Å; K179-V189 HydrophobicContact CG-CG2 4.11Å; K179-K191 HydrophobicContact CD-CG 4.08Å; K179-E194 VanDerWaalsContact NZ-CD 3.31Å; K179-E194 IonicContact NZ-OE1 3.95Å; K179-E194 PolarHBondContact NZ-OE1 3.04Å; K179-E194 VanDerWaalsContact NZ-OE1 3.07Å; K179-E194 IonicContact NZ-OE2 2.98Å; K179-E194 PolarHBondContact NZ-OE2 3.31Å
180L88.3Confident87.4Confident84 Ų8443.3 Ų43.344%0.4424%0.239SC..Hα-helixtrans-58.1-45.4-179.2-68.6170.2000112.2Q176 A182 E183 E184Q176-L180 WeakPolarHBondContact O-CG 3.41Å; Q176-L180 PolarHBondContact O-N 2.9Å; Q176-L180 VanDerWaalsContact O-N 3.1Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.47Å; L180-E183 PolarHBondContact O-N 2.65Å; L180-E184 WeakPolarHBondContact O-CG 3.25Å; L180-E184 PolarHBondContact O-N 3.42Å
181K88.2Confident87.3Confident91 Ų9146 Ų4640%0.39625%0.25SS..Hα-helixtrans-65.7-32.7177.2-69.2173.4-176.3172.60112.8G177 N178 K179 T185G177-K181 WeakPolarHBondContact O-CG 3.2Å; G177-K181 PolarHBondContact O-N 3.37Å; N178-K181 PolarHBondContact O-N 2.94Å; K179-K181 PolarHBondContact O-N 2.95Å; K181-T185 WeakPolarHBondContact O-CG2 3.45Å; K181-T185 PolarHBondContact O-N 3.12Å; K181-T185 PolarHBondContact O-OG1 3.43Å
182A87.6Confident87Confident0 Ų046 Ų460%025%0.251CS..Hα-helixtrans-70.7-41176.200000111.5R147 L171 N178 K179 L180 T185 G186 V187 V189R147-A182 HydrophobicContact CG-CB 4.21Å; L171-A182 HydrophobicContact CD2-CB 3.92Å; N178-A182 WeakPolarHBondContact O-CB 3.42Å; N178-A182 PolarHBondContact O-N 3.14Å; K179-A182 WeakPolarHBondContact O-CB 3.49Å; K179-A182 PolarHBondContact O-N 3.18Å; K179-A182 VanDerWaalsContact O-N 3.08Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.47Å; A182-T185 WeakPolarHBondContact CA-OG1 3.46Å; A182-T185 PolarHBondContact O-N 2.69Å; A182-T185 PolarHBondContact O-OG1 3.48Å; A182-G186 PolarHBondContact O-N 2.9Å; A182-V187 HydrophobicContact CB-CB 4.32Å; A182-V187 PolarHBondContact O-N 2.99Å; A182-V189 HydrophobicContact CB-CB 3.93Å; A182-V189 HydrophobicContact CB-CG1 3.79Å; A182-V189 HydrophobicContact CB-CG2 4.13Å
183E89Confident86.6Confident96 Ų9648.3 Ų48.345%0.44926%0.263SS..Hα-helixtrans-61.1-45.9174.2-68.6174.8174.800111.4K179 L180 T185 G186 V189K179-E183 WeakPolarHBondContact CE-OE1 3.35Å; K179-E183 WeakPolarHBondContact O-CG 3.43Å; K179-E183 PolarHBondContact O-N 3.14Å; L180-E183 PolarHBondContact O-N 2.65Å; E183-T185 PolarHBondContact O-N 2.85Å; E183-G186 PolarHBondContact O-N 3.3Å; E183-G186 VanDerWaalsContact O-N 3.08Å; E183-V189 HydrophobicContact CG-CG1 3.43Å; E183-V189 VanDerWaalsContact CG-CG1 3.43Å
184E88.8Confident86.5Confident163 Ų16351.5 Ų51.576%0.76228%0.278SS*.Hα-helixtrans-59.4-30.9176.2-74175.5179.600113.2L180 G186L180-E184 WeakPolarHBondContact O-CG 3.25Å; L180-E184 PolarHBondContact O-N 3.42Å; E184-G186 VanDerWaalsContact C-N 3.31Å
185T83Confident86.6Confident61 Ų6149.6 Ų49.637%0.37427%0.268SS..THydrogen-bonded Turntrans-88.62.5-179.350.50000113.7K181 A182 E183K181-T185 WeakPolarHBondContact O-CG2 3.45Å; K181-T185 PolarHBondContact O-N 3.12Å; K181-T185 PolarHBondContact O-OG1 3.43Å; A182-T185 WeakPolarHBondContact CA-OG1 3.46Å; A182-T185 PolarHBondContact O-N 2.69Å; A182-T185 PolarHBondContact O-OG1 3.48Å; E183-T185 PolarHBondContact O-N 2.85Å
186G82.5Confident86.8Confident68 Ų6847.1 Ų47.170%0.70126%0.255SS*.THydrogen-bonded Turntrans77.921.8177.800000114.1A182 E183 E184A182-G186 PolarHBondContact O-N 2.9Å; E183-G186 PolarHBondContact O-N 3.3Å; E183-G186 VanDerWaalsContact O-N 3.08Å; E184-G186 VanDerWaalsContact C-N 3.31Å
187V87.6Confident86.9Confident8 Ų848.8 Ų48.85%0.04826%0.26CS..  trans-91.1135.6175.7173.20000109.4V150 K151 L171 A182 V189V150-V187 HydrophobicContact CB-CG1 4.07Å; V150-V187 HydrophobicContact CG1-CG1 3.39Å; K151-V187 HydrophobicContact CB-CG2 4.04Å; L171-V187 HydrophobicContact CB-CG1 4.09Å; L171-V187 HydrophobicContact CD2-CG1 4.46Å; A182-V187 HydrophobicContact CB-CB 4.32Å; A182-V187 PolarHBondContact O-N 2.99Å; V187-V189 PolarHBondContact O-N 3.41Å
188V88Confident87Confident44 Ų4447.7 Ų47.727%0.26725%0.248SC..EExtended strand (participates in β ladder)trans-72.1118.1172.2-176.70000108.3V170 L171 Y190V170-V188 HydrophobicContact CG2-CG1 4.08Å; L171-V188 PolarHBondContact N-O 3.31Å; V188-Y190 HydrophobicContact CG1-CD2 4.38Å; V188-Y190 HydrophobicContact CG1-CE2 3.59Å
189V91.6Very high86.9Confident6 Ų648.3 Ų48.34%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-138140.1-175.461.60000110.7L171 T173 K179 A182 E183 V187L171-V189 HydrophobicContact CB-CB 4.2Å; L171-V189 HydrophobicContact CB-CG2 4.08Å; L171-V189 HydrophobicContact CD2-CG2 4.06Å; L171-V189 HydrophobicContact CG-CG2 3.97Å; L171-V189 VanDerWaalsContact O-CA 3.31Å; L171-V189 WeakPolarHBondContact O-CA 3.42Å; L171-V189 WeakPolarHBondContact O-CG2 3.38Å; T173-V189 HydrophobicContact CG2-CG2 3.78Å; K179-V189 HydrophobicContact CB-CG2 4.38Å; K179-V189 HydrophobicContact CG-CG1 3.9Å; K179-V189 HydrophobicContact CG-CG2 4.11Å; A182-V189 HydrophobicContact CB-CB 3.93Å; A182-V189 HydrophobicContact CB-CG1 3.79Å; A182-V189 HydrophobicContact CB-CG2 4.13Å; E183-V189 HydrophobicContact CG-CG1 3.43Å; E183-V189 VanDerWaalsContact CG-CG1 3.43Å; V187-V189 PolarHBondContact O-N 3.41Å
190Y90.9Very high86.4Confident49 Ų4951.5 Ų51.519%0.19227%0.268CS..EExtended strand (participates in β ladder)trans-134.4157.3173.5-62.7-72000109.9L56 V170 L171 T173 V188L56-Y190 HydrophobicContact CD1-CD1 4.31Å; L56-Y190 HydrophobicContact CD2-CE1 4.2Å; V170-Y190 HydrophobicContact CG1-CD2 3.61Å; V170-Y190 HydrophobicContact CG1-CE2 4.11Å; L171-Y190 PolarHBondContact O-N 3.37Å; T173-Y190 PolarHBondContact N-O 3.14Å; V188-Y190 HydrophobicContact CG1-CD2 4.38Å; V188-Y190 HydrophobicContact CG1-CE2 3.59Å
191K88.8Confident85.3Confident56 Ų5650.8 Ų50.824%0.24328%0.281CS..EExtended strand (participates in β ladder)trans-67.2148.6163-67-171.9173.1-178.80109.7T173 K179 D193 E194 Y195T173-K191 VanDerWaalsContact O-CA 3.29Å; T173-K191 WeakPolarHBondContact O-CA 3.43Å; K179-K191 HydrophobicContact CD-CG 4.08Å; K191-D193 VanDerWaalsContact C-N 3.27Å; K191-D193 WeakPolarHBondContact CB-OD1 3.41Å; K191-D193 PolarHBondContact O-N 3.24Å; K191-E194 HydrophobicContact CB-CB 4.12Å; K191-E194 HydrophobicContact CB-CG 3.86Å; K191-E194 HydrophobicContact CG-CG 4.48Å; K191-E194 PolarHBondContact N-OE2 3.49Å; K191-E194 PolarHBondContact O-N 2.89Å; K191-Y195 PolarHBondContact O-N 2.69Å
192F86.4Confident84.5Confident2 Ų249 Ų491%0.00928%0.276CS..Hα-helixtrans-60.5-41.3178.3-168.4-99.8000111.5V69 Q73 V76 L77 L172 N174 Y195 I196 L209V69-F192 HydrophobicContact CB-CD2 4.37Å; V69-F192 HydrophobicContact CG1-CB 4.4Å; V69-F192 HydrophobicContact CG1-CD1 4.5Å; V69-F192 HydrophobicContact CG1-CD2 3.22Å; V69-F192 HydrophobicContact CG1-CE2 3.45Å; V69-F192 VanDerWaalsContact CG1-CE2 3.45Å; V69-F192 HydrophobicContact CG1-CG 3.8Å; V69-F192 HydrophobicContact CG1-CZ 4.18Å; V69-F192 HydrophobicContact CG2-CB 4.03Å; V69-F192 HydrophobicContact CG2-CD2 4.23Å; V69-F192 HydrophobicContact CG2-CG 4.34Å; Q73-F192 HydrophobicContact CB-CD1 3.89Å; Q73-F192 HydrophobicContact CB-CE1 3.45Å; Q73-F192 VanDerWaalsContact CB-CE1 3.45Å; Q73-F192 HydrophobicContact CB-CZ 3.9Å; Q73-F192 HydrophobicContact CG-CD1 3.59Å; Q73-F192 HydrophobicContact CG-CE1 3.68Å; Q73-F192 HydrophobicContact CG-CG 4.35Å; V76-F192 HydrophobicContact CB-CE1 3.96Å; V76-F192 HydrophobicContact CB-CZ 3.94Å; V76-F192 HydrophobicContact CG1-CE1 3.86Å; V76-F192 HydrophobicContact CG1-CZ 3.7Å; V76-F192 HydrophobicContact CG2-CE1 4.21Å; L77-F192 HydrophobicContact CD2-CE2 4.3Å; L77-F192 HydrophobicContact CD2-CZ 4.49Å; L172-F192 HydrophobicContact CB-CD2 4.09Å; L172-F192 HydrophobicContact CD1-CD2 3.72Å; L172-F192 HydrophobicContact CD1-CE2 3.89Å; L172-F192 HydrophobicContact CG-CD2 4.45Å; N174-F192 WeakPolarHBondContact OD1-CB 3.4Å; F192-Y195 PolarHBondContact O-N 2.96Å; F192-I196 HydrophobicContact CD1-CG1 4.02Å; F192-I196 HydrophobicContact CE1-CD1 4.25Å; F192-I196 HydrophobicContact CE1-CG1 3.69Å; F192-I196 HydrophobicContact CZ-CD1 4.06Å; F192-I196 HydrophobicContact CZ-CG1 3.99Å; F192-I196 WeakPolarHBondContact O-CG1 3.17Å; F192-I196 PolarHBondContact O-N 3.23Å; F192-L209 HydrophobicContact CD1-CD2 3.54Å; F192-L209 HydrophobicContact CE1-CD2 3.64Å
193D85.1Confident83.6Confident51 Ų5153.3 Ų53.327%0.27330%0.304SS..Hα-helixtrans-67.3-40.1178.978.1-54.4000112.6K191 Y195 K197 L209K191-D193 VanDerWaalsContact C-N 3.27Å; K191-D193 WeakPolarHBondContact CB-OD1 3.41Å; K191-D193 PolarHBondContact O-N 3.24Å; D193-Y195 VanDerWaalsContact C-N 3.34Å; D193-K197 WeakPolarHBondContact O-CB 3.48Å; D193-K197 WeakPolarHBondContact O-CD 3.3Å; D193-K197 WeakPolarHBondContact O-CG 3.34Å; D193-K197 PolarHBondContact O-N 2.94Å; D193-K197 IonicContact OD2-NZ 3.85Å; D193-K197 PolarHBondContact OD2-NZ 3.42Å; D193-L209 HydrophobicContact CB-CD1 4.09Å
194E86.4Confident82.8Confident66 Ų6654.7 Ų54.731%0.30831%0.31SS..Hα-helixtrans-59.4-45.6173.4-70.7167.3179.100111.1L56 K179 K191 S198L56-E194 WeakPolarHBondContact CD1-O 3.27Å; K179-E194 VanDerWaalsContact NZ-CD 3.31Å; K179-E194 IonicContact NZ-OE1 3.95Å; K179-E194 PolarHBondContact NZ-OE1 3.04Å; K179-E194 VanDerWaalsContact NZ-OE1 3.07Å; K179-E194 IonicContact NZ-OE2 2.98Å; K179-E194 PolarHBondContact NZ-OE2 3.31Å; K191-E194 HydrophobicContact CB-CB 4.12Å; K191-E194 HydrophobicContact CB-CG 3.86Å; K191-E194 HydrophobicContact CG-CG 4.48Å; K191-E194 PolarHBondContact N-OE2 3.49Å; K191-E194 PolarHBondContact O-N 2.89Å; E194-S198 PolarHBondContact O-N 3.29Å
195Y87.9Confident82.3Confident1 Ų147.2 Ų47.20%0.00428%0.275CS..Hα-helixtrans-63.8-49.4179.4178.8-99.3000111.4H61 L63 L172 K191 F192 D193 K197 S198 L199H61-Y195 AromaticContact NE2-CE2 3.72Å; H61-Y195 AromaticContact NE2-CZ 3.71Å; H61-Y195 PolarHBondContact NE2-OH 2.99Å; L63-Y195 HydrophobicContact CD1-CE1 3.95Å; L63-Y195 HydrophobicContact CD2-CE1 4.12Å; L63-Y195 HydrophobicContact CD2-CE2 4.02Å; L172-Y195 HydrophobicContact CD1-CD1 4.06Å; L172-Y195 HydrophobicContact CD1-CE1 4.44Å; L172-Y195 HydrophobicContact CD1-CG 4.49Å; L172-Y195 HydrophobicContact CD2-CD1 4.12Å; L172-Y195 HydrophobicContact CD2-CD2 4.14Å; L172-Y195 HydrophobicContact CD2-CG 3.7Å; K191-Y195 PolarHBondContact O-N 2.69Å; F192-Y195 PolarHBondContact O-N 2.96Å; D193-Y195 VanDerWaalsContact C-N 3.34Å; Y195-K197 PolarHBondContact O-N 2.91Å; Y195-S198 WeakPolarHBondContact O-CB 3.37Å; Y195-S198 PolarHBondContact O-N 3.45Å; Y195-S198 VanDerWaalsContact O-N 3.07Å; Y195-S198 PolarHBondContact O-OG 3.12Å; Y195-L199 HydrophobicContact CE1-CD2 4.11Å
196I85.9Confident82.1Confident1 Ų146.3 Ų46.31%0.00527%0.27CS..Hα-helixtrans-63.6-40.8179.9-64.7-58.6000111.8V76 I82 F192 S198 L199 L205 V206 L209V76-I196 HydrophobicContact CG1-CD1 3.71Å; V76-I196 HydrophobicContact CG1-CG1 4.17Å; I82-I196 HydrophobicContact CD1-CD1 4.25Å; F192-I196 HydrophobicContact CD1-CG1 4.02Å; F192-I196 HydrophobicContact CE1-CD1 4.25Å; F192-I196 HydrophobicContact CE1-CG1 3.69Å; F192-I196 HydrophobicContact CZ-CD1 4.06Å; F192-I196 HydrophobicContact CZ-CG1 3.99Å; F192-I196 WeakPolarHBondContact O-CG1 3.17Å; F192-I196 PolarHBondContact O-N 3.23Å; I196-S198 PolarHBondContact O-N 2.95Å; I196-L199 HydrophobicContact CD1-CD1 3.79Å; I196-L199 WeakPolarHBondContact O-CB 3.39Å; I196-L199 WeakPolarHBondContact O-CG 3.27Å; I196-L199 PolarHBondContact O-N 3.21Å; I196-L205 HydrophobicContact CG2-CB 3.78Å; I196-V206 HydrophobicContact CG2-CG2 4.22Å; I196-L209 HydrophobicContact CB-CD1 4.18Å; I196-L209 HydrophobicContact CB-CD2 4.17Å; I196-L209 HydrophobicContact CB-CG 4.46Å; I196-L209 HydrophobicContact CG1-CD2 4.02Å; I196-L209 HydrophobicContact CG2-CD1 4.06Å; I196-L209 HydrophobicContact CG2-CD2 4.33Å; I196-L209 HydrophobicContact CG2-CG 4.18Å
197K83.9Confident81.6Confident123 Ų12343.6 Ų43.654%0.53524%0.239SC..Hα-helixtrans-63.1-20.7175.5-72.3165.8-172.4162.80113.5D193 Y195 V206D193-K197 WeakPolarHBondContact O-CB 3.48Å; D193-K197 WeakPolarHBondContact O-CD 3.3Å; D193-K197 WeakPolarHBondContact O-CG 3.34Å; D193-K197 PolarHBondContact O-N 2.94Å; D193-K197 IonicContact OD2-NZ 3.85Å; D193-K197 PolarHBondContact OD2-NZ 3.42Å; Y195-K197 PolarHBondContact O-N 2.91Å; K197-V206 HydrophobicContact CG-CG1 4.17Å; K197-V206 HydrophobicContact CG-CG2 4.24Å
198S84.6Confident81Confident8 Ų843.7 Ų43.76%0.05624%0.24CC..THydrogen-bonded Turntrans-86.9-11.3-179.879.70000114.6S54 S55 L56 E194 Y195 I196 I200S54-S198 PolarHBondContact OG-OG 3.19Å; S55-S198 PolarHBondContact N-O 2.87Å; S55-S198 WeakPolarHBondContact OG-CB 3.44Å; S55-S198 PolarHBondContact OG-O 2.84Å; L56-S198 VanDerWaalsContact CG-CB 3.43Å; E194-S198 PolarHBondContact O-N 3.29Å; Y195-S198 WeakPolarHBondContact O-CB 3.37Å; Y195-S198 PolarHBondContact O-N 3.45Å; Y195-S198 VanDerWaalsContact O-N 3.07Å; Y195-S198 PolarHBondContact O-OG 3.12Å; I196-S198 PolarHBondContact O-N 2.95Å; S198-I200 PolarHBondContact O-N 2.99Å
199L83.3Confident80.6Confident15 Ų1542.7 Ų42.78%0.07923%0.233CC..BIsolated β-bridgetrans-66.2127.5-178.4-64.1-178.4000110.7I52 I82 Y195 I196 L205I52-L199 HydrophobicContact CG2-CD2 3.26Å; I82-L199 HydrophobicContact CD1-CD1 4.36Å; Y195-L199 HydrophobicContact CE1-CD2 4.11Å; I196-L199 HydrophobicContact CD1-CD1 3.79Å; I196-L199 WeakPolarHBondContact O-CB 3.39Å; I196-L199 WeakPolarHBondContact O-CG 3.27Å; I196-L199 PolarHBondContact O-N 3.21Å; L199-L205 HydrophobicContact CD1-CD1 3.72Å
200I76.2Confident79.9Confident88 Ų8842.9 Ų42.945%0.45124%0.236SC..SBendtrans-83.6136.8-179.9-56.6175000108.3E53 S198 N202E53-I200 HydrophobicContact CB-CB 4.16Å; E53-I200 PolarHBondContact O-N 2.79Å; S198-I200 PolarHBondContact O-N 2.99Å; I200-N202 VanDerWaalsContact C-N 3.3Å; I200-N202 PolarHBondContact O-N 2.89Å; I200-N202 PolarHBondContact O-ND2 3.13Å
201G65.6Low78.8Confident69 Ų6943.7 Ų43.771%0.71124%0.243SC*.SBendtrans79.1-2.6174.600000116.4
202N71.3Confident77.3Confident55 Ų5543.2 Ų43.229%0.29425%0.247SC..  trans-127.863.1-176.5-62.6-65.8000113.3I200 E204 L205I200-N202 VanDerWaalsContact C-N 3.3Å; I200-N202 PolarHBondContact O-N 2.89Å; I200-N202 PolarHBondContact O-ND2 3.13Å; N202-E204 PolarHBondContact O-N 3.25Å; N202-L205 HydrophobicContact CB-CD1 3.94Å; N202-L205 HydrophobicContact CB-CG 4.29Å; N202-L205 PolarHBondContact O-N 3.29Å
203P70Confident75.5Confident90 Ų9049.9 Ų49.958%0.58428%0.282SS*.THydrogen-bonded Turntrans-66.1-16178.830.1-35.8000113.3V206 Q387P203-V206 PolarHBondContact O-N 2.69Å; P203-Q387 PolarHBondContact O-NE2 2.97Å
204E71.4Confident73.5Confident125 Ų12553.9 Ų53.958%0.58430%0.304SS*.Hα-helixtrans-66.9-34.5178.8-61.3-178.6-176.200112.9N202 V206 D207 Q387N202-E204 PolarHBondContact O-N 3.25Å; E204-V206 PolarHBondContact O-N 3.03Å; E204-D207 PolarHBondContact O-N 2.96Å; E204-Q387 VanDerWaalsContact CA-NE2 3.29Å
205L77.9Confident71.6Confident5 Ų555.9 Ų55.93%0.02632%0.316CS..Hα-helixtrans-66.6-24.3-179.6-67.2175.3000113.3V76 D79 V81 I196 L199 N202 D207 C208V76-L205 HydrophobicContact CG1-CD2 4.49Å; D79-L205 HydrophobicContact CB-CD2 3.64Å; V81-L205 HydrophobicContact CB-CD1 4.3Å; V81-L205 HydrophobicContact CG1-CD1 4.17Å; I196-L205 HydrophobicContact CG2-CB 3.78Å; L199-L205 HydrophobicContact CD1-CD1 3.72Å; N202-L205 HydrophobicContact CB-CD1 3.94Å; N202-L205 HydrophobicContact CB-CG 4.29Å; N202-L205 PolarHBondContact O-N 3.29Å; L205-D207 VanDerWaalsContact C-N 3.31Å; L205-C208 PolarHBondContact O-N 3.18Å
206V78.6Confident69.3Low42 Ų4264.2 Ų64.226%0.25535%0.353SS..Hα-helixtrans-67.6-35.9177.7-179.30000110.8I196 K197 P203 E204 C208 L209I196-V206 HydrophobicContact CG2-CG2 4.22Å; K197-V206 HydrophobicContact CG-CG1 4.17Å; K197-V206 HydrophobicContact CG-CG2 4.24Å; P203-V206 PolarHBondContact O-N 2.69Å; E204-V206 PolarHBondContact O-N 3.03Å; V206-C208 PolarHBondContact O-N 2.69Å; V206-L209 HydrophobicContact CG1-CD1 4.37Å; V206-L209 WeakPolarHBondContact O-CB 3.29Å; V206-L209 PolarHBondContact O-N 2.93Å
207D73.1Confident66.9Low11 Ų1171 Ų716%0.05939%0.389CS..Hα-helixtrans-74.8-17.3177.8-69.9-10.6000111.7E204 L205 L209 T385 R386 Q387 F414E204-D207 PolarHBondContact O-N 2.96Å; L205-D207 VanDerWaalsContact C-N 3.31Å; D207-L209 VanDerWaalsContact C-N 3.33Å; D207-T385 WeakPolarHBondContact OD2-CB 3.44Å; D207-T385 PolarHBondContact OD2-OG1 3.45Å; D207-R386 PolarHBondContact OD1-N 2.75Å; D207-Q387 VanDerWaalsContact OD2-CG 3.24Å; D207-Q387 WeakPolarHBondContact OD2-CG 3.5Å; D207-F414 HydrophobicContact CB-CB 4.27Å; D207-F414 HydrophobicContact CB-CD1 4.13Å; D207-F414 PolarHBondContact O-N 3.37Å
208C74.8Confident64.8Low10 Ų1073.1 Ų73.17%0.06840%0.401CS..THydrogen-bonded Turntrans-84-1.2173.7-57.20000114.8V76 L205 V206 A210 H413 F414 V415V76-C208 HydrophobicContact CG2-CB 3.88Å; V76-C208 WeakPolarHBondContact CG2-O 3.45Å; L205-C208 PolarHBondContact O-N 3.18Å; V206-C208 PolarHBondContact O-N 2.69Å; C208-A210 PolarHBondContact O-N 3.03Å; C208-H413 PolarHBondContact O-CD2 3.31Å; C208-F414 WeakPolarHBondContact CA-O 3.42Å; C208-F414 PolarHBondContact SG-O 3.47Å; C208-F414 VanDerWaalsContact SG-O 3.35Å; C208-V415 PolarHBondContact SG-O 3.27Å
209L80.1Confident62.6Low23 Ų2377 Ų7712%0.1242%0.42CS..PPolyproline II helixtrans-74119.8177.1-72.5169.1000111V76 F192 D193 I196 V206 D207 H413V76-L209 HydrophobicContact CG2-CD2 4.44Å; F192-L209 HydrophobicContact CD1-CD2 3.54Å; F192-L209 HydrophobicContact CE1-CD2 3.64Å; D193-L209 HydrophobicContact CB-CD1 4.09Å; I196-L209 HydrophobicContact CB-CD1 4.18Å; I196-L209 HydrophobicContact CB-CD2 4.17Å; I196-L209 HydrophobicContact CB-CG 4.46Å; I196-L209 HydrophobicContact CG1-CD2 4.02Å; I196-L209 HydrophobicContact CG2-CD1 4.06Å; I196-L209 HydrophobicContact CG2-CD2 4.33Å; I196-L209 HydrophobicContact CG2-CG 4.18Å; V206-L209 HydrophobicContact CG1-CD1 4.37Å; V206-L209 WeakPolarHBondContact O-CB 3.29Å; V206-L209 PolarHBondContact O-N 2.93Å; D207-L209 VanDerWaalsContact C-N 3.33Å; L209-H413 WeakPolarHBondContact O-CB 3.2Å
210A75.5Confident60.4Low11 Ų1182.7 Ų82.79%0.09146%0.455CS..PPolyproline II helixtrans-65.2141.1169.500000110.9H72 Q73 C208H72-A210 WeakPolarHBondContact O-CB 3.48Å; Q73-A210 PolarHBondContact NE2-O 3.46Å; C208-A210 PolarHBondContact O-N 3.03Å
211L67.8Low58.8Low65 Ų6583.7 Ų83.734%0.3447%0.471SS..PPolyproline II helixtrans-71.6133.1178.1-71.1169.8000111D401 N411L211-D401 PolarHBondContact N-OD2 3.45Å; L211-N411 HydrophobicContact CD1-CB 4.33Å
212S57Low57.9Low47 Ų4783 Ų8333%0.32945%0.454SS..PPolyproline II helixtrans-78.4142.7177.784.60000111D214 D215S212-D214 PolarHBondContact O-N 3.14Å; S212-D215 PolarHBondContact O-N 2.87Å; S212-D215 PolarHBondContact OG-N 2.9Å; S212-D215 PolarHBondContact OG-OD2 2.75Å
213N49.3Very low57.3Low142 Ų14289.4 Ų89.476%0.75948%0.48SS*.THydrogen-bonded Turntrans-66.5-13.9174.9-81.2-28.9000113.3
214D43.8Very low56.9Low134 Ų13489.7 Ų89.772%0.71748%0.48SS*.THydrogen-bonded Turntrans-87.3-12.7-179.2-77.7-21.4000113.1S212 K216S212-D214 PolarHBondContact O-N 3.14Å; D214-K216 PolarHBondContact O-N 3.25Å
215D45.4Very low57Low108 Ų10886.8 Ų86.858%0.57847%0.468SS*.  trans-74.859.7167.6-67.7-50.1000110.3S212 N217S212-D215 PolarHBondContact O-N 2.87Å; S212-D215 PolarHBondContact OG-N 2.9Å; S212-D215 PolarHBondContact OG-OD2 2.75Å; D215-N217 PolarHBondContact O-N 3.03Å
216K40.3Very low57.3Low177 Ų17787 Ų8777%0.7747%0.469SS*.  trans-71.960.7164-68.7-179.5-178.9169.80109.3D214 E218D214-K216 PolarHBondContact O-N 3.25Å; K216-E218 PolarHBondContact O-N 3.2Å
217N35.2Very low57.8Low143 Ų14387.8 Ų87.877%0.76547%0.474SS*.  trans-74.4114.9165.1-86.4-17.8000108.8D215 I219D215-N217 PolarHBondContact O-N 3.03Å; N217-I219 PolarHBondContact O-N 3.2Å
218E39.4Very low58.5Low168 Ų16893.7 Ų93.779%0.78550%0.501SS*.  trans-17.4100.9169.2-63177.6154.700115.2K216K216-E218 PolarHBondContact O-N 3.2Å
219I39.5Very low59.3Low90 Ų9095.9 Ų95.946%0.46251%0.511SS..  trans-114.186.3146.8-56.8176.2000105.4N217 S221N217-I219 PolarHBondContact O-N 3.2Å; I219-S221 PolarHBondContact O-N 3.3Å
220T36.5Very low59.8Low133 Ų13397.8 Ų97.882%0.81652%0.521SS*.  trans-81.417.1-178.4350000113.5
221S42.6Very low60.5Low110 Ų110100.5 Ų100.577%0.76954%0.538SS*.  trans-151.255.1-176.177.50000116.5I219I219-S221 PolarHBondContact O-N 3.3Å
222S46.2Very low61.4Low53 Ų53101.3 Ų101.337%0.37154%0.542SS..  trans-128.9133.5168.247.60000112.2V224S222-V224 PolarHBondContact O-N 2.77Å
223K59.3Low62.8Low191 Ų191102.9 Ų102.983%0.8355%0.553SS**  trans-48.3131.2168.9-117.9174.7174.9-178.70108.4L225K223-L225 PolarHBondContact O-N 2.66Å
224V60.4Low64.7Low96 Ų96102.5 Ų102.558%0.58254%0.544SS*.  trans-66.5107173.6178.80000108.2S222 F226 K405S222-V224 PolarHBondContact O-N 2.77Å; V224-F226 WeakPolarHBondContact CG1-O 3.34Å; V224-K405 HydrophobicContact CG1-CD 4.32Å; V224-K405 HydrophobicContact CG1-CG 4.44Å
225L74.9Confident66.9Low63 Ų6396.2 Ų96.233%0.3351%0.511SS..  trans-78.1-33.4-175.8-73.1167.8000112.6K223 K405 R408K223-L225 PolarHBondContact O-N 2.66Å; L225-K405 PolarHBondContact N-O 2.97Å; L225-R408 HydrophobicContact CD1-CB 4.25Å
226F84.4Confident68.9Low11 Ų1195.8 Ų95.85%0.04851%0.505CS..SBendtrans-124.3145.9-173.8-66.8-78.3000113.2V224 L278 R283 W403 K405 S407V224-F226 WeakPolarHBondContact CG1-O 3.34Å; F226-L278 HydrophobicContact CE1-CB 4.3Å; F226-L278 WeakPolarHBondContact CE1-O 3.47Å; F226-R283 HydrophobicContact CB-CG 4.12Å; F226-R283 HydrophobicContact CD1-CG 3.95Å; F226-R283 HydrophobicContact CD2-CG 3.83Å; F226-R283 HydrophobicContact CE1-CG 4.27Å; F226-R283 HydrophobicContact CE2-CG 4.16Å; F226-R283 HydrophobicContact CG-CG 3.72Å; F226-R283 HydrophobicContact CZ-CG 4.36Å; F226-W403 HydrophobicContact CE2-CZ2 4.27Å; F226-W403 AromaticContact CE2-NE1 3.78Å; F226-W403 AromaticContact CZ-CZ2 4Å; F226-W403 HydrophobicContact CZ-CZ2 4Å; F226-K405 PolarHBondContact N-O 2.93Å; F226-S407 VanDerWaalsContact CE2-O 3.31Å; F226-S407 WeakPolarHBondContact CE2-O 3.47Å
227P87.5Confident71.3Confident58 Ų5890 Ų9038%0.37749%0.491SS..PPolyproline II helixtrans-60.9152.7175-19.830.7000113.5N282 R283P227-N282 PolarHBondContact O-OD1 3.4Å; P227-N282 VanDerWaalsContact O-OD1 3.14Å; P227-R283 PolarHBondContact O-NH1 3.31Å; P227-R283 PolarHBondContact O-NH2 3.48Å
228E89.1Confident73.8Confident134 Ų13483.5 Ų83.563%0.62646%0.457SS*.PPolyproline II helixtrans-70.3142.6172.9-66.7-168.6162.600111.5K405E228-K405 HydrophobicContact CG-CD 4.27Å; E228-K405 IonicContact OE1-NZ 3.92Å; E228-K405 PolarHBondContact OE1-NZ 3.41Å
229H91.8Very high76Confident57 Ų5777.9 Ų77.926%0.26443%0.432SS..PPolyproline II helixtrans-80.3134.5175.4-68.8157.3000110.4N282 R283H229-N282 PolarHBondContact CD2-ND2 3.12Å; H229-N282 PolarHBondContact NE2-O 3.24Å; H229-N282 PolarHBondContact NE2-OD1 3.47Å; H229-R283 PolarHBondContact CD2-NH2 2.92Å; H229-R283 PolarHBondContact CE1-NH2 3.36Å; H229-R283 VanDerWaalsContact CG-NH2 3.27Å; H229-R283 PolarHBondContact ND1-NH2 2.96Å; H229-R283 PolarHBondContact NE2-NH2 3.14Å; H229-R283 VanDerWaalsContact NE2-NH2 3.15Å
230L90.5Very high78.3Confident63 Ų6382.4 Ų82.433%0.3345%0.448SS..PPolyproline II helixtrans-66.7144.5174.8-65.9177.5000110.9V235 F244 V344L230-V235 HydrophobicContact CB-CG2 3.83Å; L230-F244 HydrophobicContact CD1-CE2 3.83Å; L230-F244 HydrophobicContact CD1-CZ 3.71Å; L230-V344 HydrophobicContact CD1-CB 4.14Å; L230-V344 HydrophobicContact CD1-CG2 4.33Å; L230-V344 PolarHBondContact N-O 3.26Å
231P88.8Confident80.8Confident68 Ų6880.1 Ų80.144%0.44244%0.438SS..PPolyproline II helixtrans-63.7146.9174.727.1-34.2000110.5S233 K234 V235P231-S233 PolarHBondContact O-N 2.84Å; P231-K234 HydrophobicContact CG-CB 4.17Å; P231-K234 HydrophobicContact CG-CD 4.05Å; P231-K234 HydrophobicContact CG-CG 4Å; P231-K234 PolarHBondContact O-N 3.2Å; P231-V235 PolarHBondContact O-N 3.44Å; P231-V235 VanDerWaalsContact O-N 3.1Å
232L87.4Confident82.8Confident82 Ų8277.5 Ų77.543%0.42943%0.428SS..Hα-helixtrans-54.3-32.2-174.4-172.466.2000113.1V235 Q236 I347L232-V235 PolarHBondContact O-N 2.78Å; L232-Q236 HydrophobicContact CD1-CG 4.43Å; L232-Q236 HydrophobicContact CG-CG 4.31Å; L232-Q236 WeakPolarHBondContact O-CB 3.19Å; L232-Q236 VanDerWaalsContact O-CG 3.25Å; L232-Q236 WeakPolarHBondContact O-CG 3.31Å; L232-Q236 PolarHBondContact O-N 3.38Å; L232-I347 HydrophobicContact CD1-CG1 4.48Å; L232-I347 HydrophobicContact CD1-CG2 4.28Å
233S87.1Confident84.7Confident80 Ų8077.9 Ų77.956%0.55943%0.431SS*.Hα-helixtrans-62.4-43.717655.80000113P231 A237P231-S233 PolarHBondContact O-N 2.84Å; S233-A237 WeakPolarHBondContact O-CB 3.24Å; S233-A237 PolarHBondContact O-N 3.38Å
234K89.6Confident86.2Confident133 Ų13370 Ų7058%0.57840%0.397SS*.Hα-helixtrans-70.6-38175.8-74.4-170.6177.9-178.10111.4P231 A237 G238P231-K234 HydrophobicContact CG-CB 4.17Å; P231-K234 HydrophobicContact CG-CD 4.05Å; P231-K234 HydrophobicContact CG-CG 4Å; P231-K234 PolarHBondContact O-N 3.2Å; K234-A237 PolarHBondContact O-N 3.17Å; K234-G238 PolarHBondContact O-N 3.46Å
235V88.9Confident87.7Confident2 Ų268 Ų681%0.01238%0.382CS..Hα-helixtrans-60.2-49.7174.9173.10000110.5L230 P231 L232 A237 G238 I239 A291 I347L230-V235 HydrophobicContact CB-CG2 3.83Å; P231-V235 PolarHBondContact O-N 3.44Å; P231-V235 VanDerWaalsContact O-N 3.1Å; L232-V235 PolarHBondContact O-N 2.78Å; V235-A237 PolarHBondContact O-N 3.35Å; V235-G238 PolarHBondContact O-N 3.06Å; V235-I239 HydrophobicContact CG1-CD1 3.81Å; V235-I239 VanDerWaalsContact O-CG1 3.29Å; V235-I239 WeakPolarHBondContact O-CG1 3.35Å; V235-I239 PolarHBondContact O-N 3.15Å; V235-A291 HydrophobicContact CG1-CB 3.4Å; V235-A291 VanDerWaalsContact CG1-CB 3.4Å; V235-I347 HydrophobicContact CG1-CD1 4.25Å; V235-I347 HydrophobicContact CG1-CG1 3.95Å
236Q88.5Confident88.4Confident99 Ų9969.1 Ų69.146%0.46339%0.386SS..Hα-helixtrans-63.9-39.3178-73.3175.1-3.800112.8L232 G238 I239 K240L232-Q236 HydrophobicContact CD1-CG 4.43Å; L232-Q236 HydrophobicContact CG-CG 4.31Å; L232-Q236 WeakPolarHBondContact O-CB 3.19Å; L232-Q236 VanDerWaalsContact O-CG 3.25Å; L232-Q236 WeakPolarHBondContact O-CG 3.31Å; L232-Q236 PolarHBondContact O-N 3.38Å; Q236-G238 VanDerWaalsContact C-N 3.34Å; Q236-I239 PolarHBondContact O-N 2.92Å; Q236-K240 WeakPolarHBondContact O-CG 3.22Å; Q236-K240 PolarHBondContact O-N 3.05Å
237A88.8Confident88.7Confident57 Ų5768.8 Ų68.847%0.47139%0.386SS..Hα-helixtrans-61.9-43.7173.900000111.2S233 K234 V235 K240 S241S233-A237 WeakPolarHBondContact O-CB 3.24Å; S233-A237 PolarHBondContact O-N 3.38Å; K234-A237 PolarHBondContact O-N 3.17Å; V235-A237 PolarHBondContact O-N 3.35Å; A237-K240 PolarHBondContact O-N 3.46Å; A237-S241 PolarHBondContact O-N 3.26Å; A237-S241 PolarHBondContact O-OG 3.25Å
238G87.8Confident88.9Confident6 Ų667.7 Ų67.76%0.06238%0.378CS..Hα-helixtrans-67.2-33.8177.600000114K234 V235 Q236 S241 G242 S243 F244K234-G238 PolarHBondContact O-N 3.46Å; V235-G238 PolarHBondContact O-N 3.06Å; Q236-G238 VanDerWaalsContact C-N 3.34Å; G238-S241 WeakPolarHBondContact CA-OG 3.12Å; G238-S241 PolarHBondContact O-OG 2.92Å; G238-G242 PolarHBondContact O-N 2.91Å; G238-S243 VanDerWaalsContact CA-OG 3.23Å; G238-S243 WeakPolarHBondContact CA-OG 3.17Å; G238-S243 PolarHBondContact O-N 2.91Å; G238-S243 PolarHBondContact O-OG 3.32Å; G238-S243 VanDerWaalsContact O-OG 3.04Å; G238-F244 PolarHBondContact O-N 2.95Å; G238-F244 VanDerWaalsContact O-N 3.08Å
239I87.3Confident89Confident49 Ų4961.6 Ų61.625%0.25135%0.349SS..Hα-helixtrans-66.1-44.5172.2-66.7162.2000110.1V235 Q236 S241 G242 F244 Q246 I347V235-I239 HydrophobicContact CG1-CD1 3.81Å; V235-I239 VanDerWaalsContact O-CG1 3.29Å; V235-I239 WeakPolarHBondContact O-CG1 3.35Å; V235-I239 PolarHBondContact O-N 3.15Å; Q236-I239 PolarHBondContact O-N 2.92Å; I239-S241 VanDerWaalsContact C-N 3.34Å; I239-S241 PolarHBondContact O-N 3.13Å; I239-G242 PolarHBondContact O-N 3.43Å; I239-G242 VanDerWaalsContact O-N 3.08Å; I239-F244 WeakPolarHBondContact CA-O 3.36Å; I239-F244 HydrophobicContact CG1-CB 4.13Å; I239-Q246 HydrophobicContact CD1-CB 4.11Å; I239-I347 HydrophobicContact CD1-CD1 3.73Å
240K87.5Confident88.9Confident185 Ų18563.3 Ų63.380%0.80435%0.354SS*.Hα-helixtrans-65.1-34.6177.9-73.9179.7-179.9-1760113.3Q236 A237Q236-K240 WeakPolarHBondContact O-CG 3.22Å; Q236-K240 PolarHBondContact O-N 3.05Å; A237-K240 PolarHBondContact O-N 3.46Å
241S88.5Confident88.8Confident85 Ų8561.3 Ų61.359%0.59435%0.346SS*.THydrogen-bonded Turntrans-80.9-2.1174.761.70000113.5A237 G238 I239 S243A237-S241 PolarHBondContact O-N 3.26Å; A237-S241 PolarHBondContact O-OG 3.25Å; G238-S241 WeakPolarHBondContact CA-OG 3.12Å; G238-S241 PolarHBondContact O-OG 2.92Å; I239-S241 VanDerWaalsContact C-N 3.34Å; I239-S241 PolarHBondContact O-N 3.13Å; S241-S243 PolarHBondContact O-N 3.44Å; S241-S243 PolarHBondContact OG-OG 3.43Å
242G83.9Confident88.6Confident55 Ų5559.8 Ų59.857%0.56734%0.337SS*.THydrogen-bonded Turntrans72.88.6-177.600000115G238 I239G238-G242 PolarHBondContact O-N 2.91Å; I239-G242 PolarHBondContact O-N 3.43Å; I239-G242 VanDerWaalsContact O-N 3.08Å
243S87.3Confident88Confident62 Ų6262.6 Ų62.643%0.43434%0.342SS..SBendtrans-79.8-24.217962.80000112.9G238 S241G238-S243 VanDerWaalsContact CA-OG 3.23Å; G238-S243 WeakPolarHBondContact CA-OG 3.17Å; G238-S243 PolarHBondContact O-N 2.91Å; G238-S243 PolarHBondContact O-OG 3.32Å; G238-S243 VanDerWaalsContact O-OG 3.04Å; S241-S243 PolarHBondContact O-N 3.44Å; S241-S243 PolarHBondContact OG-OG 3.43Å
244F91.3Very high87.2Confident25 Ų2563.5 Ų63.511%0.1134%0.34CS..SBendtrans-121143.2174.3-58.2-38.6000110.6L230 G238 I239 V292 Q293 V344L230-F244 HydrophobicContact CD1-CE2 3.83Å; L230-F244 HydrophobicContact CD1-CZ 3.71Å; G238-F244 PolarHBondContact O-N 2.95Å; G238-F244 VanDerWaalsContact O-N 3.08Å; I239-F244 WeakPolarHBondContact CA-O 3.36Å; I239-F244 HydrophobicContact CG1-CB 4.13Å; F244-V292 WeakPolarHBondContact CA-O 3.38Å; F244-Q293 HydrophobicContact CD1-CB 3.89Å; F244-Q293 HydrophobicContact CD1-CG 4.21Å; F244-Q293 HydrophobicContact CE1-CB 3.93Å; F244-Q293 HydrophobicContact CE1-CG 4.04Å; F244-V344 HydrophobicContact CD1-CG2 3.98Å; F244-V344 HydrophobicContact CD2-CG2 4.4Å; F244-V344 HydrophobicContact CE1-CG1 4.47Å; F244-V344 HydrophobicContact CE1-CG2 3.96Å; F244-V344 HydrophobicContact CE2-CG2 4.38Å; F244-V344 HydrophobicContact CG-CG2 4.23Å; F244-V344 HydrophobicContact CZ-CG2 4.16Å
245L90.3Very high86.6Confident53 Ų5357.2 Ų57.228%0.27731%0.313SS..EExtended strand (participates in β ladder)trans-105.6136.2175-59.6177.6000109.3V263 A291 V292 L294L245-V263 HydrophobicContact CB-CG1 3.96Å; L245-V263 HydrophobicContact CB-CG2 3.91Å; L245-V263 HydrophobicContact CD1-CG1 4.47Å; L245-V263 HydrophobicContact CD1-CG2 4.32Å; L245-V263 HydrophobicContact CD2-CG1 4.44Å; L245-A291 WeakPolarHBondContact O-CA 3.48Å; L245-V292 PolarHBondContact N-O 3Å; L245-V292 PolarHBondContact O-N 2.64Å; L245-L294 HydrophobicContact CD1-CD1 3.96Å; L245-L294 HydrophobicContact CD1-CD2 4.28Å; L245-L294 HydrophobicContact CD1-CG 4.04Å
246Q91.4Very high86.1Confident88 Ų8860.7 Ų60.741%0.41133%0.327SS..EExtended strand (participates in β ladder)trans-96.6134.1174.8169.8172.1-11.300109.8I239 V289 V290 I347I239-Q246 HydrophobicContact CD1-CB 4.11Å; Q246-V289 HydrophobicContact CG-CG1 3.89Å; Q246-V290 WeakPolarHBondContact CA-O 3.44Å; Q246-I347 HydrophobicContact CB-CD1 3.96Å; Q246-I347 VanDerWaalsContact CD-CD1 3.49Å; Q246-I347 HydrophobicContact CG-CD1 3.59Å
247G90.1Very high85.9Confident4 Ų456.4 Ų56.44%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-159.6174.7177.800000113.9F262 V289 V290G247-F262 CarbonylContact C-O 3.55Å; G247-F262 WeakPolarHBondContact CA-O 3.29Å; G247-V289 WeakPolarHBondContact O-CA 3.22Å; G247-V290 PolarHBondContact N-O 3.42Å; G247-V290 PolarHBondContact O-N 2.83Å
248T90.6Very high85.8Confident35 Ų3554.5 Ų54.522%0.21529%0.288CS..EExtended strand (participates in β ladder)trans-92.5125.5176.1-53.50000109.9V261 F262T248-V261 WeakPolarHBondContact O-CA 3.44Å; T248-F262 PolarHBondContact N-O 3.44Å; T248-F262 PolarHBondContact O-N 3.23Å
249F92.4Very high85.8Confident5 Ų554.3 Ų54.32%0.02229%0.286CS..EExtended strand (participates in β ladder)trans-79.7128.5179.9-179-92.7000111.9A251 A259 V261 L281 A284 V285 Q287 D288 V290 V343F249-A251 HydrophobicContact CE1-CB 4.05Å; F249-A259 HydrophobicContact CD2-CB 4.03Å; F249-A259 HydrophobicContact CE1-CB 4.08Å; F249-A259 HydrophobicContact CE2-CB 3.25Å; F249-A259 HydrophobicContact CZ-CB 3.29Å; F249-V261 HydrophobicContact CB-CG2 4.41Å; F249-V261 HydrophobicContact CD2-CG2 3.9Å; F249-L281 HydrophobicContact CE2-CD2 3.77Å; F249-L281 HydrophobicContact CZ-CD2 3.75Å; F249-A284 HydrophobicContact CD1-CB 3.98Å; F249-A284 HydrophobicContact CD2-CB 3.79Å; F249-A284 HydrophobicContact CE1-CB 3.98Å; F249-A284 HydrophobicContact CE2-CB 3.78Å; F249-A284 HydrophobicContact CG-CB 3.87Å; F249-A284 HydrophobicContact CZ-CB 3.87Å; F249-V285 VanDerWaalsContact CD1-O 3.31Å; F249-V285 WeakPolarHBondContact CD1-O 2.96Å; F249-Q287 WeakPolarHBondContact O-CA 2.89Å; F249-Q287 PolarHBondContact O-N 3.23Å; F249-D288 PolarHBondContact N-O 2.94Å; F249-V290 HydrophobicContact CB-CG1 3.89Å; F249-V290 HydrophobicContact CB-CG2 3.97Å; F249-V343 HydrophobicContact CD2-CG2 4.49Å
250R90.1Very high85.9Confident94 Ų9453.9 Ų53.936%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-129.1100176.8-63.4-166-173.7159.6-2.9110.5A259 T260 F262R250-A259 WeakPolarHBondContact O-CA 3.48Å; R250-T260 PolarHBondContact N-O 3.47Å; R250-T260 PolarHBondContact O-N 3.34Å; R250-T260 PolarHBondContact O-OG1 2.99Å; R250-F262 HydrophobicContact CB-CE2 4.37Å; R250-F262 HydrophobicContact CG-CD2 4.03Å; R250-F262 HydrophobicContact CG-CE2 4.16Å
251A88.4Confident86Confident21 Ų2145.1 Ų45.117%0.17425%0.248CC..EExtended strand (participates in β ladder)trans-58.2141.6167.900000111.9F249 H286 R377F249-A251 HydrophobicContact CE1-CB 4.05Å; A251-H286 PolarHBondContact N-ND1 3.39Å; A251-R377 HydrophobicContact CB-CB 4.13Å; A251-R377 HydrophobicContact CB-CG 4.45Å
252S82.8Confident85.9Confident36 Ų3643.1 Ų43.125%0.25223%0.228SC..  trans-71.8149.9172.5-179.50000110.8D254 N255 E258S252-D254 PolarHBondContact OG-N 3.38Å; S252-N255 WeakPolarHBondContact CB-O 3.43Å; S252-E258 WeakPolarHBondContact CB-O 3.35Å; S252-E258 PolarHBondContact N-O 3.23Å
253R76.1Confident85.8Confident141 Ų14141 Ų4153%0.53221%0.205SC..SBendtrans-84.4-24.3172.8-72.1-178.1173.8-172.7-4.2112.4R377R253-R377 HydrophobicContact CG-CG 3.73Å
254D69.8Low84.9Confident98 Ų9846.4 Ų46.452%0.52422%0.223SC..SBendtrans-98-16.9-170.6-58-39.5000112.4S252 V307 L308S252-D254 PolarHBondContact OG-N 3.38Å; D254-V307 HydrophobicContact CB-CG1 4.42Å; D254-L308 CarbonylContact O-C 3.59Å; D254-L308 PolarHBondContact O-N 3.3Å
255N77Confident83.2Confident2 Ų247.5 Ų47.51%0.01124%0.241CC..BIsolated β-bridgetrans-149.9115.2179-171.9-13.7000110.9S252 L257 E258S252-N255 WeakPolarHBondContact CB-O 3.43Å; N255-L257 PolarHBondContact O-N 2.7Å; N255-L257 WeakPolarHBondContact OD1-CB 3.49Å; N255-L257 PolarHBondContact OD1-N 2.81Å; N255-E258 HydrophobicContact CB-CB 4.22Å; N255-E258 HydrophobicContact CB-CG 4.09Å; N255-E258 WeakPolarHBondContact ND2-CG 3.37Å; N255-E258 PolarHBondContact O-N 3.01Å
256Y79.1Confident80.6Confident75 Ų7555.2 Ų55.229%0.29428%0.276SS..THydrogen-bonded Turntrans-71.3-16.2-178.173.6-88.7000113.7E258 L278 D310 E324Y256-E258 VanDerWaalsContact C-N 3.32Å; Y256-L278 HydrophobicContact CE2-CD2 4.48Å; Y256-D310 HydrophobicContact CD1-CB 4.43Å; Y256-E324 PolarHBondContact OH-OE2 3.05Å
257L83.4Confident78.3Confident8 Ų854.2 Ų54.24%0.04229%0.29CS..THydrogen-bonded Turntrans-86.9-3175.9-63.3175.4000112.8N255 Q276 G277 L278 L328N255-L257 PolarHBondContact O-N 2.7Å; N255-L257 WeakPolarHBondContact OD1-CB 3.49Å; N255-L257 PolarHBondContact OD1-N 2.81Å; L257-Q276 CarbonylContact O-C 3.13Å; L257-Q276 VanDerWaalsContact O-CA 3.3Å; L257-Q276 WeakPolarHBondContact O-CA 3.42Å; L257-G277 PolarHBondContact O-N 3.11Å; L257-L278 HydrophobicContact CD2-CD1 4.28Å; L257-L278 HydrophobicContact CD2-CD2 3.68Å; L257-L278 HydrophobicContact CD2-CG 3.52Å; L257-L328 HydrophobicContact CD1-CD1 3.92Å
258E85.8Confident75.9Confident18 Ų1863.4 Ų63.48%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-118.4138.2-178.7-62.7-169.9146.300112.6S252 N255 Y256 I275 Q276 S304S252-E258 WeakPolarHBondContact CB-O 3.35Å; S252-E258 PolarHBondContact N-O 3.23Å; N255-E258 HydrophobicContact CB-CB 4.22Å; N255-E258 HydrophobicContact CB-CG 4.09Å; N255-E258 WeakPolarHBondContact ND2-CG 3.37Å; N255-E258 PolarHBondContact O-N 3.01Å; Y256-E258 VanDerWaalsContact C-N 3.32Å; E258-I275 WeakPolarHBondContact CA-O 3.29Å; E258-Q276 HydrophobicContact CG-CG 4.06Å; E258-Q276 PolarHBondContact OE1-NE2 2.92Å; E258-S304 WeakPolarHBondContact OE1-CB 3.44Å; E258-S304 PolarHBondContact OE1-N 3.44Å
259A88.7Confident73.8Confident2 Ų268.4 Ų68.42%0.01736%0.357CS..EExtended strand (participates in β ladder)trans-143.1158.8169.800000111.2F249 R250 I275 L281F249-A259 HydrophobicContact CD2-CB 4.03Å; F249-A259 HydrophobicContact CE1-CB 4.08Å; F249-A259 HydrophobicContact CE2-CB 3.25Å; F249-A259 HydrophobicContact CZ-CB 3.29Å; R250-A259 WeakPolarHBondContact O-CA 3.48Å; A259-I275 PolarHBondContact N-O 3.32Å; A259-I275 PolarHBondContact O-N 2.78Å; A259-L281 HydrophobicContact CB-CD2 3.44Å; A259-L281 VanDerWaalsContact CB-CD2 3.44Å
260T90Very high72.2Confident40 Ų4072 Ų7225%0.24538%0.383CS..EExtended strand (participates in β ladder)trans-116.6137.2173.649.30000109.3R250 V273 L274R250-T260 PolarHBondContact N-O 3.47Å; R250-T260 PolarHBondContact O-N 3.34Å; R250-T260 PolarHBondContact O-OG1 2.99Å; T260-V273 CarbonylContact C-O 3.55Å; T260-V273 WeakPolarHBondContact CA-O 3.38Å; T260-L274 HydrophobicContact CG2-CD1 4.23Å
261V89.6Confident71.3Confident0 Ų071 Ų710%039%0.387CS..EExtended strand (participates in β ladder)trans-110121.21721770000108.8T248 F249 V263 V273 I275 V290 V292T248-V261 WeakPolarHBondContact O-CA 3.44Å; F249-V261 HydrophobicContact CB-CG2 4.41Å; F249-V261 HydrophobicContact CD2-CG2 3.9Å; V261-V263 HydrophobicContact CG1-CG2 4.31Å; V261-V273 PolarHBondContact N-O 3.03Å; V261-V273 PolarHBondContact O-N 3.28Å; V261-I275 HydrophobicContact CB-CD1 4.42Å; V261-I275 HydrophobicContact CG2-CD1 3.42Å; V261-I275 VanDerWaalsContact CG2-CD1 3.42Å; V261-I275 HydrophobicContact CG2-CG1 4.17Å; V261-V290 HydrophobicContact CG1-CG2 3.99Å; V261-V290 HydrophobicContact CG2-CG2 3.78Å; V261-V292 HydrophobicContact CB-CG2 4.04Å; V261-V292 HydrophobicContact CG1-CG2 3.79Å; V261-V292 HydrophobicContact CG2-CG2 3.83Å
262F86Confident71.1Confident43 Ų4374 Ų7419%0.18940%0.397CS..EExtended strand (participates in β ladder)trans-89107176-73.1-95.7000108.8G247 T248 R250 E272G247-F262 CarbonylContact C-O 3.55Å; G247-F262 WeakPolarHBondContact CA-O 3.29Å; T248-F262 PolarHBondContact N-O 3.44Å; T248-F262 PolarHBondContact O-N 3.23Å; R250-F262 HydrophobicContact CB-CE2 4.37Å; R250-F262 HydrophobicContact CG-CD2 4.03Å; R250-F262 HydrophobicContact CG-CE2 4.16Å; F262-E272 HydrophobicContact CD1-CG 4.01Å; F262-E272 HydrophobicContact CE1-CG 3.65Å; F262-E272 WeakPolarHBondContact CE1-OE1 3.45Å; F262-E272 HydrophobicContact CZ-CG 4.12Å; F262-E272 WeakPolarHBondContact CZ-OE1 3.29Å
263V82.7Confident71.3Confident12 Ų1272.2 Ų72.27%0.07339%0.385CS..EExtended strand (participates in β ladder)trans-87.8122.1177.8-179.40000108.4L245 V261 G265 T271 V273L245-V263 HydrophobicContact CB-CG1 3.96Å; L245-V263 HydrophobicContact CB-CG2 3.91Å; L245-V263 HydrophobicContact CD1-CG1 4.47Å; L245-V263 HydrophobicContact CD1-CG2 4.32Å; L245-V263 HydrophobicContact CD2-CG1 4.44Å; V261-V263 HydrophobicContact CG1-CG2 4.31Å; V263-G265 PolarHBondContact O-N 2.99Å; V263-T271 PolarHBondContact N-O 3.34Å; V263-T271 PolarHBondContact O-N 2.86Å; V263-V273 HydrophobicContact CG2-CG2 4.04Å
264Q66.9Low71.9Confident175 Ų17566 Ų6682%0.81836%0.363SS*.  trans-80.6109.1174-69.4-178.9-20.700108.4
265G55.2Low72.8Confident48 Ų4861.4 Ų61.450%0.49534%0.338SS..  trans-88.7165.7171.800000112.3V263 G267V263-G265 PolarHBondContact O-N 2.99Å; G265-G267 PolarHBondContact O-N 3.4Å
266E36.4Very low73.3Confident214 Ų21463 Ų63100%135%0.345SS*.SBendtrans-76.1104.7162.9-70.8-175.5165.800108.3
267G43.7Very low73.5Confident68 Ų6859.9 Ų59.970%0.70134%0.335SS*.SBendtrans129.1-169.1-179.900000114.3G265 D269G265-G267 PolarHBondContact O-N 3.4Å; G267-D269 VanDerWaalsContact C-N 3.34Å
268E38.9Very low73.5Confident197 Ų19762 Ų6292%0.92135%0.346SS*.SBendtrans-80-6.8179-75-175.7154.300114.3S270E268-S270 PolarHBondContact O-N 3.25Å
269D46Very low73.5Confident139 Ų13967.1 Ų67.174%0.74337%0.37SS*.  trans-93.783.9-177.6-73.4-26.9000112.3G267 T271G267-D269 VanDerWaalsContact C-N 3.34Å; D269-T271 PolarHBondContact O-N 3.34Å
270S59.8Low73.5Confident81 Ų8169.3 Ų69.357%0.56638%0.382SS*.  trans-67.4115.6163.962.20000109.6E268E268-S270 PolarHBondContact O-N 3.25Å
271T71.2Confident73.5Confident72 Ų7268.3 Ų68.344%0.44238%0.375SS..EExtended strand (participates in β ladder)trans-88.2123.5178-53.40000110V263 D269V263-T271 PolarHBondContact N-O 3.34Å; V263-T271 PolarHBondContact O-N 2.86Å; D269-T271 PolarHBondContact O-N 3.34Å
272E83.3Confident73.6Confident84 Ų8468.4 Ų68.439%0.39338%0.375SS..EExtended strand (participates in β ladder)trans-89123.3172-66-175.617500110.4F262 R338F262-E272 HydrophobicContact CD1-CG 4.01Å; F262-E272 HydrophobicContact CE1-CG 3.65Å; F262-E272 WeakPolarHBondContact CE1-OE1 3.45Å; F262-E272 HydrophobicContact CZ-CG 4.12Å; F262-E272 WeakPolarHBondContact CZ-OE1 3.29Å; E272-R338 IonicContact OE2-NH1 2.71Å
273V87.2Confident73.8Confident0 Ų067 Ų670%037%0.369CS..EExtended strand (participates in β ladder)trans-109.8124.5175-176.50000109.4T260 V261 V263 V292 L294T260-V273 CarbonylContact C-O 3.55Å; T260-V273 WeakPolarHBondContact CA-O 3.38Å; V261-V273 PolarHBondContact N-O 3.03Å; V261-V273 PolarHBondContact O-N 3.28Å; V263-V273 HydrophobicContact CG2-CG2 4.04Å; V273-V292 HydrophobicContact CG1-CG1 4.1Å; V273-L294 HydrophobicContact CG1-CD2 3.82Å; V273-L294 HydrophobicContact CG2-CD2 3.92Å
274L89.4Confident74.3Confident11 Ų1167 Ų676%0.05837%0.37CS..EExtended strand (participates in β ladder)trans-83.2137.9176.9-176.264.2000110.4T260 Q276 V301 P303 A339 T340 G341T260-L274 HydrophobicContact CG2-CD1 4.23Å; L274-Q276 HydrophobicContact CD1-CG 4.47Å; L274-Q276 HydrophobicContact CD2-CG 4.24Å; L274-Q276 HydrophobicContact CG-CG 4.06Å; L274-V301 HydrophobicContact CD2-CG2 3.68Å; L274-P303 HydrophobicContact CD2-CG 4.39Å; L274-A339 PolarHBondContact N-O 2.87Å; L274-T340 HydrophobicContact CB-CG2 4.4Å; L274-T340 CarbonylContact O-C 3.5Å; L274-T340 WeakPolarHBondContact O-CA 3.29Å; L274-G341 PolarHBondContact O-N 2.86Å
275I89.3Confident75.4Confident0 Ų058.8 Ų58.80%033%0.332CS..EExtended strand (participates in β ladder)trans-126.3123.5176.6-52.7-166.7000107.4E258 A259 V261 N280 L281 V292 V343E258-I275 WeakPolarHBondContact CA-O 3.29Å; A259-I275 PolarHBondContact N-O 3.32Å; A259-I275 PolarHBondContact O-N 2.78Å; V261-I275 HydrophobicContact CB-CD1 4.42Å; V261-I275 HydrophobicContact CG2-CD1 3.42Å; V261-I275 VanDerWaalsContact CG2-CD1 3.42Å; V261-I275 HydrophobicContact CG2-CG1 4.17Å; I275-N280 HydrophobicContact CG2-CB 3.84Å; I275-N280 WeakPolarHBondContact CG2-O 3.5Å; I275-L281 HydrophobicContact CB-CD2 4.15Å; I275-L281 HydrophobicContact CG2-CD2 3.73Å; I275-L281 HydrophobicContact CG2-CG 4.24Å; I275-V292 HydrophobicContact CD1-CG1 4.22Å; I275-V292 HydrophobicContact CD1-CG2 4.03Å; I275-V343 HydrophobicContact CD1-CG2 3.52Å
276Q85.9Confident77.1Confident37 Ų3757.8 Ų57.817%0.17331%0.314CS..EExtended strand (participates in β ladder)trans-127.2140.9179.5-61.9-169.5-27.800111.1L257 E258 L274 N280 V301 A302L257-Q276 CarbonylContact O-C 3.13Å; L257-Q276 VanDerWaalsContact O-CA 3.3Å; L257-Q276 WeakPolarHBondContact O-CA 3.42Å; E258-Q276 HydrophobicContact CG-CG 4.06Å; E258-Q276 PolarHBondContact OE1-NE2 2.92Å; L274-Q276 HydrophobicContact CD1-CG 4.47Å; L274-Q276 HydrophobicContact CD2-CG 4.24Å; L274-Q276 HydrophobicContact CG-CG 4.06Å; Q276-N280 WeakPolarHBondContact O-CB 3.43Å; Q276-N280 PolarHBondContact O-ND2 3.01Å; Q276-V301 HydrophobicContact CG-CG2 3.99Å; Q276-A302 PolarHBondContact NE2-O 3.39Å
277G83.8Confident79.6Confident8 Ų850.9 Ų50.98%0.08228%0.282CS..SBendtrans91143.5176.500000113.5L257 Q279 N280 L281L257-G277 PolarHBondContact O-N 3.11Å; G277-Q279 VanDerWaalsContact C-N 3.31Å; G277-Q279 PolarHBondContact O-N 3.44Å; G277-N280 PolarHBondContact O-N 3.43Å; G277-N280 VanDerWaalsContact O-N 3.09Å; G277-L281 WeakPolarHBondContact O-CG 3.49Å; G277-L281 PolarHBondContact O-N 2.86Å
278L82.8Confident81.9Confident53 Ų5347.7 Ų47.728%0.27725%0.249SC..Hα-helixtrans-56.9-42-173.1-69.1174.6000112.8F226 Y256 L257 N280 L281 N282F226-L278 HydrophobicContact CE1-CB 4.3Å; F226-L278 WeakPolarHBondContact CE1-O 3.47Å; Y256-L278 HydrophobicContact CE2-CD2 4.48Å; L257-L278 HydrophobicContact CD2-CD1 4.28Å; L257-L278 HydrophobicContact CD2-CD2 3.68Å; L257-L278 HydrophobicContact CD2-CG 3.52Å; L278-N280 VanDerWaalsContact C-N 3.32Å; L278-N280 PolarHBondContact O-N 3.23Å; L278-L281 PolarHBondContact O-N 3.38Å; L278-N282 PolarHBondContact O-N 2.88Å; L278-N282 VanDerWaalsContact O-N 3.15Å
279Q86.7Confident84.4Confident125 Ų12539.7 Ų39.758%0.58421%0.213SC*.Hα-helixtrans-64.7-35.9-179.7-62.9-177.19.900112.4G277 N282G277-Q279 VanDerWaalsContact C-N 3.31Å; G277-Q279 PolarHBondContact O-N 3.44Å; Q279-N282 WeakPolarHBondContact O-CB 3.38Å
280N89.8Confident86.7Confident49 Ų4933.1 Ų33.126%0.26218%0.178SC..Hα-helixtrans-80.2-31.2-179.9-66.4-38.9000112.5I275 Q276 G277 L278 N282 K342 V343I275-N280 HydrophobicContact CG2-CB 3.84Å; I275-N280 WeakPolarHBondContact CG2-O 3.5Å; Q276-N280 WeakPolarHBondContact O-CB 3.43Å; Q276-N280 PolarHBondContact O-ND2 3.01Å; G277-N280 PolarHBondContact O-N 3.43Å; G277-N280 VanDerWaalsContact O-N 3.09Å; L278-N280 VanDerWaalsContact C-N 3.32Å; L278-N280 PolarHBondContact O-N 3.23Å; N280-N282 PolarHBondContact O-N 2.87Å; N280-K342 HydrophobicContact CB-CB 4.02Å; N280-K342 WeakPolarHBondContact OD1-CB 3.38Å; N280-V343 WeakPolarHBondContact O-CB 3.48Å; N280-V343 PolarHBondContact O-N 2.89Å
281L89.2Confident88.3Confident18 Ų1829.2 Ų29.29%0.09415%0.151CC..Hα-helixtrans-64.7-31.6171.5-64.4170.2000111.4F249 A259 I275 G277 L278 R283 A284F249-L281 HydrophobicContact CE2-CD2 3.77Å; F249-L281 HydrophobicContact CZ-CD2 3.75Å; A259-L281 HydrophobicContact CB-CD2 3.44Å; A259-L281 VanDerWaalsContact CB-CD2 3.44Å; I275-L281 HydrophobicContact CB-CD2 4.15Å; I275-L281 HydrophobicContact CG2-CD2 3.73Å; I275-L281 HydrophobicContact CG2-CG 4.24Å; G277-L281 WeakPolarHBondContact O-CG 3.49Å; G277-L281 PolarHBondContact O-N 2.86Å; L278-L281 PolarHBondContact O-N 3.38Å; L281-R283 PolarHBondContact O-N 2.84Å; L281-A284 WeakPolarHBondContact O-CB 3.36Å; L281-A284 PolarHBondContact O-N 3.33Å
282N91.2Very high89.3Confident2 Ų225.8 Ų25.81%0.01113%0.13CC..THydrogen-bonded Turntrans44.459.9169.8-163.82.6000114.6P227 H229 L278 Q279 N280 A284 V343P227-N282 PolarHBondContact O-OD1 3.4Å; P227-N282 VanDerWaalsContact O-OD1 3.14Å; H229-N282 PolarHBondContact CD2-ND2 3.12Å; H229-N282 PolarHBondContact NE2-O 3.24Å; H229-N282 PolarHBondContact NE2-OD1 3.47Å; L278-N282 PolarHBondContact O-N 2.88Å; L278-N282 VanDerWaalsContact O-N 3.15Å; Q279-N282 WeakPolarHBondContact O-CB 3.38Å; N280-N282 PolarHBondContact O-N 2.87Å; N282-A284 PolarHBondContact O-N 3.4Å; N282-V343 HydrophobicContact CB-CB 4Å; N282-V343 HydrophobicContact CB-CG1 4.36Å; N282-V343 WeakPolarHBondContact CB-O 3.35Å; N282-V343 PolarHBondContact ND2-O 3.43Å
283R91Very high89.8Confident14 Ų1425.2 Ų25.25%0.05313%0.127CC..THydrogen-bonded Turntrans57.330.8173.6-49.4-177.6-61.5-82.8-10.1114.2F226 P227 H229 L281 R349 W403F226-R283 HydrophobicContact CB-CG 4.12Å; F226-R283 HydrophobicContact CD1-CG 3.95Å; F226-R283 HydrophobicContact CD2-CG 3.83Å; F226-R283 HydrophobicContact CE1-CG 4.27Å; F226-R283 HydrophobicContact CE2-CG 4.16Å; F226-R283 HydrophobicContact CG-CG 3.72Å; F226-R283 HydrophobicContact CZ-CG 4.36Å; P227-R283 PolarHBondContact O-NH1 3.31Å; P227-R283 PolarHBondContact O-NH2 3.48Å; H229-R283 PolarHBondContact CD2-NH2 2.92Å; H229-R283 PolarHBondContact CE1-NH2 3.36Å; H229-R283 VanDerWaalsContact CG-NH2 3.27Å; H229-R283 PolarHBondContact ND1-NH2 2.96Å; H229-R283 PolarHBondContact NE2-NH2 3.14Å; H229-R283 VanDerWaalsContact NE2-NH2 3.15Å; L281-R283 PolarHBondContact O-N 2.84Å; R283-R349 PolarHBondContact O-NH1 3.29Å; R283-R349 PolarHBondContact O-NH2 3.3Å; R283-W403 HydrophobicContact CB-CB 4.29Å; R283-W403 HydrophobicContact CB-CD2 3.78Å; R283-W403 HydrophobicContact CB-CE3 3.93Å; R283-W403 HydrophobicContact CB-CG 3.94Å; R283-W403 HydrophobicContact CB-CZ3 4.5Å; R283-W403 WeakPolarHBondContact CD-O 3.45Å; R283-W403 HydrophobicContact CG-CD2 3.94Å; R283-W403 HydrophobicContact CG-CG 3.91Å; R283-W403 PolarHBondContact NE-O 3.46Å
284A91.9Very high89.9Confident11 Ų1128.8 Ų28.89%0.09115%0.146CC..  trans-83.7143.6170.400000111.2F249 L281 N282 V290 I346F249-A284 HydrophobicContact CD1-CB 3.98Å; F249-A284 HydrophobicContact CD2-CB 3.79Å; F249-A284 HydrophobicContact CE1-CB 3.98Å; F249-A284 HydrophobicContact CE2-CB 3.78Å; F249-A284 HydrophobicContact CG-CB 3.87Å; F249-A284 HydrophobicContact CZ-CB 3.87Å; L281-A284 WeakPolarHBondContact O-CB 3.36Å; L281-A284 PolarHBondContact O-N 3.33Å; N282-A284 PolarHBondContact O-N 3.4Å; A284-V290 HydrophobicContact CB-CG1 3.99Å; A284-I346 HydrophobicContact CB-CD1 4.08Å
285V91.7Very high90Very high3 Ų329.7 Ų29.72%0.01815%0.151CC..  trans-112.6152.7177-178.10000109.5F249 Q287 D288 F354 I378 W403F249-V285 VanDerWaalsContact CD1-O 3.31Å; F249-V285 WeakPolarHBondContact CD1-O 2.96Å; V285-Q287 PolarHBondContact O-N 3.35Å; V285-D288 PolarHBondContact N-OD2 2.85Å; V285-D288 VanDerWaalsContact O-CB 3.26Å; V285-D288 WeakPolarHBondContact O-CB 3.47Å; V285-D288 VanDerWaalsContact O-CG 3.32Å; V285-D288 PolarHBondContact O-N 3.48Å; V285-F354 HydrophobicContact CG1-CZ 4.47Å; V285-I378 HydrophobicContact CG1-CD1 3.74Å; V285-W403 HydrophobicContact CG2-CE3 4.42Å; V285-W403 HydrophobicContact CG2-CZ3 4.31Å
286H90.9Very high89.9Confident27 Ų2733.4 Ų33.413%0.12518%0.175CC..THydrogen-bonded Turntrans-50130.4-180-170.572.3000111.9A251 R377 I378A251-H286 PolarHBondContact N-ND1 3.39Å; H286-R377 HydrophobicContact CB-CB 4.34Å; H286-R377 PolarHBondContact CE1-NH1 2.86Å; H286-R377 PolarHBondContact NE2-NH1 2.84Å; H286-I378 HydrophobicContact CB-CD1 3.94Å
287Q88.9Confident89.7Confident70 Ų7039.2 Ų39.233%0.32720%0.199SC..THydrogen-bonded Turntrans72.48.7-174.6-54.4-66.9-31.400116.8F249 V285 N350F249-Q287 WeakPolarHBondContact O-CA 2.89Å; F249-Q287 PolarHBondContact O-N 3.23Å; V285-Q287 PolarHBondContact O-N 3.35Å; Q287-N350 WeakPolarHBondContact O-CB 3.47Å
288D91.7Very high89.5Confident0 Ų044.6 Ų44.60%023%0.226CC..  trans-66.3149.1169.6-77.7-17.1000111.6F249 V285 V290 R349 N350F249-D288 PolarHBondContact N-O 2.94Å; V285-D288 PolarHBondContact N-OD2 2.85Å; V285-D288 VanDerWaalsContact O-CB 3.26Å; V285-D288 WeakPolarHBondContact O-CB 3.47Å; V285-D288 VanDerWaalsContact O-CG 3.32Å; V285-D288 PolarHBondContact O-N 3.48Å; D288-V290 HydrophobicContact CB-CG1 4.01Å; D288-R349 WeakPolarHBondContact OD1-CA 3.45Å; D288-R349 WeakPolarHBondContact OD2-CD 3.26Å; D288-R349 IonicContact OD2-CZ 2.87Å; D288-R349 IonicContact OD2-NE 3.76Å; D288-R349 IonicContact OD2-NH1 3.83Å; D288-R349 PolarHBondContact OD2-NH1 3.12Å; D288-N350 PolarHBondContact OD1-N 3.31Å
289V91.1Very high89.4Confident30 Ų3046.9 Ų46.918%0.18224%0.235CC..EExtended strand (participates in β ladder)trans-91.8113.8168.9-174.30000108.2Q246 G247 I347 K348Q246-V289 HydrophobicContact CG-CG1 3.89Å; G247-V289 WeakPolarHBondContact O-CA 3.22Å; V289-I347 HydrophobicContact CB-CB 4.48Å; V289-I347 HydrophobicContact CG1-CB 4.15Å; V289-I347 HydrophobicContact CG1-CD1 4.36Å; V289-I347 HydrophobicContact CG1-CG2 4.45Å; V289-I347 PolarHBondContact O-N 3.24Å; V289-K348 HydrophobicContact CB-CB 4Å; V289-K348 HydrophobicContact CG2-CB 4.14Å; V289-K348 PolarHBondContact N-O 3.39Å; V289-K348 PolarHBondContact O-N 3.43Å
290V93.5Very high89.3Confident0 Ų044.1 Ų44.10%022%0.22CC..EExtended strand (participates in β ladder)trans-118.2154-170.5-59.10000111.6Q246 G247 F249 V261 A284 D288 V292 V343 I346Q246-V290 WeakPolarHBondContact CA-O 3.44Å; G247-V290 PolarHBondContact N-O 3.42Å; G247-V290 PolarHBondContact O-N 2.83Å; F249-V290 HydrophobicContact CB-CG1 3.89Å; F249-V290 HydrophobicContact CB-CG2 3.97Å; V261-V290 HydrophobicContact CG1-CG2 3.99Å; V261-V290 HydrophobicContact CG2-CG2 3.78Å; A284-V290 HydrophobicContact CB-CG1 3.99Å; D288-V290 HydrophobicContact CB-CG1 4.01Å; V290-V292 HydrophobicContact CG2-CG2 3.87Å; V290-V343 HydrophobicContact CB-CG1 4.11Å; V290-V343 HydrophobicContact CB-CG2 4.48Å; V290-V343 HydrophobicContact CG1-CG1 4.32Å; V290-V343 HydrophobicContact CG2-CG2 4.4Å; V290-I346 HydrophobicContact CB-CD1 4.49Å; V290-I346 HydrophobicContact CG1-CD1 3.66Å
291A93.3Very high88.7Confident0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-101124.4167.700000109.5V235 L245 V344 G345 I347V235-A291 HydrophobicContact CG1-CB 3.4Å; V235-A291 VanDerWaalsContact CG1-CB 3.4Å; L245-A291 WeakPolarHBondContact O-CA 3.48Å; A291-V344 HydrophobicContact CB-CG2 4.15Å; A291-V344 WeakPolarHBondContact O-CG2 3.47Å; A291-V344 PolarHBondContact O-N 2.92Å; A291-G345 PolarHBondContact N-O 3.12Å; A291-I347 HydrophobicContact CB-CD1 4.22Å; A291-I347 HydrophobicContact CB-CG1 4.37Å
292V93.3Very high87.8Confident0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-114.1136.5-176.2-175.60000110F244 L245 V261 V273 I275 V290 K342 V343F244-V292 WeakPolarHBondContact CA-O 3.38Å; L245-V292 PolarHBondContact N-O 3Å; L245-V292 PolarHBondContact O-N 2.64Å; V261-V292 HydrophobicContact CB-CG2 4.04Å; V261-V292 HydrophobicContact CG1-CG2 3.79Å; V261-V292 HydrophobicContact CG2-CG2 3.83Å; V273-V292 HydrophobicContact CG1-CG1 4.1Å; I275-V292 HydrophobicContact CD1-CG1 4.22Å; I275-V292 HydrophobicContact CD1-CG2 4.03Å; V290-V292 HydrophobicContact CG2-CG2 3.87Å; V292-K342 WeakPolarHBondContact CA-O 3.36Å; V292-V343 HydrophobicContact CG2-CG2 4.49Å
293Q92.6Very high86.6Confident72 Ų7246.6 Ų46.634%0.33624%0.241SC..EExtended strand (participates in β ladder)trans-101.8126.5167.3-174.2179.217.400108.7F244 G341 K342 V344F244-Q293 HydrophobicContact CD1-CB 3.89Å; F244-Q293 HydrophobicContact CD1-CG 4.21Å; F244-Q293 HydrophobicContact CE1-CB 3.93Å; F244-Q293 HydrophobicContact CE1-CG 4.04Å; Q293-G341 CarbonylContact O-C 3.56Å; Q293-G341 WeakPolarHBondContact O-CA 3.39Å; Q293-K342 HydrophobicContact CB-CG 4.24Å; Q293-K342 PolarHBondContact N-O 3.1Å; Q293-K342 PolarHBondContact O-N 2.89Å; Q293-V344 HydrophobicContact CB-CG1 3.77Å
294L90.9Very high85.4Confident75 Ų7547.4 Ų47.439%0.39325%0.248SC..EExtended strand (participates in β ladder)trans-67.3136.9174.7-68.1177.6000110.5L245 V273L245-L294 HydrophobicContact CD1-CD1 3.96Å; L245-L294 HydrophobicContact CD1-CD2 4.28Å; L245-L294 HydrophobicContact CD1-CG 4.04Å; V273-L294 HydrophobicContact CG1-CD2 3.82Å; V273-L294 HydrophobicContact CG2-CD2 3.92Å
295L89.6Confident83.8Confident30 Ų3049.2 Ų49.216%0.15726%0.26CS..PPolyproline II helixtrans-78.9155.5170.7-64.2178.1000109.9Q299 W300 T340 K342L295-Q299 HydrophobicContact CB-CB 4.16Å; L295-Q299 HydrophobicContact CD1-CB 4.42Å; L295-W300 PolarHBondContact O-NE1 3.2Å; L295-W300 VanDerWaalsContact O-NE1 3.1Å; L295-T340 PolarHBondContact N-O 3.32Å; L295-K342 HydrophobicContact CD2-CD 4.14Å; L295-K342 HydrophobicContact CD2-CG 4.25Å
296P87.4Confident82.1Confident77 Ų7751.6 Ų51.650%0.528%0.275SS..PPolyproline II helixtrans-61.1149.7176.2-13.126.9000110.6N298 Q299P296-N298 WeakPolarHBondContact CB-OD1 3.36Å; P296-N298 PolarHBondContact O-N 2.88Å; P296-N298 PolarHBondContact O-OD1 3.27Å; P296-Q299 PolarHBondContact O-N 3.34Å
297K82.6Confident80.5Confident160 Ų16052.7 Ų52.770%0.69628%0.283SS*.G310 helixtrans-56.9-22.7-170.8-68-173.1177.2-176.10114.9Q299 W300K297-Q299 PolarHBondContact O-N 3.46Å; K297-W300 HydrophobicContact CB-CD2 4.44Å; K297-W300 HydrophobicContact CG-CD2 4.36Å; K297-W300 HydrophobicContact CG-CH2 4.15Å; K297-W300 HydrophobicContact CG-CZ2 3.87Å; K297-W300 HydrophobicContact CG-CZ3 4.49Å; K297-W300 WeakPolarHBondContact O-CB 3.22Å; K297-W300 PolarHBondContact O-N 2.66Å
298N80.4Confident79.2Confident121 Ų12151.6 Ų51.665%0.64728%0.279SS*.G310 helixtrans-71.9-16.2175.964.3-17.6000113.7P296P296-N298 WeakPolarHBondContact CB-OD1 3.36Å; P296-N298 PolarHBondContact O-N 2.88Å; P296-N298 PolarHBondContact O-OD1 3.27Å
299Q80.3Confident77.3Confident100 Ų10055 Ų5547%0.46730%0.295SS..G310 helixtrans-104.313.9177.6-65.91760.200112.1L295 P296 K297 T340L295-Q299 HydrophobicContact CB-CB 4.16Å; L295-Q299 HydrophobicContact CD1-CB 4.42Å; P296-Q299 PolarHBondContact O-N 3.34Å; K297-Q299 PolarHBondContact O-N 3.46Å; Q299-T340 PolarHBondContact O-OG1 3.4Å
300W83.4Confident75.5Confident67 Ų6758 Ų5825%0.25431%0.311SS..  trans-75.5130.4174.4-72.912.6000110.1L295 K297 R337 R338 A339 T340L295-W300 PolarHBondContact O-NE1 3.2Å; L295-W300 VanDerWaalsContact O-NE1 3.1Å; K297-W300 HydrophobicContact CB-CD2 4.44Å; K297-W300 HydrophobicContact CG-CD2 4.36Å; K297-W300 HydrophobicContact CG-CH2 4.15Å; K297-W300 HydrophobicContact CG-CZ2 3.87Å; K297-W300 HydrophobicContact CG-CZ3 4.49Å; K297-W300 WeakPolarHBondContact O-CB 3.22Å; K297-W300 PolarHBondContact O-N 2.66Å; W300-R337 HydrophobicContact CB-CB 4.12Å; W300-R337 VanDerWaalsContact O-CD 3.22Å; W300-R337 WeakPolarHBondContact O-CD 3.48Å; W300-R337 WeakPolarHBondContact O-CG 3.44Å; W300-R337 PolarHBondContact O-NE 3.26Å; W300-R338 VanDerWaalsContact CB-O 3.31Å; W300-R338 WeakPolarHBondContact CB-O 3.4Å; W300-A339 HydrophobicContact CH2-CB 4.14Å; W300-A339 HydrophobicContact CZ2-CB 4.02Å; W300-A339 HydrophobicContact CZ3-CB 4.48Å; W300-T340 WeakPolarHBondContact CA-OG1 3.31Å
301V77.3Confident73.5Confident48 Ų4862.6 Ų62.629%0.29134%0.335SS..  trans-116.1160-174.9-55.60000110.3L274 Q276 R338 T340L274-V301 HydrophobicContact CD2-CG2 3.68Å; Q276-V301 HydrophobicContact CG-CG2 3.99Å; V301-R338 PolarHBondContact O-N 3.39Å; V301-T340 HydrophobicContact CB-CG2 4.14Å; V301-T340 HydrophobicContact CG1-CG2 4.42Å; V301-T340 HydrophobicContact CG2-CG2 3.34Å; V301-T340 VanDerWaalsContact N-CG2 3.31Å
302A71Confident71.2Confident20 Ų2064.2 Ų64.217%0.16535%0.351CS..PPolyproline II helixtrans-89.5152.5169.900000109.9Q276 S304 L332 A336Q276-A302 PolarHBondContact NE2-O 3.39Å; A302-S304 PolarHBondContact O-N 3.33Å; A302-L332 HydrophobicContact CB-CD1 4.03Å; A302-A336 HydrophobicContact CB-CB 4.2Å; A302-A336 WeakPolarHBondContact CB-O 3.36Å
303P66.7Low68.8Low54 Ų5467.3 Ų67.335%0.35138%0.377SS..PPolyproline II helixtrans-55.9137170.5-22.433000111.3L274 S305L274-P303 HydrophobicContact CD2-CG 4.39Å; P303-S305 PolarHBondContact O-N 3.26Å
304S64.7Low66.2Low30 Ų3068 Ų6821%0.2140%0.396CS..PPolyproline II helixtrans-64.6133.8177-178.10000111E258 A302 V306E258-S304 WeakPolarHBondContact OE1-CB 3.44Å; E258-S304 PolarHBondContact OE1-N 3.44Å; A302-S304 PolarHBondContact O-N 3.33Å; S304-V306 VanDerWaalsContact C-N 3.27Å; S304-V306 PolarHBondContact OG-N 3.2Å; S304-V306 VanDerWaalsContact OG-N 3.1Å
305S57.6Low63.7Low50 Ų5069.9 Ų69.935%0.3540%0.4SS..  trans-85.80.5170.251.40000113.2P303 K855P303-S305 PolarHBondContact O-N 3.26Å; S305-K855 VanDerWaalsContact OG-CD 3.24Å; S305-K855 WeakPolarHBondContact OG-CD 3.4Å; S305-K855 VanDerWaalsContact OG-CE 3.3Å; S305-K855 WeakPolarHBondContact OG-CE 3.42Å; S305-K855 PolarHBondContact OG-NZ 2.95Å
306V56.9Low61.2Low52 Ų5274.1 Ų74.132%0.31542%0.423SS..SBendtrans-99.4128.7-177-175.80000109.4S304 L308S304-V306 VanDerWaalsContact C-N 3.27Å; S304-V306 PolarHBondContact OG-N 3.2Å; S304-V306 VanDerWaalsContact OG-N 3.1Å; V306-L308 HydrophobicContact CG1-CD2 3.96Å; V306-L308 HydrophobicContact CG1-CG 4.18Å
307V57.7Low58.9Low51 Ų5176.5 Ų76.531%0.30943%0.432SS..  trans-83.7113.7172-179.90000107.9D254 Q309D254-V307 HydrophobicContact CB-CG1 4.42Å; V307-Q309 HydrophobicContact CG1-CG 4.22Å
308L60.4Low56.5Low47 Ų4775 Ų7525%0.24643%0.431CS..BIsolated β-bridgetrans-108.9108.9177-68.1176.8000108.7D254 V306 L328D254-L308 CarbonylContact O-C 3.59Å; D254-L308 PolarHBondContact O-N 3.3Å; V306-L308 HydrophobicContact CG1-CD2 3.96Å; V306-L308 HydrophobicContact CG1-CG 4.18Å; L308-L328 HydrophobicContact CD1-CD2 3.91Å
309Q53.6Low54.4Low71 Ų7173 Ų7333%0.33242%0.423SS..  trans-94.7133.4174-65-176.422.900109.3V307 D311V307-Q309 HydrophobicContact CG1-CG 4.22Å; Q309-D311 PolarHBondContact O-N 3.5Å; Q309-D311 VanDerWaalsContact O-N 3.1Å
310D52.8Low52.6Low94 Ų9474.1 Ų74.150%0.50343%0.432SS..  trans-71.898.7167178.118000108Y256 G312 R380Y256-D310 HydrophobicContact CD1-CB 4.43Å; D310-G312 PolarHBondContact O-N 3.26Å; D310-R380 IonicContact OD1-CZ 3.37Å; D310-R380 IonicContact OD1-NH2 3.2Å; D310-R380 PolarHBondContact OD1-NH2 3.27Å; D310-R380 IonicContact OD2-CZ 3.39Å; D310-R380 IonicContact OD2-NE 2.83Å; D310-R380 PolarHBondContact OD2-NE 3.13Å; D310-R380 VanDerWaalsContact OD2-NE 3.07Å; D310-R380 IonicContact OD2-NH2 2.64Å; D310-R380 PolarHBondContact OD2-NH2 3.46Å
311D50.4Low50.7Low95 Ų9576.9 Ų76.951%0.50845%0.448SS..  trans-75.124.3-169.5-72.5-39.2000114.9Q309 A313 K876Q309-D311 PolarHBondContact O-N 3.5Å; Q309-D311 VanDerWaalsContact O-N 3.1Å; D311-A313 PolarHBondContact O-N 3.4Å; D311-K876 WeakPolarHBondContact OD2-CE 3.47Å; D311-K876 IonicContact OD2-NZ 2.68Å; D311-K876 PolarHBondContact OD2-NZ 2.87Å
312G46.4Very low49.1Very low34 Ų3479.7 Ų79.735%0.35146%0.462SS..SBendtrans74.3-20.9165.900000116.1D310 A314 R380D310-G312 PolarHBondContact O-N 3.26Å; G312-A314 PolarHBondContact O-N 3.06Å; G312-R380 VanDerWaalsContact CA-NH2 3.25Å; G312-R380 PolarHBondContact O-NH1 3.23Å
313A41.7Very low47.8Very low66 Ų6685.7 Ų85.755%0.54549%0.486SS..  trans-62.1125.3172.700000108.6D311 K315D311-A313 PolarHBondContact O-N 3.4Å; A313-K315 PolarHBondContact O-N 3.28Å
314A39.5Very low46.7Very low87 Ų8786.4 Ų86.472%0.71949%0.485SS*.  trans-64.180.3159.800000106.3G312 D316G312-A314 PolarHBondContact O-N 3.06Å; A314-D316 PolarHBondContact O-N 3.13Å
315K38.3Very low45.8Very low113 Ų11390 Ų9049%0.49150%0.498SS..  trans-57.7123.3166.2-75-174.7-179.9-1740104.7A313 D317 V319 E324A313-K315 PolarHBondContact O-N 3.28Å; K315-D317 PolarHBondContact O-N 3Å; K315-V319 HydrophobicContact CB-CG2 3.9Å; K315-V319 HydrophobicContact CD-CG2 4.2Å; K315-V319 HydrophobicContact CG-CG2 4.36Å; K315-E324 IonicContact NZ-OE1 3.99Å; K315-E324 PolarHBondContact NZ-OE1 2.92Å
316D35.5Very low45.1Very low120 Ų12094.3 Ų94.364%0.64251%0.511SS*.  trans-44.1140.1173.8-151.31.9000108.3A314 N318 V319A314-D316 PolarHBondContact O-N 3.13Å; D316-N318 PolarHBondContact O-N 3.1Å; D316-V319 PolarHBondContact O-N 3.21Å
317D39.3Very low44.6Very low126 Ų12696.1 Ų96.167%0.67452%0.522SS*.THydrogen-bonded Turntrans-61.110.1-174.5-78.4-39000113.7K315K315-D317 PolarHBondContact O-N 3Å
318N33.4Very low44.1Very low129 Ų12995.6 Ų95.669%0.6952%0.517SS*.THydrogen-bonded Turntrans-112.510.2-176.4-66.3-43.5000114.6D316 D320D316-N318 PolarHBondContact O-N 3.1Å; N318-D320 PolarHBondContact O-N 3.23Å
319V36.7Very low43.3Very low78 Ų7898.7 Ų98.747%0.47354%0.538SS..SBendtrans-75.3116.8174-176.20000109.4K315 D316 E321K315-V319 HydrophobicContact CB-CG2 3.9Å; K315-V319 HydrophobicContact CD-CG2 4.2Å; K315-V319 HydrophobicContact CG-CG2 4.36Å; D316-V319 PolarHBondContact O-N 3.21Å; V319-E321 PolarHBondContact O-N 3.25Å
320D40.6Very low42.8Very low124 Ų12497.9 Ų97.966%0.66355%0.549SS*.  trans-46.5106.4-176.7-76-47.6000112.7N318 D322 E323N318-D320 PolarHBondContact O-N 3.23Å; D320-D322 PolarHBondContact O-N 3.35Å; D320-D322 VanDerWaalsContact O-N 3.1Å; D320-E323 PolarHBondContact O-N 3.26Å
321E44.4Very low42Very low125 Ų12598.6 Ų98.658%0.58457%0.568SS**Hα-helixtrans-57.4-23.6-178.8-62.6178.2151.100112.7V319 E323 E325V319-E321 PolarHBondContact O-N 3.25Å; E321-E323 VanDerWaalsContact C-N 3.32Å; E321-E323 PolarHBondContact O-N 3.21Å; E321-E325 PolarHBondContact O-N 3.4Å
322D43.8Very low41.7Very low108 Ų10898 Ų9858%0.57856%0.564SS**Hα-helixtrans-71.6-19-178.3-73.5-28.4000113.9D320 K326D320-D322 PolarHBondContact O-N 3.35Å; D320-D322 VanDerWaalsContact O-N 3.1Å; D322-K326 WeakPolarHBondContact O-CD 3.08Å; D322-K326 WeakPolarHBondContact O-CG 3.39Å
323E42.6Very low41.7Very low145 Ų145101 Ų10168%0.67858%0.576SS**Hα-helixtrans-87.3-38.7-179.8-66.7-140.9152.200113.1D320 E321 K326 V327D320-E323 PolarHBondContact O-N 3.26Å; E321-E323 VanDerWaalsContact C-N 3.32Å; E321-E323 PolarHBondContact O-N 3.21Å; E323-K326 PolarHBondContact O-N 3.44Å; E323-V327 WeakPolarHBondContact O-CG2 3.2Å
324E45.3Very low41.9Very low70 Ų70105.3 Ų105.333%0.32759%0.585SS.*Hα-helixtrans-72.8-33.5177.5-72-173.3-176.500112Y256 K315 V327Y256-E324 PolarHBondContact OH-OE2 3.05Å; K315-E324 IonicContact NZ-OE1 3.99Å; K315-E324 PolarHBondContact NZ-OE1 2.92Å; E324-V327 PolarHBondContact O-N 3.43Å
325E45.3Very low42.4Very low104 Ų104107.7 Ų107.749%0.48659%0.59SS.*Hα-helixtrans-68.4-33173.1-81.3-165.1159.500112.9E321 V327 L328E321-E325 PolarHBondContact O-N 3.4Å; E325-V327 VanDerWaalsContact C-N 3.31Å; E325-V327 PolarHBondContact O-N 3.05Å; E325-L328 WeakPolarHBondContact O-CB 3.41Å; E325-L328 PolarHBondContact O-N 3.43Å
326K42.4Very low43.4Very low141 Ų141104.3 Ų104.361%0.61358%0.584SS**Hα-helixtrans-66.8-29177.1-81.7172.4-168.7160.80113.4D322 E323 L328 T329D322-K326 WeakPolarHBondContact O-CD 3.08Å; D322-K326 WeakPolarHBondContact O-CG 3.39Å; E323-K326 PolarHBondContact O-N 3.44Å; K326-L328 PolarHBondContact O-N 3Å; K326-T329 PolarHBondContact O-N 2.83Å; K326-T329 PolarHBondContact O-OG1 3.26Å
327V46.4Very low45Very low91 Ų91104 Ų10455%0.55257%0.574SS**Hα-helixtrans-66.6-24.6176.9177.90000111.7E323 E324 E325E323-V327 WeakPolarHBondContact O-CG2 3.2Å; E324-V327 PolarHBondContact O-N 3.43Å; E325-V327 VanDerWaalsContact C-N 3.31Å; E325-V327 PolarHBondContact O-N 3.05Å
328L46.8Very low46.9Very low39 Ų39104.1 Ų104.120%0.20457%0.565CS.*Hα-helixtrans-79.7-23.1180-65.6166.4000113.1L257 L308 E325 K326 G330L257-L328 HydrophobicContact CD1-CD1 3.92Å; L308-L328 HydrophobicContact CD1-CD2 3.91Å; E325-L328 WeakPolarHBondContact O-CB 3.41Å; E325-L328 PolarHBondContact O-N 3.43Å; K326-L328 PolarHBondContact O-N 3Å; L328-G330 PolarHBondContact O-N 2.73Å
329T43.6Very low49.3Very low112 Ų11298.9 Ų98.969%0.68754%0.539SS*.  trans-92.359.9-176.450.20000112.8K326K326-T329 PolarHBondContact O-N 2.83Å; K326-T329 PolarHBondContact O-OG1 3.26Å
330G42.7Very low51.8Low54 Ų5495.4 Ų95.456%0.55752%0.518SS*.  trans-73.2134.4163.800000110.9L328 L332L328-G330 PolarHBondContact O-N 2.73Å; G330-L332 PolarHBondContact O-N 2.83Å
331A36.2Very low54.2Low110 Ų11089.6 Ų89.691%0.90949%0.487SS*.  trans-64.4107.1177.100000110.7
332L45.8Very low56.5Low82 Ų8287.3 Ų87.343%0.42948%0.475SS..  trans-116.5153.3177.2-70.9168.8000111.3A302 G330A302-L332 HydrophobicContact CB-CD1 4.03Å; G330-L332 PolarHBondContact O-N 2.83Å
333T45.4Very low59Low96 Ų9682.3 Ų82.359%0.58945%0.449SS*.  trans-60.1143.5-176.441.30000113T335 A336T333-T335 PolarHBondContact O-N 3.33Å; T333-A336 PolarHBondContact O-N 3.33Å; T333-A336 VanDerWaalsContact O-N 3.16Å
334E47Very low61.4Low158 Ų15876 Ų7674%0.73842%0.42SS*.G310 helixtrans-56.8-24-177.2-75.6-168.3139.400114.2A336 R337E334-A336 VanDerWaalsContact C-N 3.27Å; E334-A336 PolarHBondContact O-N 3.4Å; E334-R337 IonicContact OE1-NH1 3.71Å
335T49.3Very low63.6Low136 Ų13672.7 Ų72.783%0.83441%0.405SS*.G310 helixtrans-72.5-13.1-178.747.90000114.3T333T333-T335 PolarHBondContact O-N 3.33Å
336A58.1Low65.8Low43 Ų4369.3 Ų69.336%0.35539%0.39SS..G310 helixtrans-102.2-1.1-177.800000114.8A302 T333 E334 R338A302-A336 HydrophobicContact CB-CB 4.2Å; A302-A336 WeakPolarHBondContact CB-O 3.36Å; T333-A336 PolarHBondContact O-N 3.33Å; T333-A336 VanDerWaalsContact O-N 3.16Å; E334-A336 VanDerWaalsContact C-N 3.27Å; E334-A336 PolarHBondContact O-N 3.4Å; A336-R338 PolarHBondContact O-N 3.18Å
337R70.8Confident68.1Low113 Ų11364.8 Ų64.843%0.42637%0.372SS..PPolyproline II helixtrans-71.8126.7-177.8-70.6-177.8174.8159.72.5111.3W300 E334W300-R337 HydrophobicContact CB-CB 4.12Å; W300-R337 VanDerWaalsContact O-CD 3.22Å; W300-R337 WeakPolarHBondContact O-CD 3.48Å; W300-R337 WeakPolarHBondContact O-CG 3.44Å; W300-R337 PolarHBondContact O-NE 3.26Å; E334-R337 IonicContact OE1-NH1 3.71Å
338R77.9Confident70.1Confident129 Ų12967 Ų6749%0.48737%0.374SS..PPolyproline II helixtrans-102.7159.5175.2-66.1-170.8177.1-161.6-2110.9E272 W300 V301 A336 T340E272-R338 IonicContact OE2-NH1 2.71Å; W300-R338 VanDerWaalsContact CB-O 3.31Å; W300-R338 WeakPolarHBondContact CB-O 3.4Å; V301-R338 PolarHBondContact O-N 3.39Å; A336-R338 PolarHBondContact O-N 3.18Å; R338-T340 PolarHBondContact O-N 3.3Å
339A84.9Confident72Confident19 Ų1968.6 Ų68.616%0.15738%0.377CS..PPolyproline II helixtrans-58.1120.5175.700000110.8L274 W300L274-A339 PolarHBondContact N-O 2.87Å; W300-A339 HydrophobicContact CH2-CB 4.14Å; W300-A339 HydrophobicContact CZ2-CB 4.02Å; W300-A339 HydrophobicContact CZ3-CB 4.48Å
340T89Confident74.1Confident5 Ų567.5 Ų67.53%0.03137%0.367CS..BIsolated β-bridgetrans-105.9148.3177.255.30000112.6L274 L295 Q299 W300 V301 R338L274-T340 HydrophobicContact CB-CG2 4.4Å; L274-T340 CarbonylContact O-C 3.5Å; L274-T340 WeakPolarHBondContact O-CA 3.29Å; L295-T340 PolarHBondContact N-O 3.32Å; Q299-T340 PolarHBondContact O-OG1 3.4Å; W300-T340 WeakPolarHBondContact CA-OG1 3.31Å; V301-T340 HydrophobicContact CB-CG2 4.14Å; V301-T340 HydrophobicContact CG1-CG2 4.42Å; V301-T340 HydrophobicContact CG2-CG2 3.34Å; V301-T340 VanDerWaalsContact N-CG2 3.31Å; R338-T340 PolarHBondContact O-N 3.3Å
341G90.9Very high76.3Confident1 Ų168.3 Ų68.31%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-146.5171.6178.700000113.4L274 Q293L274-G341 PolarHBondContact O-N 2.86Å; Q293-G341 CarbonylContact O-C 3.56Å; Q293-G341 WeakPolarHBondContact O-CA 3.39Å
342K93.1Very high78.7Confident77 Ų7766.4 Ų66.434%0.33532%0.323SS..EExtended strand (participates in β ladder)trans-125.2143172.866178.5-179.7-1780111.1N280 V292 Q293 L295 V344N280-K342 HydrophobicContact CB-CB 4.02Å; N280-K342 WeakPolarHBondContact OD1-CB 3.38Å; V292-K342 WeakPolarHBondContact CA-O 3.36Å; Q293-K342 HydrophobicContact CB-CG 4.24Å; Q293-K342 PolarHBondContact N-O 3.1Å; Q293-K342 PolarHBondContact O-N 2.89Å; L295-K342 HydrophobicContact CD2-CD 4.14Å; L295-K342 HydrophobicContact CD2-CG 4.25Å; K342-V344 HydrophobicContact CG-CG1 4.31Å
343V94.4Very high80.8Confident3 Ų365 Ų652%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-77.2123.1176.2178.30000109.5F249 I275 N280 N282 V290 V292 I346F249-V343 HydrophobicContact CD2-CG2 4.49Å; I275-V343 HydrophobicContact CD1-CG2 3.52Å; N280-V343 WeakPolarHBondContact O-CB 3.48Å; N280-V343 PolarHBondContact O-N 2.89Å; N282-V343 HydrophobicContact CB-CB 4Å; N282-V343 HydrophobicContact CB-CG1 4.36Å; N282-V343 WeakPolarHBondContact CB-O 3.35Å; N282-V343 PolarHBondContact ND2-O 3.43Å; V290-V343 HydrophobicContact CB-CG1 4.11Å; V290-V343 HydrophobicContact CB-CG2 4.48Å; V290-V343 HydrophobicContact CG1-CG1 4.32Å; V290-V343 HydrophobicContact CG2-CG2 4.4Å; V292-V343 HydrophobicContact CG2-CG2 4.49Å; V343-I346 HydrophobicContact CG1-CD1 3.98Å
344V93.4Very high83.1Confident14 Ų1460.7 Ų60.79%0.08529%0.292CS..EExtended strand (participates in β ladder)trans-107-15.6-179-64.50000113.3L230 F244 A291 Q293 K342L230-V344 HydrophobicContact CD1-CB 4.14Å; L230-V344 HydrophobicContact CD1-CG2 4.33Å; L230-V344 PolarHBondContact N-O 3.26Å; F244-V344 HydrophobicContact CD1-CG2 3.98Å; F244-V344 HydrophobicContact CD2-CG2 4.4Å; F244-V344 HydrophobicContact CE1-CG1 4.47Å; F244-V344 HydrophobicContact CE1-CG2 3.96Å; F244-V344 HydrophobicContact CE2-CG2 4.38Å; F244-V344 HydrophobicContact CG-CG2 4.23Å; F244-V344 HydrophobicContact CZ-CG2 4.16Å; A291-V344 HydrophobicContact CB-CG2 4.15Å; A291-V344 WeakPolarHBondContact O-CG2 3.47Å; A291-V344 PolarHBondContact O-N 2.92Å; Q293-V344 HydrophobicContact CB-CG1 3.77Å; K342-V344 HydrophobicContact CG-CG1 4.31Å
345G91.4Very high85.3Confident0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-174.2161.4177.900000112.4A291A291-G345 PolarHBondContact N-O 3.12Å
346I92Very high87.3Confident32 Ų3246.8 Ų46.816%0.16422%0.217CC..EExtended strand (participates in β ladder)trans-108.9123.6179.5-48.2-64.5000108.5A284 V290 V343 R349A284-I346 HydrophobicContact CB-CD1 4.08Å; V290-I346 HydrophobicContact CB-CD1 4.49Å; V290-I346 HydrophobicContact CG1-CD1 3.66Å; V343-I346 HydrophobicContact CG1-CD1 3.98Å; I346-R349 HydrophobicContact CG2-CG 4.12Å
347I90.1Very high88.9Confident46 Ų4645.4 Ų45.424%0.23620%0.204CC..EExtended strand (participates in β ladder)trans-86.8-44.3-178.5-61.6170.7000109.8L232 V235 I239 Q246 V289 A291L232-I347 HydrophobicContact CD1-CG1 4.48Å; L232-I347 HydrophobicContact CD1-CG2 4.28Å; V235-I347 HydrophobicContact CG1-CD1 4.25Å; V235-I347 HydrophobicContact CG1-CG1 3.95Å; I239-I347 HydrophobicContact CD1-CD1 3.73Å; Q246-I347 HydrophobicContact CB-CD1 3.96Å; Q246-I347 VanDerWaalsContact CD-CD1 3.49Å; Q246-I347 HydrophobicContact CG-CD1 3.59Å; V289-I347 HydrophobicContact CB-CB 4.48Å; V289-I347 HydrophobicContact CG1-CB 4.15Å; V289-I347 HydrophobicContact CG1-CD1 4.36Å; V289-I347 HydrophobicContact CG1-CG2 4.45Å; V289-I347 PolarHBondContact O-N 3.24Å; A291-I347 HydrophobicContact CB-CD1 4.22Å; A291-I347 HydrophobicContact CB-CG1 4.37Å
348K88.3Confident89.8Confident138 Ų13840.5 Ų40.560%0.619%0.186SC*.EExtended strand (participates in β ladder)trans-146.6122.1179.5-174.6-175.5175.6-170.20109.8V289V289-K348 HydrophobicContact CB-CB 4Å; V289-K348 HydrophobicContact CG2-CB 4.14Å; V289-K348 PolarHBondContact N-O 3.39Å; V289-K348 PolarHBondContact O-N 3.43Å
349R88Confident90.1Very high73 Ų7337.2 Ų37.228%0.27518%0.178SC..  trans-75.4140.7169.3-67.1-67.6-171.9178.67.2110.1R283 D288 I346 W351R283-R349 PolarHBondContact O-NH1 3.29Å; R283-R349 PolarHBondContact O-NH2 3.3Å; D288-R349 WeakPolarHBondContact OD1-CA 3.45Å; D288-R349 WeakPolarHBondContact OD2-CD 3.26Å; D288-R349 IonicContact OD2-CZ 2.87Å; D288-R349 IonicContact OD2-NE 3.76Å; D288-R349 IonicContact OD2-NH1 3.83Å; D288-R349 PolarHBondContact OD2-NH1 3.12Å; I346-R349 HydrophobicContact CG2-CG 4.12Å; R349-W351 HydrophobicContact CB-CD2 4.38Å; R349-W351 HydrophobicContact CG-CZ2 4.18Å
350N87.1Confident89.9Confident88 Ų8839.5 Ų39.547%0.47119%0.19SC..  trans-126.150.7176.5-163.228.9000111Q287 D288Q287-N350 WeakPolarHBondContact O-CB 3.47Å; D288-N350 PolarHBondContact OD1-N 3.31Å
351W88.6Confident89.1Confident72 Ų7241.3 Ų41.327%0.27320%0.203SC..  trans-75.6147.7179.2-60.9-17.5000111.4R349 I400 D401R349-W351 HydrophobicContact CB-CD2 4.38Å; R349-W351 HydrophobicContact CG-CZ2 4.18Å; W351-I400 HydrophobicContact CD2-CB 4.09Å; W351-I400 HydrophobicContact CD2-CG2 3.98Å; W351-I400 HydrophobicContact CE3-CB 4.04Å; W351-I400 HydrophobicContact CE3-CG2 3.86Å; W351-I400 HydrophobicContact CH2-CG2 3.82Å; W351-I400 HydrophobicContact CZ2-CG2 3.92Å; W351-I400 HydrophobicContact CZ3-CB 4.43Å; W351-I400 HydrophobicContact CZ3-CG2 3.79Å; W351-D401 WeakPolarHBondContact CZ3-O 3.42Å
352R88Confident88Confident70 Ų7050.6 Ų50.626%0.26425%0.246SC..  trans-135.4164.2173.261.5168.1178.584.4-6.2108.2F354 E434R352-F354 HydrophobicContact CG-CD1 4.26Å; R352-F354 HydrophobicContact CG-CE1 3.76Å; R352-F354 HydrophobicContact CG-CZ 3.95Å; R352-F354 WeakPolarHBondContact O-CD2 3.46Å; R352-F354 WeakPolarHBondContact O-CE2 3.3Å; R352-E434 IonicContact CZ-OE1 3.27Å; R352-E434 IonicContact CZ-OE2 2.89Å; R352-E434 IonicContact NH1-OE1 2.73Å; R352-E434 PolarHBondContact NH1-OE1 2.97Å; R352-E434 IonicContact NH1-OE2 3.07Å; R352-E434 PolarHBondContact NH1-OE2 2.94Å; R352-E434 PolarHBondContact NH2-O 2.95Å; R352-E434 VanDerWaalsContact NH2-O 3.16Å; R352-E434 IonicContact NH2-OE1 3.17Å; R352-E434 IonicContact NH2-OE2 2.71Å; R352-E434 PolarHBondContact NH2-OE2 2.86Å
353P88.9Confident86.8Confident52 Ų5252 Ų5234%0.33826%0.255SS..  trans-59139.5163.423.2-32.4000110.7M397P353-M397 HydrophobicContact CB-CG 3.58Å; P353-M397 HydrophobicContact CB-SD 3.5Å; P353-M397 VanDerWaalsContact CB-SD 3.5Å; P353-M397 HydrophobicContact CG-SD 4.07Å
354F92.9Very high85.3Confident6 Ų661.3 Ų61.33%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-115.6135.7179.2-61.9-75.3000109.9V285 R352 F371 I378 I381 M397 V398 I400V285-F354 HydrophobicContact CG1-CZ 4.47Å; R352-F354 HydrophobicContact CG-CD1 4.26Å; R352-F354 HydrophobicContact CG-CE1 3.76Å; R352-F354 HydrophobicContact CG-CZ 3.95Å; R352-F354 WeakPolarHBondContact O-CD2 3.46Å; R352-F354 WeakPolarHBondContact O-CE2 3.3Å; F354-F371 HydrophobicContact CB-CE1 4.35Å; F354-F371 WeakPolarHBondContact O-CZ 3.43Å; F354-I378 HydrophobicContact CD1-CD1 4.36Å; F354-I378 HydrophobicContact CD1-CG1 3.89Å; F354-I378 HydrophobicContact CD1-CG2 4.36Å; F354-I378 HydrophobicContact CD2-CG2 4.31Å; F354-I378 HydrophobicContact CE1-CD1 3.58Å; F354-I378 HydrophobicContact CE1-CG1 3.61Å; F354-I378 HydrophobicContact CE1-CG2 4.33Å; F354-I378 HydrophobicContact CE2-CG2 4.27Å; F354-I378 HydrophobicContact CG-CG2 4.36Å; F354-I378 HydrophobicContact CZ-CD1 3.81Å; F354-I378 HydrophobicContact CZ-CG1 4.18Å; F354-I378 HydrophobicContact CZ-CG2 4.28Å; F354-I381 HydrophobicContact CD2-CD1 4.26Å; F354-M397 CarbonylContact O-C 3.53Å; F354-M397 WeakPolarHBondContact O-CA 3.45Å; F354-V398 PolarHBondContact N-O 3.31Å; F354-V398 PolarHBondContact O-N 2.91Å; F354-I400 HydrophobicContact CD2-CD1 4.12Å; F354-I400 HydrophobicContact CD2-CG1 4.21Å; F354-I400 HydrophobicContact CE2-CD1 3.63Å; F354-I400 HydrophobicContact CE2-CG1 4.05Å
355C93.8Very high84Confident1 Ų168.6 Ų68.61%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-88.6147.9174.1-56.70000109.9P373 A374 I396 L418 V430 L433 E434C355-P373 CarbonylContact O-C 3.43Å; C355-A374 VanDerWaalsContact O-CB 3.31Å; C355-A374 WeakPolarHBondContact O-CB 3.31Å; C355-A374 PolarHBondContact O-N 3.16Å; C355-I396 CarbonylContact C-O 3.49Å; C355-I396 WeakPolarHBondContact CA-O 3.45Å; C355-L418 HydrophobicContact CB-CD1 4.3Å; C355-V430 HydrophobicContact CB-CG1 3.85Å; C355-V430 HydrophobicContact CB-CG2 4.37Å; C355-L433 VanDerWaalsContact SG-CB 3.57Å; C355-E434 HydrophobicContact CB-CG 4.09Å; C355-E434 PolarHBondContact N-OE1 2.83Å
356G92.3Very high83Confident0 Ų070.1 Ų70.10%034%0.34CS..EExtended strand (participates in β ladder)trans177.5-159-17800000113.2F371 T372 R395 I396G356-F371 VanDerWaalsContact CA-CZ 3.41Å; G356-F371 VanDerWaalsContact N-CZ 3.33Å; G356-T372 CarbonylContact C-O 3.53Å; G356-T372 WeakPolarHBondContact CA-O 3.41Å; G356-R395 WeakPolarHBondContact O-CA 3.43Å; G356-I396 PolarHBondContact N-O 3.32Å; G356-I396 PolarHBondContact O-N 3.06Å
357M91.1Very high82.1Confident15 Ų1571.6 Ų71.67%0.07435%0.351CS..EExtended strand (participates in β ladder)trans-130.5152-179.5-66.9-175.469.100111.1F371 T372 A421 I916 Q917M357-F371 WeakPolarHBondContact O-CD2 3.17Å; M357-T372 PolarHBondContact N-O 3.39Å; M357-T372 PolarHBondContact O-N 2.75Å; M357-A421 HydrophobicContact CE-CB 3.83Å; M357-A421 HydrophobicContact SD-CB 3.98Å; M357-I916 HydrophobicContact CE-CB 4.31Å; M357-I916 HydrophobicContact CE-CG2 3.98Å; M357-I916 HydrophobicContact SD-CB 4.35Å; M357-I916 HydrophobicContact SD-CG2 4.09Å; M357-Q917 HydrophobicContact CG-CB 4.31Å; M357-Q917 HydrophobicContact SD-CB 3.7Å
358L88.9Confident81.5Confident10 Ų1075 Ų755%0.05236%0.36CS..EExtended strand (participates in β ladder)trans-85.4122.1176.1-166.963.2000110.9V360 H369 I383 T385 A388 L391 I396L358-V360 HydrophobicContact CD2-CG2 4.32Å; L358-V360 HydrophobicContact CG-CG2 4.41Å; L358-V360 PolarHBondContact O-N 3.45Å; L358-H369 HydrophobicContact CD1-CB 3.57Å; L358-H369 HydrophobicContact CD2-CB 4.36Å; L358-H369 HydrophobicContact CG-CB 4.16Å; L358-I383 HydrophobicContact CD1-CD1 3.45Å; L358-I383 VanDerWaalsContact CD1-CD1 3.45Å; L358-I383 HydrophobicContact CD1-CG1 3.82Å; L358-T385 HydrophobicContact CD2-CG2 4.1Å; L358-A388 HydrophobicContact CD2-CB 3.95Å; L358-L391 HydrophobicContact CD2-CB 4.07Å; L358-I396 HydrophobicContact CB-CD1 4.08Å
359N84.9Confident81.2Confident60 Ų6069 Ų6932%0.32133%0.334SS..EExtended strand (participates in β ladder)trans-87.9103.9164.3-64.6-11.1000107.9L370 T372N359-L370 WeakPolarHBondContact CA-O 3.45Å; N359-L370 HydrophobicContact CB-CB 4.47Å; N359-L370 VanDerWaalsContact CB-O 3.28Å; N359-L370 WeakPolarHBondContact CB-O 3.41Å; N359-L370 PolarHBondContact N-O 3.04Å; N359-L370 PolarHBondContact O-N 2.79Å; N359-T372 PolarHBondContact ND2-OG1 2.91Å
360V79.7Confident81.1Confident67 Ų6767 Ų6741%0.40633%0.329SS..  trans-69137.2-179.7-172.30000109.5L358 A388 A392L358-V360 HydrophobicContact CD2-CG2 4.32Å; L358-V360 HydrophobicContact CG-CG2 4.41Å; L358-V360 PolarHBondContact O-N 3.45Å; V360-A388 HydrophobicContact CG1-CB 4.16Å; V360-A388 HydrophobicContact CG2-CB 4.42Å; V360-A392 HydrophobicContact CG2-CB 3.93Å
361S73.2Confident81.3Confident43 Ų4362.9 Ų62.930%0.30131%0.307SS..  trans-65148.9174.2-1760000109.4I363S361-I363 PolarHBondContact O-N 3.46Å; S361-I363 PolarHBondContact OG-N 2.96Å
362Q67.4Low81.4Confident196 Ų19660.5 Ų60.592%0.91630%0.3SS*.SBendtrans-64.8-20.9174-64.7-176.7-2.200111.9
363I69.1Low81.6Confident105 Ų10557.3 Ų57.354%0.53829%0.289SS..SBendtrans-85112.5176.3-57.5166.8000109S361 E365 S366S361-I363 PolarHBondContact O-N 3.46Å; S361-I363 PolarHBondContact OG-N 2.96Å; I363-E365 VanDerWaalsContact C-N 3.34Å; I363-E365 PolarHBondContact O-N 3.38Å; I363-S366 WeakPolarHBondContact O-CB 3.24Å; I363-S366 PolarHBondContact O-N 2.85Å
364K62.1Low81.6Confident199 Ų19956 Ų5687%0.86528%0.282SS*.THydrogen-bonded Turntrans-66.3-29.5-175.5-69.8-175.6178.4-179.30114.1
365E67.2Low81.3Confident167 Ų16756.5 Ų56.578%0.7829%0.285SS*.THydrogen-bonded Turntrans-87-3.3177.2-55.290.818000114.1I363 T367I363-E365 VanDerWaalsContact C-N 3.34Å; I363-E365 PolarHBondContact O-N 3.38Å; E365-T367 PolarHBondContact O-N 3.42Å
366S69.9Low80.8Confident33 Ų3362.1 Ų62.123%0.23131%0.306CS..  trans-66.2133.9178.4-177.30000110I363 R368 H369I363-S366 WeakPolarHBondContact O-CB 3.24Å; I363-S366 PolarHBondContact O-N 2.85Å; S366-R368 PolarHBondContact OG-N 3.13Å; S366-R368 PolarHBondContact OG-O 3.13Å; S366-H369 PolarHBondContact O-CE1 2.95Å; S366-H369 PolarHBondContact O-NE2 2.73Å
367T73.2Confident80.6Confident63 Ų6364.7 Ų64.739%0.38732%0.316SS..  trans-88.7-19.1169.554.50000112E365 H369 E384 T385 R386E365-T367 PolarHBondContact O-N 3.42Å; T367-H369 PolarHBondContact O-ND1 3.35Å; T367-E384 WeakPolarHBondContact O-CA 3.37Å; T367-T385 PolarHBondContact O-N 3.36Å; T367-R386 HydrophobicContact CG2-CG 4.3Å
368R76.7Confident80.5Confident118 Ų11864.4 Ų64.445%0.44532%0.315SS..EExtended strand (participates in β ladder)trans-89.5124.9-179.9-74.2174.7176.5174.42.7110.3S366 E384S366-R368 PolarHBondContact OG-N 3.13Å; S366-R368 PolarHBondContact OG-O 3.13Å; R368-E384 HydrophobicContact CG-CG 3.86Å; R368-E384 IonicContact CZ-OE1 3.87Å; R368-E384 IonicContact NE-OE1 2.78Å; R368-E384 PolarHBondContact NE-OE1 3.41Å; R368-E384 IonicContact NH2-OE1 2.74Å; R368-E384 PolarHBondContact NH2-OE1 2.87Å; R368-E384 VanDerWaalsContact NH2-OE1 3.14Å
369H82.6Confident80.6Confident11 Ų1165.7 Ų65.75%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-132.5160.4-176.7-6292.2000110.2L358 S366 T367 R382 I383 T385 A388L358-H369 HydrophobicContact CD1-CB 3.57Å; L358-H369 HydrophobicContact CD2-CB 4.36Å; L358-H369 HydrophobicContact CG-CB 4.16Å; S366-H369 PolarHBondContact O-CE1 2.95Å; S366-H369 PolarHBondContact O-NE2 2.73Å; T367-H369 PolarHBondContact O-ND1 3.35Å; H369-R382 WeakPolarHBondContact O-CA 3.23Å; H369-I383 HydrophobicContact CB-CG1 4.29Å; H369-I383 PolarHBondContact N-O 3.18Å; H369-I383 PolarHBondContact O-N 3.39Å; H369-T385 PolarHBondContact CE1-O 3.05Å; H369-T385 PolarHBondContact ND1-O 3.26Å; H369-A388 WeakPolarHBondContact CE1-CB 3.32Å; H369-A388 WeakPolarHBondContact NE2-CB 3.38Å
370L86.2Confident80.8Confident32 Ų3263.5 Ų63.517%0.16831%0.311CS..EExtended strand (participates in β ladder)trans-108.6120.9179.2-166.966.3000109.2N359 R380 Y409N359-L370 WeakPolarHBondContact CA-O 3.45Å; N359-L370 HydrophobicContact CB-CB 4.47Å; N359-L370 VanDerWaalsContact CB-O 3.28Å; N359-L370 WeakPolarHBondContact CB-O 3.41Å; N359-L370 PolarHBondContact N-O 3.04Å; N359-L370 PolarHBondContact O-N 2.79Å; L370-R380 HydrophobicContact CD1-CB 3.77Å; L370-R380 HydrophobicContact CD2-CB 4.07Å; L370-R380 HydrophobicContact CD2-CG 4.44Å; L370-R380 HydrophobicContact CG-CB 3.85Å; L370-Y409 HydrophobicContact CD1-CD1 4.41Å; L370-Y409 HydrophobicContact CD1-CD2 3.95Å; L370-Y409 HydrophobicContact CD1-CE2 4.29Å; L370-Y409 HydrophobicContact CD1-CG 4.02Å; L370-Y409 HydrophobicContact CD2-CE2 4.46Å
371F90.5Very high81.3Confident0 Ų060.3 Ų60.30%029%0.292CS..EExtended strand (participates in β ladder)trans-91.3131.3173.9170-99.4000110F354 G356 M357 P373 R380 I381 I383 I396 V398F354-F371 HydrophobicContact CB-CE1 4.35Å; F354-F371 WeakPolarHBondContact O-CZ 3.43Å; G356-F371 VanDerWaalsContact CA-CZ 3.41Å; G356-F371 VanDerWaalsContact N-CZ 3.33Å; M357-F371 WeakPolarHBondContact O-CD2 3.17Å; F371-P373 HydrophobicContact CD1-CG 4.06Å; F371-P373 HydrophobicContact CE1-CB 4.06Å; F371-P373 HydrophobicContact CE1-CG 3.84Å; F371-P373 WeakPolarHBondContact O-CD 3.28Å; F371-R380 CarbonylContact O-C 3.53Å; F371-R380 VanDerWaalsContact O-CA 3.28Å; F371-R380 WeakPolarHBondContact O-CA 3.3Å; F371-R380 WeakPolarHBondContact O-CB 3.5Å; F371-I381 HydrophobicContact CB-CB 4.35Å; F371-I381 WeakPolarHBondContact CB-O 3.44Å; F371-I381 HydrophobicContact CD1-CB 4.03Å; F371-I381 HydrophobicContact CD1-CD1 3.82Å; F371-I381 HydrophobicContact CD1-CG1 4.11Å; F371-I381 HydrophobicContact CE1-CD1 4.01Å; F371-I381 PolarHBondContact N-O 3.3Å; F371-I381 PolarHBondContact O-N 3.02Å; F371-I383 HydrophobicContact CB-CD1 4.46Å; F371-I383 HydrophobicContact CB-CG2 4.12Å; F371-I396 HydrophobicContact CD2-CD1 3.92Å; F371-I396 HydrophobicContact CD2-CG1 3.84Å; F371-I396 HydrophobicContact CE2-CD1 4.21Å; F371-I396 HydrophobicContact CE2-CG1 3.6Å; F371-V398 HydrophobicContact CB-CG2 4.31Å; F371-V398 HydrophobicContact CD1-CB 3.94Å; F371-V398 HydrophobicContact CD1-CG1 4.19Å; F371-V398 HydrophobicContact CD1-CG2 4.05Å; F371-V398 HydrophobicContact CD2-CB 4.32Å; F371-V398 HydrophobicContact CD2-CG2 3.58Å; F371-V398 HydrophobicContact CE1-CB 3.82Å; F371-V398 HydrophobicContact CE1-CG1 4.44Å; F371-V398 HydrophobicContact CE1-CG2 4.16Å; F371-V398 HydrophobicContact CE2-CB 4.2Å; F371-V398 HydrophobicContact CE2-CG2 3.7Å; F371-V398 HydrophobicContact CG-CB 4.15Å; F371-V398 HydrophobicContact CG-CG1 4.47Å; F371-V398 HydrophobicContact CG-CG2 3.72Å; F371-V398 HydrophobicContact CZ-CB 3.92Å; F371-V398 HydrophobicContact CZ-CG2 3.96Å
372T90.9Very high82Confident22 Ų2261 Ų6114%0.13529%0.288CS..EExtended strand (participates in β ladder)trans-102.4113.4173.8-56.70000108.9G356 M357 N359 Q917G356-T372 CarbonylContact C-O 3.53Å; G356-T372 WeakPolarHBondContact CA-O 3.41Å; M357-T372 PolarHBondContact N-O 3.39Å; M357-T372 PolarHBondContact O-N 2.75Å; N359-T372 PolarHBondContact ND2-OG1 2.91Å; T372-Q917 VanDerWaalsContact CG2-OE1 3.31Å; T372-Q917 PolarHBondContact O-NE2 3.32Å; T372-Q917 PolarHBondContact O-OE1 3.22Å
373P91.4Very high82.9Confident4 Ų451.8 Ų51.83%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-66.2151.1175.4-18.830.3000112.5C355 F371 D375 I378 P379 I381 Q917C355-P373 CarbonylContact O-C 3.43Å; F371-P373 HydrophobicContact CD1-CG 4.06Å; F371-P373 HydrophobicContact CE1-CB 4.06Å; F371-P373 HydrophobicContact CE1-CG 3.84Å; F371-P373 WeakPolarHBondContact O-CD 3.28Å; P373-D375 VanDerWaalsContact C-N 3.32Å; P373-I378 HydrophobicContact CB-CB 3.97Å; P373-I378 HydrophobicContact CB-CG2 4.17Å; P373-I378 HydrophobicContact CG-CB 3.95Å; P373-I378 HydrophobicContact CG-CG2 3.74Å; P373-P379 WeakPolarHBondContact CG-O 3.21Å; P373-I381 HydrophobicContact CG-CD1 4.25Å; P373-I381 HydrophobicContact CG-CG1 4.33Å; P373-Q917 PolarHBondContact O-NE2 3.1Å; P373-Q917 VanDerWaalsContact O-NE2 3.13Å
374A89.2Confident83.5Confident24 Ų2450 Ų5020%0.19823%0.234CC..SBendtrans-71.3-27.117400000112.3C355 R376 E434 Q917 H918C355-A374 VanDerWaalsContact O-CB 3.31Å; C355-A374 WeakPolarHBondContact O-CB 3.31Å; C355-A374 PolarHBondContact O-N 3.16Å; A374-R376 PolarHBondContact O-N 2.82Å; A374-E434 HydrophobicContact CB-CG 4.28Å; A374-Q917 VanDerWaalsContact CA-NE2 3.33Å; A374-Q917 VanDerWaalsContact N-NE2 3.12Å; A374-H918 PolarHBondContact O-CE1 3.4Å
375D86.8Confident84.4Confident17 Ų1740.6 Ų40.69%0.09119%0.193CC..SBendtrans-85.6111.8169.9-169.6-7.7000110.5P373 R377 I378P373-D375 VanDerWaalsContact C-N 3.32Å; D375-R377 PolarHBondContact O-N 3Å; D375-R377 WeakPolarHBondContact OD1-CB 3.35Å; D375-R377 IonicContact OD1-CZ 3.24Å; D375-R377 PolarHBondContact OD1-N 2.79Å; D375-R377 IonicContact OD1-NE 3.01Å; D375-R377 PolarHBondContact OD1-NE 3.49Å; D375-R377 IonicContact OD1-NH2 2.9Å; D375-R377 PolarHBondContact OD1-NH2 3.39Å; D375-R377 IonicContact OD2-CZ 2.66Å; D375-R377 IonicContact OD2-NE 2.7Å; D375-R377 PolarHBondContact OD2-NE 2.84Å; D375-R377 IonicContact OD2-NH2 2.69Å; D375-R377 PolarHBondContact OD2-NH2 3.05Å; D375-I378 HydrophobicContact CB-CG1 3.99Å; D375-I378 WeakPolarHBondContact O-CB 3.39Å; D375-I378 PolarHBondContact O-N 2.85Å
376R83.6Confident85Confident118 Ų11842.8 Ų42.845%0.44519%0.194SC..THydrogen-bonded Turntrans-60.9-14.5178.6-62.7-176.2-179-175.9-3114.4A374 I378A374-R376 PolarHBondContact O-N 2.82Å; R376-I378 PolarHBondContact O-N 3.25Å
377R87.6Confident85.5Confident54 Ų5442.6 Ų42.620%0.20419%0.19CC..THydrogen-bonded Turntrans-75.6-12.2174.3-67.7171-72.3175.60.8112.9A251 R253 H286 D375A251-R377 HydrophobicContact CB-CB 4.13Å; A251-R377 HydrophobicContact CB-CG 4.45Å; R253-R377 HydrophobicContact CG-CG 3.73Å; H286-R377 HydrophobicContact CB-CB 4.34Å; H286-R377 PolarHBondContact CE1-NH1 2.86Å; H286-R377 PolarHBondContact NE2-NH1 2.84Å; D375-R377 PolarHBondContact O-N 3Å; D375-R377 WeakPolarHBondContact OD1-CB 3.35Å; D375-R377 IonicContact OD1-CZ 3.24Å; D375-R377 PolarHBondContact OD1-N 2.79Å; D375-R377 IonicContact OD1-NE 3.01Å; D375-R377 PolarHBondContact OD1-NE 3.49Å; D375-R377 IonicContact OD1-NH2 2.9Å; D375-R377 PolarHBondContact OD1-NH2 3.39Å; D375-R377 IonicContact OD2-CZ 2.66Å; D375-R377 IonicContact OD2-NE 2.7Å; D375-R377 PolarHBondContact OD2-NE 2.84Å; D375-R377 IonicContact OD2-NH2 2.69Å; D375-R377 PolarHBondContact OD2-NH2 3.05Å
378I90.2Very high85.9Confident10 Ų1040 Ų405%0.05118%0.175CC..SBendtrans-102.2129.7-178.7-51.4-60.5000107.8V285 H286 F354 P373 D375 R376 I400V285-I378 HydrophobicContact CG1-CD1 3.74Å; H286-I378 HydrophobicContact CB-CD1 3.94Å; F354-I378 HydrophobicContact CD1-CD1 4.36Å; F354-I378 HydrophobicContact CD1-CG1 3.89Å; F354-I378 HydrophobicContact CD1-CG2 4.36Å; F354-I378 HydrophobicContact CD2-CG2 4.31Å; F354-I378 HydrophobicContact CE1-CD1 3.58Å; F354-I378 HydrophobicContact CE1-CG1 3.61Å; F354-I378 HydrophobicContact CE1-CG2 4.33Å; F354-I378 HydrophobicContact CE2-CG2 4.27Å; F354-I378 HydrophobicContact CG-CG2 4.36Å; F354-I378 HydrophobicContact CZ-CD1 3.81Å; F354-I378 HydrophobicContact CZ-CG1 4.18Å; F354-I378 HydrophobicContact CZ-CG2 4.28Å; P373-I378 HydrophobicContact CB-CB 3.97Å; P373-I378 HydrophobicContact CB-CG2 4.17Å; P373-I378 HydrophobicContact CG-CB 3.95Å; P373-I378 HydrophobicContact CG-CG2 3.74Å; D375-I378 HydrophobicContact CB-CG1 3.99Å; D375-I378 WeakPolarHBondContact O-CB 3.39Å; D375-I378 PolarHBondContact O-N 2.85Å; R376-I378 PolarHBondContact O-N 3.25Å; I378-I400 HydrophobicContact CG2-CD1 4.48Å
379P89.4Confident86.2Confident37 Ų3739.4 Ų39.424%0.2419%0.189CC..PPolyproline II helixtrans-65.2157.5176.330.5-37000110.5P373 W403 P410P373-P379 WeakPolarHBondContact CG-O 3.21Å; P379-W403 HydrophobicContact CB-CH2 4.01Å; P379-W403 HydrophobicContact CG-CH2 3.61Å; P379-W403 HydrophobicContact CG-CZ3 3.61Å; P379-P410 HydrophobicContact CG-CG 4.12Å
380R90Very high86.4Confident13 Ų1343 Ų435%0.04921%0.211CC..PPolyproline II helixtrans-59144.1172.3-55.3179.6-164.4-176.16.5110.3D310 G312 L370 F371 Y409 P410D310-R380 IonicContact OD1-CZ 3.37Å; D310-R380 IonicContact OD1-NH2 3.2Å; D310-R380 PolarHBondContact OD1-NH2 3.27Å; D310-R380 IonicContact OD2-CZ 3.39Å; D310-R380 IonicContact OD2-NE 2.83Å; D310-R380 PolarHBondContact OD2-NE 3.13Å; D310-R380 VanDerWaalsContact OD2-NE 3.07Å; D310-R380 IonicContact OD2-NH2 2.64Å; D310-R380 PolarHBondContact OD2-NH2 3.46Å; G312-R380 VanDerWaalsContact CA-NH2 3.25Å; G312-R380 PolarHBondContact O-NH1 3.23Å; L370-R380 HydrophobicContact CD1-CB 3.77Å; L370-R380 HydrophobicContact CD2-CB 4.07Å; L370-R380 HydrophobicContact CD2-CG 4.44Å; L370-R380 HydrophobicContact CG-CB 3.85Å; F371-R380 CarbonylContact O-C 3.53Å; F371-R380 VanDerWaalsContact O-CA 3.28Å; F371-R380 WeakPolarHBondContact O-CA 3.3Å; F371-R380 WeakPolarHBondContact O-CB 3.5Å; R380-Y409 HydrophobicContact CB-CD1 3.97Å; R380-Y409 HydrophobicContact CB-CE1 3.96Å; R380-Y409 WeakPolarHBondContact O-CB 3.22Å; R380-Y409 VanDerWaalsContact O-CD1 3.3Å; R380-Y409 WeakPolarHBondContact O-CD1 3.46Å; R380-P410 VanDerWaalsContact O-CD 3.31Å; R380-P410 WeakPolarHBondContact O-CD 3.44Å
381I89.8Confident86.4Confident0 Ų041.6 Ų41.60%020%0.204CC..EExtended strand (participates in β ladder)trans-114.5131.7-172.6-52.1171000108.4F354 F371 P373 I383 V398 I400 P410F354-I381 HydrophobicContact CD2-CD1 4.26Å; F371-I381 HydrophobicContact CB-CB 4.35Å; F371-I381 WeakPolarHBondContact CB-O 3.44Å; F371-I381 HydrophobicContact CD1-CB 4.03Å; F371-I381 HydrophobicContact CD1-CD1 3.82Å; F371-I381 HydrophobicContact CD1-CG1 4.11Å; F371-I381 HydrophobicContact CE1-CD1 4.01Å; F371-I381 PolarHBondContact N-O 3.3Å; F371-I381 PolarHBondContact O-N 3.02Å; P373-I381 HydrophobicContact CG-CD1 4.25Å; P373-I381 HydrophobicContact CG-CG1 4.33Å; I381-I383 HydrophobicContact CG2-CG2 4.22Å; I381-V398 HydrophobicContact CB-CG1 4.43Å; I381-V398 HydrophobicContact CD1-CG1 4.09Å; I381-V398 HydrophobicContact CG2-CG1 4.04Å; I381-I400 HydrophobicContact CD1-CD1 3.96Å; I381-I400 HydrophobicContact CD1-CG1 3.57Å; I381-I400 HydrophobicContact CG1-CD1 4.41Å; I381-I400 HydrophobicContact CG1-CG1 4.19Å; I381-P410 HydrophobicContact CB-CG 4.41Å; I381-P410 HydrophobicContact CG1-CG 4.04Å; I381-P410 HydrophobicContact CG2-CG 4.39Å
382R87.8Confident86.2Confident59 Ų5943.7 Ų43.722%0.22322%0.222CC..EExtended strand (participates in β ladder)trans-82.4124.9172.9-178.6171.655.3174.1-3.1109.2H369 S407 P410 N411 G412H369-R382 WeakPolarHBondContact O-CA 3.23Å; R382-S407 PolarHBondContact NH2-OG 3.1Å; R382-P410 PolarHBondContact N-O 2.97Å; R382-N411 VanDerWaalsContact CZ-OD1 3.28Å; R382-N411 PolarHBondContact NE-OD1 2.91Å; R382-N411 PolarHBondContact NH2-OD1 3.23Å; R382-N411 WeakPolarHBondContact O-CA 3.41Å; R382-G412 PolarHBondContact O-N 2.72Å
383I86.1Confident85.9Confident1 Ų144.4 Ų44.41%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-122.7152177.571.7169.9000110.9L358 H369 F371 I381 T385 I396 V398 G412L358-I383 HydrophobicContact CD1-CD1 3.45Å; L358-I383 VanDerWaalsContact CD1-CD1 3.45Å; L358-I383 HydrophobicContact CD1-CG1 3.82Å; H369-I383 HydrophobicContact CB-CG1 4.29Å; H369-I383 PolarHBondContact N-O 3.18Å; H369-I383 PolarHBondContact O-N 3.39Å; F371-I383 HydrophobicContact CB-CD1 4.46Å; F371-I383 HydrophobicContact CB-CG2 4.12Å; I381-I383 HydrophobicContact CG2-CG2 4.22Å; I383-T385 HydrophobicContact CD1-CG2 4.05Å; I383-T385 HydrophobicContact CG1-CG2 4.27Å; I383-I396 HydrophobicContact CD1-CD1 4.31Å; I383-V398 HydrophobicContact CD1-CG2 4.29Å; I383-V398 HydrophobicContact CG2-CG1 3.6Å; I383-V398 HydrophobicContact CG2-CG2 4.09Å; I383-G412 WeakPolarHBondContact CA-O 3.47Å
384E81.6Confident85.9Confident68 Ų6846.8 Ų46.832%0.31824%0.244SC..EExtended strand (participates in β ladder)trans-107.7115.6173.1-65.3-168.7171.100109T367 R368T367-E384 WeakPolarHBondContact O-CA 3.37Å; R368-E384 HydrophobicContact CG-CG 3.86Å; R368-E384 IonicContact CZ-OE1 3.87Å; R368-E384 IonicContact NE-OE1 2.78Å; R368-E384 PolarHBondContact NE-OE1 3.41Å; R368-E384 IonicContact NH2-OE1 2.74Å; R368-E384 PolarHBondContact NH2-OE1 2.87Å; R368-E384 VanDerWaalsContact NH2-OE1 3.14Å
385T80.8Confident86.1Confident2 Ų246 Ų461%0.01224%0.236CC..  trans-148143.7179.3171.30000110.2D207 L358 T367 H369 I383 Q387 L391D207-T385 WeakPolarHBondContact OD2-CB 3.44Å; D207-T385 PolarHBondContact OD2-OG1 3.45Å; L358-T385 HydrophobicContact CD2-CG2 4.1Å; T367-T385 PolarHBondContact O-N 3.36Å; H369-T385 PolarHBondContact CE1-O 3.05Å; H369-T385 PolarHBondContact ND1-O 3.26Å; I383-T385 HydrophobicContact CD1-CG2 4.05Å; I383-T385 HydrophobicContact CG1-CG2 4.27Å; T385-Q387 PolarHBondContact OG1-N 2.85Å; T385-L391 HydrophobicContact CG2-CD1 4.47Å
386R80.6Confident86.4Confident212 Ų21245.2 Ų45.280%0.823%0.232SC*.SBendtrans-93.5-6.8172.1-64.7-179.3-179.2176.70.4112.8D207 T367 A388D207-R386 PolarHBondContact OD1-N 2.75Å; T367-R386 HydrophobicContact CG2-CG 4.3Å; R386-A388 VanDerWaalsContact C-N 3.33Å
387Q81.2Confident86.8Confident30 Ų3040 Ų4014%0.1421%0.213CC..  trans-9719.5-174.6-58.2-176.915.300112.9P203 E204 D207 T385 S389 T390 L391P203-Q387 PolarHBondContact O-NE2 2.97Å; E204-Q387 VanDerWaalsContact CA-NE2 3.29Å; D207-Q387 VanDerWaalsContact OD2-CG 3.24Å; D207-Q387 WeakPolarHBondContact OD2-CG 3.5Å; T385-Q387 PolarHBondContact OG1-N 2.85Å; Q387-S389 PolarHBondContact O-N 2.9Å; Q387-T390 PolarHBondContact O-N 3.16Å; Q387-L391 HydrophobicContact CB-CD1 4.1Å; Q387-L391 HydrophobicContact CB-CG 4.09Å; Q387-L391 WeakPolarHBondContact O-CG 3.39Å; Q387-L391 PolarHBondContact O-N 3.42Å
388A80.6Confident87Confident9 Ų937.5 Ų37.57%0.07420%0.203CC..Hα-helixtrans-55.9-32-172.700000113.9L358 V360 H369 R386 A392L358-A388 HydrophobicContact CD2-CB 3.95Å; V360-A388 HydrophobicContact CG1-CB 4.16Å; V360-A388 HydrophobicContact CG2-CB 4.42Å; H369-A388 WeakPolarHBondContact CE1-CB 3.32Å; H369-A388 WeakPolarHBondContact NE2-CB 3.38Å; R386-A388 VanDerWaalsContact C-N 3.33Å; A388-A392 WeakPolarHBondContact O-CB 3.41Å; A388-A392 PolarHBondContact O-N 3.28Å; A388-A392 VanDerWaalsContact O-N 3.08Å
389S83.2Confident87Confident105 Ų10537.6 Ų37.673%0.73421%0.205SC*.Hα-helixtrans-68.5-35.3175.252.50000113.6Q387Q387-S389 PolarHBondContact O-N 2.9Å
390T86.3Confident87.1Confident85 Ų8536.4 Ų36.452%0.52120%0.197SC..Hα-helixtrans-80-39.4179.6-49.20000111.3Q387 A392Q387-T390 PolarHBondContact O-N 3.16Å; T390-A392 VanDerWaalsContact C-N 3.27Å; T390-A392 PolarHBondContact O-N 2.95Å
391L86.1Confident86.8Confident3 Ų337.9 Ų37.92%0.01621%0.206CC..Hα-helixtrans-77.9-13.7-179.5-58.8179.1000112.6L358 T385 Q387 G393 Q394 I396 F414L358-L391 HydrophobicContact CD2-CB 4.07Å; T385-L391 HydrophobicContact CG2-CD1 4.47Å; Q387-L391 HydrophobicContact CB-CD1 4.1Å; Q387-L391 HydrophobicContact CB-CG 4.09Å; Q387-L391 WeakPolarHBondContact O-CG 3.39Å; Q387-L391 PolarHBondContact O-N 3.42Å; L391-G393 PolarHBondContact O-N 2.86Å; L391-Q394 PolarHBondContact O-N 3.32Å; L391-Q394 VanDerWaalsContact O-N 3.13Å; L391-I396 HydrophobicContact CB-CG2 4.35Å; L391-I396 HydrophobicContact CD2-CG2 4.01Å; L391-F414 HydrophobicContact CD1-CD2 4.13Å; L391-F414 HydrophobicContact CD1-CE2 4.08Å; L391-F414 HydrophobicContact CD2-CE2 3.9Å; L391-F414 HydrophobicContact CD2-CZ 4.08Å
392A86.1Confident86.6Confident45 Ų4538.7 Ų38.737%0.37221%0.214SC..THydrogen-bonded Turntrans-60127175.100000110.8V360 A388 T390 Q394V360-A392 HydrophobicContact CG2-CB 3.93Å; A388-A392 WeakPolarHBondContact O-CB 3.41Å; A388-A392 PolarHBondContact O-N 3.28Å; A388-A392 VanDerWaalsContact O-N 3.08Å; T390-A392 VanDerWaalsContact C-N 3.27Å; T390-A392 PolarHBondContact O-N 2.95Å; A392-Q394 PolarHBondContact O-N 3.49Å
393G85.4Confident86.7Confident37 Ų3737.7 Ų37.738%0.38121%0.21SC..THydrogen-bonded Turntrans78-2-178.900000114.9L391 A421L391-G393 PolarHBondContact O-N 2.86Å; G393-A421 WeakPolarHBondContact O-CB 3.27Å; G393-A421 PolarHBondContact O-N 3.45Å
394Q91.2Very high86.6Confident53 Ų5339.5 Ų39.525%0.24822%0.222CC..EExtended strand (participates in β ladder)trans-93153173.2-63.4-170.3-17.400111.8L391 A392 I396 S417 G419L391-Q394 PolarHBondContact O-N 3.32Å; L391-Q394 VanDerWaalsContact O-N 3.13Å; A392-Q394 PolarHBondContact O-N 3.49Å; Q394-I396 HydrophobicContact CB-CG2 4.29Å; Q394-S417 PolarHBondContact OE1-OG 2.92Å; Q394-G419 CarbonylContact C-O 3.6Å; Q394-G419 VanDerWaalsContact CA-O 3.27Å; Q394-G419 WeakPolarHBondContact CA-O 3.38Å; Q394-G419 WeakPolarHBondContact CB-O 3.39Å
395R93Very high86.7Confident8 Ų840.1 Ų40.13%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-81.4122.6165-66.6-67.2-165.9173.44.1108.1G356 L418 G419 A421 T426 E427 V430 Q917G356-R395 WeakPolarHBondContact O-CA 3.43Å; R395-L418 HydrophobicContact CB-CB 4.13Å; R395-L418 HydrophobicContact CB-CD1 4.29Å; R395-L418 WeakPolarHBondContact O-CB 3.24Å; R395-L418 PolarHBondContact O-N 3.41Å; R395-G419 PolarHBondContact N-O 3.08Å; R395-A421 HydrophobicContact CG-CB 4.3Å; R395-T426 HydrophobicContact CB-CG2 3.69Å; R395-T426 HydrophobicContact CG-CG2 3.71Å; R395-E427 IonicContact CZ-OE1 3.45Å; R395-E427 VanDerWaalsContact CZ-OE1 3.31Å; R395-E427 IonicContact CZ-OE2 3.52Å; R395-E427 IonicContact NE-OE1 3.56Å; R395-E427 PolarHBondContact NE-OE1 3.5Å; R395-E427 IonicContact NE-OE2 2.66Å; R395-E427 PolarHBondContact NE-OE2 3.31Å; R395-E427 VanDerWaalsContact NH2-CD 3.33Å; R395-E427 IonicContact NH2-OE1 3.1Å; R395-E427 PolarHBondContact NH2-OE1 2.96Å; R395-E427 IonicContact NH2-OE2 3.83Å; R395-E427 PolarHBondContact NH2-OE2 2.98Å; R395-V430 HydrophobicContact CB-CG2 3.81Å; R395-V430 HydrophobicContact CG-CG2 3.91Å; R395-Q917 PolarHBondContact NH2-O 3.45Å
396I93.4Very high86.6Confident0 Ų042.6 Ų42.60%024%0.237CC..EExtended strand (participates in β ladder)trans-125.9159.1-178.868.9177000110.9C355 G356 L358 F371 I383 L391 Q394 V398 F414C355-I396 CarbonylContact C-O 3.49Å; C355-I396 WeakPolarHBondContact CA-O 3.45Å; G356-I396 PolarHBondContact N-O 3.32Å; G356-I396 PolarHBondContact O-N 3.06Å; L358-I396 HydrophobicContact CB-CD1 4.08Å; F371-I396 HydrophobicContact CD2-CD1 3.92Å; F371-I396 HydrophobicContact CD2-CG1 3.84Å; F371-I396 HydrophobicContact CE2-CD1 4.21Å; F371-I396 HydrophobicContact CE2-CG1 3.6Å; I383-I396 HydrophobicContact CD1-CD1 4.31Å; L391-I396 HydrophobicContact CB-CG2 4.35Å; L391-I396 HydrophobicContact CD2-CG2 4.01Å; Q394-I396 HydrophobicContact CB-CG2 4.29Å; I396-V398 HydrophobicContact CD1-CG2 4.27Å; I396-V398 HydrophobicContact CG1-CG2 4.4Å; I396-F414 HydrophobicContact CB-CD2 4.13Å; I396-F414 HydrophobicContact CB-CE2 3.85Å; I396-F414 HydrophobicContact CD1-CD2 4.22Å; I396-F414 HydrophobicContact CG2-CE2 3.92Å
397M92.9Very high86.6Confident10 Ų1033.2 Ų33.25%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-108134.1175.5-172-178.9-67.200110.2P353 F354 V415 R416 L418 L433P353-M397 HydrophobicContact CB-CG 3.58Å; P353-M397 HydrophobicContact CB-SD 3.5Å; P353-M397 VanDerWaalsContact CB-SD 3.5Å; P353-M397 HydrophobicContact CG-SD 4.07Å; F354-M397 CarbonylContact O-C 3.53Å; F354-M397 WeakPolarHBondContact O-CA 3.45Å; M397-V415 HydrophobicContact CB-CB 4.21Å; M397-V415 HydrophobicContact CG-CB 4.09Å; M397-V415 HydrophobicContact CG-CG2 4.49Å; M397-V415 PolarHBondContact O-N 2.88Å; M397-V415 HydrophobicContact SD-CB 4.27Å; M397-V415 HydrophobicContact SD-CG1 4.03Å; M397-R416 HydrophobicContact CB-CG 4.11Å; M397-R416 HydrophobicContact CE-CG 4.5Å; M397-R416 PolarHBondContact N-O 3.42Å; M397-R416 HydrophobicContact SD-CG 4.35Å; M397-L418 HydrophobicContact CE-CD2 4.41Å; M397-L433 HydrophobicContact CE-CD1 3.49Å; M397-L433 VanDerWaalsContact CE-CD1 3.49Å; M397-L433 HydrophobicContact CE-CD2 3.72Å; M397-L433 HydrophobicContact CE-CG 4.09Å
398V92.1Very high86.6Confident0 Ų035.8 Ų35.80%021%0.213CC..EExtended strand (participates in β ladder)trans-132.3138-179.2170.10000109.7F354 F371 I381 I383 I396 H413F354-V398 PolarHBondContact N-O 3.31Å; F354-V398 PolarHBondContact O-N 2.91Å; F371-V398 HydrophobicContact CB-CG2 4.31Å; F371-V398 HydrophobicContact CD1-CB 3.94Å; F371-V398 HydrophobicContact CD1-CG1 4.19Å; F371-V398 HydrophobicContact CD1-CG2 4.05Å; F371-V398 HydrophobicContact CD2-CB 4.32Å; F371-V398 HydrophobicContact CD2-CG2 3.58Å; F371-V398 HydrophobicContact CE1-CB 3.82Å; F371-V398 HydrophobicContact CE1-CG1 4.44Å; F371-V398 HydrophobicContact CE1-CG2 4.16Å; F371-V398 HydrophobicContact CE2-CB 4.2Å; F371-V398 HydrophobicContact CE2-CG2 3.7Å; F371-V398 HydrophobicContact CG-CB 4.15Å; F371-V398 HydrophobicContact CG-CG1 4.47Å; F371-V398 HydrophobicContact CG-CG2 3.72Å; F371-V398 HydrophobicContact CZ-CB 3.92Å; F371-V398 HydrophobicContact CZ-CG2 3.96Å; I381-V398 HydrophobicContact CB-CG1 4.43Å; I381-V398 HydrophobicContact CD1-CG1 4.09Å; I381-V398 HydrophobicContact CG2-CG1 4.04Å; I383-V398 HydrophobicContact CD1-CG2 4.29Å; I383-V398 HydrophobicContact CG2-CG1 3.6Å; I383-V398 HydrophobicContact CG2-CG2 4.09Å; I396-V398 HydrophobicContact CD1-CG2 4.27Å; I396-V398 HydrophobicContact CG1-CG2 4.4Å; V398-H413 VanDerWaalsContact CA-O 3.3Å; V398-H413 WeakPolarHBondContact CA-O 3.5Å; V398-H413 WeakPolarHBondContact CG1-O 3.49Å
399A90.2Very high86.9Confident12 Ų1237.8 Ų37.810%0.09922%0.219CC..EExtended strand (participates in β ladder)trans-105.1143.2172.500000110.6G412 H413 V415A399-G412 CarbonylContact O-C 3.5Å; A399-G412 WeakPolarHBondContact O-CA 3.46Å; A399-H413 PolarHBondContact N-O 2.94Å; A399-H413 PolarHBondContact O-N 3.42Å; A399-V415 HydrophobicContact CB-CG2 3.88Å
400I90.6Very high87.2Confident12 Ų1232.8 Ų32.86%0.06218%0.184CC..EExtended strand (participates in β ladder)trans-85129.5176.3-62.2176.7000109.1W351 F354 I378 I381 P410W351-I400 HydrophobicContact CD2-CB 4.09Å; W351-I400 HydrophobicContact CD2-CG2 3.98Å; W351-I400 HydrophobicContact CE3-CB 4.04Å; W351-I400 HydrophobicContact CE3-CG2 3.86Å; W351-I400 HydrophobicContact CH2-CG2 3.82Å; W351-I400 HydrophobicContact CZ2-CG2 3.92Å; W351-I400 HydrophobicContact CZ3-CB 4.43Å; W351-I400 HydrophobicContact CZ3-CG2 3.79Å; F354-I400 HydrophobicContact CD2-CD1 4.12Å; F354-I400 HydrophobicContact CD2-CG1 4.21Å; F354-I400 HydrophobicContact CE2-CD1 3.63Å; F354-I400 HydrophobicContact CE2-CG1 4.05Å; I378-I400 HydrophobicContact CG2-CD1 4.48Å; I381-I400 HydrophobicContact CD1-CD1 3.96Å; I381-I400 HydrophobicContact CD1-CG1 3.57Å; I381-I400 HydrophobicContact CG1-CD1 4.41Å; I381-I400 HydrophobicContact CG1-CG1 4.19Å; I400-P410 HydrophobicContact CD1-CG 4.48Å; I400-P410 HydrophobicContact CG2-CB 3.98Å
401D84.8Confident87.2Confident45 Ų4530.4 Ų30.424%0.24117%0.167CC..EExtended strand (participates in β ladder)trans-95.8-39.3178.5-63.7-26.8000111.9L211 W351 N411 H413L211-D401 PolarHBondContact N-OD2 3.45Å; W351-D401 WeakPolarHBondContact CZ3-O 3.42Å; D401-N411 PolarHBondContact N-O 3.35Å; D401-H413 IonicContact OD1-CE1 2.88Å; D401-H413 PolarHBondContact OD1-CE1 2.87Å; D401-H413 VanDerWaalsContact OD1-CE1 3.27Å; D401-H413 IonicContact OD1-CG 2.96Å; D401-H413 IonicContact OD1-ND1 3.73Å; D401-H413 PolarHBondContact OD1-ND1 3.42Å; D401-H413 IonicContact OD2-ND1 3.77Å; D401-H413 PolarHBondContact OD2-ND1 2.79Å
402G85.6Confident87.4Confident17 Ų1730.3 Ų30.318%0.17517%0.168CC..EExtended strand (participates in β ladder)trans-175.6159.2-17000000112.7N411G402-N411 PolarHBondContact N-O 2.88Å; G402-N411 PolarHBondContact O-N 3.49Å
403W90Very high87.4Confident37 Ų3728.5 Ų28.514%0.1415%0.151CC..  trans-130101.1172.9-161.6-21.9000110F226 R283 V285 P379 S407 R408 P410F226-W403 HydrophobicContact CE2-CZ2 4.27Å; F226-W403 AromaticContact CE2-NE1 3.78Å; F226-W403 AromaticContact CZ-CZ2 4Å; F226-W403 HydrophobicContact CZ-CZ2 4Å; R283-W403 HydrophobicContact CB-CB 4.29Å; R283-W403 HydrophobicContact CB-CD2 3.78Å; R283-W403 HydrophobicContact CB-CE3 3.93Å; R283-W403 HydrophobicContact CB-CG 3.94Å; R283-W403 HydrophobicContact CB-CZ3 4.5Å; R283-W403 WeakPolarHBondContact CD-O 3.45Å; R283-W403 HydrophobicContact CG-CD2 3.94Å; R283-W403 HydrophobicContact CG-CG 3.91Å; R283-W403 PolarHBondContact NE-O 3.46Å; V285-W403 HydrophobicContact CG2-CE3 4.42Å; V285-W403 HydrophobicContact CG2-CZ3 4.31Å; P379-W403 HydrophobicContact CB-CH2 4.01Å; P379-W403 HydrophobicContact CG-CH2 3.61Å; P379-W403 HydrophobicContact CG-CZ3 3.61Å; W403-S407 PolarHBondContact NE1-O 2.97Å; W403-R408 WeakPolarHBondContact CZ2-O 3.42Å; W403-P410 HydrophobicContact CB-CB 4.17Å; W403-P410 HydrophobicContact CD2-CB 3.96Å; W403-P410 HydrophobicContact CD2-CG 4.35Å; W403-P410 HydrophobicContact CE3-CB 4.06Å; W403-P410 HydrophobicContact CE3-CG 4.24Å; W403-P410 HydrophobicContact CG-CB 4.03Å
404P83.9Confident87.5Confident39 Ų3927.1 Ų27.125%0.25314%0.135SC..  trans-76.5159-177.735.7-37.6000111.3D406P404-D406 VanDerWaalsContact C-N 3.31Å; P404-D406 WeakPolarHBondContact CB-OD1 3.18Å; P404-D406 PolarHBondContact O-N 2.98Å
405K82.1Confident87.3Confident82 Ų8226 Ų2636%0.35713%0.132SC..THydrogen-bonded Turntrans-74.9-20.4-169.667.2-178.3-178.3-178.60114.6V224 L225 F226 E228V224-K405 HydrophobicContact CG1-CD 4.32Å; V224-K405 HydrophobicContact CG1-CG 4.44Å; L225-K405 PolarHBondContact N-O 2.97Å; F226-K405 PolarHBondContact N-O 2.93Å; E228-K405 HydrophobicContact CG-CD 4.27Å; E228-K405 IonicContact OE1-NZ 3.92Å; E228-K405 PolarHBondContact OE1-NZ 3.41Å
406D80.4Confident87Confident54 Ų5429.7 Ų29.729%0.28915%0.146SC..THydrogen-bonded Turntrans-95.9-6.2-176.359.6-54.3000112.9P404P404-D406 VanDerWaalsContact C-N 3.31Å; P404-D406 WeakPolarHBondContact CB-OD1 3.18Å; P404-D406 PolarHBondContact O-N 2.98Å
407S79.9Confident86.9Confident15 Ų1531.9 Ų31.911%0.10516%0.161CC..  trans-113.1133.7179.2-165.30000112.3F226 R382 W403 Y409F226-S407 VanDerWaalsContact CE2-O 3.31Å; F226-S407 WeakPolarHBondContact CE2-O 3.47Å; R382-S407 PolarHBondContact NH2-OG 3.1Å; W403-S407 PolarHBondContact NE1-O 2.97Å; S407-Y409 PolarHBondContact O-N 3.32Å; S407-Y409 PolarHBondContact OG-N 2.9Å; S407-Y409 PolarHBondContact OG-O 3.28Å; S407-Y409 VanDerWaalsContact OG-O 3.11Å
408R81.2Confident86.7Confident84 Ų8432.5 Ų32.532%0.31716%0.164SC..SBendtrans-63-28.5171.6-173.3176.5-179.4174.34112.8L225 W403L225-R408 HydrophobicContact CD1-CB 4.25Å; W403-R408 WeakPolarHBondContact CZ2-O 3.42Å
409Y85.8Confident86.7Confident51 Ų5133.3 Ų33.320%0.217%0.173CC..SBendtrans-116.4144.5-175.7-59.1-63.5000111.4L370 R380 S407L370-Y409 HydrophobicContact CD1-CD1 4.41Å; L370-Y409 HydrophobicContact CD1-CD2 3.95Å; L370-Y409 HydrophobicContact CD1-CE2 4.29Å; L370-Y409 HydrophobicContact CD1-CG 4.02Å; L370-Y409 HydrophobicContact CD2-CE2 4.46Å; R380-Y409 HydrophobicContact CB-CD1 3.97Å; R380-Y409 HydrophobicContact CB-CE1 3.96Å; R380-Y409 WeakPolarHBondContact O-CB 3.22Å; R380-Y409 VanDerWaalsContact O-CD1 3.3Å; R380-Y409 WeakPolarHBondContact O-CD1 3.46Å; S407-Y409 PolarHBondContact O-N 3.32Å; S407-Y409 PolarHBondContact OG-N 2.9Å; S407-Y409 PolarHBondContact OG-O 3.28Å; S407-Y409 VanDerWaalsContact OG-O 3.11Å
410P90Very high86.7Confident0 Ų034.6 Ų34.60%018%0.183CC..  trans-64153.7169.227.4-36000111.8P379 R380 I381 R382 I400 W403P379-P410 HydrophobicContact CG-CG 4.12Å; R380-P410 VanDerWaalsContact O-CD 3.31Å; R380-P410 WeakPolarHBondContact O-CD 3.44Å; I381-P410 HydrophobicContact CB-CG 4.41Å; I381-P410 HydrophobicContact CG1-CG 4.04Å; I381-P410 HydrophobicContact CG2-CG 4.39Å; R382-P410 PolarHBondContact N-O 2.97Å; I400-P410 HydrophobicContact CD1-CG 4.48Å; I400-P410 HydrophobicContact CG2-CB 3.98Å; W403-P410 HydrophobicContact CB-CB 4.17Å; W403-P410 HydrophobicContact CD2-CB 3.96Å; W403-P410 HydrophobicContact CD2-CG 4.35Å; W403-P410 HydrophobicContact CE3-CB 4.06Å; W403-P410 HydrophobicContact CE3-CG 4.24Å; W403-P410 HydrophobicContact CG-CB 4.03Å
411N87.3Confident86.6Confident34 Ų3435.2 Ų35.218%0.18219%0.19CC..EExtended strand (participates in β ladder)trans-90.7143.6168.2-66.3-18.3000109.7L211 R382 D401 G402L211-N411 HydrophobicContact CD1-CB 4.33Å; R382-N411 VanDerWaalsContact CZ-OD1 3.28Å; R382-N411 PolarHBondContact NE-OD1 2.91Å; R382-N411 PolarHBondContact NH2-OD1 3.23Å; R382-N411 WeakPolarHBondContact O-CA 3.41Å; D401-N411 PolarHBondContact N-O 3.35Å; G402-N411 PolarHBondContact N-O 2.88Å; G402-N411 PolarHBondContact O-N 3.49Å
412G89.1Confident86.5Confident2 Ų234.9 Ų34.92%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-153.1175.1173.900000112.5R382 I383 A399R382-G412 PolarHBondContact O-N 2.72Å; I383-G412 WeakPolarHBondContact CA-O 3.47Å; A399-G412 CarbonylContact O-C 3.5Å; A399-G412 WeakPolarHBondContact O-CA 3.46Å
413H85.9Confident86.6Confident6 Ų639.2 Ų39.23%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-124.3155.517967.5-85.8000111.3D75 C208 L209 V398 A399 D401D75-H413 IonicContact OD2-CE1 3.14Å; D75-H413 IonicContact OD2-NE2 3.37Å; C208-H413 PolarHBondContact O-CD2 3.31Å; L209-H413 WeakPolarHBondContact O-CB 3.2Å; V398-H413 VanDerWaalsContact CA-O 3.3Å; V398-H413 WeakPolarHBondContact CA-O 3.5Å; V398-H413 WeakPolarHBondContact CG1-O 3.49Å; A399-H413 PolarHBondContact N-O 2.94Å; A399-H413 PolarHBondContact O-N 3.42Å; D401-H413 IonicContact OD1-CE1 2.88Å; D401-H413 PolarHBondContact OD1-CE1 2.87Å; D401-H413 VanDerWaalsContact OD1-CE1 3.27Å; D401-H413 IonicContact OD1-CG 2.96Å; D401-H413 IonicContact OD1-ND1 3.73Å; D401-H413 PolarHBondContact OD1-ND1 3.42Å; D401-H413 IonicContact OD2-ND1 3.77Å; D401-H413 PolarHBondContact OD2-ND1 2.79Å
414F88.6Confident86.4Confident8 Ų839.6 Ų39.64%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-72142.9176.7168.1-99.7000109.9D207 C208 L391 I396 R416 S417D207-F414 HydrophobicContact CB-CB 4.27Å; D207-F414 HydrophobicContact CB-CD1 4.13Å; D207-F414 PolarHBondContact O-N 3.37Å; C208-F414 WeakPolarHBondContact CA-O 3.42Å; C208-F414 PolarHBondContact SG-O 3.47Å; C208-F414 VanDerWaalsContact SG-O 3.35Å; L391-F414 HydrophobicContact CD1-CD2 4.13Å; L391-F414 HydrophobicContact CD1-CE2 4.08Å; L391-F414 HydrophobicContact CD2-CE2 3.9Å; L391-F414 HydrophobicContact CD2-CZ 4.08Å; I396-F414 HydrophobicContact CB-CD2 4.13Å; I396-F414 HydrophobicContact CB-CE2 3.85Å; I396-F414 HydrophobicContact CD1-CD2 4.22Å; I396-F414 HydrophobicContact CG2-CE2 3.92Å; F414-R416 WeakPolarHBondContact CE2-O 3.44Å; F414-S417 VanDerWaalsContact CZ-N 3.26Å
415V86.3Confident86.6Confident31 Ų3143.7 Ų43.719%0.18824%0.235CC..EExtended strand (participates in β ladder)trans-110.8-53.2178.8178.70000110.5C208 M397 A399C208-V415 PolarHBondContact SG-O 3.27Å; M397-V415 HydrophobicContact CB-CB 4.21Å; M397-V415 HydrophobicContact CG-CB 4.09Å; M397-V415 HydrophobicContact CG-CG2 4.49Å; M397-V415 PolarHBondContact O-N 2.88Å; M397-V415 HydrophobicContact SD-CB 4.27Å; M397-V415 HydrophobicContact SD-CG1 4.03Å; A399-V415 HydrophobicContact CB-CG2 3.88Å
416R87.3Confident87.1Confident85 Ų8540 Ų4032%0.32122%0.22SC..EExtended strand (participates in β ladder)trans-164.1158.1177.865.2-176.8-175.8107.4-3.7112.2M397 F414 L418 E429M397-R416 HydrophobicContact CB-CG 4.11Å; M397-R416 HydrophobicContact CE-CG 4.5Å; M397-R416 PolarHBondContact N-O 3.42Å; M397-R416 HydrophobicContact SD-CG 4.35Å; F414-R416 WeakPolarHBondContact CE2-O 3.44Å; R416-L418 HydrophobicContact CG-CD2 4.49Å; R416-E429 IonicContact CZ-OE1 3.43Å; R416-E429 IonicContact NH1-OE1 3.3Å; R416-E429 PolarHBondContact NH1-OE1 3.18Å; R416-E429 IonicContact NH2-OE1 3.42Å; R416-E429 PolarHBondContact NH2-OE1 3.22Å
417S90.1Very high87.6Confident46 Ų4638.6 Ų38.632%0.32221%0.211SC..EExtended strand (participates in β ladder)trans-88.9143.1168.1-169.40000110.2Q394 F414Q394-S417 PolarHBondContact OE1-OG 2.92Å; F414-S417 VanDerWaalsContact CZ-N 3.26Å
418L90.5Very high88.1Confident23 Ų2338.2 Ų38.212%0.1221%0.208CC..EExtended strand (participates in β ladder)trans-102.4-37.3-179.6-58.5171.2000111.5C355 R395 M397 R416 T426 V430 L433C355-L418 HydrophobicContact CB-CD1 4.3Å; R395-L418 HydrophobicContact CB-CB 4.13Å; R395-L418 HydrophobicContact CB-CD1 4.29Å; R395-L418 WeakPolarHBondContact O-CB 3.24Å; R395-L418 PolarHBondContact O-N 3.41Å; M397-L418 HydrophobicContact CE-CD2 4.41Å; R416-L418 HydrophobicContact CG-CD2 4.49Å; L418-T426 HydrophobicContact CB-CG2 4.15Å; L418-V430 HydrophobicContact CD1-CG2 3.45Å; L418-V430 VanDerWaalsContact CD1-CG2 3.45Å; L418-L433 HydrophobicContact CD1-CD1 4Å; L418-L433 HydrophobicContact CD2-CD1 3.74Å
419G91.5Very high88.7Confident17 Ų1736.6 Ų36.618%0.17520%0.204CC..EExtended strand (participates in β ladder)trans148.2-172.6-177.300000112.7Q394 R395Q394-G419 CarbonylContact C-O 3.6Å; Q394-G419 VanDerWaalsContact CA-O 3.27Å; Q394-G419 WeakPolarHBondContact CA-O 3.38Å; Q394-G419 WeakPolarHBondContact CB-O 3.39Å; R395-G419 PolarHBondContact N-O 3.08Å
420A90.1Very high89Confident38 Ų3834.5 Ų34.531%0.31420%0.196SC..EExtended strand (participates in β ladder)trans-75.7141.3-178.500000111.8G422 E423A420-G422 PolarHBondContact O-N 3.3Å; A420-E423 HydrophobicContact CB-CG 4.15Å; A420-E423 PolarHBondContact N-OE2 3.4Å; A420-E423 PolarHBondContact O-N 3Å
421A87.4Confident89.1Confident26 Ų2635.2 Ų35.222%0.21520%0.2CC..THydrogen-bonded Turntrans-65133.9177.900000111.4M357 G393 R395 I916M357-A421 HydrophobicContact CE-CB 3.83Å; M357-A421 HydrophobicContact SD-CB 3.98Å; G393-A421 WeakPolarHBondContact O-CB 3.27Å; G393-A421 PolarHBondContact O-N 3.45Å; R395-A421 HydrophobicContact CG-CB 4.3Å; A421-I916 HydrophobicContact CB-CG2 3.62Å
422G82.7Confident89.4Confident37 Ų3733.7 Ų33.738%0.38119%0.192SC..THydrogen-bonded Turntrans89.4-8-176.700000115.7A420 E427A420-G422 PolarHBondContact O-N 3.3Å; G422-E427 PolarHBondContact N-OE1 3.1Å; G422-E427 VanDerWaalsContact N-OE1 3.1Å
423E87.8Confident89.5Confident109 Ų10935.3 Ų35.351%0.50920%0.2SC..  trans-70.3136.7166.2-72.9-179.8161.300110.4A420 D425 T426 E427A420-E423 HydrophobicContact CB-CG 4.15Å; A420-E423 PolarHBondContact N-OE2 3.4Å; A420-E423 PolarHBondContact O-N 3Å; E423-D425 PolarHBondContact O-N 3.47Å; E423-T426 PolarHBondContact O-N 2.99Å; E423-T426 PolarHBondContact OE2-OG1 3.14Å; E423-E427 WeakPolarHBondContact O-CG 3.46Å; E423-E427 PolarHBondContact O-N 3.49Å
424K86.1Confident89.8Confident45 Ų4536.1 Ų36.120%0.19620%0.204CC..Hα-helixtrans-59.1-51.3-174.9-178-179178.6-176.30112.4T426 E427 E428 M639 H644 F832 H833K424-T426 VanDerWaalsContact C-N 3.3Å; K424-T426 PolarHBondContact O-N 3.06Å; K424-E427 PolarHBondContact O-N 2.99Å; K424-E428 VanDerWaalsContact CE-OE1 3.22Å; K424-E428 WeakPolarHBondContact CE-OE1 3.37Å; K424-E428 WeakPolarHBondContact O-CB 3.22Å; K424-E428 WeakPolarHBondContact O-CG 3.47Å; K424-E428 PolarHBondContact O-N 3.3Å; K424-M639 VanDerWaalsContact NZ-CE 3.3Å; K424-H644 PolarHBondContact NZ-O 2.92Å; K424-F832 HydrophobicContact CG-CE1 4.22Å; K424-H833 WeakPolarHBondContact CE-NE2 3.22Å
425D89.5Confident89.9Confident124 Ų12437 Ų3766%0.66321%0.208SC*.Hα-helixtrans-62.7-39.8-177.8-66-29.3000111.4E423 E428 E429E423-D425 PolarHBondContact O-N 3.47Å; D425-E428 PolarHBondContact O-N 2.89Å; D425-E429 WeakPolarHBondContact O-CB 3.45Å; D425-E429 PolarHBondContact O-N 3.08Å
426T91.9Very high90.2Very high6 Ų638.7 Ų38.74%0.03722%0.216CC..Hα-helixtrans-63-49.3176.4-57.60000111.7R395 L418 E423 K424 E428 E429 V430R395-T426 HydrophobicContact CB-CG2 3.69Å; R395-T426 HydrophobicContact CG-CG2 3.71Å; L418-T426 HydrophobicContact CB-CG2 4.15Å; E423-T426 PolarHBondContact O-N 2.99Å; E423-T426 PolarHBondContact OE2-OG1 3.14Å; K424-T426 VanDerWaalsContact C-N 3.3Å; K424-T426 PolarHBondContact O-N 3.06Å; T426-E428 VanDerWaalsContact C-N 3.34Å; T426-E428 PolarHBondContact O-N 2.68Å; T426-E429 PolarHBondContact O-N 3.49Å; T426-V430 VanDerWaalsContact O-CG2 3.24Å; T426-V430 WeakPolarHBondContact O-CG2 3.45Å; T426-V430 PolarHBondContact O-N 3.18Å
427E91Very high90.5Very high23 Ų2335.1 Ų35.111%0.10720%0.204CC..Hα-helixtrans-68.4-33.4179.9-64.7-66.215700112.1R395 G422 E423 K424 L431 F832R395-E427 IonicContact CZ-OE1 3.45Å; R395-E427 VanDerWaalsContact CZ-OE1 3.31Å; R395-E427 IonicContact CZ-OE2 3.52Å; R395-E427 IonicContact NE-OE1 3.56Å; R395-E427 PolarHBondContact NE-OE1 3.5Å; R395-E427 IonicContact NE-OE2 2.66Å; R395-E427 PolarHBondContact NE-OE2 3.31Å; R395-E427 VanDerWaalsContact NH2-CD 3.33Å; R395-E427 IonicContact NH2-OE1 3.1Å; R395-E427 PolarHBondContact NH2-OE1 2.96Å; R395-E427 IonicContact NH2-OE2 3.83Å; R395-E427 PolarHBondContact NH2-OE2 2.98Å; G422-E427 PolarHBondContact N-OE1 3.1Å; G422-E427 VanDerWaalsContact N-OE1 3.1Å; E423-E427 WeakPolarHBondContact O-CG 3.46Å; E423-E427 PolarHBondContact O-N 3.49Å; K424-E427 PolarHBondContact O-N 2.99Å; E427-L431 WeakPolarHBondContact O-CG 3.39Å; E427-L431 PolarHBondContact O-N 3.27Å; E427-F832 HydrophobicContact CB-CD2 4.21Å; E427-F832 HydrophobicContact CB-CE1 4.1Å; E427-F832 HydrophobicContact CB-CE2 3.76Å; E427-F832 HydrophobicContact CB-CZ 3.7Å; E427-F832 HydrophobicContact CG-CD2 4.42Å; E427-F832 HydrophobicContact CG-CE2 3.71Å; E427-F832 HydrophobicContact CG-CZ 3.91Å
428E91.1Very high90.6Very high8 Ų834.2 Ų34.24%0.03720%0.197CC..Hα-helixtrans-66.7-38.7171.6-75.8-170.8-174.900112.5K424 D425 T426 L431 L432 H833K424-E428 VanDerWaalsContact CE-OE1 3.22Å; K424-E428 WeakPolarHBondContact CE-OE1 3.37Å; K424-E428 WeakPolarHBondContact O-CB 3.22Å; K424-E428 WeakPolarHBondContact O-CG 3.47Å; K424-E428 PolarHBondContact O-N 3.3Å; D425-E428 PolarHBondContact O-N 2.89Å; T426-E428 VanDerWaalsContact C-N 3.34Å; T426-E428 PolarHBondContact O-N 2.68Å; E428-L431 HydrophobicContact CG-CD2 4.5Å; E428-L431 WeakPolarHBondContact O-CG 3.47Å; E428-L432 WeakPolarHBondContact O-CD1 3.29Å; E428-L432 WeakPolarHBondContact O-CG 3.4Å; E428-L432 PolarHBondContact O-N 3.26Å; E428-L432 VanDerWaalsContact O-N 3.16Å; E428-H833 IonicContact OE1-CE1 3.85Å; E428-H833 PolarHBondContact OE1-CE1 3.39Å; E428-H833 IonicContact OE1-NE2 2.87Å
429E92.5Very high90.7Very high49 Ų4935.6 Ų35.623%0.22920%0.202CC..Hα-helixtrans-67.9-44.3174.3-161.7-175.8159.700111.2R416 D425 T426 L431 L432 L433 H439R416-E429 IonicContact CZ-OE1 3.43Å; R416-E429 IonicContact NH1-OE1 3.3Å; R416-E429 PolarHBondContact NH1-OE1 3.18Å; R416-E429 IonicContact NH2-OE1 3.42Å; R416-E429 PolarHBondContact NH2-OE1 3.22Å; D425-E429 WeakPolarHBondContact O-CB 3.45Å; D425-E429 PolarHBondContact O-N 3.08Å; T426-E429 PolarHBondContact O-N 3.49Å; E429-L431 PolarHBondContact O-N 2.94Å; E429-L432 PolarHBondContact O-N 2.79Å; E429-L432 VanDerWaalsContact O-N 3.15Å; E429-L433 HydrophobicContact CG-CD1 3.92Å; E429-L433 HydrophobicContact CG-CG 4.48Å; E429-L433 WeakPolarHBondContact O-CD1 3.44Å; E429-L433 VanDerWaalsContact O-CG 3.29Å; E429-L433 WeakPolarHBondContact O-CG 3.48Å; E429-L433 PolarHBondContact O-N 2.98Å; E429-H439 IonicContact OE1-NE2 3.62Å
430V92.7Very high90.6Very high7 Ų742.3 Ų42.34%0.04223%0.229CC..Hα-helixtrans-55.7-48.5175.9168.50000111.2C355 R395 L418 T426 L432 L433 E434C355-V430 HydrophobicContact CB-CG1 3.85Å; C355-V430 HydrophobicContact CB-CG2 4.37Å; R395-V430 HydrophobicContact CB-CG2 3.81Å; R395-V430 HydrophobicContact CG-CG2 3.91Å; L418-V430 HydrophobicContact CD1-CG2 3.45Å; L418-V430 VanDerWaalsContact CD1-CG2 3.45Å; T426-V430 VanDerWaalsContact O-CG2 3.24Å; T426-V430 WeakPolarHBondContact O-CG2 3.45Å; T426-V430 PolarHBondContact O-N 3.18Å; V430-L432 VanDerWaalsContact C-N 3.3Å; V430-L432 PolarHBondContact O-N 2.81Å; V430-L433 PolarHBondContact O-N 2.84Å; V430-E434 HydrophobicContact CG1-CG 4.4Å; V430-E434 WeakPolarHBondContact O-CB 3.34Å; V430-E434 WeakPolarHBondContact O-CG 3.29Å; V430-E434 PolarHBondContact O-N 2.85Å
431L91.6Very high90.6Very high15 Ų1545 Ų458%0.07925%0.251CS..Hα-helixtrans-66.8-32.9-179.873.883.8000112E427 E428 E429 H435 L530 A825E427-L431 WeakPolarHBondContact O-CG 3.39Å; E427-L431 PolarHBondContact O-N 3.27Å; E428-L431 HydrophobicContact CG-CD2 4.5Å; E428-L431 WeakPolarHBondContact O-CG 3.47Å; E429-L431 PolarHBondContact O-N 2.94Å; L431-H435 PolarHBondContact O-N 3.23Å; L431-H435 PolarHBondContact O-ND1 3Å; L431-L530 HydrophobicContact CD1-CD1 4.21Å; L431-L530 HydrophobicContact CD1-CD2 4.07Å; L431-A825 HydrophobicContact CD1-CB 4.12Å
432L93.4Very high90.9Very high2 Ų245.6 Ų45.61%0.0125%0.249CC..Hα-helixtrans-68-43.1176.8-73.6167.2000110.8E428 E429 V430 D436 V437 H439 L530 I535E428-L432 WeakPolarHBondContact O-CD1 3.29Å; E428-L432 WeakPolarHBondContact O-CG 3.4Å; E428-L432 PolarHBondContact O-N 3.26Å; E428-L432 VanDerWaalsContact O-N 3.16Å; E429-L432 PolarHBondContact O-N 2.79Å; E429-L432 VanDerWaalsContact O-N 3.15Å; V430-L432 VanDerWaalsContact C-N 3.3Å; V430-L432 PolarHBondContact O-N 2.81Å; L432-D436 PolarHBondContact O-N 3.5Å; L432-V437 HydrophobicContact CB-CB 4.37Å; L432-V437 HydrophobicContact CD2-CB 3.68Å; L432-V437 HydrophobicContact CD2-CG1 3.56Å; L432-V437 HydrophobicContact CD2-CG2 4.28Å; L432-V437 PolarHBondContact O-N 3.44Å; L432-H439 HydrophobicContact CD1-CB 3.91Å; L432-L530 HydrophobicContact CD1-CD1 4.36Å; L432-L530 HydrophobicContact CD2-CD1 4.13Å; L432-L530 HydrophobicContact CG-CD1 4.3Å; L432-I535 HydrophobicContact CD1-CD1 4.25Å; L432-I535 HydrophobicContact CD1-CG1 4.42Å; L432-I535 HydrophobicContact CD2-CG1 4.08Å
433L92.5Very high91.2Very high37 Ų3747 Ų4719%0.19425%0.253CS..Hα-helixtrans-66.7-44.9178.1-69.5160.1000112.4C355 M397 L418 E429 V430 H435 D436C355-L433 VanDerWaalsContact SG-CB 3.57Å; M397-L433 HydrophobicContact CE-CD1 3.49Å; M397-L433 VanDerWaalsContact CE-CD1 3.49Å; M397-L433 HydrophobicContact CE-CD2 3.72Å; M397-L433 HydrophobicContact CE-CG 4.09Å; L418-L433 HydrophobicContact CD1-CD1 4Å; L418-L433 HydrophobicContact CD2-CD1 3.74Å; E429-L433 HydrophobicContact CG-CD1 3.92Å; E429-L433 HydrophobicContact CG-CG 4.48Å; E429-L433 WeakPolarHBondContact O-CD1 3.44Å; E429-L433 VanDerWaalsContact O-CG 3.29Å; E429-L433 WeakPolarHBondContact O-CG 3.48Å; E429-L433 PolarHBondContact O-N 2.98Å; V430-L433 PolarHBondContact O-N 2.84Å; L433-H435 PolarHBondContact O-N 3.49Å; L433-D436 PolarHBondContact O-N 3Å
434E90.9Very high91.2Very high23 Ų2348.6 Ų48.611%0.10726%0.26CS..Hα-helixtrans-62.9-29-180-81.5-58.3121.600113.4R352 C355 A374 V430R352-E434 IonicContact CZ-OE1 3.27Å; R352-E434 IonicContact CZ-OE2 2.89Å; R352-E434 IonicContact NH1-OE1 2.73Å; R352-E434 PolarHBondContact NH1-OE1 2.97Å; R352-E434 IonicContact NH1-OE2 3.07Å; R352-E434 PolarHBondContact NH1-OE2 2.94Å; R352-E434 PolarHBondContact NH2-O 2.95Å; R352-E434 VanDerWaalsContact NH2-O 3.16Å; R352-E434 IonicContact NH2-OE1 3.17Å; R352-E434 IonicContact NH2-OE2 2.71Å; R352-E434 PolarHBondContact NH2-OE2 2.86Å; C355-E434 HydrophobicContact CB-CG 4.09Å; C355-E434 PolarHBondContact N-OE1 2.83Å; A374-E434 HydrophobicContact CB-CG 4.28Å; V430-E434 HydrophobicContact CG1-CG 4.4Å; V430-E434 WeakPolarHBondContact O-CB 3.34Å; V430-E434 WeakPolarHBondContact O-CG 3.29Å; V430-E434 PolarHBondContact O-N 2.85Å
435H91.6Very high91.3Very high25 Ų2549 Ų4912%0.11627%0.272CS..THydrogen-bonded Turntrans-97.110.3176.3-6298.6000113.1L431 L433 V437 M821 Y824 A825 S828L431-H435 PolarHBondContact O-N 3.23Å; L431-H435 PolarHBondContact O-ND1 3Å; L433-H435 PolarHBondContact O-N 3.49Å; H435-V437 VanDerWaalsContact C-N 3.3Å; H435-V437 HydrophobicContact CB-CG2 4.16Å; H435-V437 PolarHBondContact O-N 3.38Å; H435-M821 HydrophobicContact CB-CB 4.49Å; H435-M821 WeakPolarHBondContact O-CB 3.48Å; H435-M821 WeakPolarHBondContact O-CG 3.41Å; H435-Y824 WeakPolarHBondContact CD2-CB 3.46Å; H435-A825 HydrophobicContact CB-CB 4.13Å; H435-S828 PolarHBondContact CE1-OG 3.17Å
436D91.7Very high91.5Very high67 Ų6743.3 Ų43.336%0.35824%0.242SC..THydrogen-bonded Turntrans49.650.8-178.6-171.933.6000111.7L432 L433 P438 R818L432-D436 PolarHBondContact O-N 3.5Å; L433-D436 PolarHBondContact O-N 3Å; D436-P438 WeakPolarHBondContact O-CD 3.45Å; D436-R818 PolarHBondContact O-NH1 2.95Å; D436-R818 IonicContact OD1-NH1 2.65Å; D436-R818 IonicContact OD2-CZ 3.84Å; D436-R818 IonicContact OD2-NH1 3.43Å; D436-R818 PolarHBondContact OD2-NH1 2.79Å; D436-R818 IonicContact OD2-NH2 3.14Å
437V94.4Very high91.6Very high10 Ų1046 Ų466%0.06126%0.256CS..  trans-97.5112173.7179.30000108.6L432 H435 H439 V528 I535 A825L432-V437 HydrophobicContact CB-CB 4.37Å; L432-V437 HydrophobicContact CD2-CB 3.68Å; L432-V437 HydrophobicContact CD2-CG1 3.56Å; L432-V437 HydrophobicContact CD2-CG2 4.28Å; L432-V437 PolarHBondContact O-N 3.44Å; H435-V437 VanDerWaalsContact C-N 3.3Å; H435-V437 HydrophobicContact CB-CG2 4.16Å; H435-V437 PolarHBondContact O-N 3.38Å; V437-H439 PolarHBondContact O-N 2.92Å; V437-H439 VanDerWaalsContact O-N 3.1Å; V437-H439 PolarHBondContact O-ND1 3.4Å; V437-V528 HydrophobicContact CG1-CB 4.18Å; V437-V528 HydrophobicContact CG1-CG1 4.49Å; V437-V528 HydrophobicContact CG1-CG2 3.6Å; V437-V528 HydrophobicContact CG2-CG2 4.36Å; V437-I535 HydrophobicContact CG1-CG2 4.5Å; V437-A825 HydrophobicContact CG2-CB 4.11Å
438P91.6Very high91.7Very high27 Ų2748.8 Ų48.818%0.17528%0.277CS..  trans-64.9113.4176.9-17.430.4000110.2D436 R524 I535D436-P438 WeakPolarHBondContact O-CD 3.45Å; P438-R524 HydrophobicContact CB-CG 4.35Å; P438-I535 WeakPolarHBondContact O-CG2 3.48Å
439H92.8Very high91.8Very high52 Ų5253.2 Ų53.224%0.24130%0.297CS..  trans-121.410.5-177.559.5-85.1000112.8E429 L432 V437 I535E429-H439 IonicContact OE1-NE2 3.62Å; L432-H439 HydrophobicContact CD1-CB 3.91Å; V437-H439 PolarHBondContact O-N 2.92Å; V437-H439 VanDerWaalsContact O-N 3.1Å; V437-H439 PolarHBondContact O-ND1 3.4Å; H439-I535 HydrophobicContact CB-CD1 4.21Å; H439-I535 HydrophobicContact CB-CG2 4.29Å
440Q89.6Confident91.9Very high159 Ų15952.2 Ų52.274%0.74329%0.293SS*.SBendtrans-66.1153.3173.4-66.5175.1-7.600110.9R524Q440-R524 PolarHBondContact O-NH2 3.41Å
441A91.1Very high91.9Very high93 Ų9353.5 Ų53.577%0.76930%0.302SS*.PPolyproline II helixtrans-60.5151.3171.800000110.9S443A441-S443 PolarHBondContact O-N 3.39Å
442F92.1Very high91.9Very high39 Ų3961.8 Ų61.817%0.17134%0.337CS..PPolyproline II helixtrans-65.5133.1175.4-65.7-79.9000110.1V446 L447 E520 R524 P539F442-V446 HydrophobicContact CB-CB 4.38Å; F442-V446 HydrophobicContact CB-CG1 4.18Å; F442-V446 HydrophobicContact CD1-CG1 3.94Å; F442-V446 HydrophobicContact CG-CG1 4.41Å; F442-L447 HydrophobicContact CB-CD2 4.07Å; F442-L447 HydrophobicContact CB-CG 4.38Å; F442-E520 HydrophobicContact CD1-CG 3.91Å; F442-E520 HydrophobicContact CE1-CG 4.03Å; F442-R524 VanDerWaalsContact CZ-CZ 3.48Å; F442-P539 HydrophobicContact CD1-CG 4.03Å; F442-P539 HydrophobicContact CD2-CB 4.23Å; F442-P539 HydrophobicContact CD2-CG 4.05Å; F442-P539 HydrophobicContact CE1-CG 4.16Å; F442-P539 HydrophobicContact CE2-CB 4.29Å; F442-P539 HydrophobicContact CE2-CG 4.19Å; F442-P539 HydrophobicContact CG-CG 3.96Å; F442-P539 HydrophobicContact CZ-CG 4.23Å
443S89.7Confident91.7Very high66 Ų6666.5 Ų66.546%0.46236%0.36SS..PPolyproline II helixtrans-67.9158.2-179.970.20000112.1A441 A445 V446 L447A441-S443 PolarHBondContact O-N 3.39Å; S443-A445 PolarHBondContact O-N 2.85Å; S443-V446 WeakPolarHBondContact O-CA 3.44Å; S443-V446 WeakPolarHBondContact O-CB 3.44Å; S443-V446 PolarHBondContact O-N 3.26Å; S443-L447 PolarHBondContact O-N 3.09Å
444Q87.6Confident91.6Very high144 Ų14471 Ų7167%0.67339%0.391SS*.Hα-helixtrans-59.5-31.2178.2-169.858.928.800112.7V446 L447 S448Q444-V446 VanDerWaalsContact C-N 3.29Å; Q444-V446 PolarHBondContact O-N 2.98Å; Q444-L447 PolarHBondContact O-N 3.14Å; Q444-S448 WeakPolarHBondContact O-CB 3.48Å; Q444-S448 PolarHBondContact O-N 3.29Å
445A88.9Confident91.6Very high54 Ų5472.3 Ų72.345%0.44640%0.395SS..Hα-helixtrans-66.3-29.7174.300000112.9S443 S448 F449 A516S443-A445 PolarHBondContact O-N 2.85Å; A445-S448 PolarHBondContact O-OG 3.18Å; A445-F449 WeakPolarHBondContact O-CD2 3.46Å; A445-F449 WeakPolarHBondContact O-CE2 3.41Å; A445-A516 HydrophobicContact CB-CB 4.3Å
446V92.9Very high91.6Very high3 Ų375.3 Ų75.32%0.01842%0.419CS..Hα-helixtrans-74.5-46.7172.3171.80000110.1F442 S443 Q444 S448 F449 A516 L517 E520 P539F442-V446 HydrophobicContact CB-CB 4.38Å; F442-V446 HydrophobicContact CB-CG1 4.18Å; F442-V446 HydrophobicContact CD1-CG1 3.94Å; F442-V446 HydrophobicContact CG-CG1 4.41Å; S443-V446 WeakPolarHBondContact O-CA 3.44Å; S443-V446 WeakPolarHBondContact O-CB 3.44Å; S443-V446 PolarHBondContact O-N 3.26Å; Q444-V446 VanDerWaalsContact C-N 3.29Å; Q444-V446 PolarHBondContact O-N 2.98Å; V446-S448 VanDerWaalsContact C-N 3.27Å; V446-S448 PolarHBondContact O-N 3.06Å; V446-F449 PolarHBondContact O-N 3.14Å; V446-A516 HydrophobicContact CG2-CB 4.14Å; V446-L517 HydrophobicContact CG1-CB 4.17Å; V446-L517 HydrophobicContact CG1-CD1 3.6Å; V446-L517 HydrophobicContact CG1-CG 4.48Å; V446-E520 HydrophobicContact CG2-CB 3.89Å; V446-E520 HydrophobicContact CG2-CG 4.24Å; V446-P539 HydrophobicContact CG1-CG 4.1Å
447L93.2Very high91.6Very high64 Ų6473.5 Ų73.534%0.33541%0.409SS..Hα-helixtrans-64.2-30.1-177.9-62.2178.5000112.8F442 S443 Q444 F449 L450 P539F442-L447 HydrophobicContact CB-CD2 4.07Å; F442-L447 HydrophobicContact CB-CG 4.38Å; S443-L447 PolarHBondContact O-N 3.09Å; Q444-L447 PolarHBondContact O-N 3.14Å; L447-F449 PolarHBondContact O-N 3.14Å; L447-L450 HydrophobicContact CB-CD1 4.47Å; L447-L450 HydrophobicContact CD2-CD1 3.71Å; L447-L450 VanDerWaalsContact O-CB 3.29Å; L447-L450 WeakPolarHBondContact O-CB 3.4Å; L447-L450 WeakPolarHBondContact O-CG 3.47Å; L447-L450 PolarHBondContact O-N 3.49Å; L447-L450 VanDerWaalsContact O-N 3.1Å; L447-P539 HydrophobicContact CD2-CB 4.43Å; L447-P539 HydrophobicContact CD2-CG 4.44Å
448S93.2Very high91.4Very high80 Ų8075.4 Ų75.456%0.55942%0.421SS*.THydrogen-bonded Turntrans-67.3-19.917868.80000114.3Q444 A445 V446 L450Q444-S448 WeakPolarHBondContact O-CB 3.48Å; Q444-S448 PolarHBondContact O-N 3.29Å; A445-S448 PolarHBondContact O-OG 3.18Å; V446-S448 VanDerWaalsContact C-N 3.27Å; V446-S448 PolarHBondContact O-N 3.06Å; S448-L450 VanDerWaalsContact C-N 3.34Å
449F94.2Very high91.4Very high102 Ų10279 Ų7945%0.44744%0.444SS..THydrogen-bonded Turntrans-86.8-3.4174-71.1-67.1000113.5A445 V446 L447 N515 A516 L517A445-F449 WeakPolarHBondContact O-CD2 3.46Å; A445-F449 WeakPolarHBondContact O-CE2 3.41Å; V446-F449 PolarHBondContact O-N 3.14Å; L447-F449 PolarHBondContact O-N 3.14Å; F449-N515 HydrophobicContact CD1-CB 4.18Å; F449-N515 HydrophobicContact CD2-CB 4.19Å; F449-N515 HydrophobicContact CE1-CB 4.05Å; F449-N515 HydrophobicContact CE2-CB 4.08Å; F449-N515 HydrophobicContact CG-CB 4.26Å; F449-N515 HydrophobicContact CZ-CB 4Å; F449-A516 HydrophobicContact CD2-CB 3.89Å; F449-A516 HydrophobicContact CE2-CB 3.67Å; F449-L517 HydrophobicContact CB-CB 4.36Å
450L94.5Very high91.3Very high28 Ų2882.8 Ų82.815%0.14746%0.462CS..SBendtrans-69.3144.9173.1-64.7176.4000110.3L447 S448 L517 P539 L541 L542L447-L450 HydrophobicContact CB-CD1 4.47Å; L447-L450 HydrophobicContact CD2-CD1 3.71Å; L447-L450 VanDerWaalsContact O-CB 3.29Å; L447-L450 WeakPolarHBondContact O-CB 3.4Å; L447-L450 WeakPolarHBondContact O-CG 3.47Å; L447-L450 PolarHBondContact O-N 3.49Å; L447-L450 VanDerWaalsContact O-N 3.1Å; S448-L450 VanDerWaalsContact C-N 3.34Å; L450-L517 HydrophobicContact CD2-CD2 4.39Å; L450-P539 HydrophobicContact CD1-CB 4.02Å; L450-P539 HydrophobicContact CD1-CG 4.34Å; L450-P539 HydrophobicContact CD2-CB 4.2Å; L450-P539 HydrophobicContact CD2-CG 4.12Å; L450-L541 HydrophobicContact CB-CD2 4.32Å; L450-L541 HydrophobicContact CD1-CB 4.48Å; L450-L541 HydrophobicContact CD1-CD2 4.21Å; L450-L542 HydrophobicContact CD2-CD1 3.6Å; L450-L542 HydrophobicContact CD2-CD2 4.27Å; L450-L542 HydrophobicContact CD2-CG 3.63Å
451P92.4Very high91.2Very high34 Ų3476.4 Ų76.422%0.22143%0.433CS..PPolyproline II helixtrans-62.4145.4174.227.8-34.6000110.2F510 L546P451-F510 HydrophobicContact CG-CD1 4.16Å; P451-F510 HydrophobicContact CG-CE1 4.33Å; P451-L546 HydrophobicContact CG-CD1 3.31Å
452K91Very high91.2Very high188 Ų18874.2 Ų74.282%0.81741%0.407SS*.PPolyproline II helixtrans-69141176.5-65.7-176.6-179.9-179.90109.9
453M90.4Very high91.1Very high102 Ų10276.6 Ų76.650%0.50243%0.434SS..SBendtrans-93.3144.2172.9-67.3-61.9-71.900110.2W455 L541 L546M453-W455 HydrophobicContact SD-CB 3.98Å; M453-L541 HydrophobicContact CE-CD1 4.46Å; M453-L541 HydrophobicContact CG-CD1 4.2Å; M453-L541 HydrophobicContact CG-CD2 4.24Å; M453-L541 HydrophobicContact SD-CD1 4.02Å; M453-L546 HydrophobicContact SD-CD2 4.23Å
454P89.8Confident91.1Very high130 Ų13081.1 Ų81.184%0.84445%0.448SS*.SBendcis-73.8144.8-1.531.4-35000112.8
455W90.8Very high91.5Very high52 Ų5275.5 Ų75.520%0.19742%0.421CS..  trans-107.1135.7177.3-178.386.3000110.9M453 I457 F510 L546 F556M453-W455 HydrophobicContact SD-CB 3.98Å; W455-I457 HydrophobicContact CH2-CD1 4.48Å; W455-I457 HydrophobicContact CH2-CG1 3.66Å; W455-I457 HydrophobicContact CZ2-CG1 4.42Å; W455-I457 HydrophobicContact CZ3-CG1 4.04Å; W455-F510 AromaticContact CE2-CE1 3.92Å; W455-F510 HydrophobicContact CH2-CZ 4.16Å; W455-F510 AromaticContact CZ2-CE1 3.99Å; W455-F510 HydrophobicContact CZ2-CE1 3.99Å; W455-F510 AromaticContact CZ2-CZ 3.73Å; W455-F510 HydrophobicContact CZ2-CZ 3.73Å; W455-F510 AromaticContact NE1-CE1 3.91Å; W455-L546 HydrophobicContact CB-CD2 3.86Å; W455-L546 HydrophobicContact CD2-CD2 3.99Å; W455-L546 HydrophobicContact CE3-CD2 3.8Å; W455-L546 HydrophobicContact CG-CD2 4.04Å; W455-F556 HydrophobicContact CH2-CD2 4.14Å; W455-F556 AromaticContact CH2-CE2 3.94Å; W455-F556 HydrophobicContact CH2-CE2 3.94Å; W455-F556 HydrophobicContact CH2-CZ 4.15Å; W455-F556 HydrophobicContact CZ2-CD2 4.02Å; W455-F556 AromaticContact CZ2-CE2 3.52Å; W455-F556 HydrophobicContact CZ2-CE2 3.52Å; W455-F556 AromaticContact CZ2-CZ 3.94Å; W455-F556 HydrophobicContact CZ2-CZ 3.94Å
456S91Very high91.8Very high88 Ų8876.4 Ų76.462%0.61542%0.416SS*.  trans-143.8153.3176.858.30000110.6T458S456-T458 PolarHBondContact O-N 3.49Å
457I92Very high92Very high28 Ų2879.2 Ų79.214%0.14443%0.431CS..  trans-69.1129.4176.8-61.6-179.6000109.7W455 D461 M462 E554 F556 V579W455-I457 HydrophobicContact CH2-CD1 4.48Å; W455-I457 HydrophobicContact CH2-CG1 3.66Å; W455-I457 HydrophobicContact CZ2-CG1 4.42Å; W455-I457 HydrophobicContact CZ3-CG1 4.04Å; I457-D461 HydrophobicContact CG2-CB 4.18Å; I457-M462 HydrophobicContact CG2-CG 3.9Å; I457-M462 HydrophobicContact CG2-SD 3.95Å; I457-E554 HydrophobicContact CD1-CB 3.62Å; I457-F556 HydrophobicContact CB-CE1 4.3Å; I457-F556 HydrophobicContact CD1-CD1 4.12Å; I457-F556 HydrophobicContact CD1-CE1 3.84Å; I457-F556 HydrophobicContact CG1-CD1 4.42Å; I457-F556 HydrophobicContact CG1-CE1 3.77Å; I457-F556 HydrophobicContact CG1-CZ 4.09Å; I457-F556 HydrophobicContact CG2-CE1 3.73Å; I457-F556 HydrophobicContact CG2-CZ 4.12Å; I457-V579 HydrophobicContact CD1-CG1 3.43Å; I457-V579 VanDerWaalsContact CD1-CG1 3.43Å; I457-V579 HydrophobicContact CD1-CG2 4.48Å
458T91.2Very high92.2Very high50 Ų5076.3 Ų76.331%0.30742%0.415SS..  trans-92.3158.2-178.6680000112.2S456 E460 D461 M462S456-T458 PolarHBondContact O-N 3.49Å; T458-E460 WeakPolarHBondContact CB-OE2 3.34Å; T458-E460 PolarHBondContact O-N 3.13Å; T458-E460 PolarHBondContact OG1-OE2 3.1Å; T458-D461 WeakPolarHBondContact CB-OD2 3.43Å; T458-D461 PolarHBondContact N-OD2 2.86Å; T458-D461 VanDerWaalsContact N-OD2 3.13Å; T458-D461 WeakPolarHBondContact O-CB 3.5Å; T458-D461 PolarHBondContact O-N 2.87Å; T458-D461 PolarHBondContact OG1-N 2.84Å; T458-D461 VanDerWaalsContact OG1-N 3.16Å; T458-D461 PolarHBondContact OG1-OD2 2.85Å; T458-M462 PolarHBondContact O-N 3.43Å; T458-M462 VanDerWaalsContact O-N 3.13Å
459P91.8Very high92.4Very high102 Ų10276 Ų7666%0.66240%0.402SS*.Hα-helixtrans-57.8-33171.4-2535.5000113.3M462 A463P459-M462 PolarHBondContact O-N 3.12Å; P459-A463 PolarHBondContact O-N 3.48Å; P459-A463 VanDerWaalsContact O-N 3.08Å
460E90.8Very high92.4Very high132 Ų13277 Ų7762%0.61741%0.408SS*.Hα-helixtrans-65.6-41.7176.2-64.872.8-159.500111.4T458 M462 A463T458-E460 WeakPolarHBondContact CB-OE2 3.34Å; T458-E460 PolarHBondContact O-N 3.13Å; T458-E460 PolarHBondContact OG1-OE2 3.1Å; E460-M462 VanDerWaalsContact C-N 3.3Å; E460-M462 PolarHBondContact O-N 3.48Å; E460-A463 WeakPolarHBondContact O-CB 3.43Å; E460-A463 PolarHBondContact O-N 2.6Å
461D87.8Confident92.5Very high25 Ų2575.9 Ų75.913%0.13440%0.402CS..Hα-helixtrans-63.2-38.7174.5-64.6-51.4000111.7I457 T458 A463 Q464 R465 H509 F556I457-D461 HydrophobicContact CG2-CB 4.18Å; T458-D461 WeakPolarHBondContact CB-OD2 3.43Å; T458-D461 PolarHBondContact N-OD2 2.86Å; T458-D461 VanDerWaalsContact N-OD2 3.13Å; T458-D461 WeakPolarHBondContact O-CB 3.5Å; T458-D461 PolarHBondContact O-N 2.87Å; T458-D461 PolarHBondContact OG1-N 2.84Å; T458-D461 VanDerWaalsContact OG1-N 3.16Å; T458-D461 PolarHBondContact OG1-OD2 2.85Å; D461-A463 VanDerWaalsContact C-N 3.28Å; D461-A463 PolarHBondContact O-N 3.04Å; D461-Q464 PolarHBondContact O-N 3.28Å; D461-R465 WeakPolarHBondContact O-CB 3.39Å; D461-R465 WeakPolarHBondContact O-CG 3.19Å; D461-R465 PolarHBondContact O-N 2.71Å; D461-H509 IonicContact OD1-CE1 3.9Å; D461-F556 HydrophobicContact CB-CE1 3.93Å; D461-F556 HydrophobicContact CB-CE2 4.5Å; D461-F556 HydrophobicContact CB-CZ 3.48Å; D461-F556 VanDerWaalsContact CB-CZ 3.48Å; D461-F556 VanDerWaalsContact CG-CZ 3.48Å
462M89.6Confident92.7Very high47 Ų4776.2 Ų76.223%0.23240%0.403CS..Hα-helixtrans-67.2-28177-71.5-63.9-58.500112.7I457 T458 P459 E460 Q464 D467 V579I457-M462 HydrophobicContact CG2-CG 3.9Å; I457-M462 HydrophobicContact CG2-SD 3.95Å; T458-M462 PolarHBondContact O-N 3.43Å; T458-M462 VanDerWaalsContact O-N 3.13Å; P459-M462 PolarHBondContact O-N 3.12Å; E460-M462 VanDerWaalsContact C-N 3.3Å; E460-M462 PolarHBondContact O-N 3.48Å; M462-Q464 VanDerWaalsContact C-N 3.31Å; M462-D467 HydrophobicContact CE-CB 3.71Å; M462-V579 HydrophobicContact SD-CB 3.98Å; M462-V579 HydrophobicContact SD-CG1 4.21Å; M462-V579 HydrophobicContact SD-CG2 3.51Å; M462-V579 VanDerWaalsContact SD-CG2 3.51Å
463A90.6Very high93Very high90 Ų9067.2 Ų67.274%0.74436%0.364SS*.Hα-helixtrans-71.2-27.5176.700000112.7P459 E460 D461P459-A463 PolarHBondContact O-N 3.48Å; P459-A463 VanDerWaalsContact O-N 3.08Å; E460-A463 WeakPolarHBondContact O-CB 3.43Å; E460-A463 PolarHBondContact O-N 2.6Å; D461-A463 VanDerWaalsContact C-N 3.28Å; D461-A463 PolarHBondContact O-N 3.04Å
464Q89.4Confident93.3Very high161 Ų16162.4 Ų62.475%0.75234%0.341SS*.Hα-helixtrans-93.6-8.9-179.4-62.7-170-9.900113.7D461 M462D461-Q464 PolarHBondContact O-N 3.28Å; M462-Q464 VanDerWaalsContact C-N 3.31Å
465R95.1Very high93.6Very high25 Ų2556.2 Ų56.29%0.09430%0.301CS..SBendtrans-125.2147.8-171.6-65.9175.8178.6-82.5-2.1111D461 D506 H509 K577 V579D461-R465 WeakPolarHBondContact O-CB 3.39Å; D461-R465 WeakPolarHBondContact O-CG 3.19Å; D461-R465 PolarHBondContact O-N 2.71Å; R465-D506 IonicContact CZ-OD2 3.23Å; R465-D506 IonicContact NH1-OD2 2.87Å; R465-D506 PolarHBondContact NH1-OD2 3.23Å; R465-D506 IonicContact NH2-OD2 2.92Å; R465-D506 PolarHBondContact NH2-OD2 2.91Å; R465-H509 PolarHBondContact NH2-ND1 3.5Å; R465-K577 WeakPolarHBondContact CA-O 3.42Å; R465-K577 HydrophobicContact CG-CB 4.22Å; R465-V579 HydrophobicContact CB-CG2 3.98Å
466Q96.2Very high93.7Very high74 Ų7453.8 Ų53.835%0.34629%0.291SS..EExtended strand (participates in β ladder)trans-75.5132171.6-171.2175.99.300111.2L468 K577 S578 V579Q466-L468 HydrophobicContact CG-CD2 3.93Å; Q466-L468 HydrophobicContact CG-CG 4.26Å; Q466-L468 PolarHBondContact O-N 3.44Å; Q466-K577 PolarHBondContact N-O 3.23Å; Q466-S578 CarbonylContact O-C 3.58Å; Q466-S578 WeakPolarHBondContact O-CA 3.29Å; Q466-S578 WeakPolarHBondContact O-CB 3.46Å; Q466-V579 PolarHBondContact O-N 3.18Å
467D97.3Very high93.7Very high61 Ų6150.2 Ų50.233%0.32627%0.265SS..EExtended strand (participates in β ladder)trans-78113.5172.1-168.7-7.1000111.3M462 R469 H470M462-D467 HydrophobicContact CE-CB 3.71Å; D467-R469 WeakPolarHBondContact OD1-CB 3.5Å; D467-R469 VanDerWaalsContact OD1-CG 3.27Å; D467-R469 WeakPolarHBondContact OD1-CG 3.5Å; D467-R469 IonicContact OD1-CZ 3.66Å; D467-R469 PolarHBondContact OD1-N 3.2Å; D467-R469 IonicContact OD1-NE 2.76Å; D467-R469 PolarHBondContact OD1-NE 2.9Å; D467-R469 IonicContact OD1-NH2 3.79Å; D467-R469 IonicContact OD2-CZ 2.76Å; D467-R469 IonicContact OD2-NE 3.31Å; D467-R469 PolarHBondContact OD2-NE 3.29Å; D467-R469 IonicContact OD2-NH2 3.83Å; D467-R469 PolarHBondContact OD2-NH2 3.01Å; D467-H470 PolarHBondContact O-CE1 3.09Å
468L97.5Very high93.5Very high3 Ų351.7 Ų51.72%0.01628%0.277CS..  trans-119.314.8178.1-61.5-177.7000111.9Q466 H470 L471 I561 V579 I580Q466-L468 HydrophobicContact CG-CD2 3.93Å; Q466-L468 HydrophobicContact CG-CG 4.26Å; Q466-L468 PolarHBondContact O-N 3.44Å; L468-H470 PolarHBondContact O-N 2.99Å; L468-H470 VanDerWaalsContact O-N 3.17Å; L468-L471 HydrophobicContact CB-CD1 4.07Å; L468-L471 HydrophobicContact CB-CG 4.48Å; L468-L471 HydrophobicContact CD2-CD1 4.04Å; L468-L471 HydrophobicContact CG-CD1 4.44Å; L468-L471 WeakPolarHBondContact O-CB 3.4Å; L468-L471 PolarHBondContact O-N 3.05Å; L468-L471 VanDerWaalsContact O-N 3.08Å; L468-I561 HydrophobicContact CD1-CD1 3.91Å; L468-V579 CarbonylContact C-O 3.59Å; L468-V579 WeakPolarHBondContact CA-O 3.43Å; L468-V579 PolarHBondContact N-O 3.32Å; L468-I580 HydrophobicContact CB-CG2 3.95Å; L468-I580 HydrophobicContact CD1-CG2 4.49Å
469R96.4Very high93.1Very high75 Ų7552.9 Ų52.928%0.28329%0.285SS..THydrogen-bonded Turntrans-65.3-19.8-176.5-64.8176.3-68.4177-2.2114.3D467 L471 E554 V579 N581 K583D467-R469 WeakPolarHBondContact OD1-CB 3.5Å; D467-R469 VanDerWaalsContact OD1-CG 3.27Å; D467-R469 WeakPolarHBondContact OD1-CG 3.5Å; D467-R469 IonicContact OD1-CZ 3.66Å; D467-R469 PolarHBondContact OD1-N 3.2Å; D467-R469 IonicContact OD1-NE 2.76Å; D467-R469 PolarHBondContact OD1-NE 2.9Å; D467-R469 IonicContact OD1-NH2 3.79Å; D467-R469 IonicContact OD2-CZ 2.76Å; D467-R469 IonicContact OD2-NE 3.31Å; D467-R469 PolarHBondContact OD2-NE 3.29Å; D467-R469 IonicContact OD2-NH2 3.83Å; D467-R469 PolarHBondContact OD2-NH2 3.01Å; R469-L471 VanDerWaalsContact C-N 3.27Å; R469-E554 WeakPolarHBondContact CD-OE1 3.5Å; R469-E554 IonicContact CZ-OE1 3.71Å; R469-E554 IonicContact NE-OE1 3.46Å; R469-E554 IonicContact NH1-OE1 2.94Å; R469-E554 PolarHBondContact NH1-OE1 3.28Å; R469-E554 IonicContact NH1-OE2 3.96Å; R469-V579 HydrophobicContact CG-CG1 4.06Å; R469-V579 PolarHBondContact N-O 3.48Å; R469-N581 HydrophobicContact CB-CB 4.24Å; R469-N581 HydrophobicContact CG-CB 4.2Å; R469-K583 PolarHBondContact O-NZ 2.9Å; R469-K583 VanDerWaalsContact O-NZ 3.15Å
470H95.4Very high92.6Very high122 Ų12251.7 Ų51.757%0.56529%0.292SS*.THydrogen-bonded Turntrans-75.1-14.4176.266.1-83.6000113.2D467 L468D467-H470 PolarHBondContact O-CE1 3.09Å; L468-H470 PolarHBondContact O-N 2.99Å; L468-H470 VanDerWaalsContact O-N 3.17Å
471L96.5Very high92.3Very high5 Ų547.3 Ų47.33%0.02628%0.275CS..SBendtrans-79.9147.7179.8-61-177.7000112L468 R469 V473 R491L468-L471 HydrophobicContact CB-CD1 4.07Å; L468-L471 HydrophobicContact CB-CG 4.48Å; L468-L471 HydrophobicContact CD2-CD1 4.04Å; L468-L471 HydrophobicContact CG-CD1 4.44Å; L468-L471 WeakPolarHBondContact O-CB 3.4Å; L468-L471 PolarHBondContact O-N 3.05Å; L468-L471 VanDerWaalsContact O-N 3.08Å; R469-L471 VanDerWaalsContact C-N 3.27Å; L471-V473 HydrophobicContact CB-CG2 3.97Å; L471-V473 PolarHBondContact O-N 3.02Å; L471-V473 VanDerWaalsContact O-N 3.09Å; L471-R491 VanDerWaalsContact CD2-CZ 3.42Å; L471-R491 VanDerWaalsContact CD2-NH1 3.28Å
472T95.8Very high92.2Very high40 Ų4049.3 Ų49.325%0.24529%0.288CS..  trans-83.381.6172.9-54.40000110H489 K583 D603 I604T472-H489 WeakPolarHBondContact O-CB 3.24Å; T472-K583 HydrophobicContact CG2-CG 4.49Å; T472-D603 HydrophobicContact CG2-CB 3.78Å; T472-I604 HydrophobicContact CG2-CB 4.35Å; T472-I604 HydrophobicContact CG2-CG1 3.45Å; T472-I604 VanDerWaalsContact CG2-CG1 3.45Å
473V97.3Very high92.1Very high0 Ų047.7 Ų47.70%028%0.281CS..  trans-93.9140.8177.9178.50000110L471 A487 L488 H489 I580 K583L471-V473 HydrophobicContact CB-CG2 3.97Å; L471-V473 PolarHBondContact O-N 3.02Å; L471-V473 VanDerWaalsContact O-N 3.09Å; V473-A487 HydrophobicContact CG1-CB 3.39Å; V473-L488 WeakPolarHBondContact CA-O 3.46Å; V473-H489 HydrophobicContact CG2-CB 4.21Å; V473-I580 HydrophobicContact CG1-CD1 4.31Å; V473-K583 PolarHBondContact O-N 3.27Å
474C96.8Very high92.2Very high1 Ų144 Ų441%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-138.6154.4172.165.80000111.6A487 L488 A584 I604C474-A487 CarbonylContact O-C 3.45Å; C474-A487 WeakPolarHBondContact O-CA 3.49Å; C474-L488 PolarHBondContact N-O 3.13Å; C474-L488 PolarHBondContact O-N 2.92Å; C474-A584 WeakPolarHBondContact CA-O 3.43Å; C474-A584 HydrophobicContact CB-CB 4.27Å; C474-I604 HydrophobicContact CB-CG2 4.03Å
475S96Very high92.3Very high0 Ų036.5 Ų36.50%021%0.213CC..EExtended strand (participates in β ladder)trans-106.1150.2170.979.70000110.9D477 D486 A584 S585 L586S475-D477 VanDerWaalsContact CB-OD2 3.26Å; S475-D477 WeakPolarHBondContact CB-OD2 3.43Å; S475-D477 PolarHBondContact OG-OD2 3.09Å; S475-D486 VanDerWaalsContact CB-O 3.28Å; S475-D486 WeakPolarHBondContact CB-O 3.39Å; S475-A584 PolarHBondContact N-O 3.15Å; S475-S585 WeakPolarHBondContact OG-CA 3.42Å; S475-L586 PolarHBondContact O-N 2.7Å
476V93.6Very high92.3Very high0 Ų036.1 Ų36.10%021%0.213CC..EExtended strand (participates in β ladder)trans-131.1107.8177.3-1760000109.2L586 Y588 A591 L608 M660 V661V476-L586 CarbonylContact C-O 3.49Å; V476-L586 WeakPolarHBondContact CA-O 3.46Å; V476-Y588 HydrophobicContact CG1-CD1 3.66Å; V476-Y588 HydrophobicContact CG1-CE1 3.9Å; V476-Y588 HydrophobicContact CG1-CG 4.21Å; V476-A591 HydrophobicContact CG1-CB 3.78Å; V476-A591 HydrophobicContact CG2-CB 4Å; V476-L608 HydrophobicContact CG2-CD2 4.07Å; V476-M660 HydrophobicContact CG2-CE 4.5Å; V476-V661 HydrophobicContact CB-CG2 4.06Å; V476-V661 HydrophobicContact CG1-CG2 4.43Å
477D90.9Very high92.3Very high14 Ų1432.6 Ų32.68%0.07520%0.197CC..EExtended strand (participates in β ladder)trans-128.5163.7-165.6-67-80.6000112.6S475 C481 I484 L586 T587 Y588S475-D477 VanDerWaalsContact CB-OD2 3.26Å; S475-D477 WeakPolarHBondContact CB-OD2 3.43Å; S475-D477 PolarHBondContact OG-OD2 3.09Å; D477-C481 HydrophobicContact CB-CB 3.79Å; D477-I484 WeakPolarHBondContact OD2-CG2 3.29Å; D477-L586 PolarHBondContact N-O 3.1Å; D477-T587 VanDerWaalsContact O-CA 3.3Å; D477-T587 WeakPolarHBondContact O-CA 3.42Å; D477-Y588 VanDerWaalsContact C-CE2 3.48Å; D477-Y588 WeakPolarHBondContact O-CD2 3.44Å; D477-Y588 PolarHBondContact O-N 2.73Å
478P86.7Confident92.4Very high59 Ų5929.8 Ų29.838%0.38318%0.181SC..  trans-62.2152.9166.5-17.329.8000111.8G480 C481 Y588P478-G480 PolarHBondContact O-N 3Å; P478-C481 WeakPolarHBondContact O-CB 3.43Å; P478-C481 PolarHBondContact O-N 2.74Å; P478-Y588 HydrophobicContact CB-CE2 4.49Å; P478-Y588 HydrophobicContact CG-CE2 3.93Å
479P83.9Confident92.4Very high75 Ų7529.8 Ų29.849%0.48718%0.181SC..THydrogen-bonded Turntrans-61.3132.7173.926.2-34000110.7T587 R636P479-T587 HydrophobicContact CB-CG2 4.33Å; P479-R636 PolarHBondContact O-NH2 3.21Å
480G80.8Confident92.5Very high77 Ų7726.8 Ų26.879%0.79417%0.172SC*.THydrogen-bonded Turntrans84.97.6-178.500000115.4P478 T482P478-G480 PolarHBondContact O-N 3Å; G480-T482 PolarHBondContact O-N 3.49Å
481C84.1Confident92.5Very high40 Ų4025.5 Ų25.527%0.2716%0.162SC..  trans-65.1129.8176.3-169.10000111.4D477 P478D477-C481 HydrophobicContact CB-CB 3.79Å; P478-C481 WeakPolarHBondContact O-CB 3.43Å; P478-C481 PolarHBondContact O-N 2.74Å
482T85.2Confident92.4Very high66 Ų6631.5 Ų31.541%0.40519%0.19SC..  trans-113.9-25.317556.60000112.5G480 I484 R534 S548G480-T482 PolarHBondContact O-N 3.49Å; T482-I484 PolarHBondContact O-N 2.88Å; T482-R534 PolarHBondContact OG1-NH1 3.28Å; T482-S548 WeakPolarHBondContact O-CB 3.47Å; T482-S548 PolarHBondContact O-OG 3Å
483D87.8Confident92.4Very high14 Ų1431.6 Ų31.68%0.07519%0.189CC..  trans-9566.6178.251.2-38.6000111.4D485 Y529 R534 I777D483-D485 PolarHBondContact O-N 2.77Å; D483-D485 VanDerWaalsContact O-N 3.14Å; D483-Y529 PolarHBondContact OD2-OH 3.29Å; D483-R534 IonicContact OD1-CZ 2.61Å; D483-R534 IonicContact OD1-NH1 3.9Å; D483-R534 PolarHBondContact OD1-NH1 3.06Å; D483-R534 IonicContact OD2-NH1 3.46Å; D483-I777 HydrophobicContact CB-CG2 3.95Å
484I92.4Very high92.2Very high12 Ų1241.7 Ų41.76%0.06224%0.236CC..  trans-76.4101.3-179.5-56.5174.6000109.3D477 T482 S548 L549D477-I484 WeakPolarHBondContact OD2-CG2 3.29Å; T482-I484 PolarHBondContact O-N 2.88Å; I484-S548 PolarHBondContact N-OG 3.14Å; I484-S548 WeakPolarHBondContact O-CA 3.15Å; I484-L549 HydrophobicContact CG2-CB 4.13Å; I484-L549 PolarHBondContact O-N 3.2Å
485D93.1Very high91.9Very high4 Ų446.1 Ų46.12%0.02126%0.259CS..  trans-81-36.4179.8-83.2-68.1000112.8D483 I504 A505 L549 T774 S775 P776 I777 R778D483-D485 PolarHBondContact O-N 2.77Å; D483-D485 VanDerWaalsContact O-N 3.14Å; D485-I504 CarbonylContact O-C 3.57Å; D485-I504 VanDerWaalsContact O-CA 3.31Å; D485-I504 WeakPolarHBondContact O-CA 3.13Å; D485-A505 PolarHBondContact O-N 2.71Å; D485-L549 WeakPolarHBondContact O-CD1 3.21Å; D485-T774 WeakPolarHBondContact CB-O 3.46Å; D485-S775 VanDerWaalsContact CG-CA 3.43Å; D485-S775 WeakPolarHBondContact OD1-CA 3.37Å; D485-S775 WeakPolarHBondContact OD2-CA 3.48Å; D485-S775 VanDerWaalsContact OD2-CB 3.29Å; D485-S775 WeakPolarHBondContact OD2-CB 3.34Å; D485-P776 WeakPolarHBondContact OD1-CD 3.35Å; D485-I777 WeakPolarHBondContact OD1-CB 3.4Å; D485-I777 WeakPolarHBondContact OD1-CD1 3.48Å; D485-I777 WeakPolarHBondContact OD1-CG1 3.36Å; D485-I777 PolarHBondContact OD1-N 3.45Å; D485-R778 IonicContact OD2-NE 3.1Å
486D94.3Very high91.6Very high17 Ų1747.8 Ų47.89%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-121.2147.2-167.663.9-82.6000113.9S475 H503 I504 M665S475-D486 VanDerWaalsContact CB-O 3.28Å; S475-D486 WeakPolarHBondContact CB-O 3.39Å; D486-H503 CarbonylContact C-O 3.58Å; D486-H503 WeakPolarHBondContact CA-O 3.02Å; D486-I504 HydrophobicContact CB-CD1 3.66Å; D486-M665 HydrophobicContact CB-CE 3.79Å; D486-M665 HydrophobicContact CB-SD 3.95Å; D486-M665 WeakPolarHBondContact OD2-CE 3.38Å
487A97.3Very high91.7Very high0 Ų051 Ų510%029%0.291CS..EExtended strand (participates in β ladder)trans-143.8152.3171.200000110.3V473 C474 H503 L549 I580V473-A487 HydrophobicContact CG1-CB 3.39Å; C474-A487 CarbonylContact O-C 3.45Å; C474-A487 WeakPolarHBondContact O-CA 3.49Å; A487-H503 HydrophobicContact CB-CB 4.43Å; A487-H503 PolarHBondContact N-O 2.97Å; A487-H503 PolarHBondContact O-CD2 3.26Å; A487-H503 PolarHBondContact O-N 3.32Å; A487-L549 HydrophobicContact CB-CD1 3.88Å; A487-I580 HydrophobicContact CB-CD1 4.41Å
488L97.9Very high92.1Very high1 Ų151.1 Ų51.11%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-129.2149.1-167.9-66.8155.4000110.9V473 C474 G501 V502 L611 V661 F664 M665V473-L488 WeakPolarHBondContact CA-O 3.46Å; C474-L488 PolarHBondContact N-O 3.13Å; C474-L488 PolarHBondContact O-N 2.92Å; L488-G501 WeakPolarHBondContact CA-O 3.26Å; L488-V502 HydrophobicContact CD2-CB 4.49Å; L488-V502 HydrophobicContact CD2-CG2 3.53Å; L488-L611 HydrophobicContact CB-CD1 3.82Å; L488-V661 HydrophobicContact CD1-CG2 4.01Å; L488-F664 HydrophobicContact CD2-CB 3.94Å; L488-F664 HydrophobicContact CD2-CG 4.35Å; L488-M665 HydrophobicContact CD1-CE 4.46Å; L488-M665 HydrophobicContact CD2-CE 3.85Å; L488-M665 HydrophobicContact CG-CE 4.26Å
489H98.1Very high92.6Very high3 Ų349.5 Ų49.51%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-143.8156161.683-83.4000111.5T472 V473 E499 V500 G501 H503T472-H489 WeakPolarHBondContact O-CB 3.24Å; V473-H489 HydrophobicContact CG2-CB 4.21Å; H489-E499 IonicContact NE2-OE1 2.98Å; H489-V500 WeakPolarHBondContact O-CA 3.43Å; H489-G501 VanDerWaalsContact CE1-CA 3.43Å; H489-G501 WeakPolarHBondContact CE1-CA 3.23Å; H489-G501 PolarHBondContact CE1-N 3.23Å; H489-G501 PolarHBondContact N-O 2.93Å; H489-G501 WeakPolarHBondContact ND1-CA 3.34Å; H489-G501 PolarHBondContact O-N 3.46Å; H489-H503 AromaticContact CE1-CE1 3.9Å; H489-H503 AromaticContact CE1-NE2 3.57Å; H489-H503 AromaticContact CG-NE2 3.92Å; H489-H503 AromaticContact ND1-CD2 3.96Å; H489-H503 AromaticContact ND1-CE1 3.59Å; H489-H503 AromaticContact ND1-NE2 2.83Å; H489-H503 PolarHBondContact ND1-NE2 3.09Å
490C97.9Very high93.3Very high12 Ų1246 Ų468%0.08126%0.256CS..EExtended strand (participates in β ladder)trans-137.4132.5165.4179.50000108.4E499 V500 S607 L611C490-E499 WeakPolarHBondContact CA-O 3.02Å; C490-V500 HydrophobicContact CB-CG2 4.41Å; C490-S607 PolarHBondContact N-OG 3.48Å; C490-S607 WeakPolarHBondContact O-CB 3.46Å; C490-S607 PolarHBondContact O-OG 3.13Å; C490-L611 HydrophobicContact CB-CD2 3.78Å; C490-L611 HydrophobicContact CB-CG 3.66Å
491R96.1Very high94.1Very high96 Ų9642.3 Ų42.336%0.36222%0.218SC..EExtended strand (participates in β ladder)trans-138.9151.5173.266.7174.1173.7174-0.5111.3L471 L498 E499L471-R491 VanDerWaalsContact CD2-CZ 3.42Å; L471-R491 VanDerWaalsContact CD2-NH1 3.28Å; R491-L498 CarbonylContact O-C 3.55Å; R491-L498 WeakPolarHBondContact O-CA 3.5Å; R491-E499 HydrophobicContact CG-CB 3.98Å; R491-E499 IonicContact CZ-OE1 3.68Å; R491-E499 PolarHBondContact N-O 2.87Å; R491-E499 IonicContact NE-OE1 2.7Å; R491-E499 PolarHBondContact NE-OE1 2.89Å; R491-E499 IonicContact NH2-OE1 3.85Å; R491-E499 PolarHBondContact NH2-OE1 3.23Å; R491-E499 IonicContact NH2-OE2 3.39Å; R491-E499 PolarHBondContact O-N 2.94Å
492E95.3Very high94.8Very high131 Ų13140.4 Ų40.461%0.61221%0.205SC*.EExtended strand (participates in β ladder)trans-83.2138.1171.3-164.2164.8-171.200110.5L498E492-L498 HydrophobicContact CB-CD2 4.1Å; E492-L498 HydrophobicContact CG-CD2 4.22Å
493L94.8Very high95.4Very high42 Ų4237.2 Ų37.222%0.2219%0.186CC..  trans-96.6156.4176.6-63.5178000109.9N495 G496 K497 E499 E563L493-N495 VanDerWaalsContact CB-OD1 3.29Å; L493-N495 WeakPolarHBondContact CB-OD1 3.38Å; L493-N495 PolarHBondContact O-N 3.14Å; L493-G496 PolarHBondContact O-N 3.02Å; L493-K497 WeakPolarHBondContact CB-O 3.47Å; L493-K497 PolarHBondContact N-O 2.89Å; L493-E499 HydrophobicContact CD1-CB 4.18Å; L493-E499 HydrophobicContact CD2-CB 3.98Å; L493-E499 HydrophobicContact CG-CB 4.08Å; L493-E563 HydrophobicContact CD1-CG 4.17Å
494E92.6Very high95.9Very high212 Ų21236.6 Ų36.699%0.99118%0.182SC*.THydrogen-bonded Turntrans-56.2-23.9179.8-62.7180179.300113.9G496E494-G496 VanDerWaalsContact C-N 3.29Å; E494-G496 PolarHBondContact O-N 2.85Å
495N90.8Very high96.2Very high93 Ų9336 Ų3650%0.49718%0.179SC..THydrogen-bonded Turntrans-86.29.2178.465.18.6000114.1L493 K497L493-N495 VanDerWaalsContact CB-OD1 3.29Å; L493-N495 WeakPolarHBondContact CB-OD1 3.38Å; L493-N495 PolarHBondContact O-N 3.14Å; N495-K497 VanDerWaalsContact C-N 3.3Å; N495-K497 PolarHBondContact O-N 3.12Å; N495-K497 VanDerWaalsContact OD1-CB 3.3Å; N495-K497 WeakPolarHBondContact OD1-CB 3.49Å; N495-K497 PolarHBondContact OD1-N 2.77Å
496G91.1Very high96.4Very high36 Ų3635.9 Ų35.937%0.37118%0.178SC..SBendtrans74.315.5179.600000114.6L493 E494 H566L493-G496 PolarHBondContact O-N 3.02Å; E494-G496 VanDerWaalsContact C-N 3.29Å; E494-G496 PolarHBondContact O-N 2.85Å; G496-H566 PolarHBondContact O-CE1 2.65Å; G496-H566 PolarHBondContact O-ND1 2.72Å
497K95.8Very high96.5Very high68 Ų6835 Ų3530%0.29617%0.174SC..  trans-101.9169.9172.6-60.7172.7176.9172.90110.3L493 N495 E563 L571L493-K497 WeakPolarHBondContact CB-O 3.47Å; L493-K497 PolarHBondContact N-O 2.89Å; N495-K497 VanDerWaalsContact C-N 3.3Å; N495-K497 PolarHBondContact O-N 3.12Å; N495-K497 VanDerWaalsContact OD1-CB 3.3Å; N495-K497 WeakPolarHBondContact OD1-CB 3.49Å; N495-K497 PolarHBondContact OD1-N 2.77Å; K497-E563 HydrophobicContact CB-CG 4.37Å; K497-E563 HydrophobicContact CD-CG 4.02Å; K497-E563 WeakPolarHBondContact CD-OE1 3.45Å; K497-E563 WeakPolarHBondContact CE-OE1 3.4Å; K497-E563 IonicContact NZ-OE1 2.8Å; K497-E563 PolarHBondContact NZ-OE1 2.96Å; K497-L571 HydrophobicContact CD-CD1 3.67Å; K497-L571 VanDerWaalsContact CE-CD1 3.47Å; K497-L571 HydrophobicContact CG-CD1 4.4Å
498L97.3Very high96.4Very high16 Ų1635.2 Ų35.28%0.08418%0.175CC..EExtended strand (participates in β ladder)trans-107.4135179-60.1172.9000109.7R491 E492 E563 M564 L614R491-L498 CarbonylContact O-C 3.55Å; R491-L498 WeakPolarHBondContact O-CA 3.5Å; E492-L498 HydrophobicContact CB-CD2 4.1Å; E492-L498 HydrophobicContact CG-CD2 4.22Å; L498-E563 WeakPolarHBondContact O-CA 3.26Å; L498-M564 PolarHBondContact N-O 2.83Å; L498-M564 PolarHBondContact O-N 3.41Å; L498-L614 HydrophobicContact CD1-CD1 3.87Å; L498-L614 HydrophobicContact CD1-CD2 4.07Å; L498-L614 HydrophobicContact CD1-CG 4.22Å
499E98.1Very high96.3Very high25 Ų2538 Ų3812%0.11719%0.188CC..EExtended strand (participates in β ladder)trans-97.8123.9162.7-171.1-18070.100108.4H489 C490 R491 L493 I561 W562H489-E499 IonicContact NE2-OE1 2.98Å; C490-E499 WeakPolarHBondContact CA-O 3.02Å; R491-E499 HydrophobicContact CG-CB 3.98Å; R491-E499 IonicContact CZ-OE1 3.68Å; R491-E499 PolarHBondContact N-O 2.87Å; R491-E499 IonicContact NE-OE1 2.7Å; R491-E499 PolarHBondContact NE-OE1 2.89Å; R491-E499 IonicContact NH2-OE1 3.85Å; R491-E499 PolarHBondContact NH2-OE1 3.23Å; R491-E499 IonicContact NH2-OE2 3.39Å; R491-E499 PolarHBondContact O-N 2.94Å; L493-E499 HydrophobicContact CD1-CB 4.18Å; L493-E499 HydrophobicContact CD2-CB 3.98Å; L493-E499 HydrophobicContact CG-CB 4.08Å; E499-I561 HydrophobicContact CG-CG2 3.49Å; E499-I561 VanDerWaalsContact CG-CG2 3.49Å; E499-W562 WeakPolarHBondContact CA-O 3.47Å
500V98.4Very high96.1Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-119.9130.7178.4-178.90000108.7H489 C490 I561 W562 M564 L611 L614 F664H489-V500 WeakPolarHBondContact O-CA 3.43Å; C490-V500 HydrophobicContact CB-CG2 4.41Å; V500-I561 CarbonylContact O-C 3.31Å; V500-I561 WeakPolarHBondContact O-CA 3.21Å; V500-W562 HydrophobicContact CB-CE3 4.48Å; V500-W562 HydrophobicContact CG1-CE3 4.35Å; V500-W562 PolarHBondContact N-O 2.96Å; V500-W562 PolarHBondContact O-N 3.03Å; V500-M564 HydrophobicContact CB-SD 4.3Å; V500-M564 HydrophobicContact CG2-SD 4.01Å; V500-L611 HydrophobicContact CG1-CD2 3.76Å; V500-L614 HydrophobicContact CG2-CD1 3.65Å; V500-F664 HydrophobicContact CG1-CD1 3.95Å; V500-F664 HydrophobicContact CG1-CE1 3.59Å; V500-F664 HydrophobicContact CG1-CZ 4.19Å
501G98.2Very high96.1Very high0 Ų038.4 Ų38.40%019%0.188CC..EExtended strand (participates in β ladder)trans-124.7135.9178.100000113L488 H489 C560L488-G501 WeakPolarHBondContact CA-O 3.26Å; H489-G501 VanDerWaalsContact CE1-CA 3.43Å; H489-G501 WeakPolarHBondContact CE1-CA 3.23Å; H489-G501 PolarHBondContact CE1-N 3.23Å; H489-G501 PolarHBondContact N-O 2.93Å; H489-G501 WeakPolarHBondContact ND1-CA 3.34Å; H489-G501 PolarHBondContact O-N 3.46Å; G501-C560 WeakPolarHBondContact CA-O 3.46Å
502V98.5Very high96.1Very high0 Ų039 Ų390%019%0.19CC..EExtended strand (participates in β ladder)trans-107.6121.5162.6168.40000107.6L488 I504 S559 C560 W562 F664 M665 A668L488-V502 HydrophobicContact CD2-CB 4.49Å; L488-V502 HydrophobicContact CD2-CG2 3.53Å; V502-I504 HydrophobicContact CG1-CD1 3.52Å; V502-I504 HydrophobicContact CG1-CG1 3.96Å; V502-S559 WeakPolarHBondContact O-CA 3.15Å; V502-C560 PolarHBondContact N-O 2.77Å; V502-C560 PolarHBondContact O-N 3.43Å; V502-W562 HydrophobicContact CB-CH2 4.2Å; V502-W562 HydrophobicContact CB-CZ3 4.05Å; V502-W562 HydrophobicContact CG2-CH2 3.9Å; V502-W562 HydrophobicContact CG2-CZ3 3.63Å; V502-F664 HydrophobicContact CG2-CB 3.98Å; V502-M665 HydrophobicContact CG1-CE 3.77Å; V502-M665 HydrophobicContact CG1-SD 4.14Å; V502-M665 HydrophobicContact CG2-CE 4.04Å; V502-A668 HydrophobicContact CB-CB 4.37Å; V502-A668 HydrophobicContact CG1-CB 4.05Å; V502-A668 HydrophobicContact CG2-CB 4.46Å
503H98.5Very high96.1Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-113.2116.7-178.3-50.1-78.9000108.8D486 A487 H489 L549 A557 S559 I580D486-H503 CarbonylContact C-O 3.58Å; D486-H503 WeakPolarHBondContact CA-O 3.02Å; A487-H503 HydrophobicContact CB-CB 4.43Å; A487-H503 PolarHBondContact N-O 2.97Å; A487-H503 PolarHBondContact O-CD2 3.26Å; A487-H503 PolarHBondContact O-N 3.32Å; H489-H503 AromaticContact CE1-CE1 3.9Å; H489-H503 AromaticContact CE1-NE2 3.57Å; H489-H503 AromaticContact CG-NE2 3.92Å; H489-H503 AromaticContact ND1-CD2 3.96Å; H489-H503 AromaticContact ND1-CE1 3.59Å; H489-H503 AromaticContact ND1-NE2 2.83Å; H489-H503 PolarHBondContact ND1-NE2 3.09Å; H503-L549 WeakPolarHBondContact O-CD1 3.37Å; H503-A557 HydrophobicContact CB-CB 4.16Å; H503-S559 PolarHBondContact ND1-OG 3.35Å; H503-I580 HydrophobicContact CB-CD1 3.81Å
504I98.5Very high96Very high0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans-109.2138.4-177.6-54-56000110D485 D486 V502 D506 A557 F558 M665 F773 T774 P776D485-I504 CarbonylContact O-C 3.57Å; D485-I504 VanDerWaalsContact O-CA 3.31Å; D485-I504 WeakPolarHBondContact O-CA 3.13Å; D486-I504 HydrophobicContact CB-CD1 3.66Å; V502-I504 HydrophobicContact CG1-CD1 3.52Å; V502-I504 HydrophobicContact CG1-CG1 3.96Å; I504-D506 PolarHBondContact O-N 2.85Å; I504-A557 CarbonylContact O-C 3.58Å; I504-A557 WeakPolarHBondContact O-CA 3.24Å; I504-A557 WeakPolarHBondContact O-CB 3.12Å; I504-F558 PolarHBondContact N-O 3.34Å; I504-F558 PolarHBondContact O-N 3.29Å; I504-M665 HydrophobicContact CD1-SD 4.21Å; I504-F773 HydrophobicContact CB-CE1 4.15Å; I504-F773 HydrophobicContact CB-CZ 4.38Å; I504-F773 HydrophobicContact CG1-CD1 3.94Å; I504-F773 HydrophobicContact CG1-CE1 3.51Å; I504-F773 HydrophobicContact CG1-CZ 4.22Å; I504-T774 HydrophobicContact CD1-CG2 4.06Å; I504-P776 VanDerWaalsContact CG2-CD 3.42Å; I504-P776 HydrophobicContact CG2-CG 3.87Å
505A97.8Very high96.1Very high0 Ų026.1 Ų26.10%015%0.146CC..EExtended strand (participates in β ladder)trans-48127.5175.500000112.1D485 V507 C547 L549 P776 I777D485-A505 PolarHBondContact O-N 2.71Å; A505-V507 VanDerWaalsContact C-N 3.33Å; A505-V507 HydrophobicContact CB-CG2 4.36Å; A505-V507 PolarHBondContact O-N 2.87Å; A505-C547 HydrophobicContact CB-CB 4.35Å; A505-C547 VanDerWaalsContact CB-O 3.23Å; A505-C547 WeakPolarHBondContact CB-O 3.5Å; A505-L549 HydrophobicContact CB-CG 4.36Å; A505-P776 WeakPolarHBondContact O-CG 3.29Å; A505-I777 HydrophobicContact CB-CD1 4.03Å; A505-I777 HydrophobicContact CB-CG1 4.29Å
506D97Very high96.2Very high1 Ų123 Ų231%0.00513%0.133CC..  trans-86.370.1-177.5-172.68000112.9R465 I504 S508 H509 F556 K577R465-D506 IonicContact CZ-OD2 3.23Å; R465-D506 IonicContact NH1-OD2 2.87Å; R465-D506 PolarHBondContact NH1-OD2 3.23Å; R465-D506 IonicContact NH2-OD2 2.92Å; R465-D506 PolarHBondContact NH2-OD2 2.91Å; I504-D506 PolarHBondContact O-N 2.85Å; D506-S508 VanDerWaalsContact C-N 3.3Å; D506-S508 PolarHBondContact O-N 3.49Å; D506-S508 PolarHBondContact OD1-OG 2.95Å; D506-H509 PolarHBondContact O-N 3.17Å; D506-H509 PolarHBondContact OD1-N 3.04Å; D506-F556 HydrophobicContact CB-CB 3.82Å; D506-F556 PolarHBondContact N-O 2.83Å; D506-F556 VanDerWaalsContact N-O 3.08Å; D506-K577 IonicContact OD1-NZ 3.61Å; D506-K577 PolarHBondContact OD1-NZ 3.32Å; D506-K577 WeakPolarHBondContact OD2-CD 3.34Å; D506-K577 IonicContact OD2-NZ 3.5Å; D506-K577 PolarHBondContact OD2-NZ 3.02Å; D506-K577 VanDerWaalsContact OD2-NZ 3.12Å
507V96.8Very high96.5Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-68.6-28.8-178.6-178.40000112.2A505 H509 F510 I511 C547 P776 I777 I783A505-V507 VanDerWaalsContact C-N 3.33Å; A505-V507 HydrophobicContact CB-CG2 4.36Å; A505-V507 PolarHBondContact O-N 2.87Å; V507-H509 PolarHBondContact O-N 3.34Å; V507-F510 PolarHBondContact O-N 3.32Å; V507-F510 VanDerWaalsContact O-N 3.08Å; V507-I511 HydrophobicContact CG1-CD1 3.57Å; V507-I511 HydrophobicContact CG1-CG1 3.92Å; V507-I511 PolarHBondContact O-N 3.14Å; V507-C547 HydrophobicContact CG2-CB 3.94Å; V507-P776 HydrophobicContact CB-CB 3.98Å; V507-P776 HydrophobicContact CB-CG 4.19Å; V507-P776 HydrophobicContact CG2-CB 3.95Å; V507-P776 HydrophobicContact CG2-CG 3.75Å; V507-I777 HydrophobicContact CG2-CG1 3.66Å; V507-I783 HydrophobicContact CG1-CD1 3.99Å; V507-I783 HydrophobicContact CG1-CG1 4.26Å
508S95.4Very high96.5Very high3 Ų318.7 Ų18.72%0.02111%0.105CC..Hα-helixtrans-68.5-16.8-178700000113.7D506 K577D506-S508 VanDerWaalsContact C-N 3.3Å; D506-S508 PolarHBondContact O-N 3.49Å; D506-S508 PolarHBondContact OD1-OG 2.95Å; S508-K577 PolarHBondContact OG-NZ 3.13Å
509H94.8Very high96.4Very high61 Ų6124.4 Ų24.428%0.28213%0.129SC..Hα-helixtrans-65.6-45.1168.9178.879.4000112D461 R465 D506 V507 F556D461-H509 IonicContact OD1-CE1 3.9Å; R465-H509 PolarHBondContact NH2-ND1 3.5Å; D506-H509 PolarHBondContact O-N 3.17Å; D506-H509 PolarHBondContact OD1-N 3.04Å; V507-H509 PolarHBondContact O-N 3.34Å; H509-F556 AromaticContact CD2-CD2 3.69Å; H509-F556 AromaticContact CD2-CE2 3.7Å; H509-F556 AromaticContact NE2-CD2 3.99Å; H509-F556 AromaticContact NE2-CE2 3.49Å; H509-F556 WeakPolarHBondContact NE2-CE2 3.42Å
510F95.6Very high96.3Very high22 Ų2225.3 Ų25.310%0.09613%0.134CC..Hα-helixtrans-81.1-34.3-178.1-59.9-77.7000112.7P451 W455 V507 R512 L542 L546 C547 F556P451-F510 HydrophobicContact CG-CD1 4.16Å; P451-F510 HydrophobicContact CG-CE1 4.33Å; W455-F510 AromaticContact CE2-CE1 3.92Å; W455-F510 HydrophobicContact CH2-CZ 4.16Å; W455-F510 AromaticContact CZ2-CE1 3.99Å; W455-F510 HydrophobicContact CZ2-CE1 3.99Å; W455-F510 AromaticContact CZ2-CZ 3.73Å; W455-F510 HydrophobicContact CZ2-CZ 3.73Å; W455-F510 AromaticContact NE1-CE1 3.91Å; V507-F510 PolarHBondContact O-N 3.32Å; V507-F510 VanDerWaalsContact O-N 3.08Å; F510-R512 PolarHBondContact O-N 3.3Å; F510-L542 HydrophobicContact CB-CD1 4.43Å; F510-L542 HydrophobicContact CB-CD2 3.92Å; F510-L542 HydrophobicContact CD1-CD2 4.18Å; F510-L542 HydrophobicContact CD2-CD2 4.47Å; F510-L542 HydrophobicContact CG-CD2 3.94Å; F510-L546 HydrophobicContact CZ-CB 4.42Å; F510-C547 VanDerWaalsContact CD2-SG 3.55Å; F510-F556 HydrophobicContact CE2-CD2 4.47Å; F510-F556 HydrophobicContact CZ-CD2 4.24Å
511I96.8Very high96.3Very high0 Ų025.3 Ų25.30%013%0.134CC..SBendtrans-98.992-178.4-51.9-171.4000109.7V507 L517 D518 V538 L542 I783 R787V507-I511 HydrophobicContact CG1-CD1 3.57Å; V507-I511 HydrophobicContact CG1-CG1 3.92Å; V507-I511 PolarHBondContact O-N 3.14Å; I511-L517 HydrophobicContact CD1-CD2 4.4Å; I511-L517 HydrophobicContact CD1-CG 4.29Å; I511-L517 HydrophobicContact CG1-CD2 3.87Å; I511-L517 HydrophobicContact CG1-CG 4.15Å; I511-L517 HydrophobicContact CG2-CG 4.31Å; I511-D518 HydrophobicContact CG2-CB 3.9Å; I511-V538 HydrophobicContact CD1-CB 4.43Å; I511-V538 HydrophobicContact CD1-CG1 3.57Å; I511-L542 HydrophobicContact CG1-CD1 4.36Å; I511-I783 HydrophobicContact CD1-CD1 3.99Å; I511-R787 PolarHBondContact O-NH2 3.33Å
512R95.8Very high96.2Very high108 Ų10826.2 Ų26.241%0.40814%0.141SC..  trans-81142.7176.6-56.7-58.4-74.4169.2-4.7111.8F510 N515 D518 D796F510-R512 PolarHBondContact O-N 3.3Å; R512-N515 PolarHBondContact O-ND2 3.41Å; R512-N515 PolarHBondContact O-OD1 3.15Å; R512-D518 WeakPolarHBondContact O-CB 3.38Å; R512-D796 IonicContact CZ-OD1 3.15Å; R512-D796 IonicContact CZ-OD2 2.76Å; R512-D796 IonicContact NH1-OD1 2.68Å; R512-D796 IonicContact NH1-OD2 3.68Å; R512-D796 PolarHBondContact NH1-OD2 3.13Å; R512-D796 IonicContact NH2-OD1 2.66Å; R512-D796 PolarHBondContact NH2-OD1 3.25Å; R512-D796 IonicContact NH2-OD2 3.59Å; R512-D796 PolarHBondContact NH2-OD2 3.35Å
513P95.2Very high96Very high47 Ų4728.4 Ų28.431%0.30515%0.152SC..THydrogen-bonded Turntrans-62.3142.1-173.926.6-36.2000112.9N515 D518 Y799P513-N515 VanDerWaalsContact C-N 3.3Å; P513-N515 PolarHBondContact O-N 2.95Å; P513-D518 WeakPolarHBondContact CA-OD2 3.35Å; P513-Y799 HydrophobicContact CB-CD1 4.2Å; P513-Y799 HydrophobicContact CB-CD2 4.38Å; P513-Y799 HydrophobicContact CB-CE1 3.68Å; P513-Y799 HydrophobicContact CB-CE2 3.89Å; P513-Y799 HydrophobicContact CG-CD1 3.78Å; P513-Y799 HydrophobicContact CG-CE1 3.59Å; P513-Y799 HydrophobicContact CG-CG 4.32Å
514G92.6Very high95.9Very high45 Ų4529.1 Ų29.146%0.46416%0.155SC..THydrogen-bonded Turntrans83.3-10.1171.600000116.1D518 K519G514-D518 PolarHBondContact N-OD2 2.89Å; G514-K519 VanDerWaalsContact O-CE 3.22Å; G514-K519 WeakPolarHBondContact O-CE 3.37Å; G514-K519 PolarHBondContact O-NZ 2.93Å
515N94.4Very high95.8Very high24 Ų2429.3 Ų29.313%0.12816%0.158CC..SBendtrans-74175174.375.712.7000111.8F449 R512 P513 L517 D518 K519F449-N515 HydrophobicContact CD1-CB 4.18Å; F449-N515 HydrophobicContact CD2-CB 4.19Å; F449-N515 HydrophobicContact CE1-CB 4.05Å; F449-N515 HydrophobicContact CE2-CB 4.08Å; F449-N515 HydrophobicContact CG-CB 4.26Å; F449-N515 HydrophobicContact CZ-CB 4Å; R512-N515 PolarHBondContact O-ND2 3.41Å; R512-N515 PolarHBondContact O-OD1 3.15Å; P513-N515 VanDerWaalsContact C-N 3.3Å; P513-N515 PolarHBondContact O-N 2.95Å; N515-L517 PolarHBondContact OD1-N 3.33Å; N515-D518 WeakPolarHBondContact OD1-CB 3.49Å; N515-D518 PolarHBondContact OD1-N 3.25Å; N515-K519 WeakPolarHBondContact O-CG 3.43Å; N515-K519 PolarHBondContact O-N 3.42Å
516A93.9Very high95.7Very high27 Ų2730.3 Ų30.322%0.22316%0.163CC..Hα-helixtrans-67.2-37.4-178.200000112.4A445 V446 F449 K519 E520A445-A516 HydrophobicContact CB-CB 4.3Å; V446-A516 HydrophobicContact CG2-CB 4.14Å; F449-A516 HydrophobicContact CD2-CB 3.89Å; F449-A516 HydrophobicContact CE2-CB 3.67Å; A516-K519 PolarHBondContact O-N 3.18Å; A516-E520 WeakPolarHBondContact O-CB 3.23Å; A516-E520 PolarHBondContact O-N 2.87Å
517L96.4Very high95.6Very high2 Ų230.5 Ų30.51%0.0117%0.165CC..Hα-helixtrans-62.9-41.8178.2176.760.9000112.3V446 F449 L450 I511 N515 E520 A521 P539 L542V446-L517 HydrophobicContact CG1-CB 4.17Å; V446-L517 HydrophobicContact CG1-CD1 3.6Å; V446-L517 HydrophobicContact CG1-CG 4.48Å; F449-L517 HydrophobicContact CB-CB 4.36Å; L450-L517 HydrophobicContact CD2-CD2 4.39Å; I511-L517 HydrophobicContact CD1-CD2 4.4Å; I511-L517 HydrophobicContact CD1-CG 4.29Å; I511-L517 HydrophobicContact CG1-CD2 3.87Å; I511-L517 HydrophobicContact CG1-CG 4.15Å; I511-L517 HydrophobicContact CG2-CG 4.31Å; N515-L517 PolarHBondContact OD1-N 3.33Å; L517-E520 PolarHBondContact O-N 3.12Å; L517-A521 WeakPolarHBondContact O-CB 3.42Å; L517-A521 PolarHBondContact O-N 3.29Å; L517-P539 VanDerWaalsContact CD1-CD 3.45Å; L517-P539 HydrophobicContact CD1-CG 3.94Å; L517-L542 HydrophobicContact CD2-CD1 3.75Å
518D97.4Very high95.5Very high12 Ų1230.8 Ų30.86%0.06417%0.166CC..Hα-helixtrans-64.4-45.3175.7-177.960.4000111.8I511 R512 P513 G514 N515 E520 A521 A522 Y780 R787I511-D518 HydrophobicContact CG2-CB 3.9Å; R512-D518 WeakPolarHBondContact O-CB 3.38Å; P513-D518 WeakPolarHBondContact CA-OD2 3.35Å; G514-D518 PolarHBondContact N-OD2 2.89Å; N515-D518 WeakPolarHBondContact OD1-CB 3.49Å; N515-D518 PolarHBondContact OD1-N 3.25Å; D518-E520 VanDerWaalsContact C-N 3.33Å; D518-E520 PolarHBondContact O-N 3.45Å; D518-A521 PolarHBondContact O-N 3.04Å; D518-A522 VanDerWaalsContact O-CB 3.29Å; D518-A522 WeakPolarHBondContact O-CB 3.39Å; D518-A522 PolarHBondContact O-N 2.78Å; D518-Y780 WeakPolarHBondContact OD1-CE2 3.43Å; D518-Y780 PolarHBondContact OD1-OH 2.75Å; D518-R787 IonicContact OD1-CZ 3.12Å; D518-R787 IonicContact OD1-NH1 2.75Å; D518-R787 PolarHBondContact OD1-NH1 3.33Å; D518-R787 IonicContact OD1-NH2 2.75Å; D518-R787 PolarHBondContact OD1-NH2 2.99Å; D518-R787 IonicContact OD2-NH1 3.87Å
519K95.3Very high95.2Very high136 Ų13634 Ų3459%0.59118%0.179SC*.Hα-helixtrans-63-40.1176.7-72171.7-177164.70112G514 N515 A516 N523G514-K519 VanDerWaalsContact O-CE 3.22Å; G514-K519 WeakPolarHBondContact O-CE 3.37Å; G514-K519 PolarHBondContact O-NZ 2.93Å; N515-K519 WeakPolarHBondContact O-CG 3.43Å; N515-K519 PolarHBondContact O-N 3.42Å; A516-K519 PolarHBondContact O-N 3.18Å; K519-N523 WeakPolarHBondContact O-CB 3.35Å; K519-N523 PolarHBondContact O-N 3.4Å
520E95.7Very high95Very high44 Ų4432 Ų3221%0.20617%0.17CC..Hα-helixtrans-69.7-43.4177.4-175.657.7-16400111.6F442 V446 A516 L517 D518 A522 N523 R524F442-E520 HydrophobicContact CD1-CG 3.91Å; F442-E520 HydrophobicContact CE1-CG 4.03Å; V446-E520 HydrophobicContact CG2-CB 3.89Å; V446-E520 HydrophobicContact CG2-CG 4.24Å; A516-E520 WeakPolarHBondContact O-CB 3.23Å; A516-E520 PolarHBondContact O-N 2.87Å; L517-E520 PolarHBondContact O-N 3.12Å; D518-E520 VanDerWaalsContact C-N 3.33Å; D518-E520 PolarHBondContact O-N 3.45Å; E520-A522 VanDerWaalsContact C-N 3.32Å; E520-A522 PolarHBondContact O-N 2.87Å; E520-N523 WeakPolarHBondContact O-CB 3.1Å; E520-N523 PolarHBondContact O-N 2.97Å; E520-N523 VanDerWaalsContact O-N 3.16Å; E520-R524 PolarHBondContact O-N 2.99Å; E520-R524 IonicContact OE1-CZ 3.42Å; E520-R524 IonicContact OE1-NE 2.77Å; E520-R524 PolarHBondContact OE1-NE 3.3Å; E520-R524 IonicContact OE1-NH2 3.89Å; E520-R524 PolarHBondContact OE1-NH2 3.3Å
521A97.1Very high94.5Very high0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-61.3-40.1174.200000111.8L517 D518 G525 M537 V538 Y780L517-A521 WeakPolarHBondContact O-CB 3.42Å; L517-A521 PolarHBondContact O-N 3.29Å; D518-A521 PolarHBondContact O-N 3.04Å; A521-G525 WeakPolarHBondContact O-CA 3.26Å; A521-G525 PolarHBondContact O-N 3.31Å; A521-M537 HydrophobicContact CB-CG 4.22Å; A521-V538 HydrophobicContact CB-CG1 4.44Å; A521-Y780 HydrophobicContact CB-CD2 3.83Å; A521-Y780 HydrophobicContact CB-CE2 4.19Å
522A96.7Very high93.5Very high18 Ų1834.9 Ų34.915%0.14920%0.201CC..Hα-helixtrans-66.7-37.2174.100000112.6D518 E520 Y780 N814D518-A522 VanDerWaalsContact O-CB 3.29Å; D518-A522 WeakPolarHBondContact O-CB 3.39Å; D518-A522 PolarHBondContact O-N 2.78Å; E520-A522 VanDerWaalsContact C-N 3.32Å; E520-A522 PolarHBondContact O-N 2.87Å; A522-Y780 HydrophobicContact CB-CD1 4.03Å; A522-Y780 HydrophobicContact CB-CD2 4.34Å; A522-Y780 HydrophobicContact CB-CE1 3.6Å; A522-Y780 HydrophobicContact CB-CE2 3.98Å; A522-Y780 HydrophobicContact CB-CG 4.37Å; A522-N814 PolarHBondContact O-ND2 2.7Å
523N94.6Very high93Very high46 Ų4635 Ų3525%0.24620%0.204CC..Hα-helixtrans-66.1-46.1176.8-178.739.6000111.3K519 E520 R818K519-N523 WeakPolarHBondContact O-CB 3.35Å; K519-N523 PolarHBondContact O-N 3.4Å; E520-N523 WeakPolarHBondContact O-CB 3.1Å; E520-N523 PolarHBondContact O-N 2.97Å; E520-N523 VanDerWaalsContact O-N 3.16Å; N523-R818 PolarHBondContact O-NE 2.76Å; N523-R818 PolarHBondContact O-NH2 3.28Å; N523-R818 PolarHBondContact OD1-NH2 3.29Å; N523-R818 VanDerWaalsContact OD1-NH2 3.09Å
524R96.2Very high92.8Very high15 Ų1535.8 Ų35.86%0.05720%0.201CC..Hα-helixtrans-68.9-41.8175.7-66.1-176.2-171.3-144.3-6.1111.8P438 Q440 F442 E520 T526 D536 M537P438-R524 HydrophobicContact CB-CG 4.35Å; Q440-R524 PolarHBondContact O-NH2 3.41Å; F442-R524 VanDerWaalsContact CZ-CZ 3.48Å; E520-R524 PolarHBondContact O-N 2.99Å; E520-R524 IonicContact OE1-CZ 3.42Å; E520-R524 IonicContact OE1-NE 2.77Å; E520-R524 PolarHBondContact OE1-NE 3.3Å; E520-R524 IonicContact OE1-NH2 3.89Å; E520-R524 PolarHBondContact OE1-NH2 3.3Å; R524-T526 PolarHBondContact O-N 3.38Å; R524-D536 VanDerWaalsContact CD-O 3.31Å; R524-D536 WeakPolarHBondContact CD-O 3.47Å; R524-D536 PolarHBondContact NH1-O 3.15Å; R524-M537 HydrophobicContact CB-CG 4.19Å
525G96.2Very high92.9Very high5 Ų534.4 Ų34.45%0.05218%0.182CC..  trans72.6-37.4174.500000115.5A521 Y780A521-G525 WeakPolarHBondContact O-CA 3.26Å; A521-G525 PolarHBondContact O-N 3.31Å; G525-Y780 PolarHBondContact O-N 3.07Å
526T95.4Very high92.9Very high20 Ų2034.3 Ų34.312%0.12318%0.182CC..BIsolated β-bridgetrans-151.1149.1178.1-169.70000110.8R524 R778R524-T526 PolarHBondContact O-N 3.38Å; T526-R778 CarbonylContact C-O 3.42Å; T526-R778 VanDerWaalsContact CA-O 3.22Å; T526-R778 WeakPolarHBondContact CA-O 3.31Å; T526-R778 PolarHBondContact OG1-O 3.21Å
527T95.6Very high93Very high5 Ų533 Ų333%0.03117%0.172CC..  trans-70.7137.9166.8-66.20000109.4Y529 R534 I535 M537 R778T527-Y529 HydrophobicContact CG2-CD2 4.33Å; T527-Y529 HydrophobicContact CG2-CE1 4.31Å; T527-Y529 HydrophobicContact CG2-CE2 3.79Å; T527-R534 HydrophobicContact CG2-CG 3.51Å; T527-I535 WeakPolarHBondContact CA-O 3.32Å; T527-I535 WeakPolarHBondContact CG2-O 3.41Å; T527-M537 WeakPolarHBondContact OG1-CB 3.49Å; T527-M537 PolarHBondContact OG1-N 3.02Å; T527-R778 PolarHBondContact N-O 3.1Å
528V95.1Very high93Very high6 Ų633 Ų334%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-107.4123-179.5-173.70000109.6V437 L530 R534 I535 A825V437-V528 HydrophobicContact CG1-CB 4.18Å; V437-V528 HydrophobicContact CG1-CG1 4.49Å; V437-V528 HydrophobicContact CG1-CG2 3.6Å; V437-V528 HydrophobicContact CG2-CG2 4.36Å; V528-L530 HydrophobicContact CG1-CD2 4Å; V528-R534 WeakPolarHBondContact O-CA 3.45Å; V528-I535 HydrophobicContact CB-CB 4.25Å; V528-I535 PolarHBondContact N-O 3.17Å; V528-I535 PolarHBondContact O-N 3.31Å; V528-A825 HydrophobicContact CG1-CB 4.25Å
529Y89.6Confident93Very high72 Ų7232.6 Ų32.628%0.28217%0.169SC..EExtended strand (participates in β ladder)trans-102.7120.3178.9-60.5-94.9000109.7D483 T527 R534 R778 Q826D483-Y529 PolarHBondContact OD2-OH 3.29Å; T527-Y529 HydrophobicContact CG2-CD2 4.33Å; T527-Y529 HydrophobicContact CG2-CE1 4.31Å; T527-Y529 HydrophobicContact CG2-CE2 3.79Å; Y529-R534 HydrophobicContact CD1-CG 3.78Å; Y529-R534 HydrophobicContact CE1-CG 3.74Å; Y529-R534 HydrophobicContact CG-CG 4.5Å; Y529-R778 WeakPolarHBondContact OH-CD 3.41Å; Y529-Q826 WeakPolarHBondContact O-CB 3.39Å; Y529-Q826 WeakPolarHBondContact O-CG 3.35Å
530L90.7Very high92.9Very high18 Ų1833 Ų339%0.09417%0.173CC..  trans-107174.1172.5-52.3-175.9000109.3L431 L432 V528 G532 K533 A825L431-L530 HydrophobicContact CD1-CD1 4.21Å; L431-L530 HydrophobicContact CD1-CD2 4.07Å; L432-L530 HydrophobicContact CD1-CD1 4.36Å; L432-L530 HydrophobicContact CD2-CD1 4.13Å; L432-L530 HydrophobicContact CG-CD1 4.3Å; V528-L530 HydrophobicContact CG1-CD2 4Å; L530-G532 VanDerWaalsContact C-N 3.29Å; L530-G532 PolarHBondContact O-N 2.82Å; L530-K533 WeakPolarHBondContact CA-O 3.44Å; L530-K533 HydrophobicContact CB-CB 4.48Å; L530-K533 WeakPolarHBondContact CB-O 3.42Å; L530-K533 PolarHBondContact N-O 3.41Å; L530-A825 HydrophobicContact CD2-CB 4.42Å
531C83.8Confident92.8Very high32 Ų3233.2 Ų33.222%0.21618%0.176CC..SBendtrans-65.8-26.5-176.4-63.70000114.5F637 S829 V830 H833C531-F637 HydrophobicContact CB-CD2 4.07Å; C531-F637 VanDerWaalsContact SG-CD2 3.52Å; C531-S829 PolarHBondContact N-OG 3.4Å; C531-V830 VanDerWaalsContact SG-CG2 3.59Å; C531-H833 HydrophobicContact CB-CB 4.32Å
532G76.6Confident92.7Very high51 Ų5133.3 Ų33.353%0.52618%0.176SC..SBendtrans-126.5-4177.800000115.3L530L530-G532 VanDerWaalsContact C-N 3.29Å; L530-G532 PolarHBondContact O-N 2.82Å
533K85.1Confident92.4Very high109 Ų10932.5 Ų32.547%0.47417%0.17SC..  trans-141.4147.5-171.3-168.1173.4-174.5175.10111.3L530 I535L530-K533 WeakPolarHBondContact CA-O 3.44Å; L530-K533 HydrophobicContact CB-CB 4.48Å; L530-K533 WeakPolarHBondContact CB-O 3.42Å; L530-K533 PolarHBondContact N-O 3.41Å; K533-I535 HydrophobicContact CD-CD1 3.93Å; K533-I535 HydrophobicContact CG-CD1 4.06Å
534R90.1Very high92.1Very high65 Ų6531.3 Ų31.325%0.24517%0.165CC..EExtended strand (participates in β ladder)trans-118.9129172-169.9-178.970.8-164.3-0.9108.5T482 D483 T527 V528 Y529 D536 S544T482-R534 PolarHBondContact OG1-NH1 3.28Å; D483-R534 IonicContact OD1-CZ 2.61Å; D483-R534 IonicContact OD1-NH1 3.9Å; D483-R534 PolarHBondContact OD1-NH1 3.06Å; D483-R534 IonicContact OD2-NH1 3.46Å; T527-R534 HydrophobicContact CG2-CG 3.51Å; V528-R534 WeakPolarHBondContact O-CA 3.45Å; Y529-R534 HydrophobicContact CD1-CG 3.78Å; Y529-R534 HydrophobicContact CE1-CG 3.74Å; Y529-R534 HydrophobicContact CG-CG 4.5Å; R534-D536 WeakPolarHBondContact CD-OD1 3.38Å; R534-D536 WeakPolarHBondContact CG-OD1 3.45Å; R534-D536 IonicContact CZ-OD1 3.52Å; R534-D536 IonicContact CZ-OD2 3.18Å; R534-D536 IonicContact NE-OD1 3.35Å; R534-D536 PolarHBondContact NE-OD1 3.47Å; R534-D536 IonicContact NE-OD2 2.68Å; R534-D536 IonicContact NH2-OD1 3.38Å; R534-D536 PolarHBondContact NH2-OD1 3.13Å; R534-D536 IonicContact NH2-OD2 3.54Å; R534-D536 PolarHBondContact NH2-OD2 3.33Å; R534-D536 VanDerWaalsContact NH2-OD2 3.14Å; R534-S544 PolarHBondContact NH2-OG 3.23Å
535I94.7Very high91.9Very high15 Ų1532.8 Ų32.88%0.07717%0.174CC..EExtended strand (participates in β ladder)trans-103.3101.2175.3-51.7-60.1000108L432 V437 P438 H439 T527 V528 K533L432-I535 HydrophobicContact CD1-CD1 4.25Å; L432-I535 HydrophobicContact CD1-CG1 4.42Å; L432-I535 HydrophobicContact CD2-CG1 4.08Å; V437-I535 HydrophobicContact CG1-CG2 4.5Å; P438-I535 WeakPolarHBondContact O-CG2 3.48Å; H439-I535 HydrophobicContact CB-CD1 4.21Å; H439-I535 HydrophobicContact CB-CG2 4.29Å; T527-I535 WeakPolarHBondContact CA-O 3.32Å; T527-I535 WeakPolarHBondContact CG2-O 3.41Å; V528-I535 HydrophobicContact CB-CB 4.25Å; V528-I535 PolarHBondContact N-O 3.17Å; V528-I535 PolarHBondContact O-N 3.31Å; K533-I535 HydrophobicContact CD-CD1 3.93Å; K533-I535 HydrophobicContact CG-CD1 4.06Å
536D95.2Very high91.8Very high23 Ų2332.7 Ų32.712%0.12317%0.172CC..  trans-71.3139.6-171-69.1-3.4000112.4R524 R534 V538 S543R524-D536 VanDerWaalsContact CD-O 3.31Å; R524-D536 WeakPolarHBondContact CD-O 3.47Å; R524-D536 PolarHBondContact NH1-O 3.15Å; R534-D536 WeakPolarHBondContact CD-OD1 3.38Å; R534-D536 WeakPolarHBondContact CG-OD1 3.45Å; R534-D536 IonicContact CZ-OD1 3.52Å; R534-D536 IonicContact CZ-OD2 3.18Å; R534-D536 IonicContact NE-OD1 3.35Å; R534-D536 PolarHBondContact NE-OD1 3.47Å; R534-D536 IonicContact NE-OD2 2.68Å; R534-D536 IonicContact NH2-OD1 3.38Å; R534-D536 PolarHBondContact NH2-OD1 3.13Å; R534-D536 IonicContact NH2-OD2 3.54Å; R534-D536 PolarHBondContact NH2-OD2 3.33Å; R534-D536 VanDerWaalsContact NH2-OD2 3.14Å; D536-V538 VanDerWaalsContact C-N 3.35Å; D536-V538 VanDerWaalsContact CB-O 3.22Å; D536-V538 WeakPolarHBondContact CB-O 3.43Å; D536-S543 PolarHBondContact OD2-OG 2.61Å
537M96.6Very high91.7Very high0 Ų031.9 Ų31.90%017%0.167CC..SBendtrans-70.5-33.6170.3-174.8-177.377.100112A521 R524 T527 P776 I777 Y780 I783A521-M537 HydrophobicContact CB-CG 4.22Å; R524-M537 HydrophobicContact CB-CG 4.19Å; T527-M537 WeakPolarHBondContact OG1-CB 3.49Å; T527-M537 PolarHBondContact OG1-N 3.02Å; M537-P776 WeakPolarHBondContact CE-O 3.33Å; M537-I777 WeakPolarHBondContact CE-O 3.44Å; M537-Y780 PolarHBondContact SD-N 2.81Å; M537-I783 HydrophobicContact CE-CD1 3.67Å
538V95.9Very high91.7Very high1 Ų131.7 Ų31.71%0.00617%0.166CC..SBendtrans-125.4153.7-177-56.20000110.1I511 A521 D536 L542 I777I511-V538 HydrophobicContact CD1-CB 4.43Å; I511-V538 HydrophobicContact CD1-CG1 3.57Å; A521-V538 HydrophobicContact CB-CG1 4.44Å; D536-V538 VanDerWaalsContact C-N 3.35Å; D536-V538 VanDerWaalsContact CB-O 3.22Å; D536-V538 WeakPolarHBondContact CB-O 3.43Å; V538-L542 HydrophobicContact CG2-CB 4.25Å; V538-I777 HydrophobicContact CG2-CG2 4.22Å
539P96.3Very high91.7Very high4 Ų431.5 Ų31.53%0.02617%0.165CC..  trans-56.4147.8-179.2-27.736.3000113.6F442 V446 L447 L450 L517 L541 L542 S543F442-P539 HydrophobicContact CD1-CG 4.03Å; F442-P539 HydrophobicContact CD2-CB 4.23Å; F442-P539 HydrophobicContact CD2-CG 4.05Å; F442-P539 HydrophobicContact CE1-CG 4.16Å; F442-P539 HydrophobicContact CE2-CB 4.29Å; F442-P539 HydrophobicContact CE2-CG 4.19Å; F442-P539 HydrophobicContact CG-CG 3.96Å; F442-P539 HydrophobicContact CZ-CG 4.23Å; V446-P539 HydrophobicContact CG1-CG 4.1Å; L447-P539 HydrophobicContact CD2-CB 4.43Å; L447-P539 HydrophobicContact CD2-CG 4.44Å; L450-P539 HydrophobicContact CD1-CB 4.02Å; L450-P539 HydrophobicContact CD1-CG 4.34Å; L450-P539 HydrophobicContact CD2-CB 4.2Å; L450-P539 HydrophobicContact CD2-CG 4.12Å; L517-P539 VanDerWaalsContact CD1-CD 3.45Å; L517-P539 HydrophobicContact CD1-CG 3.94Å; P539-L541 PolarHBondContact O-N 3.23Å; P539-L541 VanDerWaalsContact O-N 3.11Å; P539-L542 WeakPolarHBondContact O-CA 3.29Å; P539-L542 PolarHBondContact O-N 2.75Å; P539-S543 PolarHBondContact O-N 2.86Å
540E93.1Very high91.9Very high143 Ų14334 Ų3467%0.66817%0.174SC*.Hα-helixtrans-53.2-36.7-175.6-170.3-178.4171.300113.3L542 S543 S544E540-L542 VanDerWaalsContact C-N 3.26Å; E540-L542 PolarHBondContact O-N 2.87Å; E540-S543 WeakPolarHBondContact CA-OG 3.41Å; E540-S543 PolarHBondContact O-N 3.45Å; E540-S543 PolarHBondContact O-OG 2.98Å; E540-S544 PolarHBondContact O-N 2.8Å
541L94.4Very high92Very high50 Ų5035.3 Ų35.326%0.26219%0.185SC..Iπ-helixtrans-57.8-37.4176-178.562000112.5L450 M453 P539 N545 L546L450-L541 HydrophobicContact CB-CD2 4.32Å; L450-L541 HydrophobicContact CD1-CB 4.48Å; L450-L541 HydrophobicContact CD1-CD2 4.21Å; M453-L541 HydrophobicContact CE-CD1 4.46Å; M453-L541 HydrophobicContact CG-CD1 4.2Å; M453-L541 HydrophobicContact CG-CD2 4.24Å; M453-L541 HydrophobicContact SD-CD1 4.02Å; P539-L541 PolarHBondContact O-N 3.23Å; P539-L541 VanDerWaalsContact O-N 3.11Å; L541-N545 WeakPolarHBondContact O-CB 3.37Å; L541-L546 HydrophobicContact CD1-CD1 4.37Å; L541-L546 HydrophobicContact CD1-CG 4.38Å; L541-L546 HydrophobicContact CD2-CD1 4.41Å; L541-L546 HydrophobicContact CG-CD1 3.98Å; L541-L546 HydrophobicContact CG-CG 4.38Å; L541-L546 WeakPolarHBondContact O-CG 3.48Å; L541-L546 PolarHBondContact O-N 3.48Å
542L94Very high92.5Very high1 Ų139.2 Ų39.21%0.00520%0.203CC..Iπ-helixtrans-80.9-49.2174.8-66.6178.6000111L450 F510 I511 L517 V538 P539 E540 L546 C547L450-L542 HydrophobicContact CD2-CD1 3.6Å; L450-L542 HydrophobicContact CD2-CD2 4.27Å; L450-L542 HydrophobicContact CD2-CG 3.63Å; F510-L542 HydrophobicContact CB-CD1 4.43Å; F510-L542 HydrophobicContact CB-CD2 3.92Å; F510-L542 HydrophobicContact CD1-CD2 4.18Å; F510-L542 HydrophobicContact CD2-CD2 4.47Å; F510-L542 HydrophobicContact CG-CD2 3.94Å; I511-L542 HydrophobicContact CG1-CD1 4.36Å; L517-L542 HydrophobicContact CD2-CD1 3.75Å; V538-L542 HydrophobicContact CG2-CB 4.25Å; P539-L542 WeakPolarHBondContact O-CA 3.29Å; P539-L542 PolarHBondContact O-N 2.75Å; E540-L542 VanDerWaalsContact C-N 3.26Å; E540-L542 PolarHBondContact O-N 2.87Å; L542-L546 HydrophobicContact CD2-CB 4.24Å; L542-L546 HydrophobicContact CD2-CD1 4.02Å; L542-C547 WeakPolarHBondContact O-CB 3.45Å; L542-C547 PolarHBondContact O-N 3.18Å
543S90.9Very high93.3Very high2 Ų239.2 Ų39.21%0.01419%0.193CC..Iπ-helixtrans-64.9-46.1-172.265.10000112.9D536 P539 E540 S548D536-S543 PolarHBondContact OD2-OG 2.61Å; P539-S543 PolarHBondContact O-N 2.86Å; E540-S543 WeakPolarHBondContact CA-OG 3.41Å; E540-S543 PolarHBondContact O-N 3.45Å; E540-S543 PolarHBondContact O-OG 2.98Å; S543-S548 WeakPolarHBondContact O-CB 3.4Å
544S89.1Confident93.8Very high21 Ų2137.4 Ų37.415%0.14719%0.186CC..Iπ-helixtrans-104-9.6-168.1-55.40000113.4R534 E540R534-S544 PolarHBondContact NH2-OG 3.23Å; E540-S544 PolarHBondContact O-N 2.8Å
545N91.9Very high94.1Very high46 Ų4635.2 Ų35.225%0.24618%0.178CC..Iπ-helixtrans-125.5-70.7-178.6-172.6-6.8000113.6L541 R555L541-N545 WeakPolarHBondContact O-CB 3.37Å; N545-R555 PolarHBondContact O-NE 3.18Å; N545-R555 PolarHBondContact O-NH2 2.85Å; N545-R555 PolarHBondContact OD1-NH2 2.83Å
546L93.1Very high94.2Very high3 Ų334.7 Ų34.72%0.01618%0.175CC..Iπ-helixtrans-74.2-36.9-166-65.2178.6000113.9P451 M453 W455 F510 L541 L542 R555P451-L546 HydrophobicContact CG-CD1 3.31Å; M453-L546 HydrophobicContact SD-CD2 4.23Å; W455-L546 HydrophobicContact CB-CD2 3.86Å; W455-L546 HydrophobicContact CD2-CD2 3.99Å; W455-L546 HydrophobicContact CE3-CD2 3.8Å; W455-L546 HydrophobicContact CG-CD2 4.04Å; F510-L546 HydrophobicContact CZ-CB 4.42Å; L541-L546 HydrophobicContact CD1-CD1 4.37Å; L541-L546 HydrophobicContact CD1-CG 4.38Å; L541-L546 HydrophobicContact CD2-CD1 4.41Å; L541-L546 HydrophobicContact CG-CD1 3.98Å; L541-L546 HydrophobicContact CG-CG 4.38Å; L541-L546 WeakPolarHBondContact O-CG 3.48Å; L541-L546 PolarHBondContact O-N 3.48Å; L542-L546 HydrophobicContact CD2-CB 4.24Å; L542-L546 HydrophobicContact CD2-CD1 4.02Å; L546-R555 WeakPolarHBondContact O-CD 3.43Å; L546-R555 PolarHBondContact O-NE 2.86Å
547C94.3Very high94.4Very high3 Ų333.6 Ų33.62%0.0217%0.169CC..SBendtrans-91.6-32.6178.7-59.20000112.3A505 V507 F510 L542 L549 I777A505-C547 HydrophobicContact CB-CB 4.35Å; A505-C547 VanDerWaalsContact CB-O 3.23Å; A505-C547 WeakPolarHBondContact CB-O 3.5Å; V507-C547 HydrophobicContact CG2-CB 3.94Å; F510-C547 VanDerWaalsContact CD2-SG 3.55Å; L542-C547 WeakPolarHBondContact O-CB 3.45Å; L542-C547 PolarHBondContact O-N 3.18Å; C547-L549 PolarHBondContact O-N 3.18Å; C547-I777 HydrophobicContact CB-CD1 4.02Å; C547-I777 HydrophobicContact CB-CG1 3.99Å
548S95.3Very high94.5Very high1 Ų133.6 Ų33.61%0.00717%0.169CC..SBendtrans-57127.3-179.5-175.50000111.5T482 I484 S543 R550 R555T482-S548 WeakPolarHBondContact O-CB 3.47Å; T482-S548 PolarHBondContact O-OG 3Å; I484-S548 PolarHBondContact N-OG 3.14Å; I484-S548 WeakPolarHBondContact O-CA 3.15Å; S543-S548 WeakPolarHBondContact O-CB 3.4Å; S548-R550 PolarHBondContact O-N 2.83Å; S548-R555 PolarHBondContact O-NE 3.36Å
549L95.7Very high94.6Very high1 Ų133.5 Ų33.51%0.00517%0.169CC..  trans-7955.2-176.4-60.4-178000112.6I484 D485 A487 H503 A505 C547 R555 I580I484-L549 HydrophobicContact CG2-CB 4.13Å; I484-L549 PolarHBondContact O-N 3.2Å; D485-L549 WeakPolarHBondContact O-CD1 3.21Å; A487-L549 HydrophobicContact CB-CD1 3.88Å; H503-L549 WeakPolarHBondContact O-CD1 3.37Å; A505-L549 HydrophobicContact CB-CG 4.36Å; C547-L549 PolarHBondContact O-N 3.18Å; L549-R555 HydrophobicContact CD2-CB 3.7Å; L549-R555 HydrophobicContact CD2-CG 4.4Å; L549-I580 HydrophobicContact CD1-CD1 3.98Å; L549-I580 HydrophobicContact CD2-CD1 3.92Å; L549-I580 HydrophobicContact CD2-CG1 4.35Å; L549-I580 HydrophobicContact CG-CD1 4.43Å
550R92.6Very high94.7Very high124 Ų12433.3 Ų33.347%0.46817%0.168SC..  trans-59.8148.2-178.1-63.8179.363.2-177.10.4112.3S548S548-R550 PolarHBondContact O-N 2.83Å
551S93.3Very high95Very high47 Ų4726.7 Ų26.733%0.32914%0.137SC..BIsolated β-bridgetrans-63141.9176.660.20000112.8V553 S582 S585S551-V553 PolarHBondContact O-N 3.3Å; S551-S582 CarbonylContact C-O 3.6Å; S551-S582 WeakPolarHBondContact CA-O 3.49Å; S551-S585 PolarHBondContact N-OG 2.95Å
552N94.1Very high95.2Very high113 Ų11324.4 Ų24.460%0.60413%0.125SC*.THydrogen-bonded Turntrans58.521.4177.7-56.3-59.2000115.3S582N552-S582 PolarHBondContact N-O 2.97Å
553V94Very high95.4Very high52 Ų5226.5 Ų26.532%0.31514%0.135SC..SBendtrans-124.9139.6176.2-169.50000109.9S551 R555S551-V553 PolarHBondContact O-N 3.3Å; V553-R555 VanDerWaalsContact CG1-CZ 3.48Å
554E95.5Very high95.7Very high70 Ų7026.4 Ų26.433%0.32713%0.134SC..EExtended strand (participates in β ladder)trans-74.4131.7176.8-53.6-175.1151.900111I457 R469 V579 I580I457-E554 HydrophobicContact CD1-CB 3.62Å; R469-E554 WeakPolarHBondContact CD-OE1 3.5Å; R469-E554 IonicContact CZ-OE1 3.71Å; R469-E554 IonicContact NE-OE1 3.46Å; R469-E554 IonicContact NH1-OE1 2.94Å; R469-E554 PolarHBondContact NH1-OE1 3.28Å; R469-E554 IonicContact NH1-OE2 3.96Å; E554-V579 HydrophobicContact CB-CG1 4.48Å; E554-I580 WeakPolarHBondContact CA-O 3.29Å
555R96.2Very high96Very high19 Ų1927.1 Ų27.17%0.07214%0.136CC..EExtended strand (participates in β ladder)trans-142.4149.2-175.5-68.4-68.4179.1-106.210.9111.6N545 L546 S548 L549 V553 I580N545-R555 PolarHBondContact O-NE 3.18Å; N545-R555 PolarHBondContact O-NH2 2.85Å; N545-R555 PolarHBondContact OD1-NH2 2.83Å; L546-R555 WeakPolarHBondContact O-CD 3.43Å; L546-R555 PolarHBondContact O-NE 2.86Å; S548-R555 PolarHBondContact O-NE 3.36Å; L549-R555 HydrophobicContact CD2-CB 3.7Å; L549-R555 HydrophobicContact CD2-CG 4.4Å; V553-R555 VanDerWaalsContact CG1-CZ 3.48Å; R555-I580 PolarHBondContact N-O 2.72Å; R555-I580 PolarHBondContact O-N 3.13Å
556F97.7Very high96.1Very high4 Ų430.1 Ų30.12%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-77133.1171.2-65.9-27.1000110.9W455 I457 D461 D506 H509 F510 V579W455-F556 HydrophobicContact CH2-CD2 4.14Å; W455-F556 AromaticContact CH2-CE2 3.94Å; W455-F556 HydrophobicContact CH2-CE2 3.94Å; W455-F556 HydrophobicContact CH2-CZ 4.15Å; W455-F556 HydrophobicContact CZ2-CD2 4.02Å; W455-F556 AromaticContact CZ2-CE2 3.52Å; W455-F556 HydrophobicContact CZ2-CE2 3.52Å; W455-F556 AromaticContact CZ2-CZ 3.94Å; W455-F556 HydrophobicContact CZ2-CZ 3.94Å; I457-F556 HydrophobicContact CB-CE1 4.3Å; I457-F556 HydrophobicContact CD1-CD1 4.12Å; I457-F556 HydrophobicContact CD1-CE1 3.84Å; I457-F556 HydrophobicContact CG1-CD1 4.42Å; I457-F556 HydrophobicContact CG1-CE1 3.77Å; I457-F556 HydrophobicContact CG1-CZ 4.09Å; I457-F556 HydrophobicContact CG2-CE1 3.73Å; I457-F556 HydrophobicContact CG2-CZ 4.12Å; D461-F556 HydrophobicContact CB-CE1 3.93Å; D461-F556 HydrophobicContact CB-CE2 4.5Å; D461-F556 HydrophobicContact CB-CZ 3.48Å; D461-F556 VanDerWaalsContact CB-CZ 3.48Å; D461-F556 VanDerWaalsContact CG-CZ 3.48Å; D506-F556 HydrophobicContact CB-CB 3.82Å; D506-F556 PolarHBondContact N-O 2.83Å; D506-F556 VanDerWaalsContact N-O 3.08Å; H509-F556 AromaticContact CD2-CD2 3.69Å; H509-F556 AromaticContact CD2-CE2 3.7Å; H509-F556 AromaticContact NE2-CD2 3.99Å; H509-F556 AromaticContact NE2-CE2 3.49Å; H509-F556 WeakPolarHBondContact NE2-CE2 3.42Å; F510-F556 HydrophobicContact CE2-CD2 4.47Å; F510-F556 HydrophobicContact CZ-CD2 4.24Å; F556-V579 HydrophobicContact CD1-CG2 3.84Å; F556-V579 HydrophobicContact CE1-CG2 3.88Å
557A98.1Very high96.2Very high0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-134.7149176.400000111.4H503 I504 S578 I580H503-A557 HydrophobicContact CB-CB 4.16Å; I504-A557 CarbonylContact O-C 3.58Å; I504-A557 WeakPolarHBondContact O-CA 3.24Å; I504-A557 WeakPolarHBondContact O-CB 3.12Å; A557-S578 PolarHBondContact N-O 3.01Å; A557-S578 PolarHBondContact O-N 2.92Å; A557-S578 VanDerWaalsContact O-O 3.1Å; A557-S578 PolarHBondContact O-OG 3.11Å; A557-I580 HydrophobicContact CB-CD1 3.97Å; A557-I580 HydrophobicContact CB-CG1 3.86Å; A557-I580 HydrophobicContact CB-CG2 4.33Å
558F98.4Very high96.3Very high0 Ų037.4 Ų37.40%018%0.181CC..EExtended strand (participates in β ladder)trans-93.5111.7160.4-152.4149.5000108I504 F575 T576 K577 F773 H786 L789 A790 I793I504-F558 PolarHBondContact N-O 3.34Å; I504-F558 PolarHBondContact O-N 3.29Å; F558-F575 HydrophobicContact CE2-CB 4.25Å; F558-T576 VanDerWaalsContact CD2-O 3.29Å; F558-T576 WeakPolarHBondContact CD2-O 3.16Å; F558-K577 HydrophobicContact CB-CD 4.45Å; F558-K577 HydrophobicContact CD1-CD 3.93Å; F558-K577 HydrophobicContact CD2-CD 4.4Å; F558-K577 HydrophobicContact CE1-CD 4.13Å; F558-K577 HydrophobicContact CG-CD 4.03Å; F558-K577 HydrophobicContact CZ-CD 4.42Å; F558-F773 HydrophobicContact CB-CE2 4.42Å; F558-F773 HydrophobicContact CB-CZ 3.98Å; F558-F773 HydrophobicContact CD1-CE2 4.06Å; F558-F773 HydrophobicContact CD1-CZ 4.32Å; F558-F773 HydrophobicContact CD2-CZ 4.28Å; F558-F773 HydrophobicContact CG-CE2 4.15Å; F558-F773 AromaticContact CG-CZ 3.93Å; F558-F773 HydrophobicContact CG-CZ 3.93Å; F558-H786 HydrophobicContact CD1-CB 4.47Å; F558-H786 AromaticContact CD1-ND1 3.67Å; F558-L789 HydrophobicContact CD1-CD2 4.38Å; F558-L789 HydrophobicContact CD2-CD2 4.25Å; F558-L789 HydrophobicContact CE1-CB 3.93Å; F558-L789 HydrophobicContact CE1-CD2 3.84Å; F558-L789 HydrophobicContact CE1-CG 3.92Å; F558-L789 HydrophobicContact CE2-CD2 3.7Å; F558-L789 HydrophobicContact CE2-CG 4.06Å; F558-L789 HydrophobicContact CZ-CB 3.95Å; F558-L789 HydrophobicContact CZ-CD2 3.49Å; F558-L789 VanDerWaalsContact CZ-CD2 3.49Å; F558-L789 HydrophobicContact CZ-CG 3.45Å; F558-L789 VanDerWaalsContact CZ-CG 3.45Å; F558-A790 HydrophobicContact CE1-CB 4.1Å; F558-I793 HydrophobicContact CE2-CD1 3.77Å; F558-I793 HydrophobicContact CZ-CD1 3.65Å; F558-I793 HydrophobicContact CZ-CG1 4.42Å
559S98.6Very high96.3Very high0 Ų041.7 Ų41.70%020%0.201CC..EExtended strand (participates in β ladder)trans-98129.6-176.2-650000112V502 H503 F575 T576 S578V502-S559 WeakPolarHBondContact O-CA 3.15Å; H503-S559 PolarHBondContact ND1-OG 3.35Å; S559-F575 WeakPolarHBondContact O-CA 3.16Å; S559-T576 PolarHBondContact N-O 3.18Å; S559-T576 PolarHBondContact O-N 3.12Å; S559-S578 PolarHBondContact OG-OG 3.28Å
560C98.4Very high96.4Very high0 Ų044.8 Ų44.80%022%0.217CC..EExtended strand (participates in β ladder)trans-105.6118.5163.1-174.90000108.2G501 V502 W562 F575G501-C560 WeakPolarHBondContact CA-O 3.46Å; V502-C560 PolarHBondContact N-O 2.77Å; V502-C560 PolarHBondContact O-N 3.43Å; C560-W562 HydrophobicContact CB-CH2 4.29Å; C560-W562 HydrophobicContact CB-CZ2 4.36Å; C560-W562 WeakPolarHBondContact SG-CZ2 3.42Å; C560-F575 HydrophobicContact CB-CD1 4Å; C560-F575 HydrophobicContact CB-CE1 4.02Å; C560-F575 WeakPolarHBondContact SG-CE1 3.5Å
561I98.6Very high96.6Very high4 Ų443.1 Ų43.12%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-124.5129.3-173.5-60.7170.6000108.7L468 E499 V500 R574L468-I561 HydrophobicContact CD1-CD1 3.91Å; E499-I561 HydrophobicContact CG-CG2 3.49Å; E499-I561 VanDerWaalsContact CG-CG2 3.49Å; V500-I561 CarbonylContact O-C 3.31Å; V500-I561 WeakPolarHBondContact O-CA 3.21Å; I561-R574 PolarHBondContact N-O 3.28Å; I561-R574 PolarHBondContact O-N 3.19Å
562W98.5Very high96.7Very high1 Ų147.2 Ų47.20%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-115.5141177.4-56.5-84.6000111.2E499 V500 V502 C560 M564 I570 K572 L667 A668 S671E499-W562 WeakPolarHBondContact CA-O 3.47Å; V500-W562 HydrophobicContact CB-CE3 4.48Å; V500-W562 HydrophobicContact CG1-CE3 4.35Å; V500-W562 PolarHBondContact N-O 2.96Å; V500-W562 PolarHBondContact O-N 3.03Å; V502-W562 HydrophobicContact CB-CH2 4.2Å; V502-W562 HydrophobicContact CB-CZ3 4.05Å; V502-W562 HydrophobicContact CG2-CH2 3.9Å; V502-W562 HydrophobicContact CG2-CZ3 3.63Å; C560-W562 HydrophobicContact CB-CH2 4.29Å; C560-W562 HydrophobicContact CB-CZ2 4.36Å; C560-W562 WeakPolarHBondContact SG-CZ2 3.42Å; W562-M564 HydrophobicContact CB-CG 3.88Å; W562-M564 HydrophobicContact CB-SD 4.45Å; W562-I570 HydrophobicContact CG-CG1 4.42Å; W562-K572 CarbonylContact C-O 3.55Å; W562-K572 VanDerWaalsContact CA-O 3.3Å; W562-K572 WeakPolarHBondContact CA-O 3.33Å; W562-L667 HydrophobicContact CD2-CD2 4.29Å; W562-L667 HydrophobicContact CE3-CD2 4.47Å; W562-L667 HydrophobicContact CH2-CB 4.39Å; W562-L667 HydrophobicContact CH2-CD2 4.31Å; W562-L667 HydrophobicContact CH2-CG 4.31Å; W562-L667 HydrophobicContact CZ2-CB 4.33Å; W562-L667 HydrophobicContact CZ2-CD2 4.11Å; W562-L667 HydrophobicContact CZ2-CG 3.88Å; W562-L667 HydrophobicContact CZ3-CD2 4.49Å; W562-A668 HydrophobicContact CH2-CB 3.84Å; W562-A668 HydrophobicContact CZ2-CB 4.31Å; W562-S671 PolarHBondContact NE1-OG 3.08Å
563E98.1Very high96.9Very high46 Ų4644.4 Ų44.422%0.21522%0.216CC..EExtended strand (participates in β ladder)trans-92.6117.6159.3-171.2-177.3141.300107.7L493 K497 L498 L571 K572L493-E563 HydrophobicContact CD1-CG 4.17Å; K497-E563 HydrophobicContact CB-CG 4.37Å; K497-E563 HydrophobicContact CD-CG 4.02Å; K497-E563 WeakPolarHBondContact CD-OE1 3.45Å; K497-E563 WeakPolarHBondContact CE-OE1 3.4Å; K497-E563 IonicContact NZ-OE1 2.8Å; K497-E563 PolarHBondContact NZ-OE1 2.96Å; L498-E563 WeakPolarHBondContact O-CA 3.26Å; E563-L571 WeakPolarHBondContact O-CB 3.28Å; E563-L571 PolarHBondContact O-N 3.38Å; E563-K572 HydrophobicContact CB-CB 4.09Å; E563-K572 PolarHBondContact N-O 3.48Å; E563-K572 PolarHBondContact O-N 3.42Å
564M97.5Very high97.1Very high0 Ų045.6 Ų45.60%022%0.215CC..EExtended strand (participates in β ladder)trans-123.1151.7-175.3-65.1-175.4129.600111.4L498 V500 W562 E569 I570 L614 L667L498-M564 PolarHBondContact N-O 2.83Å; L498-M564 PolarHBondContact O-N 3.41Å; V500-M564 HydrophobicContact CB-SD 4.3Å; V500-M564 HydrophobicContact CG2-SD 4.01Å; W562-M564 HydrophobicContact CB-CG 3.88Å; W562-M564 HydrophobicContact CB-SD 4.45Å; M564-E569 WeakPolarHBondContact CA-O 3.49Å; M564-I570 HydrophobicContact CE-CD1 4.3Å; M564-I570 HydrophobicContact CE-CG1 3.5Å; M564-I570 HydrophobicContact CG-CG1 4.49Å; M564-L614 HydrophobicContact SD-CD1 4.34Å; M564-L667 HydrophobicContact CE-CD2 3.43Å; M564-L667 VanDerWaalsContact CE-CD2 3.43Å
565N95.9Very high97.2Very high35 Ų3543.8 Ų43.819%0.18721%0.205CC..  trans-87.4172.4165.26917000111.4K567 A568 E569N565-K567 PolarHBondContact O-N 3.13Å; N565-K567 WeakPolarHBondContact OD1-CA 3.41Å; N565-K567 WeakPolarHBondContact OD1-CB 3.45Å; N565-K567 PolarHBondContact OD1-N 2.87Å; N565-A568 PolarHBondContact O-N 3.18Å; N565-A568 PolarHBondContact OD1-N 2.89Å; N565-E569 PolarHBondContact N-O 2.68Å; N565-E569 PolarHBondContact ND2-OE2 3.35Å; N565-E569 WeakPolarHBondContact OD1-CB 3.47Å; N565-E569 PolarHBondContact OD1-N 2.83Å
566H94.8Very high97.3Very high110 Ų11044.1 Ų44.151%0.50921%0.21SC..THydrogen-bonded Turntrans-63.5-8176.8-70.890.9000114.5G496 I617G496-H566 PolarHBondContact O-CE1 2.65Å; G496-H566 PolarHBondContact O-ND1 2.72Å; H566-I617 WeakPolarHBondContact O-CD1 3.29Å
567K94.7Very high97.3Very high150 Ų15044.9 Ų44.965%0.65221%0.213SC*.THydrogen-bonded Turntrans-9711.2173.2-60-179.1180177.80112.6N565 E569 I617N565-K567 PolarHBondContact O-N 3.13Å; N565-K567 WeakPolarHBondContact OD1-CA 3.41Å; N565-K567 WeakPolarHBondContact OD1-CB 3.45Å; N565-K567 PolarHBondContact OD1-N 2.87Å; K567-E569 HydrophobicContact CB-CG 4.35Å; K567-E569 PolarHBondContact O-N 3.33Å; K567-I617 WeakPolarHBondContact O-CG2 3.36Å
568A95.9Very high97.3Very high8 Ų844.9 Ų44.97%0.06621%0.213CC..  trans59.527.8-177.600000114.4N565 L614 I617 L618N565-A568 PolarHBondContact O-N 3.18Å; N565-A568 PolarHBondContact OD1-N 2.89Å; A568-L614 HydrophobicContact CB-CB 4.43Å; A568-L614 HydrophobicContact CB-CD2 3.84Å; A568-I617 HydrophobicContact CB-CB 4.11Å; A568-I617 HydrophobicContact CB-CG2 3.99Å; A568-L618 HydrophobicContact CB-CD2 3.83Å; A568-L618 HydrophobicContact CB-CG 3.92Å
569E95.9Very high97.3Very high91 Ų9144.9 Ų44.943%0.42521%0.213SC..  trans-86.9129.4171.9-59.5170.6162.500109.7M564 N565 K567 L571M564-E569 WeakPolarHBondContact CA-O 3.49Å; N565-E569 PolarHBondContact N-O 2.68Å; N565-E569 PolarHBondContact ND2-OE2 3.35Å; N565-E569 WeakPolarHBondContact OD1-CB 3.47Å; N565-E569 PolarHBondContact OD1-N 2.83Å; K567-E569 HydrophobicContact CB-CG 4.35Å; K567-E569 PolarHBondContact O-N 3.33Å; E569-L571 PolarHBondContact O-N 3.46Å
570I97.2Very high97.2Very high67 Ų6745 Ų4534%0.34421%0.213SC..EExtended strand (participates in β ladder)trans-75124.1176.7-63.2165.8000109.2W562 M564 T573 L667W562-I570 HydrophobicContact CG-CG1 4.42Å; M564-I570 HydrophobicContact CE-CD1 4.3Å; M564-I570 HydrophobicContact CE-CG1 3.5Å; M564-I570 HydrophobicContact CG-CG1 4.49Å; I570-T573 WeakPolarHBondContact CG2-OG1 3.42Å; I570-L667 HydrophobicContact CD1-CD1 3.77Å; I570-L667 HydrophobicContact CD1-CD2 4.19Å; I570-L667 HydrophobicContact CD1-CG 4.2Å
571L96.7Very high97.1Very high88 Ų8846.1 Ų46.146%0.46122%0.22SC..EExtended strand (participates in β ladder)trans-99-38174.7-57.2176.4000111.5K497 E563 E569K497-L571 HydrophobicContact CD-CD1 3.67Å; K497-L571 VanDerWaalsContact CE-CD1 3.47Å; K497-L571 HydrophobicContact CG-CD1 4.4Å; E563-L571 WeakPolarHBondContact O-CB 3.28Å; E563-L571 PolarHBondContact O-N 3.38Å; E569-L571 PolarHBondContact O-N 3.46Å
572K96.8Very high97Very high133 Ų13346 Ų4658%0.57822%0.219SC*.EExtended strand (participates in β ladder)trans-147.8139179.4-169.4175.8-179.4179.90110W562 E563W562-K572 CarbonylContact C-O 3.55Å; W562-K572 VanDerWaalsContact CA-O 3.3Å; W562-K572 WeakPolarHBondContact CA-O 3.33Å; E563-K572 HydrophobicContact CB-CB 4.09Å; E563-K572 PolarHBondContact N-O 3.48Å; E563-K572 PolarHBondContact O-N 3.42Å
573T97.9Very high96.9Very high55 Ų5549.4 Ų49.434%0.33723%0.234SC..EExtended strand (participates in β ladder)trans-115.7139.7174.3-53.40000109.4I570 F575I570-T573 WeakPolarHBondContact CG2-OG1 3.42Å; T573-F575 HydrophobicContact CG2-CD2 4.39Å; T573-F575 HydrophobicContact CG2-CE1 4.22Å; T573-F575 HydrophobicContact CG2-CE2 3.69Å; T573-F575 HydrophobicContact CG2-CZ 3.6Å
574R97Very high96.7Very high77 Ų7748 Ų4829%0.29123%0.231SC..EExtended strand (participates in β ladder)trans-137.7129.5178.5-174.4169.264.684.1-8110.1I561I561-R574 PolarHBondContact N-O 3.28Å; I561-R574 PolarHBondContact O-N 3.19Å
575F98.4Very high96.6Very high31 Ų3150.1 Ų50.114%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-111.6134.7174.4-57.9-76.5000109.3F558 S559 C560 T573 V672 K675 L789 I793F558-F575 HydrophobicContact CE2-CB 4.25Å; S559-F575 WeakPolarHBondContact O-CA 3.16Å; C560-F575 HydrophobicContact CB-CD1 4Å; C560-F575 HydrophobicContact CB-CE1 4.02Å; C560-F575 WeakPolarHBondContact SG-CE1 3.5Å; T573-F575 HydrophobicContact CG2-CD2 4.39Å; T573-F575 HydrophobicContact CG2-CE1 4.22Å; T573-F575 HydrophobicContact CG2-CE2 3.69Å; T573-F575 HydrophobicContact CG2-CZ 3.6Å; F575-V672 HydrophobicContact CD1-CG2 4.17Å; F575-V672 HydrophobicContact CE1-CG2 3.51Å; F575-V672 HydrophobicContact CZ-CG2 4.25Å; F575-K675 HydrophobicContact CD2-CB 4.39Å; F575-K675 HydrophobicContact CD2-CG 4.07Å; F575-K675 HydrophobicContact CE2-CB 3.7Å; F575-K675 HydrophobicContact CE2-CG 3.88Å; F575-K675 HydrophobicContact CZ-CB 4.19Å; F575-L789 HydrophobicContact CB-CD1 4.46Å; F575-L789 HydrophobicContact CD1-CD1 4.32Å; F575-L789 HydrophobicContact CD1-CD2 3.97Å; F575-L789 HydrophobicContact CD2-CD1 4.32Å; F575-L789 HydrophobicContact CG-CD1 4.12Å; F575-L789 HydrophobicContact CG-CD2 4.38Å; F575-I793 HydrophobicContact CB-CG2 3.99Å
576T97.8Very high96.5Very high26 Ų2649.3 Ų49.316%0.1624%0.241CC..EExtended strand (participates in β ladder)trans-155.3146.9-179.3-171.60000112.4F558 S559F558-T576 VanDerWaalsContact CD2-O 3.29Å; F558-T576 WeakPolarHBondContact CD2-O 3.16Å; S559-T576 PolarHBondContact N-O 3.18Å; S559-T576 PolarHBondContact O-N 3.12Å
577K97.9Very high96.5Very high21 Ų2145.9 Ų45.99%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-76.9133.7163.2-67.5-66.4-163.6172.60108.5R465 Q466 D506 S508 F558 A795R465-K577 WeakPolarHBondContact CA-O 3.42Å; R465-K577 HydrophobicContact CG-CB 4.22Å; Q466-K577 PolarHBondContact N-O 3.23Å; D506-K577 IonicContact OD1-NZ 3.61Å; D506-K577 PolarHBondContact OD1-NZ 3.32Å; D506-K577 WeakPolarHBondContact OD2-CD 3.34Å; D506-K577 IonicContact OD2-NZ 3.5Å; D506-K577 PolarHBondContact OD2-NZ 3.02Å; D506-K577 VanDerWaalsContact OD2-NZ 3.12Å; S508-K577 PolarHBondContact OG-NZ 3.13Å; F558-K577 HydrophobicContact CB-CD 4.45Å; F558-K577 HydrophobicContact CD1-CD 3.93Å; F558-K577 HydrophobicContact CD2-CD 4.4Å; F558-K577 HydrophobicContact CE1-CD 4.13Å; F558-K577 HydrophobicContact CG-CD 4.03Å; F558-K577 HydrophobicContact CZ-CD 4.42Å; K577-A795 HydrophobicContact CG-CB 3.95Å
578S97.9Very high96.3Very high0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans-144.1164.1-168.657.20000113Q466 A557 S559Q466-S578 CarbonylContact O-C 3.58Å; Q466-S578 WeakPolarHBondContact O-CA 3.29Å; Q466-S578 WeakPolarHBondContact O-CB 3.46Å; A557-S578 PolarHBondContact N-O 3.01Å; A557-S578 PolarHBondContact O-N 2.92Å; A557-S578 VanDerWaalsContact O-O 3.1Å; A557-S578 PolarHBondContact O-OG 3.11Å; S559-S578 PolarHBondContact OG-OG 3.28Å
579V98.1Very high96.2Very high0 Ų042.6 Ų42.60%022%0.219CC..EExtended strand (participates in β ladder)trans-113.1125.7165.9-175.80000108.6I457 M462 R465 Q466 L468 R469 E554 F556I457-V579 HydrophobicContact CD1-CG1 3.43Å; I457-V579 VanDerWaalsContact CD1-CG1 3.43Å; I457-V579 HydrophobicContact CD1-CG2 4.48Å; M462-V579 HydrophobicContact SD-CB 3.98Å; M462-V579 HydrophobicContact SD-CG1 4.21Å; M462-V579 HydrophobicContact SD-CG2 3.51Å; M462-V579 VanDerWaalsContact SD-CG2 3.51Å; R465-V579 HydrophobicContact CB-CG2 3.98Å; Q466-V579 PolarHBondContact O-N 3.18Å; L468-V579 CarbonylContact C-O 3.59Å; L468-V579 WeakPolarHBondContact CA-O 3.43Å; L468-V579 PolarHBondContact N-O 3.32Å; R469-V579 HydrophobicContact CG-CG1 4.06Å; R469-V579 PolarHBondContact N-O 3.48Å; E554-V579 HydrophobicContact CB-CG1 4.48Å; F556-V579 HydrophobicContact CD1-CG2 3.84Å; F556-V579 HydrophobicContact CE1-CG2 3.88Å
580I97.6Very high96.1Very high1 Ų142.8 Ų42.81%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-121.7162.3178.461.9160.9000110.8L468 V473 A487 H503 L549 E554 R555 A557L468-I580 HydrophobicContact CB-CG2 3.95Å; L468-I580 HydrophobicContact CD1-CG2 4.49Å; V473-I580 HydrophobicContact CG1-CD1 4.31Å; A487-I580 HydrophobicContact CB-CD1 4.41Å; H503-I580 HydrophobicContact CB-CD1 3.81Å; L549-I580 HydrophobicContact CD1-CD1 3.98Å; L549-I580 HydrophobicContact CD2-CD1 3.92Å; L549-I580 HydrophobicContact CD2-CG1 4.35Å; L549-I580 HydrophobicContact CG-CD1 4.43Å; E554-I580 WeakPolarHBondContact CA-O 3.29Å; R555-I580 PolarHBondContact N-O 2.72Å; R555-I580 PolarHBondContact O-N 3.13Å; A557-I580 HydrophobicContact CB-CD1 3.97Å; A557-I580 HydrophobicContact CB-CG1 3.86Å; A557-I580 HydrophobicContact CB-CG2 4.33Å
581N96.8Very high96Very high24 Ų2439.6 Ų39.613%0.12820%0.203CC..EExtended strand (participates in β ladder)trans-135.198.5170.7179-65.2000106.9R469 K583R469-N581 HydrophobicContact CB-CB 4.24Å; R469-N581 HydrophobicContact CG-CB 4.2Å; N581-K583 WeakPolarHBondContact O-CE 3.36Å; N581-K583 PolarHBondContact O-N 2.88Å; N581-K583 PolarHBondContact OD1-NZ 3.27Å
582S96.2Very high95.9Very high2 Ų236.6 Ų36.61%0.01419%0.187CC..BIsolated β-bridgetrans-62.6127.9-179.9-177.70000109.3S551 N552 A584S551-S582 CarbonylContact C-O 3.6Å; S551-S582 WeakPolarHBondContact CA-O 3.49Å; N552-S582 PolarHBondContact N-O 2.97Å; S582-A584 PolarHBondContact OG-O 2.62Å; S582-A584 VanDerWaalsContact OG-O 3.09Å
583K96.1Very high95.8Very high73 Ų7336.6 Ų36.632%0.31719%0.191SC..SBendtrans-83.1-24.3-177.5-54.6-53.8176.8-165.30112.6R469 T472 V473 N581 I604R469-K583 PolarHBondContact O-NZ 2.9Å; R469-K583 VanDerWaalsContact O-NZ 3.15Å; T472-K583 HydrophobicContact CG2-CG 4.49Å; V473-K583 PolarHBondContact O-N 3.27Å; N581-K583 WeakPolarHBondContact O-CE 3.36Å; N581-K583 PolarHBondContact O-N 2.88Å; N581-K583 PolarHBondContact OD1-NZ 3.27Å; K583-I604 HydrophobicContact CB-CD1 4.15Å
584A94.5Very high95.7Very high17 Ų1736.8 Ų36.814%0.1419%0.185CC..EExtended strand (participates in β ladder)trans-151.3146.1179.100000111.7C474 S475 S582 L586 I604C474-A584 WeakPolarHBondContact CA-O 3.43Å; C474-A584 HydrophobicContact CB-CB 4.27Å; S475-A584 PolarHBondContact N-O 3.15Å; S582-A584 PolarHBondContact OG-O 2.62Å; S582-A584 VanDerWaalsContact OG-O 3.09Å; A584-L586 HydrophobicContact CB-CD2 4.19Å; A584-L586 HydrophobicContact CB-CG 4.15Å; A584-I604 HydrophobicContact CB-CD1 3.86Å
585S94Very high95.5Very high43 Ų4333.9 Ų33.930%0.30118%0.175SC..EExtended strand (participates in β ladder)trans-115.6110.8166.7-60.20000106.6S475 S551S475-S585 WeakPolarHBondContact OG-CA 3.42Å; S551-S585 PolarHBondContact N-OG 2.95Å
586L95.3Very high95.3Very high19 Ų1937.3 Ų37.310%0.09920%0.195CC..EExtended strand (participates in β ladder)trans-111.1148-172-60174.2000110.3S475 V476 D477 A584 A591 I604 L608S475-L586 PolarHBondContact O-N 2.7Å; V476-L586 CarbonylContact C-O 3.49Å; V476-L586 WeakPolarHBondContact CA-O 3.46Å; D477-L586 PolarHBondContact N-O 3.1Å; A584-L586 HydrophobicContact CB-CD2 4.19Å; A584-L586 HydrophobicContact CB-CG 4.15Å; L586-A591 HydrophobicContact CB-CB 4.32Å; L586-A591 HydrophobicContact CD1-CB 4.32Å; L586-I604 HydrophobicContact CD1-CG2 4.31Å; L586-L608 HydrophobicContact CD1-CD1 3.84Å
587T94.3Very high95.1Very high37 Ų3738.6 Ų38.623%0.22720%0.201CC..EExtended strand (participates in β ladder)trans-78.9158.5163.863.20000111.1D477 P479 A589 E590 A591D477-T587 VanDerWaalsContact O-CA 3.3Å; D477-T587 WeakPolarHBondContact O-CA 3.42Å; P479-T587 HydrophobicContact CB-CG2 4.33Å; T587-A589 PolarHBondContact O-N 2.79Å; T587-E590 WeakPolarHBondContact CB-OE2 3.41Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.43Å; T587-E590 PolarHBondContact N-OE2 3.16Å; T587-E590 PolarHBondContact O-N 2.91Å; T587-E590 WeakPolarHBondContact OG1-CB 3.33Å; T587-E590 WeakPolarHBondContact OG1-CG 3.47Å; T587-E590 PolarHBondContact OG1-N 2.95Å; T587-E590 PolarHBondContact OG1-OE2 2.91Å; T587-A591 WeakPolarHBondContact O-CB 3.46Å; T587-A591 PolarHBondContact O-N 3.2Å
588Y91Very high94.8Very high46 Ų4641.2 Ų41.218%0.1823%0.226CC..Hα-helixtrans-52.1-41174.4-74.2-72.2000113.6V476 D477 P478 Q592 T657 N658 V661V476-Y588 HydrophobicContact CG1-CD1 3.66Å; V476-Y588 HydrophobicContact CG1-CE1 3.9Å; V476-Y588 HydrophobicContact CG1-CG 4.21Å; D477-Y588 VanDerWaalsContact C-CE2 3.48Å; D477-Y588 WeakPolarHBondContact O-CD2 3.44Å; D477-Y588 PolarHBondContact O-N 2.73Å; P478-Y588 HydrophobicContact CB-CE2 4.49Å; P478-Y588 HydrophobicContact CG-CE2 3.93Å; Y588-Q592 WeakPolarHBondContact O-CB 3.46Å; Y588-Q592 PolarHBondContact O-N 3.07Å; Y588-T657 PolarHBondContact O-OG1 3.43Å; Y588-T657 VanDerWaalsContact O-OG1 3.08Å; Y588-N658 HydrophobicContact CD1-CB 4.39Å; Y588-N658 WeakPolarHBondContact CD1-ND2 3.41Å; Y588-N658 WeakPolarHBondContact CD2-ND2 3.41Å; Y588-N658 HydrophobicContact CE1-CB 4.25Å; Y588-N658 WeakPolarHBondContact CE1-ND2 3.18Å; Y588-N658 WeakPolarHBondContact CE2-ND2 3.4Å; Y588-N658 VanDerWaalsContact CZ-ND2 3.29Å; Y588-V661 HydrophobicContact CE1-CG2 4.17Å
589A92.6Very high94.6Very high44 Ų4448 Ų4836%0.36426%0.263SS..Hα-helixtrans-68.9-44.517900000111.7T587 Q592 M593 M655T587-A589 PolarHBondContact O-N 2.79Å; A589-Q592 PolarHBondContact O-N 3.19Å; A589-M593 VanDerWaalsContact O-CG 3.28Å; A589-M593 WeakPolarHBondContact O-CG 3.27Å; A589-M593 PolarHBondContact O-N 2.99Å; A589-M655 HydrophobicContact CB-CE 4.26Å; A589-M655 HydrophobicContact CB-SD 4.36Å
590E94.2Very high94.2Very high94 Ų9451.8 Ų51.844%0.43928%0.279SS..Hα-helixtrans-62.9-43.9176.4-72.5164.7153.400111.7T587 Q592 M593 R594T587-E590 WeakPolarHBondContact CB-OE2 3.41Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.43Å; T587-E590 PolarHBondContact N-OE2 3.16Å; T587-E590 PolarHBondContact O-N 2.91Å; T587-E590 WeakPolarHBondContact OG1-CB 3.33Å; T587-E590 WeakPolarHBondContact OG1-CG 3.47Å; T587-E590 PolarHBondContact OG1-N 2.95Å; T587-E590 PolarHBondContact OG1-OE2 2.91Å; E590-Q592 VanDerWaalsContact C-N 3.32Å; E590-Q592 PolarHBondContact O-N 3.47Å; E590-M593 PolarHBondContact O-N 3.01Å; E590-R594 WeakPolarHBondContact O-CG 3.44Å; E590-R594 PolarHBondContact O-N 3.42Å
591A95.1Very high94Very high0 Ų056.3 Ų56.30%030%0.304CS..Hα-helixtrans-61.4-41.5176.100000111.4V476 L586 T587 R594 I595 L608 T657V476-A591 HydrophobicContact CG1-CB 3.78Å; V476-A591 HydrophobicContact CG2-CB 4Å; L586-A591 HydrophobicContact CB-CB 4.32Å; L586-A591 HydrophobicContact CD1-CB 4.32Å; T587-A591 WeakPolarHBondContact O-CB 3.46Å; T587-A591 PolarHBondContact O-N 3.2Å; A591-R594 PolarHBondContact O-N 3.2Å; A591-I595 VanDerWaalsContact O-CG1 3.28Å; A591-I595 WeakPolarHBondContact O-CG1 3.37Å; A591-I595 PolarHBondContact O-N 3.16Å; A591-L608 HydrophobicContact CB-CD1 4.48Å; A591-T657 HydrophobicContact CB-CG2 3.88Å
592Q94.6Very high93.8Very high26 Ų2657.6 Ų57.612%0.12131%0.31CS..Hα-helixtrans-62.9-48.9177-172.265.258.400110.8Y588 A589 E590 R594 I595 D596 T657Y588-Q592 WeakPolarHBondContact O-CB 3.46Å; Y588-Q592 PolarHBondContact O-N 3.07Å; A589-Q592 PolarHBondContact O-N 3.19Å; E590-Q592 VanDerWaalsContact C-N 3.32Å; E590-Q592 PolarHBondContact O-N 3.47Å; Q592-R594 PolarHBondContact O-N 3.44Å; Q592-I595 PolarHBondContact O-N 3.03Å; Q592-I595 VanDerWaalsContact O-N 3.11Å; Q592-D596 WeakPolarHBondContact CG-OD2 3.42Å; Q592-D596 PolarHBondContact NE2-OD1 3.5Å; Q592-D596 PolarHBondContact NE2-OD2 2.98Å; Q592-D596 VanDerWaalsContact O-CG 3.25Å; Q592-D596 PolarHBondContact O-N 3.12Å; Q592-T657 HydrophobicContact CB-CG2 3.99Å
593M94.8Very high93.7Very high132 Ų13262.6 Ų62.665%0.6534%0.337SS*.Hα-helixtrans-58-35.9176.1-71.2174.467.700112.7A589 E590 D597A589-M593 VanDerWaalsContact O-CG 3.28Å; A589-M593 WeakPolarHBondContact O-CG 3.27Å; A589-M593 PolarHBondContact O-N 2.99Å; E590-M593 PolarHBondContact O-N 3.01Å; M593-D597 VanDerWaalsContact O-CB 3.27Å; M593-D597 WeakPolarHBondContact O-CB 3.21Å; M593-D597 PolarHBondContact O-N 3.41Å; M593-D597 VanDerWaalsContact O-N 3.15Å
594R94.9Very high93.7Very high60 Ų6060.3 Ų60.323%0.22633%0.328CS..Hα-helixtrans-69.6-43.1175.2-70.4-174.388.794.30.5112.4E590 A591 Q592 D596 D602 T605E590-R594 WeakPolarHBondContact O-CG 3.44Å; E590-R594 PolarHBondContact O-N 3.42Å; A591-R594 PolarHBondContact O-N 3.2Å; Q592-R594 PolarHBondContact O-N 3.44Å; R594-D596 VanDerWaalsContact C-N 3.29Å; R594-D596 PolarHBondContact O-N 3.02Å; R594-D602 IonicContact CZ-OD1 2.72Å; R594-D602 IonicContact CZ-OD2 2.86Å; R594-D602 IonicContact NH2-OD1 3.57Å; R594-D602 PolarHBondContact NH2-OD1 2.87Å; R594-D602 IonicContact NH2-OD2 3.45Å; R594-D602 PolarHBondContact NH2-OD2 2.91Å; R594-T605 HydrophobicContact CB-CG2 4.48Å; R594-T605 PolarHBondContact NE-OG1 2.86Å; R594-T605 VanDerWaalsContact O-CG2 3.25Å; R594-T605 WeakPolarHBondContact O-CG2 3.5Å
595I94.1Very high93.8Very high16 Ų1659.5 Ų59.58%0.08232%0.321CS..Hα-helixtrans-61-43.1179.2-71.9165.6000110.3A591 Q592 L608 R609 N612 T657 M660A591-I595 VanDerWaalsContact O-CG1 3.28Å; A591-I595 WeakPolarHBondContact O-CG1 3.37Å; A591-I595 PolarHBondContact O-N 3.16Å; Q592-I595 PolarHBondContact O-N 3.03Å; Q592-I595 VanDerWaalsContact O-N 3.11Å; I595-L608 HydrophobicContact CD1-CB 4.17Å; I595-L608 HydrophobicContact CG1-CB 3.82Å; I595-R609 HydrophobicContact CG2-CG 4.39Å; I595-R609 PolarHBondContact O-NE 2.63Å; I595-N612 HydrophobicContact CD1-CB 4.34Å; I595-T657 HydrophobicContact CD1-CG2 3.64Å; I595-M660 HydrophobicContact CD1-SD 4.43Å
596D93.8Very high93.8Very high103 Ų10362.7 Ų62.755%0.55133%0.331SS*.Hα-helixtrans-78.5-26.3-174.5-62.2-23000113.5Q592 R594 A598Q592-D596 WeakPolarHBondContact CG-OD2 3.42Å; Q592-D596 PolarHBondContact NE2-OD1 3.5Å; Q592-D596 PolarHBondContact NE2-OD2 2.98Å; Q592-D596 VanDerWaalsContact O-CG 3.25Å; Q592-D596 PolarHBondContact O-N 3.12Å; R594-D596 VanDerWaalsContact C-N 3.29Å; R594-D596 PolarHBondContact O-N 3.02Å; D596-A598 PolarHBondContact O-N 3.04Å; D596-A598 VanDerWaalsContact O-N 3.12Å
597D93.9Very high93.9Very high52 Ų5262 Ų6228%0.27833%0.328SS..  trans-76.197.2179.1-178.1-2.8000111.7M593 N599 K600 R609M593-D597 VanDerWaalsContact O-CB 3.27Å; M593-D597 WeakPolarHBondContact O-CB 3.21Å; M593-D597 PolarHBondContact O-N 3.41Å; M593-D597 VanDerWaalsContact O-N 3.15Å; D597-N599 PolarHBondContact O-N 3.05Å; D597-N599 WeakPolarHBondContact OD1-CB 3.45Å; D597-N599 PolarHBondContact OD1-N 2.88Å; D597-K600 HydrophobicContact CB-CD 4.33Å; D597-K600 PolarHBondContact O-N 3.04Å; D597-K600 WeakPolarHBondContact OD2-CD 3.24Å; D597-K600 VanDerWaalsContact OD2-CE 3.27Å; D597-K600 WeakPolarHBondContact OD2-CE 3.39Å; D597-K600 WeakPolarHBondContact OD2-CG 3.42Å; D597-K600 IonicContact OD2-NZ 2.71Å; D597-R609 PolarHBondContact O-NH2 3.13Å
598A91.5Very high94Very high76 Ų7660.2 Ų60.263%0.62832%0.317SS*.THydrogen-bonded Turntrans-59.5-17.5-178.700000115.1D596D596-A598 PolarHBondContact O-N 3.04Å; D596-A598 VanDerWaalsContact O-N 3.12Å
599N93.3Very high94.3Very high143 Ų14360.4 Ų60.477%0.76532%0.317SS*.THydrogen-bonded Turntrans-87.1-14.8-178-60.3-50.4000113.1D597D597-N599 PolarHBondContact O-N 3.05Å; D597-N599 WeakPolarHBondContact OD1-CB 3.45Å; D597-N599 PolarHBondContact OD1-N 2.88Å
600K90.1Very high94.4Very high80 Ų8059 Ų5935%0.34831%0.308SS..  trans-87.1118.5175.5-75.7178.1-176.6163.80110.7D597 T605 R609D597-K600 HydrophobicContact CB-CD 4.33Å; D597-K600 PolarHBondContact O-N 3.04Å; D597-K600 WeakPolarHBondContact OD2-CD 3.24Å; D597-K600 VanDerWaalsContact OD2-CE 3.27Å; D597-K600 WeakPolarHBondContact OD2-CE 3.39Å; D597-K600 WeakPolarHBondContact OD2-CG 3.42Å; D597-K600 IonicContact OD2-NZ 2.71Å; K600-T605 HydrophobicContact CB-CG2 4.12Å; K600-T605 WeakPolarHBondContact O-CG2 3.31Å; K600-R609 VanDerWaalsContact O-CZ 3.26Å; K600-R609 PolarHBondContact O-NH1 3.3Å; K600-R609 PolarHBondContact O-NH2 3.4Å
601N92.2Very high94.6Very high96 Ų9654.6 Ų54.651%0.51329%0.287SS..  trans-131.635.2-179.5-60.2-40.4000111.6R609N601-R609 PolarHBondContact OD1-NH1 3.26Å
602D94.3Very high94.7Very high50 Ų5055.1 Ų55.127%0.26729%0.29SS..SBendtrans-76155.8167.862.6-73.9000111R594 I604 T605 E606R594-D602 IonicContact CZ-OD1 2.72Å; R594-D602 IonicContact CZ-OD2 2.86Å; R594-D602 IonicContact NH2-OD1 3.57Å; R594-D602 PolarHBondContact NH2-OD1 2.87Å; R594-D602 IonicContact NH2-OD2 3.45Å; R594-D602 PolarHBondContact NH2-OD2 2.91Å; D602-I604 PolarHBondContact O-N 3Å; D602-I604 WeakPolarHBondContact OD2-CB 3.38Å; D602-T605 VanDerWaalsContact CG-OG1 3.3Å; D602-T605 WeakPolarHBondContact O-CA 3.32Å; D602-T605 WeakPolarHBondContact O-CB 3.45Å; D602-T605 PolarHBondContact O-N 3.47Å; D602-T605 WeakPolarHBondContact OD1-CB 3.22Å; D602-T605 PolarHBondContact OD1-OG1 3.4Å; D602-T605 PolarHBondContact OD2-N 3.31Å; D602-T605 PolarHBondContact OD2-OG1 3.33Å; D602-E606 PolarHBondContact O-N 2.9Å
603D93.9Very high94.8Very high107 Ų10761.1 Ų61.157%0.57232%0.316SS*.Hα-helixtrans-50.9-35.9-176.4-60.9-0.2000113.8T472 S607T472-D603 HydrophobicContact CG2-CB 3.78Å; D603-S607 WeakPolarHBondContact O-CB 3.4Å; D603-S607 PolarHBondContact O-N 3.34Å
604I95.4Very high94.9Very high25 Ų2555 Ų5513%0.12829%0.286CS..Hα-helixtrans-67.1-44.5178.4-59.6170.1000109.7T472 C474 K583 A584 L586 D602 S607 L608T472-I604 HydrophobicContact CG2-CB 4.35Å; T472-I604 HydrophobicContact CG2-CG1 3.45Å; T472-I604 VanDerWaalsContact CG2-CG1 3.45Å; C474-I604 HydrophobicContact CB-CG2 4.03Å; K583-I604 HydrophobicContact CB-CD1 4.15Å; A584-I604 HydrophobicContact CB-CD1 3.86Å; L586-I604 HydrophobicContact CD1-CG2 4.31Å; D602-I604 PolarHBondContact O-N 3Å; D602-I604 WeakPolarHBondContact OD2-CB 3.38Å; I604-S607 WeakPolarHBondContact O-CB 3.45Å; I604-S607 PolarHBondContact O-N 3.32Å; I604-L608 HydrophobicContact CG2-CD1 4.02Å; I604-L608 HydrophobicContact CG2-CG 4.4Å; I604-L608 WeakPolarHBondContact O-CB 3.37Å; I604-L608 VanDerWaalsContact O-CG 3.28Å; I604-L608 WeakPolarHBondContact O-CG 3.46Å; I604-L608 PolarHBondContact O-N 3.44Å
605T95.9Very high95Very high0 Ų052.3 Ų52.30%028%0.276CS..Hα-helixtrans-67.2-40-179.6-57.10000111.5R594 K600 D602 L608 R609R594-T605 HydrophobicContact CB-CG2 4.48Å; R594-T605 PolarHBondContact NE-OG1 2.86Å; R594-T605 VanDerWaalsContact O-CG2 3.25Å; R594-T605 WeakPolarHBondContact O-CG2 3.5Å; K600-T605 HydrophobicContact CB-CG2 4.12Å; K600-T605 WeakPolarHBondContact O-CG2 3.31Å; D602-T605 VanDerWaalsContact CG-OG1 3.3Å; D602-T605 WeakPolarHBondContact O-CA 3.32Å; D602-T605 WeakPolarHBondContact O-CB 3.45Å; D602-T605 PolarHBondContact O-N 3.47Å; D602-T605 WeakPolarHBondContact OD1-CB 3.22Å; D602-T605 PolarHBondContact OD1-OG1 3.4Å; D602-T605 PolarHBondContact OD2-N 3.31Å; D602-T605 PolarHBondContact OD2-OG1 3.33Å; T605-L608 PolarHBondContact O-N 3.26Å; T605-R609 WeakPolarHBondContact O-CG 3.39Å; T605-R609 PolarHBondContact O-N 2.85Å
606E95.3Very high95.2Very high111 Ų11156.5 Ų56.552%0.51929%0.294SS..Hα-helixtrans-64.1-44.5174.4-65.9-164.7158.400112.1D602 L608 R609 G610D602-E606 PolarHBondContact O-N 2.9Å; E606-L608 PolarHBondContact O-N 2.86Å; E606-R609 PolarHBondContact O-N 3.34Å; E606-G610 PolarHBondContact O-N 3.1Å
607S96.6Very high95.3Very high4 Ų454.8 Ų54.83%0.02828%0.284CS..Hα-helixtrans-56-50.1173.2174.60000111.5C490 D603 I604 R609 G610 L611C490-S607 PolarHBondContact N-OG 3.48Å; C490-S607 WeakPolarHBondContact O-CB 3.46Å; C490-S607 PolarHBondContact O-OG 3.13Å; D603-S607 WeakPolarHBondContact O-CB 3.4Å; D603-S607 PolarHBondContact O-N 3.34Å; I604-S607 WeakPolarHBondContact O-CB 3.45Å; I604-S607 PolarHBondContact O-N 3.32Å; S607-R609 PolarHBondContact O-N 2.85Å; S607-G610 PolarHBondContact O-N 3.32Å; S607-L611 WeakPolarHBondContact O-CG 3.49Å; S607-L611 PolarHBondContact O-N 2.97Å
608L96.9Very high95.4Very high0 Ų053.3 Ų53.30%028%0.276CS..Hα-helixtrans-61.3-40.3177.5-74172000112.9V476 L586 A591 I595 I604 T605 E606 L611 N612 M660V476-L608 HydrophobicContact CG2-CD2 4.07Å; L586-L608 HydrophobicContact CD1-CD1 3.84Å; A591-L608 HydrophobicContact CB-CD1 4.48Å; I595-L608 HydrophobicContact CD1-CB 4.17Å; I595-L608 HydrophobicContact CG1-CB 3.82Å; I604-L608 HydrophobicContact CG2-CD1 4.02Å; I604-L608 HydrophobicContact CG2-CG 4.4Å; I604-L608 WeakPolarHBondContact O-CB 3.37Å; I604-L608 VanDerWaalsContact O-CG 3.28Å; I604-L608 WeakPolarHBondContact O-CG 3.46Å; I604-L608 PolarHBondContact O-N 3.44Å; T605-L608 PolarHBondContact O-N 3.26Å; E606-L608 PolarHBondContact O-N 2.86Å; L608-L611 PolarHBondContact O-N 3.12Å; L608-N612 WeakPolarHBondContact O-CB 3.27Å; L608-N612 PolarHBondContact O-N 2.82Å; L608-M660 HydrophobicContact CD2-CE 3.94Å
609R96.2Very high95.6Very high49 Ų4952.9 Ų52.919%0.18526%0.26CS..Hα-helixtrans-66.4-40.4175.5-73.5175.5-176148.75.4111.7I595 D597 K600 N601 T605 E606 S607 N612 K613I595-R609 HydrophobicContact CG2-CG 4.39Å; I595-R609 PolarHBondContact O-NE 2.63Å; D597-R609 PolarHBondContact O-NH2 3.13Å; K600-R609 VanDerWaalsContact O-CZ 3.26Å; K600-R609 PolarHBondContact O-NH1 3.3Å; K600-R609 PolarHBondContact O-NH2 3.4Å; N601-R609 PolarHBondContact OD1-NH1 3.26Å; T605-R609 WeakPolarHBondContact O-CG 3.39Å; T605-R609 PolarHBondContact O-N 2.85Å; E606-R609 PolarHBondContact O-N 3.34Å; S607-R609 PolarHBondContact O-N 2.85Å; R609-N612 PolarHBondContact O-N 2.97Å; R609-K613 VanDerWaalsContact O-CG 3.31Å; R609-K613 WeakPolarHBondContact O-CG 3.08Å; R609-K613 PolarHBondContact O-N 2.93Å
610G96.1Very high95.7Very high16 Ų1652.3 Ų52.317%0.16525%0.251CS..Hα-helixtrans-59-48.6173.400000111.5E606 S607 K613 L614E606-G610 PolarHBondContact O-N 3.1Å; S607-G610 PolarHBondContact O-N 3.32Å; G610-K613 PolarHBondContact O-N 3.32Å; G610-L614 WeakPolarHBondContact O-CG 3.31Å; G610-L614 PolarHBondContact O-N 3.36Å; G610-L614 VanDerWaalsContact O-N 3.14Å
611L97.5Very high95.8Very high0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-58.4-49.5174.8-69.5169000111.6L488 C490 V500 S607 L608 K613 L614 A615 M660 F664L488-L611 HydrophobicContact CB-CD1 3.82Å; C490-L611 HydrophobicContact CB-CD2 3.78Å; C490-L611 HydrophobicContact CB-CG 3.66Å; V500-L611 HydrophobicContact CG1-CD2 3.76Å; S607-L611 WeakPolarHBondContact O-CG 3.49Å; S607-L611 PolarHBondContact O-N 2.97Å; L608-L611 PolarHBondContact O-N 3.12Å; L611-K613 VanDerWaalsContact C-N 3.35Å; L611-K613 PolarHBondContact O-N 2.89Å; L611-L614 PolarHBondContact O-N 2.68Å; L611-A615 WeakPolarHBondContact O-CB 3.26Å; L611-A615 PolarHBondContact O-N 3.15Å; L611-M660 HydrophobicContact CB-CG 4.09Å; L611-M660 HydrophobicContact CB-SD 3.61Å; L611-F664 HydrophobicContact CB-CE2 3.78Å; L611-F664 HydrophobicContact CB-CZ 4.37Å; L611-F664 HydrophobicContact CD2-CD2 3.99Å; L611-F664 HydrophobicContact CD2-CE1 4.22Å; L611-F664 HydrophobicContact CD2-CE2 3.47Å; L611-F664 VanDerWaalsContact CD2-CE2 3.47Å; L611-F664 HydrophobicContact CD2-CZ 3.58Å; L611-F664 HydrophobicContact CG-CE2 4.23Å; L611-F664 WeakPolarHBondContact O-CE2 3.16Å
612N97.1Very high95.9Very high12 Ų1251 Ų516%0.06424%0.239CC..Hα-helixtrans-62.3-40.6-178.5-167.928.3000112.2I595 L608 R609 A615 K616 E656 M660I595-N612 HydrophobicContact CD1-CB 4.34Å; L608-N612 WeakPolarHBondContact O-CB 3.27Å; L608-N612 PolarHBondContact O-N 2.82Å; R609-N612 PolarHBondContact O-N 2.97Å; N612-A615 PolarHBondContact O-N 3.41Å; N612-K616 WeakPolarHBondContact O-CG 3.23Å; N612-K616 PolarHBondContact O-N 2.66Å; N612-K616 VanDerWaalsContact O-N 3.1Å; N612-E656 PolarHBondContact ND2-OE2 2.7Å; N612-E656 VanDerWaalsContact ND2-OE2 3.13Å; N612-M660 HydrophobicContact CB-CG 4.5Å; N612-M660 HydrophobicContact CB-SD 4.02Å
613K96.8Very high95.8Very high152 Ų15250.9 Ų50.966%0.66124%0.238SC*.Hα-helixtrans-59.4-48.7175.5-76174.5-177.7176.80111.7R609 G610 L611 K616 I617R609-K613 VanDerWaalsContact O-CG 3.31Å; R609-K613 WeakPolarHBondContact O-CG 3.08Å; R609-K613 PolarHBondContact O-N 2.93Å; G610-K613 PolarHBondContact O-N 3.32Å; L611-K613 VanDerWaalsContact C-N 3.35Å; L611-K613 PolarHBondContact O-N 2.89Å; K613-K616 PolarHBondContact O-N 3.03Å; K613-I617 WeakPolarHBondContact O-CG1 3.42Å; K613-I617 PolarHBondContact O-N 2.83Å
614L97.7Very high95.7Very high4 Ų450.7 Ų50.72%0.02123%0.234CC..Hα-helixtrans-66.3-41179.1-68.5177.4000111.8L498 V500 M564 A568 G610 L611 K616 I617 L618 F664L498-L614 HydrophobicContact CD1-CD1 3.87Å; L498-L614 HydrophobicContact CD1-CD2 4.07Å; L498-L614 HydrophobicContact CD1-CG 4.22Å; V500-L614 HydrophobicContact CG2-CD1 3.65Å; M564-L614 HydrophobicContact SD-CD1 4.34Å; A568-L614 HydrophobicContact CB-CB 4.43Å; A568-L614 HydrophobicContact CB-CD2 3.84Å; G610-L614 WeakPolarHBondContact O-CG 3.31Å; G610-L614 PolarHBondContact O-N 3.36Å; G610-L614 VanDerWaalsContact O-N 3.14Å; L611-L614 PolarHBondContact O-N 2.68Å; L614-K616 VanDerWaalsContact C-N 3.32Å; L614-K616 PolarHBondContact O-N 3.29Å; L614-I617 WeakPolarHBondContact O-CB 3.35Å; L614-I617 PolarHBondContact O-N 3.46Å; L614-L618 WeakPolarHBondContact O-CG 3.43Å; L614-L618 PolarHBondContact O-N 3.24Å; L614-F664 HydrophobicContact CB-CZ 3.9Å; L614-F664 HydrophobicContact CD1-CZ 4.43Å
615A96.9Very high95.5Very high3 Ų354.5 Ų54.53%0.02525%0.254CS..Hα-helixtrans-60.8-39.3178.800000112.7L611 N612 I617 L618 K619 M660 E663 F664L611-A615 WeakPolarHBondContact O-CB 3.26Å; L611-A615 PolarHBondContact O-N 3.15Å; N612-A615 PolarHBondContact O-N 3.41Å; A615-I617 VanDerWaalsContact C-N 3.27Å; A615-I617 PolarHBondContact O-N 3.19Å; A615-L618 PolarHBondContact O-N 2.89Å; A615-K619 WeakPolarHBondContact O-CB 3.08Å; A615-K619 PolarHBondContact O-N 3.5Å; A615-M660 HydrophobicContact CB-CB 4.1Å; A615-M660 HydrophobicContact CB-CG 3.99Å; A615-E663 HydrophobicContact CB-CB 4.28Å; A615-E663 HydrophobicContact CB-CG 4.47Å; A615-F664 HydrophobicContact CB-CE2 4.1Å
616K96.8Very high95.3Very high104 Ų10454.5 Ų54.545%0.45226%0.255SS..Hα-helixtrans-59.4-38.2173.9-72.4177.8-177.4-171.50112.1N612 K613 L614 K620 E656N612-K616 WeakPolarHBondContact O-CG 3.23Å; N612-K616 PolarHBondContact O-N 2.66Å; N612-K616 VanDerWaalsContact O-N 3.1Å; K613-K616 PolarHBondContact O-N 3.03Å; L614-K616 VanDerWaalsContact C-N 3.32Å; L614-K616 PolarHBondContact O-N 3.29Å; K616-K620 WeakPolarHBondContact O-CB 3.43Å; K616-K620 PolarHBondContact O-N 3.46Å; K616-E656 WeakPolarHBondContact CE-OE1 3.33Å; K616-E656 WeakPolarHBondContact CE-OE2 3.33Å; K616-E656 IonicContact NZ-OE1 2.75Å; K616-E656 PolarHBondContact NZ-OE1 3.43Å; K616-E656 IonicContact NZ-OE2 3.23Å; K616-E656 PolarHBondContact NZ-OE2 3.28Å
617I97.6Very high95Very high66 Ų6649.3 Ų49.334%0.33823%0.231SC..Hα-helixtrans-70.5-46.7177.4-58.8167.8000110.6H566 K567 A568 K613 L614 A615 K619 K620 K621H566-I617 WeakPolarHBondContact O-CD1 3.29Å; K567-I617 WeakPolarHBondContact O-CG2 3.36Å; A568-I617 HydrophobicContact CB-CB 4.11Å; A568-I617 HydrophobicContact CB-CG2 3.99Å; K613-I617 WeakPolarHBondContact O-CG1 3.42Å; K613-I617 PolarHBondContact O-N 2.83Å; L614-I617 WeakPolarHBondContact O-CB 3.35Å; L614-I617 PolarHBondContact O-N 3.46Å; A615-I617 VanDerWaalsContact C-N 3.27Å; A615-I617 PolarHBondContact O-N 3.19Å; I617-K619 PolarHBondContact O-N 3.35Å; I617-K620 PolarHBondContact O-N 3.43Å; I617-K621 PolarHBondContact O-N 3.18Å
618L96.1Very high94.6Very high21 Ų2149.9 Ų49.911%0.1123%0.233CC..Hα-helixtrans-59.2-47.7178.4-69.6172.8000111.6A568 L614 A615 K620 K621 R622 E663 F664 L667A568-L618 HydrophobicContact CB-CD2 3.83Å; A568-L618 HydrophobicContact CB-CG 3.92Å; L614-L618 WeakPolarHBondContact O-CG 3.43Å; L614-L618 PolarHBondContact O-N 3.24Å; A615-L618 PolarHBondContact O-N 2.89Å; L618-K620 VanDerWaalsContact C-N 3.35Å; L618-K620 PolarHBondContact O-N 2.8Å; L618-K621 PolarHBondContact O-N 2.86Å; L618-R622 WeakPolarHBondContact O-CB 3.35Å; L618-R622 PolarHBondContact O-N 2.79Å; L618-E663 HydrophobicContact CB-CB 4.22Å; L618-E663 HydrophobicContact CB-CG 4.43Å; L618-E663 HydrophobicContact CD1-CB 4.41Å; L618-F664 HydrophobicContact CD1-CD1 4.4Å; L618-F664 HydrophobicContact CD1-CE1 4.05Å; L618-F664 HydrophobicContact CD1-CZ 4.45Å; L618-L667 HydrophobicContact CD1-CD2 4.27Å
619K94.5Very high94Very high67 Ų6752.8 Ų52.829%0.29125%0.251SS..Hα-helixtrans-58.2-46.5177.2-175.1176-165.8163.80111.9A615 I617 K621 R622 I623 S659 E663A615-K619 WeakPolarHBondContact O-CB 3.08Å; A615-K619 PolarHBondContact O-N 3.5Å; I617-K619 PolarHBondContact O-N 3.35Å; K619-K621 VanDerWaalsContact C-N 3.35Å; K619-K621 PolarHBondContact O-N 3.16Å; K619-R622 PolarHBondContact O-N 3.08Å; K619-I623 HydrophobicContact CG-CD1 3.96Å; K619-I623 WeakPolarHBondContact O-CG1 3.22Å; K619-I623 PolarHBondContact O-N 3.02Å; K619-S659 WeakPolarHBondContact CD-OG 3.49Å; K619-S659 PolarHBondContact NZ-OG 3.46Å; K619-E663 HydrophobicContact CB-CG 3.97Å; K619-E663 WeakPolarHBondContact CB-OE1 3.38Å
620K94.9Very high93.3Very high132 Ų13253 Ų5357%0.57426%0.256SS*.Hα-helixtrans-58.6-47.5178.4-178.3176.6172.7179.10111K616 I617 L618 R622 I623 E624K616-K620 WeakPolarHBondContact O-CB 3.43Å; K616-K620 PolarHBondContact O-N 3.46Å; I617-K620 PolarHBondContact O-N 3.43Å; L618-K620 VanDerWaalsContact C-N 3.35Å; L618-K620 PolarHBondContact O-N 2.8Å; K620-R622 VanDerWaalsContact C-N 3.33Å; K620-R622 PolarHBondContact O-N 3.05Å; K620-I623 PolarHBondContact O-N 2.74Å; K620-E624 WeakPolarHBondContact CE-OE1 3.28Å; K620-E624 WeakPolarHBondContact O-CG 3.36Å; K620-E624 PolarHBondContact O-N 3.33Å
621K94.1Very high91.9Very high109 Ų10954 Ų5447%0.47426%0.26SS..Hα-helixtrans-61.8-40.3177.2-170.9175.4-176.9175.40112.2I617 L618 K619 E624 N625I617-K621 PolarHBondContact O-N 3.18Å; L618-K621 PolarHBondContact O-N 2.86Å; K619-K621 VanDerWaalsContact C-N 3.35Å; K619-K621 PolarHBondContact O-N 3.16Å; K621-E624 PolarHBondContact O-N 3.44Å; K621-N625 WeakPolarHBondContact O-CB 3.45Å; K621-N625 PolarHBondContact O-N 3.46Å; K621-N625 PolarHBondContact O-ND2 2.96Å
622R93.4Very high90.6Very high38 Ų3857.6 Ų57.614%0.14329%0.285CS..Hα-helixtrans-62.7-43.2176.8-178.3169.973.2111.9-10.7111.9L618 K619 K620 N625 G626 A627 E662 E663L618-R622 WeakPolarHBondContact O-CB 3.35Å; L618-R622 PolarHBondContact O-N 2.79Å; K619-R622 PolarHBondContact O-N 3.08Å; K620-R622 VanDerWaalsContact C-N 3.33Å; K620-R622 PolarHBondContact O-N 3.05Å; R622-N625 PolarHBondContact O-N 3.4Å; R622-G626 PolarHBondContact O-N 2.87Å; R622-A627 HydrophobicContact CG-CB 3.43Å; R622-A627 VanDerWaalsContact CG-CB 3.43Å; R622-A627 VanDerWaalsContact O-CB 3.23Å; R622-A627 WeakPolarHBondContact O-CB 3.47Å; R622-A627 PolarHBondContact O-N 2.92Å; R622-A627 VanDerWaalsContact O-N 3.12Å; R622-E662 IonicContact CZ-OE1 3.5Å; R622-E662 IonicContact NH1-OE1 3.33Å; R622-E662 IonicContact NH2-OE1 2.74Å; R622-E662 PolarHBondContact NH2-OE1 2.69Å; R622-E663 IonicContact CZ-OE1 3.68Å; R622-E663 IonicContact NE-OE1 2.63Å; R622-E663 PolarHBondContact NE-OE1 3.33Å; R622-E663 IonicContact NE-OE2 2.62Å; R622-E663 PolarHBondContact NE-OE2 3Å; R622-E663 IonicContact NH2-OE1 2.93Å; R622-E663 PolarHBondContact NH2-OE1 3.48Å
623I91.8Very high89.1Confident49 Ų4959.2 Ų59.225%0.25129%0.294SS..Hα-helixtrans-65.4-45.3174.9-65.7167.8000110.7K619 K620 N625 G626K619-I623 HydrophobicContact CG-CD1 3.96Å; K619-I623 WeakPolarHBondContact O-CG1 3.22Å; K619-I623 PolarHBondContact O-N 3.02Å; K620-I623 PolarHBondContact O-N 2.74Å; I623-N625 PolarHBondContact O-N 2.75Å; I623-G626 WeakPolarHBondContact O-CA 3.43Å; I623-G626 PolarHBondContact O-N 3.15Å
624E92.9Very high87.7Confident103 Ų10356.9 Ų56.948%0.48129%0.285SS..Hα-helixtrans-60.3-31.2177.5-74.1172178.300113.2K620 K621 G626 K717K620-E624 WeakPolarHBondContact CE-OE1 3.28Å; K620-E624 WeakPolarHBondContact O-CG 3.36Å; K620-E624 PolarHBondContact O-N 3.33Å; K621-E624 PolarHBondContact O-N 3.44Å; E624-G626 PolarHBondContact O-N 2.9Å; E624-K717 PolarHBondContact O-NZ 2.81Å
625N91.1Very high86.5Confident104 Ų10458 Ų5856%0.55629%0.292SS*.THydrogen-bonded Turntrans-74.9-9.9173.5-71.2-13000113.5K621 R622 I623K621-N625 WeakPolarHBondContact O-CB 3.45Å; K621-N625 PolarHBondContact O-N 3.46Å; K621-N625 PolarHBondContact O-ND2 2.96Å; R622-N625 PolarHBondContact O-N 3.4Å; I623-N625 PolarHBondContact O-N 2.75Å
626G90.3Very high85.2Confident1 Ų164.2 Ų64.21%0.0132%0.315CS..THydrogen-bonded Turntrans103.419.8175.600000115.5R622 I623 E624R622-G626 PolarHBondContact O-N 2.87Å; I623-G626 WeakPolarHBondContact O-CA 3.43Å; I623-G626 PolarHBondContact O-N 3.15Å; E624-G626 PolarHBondContact O-N 2.9Å
627A90.9Very high84Confident2 Ų259.9 Ų59.92%0.01730%0.296CS..  trans-68.1138.317500000111.7R622 A766R622-A627 HydrophobicContact CG-CB 3.43Å; R622-A627 VanDerWaalsContact CG-CB 3.43Å; R622-A627 VanDerWaalsContact O-CB 3.23Å; R622-A627 WeakPolarHBondContact O-CB 3.47Å; R622-A627 PolarHBondContact O-N 2.92Å; R622-A627 VanDerWaalsContact O-N 3.12Å; A627-A766 HydrophobicContact CB-CB 4.39Å
628L88.2Confident82.6Confident15 Ų1560.9 Ų60.98%0.07930%0.299CS..  trans-85.8118.5-177-68.2167.8000110.5L630 A716 L719 A720 M746 Y763 G764L628-L630 HydrophobicContact CB-CD1 4.38Å; L628-L630 HydrophobicContact CB-CD2 4.43Å; L628-L630 HydrophobicContact CB-CG 4.02Å; L628-L630 PolarHBondContact O-N 3.06Å; L628-A716 HydrophobicContact CD1-CB 4.43Å; L628-A716 WeakPolarHBondContact CD2-O 3.33Å; L628-A716 HydrophobicContact CG-CB 4.41Å; L628-L719 HydrophobicContact CD1-CD2 4.23Å; L628-L719 HydrophobicContact CD2-CB 4.16Å; L628-L719 HydrophobicContact CD2-CD2 3.97Å; L628-L719 HydrophobicContact CD2-CG 3.97Å; L628-A720 HydrophobicContact CD2-CB 3.96Å; L628-M746 HydrophobicContact CD1-CE 4.1Å; L628-M746 HydrophobicContact CD1-SD 4.03Å; L628-Y763 HydrophobicContact CD1-CD1 4.05Å; L628-Y763 HydrophobicContact CD1-CE1 3.61Å; L628-G764 PolarHBondContact N-O 2.82Å
629T84Confident81.2Confident61 Ų6162 Ų6237%0.37431%0.305SS..  trans-87.693.7167.8-56.20000108.7R739T629-R739 WeakPolarHBondContact O-CD 3.28Å; T629-R739 PolarHBondContact O-NH1 3.33Å
630L80.2Confident79.7Confident54 Ų5461 Ų6128%0.28330%0.303SS..  trans-96.1152.3-179.2-66.6177.8000111.2L628 A742 T743 M746L628-L630 HydrophobicContact CB-CD1 4.38Å; L628-L630 HydrophobicContact CB-CD2 4.43Å; L628-L630 HydrophobicContact CB-CG 4.02Å; L628-L630 PolarHBondContact O-N 3.06Å; L630-A742 HydrophobicContact CD2-CB 3.99Å; L630-T743 WeakPolarHBondContact CB-OG1 3.42Å; L630-M746 HydrophobicContact CD1-CG 3.76Å; L630-M746 HydrophobicContact CD1-SD 4.42Å
631S68Low77.3Confident37 Ų3759.7 Ų59.726%0.25931%0.31SS..  trans-113.7124.1179.5-56.20000109.8I740 T743S631-I740 WeakPolarHBondContact O-CG1 3.39Å; S631-T743 PolarHBondContact O-OG1 2.87Å
632S69.7Low75.4Confident76 Ų7662.9 Ų62.953%0.53133%0.327SS..  trans-110150.3165.957.50000109.4E634S632-E634 PolarHBondContact O-N 3.08Å
633L65.9Low73.7Confident46 Ų4664.9 Ų64.924%0.24134%0.343CS..  trans-88.484.4172.1-68.9163.9000108.3I740 L861L633-I740 HydrophobicContact CD1-CD1 3.72Å; L633-I740 HydrophobicContact CD2-CD1 4.42Å; L633-I740 HydrophobicContact CG-CD1 3.9Å; L633-L861 HydrophobicContact CD1-CD1 3.41Å; L633-L861 VanDerWaalsContact CD1-CD1 3.41Å; L633-L861 HydrophobicContact CD1-CD2 3.73Å; L633-L861 HydrophobicContact CD1-CG 4.05Å
634E67.6Low72.4Confident102 Ų10267.7 Ų67.748%0.47736%0.355SS..  trans-81.8118.5171-71.2-175.4-179.100109.8S632 K652S632-E634 PolarHBondContact O-N 3.08Å; E634-K652 HydrophobicContact CB-CB 4.38Å; E634-K652 HydrophobicContact CB-CD 4.44Å; E634-K652 PolarHBondContact O-N 3.33Å; E634-K652 VanDerWaalsContact O-N 3.12Å; E634-K652 WeakPolarHBondContact OE2-CD 3.08Å; E634-K652 IonicContact OE2-NZ 2.66Å; E634-K652 PolarHBondContact OE2-NZ 3.14Å
635V71.2Confident71.2Confident29 Ų2965.8 Ų65.818%0.17635%0.348CS..EExtended strand (participates in β ladder)trans-105.1140.9175.7-63.20000110.3L649 V830 F865V635-L649 HydrophobicContact CB-CD1 4.43Å; V635-L649 HydrophobicContact CB-CD2 4.08Å; V635-L649 HydrophobicContact CB-CG 4.21Å; V635-L649 HydrophobicContact CG1-CD2 3.87Å; V635-V830 HydrophobicContact CG2-CG1 3.55Å; V635-F865 WeakPolarHBondContact CG1-O 3.26Å
636R70.2Confident70.2Confident132 Ų13261.5 Ų61.550%0.49833%0.326SS..EExtended strand (participates in β ladder)trans-123.2135.7172.6-168.9176.2-177.8175.10.5109.1P479 Q650P479-R636 PolarHBondContact O-NH2 3.21Å; R636-Q650 PolarHBondContact N-O 3Å; R636-Q650 PolarHBondContact O-N 2.83Å
637F72.7Confident69.3Low13 Ų1365.7 Ų65.76%0.05735%0.347CS..EExtended strand (participates in β ladder)trans-88.2136.3172.4-65.5-84.6000110.1C531 M639 P646 D648 L649 V830 H833 T834 F837C531-F637 HydrophobicContact CB-CD2 4.07Å; C531-F637 VanDerWaalsContact SG-CD2 3.52Å; F637-M639 HydrophobicContact CB-CG 4.45Å; F637-M639 HydrophobicContact CB-SD 3.97Å; F637-P646 HydrophobicContact CB-CB 4.25Å; F637-P646 HydrophobicContact CD1-CB 3.41Å; F637-P646 VanDerWaalsContact CD1-CB 3.41Å; F637-P646 HydrophobicContact CD1-CG 4.39Å; F637-P646 HydrophobicContact CE1-CB 4.04Å; F637-P646 HydrophobicContact CG-CB 4.12Å; F637-D648 WeakPolarHBondContact CA-O 3.36Å; F637-L649 HydrophobicContact CD1-CB 4.35Å; F637-L649 HydrophobicContact CD1-CD1 4.32Å; F637-L649 HydrophobicContact CE1-CB 4.34Å; F637-L649 HydrophobicContact CE1-CD1 3.61Å; F637-L649 HydrophobicContact CE1-CG 4.27Å; F637-L649 HydrophobicContact CZ-CD1 3.8Å; F637-V830 HydrophobicContact CE2-CB 4.41Å; F637-V830 HydrophobicContact CE2-CG1 4.05Å; F637-H833 HydrophobicContact CD1-CB 4.47Å; F637-H833 HydrophobicContact CD2-CB 4.02Å; F637-H833 HydrophobicContact CE1-CB 4.09Å; F637-H833 HydrophobicContact CE2-CB 3.64Å; F637-H833 HydrophobicContact CG-CB 4.41Å; F637-H833 HydrophobicContact CZ-CB 3.67Å; F637-T834 WeakPolarHBondContact CZ-OG1 3.46Å; F637-F837 HydrophobicContact CE1-CB 4.49Å
638H66.4Low68.4Low87 Ų8768.2 Ų68.240%0.40336%0.36SS..EExtended strand (participates in β ladder)trans-88.9114.9158.7-74.1-77.7000107.8I647 D648 Q650H638-I647 PolarHBondContact O-N 2.78Å; H638-D648 HydrophobicContact CB-CB 4.41Å; H638-D648 PolarHBondContact N-O 3.13Å; H638-D648 PolarHBondContact O-N 3.17Å; H638-Q650 PolarHBondContact CD2-OE1 3.49Å; H638-Q650 VanDerWaalsContact NE2-CD 3.25Å; H638-Q650 PolarHBondContact NE2-OE1 2.85Å
639M67.2Low67.7Low45 Ų4568.1 Ų68.122%0.22236%0.36CS..EExtended strand (participates in β ladder)trans-92.9143.1-177.2-57.5-70.7-86.400109.4K424 F637 H644 D645 P646K424-M639 VanDerWaalsContact NZ-CE 3.3Å; F637-M639 HydrophobicContact CB-CG 4.45Å; F637-M639 HydrophobicContact CB-SD 3.97Å; M639-H644 WeakPolarHBondContact CE-O 3.49Å; M639-D645 CarbonylContact C-O 3.57Å; M639-D645 WeakPolarHBondContact CA-O 3.43Å; M639-P646 HydrophobicContact SD-CB 4.12Å
640D63.1Low67Low47 Ų4769.6 Ų69.625%0.25136%0.362SS..  trans-64.4137.6170.2-170.4-88000110.5E642 T643 H644 D645 I647D640-E642 VanDerWaalsContact C-N 3.29Å; D640-E642 PolarHBondContact O-N 3.47Å; D640-E642 WeakPolarHBondContact OD1-CA 3.46Å; D640-E642 PolarHBondContact OD1-N 2.88Å; D640-T643 PolarHBondContact OD1-N 3.34Å; D640-H644 WeakPolarHBondContact O-CA 2.97Å; D640-H644 PolarHBondContact O-N 2.96Å; D640-H644 PolarHBondContact O-ND1 3.4Å; D640-H644 VanDerWaalsContact O-ND1 3.11Å; D640-D645 PolarHBondContact N-O 3Å; D640-I647 HydrophobicContact CB-CD1 3.77Å; D640-I647 HydrophobicContact CB-CG1 3.87Å
641S45.5Very low66.5Low104 Ų10470.5 Ų70.573%0.72737%0.37SS*.THydrogen-bonded Turntrans-70.8-24.5-176.548.30000113.4
642E53.9Low66.6Low176 Ų17674.2 Ų74.282%0.82238%0.382SS*.THydrogen-bonded Turntrans-100.3-47.6-178.6-64.5-173174.200111.9D640D640-E642 VanDerWaalsContact C-N 3.29Å; D640-E642 PolarHBondContact O-N 3.47Å; D640-E642 WeakPolarHBondContact OD1-CA 3.46Å; D640-E642 PolarHBondContact OD1-N 2.88Å
643T58.1Low66.8Low80 Ų8078.1 Ų78.149%0.49139%0.392SS..THydrogen-bonded Turntrans-91-15.6-176.476.10000113.4D640 D645D640-T643 PolarHBondContact OD1-N 3.34Å; T643-D645 VanDerWaalsContact CB-OD2 3.3Å; T643-D645 WeakPolarHBondContact CB-OD2 3.48Å; T643-D645 PolarHBondContact O-N 2.95Å; T643-D645 WeakPolarHBondContact OG1-CB 3.42Å; T643-D645 VanDerWaalsContact OG1-CG 3.28Å; T643-D645 PolarHBondContact OG1-N 2.9Å; T643-D645 PolarHBondContact OG1-OD2 3.15Å
644H62.6Low67.5Low107 Ų10782.4 Ų82.450%0.49541%0.414SS..  trans52.532.1-170.4-61.8-26.2000113.2K424 M639 D640K424-H644 PolarHBondContact NZ-O 2.92Å; M639-H644 WeakPolarHBondContact CE-O 3.49Å; D640-H644 WeakPolarHBondContact O-CA 2.97Å; D640-H644 PolarHBondContact O-N 2.96Å; D640-H644 PolarHBondContact O-ND1 3.4Å; D640-H644 VanDerWaalsContact O-ND1 3.11Å
645D67.9Low68.4Low64 Ų6480.6 Ų80.634%0.34241%0.407SS..  trans-90.6148.2170.6-67.7-44.9000111.3M639 D640 T643 I647M639-D645 CarbonylContact C-O 3.57Å; M639-D645 WeakPolarHBondContact CA-O 3.43Å; D640-D645 PolarHBondContact N-O 3Å; T643-D645 VanDerWaalsContact CB-OD2 3.3Å; T643-D645 WeakPolarHBondContact CB-OD2 3.48Å; T643-D645 PolarHBondContact O-N 2.95Å; T643-D645 WeakPolarHBondContact OG1-CB 3.42Å; T643-D645 VanDerWaalsContact OG1-CG 3.28Å; T643-D645 PolarHBondContact OG1-N 2.9Å; T643-D645 PolarHBondContact OG1-OD2 3.15Å; D645-I647 PolarHBondContact O-N 3.46Å; D645-I647 VanDerWaalsContact O-N 3.17Å
646P69.9Low69.3Low13 Ų1383.2 Ų83.28%0.08442%0.417CS..EExtended strand (participates in β ladder)trans-69.9111.5175.727.4-32.4000111.2F637 M639 L836 F837F637-P646 HydrophobicContact CB-CB 4.25Å; F637-P646 HydrophobicContact CD1-CB 3.41Å; F637-P646 VanDerWaalsContact CD1-CB 3.41Å; F637-P646 HydrophobicContact CD1-CG 4.39Å; F637-P646 HydrophobicContact CE1-CB 4.04Å; F637-P646 HydrophobicContact CG-CB 4.12Å; M639-P646 HydrophobicContact SD-CB 4.12Å; P646-L836 HydrophobicContact CG-CB 4.43Å; P646-L836 HydrophobicContact CG-CD2 4.4Å; P646-L836 HydrophobicContact CG-CG 4.42Å; P646-F837 HydrophobicContact CB-CB 4.42Å; P646-F837 HydrophobicContact CB-CD2 4.46Å; P646-F837 HydrophobicContact CG-CB 3.98Å
647I72.4Confident70.3Confident90 Ų9077 Ų7746%0.46239%0.393SS..EExtended strand (participates in β ladder)trans-77.4-47.4175.3-59.5170.5000110.1H638 D640 D645 R841H638-I647 PolarHBondContact O-N 2.78Å; D640-I647 HydrophobicContact CB-CD1 3.77Å; D640-I647 HydrophobicContact CB-CG1 3.87Å; D645-I647 PolarHBondContact O-N 3.46Å; D645-I647 VanDerWaalsContact O-N 3.17Å; I647-R841 PolarHBondContact O-NH2 3.43Å
648D70.8Confident71.2Confident55 Ų5577.5 Ų77.529%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-142.3147.3-172.8-160.433.9000111.6F637 H638 Q650 R841F637-D648 WeakPolarHBondContact CA-O 3.36Å; H638-D648 HydrophobicContact CB-CB 4.41Å; H638-D648 PolarHBondContact N-O 3.13Å; H638-D648 PolarHBondContact O-N 3.17Å; D648-Q650 WeakPolarHBondContact OD2-CG 3.36Å; D648-Q650 PolarHBondContact OD2-NE2 3.44Å; D648-R841 IonicContact OD1-NH2 3.13Å
649L74.4Confident72.4Confident12 Ų1274.2 Ų74.26%0.06338%0.383CS..EExtended strand (participates in β ladder)trans-115.5117.3177.3-177.4154.8000107.8V635 F637 F865V635-L649 HydrophobicContact CB-CD1 4.43Å; V635-L649 HydrophobicContact CB-CD2 4.08Å; V635-L649 HydrophobicContact CB-CG 4.21Å; V635-L649 HydrophobicContact CG1-CD2 3.87Å; F637-L649 HydrophobicContact CD1-CB 4.35Å; F637-L649 HydrophobicContact CD1-CD1 4.32Å; F637-L649 HydrophobicContact CE1-CB 4.34Å; F637-L649 HydrophobicContact CE1-CD1 3.61Å; F637-L649 HydrophobicContact CE1-CG 4.27Å; F637-L649 HydrophobicContact CZ-CD1 3.8Å; L649-F865 HydrophobicContact CD2-CB 4.31Å; L649-F865 HydrophobicContact CD2-CD1 4.31Å
650Q68.9Low73.7Confident92 Ų9272 Ų7243%0.4337%0.373SS..EExtended strand (participates in β ladder)trans-119.2137.8-178.5-67.2-179.92.200110.2R636 H638 D648R636-Q650 PolarHBondContact N-O 3Å; R636-Q650 PolarHBondContact O-N 2.83Å; H638-Q650 PolarHBondContact CD2-OE1 3.49Å; H638-Q650 VanDerWaalsContact NE2-CD 3.25Å; H638-Q650 PolarHBondContact NE2-OE1 2.85Å; D648-Q650 WeakPolarHBondContact OD2-CG 3.36Å; D648-Q650 PolarHBondContact OD2-NE2 3.44Å
651T69.4Low75.2Confident74 Ų7470.2 Ų70.245%0.45436%0.363SS..EExtended strand (participates in β ladder)trans-74.1134.3167.951.60000108.8E653T651-E653 PolarHBondContact O-N 3.4Å
652K70.4Confident77.4Confident115 Ų11569.3 Ų69.350%0.535%0.348SS..PPolyproline II helixtrans-64.3116.2178.1-176.2177.4169.1-171.80110.4E634E634-K652 HydrophobicContact CB-CB 4.38Å; E634-K652 HydrophobicContact CB-CD 4.44Å; E634-K652 PolarHBondContact O-N 3.33Å; E634-K652 VanDerWaalsContact O-N 3.12Å; E634-K652 WeakPolarHBondContact OE2-CD 3.08Å; E634-K652 IonicContact OE2-NZ 2.66Å; E634-K652 PolarHBondContact OE2-NZ 3.14Å
653E74.3Confident79.4Confident157 Ų15761.3 Ų61.373%0.73431%0.31SS*.PPolyproline II helixtrans-79.5131.5172.4-167.4173-170.400109.6T651T651-E653 PolarHBondContact O-N 3.4Å
654L79.6Confident81.3Confident137 Ų13757.5 Ų57.572%0.71729%0.287SS*.PPolyproline II helixtrans-91.4119.6178-67.7172.6000109.4
655M87.4Confident83Confident64 Ų6453.3 Ų53.332%0.31527%0.268SS..PPolyproline II helixtrans-95.7164.8176.2-58.6-179.7178.100111.3A589 T657 N658 S659A589-M655 HydrophobicContact CB-CE 4.26Å; A589-M655 HydrophobicContact CB-SD 4.36Å; M655-T657 PolarHBondContact O-N 3.14Å; M655-N658 WeakPolarHBondContact CB-OD1 3.42Å; M655-N658 PolarHBondContact N-OD1 2.88Å; M655-N658 WeakPolarHBondContact O-CB 3.24Å; M655-N658 PolarHBondContact O-N 2.6Å; M655-N658 VanDerWaalsContact O-N 3.16Å; M655-S659 PolarHBondContact O-N 3.2Å
656E90.7Very high84.3Confident84 Ų8451 Ų5139%0.39326%0.255SS..Hα-helixtrans-61.6-36.4175.1-64-163.9152.400111.3N612 K616 N658 S659 M660N612-E656 PolarHBondContact ND2-OE2 2.7Å; N612-E656 VanDerWaalsContact ND2-OE2 3.13Å; K616-E656 WeakPolarHBondContact CE-OE1 3.33Å; K616-E656 WeakPolarHBondContact CE-OE2 3.33Å; K616-E656 IonicContact NZ-OE1 2.75Å; K616-E656 PolarHBondContact NZ-OE1 3.43Å; K616-E656 IonicContact NZ-OE2 3.23Å; K616-E656 PolarHBondContact NZ-OE2 3.28Å; E656-N658 VanDerWaalsContact C-N 3.29Å; E656-N658 PolarHBondContact O-N 2.86Å; E656-S659 CarbonylContact O-C 3.58Å; E656-S659 WeakPolarHBondContact O-CA 3.36Å; E656-S659 WeakPolarHBondContact O-CB 3.31Å; E656-S659 PolarHBondContact O-N 3.16Å; E656-M660 PolarHBondContact O-N 3.32Å
657T90.8Very high85.6Confident0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-59.6-34.4175.148.20000113.4Y588 A591 Q592 I595 M655 S659 M660 V661Y588-T657 PolarHBondContact O-OG1 3.43Å; Y588-T657 VanDerWaalsContact O-OG1 3.08Å; A591-T657 HydrophobicContact CB-CG2 3.88Å; Q592-T657 HydrophobicContact CB-CG2 3.99Å; I595-T657 HydrophobicContact CD1-CG2 3.64Å; M655-T657 PolarHBondContact O-N 3.14Å; T657-S659 VanDerWaalsContact C-N 3.35Å; T657-M660 PolarHBondContact O-N 3.24Å; T657-V661 PolarHBondContact O-N 2.99Å; T657-V661 VanDerWaalsContact O-N 3.14Å
658N90.4Very high86.8Confident24 Ų2447.3 Ų47.313%0.12824%0.235CC..Hα-helixtrans-61.6-46.7172.4-64.3107.4000110.8Y588 M655 E656 M660 E662Y588-N658 HydrophobicContact CD1-CB 4.39Å; Y588-N658 WeakPolarHBondContact CD1-ND2 3.41Å; Y588-N658 WeakPolarHBondContact CD2-ND2 3.41Å; Y588-N658 HydrophobicContact CE1-CB 4.25Å; Y588-N658 WeakPolarHBondContact CE1-ND2 3.18Å; Y588-N658 WeakPolarHBondContact CE2-ND2 3.4Å; Y588-N658 VanDerWaalsContact CZ-ND2 3.29Å; M655-N658 WeakPolarHBondContact CB-OD1 3.42Å; M655-N658 PolarHBondContact N-OD1 2.88Å; M655-N658 WeakPolarHBondContact O-CB 3.24Å; M655-N658 PolarHBondContact O-N 2.6Å; M655-N658 VanDerWaalsContact O-N 3.16Å; E656-N658 VanDerWaalsContact C-N 3.29Å; E656-N658 PolarHBondContact O-N 2.86Å; N658-M660 VanDerWaalsContact C-N 3.3Å; N658-M660 PolarHBondContact O-N 2.97Å; N658-E662 WeakPolarHBondContact O-CB 3.45Å; N658-E662 PolarHBondContact O-N 3.06Å
659S92.1Very high88.1Confident18 Ų1844.9 Ų44.913%0.12622%0.222CC..Hα-helixtrans-66-34.5178-164.30000112K619 M655 E656 T657 E662 E663K619-S659 WeakPolarHBondContact CD-OG 3.49Å; K619-S659 PolarHBondContact NZ-OG 3.46Å; M655-S659 PolarHBondContact O-N 3.2Å; E656-S659 CarbonylContact O-C 3.58Å; E656-S659 WeakPolarHBondContact O-CA 3.36Å; E656-S659 WeakPolarHBondContact O-CB 3.31Å; E656-S659 PolarHBondContact O-N 3.16Å; T657-S659 VanDerWaalsContact C-N 3.35Å; S659-E662 PolarHBondContact O-N 2.83Å; S659-E663 WeakPolarHBondContact O-CG 3.21Å; S659-E663 PolarHBondContact O-N 3.05Å; S659-E663 VanDerWaalsContact O-N 3.14Å
660M95.5Very high89.3Confident0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-61.1-52.4177.4179.6-16772.100111.3V476 I595 L608 L611 N612 A615 E656 T657 N658 E662 E663 F664V476-M660 HydrophobicContact CG2-CE 4.5Å; I595-M660 HydrophobicContact CD1-SD 4.43Å; L608-M660 HydrophobicContact CD2-CE 3.94Å; L611-M660 HydrophobicContact CB-CG 4.09Å; L611-M660 HydrophobicContact CB-SD 3.61Å; N612-M660 HydrophobicContact CB-CG 4.5Å; N612-M660 HydrophobicContact CB-SD 4.02Å; A615-M660 HydrophobicContact CB-CB 4.1Å; A615-M660 HydrophobicContact CB-CG 3.99Å; E656-M660 PolarHBondContact O-N 3.32Å; T657-M660 PolarHBondContact O-N 3.24Å; N658-M660 VanDerWaalsContact C-N 3.3Å; N658-M660 PolarHBondContact O-N 2.97Å; M660-E662 VanDerWaalsContact C-N 3.34Å; M660-E662 PolarHBondContact O-N 3.26Å; M660-E663 PolarHBondContact O-N 3.12Å; M660-F664 HydrophobicContact CG-CD2 4.42Å; M660-F664 HydrophobicContact CG-CE2 4.29Å; M660-F664 VanDerWaalsContact O-CD2 3.27Å; M660-F664 WeakPolarHBondContact O-CD2 3.46Å; M660-F664 PolarHBondContact O-N 3.35Å
661V93.6Very high90.7Very high8 Ų842.3 Ų42.35%0.04821%0.212CC..Hα-helixtrans-62.3-43.6178177.10000110.3V476 L488 Y588 T657 E663 F664 M665V476-V661 HydrophobicContact CB-CG2 4.06Å; V476-V661 HydrophobicContact CG1-CG2 4.43Å; L488-V661 HydrophobicContact CD1-CG2 4.01Å; Y588-V661 HydrophobicContact CE1-CG2 4.17Å; T657-V661 PolarHBondContact O-N 2.99Å; T657-V661 VanDerWaalsContact O-N 3.14Å; V661-E663 PolarHBondContact O-N 2.77Å; V661-F664 PolarHBondContact O-N 3.45Å; V661-M665 HydrophobicContact CG1-CE 4.32Å; V661-M665 HydrophobicContact CG1-CG 4.01Å; V661-M665 VanDerWaalsContact O-CG 3.29Å; V661-M665 WeakPolarHBondContact O-CG 3.37Å; V661-M665 PolarHBondContact O-N 3.32Å
662E92.9Very high92.1Very high86 Ų8638.8 Ų38.840%0.40219%0.19SC..Hα-helixtrans-53.1-50.8179.1-172.9-169.1157.900112.4R622 N658 S659 M660 F664 M665 L666R622-E662 IonicContact CZ-OE1 3.5Å; R622-E662 IonicContact NH1-OE1 3.33Å; R622-E662 IonicContact NH2-OE1 2.74Å; R622-E662 PolarHBondContact NH2-OE1 2.69Å; N658-E662 WeakPolarHBondContact O-CB 3.45Å; N658-E662 PolarHBondContact O-N 3.06Å; S659-E662 PolarHBondContact O-N 2.83Å; M660-E662 VanDerWaalsContact C-N 3.34Å; M660-E662 PolarHBondContact O-N 3.26Å; E662-F664 PolarHBondContact O-N 2.81Å; E662-M665 PolarHBondContact O-N 2.99Å; E662-L666 HydrophobicContact CG-CD1 4.06Å; E662-L666 HydrophobicContact CG-CG 4.41Å; E662-L666 WeakPolarHBondContact O-CB 3.35Å; E662-L666 VanDerWaalsContact O-CG 3.29Å; E662-L666 WeakPolarHBondContact O-CG 3.45Å; E662-L666 PolarHBondContact O-N 2.96Å
663E96.1Very high93.4Very high8 Ų833.3 Ų33.34%0.03717%0.167CC..Hα-helixtrans-64-38.9-176.3-66.4-59.2147.200112.7A615 L618 K619 R622 S659 M660 V661 L666 L667A615-E663 HydrophobicContact CB-CB 4.28Å; A615-E663 HydrophobicContact CB-CG 4.47Å; L618-E663 HydrophobicContact CB-CB 4.22Å; L618-E663 HydrophobicContact CB-CG 4.43Å; L618-E663 HydrophobicContact CD1-CB 4.41Å; K619-E663 HydrophobicContact CB-CG 3.97Å; K619-E663 WeakPolarHBondContact CB-OE1 3.38Å; R622-E663 IonicContact CZ-OE1 3.68Å; R622-E663 IonicContact NE-OE1 2.63Å; R622-E663 PolarHBondContact NE-OE1 3.33Å; R622-E663 IonicContact NE-OE2 2.62Å; R622-E663 PolarHBondContact NE-OE2 3Å; R622-E663 IonicContact NH2-OE1 2.93Å; R622-E663 PolarHBondContact NH2-OE1 3.48Å; S659-E663 WeakPolarHBondContact O-CG 3.21Å; S659-E663 PolarHBondContact O-N 3.05Å; S659-E663 VanDerWaalsContact O-N 3.14Å; M660-E663 PolarHBondContact O-N 3.12Å; V661-E663 PolarHBondContact O-N 2.77Å; E663-L666 PolarHBondContact O-N 3.48Å; E663-L667 WeakPolarHBondContact O-CB 3.4Å; E663-L667 PolarHBondContact O-N 3.07Å
664F97.6Very high94.5Very high0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-72.9-35.2177.3-73.9-65.6000112.8L488 V500 V502 L611 L614 A615 L618 M660 V661 E662 L667 A668L488-F664 HydrophobicContact CD2-CB 3.94Å; L488-F664 HydrophobicContact CD2-CG 4.35Å; V500-F664 HydrophobicContact CG1-CD1 3.95Å; V500-F664 HydrophobicContact CG1-CE1 3.59Å; V500-F664 HydrophobicContact CG1-CZ 4.19Å; V502-F664 HydrophobicContact CG2-CB 3.98Å; L611-F664 HydrophobicContact CB-CE2 3.78Å; L611-F664 HydrophobicContact CB-CZ 4.37Å; L611-F664 HydrophobicContact CD2-CD2 3.99Å; L611-F664 HydrophobicContact CD2-CE1 4.22Å; L611-F664 HydrophobicContact CD2-CE2 3.47Å; L611-F664 VanDerWaalsContact CD2-CE2 3.47Å; L611-F664 HydrophobicContact CD2-CZ 3.58Å; L611-F664 HydrophobicContact CG-CE2 4.23Å; L611-F664 WeakPolarHBondContact O-CE2 3.16Å; L614-F664 HydrophobicContact CB-CZ 3.9Å; L614-F664 HydrophobicContact CD1-CZ 4.43Å; A615-F664 HydrophobicContact CB-CE2 4.1Å; L618-F664 HydrophobicContact CD1-CD1 4.4Å; L618-F664 HydrophobicContact CD1-CE1 4.05Å; L618-F664 HydrophobicContact CD1-CZ 4.45Å; M660-F664 HydrophobicContact CG-CD2 4.42Å; M660-F664 HydrophobicContact CG-CE2 4.29Å; M660-F664 VanDerWaalsContact O-CD2 3.27Å; M660-F664 WeakPolarHBondContact O-CD2 3.46Å; M660-F664 PolarHBondContact O-N 3.35Å; V661-F664 PolarHBondContact O-N 3.45Å; E662-F664 PolarHBondContact O-N 2.81Å; F664-L667 PolarHBondContact O-N 2.83Å; F664-A668 WeakPolarHBondContact O-CB 3.35Å; F664-A668 PolarHBondContact O-N 2.85Å
665M96.9Very high95.4Very high18 Ų1825.8 Ų25.89%0.08913%0.127CC..Hα-helixtrans-65.7-41.6172.8-66.1-53.8125.900111.5D486 L488 V502 I504 V661 E662 L667 A668 N669 T774D486-M665 HydrophobicContact CB-CE 3.79Å; D486-M665 HydrophobicContact CB-SD 3.95Å; D486-M665 WeakPolarHBondContact OD2-CE 3.38Å; L488-M665 HydrophobicContact CD1-CE 4.46Å; L488-M665 HydrophobicContact CD2-CE 3.85Å; L488-M665 HydrophobicContact CG-CE 4.26Å; V502-M665 HydrophobicContact CG1-CE 3.77Å; V502-M665 HydrophobicContact CG1-SD 4.14Å; V502-M665 HydrophobicContact CG2-CE 4.04Å; I504-M665 HydrophobicContact CD1-SD 4.21Å; V661-M665 HydrophobicContact CG1-CE 4.32Å; V661-M665 HydrophobicContact CG1-CG 4.01Å; V661-M665 VanDerWaalsContact O-CG 3.29Å; V661-M665 WeakPolarHBondContact O-CG 3.37Å; V661-M665 PolarHBondContact O-N 3.32Å; E662-M665 PolarHBondContact O-N 2.99Å; M665-L667 VanDerWaalsContact C-N 3.34Å; M665-A668 PolarHBondContact O-N 3.38Å; M665-N669 WeakPolarHBondContact O-CB 3.22Å; M665-N669 PolarHBondContact O-N 2.92Å; M665-N669 PolarHBondContact O-ND2 2.93Å; M665-N669 VanDerWaalsContact O-ND2 3.14Å; M665-T774 HydrophobicContact CB-CG2 4.07Å; M665-T774 HydrophobicContact CG-CG2 4.31Å; M665-T774 VanDerWaalsContact SD-CB 3.58Å; M665-T774 HydrophobicContact SD-CG2 3.43Å; M665-T774 WeakPolarHBondContact SD-CG2 3.36Å
666L96.1Very high95.9Very high15 Ų1522.8 Ų22.88%0.07911%0.112CC..Hα-helixtrans-60.9-44.2173.7-71.9175.7000111.2E662 E663 N669 I670 L765 Y770E662-L666 HydrophobicContact CG-CD1 4.06Å; E662-L666 HydrophobicContact CG-CG 4.41Å; E662-L666 WeakPolarHBondContact O-CB 3.35Å; E662-L666 VanDerWaalsContact O-CG 3.29Å; E662-L666 WeakPolarHBondContact O-CG 3.45Å; E662-L666 PolarHBondContact O-N 2.96Å; E663-L666 PolarHBondContact O-N 3.48Å; L666-N669 PolarHBondContact O-N 3.04Å; L666-I670 VanDerWaalsContact O-CG1 3.28Å; L666-I670 WeakPolarHBondContact O-CG1 3.3Å; L666-I670 PolarHBondContact O-N 3.45Å; L666-L765 HydrophobicContact CD1-CD2 4.12Å; L666-L765 HydrophobicContact CD2-CD1 3.81Å; L666-L765 HydrophobicContact CD2-CD2 3.94Å; L666-Y770 HydrophobicContact CD2-CE2 3.77Å
667L97.8Very high96.2Very high26 Ų2622.6 Ų22.614%0.13611%0.108CC..Hα-helixtrans-63.3-42.1177.8-168.567.4000112.6W562 M564 I570 L618 E663 F664 M665 I670 S671W562-L667 HydrophobicContact CD2-CD2 4.29Å; W562-L667 HydrophobicContact CE3-CD2 4.47Å; W562-L667 HydrophobicContact CH2-CB 4.39Å; W562-L667 HydrophobicContact CH2-CD2 4.31Å; W562-L667 HydrophobicContact CH2-CG 4.31Å; W562-L667 HydrophobicContact CZ2-CB 4.33Å; W562-L667 HydrophobicContact CZ2-CD2 4.11Å; W562-L667 HydrophobicContact CZ2-CG 3.88Å; W562-L667 HydrophobicContact CZ3-CD2 4.49Å; M564-L667 HydrophobicContact CE-CD2 3.43Å; M564-L667 VanDerWaalsContact CE-CD2 3.43Å; I570-L667 HydrophobicContact CD1-CD1 3.77Å; I570-L667 HydrophobicContact CD1-CD2 4.19Å; I570-L667 HydrophobicContact CD1-CG 4.2Å; L618-L667 HydrophobicContact CD1-CD2 4.27Å; E663-L667 WeakPolarHBondContact O-CB 3.4Å; E663-L667 PolarHBondContact O-N 3.07Å; F664-L667 PolarHBondContact O-N 2.83Å; M665-L667 VanDerWaalsContact C-N 3.34Å; L667-I670 PolarHBondContact O-N 2.81Å; L667-S671 WeakPolarHBondContact O-CB 3.49Å; L667-S671 PolarHBondContact O-N 3.48Å; L667-S671 PolarHBondContact O-OG 2.79Å
668A97.8Very high96.5Very high0 Ų029.3 Ų29.30%014%0.14CC..Hα-helixtrans-57.8-51.7173.200000110.8V502 W562 F664 M665 I670 S671 V672 T774V502-A668 HydrophobicContact CB-CB 4.37Å; V502-A668 HydrophobicContact CG1-CB 4.05Å; V502-A668 HydrophobicContact CG2-CB 4.46Å; W562-A668 HydrophobicContact CH2-CB 3.84Å; W562-A668 HydrophobicContact CZ2-CB 4.31Å; F664-A668 WeakPolarHBondContact O-CB 3.35Å; F664-A668 PolarHBondContact O-N 2.85Å; M665-A668 PolarHBondContact O-N 3.38Å; A668-I670 PolarHBondContact O-N 3.12Å; A668-S671 PolarHBondContact O-N 3.08Å; A668-V672 WeakPolarHBondContact O-CB 3.44Å; A668-V672 VanDerWaalsContact O-CG2 3.3Å; A668-V672 WeakPolarHBondContact O-CG2 3.29Å; A668-V672 PolarHBondContact O-N 2.61Å; A668-T774 HydrophobicContact CB-CG2 4.02Å
669N98.3Very high96.8Very high4 Ų432.6 Ų32.62%0.02116%0.155CC..Hα-helixtrans-58.5-44.8179.7-77.5-27.7000112.4M665 L666 A673 Y770 T771 F773 T774M665-N669 WeakPolarHBondContact O-CB 3.22Å; M665-N669 PolarHBondContact O-N 2.92Å; M665-N669 PolarHBondContact O-ND2 2.93Å; M665-N669 VanDerWaalsContact O-ND2 3.14Å; L666-N669 PolarHBondContact O-N 3.04Å; N669-A673 VanDerWaalsContact O-CB 3.24Å; N669-A673 WeakPolarHBondContact O-CB 3.47Å; N669-A673 PolarHBondContact O-N 3.23Å; N669-Y770 HydrophobicContact CB-CD2 4.11Å; N669-Y770 HydrophobicContact CB-CE2 3.48Å; N669-Y770 VanDerWaalsContact CB-CE2 3.48Å; N669-Y770 PolarHBondContact ND2-OH 3.01Å; N669-Y770 VanDerWaalsContact ND2-OH 3.11Å; N669-T771 WeakPolarHBondContact CB-O 2.87Å; N669-T771 VanDerWaalsContact CG-O 3.26Å; N669-F773 WeakPolarHBondContact OD1-CB 3.46Å; N669-F773 PolarHBondContact OD1-N 3.36Å; N669-T774 WeakPolarHBondContact OD1-CG2 3.27Å
670I98.3Very high97Very high42 Ų4233.2 Ų33.222%0.21516%0.155CC..Hα-helixtrans-66.8-46178.5-66.5165.9000110.9L666 L667 A668 V672 A673 Q674 Y770L666-I670 VanDerWaalsContact O-CG1 3.28Å; L666-I670 WeakPolarHBondContact O-CG1 3.3Å; L666-I670 PolarHBondContact O-N 3.45Å; L667-I670 PolarHBondContact O-N 2.81Å; A668-I670 PolarHBondContact O-N 3.12Å; I670-V672 VanDerWaalsContact C-N 3.33Å; I670-V672 PolarHBondContact O-N 3.07Å; I670-A673 PolarHBondContact O-N 3.21Å; I670-Q674 WeakPolarHBondContact O-CG 3.46Å; I670-Q674 PolarHBondContact O-N 3.47Å; I670-Y770 HydrophobicContact CG1-CD2 3.97Å
671S98.4Very high97Very high8 Ų836.4 Ų36.46%0.05618%0.175CC..Hα-helixtrans-62-42.1-179.9-57.50000111.5W562 L667 A668 K675W562-S671 PolarHBondContact NE1-OG 3.08Å; L667-S671 WeakPolarHBondContact O-CB 3.49Å; L667-S671 PolarHBondContact O-N 3.48Å; L667-S671 PolarHBondContact O-OG 2.79Å; A668-S671 PolarHBondContact O-N 3.08Å; S671-K675 PolarHBondContact O-N 3.46Å; S671-K675 VanDerWaalsContact O-N 3.15Å
672V98.5Very high97Very high0 Ų042.3 Ų42.30%020%0.202CC..Hα-helixtrans-67.5-43.2176171.60000111F575 A668 I670 Q674 K675 I676 T771 F773 V785 L789F575-V672 HydrophobicContact CD1-CG2 4.17Å; F575-V672 HydrophobicContact CE1-CG2 3.51Å; F575-V672 HydrophobicContact CZ-CG2 4.25Å; A668-V672 WeakPolarHBondContact O-CB 3.44Å; A668-V672 VanDerWaalsContact O-CG2 3.3Å; A668-V672 WeakPolarHBondContact O-CG2 3.29Å; A668-V672 PolarHBondContact O-N 2.61Å; I670-V672 VanDerWaalsContact C-N 3.33Å; I670-V672 PolarHBondContact O-N 3.07Å; V672-Q674 VanDerWaalsContact C-N 3.3Å; V672-Q674 PolarHBondContact O-N 3.44Å; V672-K675 PolarHBondContact O-N 3.33Å; V672-I676 HydrophobicContact CG1-CG2 4.12Å; V672-I676 WeakPolarHBondContact O-CG1 3.4Å; V672-I676 PolarHBondContact O-N 3.11Å; V672-T771 HydrophobicContact CG1-CG2 4.37Å; V672-F773 HydrophobicContact CB-CB 4.33Å; V672-F773 HydrophobicContact CB-CG 4.3Å; V672-F773 HydrophobicContact CG1-CB 4.18Å; V672-F773 HydrophobicContact CG1-CD2 4.04Å; V672-F773 HydrophobicContact CG1-CG 4.16Å; V672-F773 HydrophobicContact CG2-CB 4.35Å; V672-F773 HydrophobicContact CG2-CD1 3.83Å; V672-F773 HydrophobicContact CG2-CD2 4.13Å; V672-F773 HydrophobicContact CG2-CE1 4.11Å; V672-F773 HydrophobicContact CG2-CE2 4.4Å; V672-F773 HydrophobicContact CG2-CG 3.84Å; V672-F773 HydrophobicContact CG2-CZ 4.39Å; V672-V785 HydrophobicContact CG1-CG1 3.47Å; V672-V785 VanDerWaalsContact CG1-CG1 3.47Å; V672-L789 HydrophobicContact CG1-CD1 4.42Å; V672-L789 HydrophobicContact CG1-CD2 4Å; V672-L789 HydrophobicContact CG2-CD2 3.81Å
673A98.3Very high97Very high0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-57.2-44177.800000111.9N669 I670 I676 Y677 L686 I769 T771N669-A673 VanDerWaalsContact O-CB 3.24Å; N669-A673 WeakPolarHBondContact O-CB 3.47Å; N669-A673 PolarHBondContact O-N 3.23Å; I670-A673 PolarHBondContact O-N 3.21Å; A673-I676 WeakPolarHBondContact O-CG1 3.24Å; A673-Y677 VanDerWaalsContact O-CB 3.23Å; A673-Y677 WeakPolarHBondContact O-CB 3.18Å; A673-Y677 PolarHBondContact O-N 2.89Å; A673-Y677 VanDerWaalsContact O-N 3.12Å; A673-L686 HydrophobicContact CB-CD2 4.1Å; A673-I769 HydrophobicContact CB-CD1 4.43Å; A673-I769 HydrophobicContact CB-CG1 4.1Å; A673-I769 HydrophobicContact CB-CG2 4.34Å; A673-T771 HydrophobicContact CB-CG2 3.77Å
674Q98.1Very high97Very high87 Ų8738.1 Ų38.141%0.40718%0.184SC..Hα-helixtrans-60.2-51.9174.8-71.7172.1-17.300111.1I670 V672 I676 Y677 E678 I769I670-Q674 WeakPolarHBondContact O-CG 3.46Å; I670-Q674 PolarHBondContact O-N 3.47Å; V672-Q674 VanDerWaalsContact C-N 3.3Å; V672-Q674 PolarHBondContact O-N 3.44Å; Q674-I676 PolarHBondContact O-N 2.86Å; Q674-Y677 PolarHBondContact O-N 3.21Å; Q674-E678 WeakPolarHBondContact O-CB 3.2Å; Q674-E678 VanDerWaalsContact O-CG 3.29Å; Q674-E678 WeakPolarHBondContact O-CG 3.33Å; Q674-E678 PolarHBondContact O-N 3.17Å; Q674-I769 HydrophobicContact CG-CG2 3.72Å
675K98.4Very high97Very high50 Ų5038.2 Ų38.222%0.21718%0.184CC..Hα-helixtrans-62.9-42.9-177.217954.7-175.6152.10113.3F575 S671 V672 Y677 E679 L789F575-K675 HydrophobicContact CD2-CB 4.39Å; F575-K675 HydrophobicContact CD2-CG 4.07Å; F575-K675 HydrophobicContact CE2-CB 3.7Å; F575-K675 HydrophobicContact CE2-CG 3.88Å; F575-K675 HydrophobicContact CZ-CB 4.19Å; S671-K675 PolarHBondContact O-N 3.46Å; S671-K675 VanDerWaalsContact O-N 3.15Å; V672-K675 PolarHBondContact O-N 3.33Å; K675-Y677 VanDerWaalsContact C-N 3.33Å; K675-E679 IonicContact NZ-OE2 2.68Å; K675-E679 PolarHBondContact NZ-OE2 2.97Å; K675-E679 PolarHBondContact O-N 3.23Å; K675-L789 HydrophobicContact CB-CD1 4.3Å; K675-L789 HydrophobicContact CG-CD1 3.86Å
676I97.9Very high97.1Very high0 Ų037.4 Ų37.40%018%0.18CC..Hα-helixtrans-70.5-32.2179.667.3178.7000111.9V672 A673 Q674 F680 A684 L686 T771 V785 L788 L789V672-I676 HydrophobicContact CG1-CG2 4.12Å; V672-I676 WeakPolarHBondContact O-CG1 3.4Å; V672-I676 PolarHBondContact O-N 3.11Å; A673-I676 WeakPolarHBondContact O-CG1 3.24Å; Q674-I676 PolarHBondContact O-N 2.86Å; I676-F680 WeakPolarHBondContact O-CA 3.3Å; I676-F680 WeakPolarHBondContact O-CB 3.32Å; I676-F680 PolarHBondContact O-N 3.33Å; I676-A684 HydrophobicContact CD1-CB 4.34Å; I676-A684 HydrophobicContact CG1-CB 4.14Å; I676-L686 HydrophobicContact CD1-CD2 4.33Å; I676-T771 HydrophobicContact CD1-CG2 4.22Å; I676-V785 HydrophobicContact CD1-CG1 4.19Å; I676-V785 HydrophobicContact CD1-CG2 4.36Å; I676-L788 HydrophobicContact CB-CB 4.49Å; I676-L788 HydrophobicContact CG2-CB 4.15Å; I676-L789 HydrophobicContact CG2-CB 4.06Å; I676-L789 HydrophobicContact CG2-CD1 4.15Å
677Y97.5Very high97.1Very high80 Ų8037.9 Ų37.931%0.31418%0.181SC..Hα-helixtrans-74.7-39178.5177.2-102.4000111.9A673 Q674 K675 E679 F680 P681 L686 F760 I769A673-Y677 VanDerWaalsContact O-CB 3.23Å; A673-Y677 WeakPolarHBondContact O-CB 3.18Å; A673-Y677 PolarHBondContact O-N 2.89Å; A673-Y677 VanDerWaalsContact O-N 3.12Å; Q674-Y677 PolarHBondContact O-N 3.21Å; K675-Y677 VanDerWaalsContact C-N 3.33Å; Y677-E679 VanDerWaalsContact C-N 3.27Å; Y677-E679 PolarHBondContact O-N 2.99Å; Y677-F680 CarbonylContact O-C 3.59Å; Y677-P681 HydrophobicContact CE2-CB 4.19Å; Y677-P681 WeakPolarHBondContact O-CA 3.43Å; Y677-P681 WeakPolarHBondContact O-CD 3.37Å; Y677-L686 HydrophobicContact CD2-CD1 4.27Å; Y677-F760 HydrophobicContact CD2-CE2 4.46Å; Y677-F760 HydrophobicContact CE1-CE2 4.43Å; Y677-F760 HydrophobicContact CE2-CD2 4.42Å; Y677-F760 AromaticContact CE2-CE2 3.57Å; Y677-F760 HydrophobicContact CE2-CE2 3.57Å; Y677-F760 AromaticContact CE2-CZ 3.81Å; Y677-F760 HydrophobicContact CE2-CZ 3.81Å; Y677-F760 AromaticContact CZ-CE2 3.56Å; Y677-F760 WeakPolarHBondContact OH-CE2 3.17Å; Y677-I769 HydrophobicContact CD1-CD1 4.06Å; Y677-I769 HydrophobicContact CD2-CD1 4.39Å; Y677-I769 HydrophobicContact CG-CD1 3.75Å
678E96.9Very high96.9Very high141 Ų14137.5 Ų37.566%0.65918%0.178SC*.Hα-helixtrans-58.1-39.8172.9-76.1170.5-172.100112Q674Q674-E678 WeakPolarHBondContact O-CB 3.2Å; Q674-E678 VanDerWaalsContact O-CG 3.29Å; Q674-E678 WeakPolarHBondContact O-CG 3.33Å; Q674-E678 PolarHBondContact O-N 3.17Å
679E96.8Very high96.7Very high94 Ų9438.4 Ų38.444%0.43918%0.183SC..Hα-helixtrans-83.1-38.6-179.7-160.173.5-150.700113K675 Y677 A792K675-E679 IonicContact NZ-OE2 2.68Å; K675-E679 PolarHBondContact NZ-OE2 2.97Å; K675-E679 PolarHBondContact O-N 3.23Å; Y677-E679 VanDerWaalsContact C-N 3.27Å; Y677-E679 PolarHBondContact O-N 2.99Å; E679-A792 HydrophobicContact CB-CB 4.04Å; E679-A792 HydrophobicContact CG-CB 3.91Å
680F95.8Very high96.4Very high31 Ų3139.5 Ų39.514%0.13619%0.19CC..  trans-130.266.9-171.7-56-64.4000112.1I676 Y677 E682 S683 A684 L788 V791 A792 M803I676-F680 WeakPolarHBondContact O-CA 3.3Å; I676-F680 WeakPolarHBondContact O-CB 3.32Å; I676-F680 PolarHBondContact O-N 3.33Å; Y677-F680 CarbonylContact O-C 3.59Å; F680-E682 PolarHBondContact O-N 3.38Å; F680-E682 VanDerWaalsContact O-N 3.15Å; F680-S683 PolarHBondContact O-N 3.14Å; F680-A684 WeakPolarHBondContact O-CB 3.49Å; F680-A684 PolarHBondContact O-N 3.43Å; F680-L788 HydrophobicContact CD2-CB 4.48Å; F680-L788 HydrophobicContact CD2-CD2 4.03Å; F680-L788 HydrophobicContact CE2-CD2 4.46Å; F680-L788 WeakPolarHBondContact CE2-O 3.31Å; F680-L788 HydrophobicContact CG-CD2 4.4Å; F680-V791 HydrophobicContact CE2-CB 4.44Å; F680-V791 HydrophobicContact CE2-CG1 4.48Å; F680-V791 HydrophobicContact CZ-CB 4.15Å; F680-V791 HydrophobicContact CZ-CG1 3.72Å; F680-A792 HydrophobicContact CE2-CB 3.88Å; F680-M803 HydrophobicContact CD1-CE 3.82Å; F680-M803 HydrophobicContact CD1-SD 3.8Å; F680-M803 HydrophobicContact CE1-CE 3.55Å; F680-M803 HydrophobicContact CE1-SD 4.03Å; F680-M803 HydrophobicContact CE2-CE 4.49Å; F680-M803 HydrophobicContact CG-CE 4.42Å; F680-M803 HydrophobicContact CZ-CE 3.93Å
681P94.9Very high96Very high66 Ų6640.4 Ų40.443%0.42920%0.204SC..THydrogen-bonded Turntrans-64.3-23.9-173.124.4-34.8000113.9Y677 S754Y677-P681 HydrophobicContact CE2-CB 4.19Å; Y677-P681 WeakPolarHBondContact O-CA 3.43Å; Y677-P681 WeakPolarHBondContact O-CD 3.37Å; P681-S754 VanDerWaalsContact C-OG 3.29Å; P681-S754 VanDerWaalsContact O-CB 3.23Å; P681-S754 WeakPolarHBondContact O-CB 3.32Å; P681-S754 PolarHBondContact O-OG 3.01Å
682E93.4Very high95.6Very high132 Ų13240.6 Ų40.662%0.61721%0.205SC*.THydrogen-bonded Turntrans-96.6-12.6-178.9-62-166.8175.100114.7F680 G755F680-E682 PolarHBondContact O-N 3.38Å; F680-E682 VanDerWaalsContact O-N 3.15Å; E682-G755 WeakPolarHBondContact O-CA 3.13Å; E682-G755 PolarHBondContact O-N 3.33Å; E682-G755 VanDerWaalsContact O-N 3.07Å
683S93.5Very high95Very high7 Ų743.3 Ų43.35%0.04922%0.222CC..THydrogen-bonded Turntrans-1335-171.958.30000114.4F680 L685 S754 M803F680-S683 PolarHBondContact O-N 3.14Å; S683-L685 PolarHBondContact O-N 3.24Å; S683-S754 PolarHBondContact N-OG 3.47Å; S683-M803 PolarHBondContact OG-SD 2.86Å
684A96.3Very high94.4Very high0 Ų048.2 Ų48.20%025%0.254CS..  trans-64.4131.4176.500000111.5I676 F680 L686 S754I676-A684 HydrophobicContact CD1-CB 4.34Å; I676-A684 HydrophobicContact CG1-CB 4.14Å; F680-A684 WeakPolarHBondContact O-CB 3.49Å; F680-A684 PolarHBondContact O-N 3.43Å; A684-L686 HydrophobicContact CB-CD2 4.49Å; A684-L686 HydrophobicContact CB-CG 4.28Å; A684-S754 PolarHBondContact N-OG 2.99Å; A684-S754 VanDerWaalsContact N-OG 3.12Å; A684-S754 PolarHBondContact O-N 3.2Å; A684-S754 PolarHBondContact O-OG 3.35Å
685L97.4Very high93.7Very high2 Ų247.7 Ų47.71%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-83.9113.8170.5-169156.3000108.8S683 Y751 T771 A781 I784 V785 L788 L815S683-L685 PolarHBondContact O-N 3.24Å; L685-Y751 HydrophobicContact CD2-CD1 3.77Å; L685-Y751 HydrophobicContact CD2-CE1 4.35Å; L685-Y751 HydrophobicContact CD2-CG 4.49Å; L685-T771 PolarHBondContact O-OG1 2.86Å; L685-A781 HydrophobicContact CD2-CB 4.01Å; L685-I784 HydrophobicContact CB-CG2 4.28Å; L685-I784 HydrophobicContact CD1-CB 4.05Å; L685-I784 HydrophobicContact CD1-CG1 4.46Å; L685-I784 HydrophobicContact CD1-CG2 3.96Å; L685-V785 HydrophobicContact CB-CG2 4.35Å; L685-V785 HydrophobicContact CD2-CG2 4.18Å; L685-L788 HydrophobicContact CB-CD1 4.44Å; L685-L815 HydrophobicContact CD1-CD1 4.36Å
686L98.1Very high93.1Very high1 Ų148.3 Ų48.31%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-122.3167.7-177.8-62.6178.3000110.4A673 I676 Y677 A684 Y751 F752 F760 I769A673-L686 HydrophobicContact CB-CD2 4.1Å; I676-L686 HydrophobicContact CD1-CD2 4.33Å; Y677-L686 HydrophobicContact CD2-CD1 4.27Å; A684-L686 HydrophobicContact CB-CD2 4.49Å; A684-L686 HydrophobicContact CB-CG 4.28Å; L686-Y751 CarbonylContact O-C 3.59Å; L686-Y751 VanDerWaalsContact O-CA 3.29Å; L686-Y751 WeakPolarHBondContact O-CA 3.31Å; L686-F752 HydrophobicContact CB-CD1 4.25Å; L686-F752 HydrophobicContact CB-CE1 3.52Å; L686-F752 HydrophobicContact CB-CE2 4.02Å; L686-F752 HydrophobicContact CB-CZ 3.39Å; L686-F752 HydrophobicContact CD1-CE2 4.17Å; L686-F752 HydrophobicContact CD1-CZ 3.86Å; L686-F752 HydrophobicContact CG-CZ 4.27Å; L686-F752 PolarHBondContact N-O 3.4Å; L686-F752 PolarHBondContact O-N 3.13Å; L686-F760 HydrophobicContact CD1-CD1 4.29Å; L686-F760 HydrophobicContact CD1-CG 4.36Å; L686-I769 HydrophobicContact CD1-CD1 3.89Å; L686-I769 HydrophobicContact CD1-CG1 3.99Å; L686-I769 HydrophobicContact CD2-CD1 4.01Å; L686-I769 HydrophobicContact CD2-CG1 3.97Å
687R97.1Very high92.6Very high24 Ų2448.5 Ų48.59%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-132121.7176.6-175176.8-179.8132.6-1.5110V750 Y751 Y770 H772 H819R687-V750 WeakPolarHBondContact CA-O 3.31Å; R687-Y751 HydrophobicContact CB-CD1 3.83Å; R687-Y751 HydrophobicContact CB-CE1 4.06Å; R687-Y751 HydrophobicContact CG-CD1 4.11Å; R687-Y751 HydrophobicContact CG-CE1 4.2Å; R687-Y751 PolarHBondContact NH1-OH 3.32Å; R687-Y770 HydrophobicContact CB-CD1 4.2Å; R687-Y770 PolarHBondContact N-O 2.93Å; R687-H772 VanDerWaalsContact CD-CE1 3.44Å; R687-H772 WeakPolarHBondContact CD-CE1 3.45Å; R687-H772 PolarHBondContact NH1-CE1 3.02Å; R687-H772 PolarHBondContact NH1-ND1 3.48Å; R687-H819 PolarHBondContact NH2-NE2 2.84Å
688K94.3Very high92Very high19 Ų1948.8 Ų48.88%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-111.5161178.467.5-176-173.9170.50112.1A749 V750 F752 D757 D759 H761K688-A749 CarbonylContact O-C 3.56Å; K688-A749 VanDerWaalsContact O-CA 3.24Å; K688-A749 WeakPolarHBondContact O-CA 3.33Å; K688-A749 WeakPolarHBondContact O-CB 3.43Å; K688-V750 HydrophobicContact CG-CG2 3.95Å; K688-V750 PolarHBondContact N-O 2.66Å; K688-V750 PolarHBondContact O-N 2.83Å; K688-F752 HydrophobicContact CB-CD1 4Å; K688-F752 HydrophobicContact CB-CE1 3.55Å; K688-F752 HydrophobicContact CB-CZ 4.42Å; K688-F752 HydrophobicContact CD-CD1 3.87Å; K688-F752 HydrophobicContact CD-CE1 3.88Å; K688-F752 HydrophobicContact CD-CG 4.4Å; K688-F752 HydrophobicContact CD-CZ 4.42Å; K688-F752 HydrophobicContact CG-CD1 3.67Å; K688-F752 HydrophobicContact CG-CE1 3.75Å; K688-D757 VanDerWaalsContact CE-OD2 3.26Å; K688-D757 WeakPolarHBondContact CE-OD2 3.33Å; K688-D757 IonicContact NZ-OD1 3.24Å; K688-D757 PolarHBondContact NZ-OD1 3.45Å; K688-D757 IonicContact NZ-OD2 3.22Å; K688-D757 PolarHBondContact NZ-OD2 3.01Å; K688-D759 WeakPolarHBondContact CD-O 3.38Å; K688-D759 PolarHBondContact NZ-O 2.87Å; K688-D759 IonicContact NZ-OD2 2.82Å; K688-H761 WeakPolarHBondContact CB-O 3.44Å
689H93.3Very high91.3Very high19 Ų1945.9 Ų45.99%0.08826%0.262CS..BIsolated β-bridgetrans-128.699.5170.6-177.2-174.5000107.1M747 A749 H761 H762 Y763 G764H689-M747 PolarHBondContact CD2-O 3.15Å; H689-M747 PolarHBondContact NE2-O 3.28Å; H689-A749 HydrophobicContact CB-CB 4.11Å; H689-H761 PolarHBondContact N-O 2.7Å; H689-H762 AromaticContact ND1-CE1 3.88Å; H689-Y763 WeakPolarHBondContact O-CB 3.44Å; H689-Y763 PolarHBondContact O-N 3.5Å; H689-G764 PolarHBondContact ND1-N 3.12Å
690P90.9Very high90.9Very high26 Ų2641.4 Ų41.417%0.16924%0.241CC..PPolyproline II helixtrans-61148.1-179.6-22.533.6000111.7M747P690-M747 HydrophobicContact CB-CE 4.13Å; P690-M747 HydrophobicContact CB-SD 3.87Å; P690-M747 HydrophobicContact CG-CE 4.44Å
691A90.3Very high90.6Very high62 Ų6241.8 Ų41.851%0.51224%0.244SC..PPolyproline II helixtrans-66.5134.1174.600000110.2M747 Y763A691-M747 VanDerWaalsContact O-SD 3.4Å; A691-Y763 HydrophobicContact CB-CD2 3.75Å; A691-Y763 HydrophobicContact CB-CE2 4.07Å; A691-Y763 HydrophobicContact CB-CG 4.36Å
692P89.1Confident90.1Very high11 Ų1143.1 Ų43.17%0.07124%0.243CC..PPolyproline II helixtrans-66.5142.9178.5-22.234.9000112.7Y697 C745 M746 M747 Y763P692-Y697 HydrophobicContact CB-CE2 3.8Å; P692-Y697 HydrophobicContact CG-CE2 4.27Å; P692-Y697 WeakPolarHBondContact CG-OH 3.42Å; P692-C745 WeakPolarHBondContact CB-O 3.29Å; P692-M746 HydrophobicContact CG-CE 4.46Å; P692-M746 HydrophobicContact CG-SD 3.88Å; P692-M747 HydrophobicContact CB-CG 4.31Å; P692-M747 HydrophobicContact CG-CG 4.44Å; P692-Y763 HydrophobicContact CG-CE1 4.37Å
693P86.9Confident89.7Confident57 Ų5736.9 Ų36.937%0.3721%0.214SC..PPolyproline II helixtrans-58.5145171.3-23.433.5000111.4S695 N696P693-S695 PolarHBondContact O-N 3.02Å; P693-S695 VanDerWaalsContact O-N 3.12Å; P693-N696 WeakPolarHBondContact O-CB 3.35Å; P693-N696 PolarHBondContact O-N 3.46Å
694P85.4Confident89.4Confident103 Ų10336.5 Ų36.567%0.66921%0.211SC*.Hα-helixtrans-54.1-34.6-179.9-2935.9000114.3N696 Y697P694-N696 PolarHBondContact O-N 2.95Å; P694-Y697 WeakPolarHBondContact O-CB 3.48Å; P694-Y697 PolarHBondContact O-N 3.03Å
695S83.9Confident89Confident76 Ų7643.2 Ų43.253%0.53124%0.24SC..Hα-helixtrans-59.9-27.2178.654.30000113.9P693 Y697 D698P693-S695 PolarHBondContact O-N 3.02Å; P693-S695 VanDerWaalsContact O-N 3.12Å; S695-Y697 PolarHBondContact O-N 2.63Å; S695-D698 PolarHBondContact O-N 3Å
696N85.1Confident88.4Confident63 Ų6345.5 Ų45.534%0.33726%0.256SS..Hα-helixtrans-68-27.9176.1-74.414.1000111.9P693 P694 C745P693-N696 WeakPolarHBondContact O-CB 3.35Å; P693-N696 PolarHBondContact O-N 3.46Å; P694-N696 PolarHBondContact O-N 2.95Å; N696-C745 HydrophobicContact CB-CB 4.31Å; N696-C745 PolarHBondContact ND2-O 3.27Å; N696-C745 VanDerWaalsContact ND2-O 3.08Å; N696-C745 PolarHBondContact O-SG 2.8Å
697Y88Confident87.8Confident4 Ų448.4 Ų48.42%0.01627%0.269CS..Hα-helixtrans-85.3-12.8-178.7-65.8-69.7000113.7P692 P694 S695 I699 L700 I701 T713 L719 C745 M746 Y763P692-Y697 HydrophobicContact CB-CE2 3.8Å; P692-Y697 HydrophobicContact CG-CE2 4.27Å; P692-Y697 WeakPolarHBondContact CG-OH 3.42Å; P694-Y697 WeakPolarHBondContact O-CB 3.48Å; P694-Y697 PolarHBondContact O-N 3.03Å; S695-Y697 PolarHBondContact O-N 2.63Å; Y697-I699 PolarHBondContact O-N 3.03Å; Y697-I699 VanDerWaalsContact O-N 3.15Å; Y697-L700 HydrophobicContact CD1-CD2 4.05Å; Y697-L700 WeakPolarHBondContact O-CA 3.39Å; Y697-L700 WeakPolarHBondContact O-CB 3.3Å; Y697-L700 PolarHBondContact O-N 3.06Å; Y697-I701 WeakPolarHBondContact O-CG1 3.2Å; Y697-I701 PolarHBondContact O-N 3.4Å; Y697-T713 HydrophobicContact CD1-CG2 3.96Å; Y697-T713 HydrophobicContact CD2-CG2 4.28Å; Y697-T713 HydrophobicContact CG-CG2 3.77Å; Y697-L719 HydrophobicContact CE1-CD2 3.8Å; Y697-C745 HydrophobicContact CD1-CB 3.75Å; Y697-C745 HydrophobicContact CE1-CB 3.78Å; Y697-M746 HydrophobicContact CE1-CE 3.72Å; Y697-M746 VanDerWaalsContact OH-CE 3.28Å; Y697-M746 WeakPolarHBondContact OH-CE 3.06Å; Y697-Y763 PolarHBondContact OH-OH 3.33Å; Y697-Y763 VanDerWaalsContact OH-OH 3.05Å
698D84.9Confident87.3Confident86 Ų8654.9 Ų54.946%0.4631%0.305SS..Hα-helixtrans-53.5-41.1-177.5-72.4-22.9000112.2S695 I701 K702S695-D698 PolarHBondContact O-N 3Å; D698-I701 PolarHBondContact O-N 2.98Å; D698-K702 WeakPolarHBondContact O-CB 3.05Å; D698-K702 VanDerWaalsContact O-CG 3.27Å; D698-K702 WeakPolarHBondContact O-CG 3.13Å; D698-K702 PolarHBondContact O-N 2.86Å
699I82.1Confident87Confident80 Ų8055 Ų5541%0.4131%0.308SS..Hα-helixtrans-67.1-41.9178.6-56.6170.1000110.9Y697 A703 F852Y697-I699 PolarHBondContact O-N 3.03Å; Y697-I699 VanDerWaalsContact O-N 3.15Å; I699-A703 VanDerWaalsContact O-CB 3.22Å; I699-A703 WeakPolarHBondContact O-CB 3.16Å; I699-A703 PolarHBondContact O-N 2.82Å; I699-F852 HydrophobicContact CG2-CD1 4.16Å; I699-F852 HydrophobicContact CG2-CE1 3.82Å
700L88.3Confident86.9Confident1 Ų160.9 Ų60.91%0.00534%0.337CS..Hα-helixtrans-64.2-44.6177.4-179.369.3000111.1Y697 A703 A704 I711 L719 L738 L741 A742Y697-L700 HydrophobicContact CD1-CD2 4.05Å; Y697-L700 WeakPolarHBondContact O-CA 3.39Å; Y697-L700 WeakPolarHBondContact O-CB 3.3Å; Y697-L700 PolarHBondContact O-N 3.06Å; L700-A703 PolarHBondContact O-N 3.19Å; L700-A704 WeakPolarHBondContact O-CB 3.42Å; L700-A704 PolarHBondContact O-N 3.44Å; L700-I711 HydrophobicContact CD2-CG2 4.27Å; L700-L719 HydrophobicContact CD2-CD1 4.28Å; L700-L738 HydrophobicContact CD1-CD2 3.8Å; L700-L741 HydrophobicContact CD1-CB 3.72Å; L700-A742 HydrophobicContact CD1-CB 4.42Å; L700-A742 HydrophobicContact CD2-CB 3.95Å
701I89.2Confident87Confident38 Ų3860.2 Ų60.220%0.19533%0.332CS..Hα-helixtrans-64.4-46.3179.5-65.4166.5000110.2Y697 D698 A704 K705 T713Y697-I701 WeakPolarHBondContact O-CG1 3.2Å; Y697-I701 PolarHBondContact O-N 3.4Å; D698-I701 PolarHBondContact O-N 2.98Å; I701-A704 PolarHBondContact O-N 3.46Å; I701-K705 HydrophobicContact CG2-CD 4.1Å; I701-K705 HydrophobicContact CG2-CG 4.5Å; I701-K705 WeakPolarHBondContact O-CB 3.49Å; I701-K705 VanDerWaalsContact O-CG 3.3Å; I701-K705 WeakPolarHBondContact O-CG 3.46Å; I701-K705 PolarHBondContact O-N 3.47Å; I701-T713 HydrophobicContact CD1-CG2 3.99Å; I701-T713 HydrophobicContact CG1-CG2 4.08Å
702K84.9Confident87.1Confident95 Ų9561.3 Ų61.341%0.41333%0.326SS..Hα-helixtrans-61.2-43.4175.5-74.7-179.3175.9-1670111.6D698 K705 S706 E887 P890D698-K702 WeakPolarHBondContact O-CB 3.05Å; D698-K702 VanDerWaalsContact O-CG 3.27Å; D698-K702 WeakPolarHBondContact O-CG 3.13Å; D698-K702 PolarHBondContact O-N 2.86Å; K702-K705 PolarHBondContact O-N 2.76Å; K702-S706 PolarHBondContact O-N 2.86Å; K702-S706 VanDerWaalsContact O-N 3.14Å; K702-E887 PolarHBondContact NZ-O 3.32Å; K702-E887 VanDerWaalsContact NZ-O 3.15Å; K702-P890 HydrophobicContact CB-CG 4.25Å
703A84.6Confident87.1Confident0 Ų062.5 Ų62.50%033%0.333CS..Hα-helixtrans-63.5-42.3177.700000112.3I699 L700 S706 L741 I901 F902I699-A703 VanDerWaalsContact O-CB 3.22Å; I699-A703 WeakPolarHBondContact O-CB 3.16Å; I699-A703 PolarHBondContact O-N 2.82Å; L700-A703 PolarHBondContact O-N 3.19Å; A703-S706 PolarHBondContact O-N 2.92Å; A703-S706 PolarHBondContact O-OG 3.47Å; A703-L741 HydrophobicContact CB-CD1 4.11Å; A703-I901 HydrophobicContact CB-CD1 4.07Å; A703-I901 HydrophobicContact CB-CG2 4.01Å; A703-F902 HydrophobicContact CB-CE2 4Å; A703-F902 HydrophobicContact CB-CZ 3.96Å; A703-F902 WeakPolarHBondContact O-CE2 3.38Å
704A88.4Confident87.2Confident0 Ų066.4 Ų66.40%035%0.351CS..Hα-helixtrans-67-42176.800000112L700 I701 S706 K707 N708 V709 I711 L738L700-A704 WeakPolarHBondContact O-CB 3.42Å; L700-A704 PolarHBondContact O-N 3.44Å; I701-A704 PolarHBondContact O-N 3.46Å; A704-S706 VanDerWaalsContact C-N 3.25Å; A704-S706 PolarHBondContact O-N 3.33Å; A704-K707 PolarHBondContact O-N 2.83Å; A704-K707 VanDerWaalsContact O-N 3.14Å; A704-N708 PolarHBondContact O-N 2.86Å; A704-V709 CarbonylContact C-O 3.53Å; A704-V709 HydrophobicContact CB-CB 4.35Å; A704-V709 WeakPolarHBondContact CB-O 3.41Å; A704-V709 PolarHBondContact O-N 3.11Å; A704-I711 HydrophobicContact CB-CB 4.39Å; A704-I711 HydrophobicContact CB-CG1 3.5Å; A704-L738 HydrophobicContact CB-CD2 4.23Å
705K87.3Confident87.4Confident140 Ų14064 Ų6461%0.60934%0.336SS*.Hα-helixtrans-59.3-33.5176.7-78.1178.2179.3-179.90112.8I701 K702 K707 N708 V709I701-K705 HydrophobicContact CG2-CD 4.1Å; I701-K705 HydrophobicContact CG2-CG 4.5Å; I701-K705 WeakPolarHBondContact O-CB 3.49Å; I701-K705 VanDerWaalsContact O-CG 3.3Å; I701-K705 WeakPolarHBondContact O-CG 3.46Å; I701-K705 PolarHBondContact O-N 3.47Å; K702-K705 PolarHBondContact O-N 2.76Å; K705-K707 PolarHBondContact O-N 3.16Å; K705-N708 PolarHBondContact O-N 3.31Å; K705-V709 PolarHBondContact N-O 2.97Å
706S83.9Confident87.6Confident50 Ų5060.9 Ų60.935%0.3532%0.315SS..Hα-helixtrans-63-23.417981.20000113.7K702 A703 A704K702-S706 PolarHBondContact O-N 2.86Å; K702-S706 VanDerWaalsContact O-N 3.14Å; A703-S706 PolarHBondContact O-N 2.92Å; A703-S706 PolarHBondContact O-OG 3.47Å; A704-S706 VanDerWaalsContact C-N 3.25Å; A704-S706 PolarHBondContact O-N 3.33Å
707K86.1Confident88Confident62 Ų6262.4 Ų62.427%0.2732%0.319SS..THydrogen-bonded Turntrans-108.421.4173.3-58.6-60.7-177.2-172.70112.3A704 K705 V709 V728 F734 I901 F902 D903A704-K707 PolarHBondContact O-N 2.83Å; A704-K707 VanDerWaalsContact O-N 3.14Å; K705-K707 PolarHBondContact O-N 3.16Å; K707-V709 PolarHBondContact O-N 2.86Å; K707-V728 HydrophobicContact CB-CG2 4.38Å; K707-F734 HydrophobicContact CB-CE2 3.98Å; K707-F734 HydrophobicContact CB-CZ 4.12Å; K707-F734 HydrophobicContact CG-CE2 3.85Å; K707-F734 HydrophobicContact CG-CZ 4.48Å; K707-I901 WeakPolarHBondContact CE-O 3.29Å; K707-F902 HydrophobicContact CG-CD2 3.99Å; K707-D903 IonicContact NZ-OD1 3.39Å; K707-D903 PolarHBondContact NZ-OD1 3.08Å
708N86Confident88.2Confident160 Ų16063.3 Ų63.386%0.85633%0.328SS*.THydrogen-bonded Turntrans58.230.3-179.7-58.3-50.6000114.5A704 K705A704-N708 PolarHBondContact O-N 2.86Å; K705-N708 PolarHBondContact O-N 3.31Å
709V89.4Confident88.6Confident21 Ų2159.2 Ų59.213%0.12731%0.306CS..  trans-104133.5175.8178.40000109.7A704 K705 K707 I711 A726 V728 F734A704-V709 CarbonylContact C-O 3.53Å; A704-V709 HydrophobicContact CB-CB 4.35Å; A704-V709 WeakPolarHBondContact CB-O 3.41Å; A704-V709 PolarHBondContact O-N 3.11Å; K705-V709 PolarHBondContact N-O 2.97Å; K707-V709 PolarHBondContact O-N 2.86Å; V709-I711 HydrophobicContact CG1-CD1 4.23Å; V709-A726 HydrophobicContact CG1-CB 3.71Å; V709-V728 HydrophobicContact CG2-CG2 3.92Å; V709-F734 HydrophobicContact CB-CE1 4.46Å; V709-F734 HydrophobicContact CB-CZ 4.38Å; V709-F734 HydrophobicContact CG2-CE1 3.85Å; V709-F734 HydrophobicContact CG2-CZ 3.95Å
710M90.7Very high89Confident143 Ų14355.6 Ų55.670%0.70429%0.288SS*.  trans-96.2127.9176.5-166.8177.3-61.500110.1H712M710-H712 VanDerWaalsContact SD-CE1 3.57Å
711I92.6Very high89.1Confident13 Ų1359.8 Ų59.87%0.06731%0.31CS..  trans-117129.5175.1-62.4-63.3000108.5L700 A704 V709 T713 L719 L723 A726L700-I711 HydrophobicContact CD2-CG2 4.27Å; A704-I711 HydrophobicContact CB-CB 4.39Å; A704-I711 HydrophobicContact CB-CG1 3.5Å; V709-I711 HydrophobicContact CG1-CD1 4.23Å; I711-T713 HydrophobicContact CG2-CG2 4.23Å; I711-L719 HydrophobicContact CG2-CD1 3.56Å; I711-L723 HydrophobicContact CD1-CD2 4.08Å; I711-A726 HydrophobicContact CD1-CB 4.09Å
712H91.5Very high89.3Confident85 Ų8558.7 Ų58.739%0.39431%0.306SS..  trans-97.2131.9178.4-63.6-71.6000109.5M710 A718 L719 S722M710-H712 VanDerWaalsContact SD-CE1 3.57Å; H712-A718 HydrophobicContact CB-CB 3.93Å; H712-L719 WeakPolarHBondContact O-CA 3.47Å; H712-L719 WeakPolarHBondContact O-CB 3.36Å; H712-L719 PolarHBondContact O-N 2.75Å; H712-S722 PolarHBondContact N-OG 3.46Å; H712-S722 VanDerWaalsContact N-OG 3.15Å
713T90.1Very high89.6Confident35 Ų3554.1 Ų54.122%0.21529%0.286CS..  trans-119.59.8-173.256.30000113Y697 I701 I711 S715 L719Y697-T713 HydrophobicContact CD1-CG2 3.96Å; Y697-T713 HydrophobicContact CD2-CG2 4.28Å; Y697-T713 HydrophobicContact CG-CG2 3.77Å; I701-T713 HydrophobicContact CD1-CG2 3.99Å; I701-T713 HydrophobicContact CG1-CG2 4.08Å; I711-T713 HydrophobicContact CG2-CG2 4.23Å; T713-S715 VanDerWaalsContact C-N 3.33Å; T713-S715 PolarHBondContact O-N 3.05Å; T713-L719 HydrophobicContact CG2-CD1 4.38Å
714D88.6Confident89.8Confident139 Ų13957.4 Ų57.474%0.74330%0.304SS*.SBendtrans-69.1-30.1-174-47.3-56.9000112.9
715S89.4Confident89.8Confident52 Ų5260.2 Ų60.236%0.36433%0.333SS..SBendtrans-152.8162.8177.567.20000111T713 K717 A718 L719T713-S715 VanDerWaalsContact C-N 3.33Å; T713-S715 PolarHBondContact O-N 3.05Å; S715-K717 PolarHBondContact O-N 2.94Å; S715-A718 PolarHBondContact O-N 3.18Å; S715-A718 WeakPolarHBondContact OG-CB 3.49Å; S715-A718 PolarHBondContact OG-N 2.85Å; S715-A718 VanDerWaalsContact OG-N 3.14Å; S715-L719 WeakPolarHBondContact O-CB 3.21Å; S715-L719 PolarHBondContact O-N 2.78Å
716A89.4Confident89.9Confident11 Ų1153.7 Ų53.79%0.09130%0.304CS..Hα-helixtrans-56.5-38.917500000111.9L628 L719 A720 Y763L628-A716 HydrophobicContact CD1-CB 4.43Å; L628-A716 WeakPolarHBondContact CD2-O 3.33Å; L628-A716 HydrophobicContact CG-CB 4.41Å; A716-L719 PolarHBondContact O-N 2.65Å; A716-A720 WeakPolarHBondContact O-CB 3.35Å; A716-A720 PolarHBondContact O-N 2.73Å; A716-Y763 HydrophobicContact CB-CD2 4.12Å; A716-Y763 HydrophobicContact CB-CE1 4.25Å; A716-Y763 HydrophobicContact CB-CE2 3.77Å
717K92.1Very high90.1Very high95 Ų9559.1 Ų59.141%0.41332%0.322SS..Hα-helixtrans-65.9-49.7177-176.9165.2179.2159.10112.6E624 S715 L719 A720 D721E624-K717 PolarHBondContact O-NZ 2.81Å; S715-K717 PolarHBondContact O-N 2.94Å; K717-L719 PolarHBondContact O-N 2.99Å; K717-A720 WeakPolarHBondContact O-CB 3.28Å; K717-A720 PolarHBondContact O-N 3Å; K717-A720 VanDerWaalsContact O-N 3.12Å; K717-D721 PolarHBondContact O-N 3.15Å
718A92.6Very high90.1Very high24 Ų2458.3 Ų58.320%0.19832%0.322CS..Hα-helixtrans-60.5-36.617800000111.7H712 S715 S722H712-A718 HydrophobicContact CB-CB 3.93Å; S715-A718 PolarHBondContact O-N 3.18Å; S715-A718 WeakPolarHBondContact OG-CB 3.49Å; S715-A718 PolarHBondContact OG-N 2.85Å; S715-A718 VanDerWaalsContact OG-N 3.14Å; A718-S722 VanDerWaalsContact O-CB 3.29Å; A718-S722 WeakPolarHBondContact O-CB 3.4Å; A718-S722 PolarHBondContact O-N 2.92Å; A718-S722 PolarHBondContact O-OG 3.26Å
719L92.5Very high90Very high0 Ų058.6 Ų58.60%032%0.324CS..Hα-helixtrans-66.6-45.4173.7-178.162.4000111.8L628 Y697 L700 I711 H712 T713 S715 A716 K717 S722 L723 M746L628-L719 HydrophobicContact CD1-CD2 4.23Å; L628-L719 HydrophobicContact CD2-CB 4.16Å; L628-L719 HydrophobicContact CD2-CD2 3.97Å; L628-L719 HydrophobicContact CD2-CG 3.97Å; Y697-L719 HydrophobicContact CE1-CD2 3.8Å; L700-L719 HydrophobicContact CD2-CD1 4.28Å; I711-L719 HydrophobicContact CG2-CD1 3.56Å; H712-L719 WeakPolarHBondContact O-CA 3.47Å; H712-L719 WeakPolarHBondContact O-CB 3.36Å; H712-L719 PolarHBondContact O-N 2.75Å; T713-L719 HydrophobicContact CG2-CD1 4.38Å; S715-L719 WeakPolarHBondContact O-CB 3.21Å; S715-L719 PolarHBondContact O-N 2.78Å; A716-L719 PolarHBondContact O-N 2.65Å; K717-L719 PolarHBondContact O-N 2.99Å; L719-S722 PolarHBondContact O-OG 3.34Å; L719-L723 HydrophobicContact CD1-CD1 3.96Å; L719-L723 HydrophobicContact CD1-CG 4.11Å; L719-L723 HydrophobicContact CG-CD1 3.88Å; L719-L723 HydrophobicContact CG-CG 4.43Å; L719-L723 VanDerWaalsContact O-CB 3.29Å; L719-L723 WeakPolarHBondContact O-CB 3.37Å; L719-L723 WeakPolarHBondContact O-CG 3.27Å; L719-L723 PolarHBondContact O-N 3.24Å; L719-M746 HydrophobicContact CD2-CE 3.75Å
720A90.5Very high89.7Confident4 Ų462 Ų623%0.03336%0.363CS..Hα-helixtrans-59.2-52.2176.500000111.6L628 A716 K717 S722 L723 D724L628-A720 HydrophobicContact CD2-CB 3.96Å; A716-A720 WeakPolarHBondContact O-CB 3.35Å; A716-A720 PolarHBondContact O-N 2.73Å; K717-A720 WeakPolarHBondContact O-CB 3.28Å; K717-A720 PolarHBondContact O-N 3Å; K717-A720 VanDerWaalsContact O-N 3.12Å; A720-S722 VanDerWaalsContact C-N 3.35Å; A720-S722 PolarHBondContact O-N 2.74Å; A720-L723 PolarHBondContact O-N 3.01Å; A720-D724 PolarHBondContact O-N 3.27Å
721D91.6Very high89.4Confident88 Ų8857.1 Ų57.147%0.47134%0.338SS..Hα-helixtrans-62.2-42.3-177.4-66.7-22.4000111.3K717 D724 G725K717-D721 PolarHBondContact O-N 3.15Å; D721-D724 PolarHBondContact O-N 3.43Å; D721-G725 PolarHBondContact O-N 2.9Å; D721-G725 VanDerWaalsContact O-N 3.08Å
722S93.1Very high89Confident15 Ų1565.9 Ų65.911%0.10538%0.379CS..Hα-helixtrans-70.4-35.3177.361.40000113.1H712 A718 L719 A720 A726H712-S722 PolarHBondContact N-OG 3.46Å; H712-S722 VanDerWaalsContact N-OG 3.15Å; A718-S722 VanDerWaalsContact O-CB 3.29Å; A718-S722 WeakPolarHBondContact O-CB 3.4Å; A718-S722 PolarHBondContact O-N 2.92Å; A718-S722 PolarHBondContact O-OG 3.26Å; L719-S722 PolarHBondContact O-OG 3.34Å; A720-S722 VanDerWaalsContact C-N 3.35Å; A720-S722 PolarHBondContact O-N 2.74Å; S722-A726 WeakPolarHBondContact O-CB 3.35Å; S722-A726 PolarHBondContact O-N 3.3Å; S722-A726 VanDerWaalsContact O-N 3.08Å
723L91.1Very high88.7Confident0 Ų064.7 Ų64.70%037%0.371CS..Hα-helixtrans-67.2-39.2172.1-74.6170.9000111.7I711 L719 A720 G725 A726 N735 L738 A742I711-L723 HydrophobicContact CD1-CD2 4.08Å; L719-L723 HydrophobicContact CD1-CD1 3.96Å; L719-L723 HydrophobicContact CD1-CG 4.11Å; L719-L723 HydrophobicContact CG-CD1 3.88Å; L719-L723 HydrophobicContact CG-CG 4.43Å; L719-L723 VanDerWaalsContact O-CB 3.29Å; L719-L723 WeakPolarHBondContact O-CB 3.37Å; L719-L723 WeakPolarHBondContact O-CG 3.27Å; L719-L723 PolarHBondContact O-N 3.24Å; A720-L723 PolarHBondContact O-N 3.01Å; L723-G725 VanDerWaalsContact C-N 3.32Å; L723-G725 PolarHBondContact O-N 3.47Å; L723-A726 WeakPolarHBondContact O-CB 3.15Å; L723-A726 PolarHBondContact O-N 3.4Å; L723-N735 PolarHBondContact O-ND2 3.37Å; L723-L738 HydrophobicContact CD2-CB 4.13Å; L723-A742 HydrophobicContact CD1-CB 4.08Å
724D89.3Confident88.7Confident69 Ų6963 Ų6337%0.36936%0.361SS..Hα-helixtrans-67.1-35.2178.3-72.3-3.7000111.9A720 D721 R739A720-D724 PolarHBondContact O-N 3.27Å; D721-D724 PolarHBondContact O-N 3.43Å; D724-R739 IonicContact OD1-CZ 3.19Å; D724-R739 IonicContact OD1-NH1 3.59Å; D724-R739 PolarHBondContact OD1-NH1 3.17Å; D724-R739 IonicContact OD1-NH2 2.76Å; D724-R739 PolarHBondContact OD1-NH2 3.41Å
725G88.1Confident88.7Confident59 Ų5957.8 Ų57.861%0.60833%0.333SS*.Hα-helixtrans-76.2-16.5173.700000115.1D721 L723 K727D721-G725 PolarHBondContact O-N 2.9Å; D721-G725 VanDerWaalsContact O-N 3.08Å; L723-G725 VanDerWaalsContact C-N 3.32Å; L723-G725 PolarHBondContact O-N 3.47Å; G725-K727 PolarHBondContact O-N 2.7Å
726A88.8Confident88.6Confident2 Ų257.3 Ų57.32%0.01733%0.328CS..  trans-73.888.5-175.600000112.5V709 I711 S722 L723 F734 N735 L738V709-A726 HydrophobicContact CG1-CB 3.71Å; I711-A726 HydrophobicContact CD1-CB 4.09Å; S722-A726 WeakPolarHBondContact O-CB 3.35Å; S722-A726 PolarHBondContact O-N 3.3Å; S722-A726 VanDerWaalsContact O-N 3.08Å; L723-A726 WeakPolarHBondContact O-CB 3.15Å; L723-A726 PolarHBondContact O-N 3.4Å; A726-F734 HydrophobicContact CB-CE1 4.4Å; A726-N735 PolarHBondContact O-ND2 3.3Å; A726-L738 HydrophobicContact CB-CD1 3.69Å
727K88.3Confident88.5Confident164 Ų16456.8 Ų56.871%0.71332%0.323SS*.  trans-128.4143175.3-63.3179.9-175.61750110.1G725G725-K727 PolarHBondContact O-N 2.7Å
728V86.8Confident88.4Confident45 Ų4552.2 Ų52.227%0.27330%0.304SS..  trans-124126.1176177.90000107.5K707 V709 G730 F731 F734K707-V728 HydrophobicContact CB-CG2 4.38Å; V709-V728 HydrophobicContact CG2-CG2 3.92Å; V728-G730 PolarHBondContact O-N 3.48Å; V728-F731 HydrophobicContact CB-CB 4.35Å; V728-F731 HydrophobicContact CG1-CB 4.43Å; V728-F731 PolarHBondContact O-N 3.47Å; V728-F734 HydrophobicContact CB-CD1 4.36Å; V728-F734 HydrophobicContact CB-CG 4.43Å; V728-F734 HydrophobicContact CG2-CD1 3.7Å; V728-F734 HydrophobicContact CG2-CD2 4.34Å; V728-F734 HydrophobicContact CG2-CE1 3.66Å; V728-F734 HydrophobicContact CG2-CE2 4.3Å; V728-F734 HydrophobicContact CG2-CG 4.04Å; V728-F734 HydrophobicContact CG2-CZ 3.97Å
729D84.3Confident88.3Confident167 Ų16752.2 Ų52.289%0.89330%0.298SS*.THydrogen-bonded Turntrans-59.3133.7-179.7-67.4-31.1000110.8F731D729-F731 VanDerWaalsContact C-N 3.28Å; D729-F731 PolarHBondContact O-N 3.06Å
730G82.2Confident88Confident93 Ų9352.7 Ų52.796%0.95930%0.301SS*.THydrogen-bonded Turntrans79.9-3.7-175.500000115.5V728V728-G730 PolarHBondContact O-N 3.48Å
731F85.6Confident87.9Confident40 Ų4052.8 Ų52.818%0.17530%0.301CS..  trans-12776.6179.6-164.9176.6000113.1V728 D729 Y733 F734 L737 F849 F902V728-F731 HydrophobicContact CB-CB 4.35Å; V728-F731 HydrophobicContact CG1-CB 4.43Å; V728-F731 PolarHBondContact O-N 3.47Å; D729-F731 VanDerWaalsContact C-N 3.28Å; D729-F731 PolarHBondContact O-N 3.06Å; F731-Y733 VanDerWaalsContact C-N 3.28Å; F731-Y733 PolarHBondContact O-N 3Å; F731-F734 HydrophobicContact CB-CB 4.19Å; F731-F734 HydrophobicContact CD1-CB 3.82Å; F731-F734 HydrophobicContact CD1-CD2 4.04Å; F731-F734 HydrophobicContact CD1-CG 4.34Å; F731-F734 HydrophobicContact CD2-CB 4.06Å; F731-F734 HydrophobicContact CE1-CB 4.22Å; F731-F734 HydrophobicContact CE1-CD2 4.07Å; F731-F734 HydrophobicContact CE2-CB 4.42Å; F731-F734 HydrophobicContact CG-CB 3.74Å; F731-F734 HydrophobicContact CZ-CB 4.5Å; F731-F734 VanDerWaalsContact O-CB 3.26Å; F731-F734 WeakPolarHBondContact O-CB 3.21Å; F731-F734 PolarHBondContact O-N 2.96Å; F731-L737 HydrophobicContact CE1-CD1 4.48Å; F731-L737 HydrophobicContact CE2-CD1 4.06Å; F731-L737 HydrophobicContact CZ-CD1 3.54Å; F731-F849 HydrophobicContact CD2-CE1 4.46Å; F731-F849 AromaticContact CE2-CD1 3.95Å; F731-F849 HydrophobicContact CE2-CD1 3.95Å; F731-F849 AromaticContact CE2-CE1 3.37Å; F731-F849 HydrophobicContact CE2-CE1 3.37Å; F731-F849 AromaticContact CE2-CZ 3.75Å; F731-F849 HydrophobicContact CE2-CZ 3.75Å; F731-F849 AromaticContact CZ-CD1 3.56Å; F731-F849 HydrophobicContact CZ-CD1 3.56Å; F731-F849 AromaticContact CZ-CE1 3.44Å; F731-F849 HydrophobicContact CZ-CE1 3.44Å; F731-F849 VanDerWaalsContact CZ-CE1 3.44Å; F731-F849 HydrophobicContact CZ-CG 4.42Å; F731-F849 HydrophobicContact CZ-CZ 4.23Å; F731-F902 HydrophobicContact CE1-CB 3.8Å; F731-F902 HydrophobicContact CZ-CB 4.29Å
732Q83.7Confident87.8Confident197 Ų19748.6 Ų48.692%0.92128%0.279SS*.THydrogen-bonded Turntrans-59.7-33-176.5-1691763.100114.2F734Q732-F734 VanDerWaalsContact C-N 3.34Å
733Y85.8Confident87.5Confident59 Ų5950.3 Ų50.323%0.23129%0.288CS..THydrogen-bonded Turntrans-84-5.2-176.9-159.6-108.4000114.1F731 N735 T736 L737 F849 P863F731-Y733 VanDerWaalsContact C-N 3.28Å; F731-Y733 PolarHBondContact O-N 3Å; Y733-N735 VanDerWaalsContact C-N 3.35Å; Y733-N735 PolarHBondContact O-N 3.32Å; Y733-T736 HydrophobicContact CE2-CG2 3.85Å; Y733-T736 PolarHBondContact O-N 3.32Å; Y733-L737 HydrophobicContact CD1-CD1 4.02Å; Y733-L737 HydrophobicContact CD1-CD2 3.81Å; Y733-L737 HydrophobicContact CD1-CG 3.62Å; Y733-L737 HydrophobicContact CE1-CD2 3.58Å; Y733-L737 HydrophobicContact CE1-CG 3.86Å; Y733-L737 WeakPolarHBondContact O-CG 3.3Å; Y733-L737 PolarHBondContact O-N 3.14Å; Y733-L737 VanDerWaalsContact O-N 3.14Å; Y733-F849 HydrophobicContact CD1-CD2 4.02Å; Y733-F849 AromaticContact CD1-CE2 3.79Å; Y733-F849 HydrophobicContact CD1-CE2 3.79Å; Y733-F849 HydrophobicContact CE1-CD2 4.42Å; Y733-F849 HydrophobicContact CE1-CE2 4.47Å; Y733-F849 HydrophobicContact CG-CE2 4.43Å; Y733-P863 HydrophobicContact CD1-CG 4.3Å; Y733-P863 HydrophobicContact CE1-CB 4.04Å; Y733-P863 HydrophobicContact CE1-CG 3.72Å
734F88.9Confident87.1Confident0 Ų055.1 Ų55.10%031%0.306CS..Hα-helixtrans-57.4-44-177.7176.7-103.5000113.1K707 V709 A726 V728 F731 Q732 T736 L737 L738 F902K707-F734 HydrophobicContact CB-CE2 3.98Å; K707-F734 HydrophobicContact CB-CZ 4.12Å; K707-F734 HydrophobicContact CG-CE2 3.85Å; K707-F734 HydrophobicContact CG-CZ 4.48Å; V709-F734 HydrophobicContact CB-CE1 4.46Å; V709-F734 HydrophobicContact CB-CZ 4.38Å; V709-F734 HydrophobicContact CG2-CE1 3.85Å; V709-F734 HydrophobicContact CG2-CZ 3.95Å; A726-F734 HydrophobicContact CB-CE1 4.4Å; V728-F734 HydrophobicContact CB-CD1 4.36Å; V728-F734 HydrophobicContact CB-CG 4.43Å; V728-F734 HydrophobicContact CG2-CD1 3.7Å; V728-F734 HydrophobicContact CG2-CD2 4.34Å; V728-F734 HydrophobicContact CG2-CE1 3.66Å; V728-F734 HydrophobicContact CG2-CE2 4.3Å; V728-F734 HydrophobicContact CG2-CG 4.04Å; V728-F734 HydrophobicContact CG2-CZ 3.97Å; F731-F734 HydrophobicContact CB-CB 4.19Å; F731-F734 HydrophobicContact CD1-CB 3.82Å; F731-F734 HydrophobicContact CD1-CD2 4.04Å; F731-F734 HydrophobicContact CD1-CG 4.34Å; F731-F734 HydrophobicContact CD2-CB 4.06Å; F731-F734 HydrophobicContact CE1-CB 4.22Å; F731-F734 HydrophobicContact CE1-CD2 4.07Å; F731-F734 HydrophobicContact CE2-CB 4.42Å; F731-F734 HydrophobicContact CG-CB 3.74Å; F731-F734 HydrophobicContact CZ-CB 4.5Å; F731-F734 VanDerWaalsContact O-CB 3.26Å; F731-F734 WeakPolarHBondContact O-CB 3.21Å; F731-F734 PolarHBondContact O-N 2.96Å; Q732-F734 VanDerWaalsContact C-N 3.34Å; F734-T736 VanDerWaalsContact C-N 3.32Å; F734-T736 PolarHBondContact O-N 2.91Å; F734-L737 WeakPolarHBondContact O-CB 3.36Å; F734-L737 PolarHBondContact O-N 3.25Å; F734-L738 HydrophobicContact CD1-CD1 3.94Å; F734-L738 HydrophobicContact CE1-CD1 3.21Å; F734-L738 HydrophobicContact CE1-CG 4.04Å; F734-L738 HydrophobicContact CE2-CD1 4.31Å; F734-L738 HydrophobicContact CE2-CG 4.35Å; F734-L738 HydrophobicContact CZ-CD1 3.45Å; F734-L738 VanDerWaalsContact CZ-CD1 3.45Å; F734-L738 HydrophobicContact CZ-CD2 4.47Å; F734-L738 HydrophobicContact CZ-CG 3.94Å; F734-L738 PolarHBondContact O-N 2.91Å; F734-F902 HydrophobicContact CD2-CD2 4.05Å; F734-F902 HydrophobicContact CD2-CE2 4.29Å; F734-F902 HydrophobicContact CD2-CG 4.33Å; F734-F902 AromaticContact CE2-CD2 3.53Å; F734-F902 HydrophobicContact CE2-CD2 3.53Å; F734-F902 AromaticContact CE2-CE2 3.54Å; F734-F902 HydrophobicContact CE2-CE2 3.54Å; F734-F902 HydrophobicContact CE2-CG 4.25Å; F734-F902 HydrophobicContact CE2-CZ 4.29Å; F734-F902 HydrophobicContact CZ-CE2 4.31Å
735N88.8Confident87Confident29 Ų2952.3 Ų52.316%0.15529%0.292CS..Hα-helixtrans-60.7-43.2-179.2-167-100.5000111.8L723 A726 Y733 L737 L738 R739L723-N735 PolarHBondContact O-ND2 3.37Å; A726-N735 PolarHBondContact O-ND2 3.3Å; Y733-N735 VanDerWaalsContact C-N 3.35Å; Y733-N735 PolarHBondContact O-N 3.32Å; N735-L737 PolarHBondContact O-N 2.86Å; N735-L738 PolarHBondContact O-N 2.96Å; N735-R739 WeakPolarHBondContact O-CG 3.24Å; N735-R739 PolarHBondContact O-N 3.45Å; N735-R739 PolarHBondContact OD1-NE 2.93Å; N735-R739 PolarHBondContact OD1-NH2 2.94Å; N735-R739 VanDerWaalsContact OD1-NH2 3.1Å
736T87.8Confident87Confident42 Ų4250.7 Ų50.726%0.25827%0.269SS..Hα-helixtrans-62.9-42.5177-49.10000111.2Y733 F734 L738 R739 I740Y733-T736 HydrophobicContact CE2-CG2 3.85Å; Y733-T736 PolarHBondContact O-N 3.32Å; F734-T736 VanDerWaalsContact C-N 3.32Å; F734-T736 PolarHBondContact O-N 2.91Å; T736-L738 PolarHBondContact O-N 3.48Å; T736-R739 PolarHBondContact O-N 3.37Å; T736-I740 HydrophobicContact CG2-CD1 4.13Å; T736-I740 WeakPolarHBondContact O-CD1 3.42Å; T736-I740 VanDerWaalsContact O-CG1 3.26Å; T736-I740 WeakPolarHBondContact O-CG1 3.36Å; T736-I740 PolarHBondContact O-N 3.17Å
737L87.6Confident86.9Confident0 Ų054.3 Ų54.30%029%0.287CS..Hα-helixtrans-61.5-43.7176.1-65.4172.2000111.9F731 Y733 F734 N735 I740 L741 F849 L851 L861 F902F731-L737 HydrophobicContact CE1-CD1 4.48Å; F731-L737 HydrophobicContact CE2-CD1 4.06Å; F731-L737 HydrophobicContact CZ-CD1 3.54Å; Y733-L737 HydrophobicContact CD1-CD1 4.02Å; Y733-L737 HydrophobicContact CD1-CD2 3.81Å; Y733-L737 HydrophobicContact CD1-CG 3.62Å; Y733-L737 HydrophobicContact CE1-CD2 3.58Å; Y733-L737 HydrophobicContact CE1-CG 3.86Å; Y733-L737 WeakPolarHBondContact O-CG 3.3Å; Y733-L737 PolarHBondContact O-N 3.14Å; Y733-L737 VanDerWaalsContact O-N 3.14Å; F734-L737 WeakPolarHBondContact O-CB 3.36Å; F734-L737 PolarHBondContact O-N 3.25Å; N735-L737 PolarHBondContact O-N 2.86Å; L737-I740 PolarHBondContact O-N 3Å; L737-L741 WeakPolarHBondContact O-CG 3.43Å; L737-L741 PolarHBondContact O-N 2.83Å; L737-F849 HydrophobicContact CD1-CB 3.89Å; L737-F849 HydrophobicContact CD1-CD1 4.17Å; L737-F849 HydrophobicContact CD1-CD2 4.21Å; L737-F849 HydrophobicContact CD1-CG 3.83Å; L737-F849 HydrophobicContact CD2-CB 4.23Å; L737-F849 HydrophobicContact CD2-CD2 4.46Å; L737-L851 HydrophobicContact CD2-CD2 3.91Å; L737-L861 HydrophobicContact CD2-CD2 3.58Å; L737-F902 HydrophobicContact CB-CD1 4.03Å; L737-F902 HydrophobicContact CB-CE1 3.84Å; L737-F902 HydrophobicContact CD1-CD1 3.92Å
738L89.5Confident86.8Confident0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-62.2-42.3174.9-82.6178.1000112.2L700 A704 L723 A726 F734 N735 T736 I740 L741 A742 F902L700-L738 HydrophobicContact CD1-CD2 3.8Å; A704-L738 HydrophobicContact CB-CD2 4.23Å; L723-L738 HydrophobicContact CD2-CB 4.13Å; A726-L738 HydrophobicContact CB-CD1 3.69Å; F734-L738 HydrophobicContact CD1-CD1 3.94Å; F734-L738 HydrophobicContact CE1-CD1 3.21Å; F734-L738 HydrophobicContact CE1-CG 4.04Å; F734-L738 HydrophobicContact CE2-CD1 4.31Å; F734-L738 HydrophobicContact CE2-CG 4.35Å; F734-L738 HydrophobicContact CZ-CD1 3.45Å; F734-L738 VanDerWaalsContact CZ-CD1 3.45Å; F734-L738 HydrophobicContact CZ-CD2 4.47Å; F734-L738 HydrophobicContact CZ-CG 3.94Å; F734-L738 PolarHBondContact O-N 2.91Å; N735-L738 PolarHBondContact O-N 2.96Å; T736-L738 PolarHBondContact O-N 3.48Å; L738-I740 VanDerWaalsContact C-N 3.33Å; L738-I740 PolarHBondContact O-N 3.31Å; L738-L741 PolarHBondContact O-N 3.16Å; L738-A742 WeakPolarHBondContact O-CB 3.33Å; L738-A742 PolarHBondContact O-N 3.42Å; L738-F902 HydrophobicContact CD2-CE2 4.22Å; L738-F902 HydrophobicContact CD2-CZ 3.77Å; L738-F902 HydrophobicContact CG-CZ 4.21Å
739R89.9Confident86.9Confident23 Ų2348.9 Ų48.99%0.08726%0.264CS..Hα-helixtrans-64.4-36.8175.9-71.2-177.9-164.8-82.8-8.7112.5T629 D724 N735 T736 A742 T743T629-R739 WeakPolarHBondContact O-CD 3.28Å; T629-R739 PolarHBondContact O-NH1 3.33Å; D724-R739 IonicContact OD1-CZ 3.19Å; D724-R739 IonicContact OD1-NH1 3.59Å; D724-R739 PolarHBondContact OD1-NH1 3.17Å; D724-R739 IonicContact OD1-NH2 2.76Å; D724-R739 PolarHBondContact OD1-NH2 3.41Å; N735-R739 WeakPolarHBondContact O-CG 3.24Å; N735-R739 PolarHBondContact O-N 3.45Å; N735-R739 PolarHBondContact OD1-NE 2.93Å; N735-R739 PolarHBondContact OD1-NH2 2.94Å; N735-R739 VanDerWaalsContact OD1-NH2 3.1Å; T736-R739 PolarHBondContact O-N 3.37Å; R739-A742 PolarHBondContact O-N 2.93Å; R739-T743 PolarHBondContact O-N 3.35Å; R739-T743 PolarHBondContact O-OG1 2.91Å
740I86.9Confident87.4Confident11 Ų1142.8 Ų42.86%0.05623%0.233CC..Hα-helixtrans-62.7-44.8173.5-69.3161.5000110.1S631 L633 T736 L737 L738 T743 R744 L861S631-I740 WeakPolarHBondContact O-CG1 3.39Å; L633-I740 HydrophobicContact CD1-CD1 3.72Å; L633-I740 HydrophobicContact CD2-CD1 4.42Å; L633-I740 HydrophobicContact CG-CD1 3.9Å; T736-I740 HydrophobicContact CG2-CD1 4.13Å; T736-I740 WeakPolarHBondContact O-CD1 3.42Å; T736-I740 VanDerWaalsContact O-CG1 3.26Å; T736-I740 WeakPolarHBondContact O-CG1 3.36Å; T736-I740 PolarHBondContact O-N 3.17Å; L737-I740 PolarHBondContact O-N 3Å; L738-I740 VanDerWaalsContact C-N 3.33Å; L738-I740 PolarHBondContact O-N 3.31Å; I740-T743 WeakPolarHBondContact O-CB 3.36Å; I740-T743 PolarHBondContact O-N 2.9Å; I740-R744 PolarHBondContact O-N 3.29Å; I740-L861 HydrophobicContact CD1-CD2 4.03Å
741L87.4Confident88.1Confident6 Ų638.9 Ų38.93%0.03119%0.189CC..Hα-helixtrans-64-45.2175.6-70.7178.6000111.8L700 A703 L737 L738 T743 R744 C745 L851 F852 F902L700-L741 HydrophobicContact CD1-CB 3.72Å; A703-L741 HydrophobicContact CB-CD1 4.11Å; L737-L741 WeakPolarHBondContact O-CG 3.43Å; L737-L741 PolarHBondContact O-N 2.83Å; L738-L741 PolarHBondContact O-N 3.16Å; L741-T743 VanDerWaalsContact C-N 3.25Å; L741-T743 PolarHBondContact O-N 2.93Å; L741-R744 WeakPolarHBondContact O-CB 3.49Å; L741-R744 PolarHBondContact O-N 3.08Å; L741-C745 PolarHBondContact O-N 2.93Å; L741-C745 PolarHBondContact O-SG 3.2Å; L741-C745 VanDerWaalsContact O-SG 3.41Å; L741-L851 HydrophobicContact CD2-CD2 4.38Å; L741-F852 HydrophobicContact CD2-CE1 4.01Å; L741-F852 HydrophobicContact CD2-CE2 3.93Å; L741-F852 HydrophobicContact CD2-CZ 3.45Å; L741-F852 VanDerWaalsContact CD2-CZ 3.45Å; L741-F902 HydrophobicContact CD1-CE1 3.62Å; L741-F902 HydrophobicContact CD1-CZ 3.58Å
742A90.1Very high88.6Confident0 Ų037.7 Ų37.70%018%0.184CC..Hα-helixtrans-58.8-38.4177.200000111.7L630 L700 L723 L738 R739 R744 C745 M746L630-A742 HydrophobicContact CD2-CB 3.99Å; L700-A742 HydrophobicContact CD1-CB 4.42Å; L700-A742 HydrophobicContact CD2-CB 3.95Å; L723-A742 HydrophobicContact CD1-CB 4.08Å; L738-A742 WeakPolarHBondContact O-CB 3.33Å; L738-A742 PolarHBondContact O-N 3.42Å; R739-A742 PolarHBondContact O-N 2.93Å; A742-R744 PolarHBondContact O-N 3.37Å; A742-C745 WeakPolarHBondContact O-CB 3.47Å; A742-C745 PolarHBondContact O-N 3.1Å; A742-C745 VanDerWaalsContact O-N 3.1Å; A742-M746 WeakPolarHBondContact O-CE 2.99Å; A742-M746 WeakPolarHBondContact O-CG 3.46Å; A742-M746 PolarHBondContact O-N 3.43Å
743T87.3Confident89.2Confident50 Ų5028.4 Ų28.431%0.30714%0.141SC..Hα-helixtrans-59.7-33.1175-53.30000112.5L630 S631 R739 I740 L741 M746L630-T743 WeakPolarHBondContact CB-OG1 3.42Å; S631-T743 PolarHBondContact O-OG1 2.87Å; R739-T743 PolarHBondContact O-N 3.35Å; R739-T743 PolarHBondContact O-OG1 2.91Å; I740-T743 WeakPolarHBondContact O-CB 3.36Å; I740-T743 PolarHBondContact O-N 2.9Å; L741-T743 VanDerWaalsContact C-N 3.25Å; L741-T743 PolarHBondContact O-N 2.93Å; T743-M746 WeakPolarHBondContact O-CB 3.44Å; T743-M746 PolarHBondContact O-N 3.06Å
744R83.2Confident89.7Confident101 Ų10126 Ų2638%0.38113%0.132SC..Hα-helixtrans-77-23.1177.4-62.7-174.6-165-155.211.2113.6I740 L741 A742 M746 E868I740-R744 PolarHBondContact O-N 3.29Å; L741-R744 WeakPolarHBondContact O-CB 3.49Å; L741-R744 PolarHBondContact O-N 3.08Å; A742-R744 PolarHBondContact O-N 3.37Å; R744-M746 VanDerWaalsContact C-N 3.26Å; R744-E868 IonicContact CZ-OE1 3.91Å; R744-E868 IonicContact CZ-OE2 3.03Å; R744-E868 VanDerWaalsContact CZ-OE2 3.23Å; R744-E868 IonicContact NH1-OE1 2.99Å; R744-E868 IonicContact NH1-OE2 3.14Å; R744-E868 PolarHBondContact NH1-OE2 3.49Å; R744-E868 IonicContact NH2-OE1 3.26Å; R744-E868 PolarHBondContact NH2-OE1 3.04Å; R744-E868 IonicContact NH2-OE2 2.82Å; R744-E868 PolarHBondContact NH2-OE2 3.48Å
745C86.9Confident89.8Confident10 Ų1027.3 Ų27.37%0.06815%0.146CC..Hα-helixtrans-72.6-25174.9-58.40000111.5P692 N696 Y697 L741 A742P692-C745 WeakPolarHBondContact CB-O 3.29Å; N696-C745 HydrophobicContact CB-CB 4.31Å; N696-C745 PolarHBondContact ND2-O 3.27Å; N696-C745 VanDerWaalsContact ND2-O 3.08Å; N696-C745 PolarHBondContact O-SG 2.8Å; Y697-C745 HydrophobicContact CD1-CB 3.75Å; Y697-C745 HydrophobicContact CE1-CB 3.78Å; L741-C745 PolarHBondContact O-N 2.93Å; L741-C745 PolarHBondContact O-SG 3.2Å; L741-C745 VanDerWaalsContact O-SG 3.41Å; A742-C745 WeakPolarHBondContact O-CB 3.47Å; A742-C745 PolarHBondContact O-N 3.1Å; A742-C745 VanDerWaalsContact O-N 3.1Å
746M87.4Confident89.9Confident26 Ų2630.4 Ų30.413%0.12816%0.161CC..SBendtrans-64.6149.2-176.4-61.3-60.7130.200113L628 L630 P692 Y697 L719 A742 T743 R744 Y763L628-M746 HydrophobicContact CD1-CE 4.1Å; L628-M746 HydrophobicContact CD1-SD 4.03Å; L630-M746 HydrophobicContact CD1-CG 3.76Å; L630-M746 HydrophobicContact CD1-SD 4.42Å; P692-M746 HydrophobicContact CG-CE 4.46Å; P692-M746 HydrophobicContact CG-SD 3.88Å; Y697-M746 HydrophobicContact CE1-CE 3.72Å; Y697-M746 VanDerWaalsContact OH-CE 3.28Å; Y697-M746 WeakPolarHBondContact OH-CE 3.06Å; L719-M746 HydrophobicContact CD2-CE 3.75Å; A742-M746 WeakPolarHBondContact O-CE 2.99Å; A742-M746 WeakPolarHBondContact O-CG 3.46Å; A742-M746 PolarHBondContact O-N 3.43Å; T743-M746 WeakPolarHBondContact O-CB 3.44Å; T743-M746 PolarHBondContact O-N 3.06Å; R744-M746 VanDerWaalsContact C-N 3.26Å; M746-Y763 HydrophobicContact CE-CE1 4.27Å; M746-Y763 HydrophobicContact SD-CD1 4.05Å; M746-Y763 HydrophobicContact SD-CE1 3.79Å
747M86.5Confident89.9Confident78 Ų7831.2 Ų31.238%0.38416%0.163SC..PPolyproline II helixtrans-79.5164.4172.1-72.9-171.56900111.6H689 P690 A691 P692H689-M747 PolarHBondContact CD2-O 3.15Å; H689-M747 PolarHBondContact NE2-O 3.28Å; P690-M747 HydrophobicContact CB-CE 4.13Å; P690-M747 HydrophobicContact CB-SD 3.87Å; P690-M747 HydrophobicContact CG-CE 4.44Å; A691-M747 VanDerWaalsContact O-SD 3.4Å; P692-M747 HydrophobicContact CB-CG 4.31Å; P692-M747 HydrophobicContact CG-CG 4.44Å
748Q86.4Confident89.8Confident76 Ų7636.5 Ų36.536%0.35520%0.2SC..PPolyproline II helixtrans-74.8129.7171.9-174.1176.7-4.400109.9
749A89.5Confident89.9Confident18 Ų1839.7 Ų39.715%0.14922%0.217CC..PPolyproline II helixtrans-71.1139.1168.600000111K688 H689K688-A749 CarbonylContact O-C 3.56Å; K688-A749 VanDerWaalsContact O-CA 3.24Å; K688-A749 WeakPolarHBondContact O-CA 3.33Å; K688-A749 WeakPolarHBondContact O-CB 3.43Å; H689-A749 HydrophobicContact CB-CB 4.11Å
750V94.3Very high90.1Very high40 Ų4040.4 Ų40.424%0.24222%0.221CC..EExtended strand (participates in β ladder)trans-133.3143.9-172.2-65.70000111.8R687 K688 N816R687-V750 WeakPolarHBondContact CA-O 3.31Å; K688-V750 HydrophobicContact CG-CG2 3.95Å; K688-V750 PolarHBondContact N-O 2.66Å; K688-V750 PolarHBondContact O-N 2.83Å; V750-N816 WeakPolarHBondContact CA-OD1 3.31Å
751Y96.9Very high90.5Very high11 Ų1143.7 Ų43.74%0.04324%0.236CC..EExtended strand (participates in β ladder)trans-75.1144.5165.8-62.2-71.1000110.5L685 L686 R687 H772 A781 L815 N816L685-Y751 HydrophobicContact CD2-CD1 3.77Å; L685-Y751 HydrophobicContact CD2-CE1 4.35Å; L685-Y751 HydrophobicContact CD2-CG 4.49Å; L686-Y751 CarbonylContact O-C 3.59Å; L686-Y751 VanDerWaalsContact O-CA 3.29Å; L686-Y751 WeakPolarHBondContact O-CA 3.31Å; R687-Y751 HydrophobicContact CB-CD1 3.83Å; R687-Y751 HydrophobicContact CB-CE1 4.06Å; R687-Y751 HydrophobicContact CG-CD1 4.11Å; R687-Y751 HydrophobicContact CG-CE1 4.2Å; R687-Y751 PolarHBondContact NH1-OH 3.32Å; Y751-H772 HydrophobicContact CE1-CB 4.35Å; Y751-H772 AromaticContact CE1-ND1 3.77Å; Y751-H772 AromaticContact CZ-ND1 3.66Å; Y751-H772 PolarHBondContact OH-ND1 2.98Å; Y751-A781 HydrophobicContact CD1-CB 4.16Å; Y751-A781 HydrophobicContact CE1-CB 3.64Å; Y751-A781 HydrophobicContact CE2-CB 4.24Å; Y751-L815 HydrophobicContact CD2-CB 4.12Å; Y751-N816 WeakPolarHBondContact CD2-OD1 3.49Å; Y751-N816 PolarHBondContact N-OD1 3.38Å; Y751-N816 PolarHBondContact O-ND2 3.21Å
752F96.4Very high90.8Very high14 Ų1444.1 Ų44.16%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-150.7164.3176.870.6-78.8000110.4L686 K688 D757 F760L686-F752 HydrophobicContact CB-CD1 4.25Å; L686-F752 HydrophobicContact CB-CE1 3.52Å; L686-F752 HydrophobicContact CB-CE2 4.02Å; L686-F752 HydrophobicContact CB-CZ 3.39Å; L686-F752 HydrophobicContact CD1-CE2 4.17Å; L686-F752 HydrophobicContact CD1-CZ 3.86Å; L686-F752 HydrophobicContact CG-CZ 4.27Å; L686-F752 PolarHBondContact N-O 3.4Å; L686-F752 PolarHBondContact O-N 3.13Å; K688-F752 HydrophobicContact CB-CD1 4Å; K688-F752 HydrophobicContact CB-CE1 3.55Å; K688-F752 HydrophobicContact CB-CZ 4.42Å; K688-F752 HydrophobicContact CD-CD1 3.87Å; K688-F752 HydrophobicContact CD-CE1 3.88Å; K688-F752 HydrophobicContact CD-CG 4.4Å; K688-F752 HydrophobicContact CD-CZ 4.42Å; K688-F752 HydrophobicContact CG-CD1 3.67Å; K688-F752 HydrophobicContact CG-CE1 3.75Å; F752-D757 HydrophobicContact CD2-CB 3.68Å; F752-D757 HydrophobicContact CE2-CB 4.24Å; F752-D757 HydrophobicContact CG-CB 4.47Å; F752-F760 AromaticContact CE2-CD1 3.37Å; F752-F760 HydrophobicContact CE2-CD1 3.37Å; F752-F760 AromaticContact CE2-CE1 3.68Å; F752-F760 HydrophobicContact CE2-CE1 3.68Å; F752-F760 HydrophobicContact CE2-CG 4.5Å; F752-F760 HydrophobicContact CZ-CB 4.26Å; F752-F760 AromaticContact CZ-CD1 3.45Å; F752-F760 HydrophobicContact CZ-CD1 3.45Å; F752-F760 VanDerWaalsContact CZ-CD1 3.45Å; F752-F760 HydrophobicContact CZ-CE1 4.23Å; F752-F760 HydrophobicContact CZ-CG 4.23Å
753C96.4Very high91Very high3 Ų345 Ų452%0.0224%0.241CC..EExtended strand (participates in β ladder)trans-99.3129.6174.9176.90000108.4G755 M756 Q808C753-G755 PolarHBondContact O-N 3.38Å; C753-M756 HydrophobicContact CB-CG 4.47Å; C753-M756 PolarHBondContact O-N 2.99Å; C753-Q808 HydrophobicContact CB-CB 4.11Å
754S95.4Very high91.1Very high8 Ų843 Ų436%0.05623%0.232CC..THydrogen-bonded Turntrans-61.5-24.8-175.161.30000114.4P681 S683 A684 M756P681-S754 VanDerWaalsContact C-OG 3.29Å; P681-S754 VanDerWaalsContact O-CB 3.23Å; P681-S754 WeakPolarHBondContact O-CB 3.32Å; P681-S754 PolarHBondContact O-OG 3.01Å; S683-S754 PolarHBondContact N-OG 3.47Å; A684-S754 PolarHBondContact N-OG 2.99Å; A684-S754 VanDerWaalsContact N-OG 3.12Å; A684-S754 PolarHBondContact O-N 3.2Å; A684-S754 PolarHBondContact O-OG 3.35Å; S754-M756 VanDerWaalsContact C-N 3.32Å; S754-M756 PolarHBondContact O-N 3.31Å
755G92.1Very high91.5Very high28 Ų2839.7 Ų39.729%0.28922%0.221SC..THydrogen-bonded Turntrans-82-1.9176.100000115.6E682 C753E682-G755 WeakPolarHBondContact O-CA 3.13Å; E682-G755 PolarHBondContact O-N 3.33Å; E682-G755 VanDerWaalsContact O-N 3.07Å; C753-G755 PolarHBondContact O-N 3.38Å
756M89.7Confident91.8Very high94 Ų9440.4 Ų40.446%0.46323%0.228SC..THydrogen-bonded Turntrans-116.1-8.7-179.2-65.8-65.4-62.300113.5C753 S754 K805C753-M756 HydrophobicContact CB-CG 4.47Å; C753-M756 PolarHBondContact O-N 2.99Å; S754-M756 VanDerWaalsContact C-N 3.32Å; S754-M756 PolarHBondContact O-N 3.31Å; M756-K805 HydrophobicContact CG-CB 4.43Å; M756-K805 HydrophobicContact SD-CD 4.12Å; M756-K805 HydrophobicContact SD-CG 4.19Å
757D87.4Confident92.1Very high58 Ų5839.6 Ų39.631%0.3123%0.225SC..  trans-142.5149.8-176.4-157.7-46.6000108.7K688 F752 D759 F760K688-D757 VanDerWaalsContact CE-OD2 3.26Å; K688-D757 WeakPolarHBondContact CE-OD2 3.33Å; K688-D757 IonicContact NZ-OD1 3.24Å; K688-D757 PolarHBondContact NZ-OD1 3.45Å; K688-D757 IonicContact NZ-OD2 3.22Å; K688-D757 PolarHBondContact NZ-OD2 3.01Å; F752-D757 HydrophobicContact CD2-CB 3.68Å; F752-D757 HydrophobicContact CE2-CB 4.24Å; F752-D757 HydrophobicContact CG-CB 4.47Å; D757-D759 PolarHBondContact OD1-N 3.3Å; D757-F760 VanDerWaalsContact O-CE1 3.28Å; D757-F760 WeakPolarHBondContact O-CE1 3.43Å
758S87.3Confident92.6Very high111 Ų11140.3 Ų40.378%0.77624%0.235SC*.SBendtrans-108.5-13.4179.754.20000113.5
759D90.4Very high93.1Very high67 Ų6737.3 Ų37.336%0.35822%0.221SC..  trans-96.3116.4178.7171.331.1000110.6K688 D757 H761K688-D759 WeakPolarHBondContact CD-O 3.38Å; K688-D759 PolarHBondContact NZ-O 2.87Å; K688-D759 IonicContact NZ-OD2 2.82Å; D757-D759 PolarHBondContact OD1-N 3.3Å; D759-H761 WeakPolarHBondContact OD1-CB 3.39Å; D759-H761 PolarHBondContact OD1-N 3.27Å
760F94.9Very high93.5Very high39 Ų3937.1 Ų37.117%0.17122%0.217CC..  trans-108.8-3.1-178.1-50.3-29.1000113.2Y677 L686 F752 D757 P768Y677-F760 HydrophobicContact CD2-CE2 4.46Å; Y677-F760 HydrophobicContact CE1-CE2 4.43Å; Y677-F760 HydrophobicContact CE2-CD2 4.42Å; Y677-F760 AromaticContact CE2-CE2 3.57Å; Y677-F760 HydrophobicContact CE2-CE2 3.57Å; Y677-F760 AromaticContact CE2-CZ 3.81Å; Y677-F760 HydrophobicContact CE2-CZ 3.81Å; Y677-F760 AromaticContact CZ-CE2 3.56Å; Y677-F760 WeakPolarHBondContact OH-CE2 3.17Å; L686-F760 HydrophobicContact CD1-CD1 4.29Å; L686-F760 HydrophobicContact CD1-CG 4.36Å; F752-F760 AromaticContact CE2-CD1 3.37Å; F752-F760 HydrophobicContact CE2-CD1 3.37Å; F752-F760 AromaticContact CE2-CE1 3.68Å; F752-F760 HydrophobicContact CE2-CE1 3.68Å; F752-F760 HydrophobicContact CE2-CG 4.5Å; F752-F760 HydrophobicContact CZ-CB 4.26Å; F752-F760 AromaticContact CZ-CD1 3.45Å; F752-F760 HydrophobicContact CZ-CD1 3.45Å; F752-F760 VanDerWaalsContact CZ-CD1 3.45Å; F752-F760 HydrophobicContact CZ-CE1 4.23Å; F752-F760 HydrophobicContact CZ-CG 4.23Å; D757-F760 VanDerWaalsContact O-CE1 3.28Å; D757-F760 WeakPolarHBondContact O-CE1 3.43Å; F760-P768 CarbonylContact C-O 3.15Å; F760-P768 WeakPolarHBondContact CB-O 3.49Å; F760-P768 VanDerWaalsContact O-O 3.11Å
761H94.6Very high93.7Very high80 Ų8035.2 Ų35.237%0.3721%0.205SC..  trans-68.6141.1-168.5-172.766.3000111.9K688 H689 D759 S767K688-H761 WeakPolarHBondContact CB-O 3.44Å; H689-H761 PolarHBondContact N-O 2.7Å; D759-H761 WeakPolarHBondContact OD1-CB 3.39Å; D759-H761 PolarHBondContact OD1-N 3.27Å; H761-S767 PolarHBondContact ND1-O 3.35Å
762H94.8Very high93.7Very high15 Ų1535.6 Ų35.67%0.06921%0.208CC..BIsolated β-bridgetrans-111.191.3175.2-166-64000110.6H689 G764 L765 A766 S767 Y770H689-H762 AromaticContact ND1-CE1 3.88Å; H762-G764 PolarHBondContact O-N 3.39Å; H762-L765 HydrophobicContact CB-CB 4.47Å; H762-L765 VanDerWaalsContact CE1-CG 3.46Å; H762-L765 WeakPolarHBondContact CE1-CG 3.39Å; H762-L765 WeakPolarHBondContact ND1-CB 3.44Å; H762-L765 WeakPolarHBondContact ND1-CG 3.33Å; H762-L765 PolarHBondContact ND1-N 3Å; H762-L765 PolarHBondContact O-N 2.85Å; H762-L765 VanDerWaalsContact O-N 3.09Å; H762-A766 PolarHBondContact O-N 2.96Å; H762-S767 PolarHBondContact N-O 2.77Å; H762-S767 PolarHBondContact O-N 3.44Å; H762-Y770 AromaticContact CD2-CD1 3.75Å
763Y92.6Very high93.8Very high17 Ų1735 Ų357%0.06721%0.205CC..G310 helixtrans-49.1-52.5-174.4-176.9-100.2000113.3L628 H689 A691 P692 Y697 A716 M746 L765 A766L628-Y763 HydrophobicContact CD1-CD1 4.05Å; L628-Y763 HydrophobicContact CD1-CE1 3.61Å; H689-Y763 WeakPolarHBondContact O-CB 3.44Å; H689-Y763 PolarHBondContact O-N 3.5Å; A691-Y763 HydrophobicContact CB-CD2 3.75Å; A691-Y763 HydrophobicContact CB-CE2 4.07Å; A691-Y763 HydrophobicContact CB-CG 4.36Å; P692-Y763 HydrophobicContact CG-CE1 4.37Å; Y697-Y763 PolarHBondContact OH-OH 3.33Å; Y697-Y763 VanDerWaalsContact OH-OH 3.05Å; A716-Y763 HydrophobicContact CB-CD2 4.12Å; A716-Y763 HydrophobicContact CB-CE1 4.25Å; A716-Y763 HydrophobicContact CB-CE2 3.77Å; M746-Y763 HydrophobicContact CE-CE1 4.27Å; M746-Y763 HydrophobicContact SD-CD1 4.05Å; M746-Y763 HydrophobicContact SD-CE1 3.79Å; Y763-L765 VanDerWaalsContact C-N 3.3Å; Y763-L765 PolarHBondContact O-N 3.03Å; Y763-A766 PolarHBondContact O-N 2.92Å
764G89.7Confident93.8Very high10 Ų1035.2 Ų35.210%0.10321%0.206CC..G310 helixtrans-67.4-24.1-176.200000115.5L628 H689 H762L628-G764 PolarHBondContact N-O 2.82Å; H689-G764 PolarHBondContact ND1-N 3.12Å; H762-G764 PolarHBondContact O-N 3.39Å
765L91.9Very high93.9Very high30 Ų3034.9 Ų34.916%0.15720%0.204CC..G310 helixtrans-101.5-5.4-178.7-69.6174.9000112.1L666 H762 Y763 S767 Y770L666-L765 HydrophobicContact CD1-CD2 4.12Å; L666-L765 HydrophobicContact CD2-CD1 3.81Å; L666-L765 HydrophobicContact CD2-CD2 3.94Å; H762-L765 HydrophobicContact CB-CB 4.47Å; H762-L765 VanDerWaalsContact CE1-CG 3.46Å; H762-L765 WeakPolarHBondContact CE1-CG 3.39Å; H762-L765 WeakPolarHBondContact ND1-CB 3.44Å; H762-L765 WeakPolarHBondContact ND1-CG 3.33Å; H762-L765 PolarHBondContact ND1-N 3Å; H762-L765 PolarHBondContact O-N 2.85Å; H762-L765 VanDerWaalsContact O-N 3.09Å; Y763-L765 VanDerWaalsContact C-N 3.3Å; Y763-L765 PolarHBondContact O-N 3.03Å; L765-S767 PolarHBondContact O-N 2.85Å; L765-Y770 HydrophobicContact CD1-CD1 4.25Å; L765-Y770 HydrophobicContact CD1-CD2 3.85Å; L765-Y770 HydrophobicContact CD1-CE1 4.14Å; L765-Y770 HydrophobicContact CD1-CE2 3.73Å; L765-Y770 HydrophobicContact CD1-CG 4.11Å
766A93.4Very high94.1Very high25 Ų2533.5 Ų33.521%0.20719%0.19CC..THydrogen-bonded Turntrans49.140.8-170.400000113A627 H762 Y763A627-A766 HydrophobicContact CB-CB 4.39Å; H762-A766 PolarHBondContact O-N 2.96Å; Y763-A766 PolarHBondContact O-N 2.92Å
767S94.3Very high94.3Very high9 Ų929.1 Ų29.16%0.06317%0.168CC..BIsolated β-bridgetrans-111.1138.5178.7-172.20000111H761 H762 L765 I769H761-S767 PolarHBondContact ND1-O 3.35Å; H762-S767 PolarHBondContact N-O 2.77Å; H762-S767 PolarHBondContact O-N 3.44Å; L765-S767 PolarHBondContact O-N 2.85Å; S767-I769 VanDerWaalsContact C-N 3.31Å; S767-I769 PolarHBondContact O-N 2.94Å; S767-I769 PolarHBondContact OG-O 2.9Å
768P95.4Very high94.7Very high93 Ų9330.6 Ų30.660%0.60417%0.17SC*.SBendtrans-70.7-25.6176.528.8-35.4000113.4F760F760-P768 CarbonylContact C-O 3.15Å; F760-P768 WeakPolarHBondContact CB-O 3.49Å; F760-P768 VanDerWaalsContact O-O 3.11Å
769I97.3Very high95.1Very high14 Ų1427 Ų277%0.07214%0.139CC..  trans-147.6143.7179.6-163.1173000109.9A673 Q674 Y677 L686 S767A673-I769 HydrophobicContact CB-CD1 4.43Å; A673-I769 HydrophobicContact CB-CG1 4.1Å; A673-I769 HydrophobicContact CB-CG2 4.34Å; Q674-I769 HydrophobicContact CG-CG2 3.72Å; Y677-I769 HydrophobicContact CD1-CD1 4.06Å; Y677-I769 HydrophobicContact CD2-CD1 4.39Å; Y677-I769 HydrophobicContact CG-CD1 3.75Å; L686-I769 HydrophobicContact CD1-CD1 3.89Å; L686-I769 HydrophobicContact CD1-CG1 3.99Å; L686-I769 HydrophobicContact CD2-CD1 4.01Å; L686-I769 HydrophobicContact CD2-CG1 3.97Å; S767-I769 VanDerWaalsContact C-N 3.31Å; S767-I769 PolarHBondContact O-N 2.94Å; S767-I769 PolarHBondContact OG-O 2.9Å
770Y98Very high95.5Very high14 Ų1424.3 Ų24.36%0.05512%0.124CC..  trans-155.2149.8-179.3-174.1-105.6000111.3L666 N669 I670 R687 H762 L765 H772L666-Y770 HydrophobicContact CD2-CE2 3.77Å; N669-Y770 HydrophobicContact CB-CD2 4.11Å; N669-Y770 HydrophobicContact CB-CE2 3.48Å; N669-Y770 VanDerWaalsContact CB-CE2 3.48Å; N669-Y770 PolarHBondContact ND2-OH 3.01Å; N669-Y770 VanDerWaalsContact ND2-OH 3.11Å; I670-Y770 HydrophobicContact CG1-CD2 3.97Å; R687-Y770 HydrophobicContact CB-CD1 4.2Å; R687-Y770 PolarHBondContact N-O 2.93Å; H762-Y770 AromaticContact CD2-CD1 3.75Å; L765-Y770 HydrophobicContact CD1-CD1 4.25Å; L765-Y770 HydrophobicContact CD1-CD2 3.85Å; L765-Y770 HydrophobicContact CD1-CE1 4.14Å; L765-Y770 HydrophobicContact CD1-CE2 3.73Å; L765-Y770 HydrophobicContact CD1-CG 4.11Å; Y770-H772 AromaticContact CE1-CD2 3.48Å; Y770-H772 VanDerWaalsContact CE1-CD2 3.48Å; Y770-H772 WeakPolarHBondContact CE1-CD2 3.31Å; Y770-H772 AromaticContact CE1-NE2 3.51Å; Y770-H772 AromaticContact CZ-CD2 3.69Å; Y770-H772 AromaticContact CZ-NE2 3.87Å; Y770-H772 PolarHBondContact OH-CD2 2.81Å; Y770-H772 VanDerWaalsContact OH-CD2 3.28Å; Y770-H772 PolarHBondContact OH-NE2 2.73Å
771T98.3Very high95.7Very high0 Ų022.5 Ų22.50%012%0.116CC..  trans-147.6178.2171-161.40000110.2N669 V672 A673 I676 L685 V785N669-T771 WeakPolarHBondContact CB-O 2.87Å; N669-T771 VanDerWaalsContact CG-O 3.26Å; V672-T771 HydrophobicContact CG1-CG2 4.37Å; A673-T771 HydrophobicContact CB-CG2 3.77Å; I676-T771 HydrophobicContact CD1-CG2 4.22Å; L685-T771 PolarHBondContact O-OG1 2.86Å; T771-V785 HydrophobicContact CG2-CG1 4.03Å; T771-V785 HydrophobicContact CG2-CG2 4.26Å; T771-V785 WeakPolarHBondContact OG1-CG2 3.48Å
772H98.3Very high95.8Very high19 Ų1918.7 Ų18.79%0.08810%0.099CC..  trans-111.8127.7169.6-72.9162.7000110.8R687 Y751 Y770 R779 D782 V785R687-H772 VanDerWaalsContact CD-CE1 3.44Å; R687-H772 WeakPolarHBondContact CD-CE1 3.45Å; R687-H772 PolarHBondContact NH1-CE1 3.02Å; R687-H772 PolarHBondContact NH1-ND1 3.48Å; Y751-H772 HydrophobicContact CE1-CB 4.35Å; Y751-H772 AromaticContact CE1-ND1 3.77Å; Y751-H772 AromaticContact CZ-ND1 3.66Å; Y751-H772 PolarHBondContact OH-ND1 2.98Å; Y770-H772 AromaticContact CE1-CD2 3.48Å; Y770-H772 VanDerWaalsContact CE1-CD2 3.48Å; Y770-H772 WeakPolarHBondContact CE1-CD2 3.31Å; Y770-H772 AromaticContact CE1-NE2 3.51Å; Y770-H772 AromaticContact CZ-CD2 3.69Å; Y770-H772 AromaticContact CZ-NE2 3.87Å; Y770-H772 PolarHBondContact OH-CD2 2.81Å; Y770-H772 VanDerWaalsContact OH-CD2 3.28Å; Y770-H772 PolarHBondContact OH-NE2 2.73Å; H772-R779 PolarHBondContact CE1-NH1 3.47Å; H772-R779 VanDerWaalsContact CE1-NH1 3.34Å; H772-R779 PolarHBondContact ND1-NH1 2.82Å; H772-D782 WeakPolarHBondContact CB-OD1 3.35Å; H772-D782 WeakPolarHBondContact O-CA 3.19Å; H772-V785 WeakPolarHBondContact O-CG2 3.49Å
773F97.8Very high96Very high0 Ų018 Ų180%010%0.095CC..  trans-128.8-25-178.4169-107.4000112.5I504 F558 N669 V672 S775 V785 H786 L789I504-F773 HydrophobicContact CB-CE1 4.15Å; I504-F773 HydrophobicContact CB-CZ 4.38Å; I504-F773 HydrophobicContact CG1-CD1 3.94Å; I504-F773 HydrophobicContact CG1-CE1 3.51Å; I504-F773 HydrophobicContact CG1-CZ 4.22Å; F558-F773 HydrophobicContact CB-CE2 4.42Å; F558-F773 HydrophobicContact CB-CZ 3.98Å; F558-F773 HydrophobicContact CD1-CE2 4.06Å; F558-F773 HydrophobicContact CD1-CZ 4.32Å; F558-F773 HydrophobicContact CD2-CZ 4.28Å; F558-F773 HydrophobicContact CG-CE2 4.15Å; F558-F773 AromaticContact CG-CZ 3.93Å; F558-F773 HydrophobicContact CG-CZ 3.93Å; N669-F773 WeakPolarHBondContact OD1-CB 3.46Å; N669-F773 PolarHBondContact OD1-N 3.36Å; V672-F773 HydrophobicContact CB-CB 4.33Å; V672-F773 HydrophobicContact CB-CG 4.3Å; V672-F773 HydrophobicContact CG1-CB 4.18Å; V672-F773 HydrophobicContact CG1-CD2 4.04Å; V672-F773 HydrophobicContact CG1-CG 4.16Å; V672-F773 HydrophobicContact CG2-CB 4.35Å; V672-F773 HydrophobicContact CG2-CD1 3.83Å; V672-F773 HydrophobicContact CG2-CD2 4.13Å; V672-F773 HydrophobicContact CG2-CE1 4.11Å; V672-F773 HydrophobicContact CG2-CE2 4.4Å; V672-F773 HydrophobicContact CG2-CG 3.84Å; V672-F773 HydrophobicContact CG2-CZ 4.39Å; F773-S775 PolarHBondContact O-N 2.98Å; F773-V785 HydrophobicContact CB-CG1 4.09Å; F773-V785 HydrophobicContact CD2-CG1 4.01Å; F773-H786 AromaticContact CD2-CD2 3.26Å; F773-H786 WeakPolarHBondContact CD2-CD2 3.37Å; F773-H786 AromaticContact CD2-NE2 3.34Å; F773-H786 VanDerWaalsContact CD2-NE2 3.34Å; F773-H786 WeakPolarHBondContact CD2-NE2 3.41Å; F773-H786 AromaticContact CE2-CD2 3.31Å; F773-H786 WeakPolarHBondContact CE2-CD2 3.41Å; F773-H786 AromaticContact CE2-CE1 3.68Å; F773-H786 AromaticContact CE2-CG 3.87Å; F773-H786 AromaticContact CE2-NE2 3.19Å; F773-H786 WeakPolarHBondContact CE2-NE2 3.1Å; F773-H786 AromaticContact CZ-NE2 3.8Å; F773-H786 PolarHBondContact O-CD2 3.27Å; F773-H786 PolarHBondContact O-NE2 2.99Å; F773-L789 HydrophobicContact CD2-CD2 4.31Å; F773-L789 HydrophobicContact CE2-CD2 3.66Å; F773-L789 HydrophobicContact CZ-CD2 4.03Å
774T96.6Very high96.3Very high8 Ų817.3 Ų17.35%0.0499%0.093CC..SBendtrans-86.42.8-159.657.60000115.7D485 I504 M665 A668 N669 R779 D782D485-T774 WeakPolarHBondContact CB-O 3.46Å; I504-T774 HydrophobicContact CD1-CG2 4.06Å; M665-T774 HydrophobicContact CB-CG2 4.07Å; M665-T774 HydrophobicContact CG-CG2 4.31Å; M665-T774 VanDerWaalsContact SD-CB 3.58Å; M665-T774 HydrophobicContact SD-CG2 3.43Å; M665-T774 WeakPolarHBondContact SD-CG2 3.36Å; A668-T774 HydrophobicContact CB-CG2 4.02Å; N669-T774 WeakPolarHBondContact OD1-CG2 3.27Å; T774-R779 PolarHBondContact OG1-NH2 2.92Å; T774-D782 PolarHBondContact N-OD2 3.21Å
775S96.5Very high96.7Very high1 Ų116.8 Ų16.81%0.0079%0.088CC..  trans-149.661.4-176.8-52.30000114.9D485 F773 I777 R778 R779 D782D485-S775 VanDerWaalsContact CG-CA 3.43Å; D485-S775 WeakPolarHBondContact OD1-CA 3.37Å; D485-S775 WeakPolarHBondContact OD2-CA 3.48Å; D485-S775 VanDerWaalsContact OD2-CB 3.29Å; D485-S775 WeakPolarHBondContact OD2-CB 3.34Å; F773-S775 PolarHBondContact O-N 2.98Å; S775-I777 VanDerWaalsContact C-N 3.26Å; S775-I777 PolarHBondContact O-N 3.36Å; S775-R778 WeakPolarHBondContact O-CG 3.45Å; S775-R778 PolarHBondContact O-N 3.31Å; S775-R778 PolarHBondContact OG-NE 3.24Å; S775-R778 VanDerWaalsContact OG-NE 3.12Å; S775-R778 PolarHBondContact OG-NH2 3.22Å; S775-R779 PolarHBondContact O-N 3.39Å; S775-R779 PolarHBondContact OG-NH2 3.24Å; S775-D782 VanDerWaalsContact C-OD2 3.25Å; S775-D782 VanDerWaalsContact CA-OD2 3.29Å; S775-D782 WeakPolarHBondContact CA-OD2 3.31Å; S775-D782 PolarHBondContact N-OD2 2.92Å
776P97.1Very high97Very high0 Ų015.4 Ų15.40%08%0.08CC..THydrogen-bonded Turntrans-70.7-14.2-178.733.6-39000114.5D485 I504 A505 V507 M537 R778 D782 I783D485-P776 WeakPolarHBondContact OD1-CD 3.35Å; I504-P776 VanDerWaalsContact CG2-CD 3.42Å; I504-P776 HydrophobicContact CG2-CG 3.87Å; A505-P776 WeakPolarHBondContact O-CG 3.29Å; V507-P776 HydrophobicContact CB-CB 3.98Å; V507-P776 HydrophobicContact CB-CG 4.19Å; V507-P776 HydrophobicContact CG2-CB 3.95Å; V507-P776 HydrophobicContact CG2-CG 3.75Å; M537-P776 WeakPolarHBondContact CE-O 3.33Å; P776-R778 VanDerWaalsContact C-N 3.28Å; P776-D782 HydrophobicContact CB-CB 4Å; P776-I783 HydrophobicContact CB-CG1 3.9Å; P776-I783 WeakPolarHBondContact O-CG1 3.43Å
777I94.4Very high97.2Very high2 Ų214.6 Ų14.61%0.017%0.072CC..THydrogen-bonded Turntrans-66.7-36.6171.5-64.2169.2000110.2D483 D485 A505 V507 M537 V538 C547 S775D483-I777 HydrophobicContact CB-CG2 3.95Å; D485-I777 WeakPolarHBondContact OD1-CB 3.4Å; D485-I777 WeakPolarHBondContact OD1-CD1 3.48Å; D485-I777 WeakPolarHBondContact OD1-CG1 3.36Å; D485-I777 PolarHBondContact OD1-N 3.45Å; A505-I777 HydrophobicContact CB-CD1 4.03Å; A505-I777 HydrophobicContact CB-CG1 4.29Å; V507-I777 HydrophobicContact CG2-CG1 3.66Å; M537-I777 WeakPolarHBondContact CE-O 3.44Å; V538-I777 HydrophobicContact CG2-CG2 4.22Å; C547-I777 HydrophobicContact CB-CD1 4.02Å; C547-I777 HydrophobicContact CB-CG1 3.99Å; S775-I777 VanDerWaalsContact C-N 3.26Å; S775-I777 PolarHBondContact O-N 3.36Å
778R94.9Very high97.4Very high89 Ų8914.2 Ų14.234%0.3367%0.069SC..THydrogen-bonded Turntrans-109.6-10.8-172.756.9176.1179.3157.72.2115.8D485 T526 T527 Y529 S775 P776D485-R778 IonicContact OD2-NE 3.1Å; T526-R778 CarbonylContact C-O 3.42Å; T526-R778 VanDerWaalsContact CA-O 3.22Å; T526-R778 WeakPolarHBondContact CA-O 3.31Å; T526-R778 PolarHBondContact OG1-O 3.21Å; T527-R778 PolarHBondContact N-O 3.1Å; Y529-R778 WeakPolarHBondContact OH-CD 3.41Å; S775-R778 WeakPolarHBondContact O-CG 3.45Å; S775-R778 PolarHBondContact O-N 3.31Å; S775-R778 PolarHBondContact OG-NE 3.24Å; S775-R778 VanDerWaalsContact OG-NE 3.12Å; S775-R778 PolarHBondContact OG-NH2 3.22Å; P776-R778 VanDerWaalsContact C-N 3.28Å
779R97Very high97.5Very high35 Ų359.8 Ų9.813%0.1324%0.04CC..BIsolated β-bridgetrans-133.5126.7-179.9-66.4-178.5-61.2-154.5-1.9111.6H772 T774 S775 A781 D782H772-R779 PolarHBondContact CE1-NH1 3.47Å; H772-R779 VanDerWaalsContact CE1-NH1 3.34Å; H772-R779 PolarHBondContact ND1-NH1 2.82Å; T774-R779 PolarHBondContact OG1-NH2 2.92Å; S775-R779 PolarHBondContact O-N 3.39Å; S775-R779 PolarHBondContact OG-NH2 3.24Å; R779-A781 VanDerWaalsContact C-N 3.32Å; R779-A781 PolarHBondContact O-N 3.41Å; R779-D782 HydrophobicContact CB-CB 4.37Å; R779-D782 VanDerWaalsContact CB-OD1 3.3Å; R779-D782 WeakPolarHBondContact CB-OD1 3.15Å; R779-D782 IonicContact CZ-OD1 3.93Å; R779-D782 IonicContact CZ-OD2 2.7Å; R779-D782 VanDerWaalsContact CZ-OD2 3.24Å; R779-D782 IonicContact NE-OD1 3.02Å; R779-D782 PolarHBondContact NE-OD1 3.15Å; R779-D782 IonicContact NE-OD2 3.32Å; R779-D782 PolarHBondContact NE-OD2 3.23Å; R779-D782 IonicContact NH2-OD1 3.87Å; R779-D782 IonicContact NH2-OD2 3.59Å; R779-D782 PolarHBondContact NH2-OD2 2.74Å; R779-D782 PolarHBondContact O-N 2.82Å
780Y98.3Very high97.6Very high10 Ų109.1 Ų9.14%0.0394%0.037CC..Hα-helixtrans-72.6-27.5178.4-172.9-102.1000112.4D518 A521 A522 G525 M537 D782 I783 I784 R787 L811 L815D518-Y780 WeakPolarHBondContact OD1-CE2 3.43Å; D518-Y780 PolarHBondContact OD1-OH 2.75Å; A521-Y780 HydrophobicContact CB-CD2 3.83Å; A521-Y780 HydrophobicContact CB-CE2 4.19Å; A522-Y780 HydrophobicContact CB-CD1 4.03Å; A522-Y780 HydrophobicContact CB-CD2 4.34Å; A522-Y780 HydrophobicContact CB-CE1 3.6Å; A522-Y780 HydrophobicContact CB-CE2 3.98Å; A522-Y780 HydrophobicContact CB-CG 4.37Å; G525-Y780 PolarHBondContact O-N 3.07Å; M537-Y780 PolarHBondContact SD-N 2.81Å; Y780-D782 VanDerWaalsContact C-N 3.25Å; Y780-D782 PolarHBondContact O-N 2.94Å; Y780-I783 HydrophobicContact CD2-CB 4.38Å; Y780-I783 HydrophobicContact CD2-CD1 4.02Å; Y780-I783 HydrophobicContact CE2-CG2 4.48Å; Y780-I783 WeakPolarHBondContact O-CB 3.35Å; Y780-I783 PolarHBondContact O-N 2.59Å; Y780-I783 VanDerWaalsContact O-N 3.13Å; Y780-I784 HydrophobicContact CD1-CG1 4.17Å; Y780-I784 HydrophobicContact CE1-CD1 3.74Å; Y780-I784 HydrophobicContact CE1-CG1 3.81Å; Y780-I784 PolarHBondContact O-N 2.95Å; Y780-I784 VanDerWaalsContact O-N 3.13Å; Y780-R787 PolarHBondContact OH-NH1 3.33Å; Y780-L811 HydrophobicContact CD1-CD1 3.93Å; Y780-L811 HydrophobicContact CD1-CD2 4.28Å; Y780-L811 HydrophobicContact CE1-CD1 3.73Å; Y780-L811 HydrophobicContact CE1-CD2 3.76Å; Y780-L811 HydrophobicContact CE1-CG 4.35Å; Y780-L815 HydrophobicContact CD1-CD1 4.43Å; Y780-L815 HydrophobicContact CD1-CD2 4.1Å
781A97.8Very high97.5Very high2 Ų29.8 Ų9.82%0.0174%0.043CC..Hα-helixtrans-53.2-46.1171.800000111.2L685 Y751 R779 I783 I784 V785 L815L685-A781 HydrophobicContact CD2-CB 4.01Å; Y751-A781 HydrophobicContact CD1-CB 4.16Å; Y751-A781 HydrophobicContact CE1-CB 3.64Å; Y751-A781 HydrophobicContact CE2-CB 4.24Å; R779-A781 VanDerWaalsContact C-N 3.32Å; R779-A781 PolarHBondContact O-N 3.41Å; A781-I783 VanDerWaalsContact C-N 3.33Å; A781-I783 PolarHBondContact O-N 3.1Å; A781-I784 WeakPolarHBondContact O-CB 3.39Å; A781-I784 PolarHBondContact O-N 3.18Å; A781-I784 VanDerWaalsContact O-N 3.13Å; A781-V785 WeakPolarHBondContact O-CG2 2.98Å; A781-V785 PolarHBondContact O-N 2.97Å; A781-L815 HydrophobicContact CB-CD1 4.02Å
782D98.3Very high97.5Very high0 Ų010.3 Ų10.30%05%0.047CC..Hα-helixtrans-65.4-36.2-179.7-56.831.2000110.9H772 T774 S775 P776 R779 Y780 I784 V785 H786H772-D782 WeakPolarHBondContact CB-OD1 3.35Å; H772-D782 WeakPolarHBondContact O-CA 3.19Å; T774-D782 PolarHBondContact N-OD2 3.21Å; S775-D782 VanDerWaalsContact C-OD2 3.25Å; S775-D782 VanDerWaalsContact CA-OD2 3.29Å; S775-D782 WeakPolarHBondContact CA-OD2 3.31Å; S775-D782 PolarHBondContact N-OD2 2.92Å; P776-D782 HydrophobicContact CB-CB 4Å; R779-D782 HydrophobicContact CB-CB 4.37Å; R779-D782 VanDerWaalsContact CB-OD1 3.3Å; R779-D782 WeakPolarHBondContact CB-OD1 3.15Å; R779-D782 IonicContact CZ-OD1 3.93Å; R779-D782 IonicContact CZ-OD2 2.7Å; R779-D782 VanDerWaalsContact CZ-OD2 3.24Å; R779-D782 IonicContact NE-OD1 3.02Å; R779-D782 PolarHBondContact NE-OD1 3.15Å; R779-D782 IonicContact NE-OD2 3.32Å; R779-D782 PolarHBondContact NE-OD2 3.23Å; R779-D782 IonicContact NH2-OD1 3.87Å; R779-D782 IonicContact NH2-OD2 3.59Å; R779-D782 PolarHBondContact NH2-OD2 2.74Å; R779-D782 PolarHBondContact O-N 2.82Å; Y780-D782 VanDerWaalsContact C-N 3.25Å; Y780-D782 PolarHBondContact O-N 2.94Å; D782-I784 VanDerWaalsContact C-N 3.34Å; D782-I784 PolarHBondContact O-N 2.95Å; D782-V785 PolarHBondContact O-N 3.1Å; D782-H786 WeakPolarHBondContact O-CB 3.31Å; D782-H786 PolarHBondContact O-CD2 3.38Å; D782-H786 PolarHBondContact O-N 2.88Å
783I98.3Very high97.4Very high0 Ų012.1 Ų12.10%06%0.057CC..Hα-helixtrans-60.7-43173-64174.3000111V507 I511 M537 P776 Y780 A781 H786 R787V507-I783 HydrophobicContact CG1-CD1 3.99Å; V507-I783 HydrophobicContact CG1-CG1 4.26Å; I511-I783 HydrophobicContact CD1-CD1 3.99Å; M537-I783 HydrophobicContact CE-CD1 3.67Å; P776-I783 HydrophobicContact CB-CG1 3.9Å; P776-I783 WeakPolarHBondContact O-CG1 3.43Å; Y780-I783 HydrophobicContact CD2-CB 4.38Å; Y780-I783 HydrophobicContact CD2-CD1 4.02Å; Y780-I783 HydrophobicContact CE2-CG2 4.48Å; Y780-I783 WeakPolarHBondContact O-CB 3.35Å; Y780-I783 PolarHBondContact O-N 2.59Å; Y780-I783 VanDerWaalsContact O-N 3.13Å; A781-I783 VanDerWaalsContact C-N 3.33Å; A781-I783 PolarHBondContact O-N 3.1Å; I783-H786 WeakPolarHBondContact O-CB 3.17Å; I783-H786 PolarHBondContact O-N 3.48Å; I783-R787 WeakPolarHBondContact O-CG 3.47Å; I783-R787 PolarHBondContact O-N 3.4Å
784I98.1Very high97.2Very high2 Ų215.3 Ų15.31%0.019%0.089CC..Hα-helixtrans-64.8-43.4176-61.2-55.6000111.1L685 Y780 A781 D782 H786 R787 L788 L802 L811L685-I784 HydrophobicContact CB-CG2 4.28Å; L685-I784 HydrophobicContact CD1-CB 4.05Å; L685-I784 HydrophobicContact CD1-CG1 4.46Å; L685-I784 HydrophobicContact CD1-CG2 3.96Å; Y780-I784 HydrophobicContact CD1-CG1 4.17Å; Y780-I784 HydrophobicContact CE1-CD1 3.74Å; Y780-I784 HydrophobicContact CE1-CG1 3.81Å; Y780-I784 PolarHBondContact O-N 2.95Å; Y780-I784 VanDerWaalsContact O-N 3.13Å; A781-I784 WeakPolarHBondContact O-CB 3.39Å; A781-I784 PolarHBondContact O-N 3.18Å; A781-I784 VanDerWaalsContact O-N 3.13Å; D782-I784 VanDerWaalsContact C-N 3.34Å; D782-I784 PolarHBondContact O-N 2.95Å; I784-H786 VanDerWaalsContact C-N 3.31Å; I784-H786 PolarHBondContact O-N 2.8Å; I784-R787 WeakPolarHBondContact O-CB 3.34Å; I784-R787 PolarHBondContact O-N 3.15Å; I784-R787 VanDerWaalsContact O-N 3.14Å; I784-L788 HydrophobicContact CG2-CD1 4.19Å; I784-L788 HydrophobicContact CG2-CG 4.47Å; I784-L788 WeakPolarHBondContact O-CG 3.3Å; I784-L788 PolarHBondContact O-N 3.45Å; I784-L802 HydrophobicContact CG2-CD1 4.1Å; I784-L811 HydrophobicContact CD1-CD2 4.11Å; I784-L811 HydrophobicContact CG1-CD2 3.79Å
785V98.4Very high97.1Very high0 Ų017.2 Ų17.20%011%0.106CC..Hα-helixtrans-62-40175.8172.90000111.1V672 I676 L685 T771 H772 F773 A781 D782 R787 L788 L789V672-V785 HydrophobicContact CG1-CG1 3.47Å; V672-V785 VanDerWaalsContact CG1-CG1 3.47Å; I676-V785 HydrophobicContact CD1-CG1 4.19Å; I676-V785 HydrophobicContact CD1-CG2 4.36Å; L685-V785 HydrophobicContact CB-CG2 4.35Å; L685-V785 HydrophobicContact CD2-CG2 4.18Å; T771-V785 HydrophobicContact CG2-CG1 4.03Å; T771-V785 HydrophobicContact CG2-CG2 4.26Å; T771-V785 WeakPolarHBondContact OG1-CG2 3.48Å; H772-V785 WeakPolarHBondContact O-CG2 3.49Å; F773-V785 HydrophobicContact CB-CG1 4.09Å; F773-V785 HydrophobicContact CD2-CG1 4.01Å; A781-V785 WeakPolarHBondContact O-CG2 2.98Å; A781-V785 PolarHBondContact O-N 2.97Å; D782-V785 PolarHBondContact O-N 3.1Å; V785-R787 VanDerWaalsContact C-N 3.34Å; V785-R787 PolarHBondContact O-N 3.19Å; V785-L788 PolarHBondContact O-N 3.28Å; V785-L789 VanDerWaalsContact O-CB 3.31Å; V785-L789 WeakPolarHBondContact O-CB 3.43Å; V785-L789 PolarHBondContact O-N 2.78Å
786H98.5Very high96.9Very high0 Ų019.9 Ų19.90%012%0.12CC..Hα-helixtrans-62.1-39.4173.4-86.9-123000112.1F558 F773 D782 I783 I784 A790F558-H786 HydrophobicContact CD1-CB 4.47Å; F558-H786 AromaticContact CD1-ND1 3.67Å; F773-H786 AromaticContact CD2-CD2 3.26Å; F773-H786 WeakPolarHBondContact CD2-CD2 3.37Å; F773-H786 AromaticContact CD2-NE2 3.34Å; F773-H786 VanDerWaalsContact CD2-NE2 3.34Å; F773-H786 WeakPolarHBondContact CD2-NE2 3.41Å; F773-H786 AromaticContact CE2-CD2 3.31Å; F773-H786 WeakPolarHBondContact CE2-CD2 3.41Å; F773-H786 AromaticContact CE2-CE1 3.68Å; F773-H786 AromaticContact CE2-CG 3.87Å; F773-H786 AromaticContact CE2-NE2 3.19Å; F773-H786 WeakPolarHBondContact CE2-NE2 3.1Å; F773-H786 AromaticContact CZ-NE2 3.8Å; F773-H786 PolarHBondContact O-CD2 3.27Å; F773-H786 PolarHBondContact O-NE2 2.99Å; D782-H786 WeakPolarHBondContact O-CB 3.31Å; D782-H786 PolarHBondContact O-CD2 3.38Å; D782-H786 PolarHBondContact O-N 2.88Å; I783-H786 WeakPolarHBondContact O-CB 3.17Å; I783-H786 PolarHBondContact O-N 3.48Å; I784-H786 VanDerWaalsContact C-N 3.31Å; I784-H786 PolarHBondContact O-N 2.8Å; H786-A790 VanDerWaalsContact O-CB 3.22Å; H786-A790 WeakPolarHBondContact O-CB 3.5Å; H786-A790 PolarHBondContact O-N 3.34Å
787R98.2Very high96.6Very high9 Ų922.3 Ų22.33%0.03415%0.145CC..Hα-helixtrans-64.9-49.6174.8-72172.2-179.5164.36.1110.9I511 D518 Y780 I783 I784 V785 L789 A790 V791 Y799 L802I511-R787 PolarHBondContact O-NH2 3.33Å; D518-R787 IonicContact OD1-CZ 3.12Å; D518-R787 IonicContact OD1-NH1 2.75Å; D518-R787 PolarHBondContact OD1-NH1 3.33Å; D518-R787 IonicContact OD1-NH2 2.75Å; D518-R787 PolarHBondContact OD1-NH2 2.99Å; D518-R787 IonicContact OD2-NH1 3.87Å; Y780-R787 PolarHBondContact OH-NH1 3.33Å; I783-R787 WeakPolarHBondContact O-CG 3.47Å; I783-R787 PolarHBondContact O-N 3.4Å; I784-R787 WeakPolarHBondContact O-CB 3.34Å; I784-R787 PolarHBondContact O-N 3.15Å; I784-R787 VanDerWaalsContact O-N 3.14Å; V785-R787 VanDerWaalsContact C-N 3.34Å; V785-R787 PolarHBondContact O-N 3.19Å; R787-L789 PolarHBondContact O-N 3.08Å; R787-A790 PolarHBondContact O-N 2.96Å; R787-V791 WeakPolarHBondContact O-CG2 3.46Å; R787-V791 PolarHBondContact O-N 3.36Å; R787-Y799 WeakPolarHBondContact CD-OH 3.3Å; R787-Y799 PolarHBondContact NH1-OH 2.94Å; R787-L802 HydrophobicContact CB-CD1 4.38Å; R787-L802 HydrophobicContact CB-CD2 4.28Å
788L98Very high96.6Very high0 Ų026.2 Ų26.20%017%0.169CC..Hα-helixtrans-58-47.7177.1-71.7171.2000111.3I676 F680 L685 I784 V785 A790 V791 A792 L802 M803I676-L788 HydrophobicContact CB-CB 4.49Å; I676-L788 HydrophobicContact CG2-CB 4.15Å; F680-L788 HydrophobicContact CD2-CB 4.48Å; F680-L788 HydrophobicContact CD2-CD2 4.03Å; F680-L788 HydrophobicContact CE2-CD2 4.46Å; F680-L788 WeakPolarHBondContact CE2-O 3.31Å; F680-L788 HydrophobicContact CG-CD2 4.4Å; L685-L788 HydrophobicContact CB-CD1 4.44Å; I784-L788 HydrophobicContact CG2-CD1 4.19Å; I784-L788 HydrophobicContact CG2-CG 4.47Å; I784-L788 WeakPolarHBondContact O-CG 3.3Å; I784-L788 PolarHBondContact O-N 3.45Å; V785-L788 PolarHBondContact O-N 3.28Å; L788-A790 PolarHBondContact O-N 2.87Å; L788-V791 PolarHBondContact O-N 3.36Å; L788-A792 WeakPolarHBondContact O-CB 3.28Å; L788-A792 PolarHBondContact O-N 3.31Å; L788-L802 HydrophobicContact CD2-CD1 3.85Å; L788-L802 HydrophobicContact CD2-CD2 4.01Å; L788-L802 HydrophobicContact CD2-CG 3.7Å; L788-L802 HydrophobicContact CG-CD1 4.02Å; L788-L802 HydrophobicContact CG-CG 4.39Å; L788-M803 HydrophobicContact CD2-CE 4.16Å
789L98.4Very high96.5Very high0 Ų024.4 Ų24.40%016%0.162CC..Hα-helixtrans-65.5-38.1179.5-172.465000112.1F558 F575 V672 K675 I676 F773 V785 R787 A792 I793F558-L789 HydrophobicContact CD1-CD2 4.38Å; F558-L789 HydrophobicContact CD2-CD2 4.25Å; F558-L789 HydrophobicContact CE1-CB 3.93Å; F558-L789 HydrophobicContact CE1-CD2 3.84Å; F558-L789 HydrophobicContact CE1-CG 3.92Å; F558-L789 HydrophobicContact CE2-CD2 3.7Å; F558-L789 HydrophobicContact CE2-CG 4.06Å; F558-L789 HydrophobicContact CZ-CB 3.95Å; F558-L789 HydrophobicContact CZ-CD2 3.49Å; F558-L789 VanDerWaalsContact CZ-CD2 3.49Å; F558-L789 HydrophobicContact CZ-CG 3.45Å; F558-L789 VanDerWaalsContact CZ-CG 3.45Å; F575-L789 HydrophobicContact CB-CD1 4.46Å; F575-L789 HydrophobicContact CD1-CD1 4.32Å; F575-L789 HydrophobicContact CD1-CD2 3.97Å; F575-L789 HydrophobicContact CD2-CD1 4.32Å; F575-L789 HydrophobicContact CG-CD1 4.12Å; F575-L789 HydrophobicContact CG-CD2 4.38Å; V672-L789 HydrophobicContact CG1-CD1 4.42Å; V672-L789 HydrophobicContact CG1-CD2 4Å; V672-L789 HydrophobicContact CG2-CD2 3.81Å; K675-L789 HydrophobicContact CB-CD1 4.3Å; K675-L789 HydrophobicContact CG-CD1 3.86Å; I676-L789 HydrophobicContact CG2-CB 4.06Å; I676-L789 HydrophobicContact CG2-CD1 4.15Å; F773-L789 HydrophobicContact CD2-CD2 4.31Å; F773-L789 HydrophobicContact CE2-CD2 3.66Å; F773-L789 HydrophobicContact CZ-CD2 4.03Å; V785-L789 VanDerWaalsContact O-CB 3.31Å; V785-L789 WeakPolarHBondContact O-CB 3.43Å; V785-L789 PolarHBondContact O-N 2.78Å; R787-L789 PolarHBondContact O-N 3.08Å; L789-A792 PolarHBondContact O-N 3.04Å; L789-I793 WeakPolarHBondContact O-CG1 3.42Å; L789-I793 PolarHBondContact O-N 2.96Å; L789-I793 VanDerWaalsContact O-N 3.14Å
790A97.9Very high96.2Very high0 Ų027.9 Ų27.90%019%0.19CC..Hα-helixtrans-62.5-42.5176.200000111.7F558 H786 R787 L788 I793 G794 A795 D796F558-A790 HydrophobicContact CE1-CB 4.1Å; H786-A790 VanDerWaalsContact O-CB 3.22Å; H786-A790 WeakPolarHBondContact O-CB 3.5Å; H786-A790 PolarHBondContact O-N 3.34Å; R787-A790 PolarHBondContact O-N 2.96Å; L788-A790 PolarHBondContact O-N 2.87Å; A790-I793 WeakPolarHBondContact O-CG1 3.39Å; A790-I793 PolarHBondContact O-N 3.1Å; A790-G794 PolarHBondContact O-N 2.69Å; A790-A795 PolarHBondContact O-N 2.73Å; A790-D796 HydrophobicContact CB-CB 4.06Å; A790-D796 PolarHBondContact O-N 2.93Å
791V97.1Very high95.8Very high29 Ų2931 Ų3118%0.17621%0.207CC..Hα-helixtrans-66.7-40.9173.9-178.40000110.7F680 R787 L788 I793 G794 L802F680-V791 HydrophobicContact CE2-CB 4.44Å; F680-V791 HydrophobicContact CE2-CG1 4.48Å; F680-V791 HydrophobicContact CZ-CB 4.15Å; F680-V791 HydrophobicContact CZ-CG1 3.72Å; R787-V791 WeakPolarHBondContact O-CG2 3.46Å; R787-V791 PolarHBondContact O-N 3.36Å; L788-V791 PolarHBondContact O-N 3.36Å; V791-I793 PolarHBondContact O-N 2.87Å; V791-G794 PolarHBondContact O-N 3.19Å; V791-L802 HydrophobicContact CG2-CD2 4.3Å
792A97.1Very high95.5Very high11 Ų1130.9 Ų30.99%0.09121%0.206CC..Hα-helixtrans-62.5-23.9179.900000114.2E679 F680 L788 L789E679-A792 HydrophobicContact CB-CB 4.04Å; E679-A792 HydrophobicContact CG-CB 3.91Å; F680-A792 HydrophobicContact CE2-CB 3.88Å; L788-A792 WeakPolarHBondContact O-CB 3.28Å; L788-A792 PolarHBondContact O-N 3.31Å; L789-A792 PolarHBondContact O-N 3.04Å
793I96.4Very high95.3Very high57 Ų5733.9 Ų33.929%0.29222%0.221SC..THydrogen-bonded Turntrans-102.15.2175.169.2172.5000113F558 F575 L789 A790 V791 A795F558-I793 HydrophobicContact CE2-CD1 3.77Å; F558-I793 HydrophobicContact CZ-CD1 3.65Å; F558-I793 HydrophobicContact CZ-CG1 4.42Å; F575-I793 HydrophobicContact CB-CG2 3.99Å; L789-I793 WeakPolarHBondContact O-CG1 3.42Å; L789-I793 PolarHBondContact O-N 2.96Å; L789-I793 VanDerWaalsContact O-N 3.14Å; A790-I793 WeakPolarHBondContact O-CG1 3.39Å; A790-I793 PolarHBondContact O-N 3.1Å; V791-I793 PolarHBondContact O-N 2.87Å; I793-A795 VanDerWaalsContact C-N 3.28Å; I793-A795 HydrophobicContact CD1-CB 3.94Å; I793-A795 HydrophobicContact CG1-CB 3.75Å; I793-A795 PolarHBondContact O-N 2.89Å
794G94.8Very high95.1Very high66 Ų6636.5 Ų36.568%0.6824%0.235SC*.THydrogen-bonded Turntrans68.920.1-178.800000114.8A790 V791A790-G794 PolarHBondContact O-N 2.69Å; V791-G794 PolarHBondContact O-N 3.19Å
795A93.3Very high94.8Very high49 Ų4940.2 Ų40.241%0.40525%0.251SS..SBendtrans-85.5-15.1179.100000113.5K577 A790 I793K577-A795 HydrophobicContact CG-CB 3.95Å; A790-A795 PolarHBondContact O-N 2.73Å; I793-A795 VanDerWaalsContact C-N 3.28Å; I793-A795 HydrophobicContact CD1-CB 3.94Å; I793-A795 HydrophobicContact CG1-CB 3.75Å; I793-A795 PolarHBondContact O-N 2.89Å
796D93.3Very high94.5Very high57 Ų5745.8 Ų45.831%0.30528%0.277SS..SBendtrans-149165.8176.7-155.9-6.7000110.8R512 A790R512-D796 IonicContact CZ-OD1 3.15Å; R512-D796 IonicContact CZ-OD2 2.76Å; R512-D796 IonicContact NH1-OD1 2.68Å; R512-D796 IonicContact NH1-OD2 3.68Å; R512-D796 PolarHBondContact NH1-OD2 3.13Å; R512-D796 IonicContact NH2-OD1 2.66Å; R512-D796 PolarHBondContact NH2-OD1 3.25Å; R512-D796 IonicContact NH2-OD2 3.59Å; R512-D796 PolarHBondContact NH2-OD2 3.35Å; A790-D796 HydrophobicContact CB-CB 4.06Å; A790-D796 PolarHBondContact O-N 2.93Å
797G91Very high94.2Very high50 Ų5050.1 Ų50.152%0.51530%0.296SS..  trans-86.1151.1178.400000113.6
798T92.8Very high94Very high84 Ų8450.1 Ų50.152%0.51530%0.296SS..  trans-79.3164.5172.6-168.40000112.4M803T798-M803 VanDerWaalsContact OG1-CE 3.22Å; T798-M803 WeakPolarHBondContact OG1-CE 3.33Å
799Y92.8Very high93.8Very high51 Ų5151.4 Ų51.420%0.231%0.305CS..  trans-143.1153.6171.259.7-88.1000110.6P513 R787 D801 L802P513-Y799 HydrophobicContact CB-CD1 4.2Å; P513-Y799 HydrophobicContact CB-CD2 4.38Å; P513-Y799 HydrophobicContact CB-CE1 3.68Å; P513-Y799 HydrophobicContact CB-CE2 3.89Å; P513-Y799 HydrophobicContact CG-CD1 3.78Å; P513-Y799 HydrophobicContact CG-CE1 3.59Å; P513-Y799 HydrophobicContact CG-CG 4.32Å; R787-Y799 WeakPolarHBondContact CD-OH 3.3Å; R787-Y799 PolarHBondContact NH1-OH 2.94Å; Y799-D801 VanDerWaalsContact C-N 3.31Å; Y799-D801 HydrophobicContact CD2-CB 3.85Å; Y799-D801 HydrophobicContact CE2-CB 3.82Å; Y799-D801 PolarHBondContact O-N 3.35Å; Y799-L802 HydrophobicContact CD1-CB 4.1Å; Y799-L802 HydrophobicContact CD1-CD2 4.32Å; Y799-L802 HydrophobicContact CD2-CB 3.99Å; Y799-L802 HydrophobicContact CE1-CB 3.83Å; Y799-L802 HydrophobicContact CE1-CD1 4.41Å; Y799-L802 HydrophobicContact CE1-CD2 3.87Å; Y799-L802 HydrophobicContact CE1-CG 4.25Å; Y799-L802 HydrophobicContact CE2-CB 3.7Å; Y799-L802 VanDerWaalsContact CE2-N 3.34Å; Y799-L802 HydrophobicContact CG-CB 4.19Å; Y799-L802 WeakPolarHBondContact O-CB 3.41Å; Y799-L802 PolarHBondContact O-N 2.71Å
800P91.2Very high93.5Very high108 Ų10854.3 Ų54.370%0.70133%0.329SS*.Hα-helixtrans-55.4-41-170.2-28.335.5000114.5L802 M803 D804P800-L802 PolarHBondContact O-N 3.07Å; P800-M803 PolarHBondContact O-N 3.12Å; P800-M803 VanDerWaalsContact O-N 3.14Å; P800-D804 PolarHBondContact O-N 3.11Å; P800-D804 VanDerWaalsContact O-N 3.14Å
801D90.4Very high93.4Very high75 Ų7555.6 Ų55.640%0.40134%0.336SS..Hα-helixtrans-67.9-24-176.9-70.522.9000113.1Y799 M803 K807 Q808Y799-D801 VanDerWaalsContact C-N 3.31Å; Y799-D801 HydrophobicContact CD2-CB 3.85Å; Y799-D801 HydrophobicContact CE2-CB 3.82Å; Y799-D801 PolarHBondContact O-N 3.35Å; D801-M803 VanDerWaalsContact C-N 3.31Å; D801-K807 HydrophobicContact CB-CD 4.02Å; D801-K807 IonicContact OD1-NZ 3.71Å; D801-K807 PolarHBondContact OD1-NZ 2.93Å; D801-K807 IonicContact OD2-NZ 2.97Å; D801-K807 PolarHBondContact OD2-NZ 3.05Å; D801-Q808 PolarHBondContact O-NE2 3.04Å
802L91.8Very high93.3Very high1 Ų154.3 Ų54.31%0.00533%0.328CS..Hα-helixtrans-70-31.8175.5-167.257.8000111.7I784 R787 L788 V791 Y799 P800 Q808I784-L802 HydrophobicContact CG2-CD1 4.1Å; R787-L802 HydrophobicContact CB-CD1 4.38Å; R787-L802 HydrophobicContact CB-CD2 4.28Å; L788-L802 HydrophobicContact CD2-CD1 3.85Å; L788-L802 HydrophobicContact CD2-CD2 4.01Å; L788-L802 HydrophobicContact CD2-CG 3.7Å; L788-L802 HydrophobicContact CG-CD1 4.02Å; L788-L802 HydrophobicContact CG-CG 4.39Å; V791-L802 HydrophobicContact CG2-CD2 4.3Å; Y799-L802 HydrophobicContact CD1-CB 4.1Å; Y799-L802 HydrophobicContact CD1-CD2 4.32Å; Y799-L802 HydrophobicContact CD2-CB 3.99Å; Y799-L802 HydrophobicContact CE1-CB 3.83Å; Y799-L802 HydrophobicContact CE1-CD1 4.41Å; Y799-L802 HydrophobicContact CE1-CD2 3.87Å; Y799-L802 HydrophobicContact CE1-CG 4.25Å; Y799-L802 HydrophobicContact CE2-CB 3.7Å; Y799-L802 VanDerWaalsContact CE2-N 3.34Å; Y799-L802 HydrophobicContact CG-CB 4.19Å; Y799-L802 WeakPolarHBondContact O-CB 3.41Å; Y799-L802 PolarHBondContact O-N 2.71Å; P800-L802 PolarHBondContact O-N 3.07Å; L802-Q808 PolarHBondContact O-NE2 2.93Å
803M93Very high93.1Very high62 Ų6258.6 Ų58.631%0.30535%0.349SS..Hα-helixtrans-98.1-10.5-175-58.5-58.9154.600113.3F680 S683 L788 T798 P800 D801 K805F680-M803 HydrophobicContact CD1-CE 3.82Å; F680-M803 HydrophobicContact CD1-SD 3.8Å; F680-M803 HydrophobicContact CE1-CE 3.55Å; F680-M803 HydrophobicContact CE1-SD 4.03Å; F680-M803 HydrophobicContact CE2-CE 4.49Å; F680-M803 HydrophobicContact CG-CE 4.42Å; F680-M803 HydrophobicContact CZ-CE 3.93Å; S683-M803 PolarHBondContact OG-SD 2.86Å; L788-M803 HydrophobicContact CD2-CE 4.16Å; T798-M803 VanDerWaalsContact OG1-CE 3.22Å; T798-M803 WeakPolarHBondContact OG1-CE 3.33Å; P800-M803 PolarHBondContact O-N 3.12Å; P800-M803 VanDerWaalsContact O-N 3.14Å; D801-M803 VanDerWaalsContact C-N 3.31Å; M803-K805 PolarHBondContact O-N 3.21Å
804D93.8Very high93Very high56 Ų5658.3 Ų58.330%0.29935%0.348SS..  trans-77.6106.4177.9-176.3-24.7000111.5P800 H806 K807 Q808P800-D804 PolarHBondContact O-N 3.11Å; P800-D804 VanDerWaalsContact O-N 3.14Å; D804-H806 VanDerWaalsContact C-N 3.25Å; D804-H806 PolarHBondContact O-N 3.43Å; D804-H806 WeakPolarHBondContact OD1-CB 3.44Å; D804-H806 PolarHBondContact OD1-N 3.38Å; D804-K807 HydrophobicContact CB-CB 4.11Å; D804-K807 HydrophobicContact CB-CD 4.09Å; D804-K807 HydrophobicContact CB-CG 4.13Å; D804-K807 PolarHBondContact O-N 2.77Å; D804-K807 VanDerWaalsContact O-N 3.16Å; D804-K807 PolarHBondContact OD1-N 3.25Å; D804-Q808 WeakPolarHBondContact O-CG 3.35Å; D804-Q808 PolarHBondContact O-N 2.85Å
805K93.4Very high93Very high79 Ų7955.4 Ų55.434%0.34332%0.317SS..Hα-helixtrans-57-32.4-179.767-176.7178.4-175.50114.6M756 M803 S809M756-K805 HydrophobicContact CG-CB 4.43Å; M756-K805 HydrophobicContact SD-CD 4.12Å; M756-K805 HydrophobicContact SD-CG 4.19Å; M803-K805 PolarHBondContact O-N 3.21Å; K805-S809 VanDerWaalsContact O-CB 3.26Å; K805-S809 WeakPolarHBondContact O-CB 3.45Å; K805-S809 PolarHBondContact O-N 2.77Å
806H92.4Very high93.1Very high118 Ų11854.1 Ų54.155%0.54630%0.304SS..Hα-helixtrans-74.6-39.3-179.6-67.1-69000110.9D804 S809 A810D804-H806 VanDerWaalsContact C-N 3.25Å; D804-H806 PolarHBondContact O-N 3.43Å; D804-H806 WeakPolarHBondContact OD1-CB 3.44Å; D804-H806 PolarHBondContact OD1-N 3.38Å; H806-S809 PolarHBondContact O-N 3.23Å; H806-A810 WeakPolarHBondContact O-CB 3.38Å; H806-A810 PolarHBondContact O-N 2.71Å
807K92.1Very high93.1Very high91 Ų9156 Ų5640%0.39631%0.307SS..Hα-helixtrans-66.6-43.5173.6-68.8-176.2-176.7-172.30111.5D801 D804 S809 A810 L811D801-K807 HydrophobicContact CB-CD 4.02Å; D801-K807 IonicContact OD1-NZ 3.71Å; D801-K807 PolarHBondContact OD1-NZ 2.93Å; D801-K807 IonicContact OD2-NZ 2.97Å; D801-K807 PolarHBondContact OD2-NZ 3.05Å; D804-K807 HydrophobicContact CB-CB 4.11Å; D804-K807 HydrophobicContact CB-CD 4.09Å; D804-K807 HydrophobicContact CB-CG 4.13Å; D804-K807 PolarHBondContact O-N 2.77Å; D804-K807 VanDerWaalsContact O-N 3.16Å; D804-K807 PolarHBondContact OD1-N 3.25Å; K807-S809 VanDerWaalsContact C-N 3.34Å; K807-S809 PolarHBondContact O-N 2.94Å; K807-A810 PolarHBondContact O-N 3.39Å; K807-L811 WeakPolarHBondContact O-CB 3.31Å; K807-L811 PolarHBondContact O-N 2.84Å
808Q92.6Very high93.3Very high8 Ų854.8 Ų54.84%0.03729%0.287CS..Hα-helixtrans-62-41.3175.5-66.3-52.3-39.800111.8C753 D801 L802 D804 L811 C812C753-Q808 HydrophobicContact CB-CB 4.11Å; D801-Q808 PolarHBondContact O-NE2 3.04Å; L802-Q808 PolarHBondContact O-NE2 2.93Å; D804-Q808 WeakPolarHBondContact O-CG 3.35Å; D804-Q808 PolarHBondContact O-N 2.85Å; Q808-L811 WeakPolarHBondContact O-CB 3.4Å; Q808-L811 PolarHBondContact O-N 2.81Å; Q808-C812 PolarHBondContact O-N 2.99Å; Q808-C812 PolarHBondContact O-SG 2.88Å
809S93.4Very high93.2Very high27 Ų2752.2 Ų52.219%0.18927%0.269CS..Hα-helixtrans-63.5-45174.9-179.10000112.8K805 H806 K807 L811 C812 N813K805-S809 VanDerWaalsContact O-CB 3.26Å; K805-S809 WeakPolarHBondContact O-CB 3.45Å; K805-S809 PolarHBondContact O-N 2.77Å; H806-S809 PolarHBondContact O-N 3.23Å; K807-S809 VanDerWaalsContact C-N 3.34Å; K807-S809 PolarHBondContact O-N 2.94Å; S809-L811 VanDerWaalsContact C-N 3.28Å; S809-L811 PolarHBondContact O-N 2.95Å; S809-C812 PolarHBondContact O-N 2.76Å; S809-N813 PolarHBondContact O-N 2.98Å; S809-N813 PolarHBondContact O-ND2 3.04Å
810A92.8Very high93.1Very high61 Ų6152.7 Ų52.750%0.50427%0.272SS..Hα-helixtrans-61-39.6175.400000111.8H806 K807 N813 N814H806-A810 WeakPolarHBondContact O-CB 3.38Å; H806-A810 PolarHBondContact O-N 2.71Å; K807-A810 PolarHBondContact O-N 3.39Å; A810-N813 PolarHBondContact O-N 2.99Å; A810-N814 PolarHBondContact O-N 2.91Å; A810-N814 VanDerWaalsContact O-N 3.13Å
811L94.9Very high93.2Very high28 Ų2848.8 Ų48.815%0.14725%0.245CC..Hα-helixtrans-63.1-49.3174177.462.9000111.4Y780 I784 K807 Q808 S809 N813 N814 L815Y780-L811 HydrophobicContact CD1-CD1 3.93Å; Y780-L811 HydrophobicContact CD1-CD2 4.28Å; Y780-L811 HydrophobicContact CE1-CD1 3.73Å; Y780-L811 HydrophobicContact CE1-CD2 3.76Å; Y780-L811 HydrophobicContact CE1-CG 4.35Å; I784-L811 HydrophobicContact CD1-CD2 4.11Å; I784-L811 HydrophobicContact CG1-CD2 3.79Å; K807-L811 WeakPolarHBondContact O-CB 3.31Å; K807-L811 PolarHBondContact O-N 2.84Å; Q808-L811 WeakPolarHBondContact O-CB 3.4Å; Q808-L811 PolarHBondContact O-N 2.81Å; S809-L811 VanDerWaalsContact C-N 3.28Å; S809-L811 PolarHBondContact O-N 2.95Å; L811-N813 VanDerWaalsContact C-N 3.26Å; L811-N813 PolarHBondContact O-N 2.81Å; L811-N814 WeakPolarHBondContact O-CB 3.39Å; L811-N814 PolarHBondContact O-N 3.14Å; L811-L815 HydrophobicContact CD1-CD1 4.23Å; L811-L815 HydrophobicContact CD1-CD2 4.39Å; L811-L815 HydrophobicContact CD1-CG 4.1Å; L811-L815 HydrophobicContact CG-CD1 3.98Å; L811-L815 HydrophobicContact CG-CG 4.26Å; L811-L815 WeakPolarHBondContact O-CG 3.33Å; L811-L815 PolarHBondContact O-N 3.44Å
812C95.6Very high93.3Very high1 Ų145.7 Ų45.71%0.00723%0.229CC..Hα-helixtrans-55.6-41.8177-71.70000112Q808 S809 N814 L815 N816Q808-C812 PolarHBondContact O-N 2.99Å; Q808-C812 PolarHBondContact O-SG 2.88Å; S809-C812 PolarHBondContact O-N 2.76Å; C812-N814 PolarHBondContact O-N 2.94Å; C812-L815 PolarHBondContact O-N 3.16Å; C812-N816 WeakPolarHBondContact O-CB 3.33Å; C812-N816 PolarHBondContact O-N 3.11Å; C812-N816 PolarHBondContact O-ND2 2.8Å; C812-N816 VanDerWaalsContact O-ND2 3.12Å
813N93.3Very high93.1Very high101 Ų10148.6 Ų48.654%0.5424%0.243SC..Hα-helixtrans-61.5-43.1175.7-70.9-27.9000112.4S809 A810 L811 Y817S809-N813 PolarHBondContact O-N 2.98Å; S809-N813 PolarHBondContact O-ND2 3.04Å; A810-N813 PolarHBondContact O-N 2.99Å; L811-N813 VanDerWaalsContact C-N 3.26Å; L811-N813 PolarHBondContact O-N 2.81Å; N813-Y817 WeakPolarHBondContact O-CB 3.49Å; N813-Y817 PolarHBondContact O-N 3.47Å
814N94.4Very high93Very high51 Ų5149 Ų4927%0.27324%0.241SC..Hα-helixtrans-63-45174.4-17651.8000111.7A522 A810 L811 C812 N816 Y817 R818A522-N814 PolarHBondContact O-ND2 2.7Å; A810-N814 PolarHBondContact O-N 2.91Å; A810-N814 VanDerWaalsContact O-N 3.13Å; L811-N814 WeakPolarHBondContact O-CB 3.39Å; L811-N814 PolarHBondContact O-N 3.14Å; C812-N814 PolarHBondContact O-N 2.94Å; N814-N816 PolarHBondContact O-N 2.88Å; N814-Y817 WeakPolarHBondContact O-CB 3.45Å; N814-Y817 PolarHBondContact O-N 3.48Å; N814-R818 WeakPolarHBondContact O-CG 3.43Å; N814-R818 PolarHBondContact O-N 2.71Å
815L94.9Very high92.9Very high5 Ų546.3 Ų46.33%0.02623%0.227CC..Hα-helixtrans-64.1-39.9179.2-64.2177.7000112.2L685 Y751 Y780 A781 L811 C812 H819L685-L815 HydrophobicContact CD1-CD1 4.36Å; Y751-L815 HydrophobicContact CD2-CB 4.12Å; Y780-L815 HydrophobicContact CD1-CD1 4.43Å; Y780-L815 HydrophobicContact CD1-CD2 4.1Å; A781-L815 HydrophobicContact CB-CD1 4.02Å; L811-L815 HydrophobicContact CD1-CD1 4.23Å; L811-L815 HydrophobicContact CD1-CD2 4.39Å; L811-L815 HydrophobicContact CD1-CG 4.1Å; L811-L815 HydrophobicContact CG-CD1 3.98Å; L811-L815 HydrophobicContact CG-CG 4.26Å; L811-L815 WeakPolarHBondContact O-CG 3.33Å; L811-L815 PolarHBondContact O-N 3.44Å; C812-L815 PolarHBondContact O-N 3.16Å; L815-H819 WeakPolarHBondContact O-CB 3.07Å; L815-H819 PolarHBondContact O-N 2.98Å
816N95.1Very high92.7Very high22 Ų2247 Ų4712%0.11823%0.231CC..Hα-helixtrans-62.5-43.4173.9-73-31.3000111.8V750 Y751 C812 N814 K820V750-N816 WeakPolarHBondContact CA-OD1 3.31Å; Y751-N816 WeakPolarHBondContact CD2-OD1 3.49Å; Y751-N816 PolarHBondContact N-OD1 3.38Å; Y751-N816 PolarHBondContact O-ND2 3.21Å; C812-N816 WeakPolarHBondContact O-CB 3.33Å; C812-N816 PolarHBondContact O-N 3.11Å; C812-N816 PolarHBondContact O-ND2 2.8Å; C812-N816 VanDerWaalsContact O-ND2 3.12Å; N814-N816 PolarHBondContact O-N 2.88Å; N816-K820 WeakPolarHBondContact O-CB 3.49Å; N816-K820 PolarHBondContact O-N 2.96Å
817Y93.4Very high92.4Very high98 Ų9849.2 Ų49.238%0.38424%0.235SC..Hα-helixtrans-62.2-52.6176175.4-102.8000111.5N813 N814 H819 K820 M821N813-Y817 WeakPolarHBondContact O-CB 3.49Å; N813-Y817 PolarHBondContact O-N 3.47Å; N814-Y817 WeakPolarHBondContact O-CB 3.45Å; N814-Y817 PolarHBondContact O-N 3.48Å; Y817-H819 PolarHBondContact O-N 2.78Å; Y817-K820 WeakPolarHBondContact O-CB 3.29Å; Y817-K820 PolarHBondContact O-N 3.22Å; Y817-M821 HydrophobicContact CD1-CG 4.42Å; Y817-M821 HydrophobicContact CD2-CE 4.33Å; Y817-M821 HydrophobicContact CD2-CG 4.37Å; Y817-M821 HydrophobicContact CE1-CG 4Å; Y817-M821 HydrophobicContact CE2-CE 3.99Å; Y817-M821 HydrophobicContact CE2-CG 3.94Å; Y817-M821 HydrophobicContact CE2-SD 4.16Å; Y817-M821 WeakPolarHBondContact O-CG 3.29Å; Y817-M821 PolarHBondContact O-N 3.27Å
818R94.6Very high92.2Very high23 Ų2347 Ų479%0.08723%0.231CC..Hα-helixtrans-59.7-42.4178.9-70.5-63.4-169.3-147.2-5.3112.4D436 N523 N814 K820 M821 S822D436-R818 PolarHBondContact O-NH1 2.95Å; D436-R818 IonicContact OD1-NH1 2.65Å; D436-R818 IonicContact OD2-CZ 3.84Å; D436-R818 IonicContact OD2-NH1 3.43Å; D436-R818 PolarHBondContact OD2-NH1 2.79Å; D436-R818 IonicContact OD2-NH2 3.14Å; N523-R818 PolarHBondContact O-NE 2.76Å; N523-R818 PolarHBondContact O-NH2 3.28Å; N523-R818 PolarHBondContact OD1-NH2 3.29Å; N523-R818 VanDerWaalsContact OD1-NH2 3.09Å; N814-R818 WeakPolarHBondContact O-CG 3.43Å; N814-R818 PolarHBondContact O-N 2.71Å; R818-K820 PolarHBondContact O-N 2.68Å; R818-M821 PolarHBondContact O-N 2.91Å; R818-S822 WeakPolarHBondContact O-CB 3.43Å; R818-S822 PolarHBondContact O-N 2.98Å
819H92.1Very high92.1Very high30 Ų3046.7 Ų46.714%0.13923%0.23CC..Hα-helixtrans-64.2-39.5176.4-177.657.2000112.7R687 L815 Y817 S822 Q823R687-H819 PolarHBondContact NH2-NE2 2.84Å; L815-H819 WeakPolarHBondContact O-CB 3.07Å; L815-H819 PolarHBondContact O-N 2.98Å; Y817-H819 PolarHBondContact O-N 2.78Å; H819-S822 PolarHBondContact O-OG 2.93Å; H819-Q823 PolarHBondContact NE2-NE2 3.07Å; H819-Q823 WeakPolarHBondContact O-CG 3.43Å; H819-Q823 PolarHBondContact O-N 3.47Å
820K90.5Very high91.7Very high62 Ų6246.9 Ų46.927%0.2723%0.23SC..Hα-helixtrans-64.8-44.7175.7-173.5178.3-180169.90111.3N816 Y817 R818 Q823 Y824N816-K820 WeakPolarHBondContact O-CB 3.49Å; N816-K820 PolarHBondContact O-N 2.96Å; Y817-K820 WeakPolarHBondContact O-CB 3.29Å; Y817-K820 PolarHBondContact O-N 3.22Å; R818-K820 PolarHBondContact O-N 2.68Å; K820-Q823 PolarHBondContact O-N 3.5Å; K820-Y824 HydrophobicContact CD-CE2 4.26Å; K820-Y824 VanDerWaalsContact CE-CZ 3.49Å; K820-Y824 WeakPolarHBondContact CE-OH 3.35Å; K820-Y824 HydrophobicContact CG-CD2 4.39Å; K820-Y824 HydrophobicContact CG-CE2 3.89Å; K820-Y824 PolarHBondContact O-N 3.19Å; K820-Y824 VanDerWaalsContact O-N 3.13Å
821M92.8Very high91.4Very high25 Ų2546.1 Ų46.112%0.12322%0.223CC..Hα-helixtrans-64.4-40.7178.3-72.1-46.5104.200112.1H435 Y817 R818 Q823 Y824 A825H435-M821 HydrophobicContact CB-CB 4.49Å; H435-M821 WeakPolarHBondContact O-CB 3.48Å; H435-M821 WeakPolarHBondContact O-CG 3.41Å; Y817-M821 HydrophobicContact CD1-CG 4.42Å; Y817-M821 HydrophobicContact CD2-CE 4.33Å; Y817-M821 HydrophobicContact CD2-CG 4.37Å; Y817-M821 HydrophobicContact CE1-CG 4Å; Y817-M821 HydrophobicContact CE2-CE 3.99Å; Y817-M821 HydrophobicContact CE2-CG 3.94Å; Y817-M821 HydrophobicContact CE2-SD 4.16Å; Y817-M821 WeakPolarHBondContact O-CG 3.29Å; Y817-M821 PolarHBondContact O-N 3.27Å; R818-M821 PolarHBondContact O-N 2.91Å; M821-Q823 VanDerWaalsContact C-N 3.33Å; M821-Q823 PolarHBondContact O-N 2.9Å; M821-Y824 HydrophobicContact CE-CD2 3.92Å; M821-Y824 HydrophobicContact CE-CE2 4.07Å; M821-Y824 PolarHBondContact O-N 2.9Å; M821-Y824 HydrophobicContact SD-CD2 4.43Å; M821-A825 PolarHBondContact O-N 3.26Å
822S92.6Very high91Very high10 Ų1046 Ų467%0.0722%0.221CC..Hα-helixtrans-61.8-40.6176.873.30000112.2R818 H819 A825 Q826R818-S822 WeakPolarHBondContact O-CB 3.43Å; R818-S822 PolarHBondContact O-N 2.98Å; H819-S822 PolarHBondContact O-OG 2.93Å; S822-A825 PolarHBondContact O-N 3.26Å; S822-Q826 WeakPolarHBondContact O-CB 3.44Å; S822-Q826 PolarHBondContact O-N 3.43Å
823Q88.4Confident90.6Very high62 Ų6245.9 Ų45.929%0.2922%0.221SC..Hα-helixtrans-64.9-38.5175.6-73.3-176.1-14.500112.3H819 K820 M821 R827H819-Q823 PolarHBondContact NE2-NE2 3.07Å; H819-Q823 WeakPolarHBondContact O-CG 3.43Å; H819-Q823 PolarHBondContact O-N 3.47Å; K820-Q823 PolarHBondContact O-N 3.5Å; M821-Q823 VanDerWaalsContact C-N 3.33Å; M821-Q823 PolarHBondContact O-N 2.9Å; Q823-R827 VanDerWaalsContact O-CG 3.29Å; Q823-R827 WeakPolarHBondContact O-CG 3.26Å; Q823-R827 PolarHBondContact O-N 3.01Å
824Y89.9Confident90.1Very high70 Ų7041.4 Ų41.428%0.27520%0.197SC..Hα-helixtrans-67.5-45.1175.7-68-16.9000111.8H435 K820 M821 Q826 R827 S828H435-Y824 WeakPolarHBondContact CD2-CB 3.46Å; K820-Y824 HydrophobicContact CD-CE2 4.26Å; K820-Y824 VanDerWaalsContact CE-CZ 3.49Å; K820-Y824 WeakPolarHBondContact CE-OH 3.35Å; K820-Y824 HydrophobicContact CG-CD2 4.39Å; K820-Y824 HydrophobicContact CG-CE2 3.89Å; K820-Y824 PolarHBondContact O-N 3.19Å; K820-Y824 VanDerWaalsContact O-N 3.13Å; M821-Y824 HydrophobicContact CE-CD2 3.92Å; M821-Y824 HydrophobicContact CE-CE2 4.07Å; M821-Y824 PolarHBondContact O-N 2.9Å; M821-Y824 HydrophobicContact SD-CD2 4.43Å; Y824-Q826 VanDerWaalsContact C-N 3.34Å; Y824-Q826 PolarHBondContact O-N 3.06Å; Y824-R827 PolarHBondContact O-N 3.33Å; Y824-S828 WeakPolarHBondContact O-CB 3.35Å; Y824-S828 PolarHBondContact O-N 3.41Å; Y824-S828 PolarHBondContact O-OG 3.41Å
825A91.8Very high89.7Confident0 Ų040.7 Ų40.70%019%0.192CC..Hα-helixtrans-58.2-44.8174.900000112L431 H435 V437 V528 L530 M821 S822 R827 S828 S829L431-A825 HydrophobicContact CD1-CB 4.12Å; H435-A825 HydrophobicContact CB-CB 4.13Å; V437-A825 HydrophobicContact CG2-CB 4.11Å; V528-A825 HydrophobicContact CG1-CB 4.25Å; L530-A825 HydrophobicContact CD2-CB 4.42Å; M821-A825 PolarHBondContact O-N 3.26Å; S822-A825 PolarHBondContact O-N 3.26Å; A825-R827 PolarHBondContact O-N 3.12Å; A825-S828 PolarHBondContact O-N 3.35Å; A825-S829 WeakPolarHBondContact O-CB 3.02Å; A825-S829 PolarHBondContact O-N 3.39Å
826Q88.4Confident89.2Confident94 Ų9442.1 Ų42.144%0.43920%0.2SC..Hα-helixtrans-60.6-46.1176.4-178.2177.63.500111.9Y529 S822 Y824 S829 V830Y529-Q826 WeakPolarHBondContact O-CB 3.39Å; Y529-Q826 WeakPolarHBondContact O-CG 3.35Å; S822-Q826 WeakPolarHBondContact O-CB 3.44Å; S822-Q826 PolarHBondContact O-N 3.43Å; Y824-Q826 VanDerWaalsContact C-N 3.34Å; Y824-Q826 PolarHBondContact O-N 3.06Å; Q826-S829 PolarHBondContact O-N 3.36Å; Q826-V830 WeakPolarHBondContact O-CG2 3.36Å; Q826-V830 PolarHBondContact O-N 2.97Å
827R86Confident88.7Confident164 Ų16441.2 Ų41.262%0.61920%0.195SC*.Hα-helixtrans-64.1-40.7177.5-71.9174.2-172.3-1793.4112.1Q823 Y824 A825 V830 A831Q823-R827 VanDerWaalsContact O-CG 3.29Å; Q823-R827 WeakPolarHBondContact O-CG 3.26Å; Q823-R827 PolarHBondContact O-N 3.01Å; Y824-R827 PolarHBondContact O-N 3.33Å; A825-R827 PolarHBondContact O-N 3.12Å; R827-V830 PolarHBondContact O-N 3.3Å; R827-A831 WeakPolarHBondContact O-CB 3.44Å; R827-A831 PolarHBondContact O-N 2.96Å
828S88.4Confident88.3Confident46 Ų4636.7 Ų36.732%0.32218%0.177SC..Hα-helixtrans-64.6-40.2175.3-720000112H435 Y824 A825 A831 F832H435-S828 PolarHBondContact CE1-OG 3.17Å; Y824-S828 WeakPolarHBondContact O-CB 3.35Å; Y824-S828 PolarHBondContact O-N 3.41Å; Y824-S828 PolarHBondContact O-OG 3.41Å; A825-S828 PolarHBondContact O-N 3.35Å; S828-A831 PolarHBondContact O-N 2.92Å; S828-F832 WeakPolarHBondContact O-CB 3.44Å; S828-F832 PolarHBondContact O-N 3.08Å
829S90.3Very high87.8Confident0 Ų041.7 Ų41.70%020%0.2CC..Hα-helixtrans-63.2-43.7174.8179.10000111.8C531 A825 Q826 A831 F832 H833C531-S829 PolarHBondContact N-OG 3.4Å; A825-S829 WeakPolarHBondContact O-CB 3.02Å; A825-S829 PolarHBondContact O-N 3.39Å; Q826-S829 PolarHBondContact O-N 3.36Å; S829-A831 VanDerWaalsContact C-N 3.34Å; S829-A831 PolarHBondContact O-N 3.28Å; S829-F832 PolarHBondContact O-N 2.74Å; S829-H833 PolarHBondContact O-N 3.06Å; S829-H833 PolarHBondContact O-ND1 3.1Å
830V86.4Confident87.2Confident32 Ų3245.6 Ų45.619%0.19423%0.225CC..Hα-helixtrans-61-43.4173.6169.20000111.2C531 V635 F637 Q826 R827 H833 T834C531-V830 VanDerWaalsContact SG-CG2 3.59Å; V635-V830 HydrophobicContact CG2-CG1 3.55Å; F637-V830 HydrophobicContact CE2-CB 4.41Å; F637-V830 HydrophobicContact CE2-CG1 4.05Å; Q826-V830 WeakPolarHBondContact O-CG2 3.36Å; Q826-V830 PolarHBondContact O-N 2.97Å; R827-V830 PolarHBondContact O-N 3.3Å; V830-H833 PolarHBondContact O-N 2.75Å; V830-T834 WeakPolarHBondContact O-CB 3.18Å; V830-T834 PolarHBondContact O-N 3.34Å; V830-T834 PolarHBondContact O-OG1 3.2Å
831A84.8Confident86.7Confident45 Ų4548.4 Ų48.437%0.37224%0.235SC..Hα-helixtrans-62.3-45.1177.900000111.6R827 S828 S829 T834 Q835R827-A831 WeakPolarHBondContact O-CB 3.44Å; R827-A831 PolarHBondContact O-N 2.96Å; S828-A831 PolarHBondContact O-N 2.92Å; S829-A831 VanDerWaalsContact C-N 3.34Å; S829-A831 PolarHBondContact O-N 3.28Å; A831-T834 WeakPolarHBondContact O-CB 3.45Å; A831-T834 PolarHBondContact O-N 3.2Å; A831-Q835 WeakPolarHBondContact O-CG 3.43Å; A831-Q835 PolarHBondContact O-N 2.76Å
832F86.9Confident86Confident24 Ų2448.9 Ų48.911%0.10525%0.245CC..Hα-helixtrans-61.8-47.5176.7173-112.5000112.4K424 E427 S828 S829 T834 Q835 L836K424-F832 HydrophobicContact CG-CE1 4.22Å; E427-F832 HydrophobicContact CB-CD2 4.21Å; E427-F832 HydrophobicContact CB-CE1 4.1Å; E427-F832 HydrophobicContact CB-CE2 3.76Å; E427-F832 HydrophobicContact CB-CZ 3.7Å; E427-F832 HydrophobicContact CG-CD2 4.42Å; E427-F832 HydrophobicContact CG-CE2 3.71Å; E427-F832 HydrophobicContact CG-CZ 3.91Å; S828-F832 WeakPolarHBondContact O-CB 3.44Å; S828-F832 PolarHBondContact O-N 3.08Å; S829-F832 PolarHBondContact O-N 2.74Å; F832-T834 VanDerWaalsContact C-N 3.25Å; F832-T834 PolarHBondContact O-N 3.01Å; F832-Q835 WeakPolarHBondContact O-CB 3.3Å; F832-Q835 PolarHBondContact O-N 3.37Å; F832-L836 PolarHBondContact O-N 3.07Å
833H86.8Confident85.4Confident0 Ų053.2 Ų53.20%027%0.267CS..Hα-helixtrans-65.6-31.6176.9-74.576000112K424 E428 C531 F637 S829 V830 Q835 L836 F837K424-H833 WeakPolarHBondContact CE-NE2 3.22Å; E428-H833 IonicContact OE1-CE1 3.85Å; E428-H833 PolarHBondContact OE1-CE1 3.39Å; E428-H833 IonicContact OE1-NE2 2.87Å; C531-H833 HydrophobicContact CB-CB 4.32Å; F637-H833 HydrophobicContact CD1-CB 4.47Å; F637-H833 HydrophobicContact CD2-CB 4.02Å; F637-H833 HydrophobicContact CE1-CB 4.09Å; F637-H833 HydrophobicContact CE2-CB 3.64Å; F637-H833 HydrophobicContact CG-CB 4.41Å; F637-H833 HydrophobicContact CZ-CB 3.67Å; S829-H833 PolarHBondContact O-N 3.06Å; S829-H833 PolarHBondContact O-ND1 3.1Å; V830-H833 PolarHBondContact O-N 2.75Å; H833-Q835 VanDerWaalsContact C-N 3.35Å; H833-L836 PolarHBondContact O-N 2.87Å; H833-F837 WeakPolarHBondContact O-CB 3.17Å; H833-F837 PolarHBondContact O-N 2.88Å
834T84.4Confident85.2Confident6 Ų652.4 Ų52.44%0.03726%0.264CS..Hα-helixtrans-63.6-41.7171.5-52.20000111.3F637 V830 A831 F832 F837 F838 L867 I921F637-T834 WeakPolarHBondContact CZ-OG1 3.46Å; V830-T834 WeakPolarHBondContact O-CB 3.18Å; V830-T834 PolarHBondContact O-N 3.34Å; V830-T834 PolarHBondContact O-OG1 3.2Å; A831-T834 WeakPolarHBondContact O-CB 3.45Å; A831-T834 PolarHBondContact O-N 3.2Å; F832-T834 VanDerWaalsContact C-N 3.25Å; F832-T834 PolarHBondContact O-N 3.01Å; T834-F837 WeakPolarHBondContact O-CB 3.26Å; T834-F837 PolarHBondContact O-N 3.19Å; T834-F838 HydrophobicContact CG2-CD2 3.67Å; T834-F838 HydrophobicContact CG2-CE2 3.44Å; T834-F838 VanDerWaalsContact CG2-CE2 3.44Å; T834-F838 WeakPolarHBondContact O-CD2 3.09Å; T834-F838 PolarHBondContact O-N 3.22Å; T834-L867 HydrophobicContact CG2-CD1 4.11Å; T834-I921 HydrophobicContact CG2-CD1 3.83Å
835Q85.3Confident85.1Confident36 Ų3651.6 Ų51.617%0.16827%0.265CS..Hα-helixtrans-62.5-44.3176.1-67.9166.70.500111.4A831 F832 H833 F837 F838 K839 L911 Q919 I921A831-Q835 WeakPolarHBondContact O-CG 3.43Å; A831-Q835 PolarHBondContact O-N 2.76Å; F832-Q835 WeakPolarHBondContact O-CB 3.3Å; F832-Q835 PolarHBondContact O-N 3.37Å; H833-Q835 VanDerWaalsContact C-N 3.35Å; Q835-F837 VanDerWaalsContact C-N 3.32Å; Q835-F837 PolarHBondContact O-N 3.15Å; Q835-F838 PolarHBondContact O-N 2.9Å; Q835-K839 WeakPolarHBondContact O-CB 3.3Å; Q835-K839 PolarHBondContact O-N 2.82Å; Q835-L911 HydrophobicContact CB-CD1 3.96Å; Q835-L911 HydrophobicContact CG-CD1 3.99Å; Q835-Q919 PolarHBondContact NE2-O 2.78Å; Q835-I921 HydrophobicContact CG-CD1 4.47Å; Q835-I921 HydrophobicContact CG-CG1 4.26Å
836L84.4Confident85Confident36 Ų3653.8 Ų53.819%0.18828%0.275CS..Hα-helixtrans-60.2-42.5176.2-173.260.7000111.7P646 F832 H833 F838 K839 T840P646-L836 HydrophobicContact CG-CB 4.43Å; P646-L836 HydrophobicContact CG-CD2 4.4Å; P646-L836 HydrophobicContact CG-CG 4.42Å; F832-L836 PolarHBondContact O-N 3.07Å; H833-L836 PolarHBondContact O-N 2.87Å; L836-F838 PolarHBondContact O-N 3.45Å; L836-K839 WeakPolarHBondContact O-CB 3.24Å; L836-K839 PolarHBondContact O-N 3.19Å; L836-T840 PolarHBondContact O-N 3.25Å; L836-T840 PolarHBondContact O-OG1 3.35Å
837F84.9Confident85.1Confident3 Ų355.2 Ų55.21%0.01328%0.28CS..Hα-helixtrans-59.3-46.8175.5176.3-96.1000112.7F637 P646 H833 T834 Q835 T840 R841 F865F637-F837 HydrophobicContact CE1-CB 4.49Å; P646-F837 HydrophobicContact CB-CB 4.42Å; P646-F837 HydrophobicContact CB-CD2 4.46Å; P646-F837 HydrophobicContact CG-CB 3.98Å; H833-F837 WeakPolarHBondContact O-CB 3.17Å; H833-F837 PolarHBondContact O-N 2.88Å; T834-F837 WeakPolarHBondContact O-CB 3.26Å; T834-F837 PolarHBondContact O-N 3.19Å; Q835-F837 VanDerWaalsContact C-N 3.32Å; Q835-F837 PolarHBondContact O-N 3.15Å; F837-T840 PolarHBondContact O-N 2.85Å; F837-R841 VanDerWaalsContact CE2-CZ 3.42Å; F837-R841 VanDerWaalsContact CE2-NE 3.27Å; F837-R841 VanDerWaalsContact CZ-CD 3.48Å; F837-R841 VanDerWaalsContact CZ-NE 3.31Å; F837-R841 PolarHBondContact O-N 3.46Å; F837-R841 VanDerWaalsContact O-N 3.13Å; F837-F865 HydrophobicContact CE1-CE1 4.15Å; F837-F865 HydrophobicContact CZ-CE1 4.47Å
838F84.6Confident85.3Confident3 Ų347.4 Ų47.41%0.01325%0.25CS..Hα-helixtrans-72.1-29.5177.9-76.4-69.2000113T834 Q835 L836 T840 G842 L844 F865 L867 I909 I921T834-F838 HydrophobicContact CG2-CD2 3.67Å; T834-F838 HydrophobicContact CG2-CE2 3.44Å; T834-F838 VanDerWaalsContact CG2-CE2 3.44Å; T834-F838 WeakPolarHBondContact O-CD2 3.09Å; T834-F838 PolarHBondContact O-N 3.22Å; Q835-F838 PolarHBondContact O-N 2.9Å; L836-F838 PolarHBondContact O-N 3.45Å; F838-T840 VanDerWaalsContact C-N 3.3Å; F838-T840 PolarHBondContact O-N 3.41Å; F838-G842 PolarHBondContact O-N 3.17Å; F838-L844 HydrophobicContact CD1-CD1 4.02Å; F838-L844 HydrophobicContact CE1-CB 4.5Å; F838-L844 HydrophobicContact CE1-CD1 3.75Å; F838-F865 HydrophobicContact CE1-CD2 4.42Å; F838-F865 HydrophobicContact CE1-CE2 4.15Å; F838-F865 AromaticContact CZ-CD2 3.83Å; F838-F865 HydrophobicContact CZ-CD2 3.83Å; F838-F865 HydrophobicContact CZ-CE2 4.02Å; F838-F865 HydrophobicContact CZ-CG 4.19Å; F838-L867 HydrophobicContact CE2-CD2 3.99Å; F838-L867 HydrophobicContact CZ-CD2 4.3Å; F838-I909 HydrophobicContact CD1-CG2 4.03Å; F838-I909 HydrophobicContact CD2-CG2 4.48Å; F838-I909 HydrophobicContact CE1-CB 4.22Å; F838-I909 HydrophobicContact CE1-CD1 3.86Å; F838-I909 HydrophobicContact CE1-CG2 3.82Å; F838-I909 HydrophobicContact CE2-CG2 4.31Å; F838-I909 HydrophobicContact CG-CG2 4.38Å; F838-I909 HydrophobicContact CZ-CD1 3.86Å; F838-I909 HydrophobicContact CZ-CG2 3.99Å; F838-I921 HydrophobicContact CD2-CD1 3.97Å; F838-I921 HydrophobicContact CE2-CD1 4.22Å
839K83Confident85.5Confident128 Ų12846.5 Ų46.556%0.55724%0.24SC*.Hα-helixtrans-59.9-41.9173.2-167.7175.5179.9178.60111.5Q835 L836 L911Q835-K839 WeakPolarHBondContact O-CB 3.3Å; Q835-K839 PolarHBondContact O-N 2.82Å; L836-K839 WeakPolarHBondContact O-CB 3.24Å; L836-K839 PolarHBondContact O-N 3.19Å; K839-L911 HydrophobicContact CB-CD2 3.94Å; K839-L911 HydrophobicContact CD-CD2 4.33Å; K839-L911 HydrophobicContact CG-CD2 4.11Å
840T80.9Confident85.5Confident111 Ų11146.5 Ų46.568%0.68124%0.24SC*.Hα-helixtrans-79-35.2-178.6-54.60000113.1L836 F837 F838L836-T840 PolarHBondContact O-N 3.25Å; L836-T840 PolarHBondContact O-OG1 3.35Å; F837-T840 PolarHBondContact O-N 2.85Å; F838-T840 VanDerWaalsContact C-N 3.3Å; F838-T840 PolarHBondContact O-N 3.41Å
841R79.6Confident85.4Confident122 Ų12245 Ų4546%0.4623%0.231SC..Hα-helixtrans-88.3-15.3-178.6-70-164178.8-1687.1114.5I647 D648 F837 L844I647-R841 PolarHBondContact O-NH2 3.43Å; D648-R841 IonicContact OD1-NH2 3.13Å; F837-R841 VanDerWaalsContact CE2-CZ 3.42Å; F837-R841 VanDerWaalsContact CE2-NE 3.27Å; F837-R841 VanDerWaalsContact CZ-CD 3.48Å; F837-R841 VanDerWaalsContact CZ-NE 3.31Å; F837-R841 PolarHBondContact O-N 3.46Å; F837-R841 VanDerWaalsContact O-N 3.13Å; R841-L844 HydrophobicContact CB-CD1 4.33Å
842G78.8Confident85.4Confident34 Ų3443.8 Ų43.835%0.35122%0.218SC..  trans74.4-151.6-179.200000113.4F838F838-G842 PolarHBondContact O-N 3.17Å
843I80.1Confident85.2Confident102 Ų10243 Ų4352%0.52322%0.215SC..  trans-76.6128.2-173.6-60.3176000110.6T908 P938I843-T908 HydrophobicContact CG2-CG2 3.17Å; I843-P938 HydrophobicContact CG2-CG 4.13Å
844L83.8Confident85Confident45 Ų4548.5 Ų48.524%0.23624%0.235CC..EExtended strand (participates in β ladder)trans-125.5139.5179.5-69.1172.1000111.3F838 R841 F865 T908 I909F838-L844 HydrophobicContact CD1-CD1 4.02Å; F838-L844 HydrophobicContact CE1-CB 4.5Å; F838-L844 HydrophobicContact CE1-CD1 3.75Å; R841-L844 HydrophobicContact CB-CD1 4.33Å; L844-F865 HydrophobicContact CD1-CZ 4.15Å; L844-T908 WeakPolarHBondContact O-CA 3.41Å; L844-I909 PolarHBondContact N-O 3.42Å; L844-I909 PolarHBondContact O-N 2.99Å
845N87.4Confident84.7Confident53 Ų5351 Ų5128%0.28325%0.246SC..EExtended strand (participates in β ladder)trans-107.4120.9176.5-61.4-33.8000109.2V907 T908 I926N845-V907 WeakPolarHBondContact CA-O 3.42Å; N845-T908 WeakPolarHBondContact OD1-CB 3.34Å; N845-T908 WeakPolarHBondContact OD1-CG2 3.42Å; N845-T908 PolarHBondContact OD1-OG1 3.39Å; N845-I926 HydrophobicContact CB-CD1 3.78Å; N845-I926 VanDerWaalsContact CG-CD1 3.45Å; N845-I926 VanDerWaalsContact OD1-CD1 3.24Å; N845-I926 WeakPolarHBondContact OD1-CD1 3.38Å
846E89.8Confident84.4Confident45 Ų4550.7 Ų50.721%0.2125%0.245CC..EExtended strand (participates in β ladder)trans-138.1158.8-179-76.4-63.6173.600112.4I862 K864 F865 V907E846-I862 HydrophobicContact CB-CG2 3.95Å; E846-K864 WeakPolarHBondContact OE1-CD 3.39Å; E846-K864 IonicContact OE1-NZ 3.76Å; E846-K864 PolarHBondContact OE1-NZ 3.04Å; E846-F865 HydrophobicContact CG-CD2 4.48Å; E846-F865 HydrophobicContact CG-CE2 3.69Å; E846-F865 HydrophobicContact CG-CZ 4.36Å; E846-V907 PolarHBondContact N-O 3.15Å; E846-V907 PolarHBondContact O-N 3.14Å
847K90.4Very high84.4Confident125 Ų12549.1 Ų49.154%0.54324%0.237SC..EExtended strand (participates in β ladder)trans-84.8137.5173.8-66.7179178.1-1740109.8V905K847-V905 WeakPolarHBondContact CA-O 3.32Å
848G91.1Very high84.5Confident0 Ų049 Ų490%024%0.237CC..EExtended strand (participates in β ladder)trans-138.4174.1176.700000112.4L861 Q904 V905G848-L861 CarbonylContact C-O 3.58Å; G848-L861 WeakPolarHBondContact CA-O 3.47Å; G848-Q904 WeakPolarHBondContact O-CA 3.47Å; G848-V905 PolarHBondContact N-O 2.9Å; G848-V905 PolarHBondContact O-N 2.95Å
849F91.3Very high84.7Confident26 Ų2650.3 Ų50.311%0.11424%0.244CC..EExtended strand (participates in β ladder)trans-121.2135.3178.5-63.5-78.9000110.2F731 Y733 L737 L851 V860 L861 P863 D903 Q904F731-F849 HydrophobicContact CD2-CE1 4.46Å; F731-F849 AromaticContact CE2-CD1 3.95Å; F731-F849 HydrophobicContact CE2-CD1 3.95Å; F731-F849 AromaticContact CE2-CE1 3.37Å; F731-F849 HydrophobicContact CE2-CE1 3.37Å; F731-F849 AromaticContact CE2-CZ 3.75Å; F731-F849 HydrophobicContact CE2-CZ 3.75Å; F731-F849 AromaticContact CZ-CD1 3.56Å; F731-F849 HydrophobicContact CZ-CD1 3.56Å; F731-F849 AromaticContact CZ-CE1 3.44Å; F731-F849 HydrophobicContact CZ-CE1 3.44Å; F731-F849 VanDerWaalsContact CZ-CE1 3.44Å; F731-F849 HydrophobicContact CZ-CG 4.42Å; F731-F849 HydrophobicContact CZ-CZ 4.23Å; Y733-F849 HydrophobicContact CD1-CD2 4.02Å; Y733-F849 AromaticContact CD1-CE2 3.79Å; Y733-F849 HydrophobicContact CD1-CE2 3.79Å; Y733-F849 HydrophobicContact CE1-CD2 4.42Å; Y733-F849 HydrophobicContact CE1-CE2 4.47Å; Y733-F849 HydrophobicContact CG-CE2 4.43Å; L737-F849 HydrophobicContact CD1-CB 3.89Å; L737-F849 HydrophobicContact CD1-CD1 4.17Å; L737-F849 HydrophobicContact CD1-CD2 4.21Å; L737-F849 HydrophobicContact CD1-CG 3.83Å; L737-F849 HydrophobicContact CD2-CB 4.23Å; L737-F849 HydrophobicContact CD2-CD2 4.46Å; F849-L851 PolarHBondContact O-N 3.4Å; F849-V860 WeakPolarHBondContact O-CA 3.48Å; F849-L861 PolarHBondContact N-O 3.31Å; F849-L861 PolarHBondContact O-N 2.98Å; F849-P863 HydrophobicContact CD2-CG 3.78Å; F849-P863 HydrophobicContact CE2-CG 3.86Å; F849-D903 WeakPolarHBondContact CA-O 3.41Å; F849-Q904 HydrophobicContact CD1-CB 4.31Å; F849-Q904 HydrophobicContact CE1-CB 4.14Å; F849-Q904 HydrophobicContact CE1-CG 4.25Å
850V90.3Very high85.1Confident0 Ų044.2 Ų44.20%022%0.217CC..EExtended strand (participates in β ladder)trans-69118.2175-179.60000109.3V853 I858 V860 F902 D903 V905V850-V853 HydrophobicContact CG1-CG2 3.89Å; V850-I858 HydrophobicContact CG1-CB 4.28Å; V850-I858 HydrophobicContact CG1-CG2 4.3Å; V850-I858 HydrophobicContact CG2-CD1 4.16Å; V850-V860 HydrophobicContact CG2-CG2 4.49Å; V850-F902 WeakPolarHBondContact O-CA 3.42Å; V850-F902 PolarHBondContact O-N 3.1Å; V850-D903 HydrophobicContact CG2-CB 4.48Å; V850-D903 PolarHBondContact N-O 3.47Å; V850-V905 HydrophobicContact CG2-CG1 3.94Å; V850-V905 HydrophobicContact CG2-CG2 4.21Å
851L85.4Confident85.5Confident0 Ų038.9 Ų38.90%019%0.185CC..EExtended strand (participates in β ladder)trans-93.1-41.3175.3-73.5-175.6000112.3L737 L741 F849 I859 L861L737-L851 HydrophobicContact CD2-CD2 3.91Å; L741-L851 HydrophobicContact CD2-CD2 4.38Å; F849-L851 PolarHBondContact O-N 3.4Å; L851-I859 PolarHBondContact N-O 3.48Å; L851-L861 HydrophobicContact CD1-CB 3.61Å; L851-L861 HydrophobicContact CD1-CD1 4.39Å; L851-L861 HydrophobicContact CD1-CD2 4.15Å; L851-L861 HydrophobicContact CD1-CG 4.26Å; L851-L861 HydrophobicContact CD2-CB 4.4Å; L851-L861 HydrophobicContact CD2-CD2 4.37Å; L851-L861 HydrophobicContact CG-CB 3.71Å; L851-L861 HydrophobicContact CG-CD2 4.46Å
852F83.6Confident85.9Confident21 Ų2133.1 Ų33.19%0.09216%0.163CC..EExtended strand (participates in β ladder)trans-136.5147.9-179.5-59.2-84.8000111I699 L741 I859I699-F852 HydrophobicContact CG2-CD1 4.16Å; I699-F852 HydrophobicContact CG2-CE1 3.82Å; L741-F852 HydrophobicContact CD2-CE1 4.01Å; L741-F852 HydrophobicContact CD2-CE2 3.93Å; L741-F852 HydrophobicContact CD2-CZ 3.45Å; L741-F852 VanDerWaalsContact CD2-CZ 3.45Å; F852-I859 HydrophobicContact CB-CB 4.11Å; F852-I859 HydrophobicContact CB-CD1 4.07Å; F852-I859 HydrophobicContact CB-CG1 4.25Å; F852-I859 HydrophobicContact CD2-CB 4.31Å; F852-I859 HydrophobicContact CD2-CD1 4.22Å; F852-I859 HydrophobicContact CD2-CG2 4.44Å; F852-I859 HydrophobicContact CG-CD1 4.46Å; F852-I859 PolarHBondContact N-O 3.4Å; F852-I859 PolarHBondContact O-N 3.19Å
853V84Confident86Confident6 Ų632.8 Ų32.84%0.03616%0.155CC..EExtended strand (participates in β ladder)trans-115.9133174.3-173.80000108.2V850 I858 F885 P890 L892 I901V850-V853 HydrophobicContact CG1-CG2 3.89Å; V853-I858 HydrophobicContact CG1-CG2 4.31Å; V853-I858 HydrophobicContact CG2-CG2 4.37Å; V853-F885 HydrophobicContact CG1-CD2 4.28Å; V853-F885 HydrophobicContact CG1-CE2 3.99Å; V853-P890 WeakPolarHBondContact CG2-O 3.35Å; V853-L892 HydrophobicContact CG1-CB 3.25Å; V853-L892 HydrophobicContact CG1-CG 4.48Å; V853-I901 HydrophobicContact CG2-CG1 4.01Å
854R82.1Confident86.1Confident116 Ų11633.8 Ų33.844%0.43816%0.155SC..  trans-122.9172.2176.7-60.9-65.7-171.3-129.64.6109.4N856 A857R854-N856 VanDerWaalsContact C-N 3.29Å; R854-N856 PolarHBondContact O-N 3.02Å; R854-A857 WeakPolarHBondContact CA-O 3.4Å; R854-A857 WeakPolarHBondContact CB-O 3.4Å; R854-A857 PolarHBondContact N-O 3.09Å
855K78.8Confident85.8Confident59 Ų5932.3 Ų32.326%0.25715%0.147SC..SBendtrans-60.5-35.1-179.4-72.2-175.5-173.9177.90113.7S305 F885 E887 L892S305-K855 VanDerWaalsContact OG-CD 3.24Å; S305-K855 WeakPolarHBondContact OG-CD 3.4Å; S305-K855 VanDerWaalsContact OG-CE 3.3Å; S305-K855 WeakPolarHBondContact OG-CE 3.42Å; S305-K855 PolarHBondContact OG-NZ 2.95Å; K855-F885 HydrophobicContact CB-CB 4.41Å; K855-F885 HydrophobicContact CB-CD1 4.46Å; K855-F885 HydrophobicContact CB-CG 4.38Å; K855-F885 HydrophobicContact CD-CD1 4.14Å; K855-F885 HydrophobicContact CG-CB 3.94Å; K855-F885 HydrophobicContact CG-CD1 3.33Å; K855-F885 HydrophobicContact CG-CD2 4.46Å; K855-F885 HydrophobicContact CG-CE1 3.8Å; K855-F885 HydrophobicContact CG-CG 3.67Å; K855-E887 WeakPolarHBondContact CE-OE1 3.31Å; K855-E887 IonicContact NZ-OE1 3.19Å; K855-E887 PolarHBondContact NZ-OE1 2.74Å; K855-L892 WeakPolarHBondContact O-CD1 3.37Å
856N78.8Confident85.4Confident29 Ų2930.6 Ų30.616%0.15514%0.142CC..SBendtrans-124.34.1-174.964.8-18.9000114.4R854 F873R854-N856 VanDerWaalsContact C-N 3.29Å; R854-N856 PolarHBondContact O-N 3.02Å; N856-F873 PolarHBondContact O-N 3.35Å; N856-F873 VanDerWaalsContact O-N 3.11Å
857A84.1Confident85Confident3 Ų329.6 Ų29.63%0.02514%0.138CC..EExtended strand (participates in β ladder)trans-157.7160-173.100000113.1R854 T870 V871 F872R854-A857 WeakPolarHBondContact CA-O 3.4Å; R854-A857 WeakPolarHBondContact CB-O 3.4Å; R854-A857 PolarHBondContact N-O 3.09Å; A857-T870 HydrophobicContact CB-CG2 3.64Å; A857-V871 WeakPolarHBondContact CA-O 3.21Å; A857-V871 VanDerWaalsContact CB-O 3.3Å; A857-V871 WeakPolarHBondContact CB-O 3.47Å; A857-F872 HydrophobicContact CB-CD1 3.95Å; A857-F872 HydrophobicContact CB-CE1 4.29Å
858I87.6Confident84.8Confident0 Ų027.6 Ų27.60%013%0.131CC..EExtended strand (participates in β ladder)trans-117.7145.5165.255.1173.5000110.1V850 V853 V860 T870 V871 F873 L892 F899V850-I858 HydrophobicContact CG1-CB 4.28Å; V850-I858 HydrophobicContact CG1-CG2 4.3Å; V850-I858 HydrophobicContact CG2-CD1 4.16Å; V853-I858 HydrophobicContact CG1-CG2 4.31Å; V853-I858 HydrophobicContact CG2-CG2 4.37Å; I858-V860 HydrophobicContact CD1-CG2 3.99Å; I858-V860 HydrophobicContact CG1-CG2 4.15Å; I858-T870 WeakPolarHBondContact O-CA 3.31Å; I858-V871 HydrophobicContact CD1-CB 4.47Å; I858-V871 HydrophobicContact CG1-CB 3.86Å; I858-V871 HydrophobicContact CG1-CG2 4.41Å; I858-V871 PolarHBondContact N-O 3.26Å; I858-V871 PolarHBondContact O-N 3.03Å; I858-F873 HydrophobicContact CB-CE2 4.3Å; I858-F873 HydrophobicContact CD1-CE2 4.33Å; I858-F873 HydrophobicContact CD1-CZ 3.74Å; I858-F873 HydrophobicContact CG1-CE2 3.82Å; I858-F873 HydrophobicContact CG1-CZ 3.68Å; I858-F873 HydrophobicContact CG2-CE2 3.95Å; I858-F873 HydrophobicContact CG2-CZ 4.36Å; I858-L892 HydrophobicContact CG2-CD2 4.33Å; I858-F899 HydrophobicContact CD1-CD1 4.15Å; I858-F899 HydrophobicContact CD1-CE1 4.21Å; I858-F899 HydrophobicContact CG2-CB 4.25Å; I858-F899 HydrophobicContact CG2-CG 4.44Å
859I88.3Confident84.4Confident31 Ų3128 Ų2816%0.15914%0.135CC..EExtended strand (participates in β ladder)trans-102.9119173.5-55.5-179.4000107.8L851 F852L851-I859 PolarHBondContact N-O 3.48Å; F852-I859 HydrophobicContact CB-CB 4.11Å; F852-I859 HydrophobicContact CB-CD1 4.07Å; F852-I859 HydrophobicContact CB-CG1 4.25Å; F852-I859 HydrophobicContact CD2-CB 4.31Å; F852-I859 HydrophobicContact CD2-CD1 4.22Å; F852-I859 HydrophobicContact CD2-CG2 4.44Å; F852-I859 HydrophobicContact CG-CD1 4.46Å; F852-I859 PolarHBondContact N-O 3.4Å; F852-I859 PolarHBondContact O-N 3.19Å
860V90.2Very high84.1Confident0 Ų029.1 Ų29.10%014%0.144CC..EExtended strand (participates in β ladder)trans-110.6134.4-175.3-1770000109.4F849 V850 I858 E868 G869 V871 V905 V907 M923F849-V860 WeakPolarHBondContact O-CA 3.48Å; V850-V860 HydrophobicContact CG2-CG2 4.49Å; I858-V860 HydrophobicContact CD1-CG2 3.99Å; I858-V860 HydrophobicContact CG1-CG2 4.15Å; V860-E868 WeakPolarHBondContact O-CA 3.5Å; V860-G869 PolarHBondContact N-O 3.35Å; V860-G869 PolarHBondContact O-N 3.45Å; V860-V871 HydrophobicContact CG2-CG2 4.11Å; V860-V905 HydrophobicContact CB-CG2 4.37Å; V860-V905 HydrophobicContact CG1-CG2 3.58Å; V860-V905 HydrophobicContact CG2-CG2 3.78Å; V860-V907 HydrophobicContact CG1-CG1 4.33Å; V860-V907 HydrophobicContact CG2-CG1 4.41Å; V860-M923 HydrophobicContact CB-SD 4.49Å
861L89.3Confident83.8Confident0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-99.6133.3171.417772.9000110.3L633 L737 I740 G848 F849 L851 P863 E868L633-L861 HydrophobicContact CD1-CD1 3.41Å; L633-L861 VanDerWaalsContact CD1-CD1 3.41Å; L633-L861 HydrophobicContact CD1-CD2 3.73Å; L633-L861 HydrophobicContact CD1-CG 4.05Å; L737-L861 HydrophobicContact CD2-CD2 3.58Å; I740-L861 HydrophobicContact CD1-CD2 4.03Å; G848-L861 CarbonylContact C-O 3.58Å; G848-L861 WeakPolarHBondContact CA-O 3.47Å; F849-L861 PolarHBondContact N-O 3.31Å; F849-L861 PolarHBondContact O-N 2.98Å; L851-L861 HydrophobicContact CD1-CB 3.61Å; L851-L861 HydrophobicContact CD1-CD1 4.39Å; L851-L861 HydrophobicContact CD1-CD2 4.15Å; L851-L861 HydrophobicContact CD1-CG 4.26Å; L851-L861 HydrophobicContact CD2-CB 4.4Å; L851-L861 HydrophobicContact CD2-CD2 4.37Å; L851-L861 HydrophobicContact CG-CB 3.71Å; L851-L861 HydrophobicContact CG-CD2 4.46Å; L861-P863 WeakPolarHBondContact O-CD 3.34Å; L861-E868 HydrophobicContact CD1-CG 3.65Å
862I88Confident83.7Confident0 Ų033.7 Ų33.70%016%0.164CC..EExtended strand (participates in β ladder)trans-108.599.9175.6-53.5-175.1000108.4E846 K864 F865 G866 L867 V907 I909 M923E846-I862 HydrophobicContact CB-CG2 3.95Å; I862-K864 VanDerWaalsContact C-N 3.3Å; I862-K864 PolarHBondContact O-N 3.36Å; I862-F865 HydrophobicContact CG2-CD2 3.85Å; I862-F865 PolarHBondContact O-N 3.23Å; I862-G866 PolarHBondContact O-N 3.06Å; I862-L867 PolarHBondContact N-O 2.68Å; I862-L867 PolarHBondContact O-N 3.16Å; I862-V907 HydrophobicContact CD1-CG2 3.68Å; I862-V907 HydrophobicContact CG1-CG2 4.26Å; I862-I909 HydrophobicContact CD1-CD1 3.3Å; I862-I909 HydrophobicContact CD1-CG1 3.62Å; I862-M923 HydrophobicContact CD1-CE 3.42Å; I862-M923 VanDerWaalsContact CD1-CE 3.42Å; I862-M923 HydrophobicContact CD1-SD 3.95Å; I862-M923 HydrophobicContact CG1-CE 3.99Å; I862-M923 HydrophobicContact CG1-SD 4.45Å
863P82.1Confident83.4Confident27 Ų2733.1 Ų33.118%0.17516%0.162CC..G310 helixtrans-58.4-40-172.7-26.735.4000113.5Y733 F849 L861 F865 G866Y733-P863 HydrophobicContact CD1-CG 4.3Å; Y733-P863 HydrophobicContact CE1-CB 4.04Å; Y733-P863 HydrophobicContact CE1-CG 3.72Å; F849-P863 HydrophobicContact CD2-CG 3.78Å; F849-P863 HydrophobicContact CE2-CG 3.86Å; L861-P863 WeakPolarHBondContact O-CD 3.34Å; P863-F865 PolarHBondContact O-N 3.41Å; P863-G866 PolarHBondContact O-N 3.27Å; P863-G866 VanDerWaalsContact O-N 3.13Å
864K81.2Confident82.7Confident124 Ų12437 Ų3754%0.53918%0.182SC..G310 helixtrans-56.6-36.7-178-175.8177.3178179.20113E846 I862E846-K864 WeakPolarHBondContact OE1-CD 3.39Å; E846-K864 IonicContact OE1-NZ 3.76Å; E846-K864 PolarHBondContact OE1-NZ 3.04Å; I862-K864 VanDerWaalsContact C-N 3.3Å; I862-K864 PolarHBondContact O-N 3.36Å
865F78.8Confident81.5Confident13 Ų1333.6 Ų33.66%0.05718%0.176CC..G310 helixtrans-106.20.4-179.6-58.1-55.3000113.4V635 L649 F837 F838 L844 E846 I862 P863 L867 I909V635-F865 WeakPolarHBondContact CG1-O 3.26Å; L649-F865 HydrophobicContact CD2-CB 4.31Å; L649-F865 HydrophobicContact CD2-CD1 4.31Å; F837-F865 HydrophobicContact CE1-CE1 4.15Å; F837-F865 HydrophobicContact CZ-CE1 4.47Å; F838-F865 HydrophobicContact CE1-CD2 4.42Å; F838-F865 HydrophobicContact CE1-CE2 4.15Å; F838-F865 AromaticContact CZ-CD2 3.83Å; F838-F865 HydrophobicContact CZ-CD2 3.83Å; F838-F865 HydrophobicContact CZ-CE2 4.02Å; F838-F865 HydrophobicContact CZ-CG 4.19Å; L844-F865 HydrophobicContact CD1-CZ 4.15Å; E846-F865 HydrophobicContact CG-CD2 4.48Å; E846-F865 HydrophobicContact CG-CE2 3.69Å; E846-F865 HydrophobicContact CG-CZ 4.36Å; I862-F865 HydrophobicContact CG2-CD2 3.85Å; I862-F865 PolarHBondContact O-N 3.23Å; P863-F865 PolarHBondContact O-N 3.41Å; F865-L867 HydrophobicContact CB-CB 4.02Å; F865-L867 PolarHBondContact O-N 3.21Å; F865-L867 VanDerWaalsContact O-N 3.1Å; F865-I909 HydrophobicContact CD2-CD1 3.97Å; F865-I909 HydrophobicContact CE2-CD1 3.98Å
866G79Confident80.3Confident18 Ų1838.8 Ų38.819%0.18620%0.199CC..THydrogen-bonded Turntrans54.226.2-170.400000113.6I862 P863I862-G866 PolarHBondContact O-N 3.06Å; P863-G866 PolarHBondContact O-N 3.27Å; P863-G866 VanDerWaalsContact O-N 3.13Å
867L81.7Confident78.8Confident23 Ų2344.7 Ų44.712%0.1223%0.23CC..EExtended strand (participates in β ladder)trans-102.5139.3-169.9-179.676.4000111T834 F838 I862 F865 I909 I921 M923T834-L867 HydrophobicContact CG2-CD1 4.11Å; F838-L867 HydrophobicContact CE2-CD2 3.99Å; F838-L867 HydrophobicContact CZ-CD2 4.3Å; I862-L867 PolarHBondContact N-O 2.68Å; I862-L867 PolarHBondContact O-N 3.16Å; F865-L867 HydrophobicContact CB-CB 4.02Å; F865-L867 PolarHBondContact O-N 3.21Å; F865-L867 VanDerWaalsContact O-N 3.1Å; L867-I909 HydrophobicContact CD2-CG2 4.44Å; L867-I921 HydrophobicContact CD1-CD1 3.78Å; L867-I921 HydrophobicContact CD2-CD1 3.96Å; L867-I921 HydrophobicContact CD2-CG2 4.07Å; L867-M923 HydrophobicContact CD2-CE 3.47Å; L867-M923 VanDerWaalsContact CD2-CE 3.47Å; L867-M923 HydrophobicContact CG-CE 3.94Å
868E84.4Confident77.5Confident83 Ų8350.8 Ų50.839%0.38826%0.256SS..EExtended strand (participates in β ladder)trans-106.8141.1168.6-64.9169.6-142.900110.4R744 V860 L861R744-E868 IonicContact CZ-OE1 3.91Å; R744-E868 IonicContact CZ-OE2 3.03Å; R744-E868 VanDerWaalsContact CZ-OE2 3.23Å; R744-E868 IonicContact NH1-OE1 2.99Å; R744-E868 IonicContact NH1-OE2 3.14Å; R744-E868 PolarHBondContact NH1-OE2 3.49Å; R744-E868 IonicContact NH2-OE1 3.26Å; R744-E868 PolarHBondContact NH2-OE1 3.04Å; R744-E868 IonicContact NH2-OE2 2.82Å; R744-E868 PolarHBondContact NH2-OE2 3.48Å; V860-E868 WeakPolarHBondContact O-CA 3.5Å; L861-E868 HydrophobicContact CD1-CG 3.65Å
869G82.8Confident76Confident9 Ų955.5 Ų55.59%0.09330%0.295CS..EExtended strand (participates in β ladder)trans-149.2157.3170.300000112.7V860 M923V860-G869 PolarHBondContact N-O 3.35Å; V860-G869 PolarHBondContact O-N 3.45Å; G869-M923 WeakPolarHBondContact CA-SD 3.22Å
870T85.1Confident74.8Confident49 Ų4958 Ų5830%0.30132%0.316SS..EExtended strand (participates in β ladder)trans-99.9127.3-178.5-53.50000109.2A857 I858 F872A857-T870 HydrophobicContact CB-CG2 3.64Å; I858-T870 WeakPolarHBondContact O-CA 3.31Å; T870-F872 HydrophobicContact CG2-CD1 4.34Å; T870-F872 HydrophobicContact CG2-CD2 4.13Å; T870-F872 HydrophobicContact CG2-CE1 3.96Å; T870-F872 HydrophobicContact CG2-CE2 3.73Å; T870-F872 HydrophobicContact CG2-CG 4.43Å; T870-F872 HydrophobicContact CG2-CZ 3.64Å
871V85.3Confident73.8Confident3 Ų358.9 Ų58.92%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-98.9112.3169.4-1770000107.4A857 I858 V860 F873 V907 M923 L925A857-V871 WeakPolarHBondContact CA-O 3.21Å; A857-V871 VanDerWaalsContact CB-O 3.3Å; A857-V871 WeakPolarHBondContact CB-O 3.47Å; I858-V871 HydrophobicContact CD1-CB 4.47Å; I858-V871 HydrophobicContact CG1-CB 3.86Å; I858-V871 HydrophobicContact CG1-CG2 4.41Å; I858-V871 PolarHBondContact N-O 3.26Å; I858-V871 PolarHBondContact O-N 3.03Å; V860-V871 HydrophobicContact CG2-CG2 4.11Å; V871-F873 HydrophobicContact CG1-CE1 4.21Å; V871-F873 HydrophobicContact CG1-CZ 4.47Å; V871-V907 HydrophobicContact CG2-CG1 4.14Å; V871-M923 HydrophobicContact CG2-CB 3.71Å; V871-L925 HydrophobicContact CG1-CB 4.25Å
872F82.8Confident73.1Confident94 Ų9463.9 Ų63.941%0.41235%0.348SS..EExtended strand (participates in β ladder)trans-87.3135.5174.8-65.7-83.5000109.9A857 T870A857-F872 HydrophobicContact CB-CD1 3.95Å; A857-F872 HydrophobicContact CB-CE1 4.29Å; T870-F872 HydrophobicContact CG2-CD1 4.34Å; T870-F872 HydrophobicContact CG2-CD2 4.13Å; T870-F872 HydrophobicContact CG2-CE1 3.96Å; T870-F872 HydrophobicContact CG2-CE2 3.73Å; T870-F872 HydrophobicContact CG2-CG 4.43Å; T870-F872 HydrophobicContact CG2-CZ 3.64Å
873F77.8Confident72.8Confident9 Ų966.2 Ų66.24%0.03936%0.36CS..  trans-96.2-15.9177.4-62.9-64.2000113.3N856 I858 V871 P881 L883 L892 V894 F899 L925 V933N856-F873 PolarHBondContact O-N 3.35Å; N856-F873 VanDerWaalsContact O-N 3.11Å; I858-F873 HydrophobicContact CB-CE2 4.3Å; I858-F873 HydrophobicContact CD1-CE2 4.33Å; I858-F873 HydrophobicContact CD1-CZ 3.74Å; I858-F873 HydrophobicContact CG1-CE2 3.82Å; I858-F873 HydrophobicContact CG1-CZ 3.68Å; I858-F873 HydrophobicContact CG2-CE2 3.95Å; I858-F873 HydrophobicContact CG2-CZ 4.36Å; V871-F873 HydrophobicContact CG1-CE1 4.21Å; V871-F873 HydrophobicContact CG1-CZ 4.47Å; F873-P881 HydrophobicContact CB-CG 4.43Å; F873-P881 WeakPolarHBondContact O-CD 3.44Å; F873-P881 WeakPolarHBondContact O-CG 3.44Å; F873-L883 HydrophobicContact CB-CD2 4.04Å; F873-L892 HydrophobicContact CD2-CD2 3.57Å; F873-L892 HydrophobicContact CE2-CD2 3.48Å; F873-L892 VanDerWaalsContact CE2-CD2 3.48Å; F873-V894 HydrophobicContact CD1-CG1 4.39Å; F873-V894 HydrophobicContact CD1-CG2 4.31Å; F873-V894 HydrophobicContact CD2-CG2 3.99Å; F873-V894 HydrophobicContact CE1-CG2 4.36Å; F873-V894 HydrophobicContact CE2-CG2 4.06Å; F873-V894 HydrophobicContact CG-CG2 4.1Å; F873-V894 HydrophobicContact CZ-CG2 4.22Å; F873-F899 HydrophobicContact CE1-CE2 4.11Å; F873-F899 HydrophobicContact CE1-CZ 4.37Å; F873-F899 HydrophobicContact CE2-CE2 4.49Å; F873-F899 HydrophobicContact CZ-CD2 4.14Å; F873-F899 AromaticContact CZ-CE2 3.7Å; F873-F899 HydrophobicContact CZ-CE2 3.7Å; F873-F899 HydrophobicContact CZ-CZ 4.1Å; F873-L925 HydrophobicContact CE1-CD2 4.37Å; F873-V933 HydrophobicContact CD1-CG1 3.48Å; F873-V933 VanDerWaalsContact CD1-CG1 3.48Å; F873-V933 HydrophobicContact CE1-CG1 3.98Å
874D67.7Low72.8Confident88 Ų8868.8 Ų68.847%0.47138%0.375SS..  trans-96129177.8-146.8-0.4000109.8S880D874-S880 WeakPolarHBondContact OD1-CB 3.37Å
875S57.8Low72.7Confident43 Ų4365.6 Ų65.630%0.30136%0.361SS..  trans-136.8128.8-176.9-172.40000109.8D877 K878S875-D877 PolarHBondContact O-N 2.87Å; S875-K878 PolarHBondContact O-N 2.83Å; S875-K878 VanDerWaalsContact O-O 3.1Å
876K52.5Low72.7Confident169 Ų16968.3 Ų68.374%0.73538%0.376SS*.THydrogen-bonded Turntrans-57.6-25.2-175.8-66.8-173.6178.2-177.10114.5D311D311-K876 WeakPolarHBondContact OD2-CE 3.47Å; D311-K876 IonicContact OD2-NZ 2.68Å; D311-K876 PolarHBondContact OD2-NZ 2.87Å
877D47.5Very low72.3Confident153 Ų15372.5 Ų72.582%0.81839%0.391SS*.THydrogen-bonded Turntrans-95.4-0.1-174.3-51.9-47.6000114.3S875S875-D877 PolarHBondContact O-N 2.87Å
878K58.6Low71.7Confident131 Ų13179.5 Ų79.557%0.5742%0.423SS*.SBendtrans-134.1157.2-178.8-69.2-177.3178.5177.20111.1S875 S880 G932S875-K878 PolarHBondContact O-N 2.83Å; S875-K878 VanDerWaalsContact O-O 3.1Å; K878-S880 PolarHBondContact O-N 2.87Å; K878-G932 PolarHBondContact NZ-O 3.47Å
879A56Low70.8Confident99 Ų9977 Ų7782%0.81842%0.42SS*.PPolyproline II helixtrans-57.5127.4170.800000109.7
880S61.9Low70.4Confident84 Ų8477.6 Ų77.659%0.58742%0.422SS*.PPolyproline II helixtrans-59.6124.2-179.854.90000109.7D874 K878D874-S880 WeakPolarHBondContact OD1-CB 3.37Å; K878-S880 PolarHBondContact O-N 2.87Å
881P69.7Low70.4Confident18 Ų1876.3 Ų76.312%0.11741%0.414CS..PPolyproline II helixtrans-64.9157.8178.427.4-33.7000111F873 L883 V894 E895 V933F873-P881 HydrophobicContact CB-CG 4.43Å; F873-P881 WeakPolarHBondContact O-CD 3.44Å; F873-P881 WeakPolarHBondContact O-CG 3.44Å; P881-L883 HydrophobicContact CG-CD2 4.24Å; P881-L883 HydrophobicContact CG-CG 4.39Å; P881-L883 PolarHBondContact O-N 2.88Å; P881-V894 HydrophobicContact CB-CG1 4.27Å; P881-V894 HydrophobicContact CG-CG1 4.46Å; P881-E895 VanDerWaalsContact CA-OE1 3.29Å; P881-E895 WeakPolarHBondContact CA-OE1 3.27Å; P881-E895 HydrophobicContact CB-CG 4.25Å; P881-E895 WeakPolarHBondContact CB-OE1 3.33Å; P881-V933 HydrophobicContact CB-CG2 4.01Å; P881-V933 HydrophobicContact CG-CG2 4.04Å
882N75.3Confident70.4Confident104 Ų10476.1 Ų76.156%0.55641%0.413SS*.  trans-70.3112173.8-171.32.2000110.1E895N882-E895 PolarHBondContact N-OE1 2.86Å; N882-E895 PolarHBondContact O-N 2.96Å
883L80.6Confident70.4Confident49 Ų4976.2 Ų76.226%0.25741%0.413SS..EExtended strand (participates in β ladder)trans-111.4119.7-178.3-61.4175.4000110.1F873 P881 L892 K893 V894F873-L883 HydrophobicContact CB-CD2 4.04Å; P881-L883 HydrophobicContact CG-CD2 4.24Å; P881-L883 HydrophobicContact CG-CG 4.39Å; P881-L883 PolarHBondContact O-N 2.88Å; L883-L892 HydrophobicContact CB-CD1 4.47Å; L883-L892 HydrophobicContact CD2-CD1 4.44Å; L883-K893 WeakPolarHBondContact CA-O 3.48Å; L883-V894 HydrophobicContact CD2-CB 4.12Å; L883-V894 HydrophobicContact CD2-CG1 3.89Å; L883-V894 HydrophobicContact CD2-CG2 3.65Å
884V82.1Confident70.6Confident82 Ų8275.8 Ų75.850%0.49741%0.412SS..EExtended strand (participates in β ladder)trans-118.7114.5172.1-176.70000108.5K893V884-K893 HydrophobicContact CB-CB 4.28Å; V884-K893 PolarHBondContact N-O 3.11Å; V884-K893 PolarHBondContact O-N 2.57Å
885F79.8Confident71.3Confident57 Ų5775.6 Ų75.625%0.2541%0.408CS..EExtended strand (participates in β ladder)trans-103.8130179.1180-111.2000110.7V853 K855 E887 T891 L892V853-F885 HydrophobicContact CG1-CD2 4.28Å; V853-F885 HydrophobicContact CG1-CE2 3.99Å; K855-F885 HydrophobicContact CB-CB 4.41Å; K855-F885 HydrophobicContact CB-CD1 4.46Å; K855-F885 HydrophobicContact CB-CG 4.38Å; K855-F885 HydrophobicContact CD-CD1 4.14Å; K855-F885 HydrophobicContact CG-CB 3.94Å; K855-F885 HydrophobicContact CG-CD1 3.33Å; K855-F885 HydrophobicContact CG-CD2 4.46Å; K855-F885 HydrophobicContact CG-CE1 3.8Å; K855-F885 HydrophobicContact CG-CG 3.67Å; F885-E887 HydrophobicContact CD1-CG 3.78Å; F885-E887 HydrophobicContact CE1-CB 4.37Å; F885-E887 HydrophobicContact CE1-CG 3.32Å; F885-E887 HydrophobicContact CZ-CG 4.28Å; F885-T891 VanDerWaalsContact CD2-O 3.3Å; F885-T891 WeakPolarHBondContact CD2-O 3.21Å; F885-L892 HydrophobicContact CB-CD1 4.17Å; F885-L892 HydrophobicContact CD2-CB 4.47Å; F885-L892 HydrophobicContact CD2-CD1 4.37Å
886D78.7Confident72.3Confident69 Ų6982.4 Ų82.437%0.36944%0.435SS..EExtended strand (participates in β ladder)trans-107.8116174.4175.711.7000109.8E888 G889 P890 T891D886-E888 PolarHBondContact OD1-N 3.19Å; D886-G889 PolarHBondContact OD1-N 2.97Å; D886-G889 PolarHBondContact OD2-N 2.76Å; D886-P890 VanDerWaalsContact O-CA 3.24Å; D886-P890 WeakPolarHBondContact O-CA 3.49Å; D886-T891 PolarHBondContact N-O 2.97Å; D886-T891 PolarHBondContact O-N 2.94Å; D886-T891 VanDerWaalsContact O-N 3.16Å
887E69.4Low73.7Confident106 Ų10677.7 Ų77.750%0.49542%0.415SS..THydrogen-bonded Turntrans-75.9-21.9-179.6-81-179.8-169.100113.7K702 K855 F885K702-E887 PolarHBondContact NZ-O 3.32Å; K702-E887 VanDerWaalsContact NZ-O 3.15Å; K855-E887 WeakPolarHBondContact CE-OE1 3.31Å; K855-E887 IonicContact NZ-OE1 3.19Å; K855-E887 PolarHBondContact NZ-OE1 2.74Å; F885-E887 HydrophobicContact CD1-CG 3.78Å; F885-E887 HydrophobicContact CE1-CB 4.37Å; F885-E887 HydrophobicContact CE1-CG 3.32Å; F885-E887 HydrophobicContact CZ-CG 4.28Å
888E70.3Confident75.6Confident170 Ų17072.6 Ų72.679%0.79439%0.39SS*.THydrogen-bonded Turntrans-80.6-46179.9-66.9-168.4170.100111.2D886 P890D886-E888 PolarHBondContact OD1-N 3.19Å; E888-P890 VanDerWaalsContact C-CD 3.5Å; E888-P890 WeakPolarHBondContact O-CD 3.48Å
889G65.3Low77Confident31 Ų3166.3 Ų66.332%0.3236%0.363SS..THydrogen-bonded Turntrans-85.58.4179.700000116.8D886 T891D886-G889 PolarHBondContact OD1-N 2.97Å; D886-G889 PolarHBondContact OD2-N 2.76Å; G889-T891 VanDerWaalsContact O-CG2 3.28Å; G889-T891 WeakPolarHBondContact O-CG2 3.46Å; G889-T891 PolarHBondContact O-N 3.2Å
890P75.3Confident78.4Confident21 Ų2165.1 Ų65.114%0.13634%0.34CS..THydrogen-bonded Turntrans4.570.3-14119.6-37.4000115.4K702 V853 D886 E888 I901K702-P890 HydrophobicContact CB-CG 4.25Å; V853-P890 WeakPolarHBondContact CG2-O 3.35Å; D886-P890 VanDerWaalsContact O-CA 3.24Å; D886-P890 WeakPolarHBondContact O-CA 3.49Å; E888-P890 VanDerWaalsContact C-CD 3.5Å; E888-P890 WeakPolarHBondContact O-CD 3.48Å; P890-I901 HydrophobicContact CB-CD1 3.98Å; P890-I901 HydrophobicContact CG-CD1 3.64Å
891T83.8Confident79.6Confident22 Ų2261.4 Ų61.414%0.13531%0.313CS..EExtended strand (participates in β ladder)trans-115.4151.7177.668.50000111.9F885 D886 G889 T898 F899 H900F885-T891 VanDerWaalsContact CD2-O 3.3Å; F885-T891 WeakPolarHBondContact CD2-O 3.21Å; D886-T891 PolarHBondContact N-O 2.97Å; D886-T891 PolarHBondContact O-N 2.94Å; D886-T891 VanDerWaalsContact O-N 3.16Å; G889-T891 VanDerWaalsContact O-CG2 3.28Å; G889-T891 WeakPolarHBondContact O-CG2 3.46Å; G889-T891 PolarHBondContact O-N 3.2Å; T891-T898 HydrophobicContact CG2-CG2 4.39Å; T891-F899 WeakPolarHBondContact CA-O 3.25Å; T891-H900 VanDerWaalsContact CG2-CD2 3.4Å; T891-H900 WeakPolarHBondContact CG2-CD2 3.48Å
892L84.5Confident80.5Confident0 Ų060.7 Ų60.70%031%0.308CS..EExtended strand (participates in β ladder)trans-125.4116.9174.2178.169.9000108.7V853 K855 I858 F873 L883 F885 V894 F899V853-L892 HydrophobicContact CG1-CB 3.25Å; V853-L892 HydrophobicContact CG1-CG 4.48Å; K855-L892 WeakPolarHBondContact O-CD1 3.37Å; I858-L892 HydrophobicContact CG2-CD2 4.33Å; F873-L892 HydrophobicContact CD2-CD2 3.57Å; F873-L892 HydrophobicContact CE2-CD2 3.48Å; F873-L892 VanDerWaalsContact CE2-CD2 3.48Å; L883-L892 HydrophobicContact CB-CD1 4.47Å; L883-L892 HydrophobicContact CD2-CD1 4.44Å; F885-L892 HydrophobicContact CB-CD1 4.17Å; F885-L892 HydrophobicContact CD2-CB 4.47Å; F885-L892 HydrophobicContact CD2-CD1 4.37Å; L892-V894 HydrophobicContact CD2-CG2 3.89Å; L892-V894 HydrophobicContact CG-CG2 3.89Å; L892-F899 PolarHBondContact N-O 3.44Å; L892-F899 VanDerWaalsContact N-O 3.16Å; L892-F899 PolarHBondContact O-N 3.27Å
893K84.8Confident81.1Confident96 Ų9657.3 Ų57.342%0.41729%0.29SS..EExtended strand (participates in β ladder)trans-93.1118.4171.2-170.1177.4-179.1-178.90109.2L883 V884 E895 H897L883-K893 WeakPolarHBondContact CA-O 3.48Å; V884-K893 HydrophobicContact CB-CB 4.28Å; V884-K893 PolarHBondContact N-O 3.11Å; V884-K893 PolarHBondContact O-N 2.57Å; K893-E895 WeakPolarHBondContact CE-O 3.31Å; K893-H897 CarbonylContact C-O 3.56Å; K893-H897 WeakPolarHBondContact CA-O 3.38Å
894V81.9Confident81.6Confident0 Ų060.5 Ų60.50%030%0.304CS..EExtended strand (participates in β ladder)trans-110.8110.9174.9-173.70000107.1F873 P881 L883 L892 Q896 H897 F899 I930 V933F873-V894 HydrophobicContact CD1-CG1 4.39Å; F873-V894 HydrophobicContact CD1-CG2 4.31Å; F873-V894 HydrophobicContact CD2-CG2 3.99Å; F873-V894 HydrophobicContact CE1-CG2 4.36Å; F873-V894 HydrophobicContact CE2-CG2 4.06Å; F873-V894 HydrophobicContact CG-CG2 4.1Å; F873-V894 HydrophobicContact CZ-CG2 4.22Å; P881-V894 HydrophobicContact CB-CG1 4.27Å; P881-V894 HydrophobicContact CG-CG1 4.46Å; L883-V894 HydrophobicContact CD2-CB 4.12Å; L883-V894 HydrophobicContact CD2-CG1 3.89Å; L883-V894 HydrophobicContact CD2-CG2 3.65Å; L892-V894 HydrophobicContact CD2-CG2 3.89Å; L892-V894 HydrophobicContact CG-CG2 3.89Å; V894-Q896 PolarHBondContact O-N 3.37Å; V894-H897 PolarHBondContact N-O 3.02Å; V894-H897 PolarHBondContact O-N 3.04Å; V894-F899 HydrophobicContact CB-CE2 4.17Å; V894-F899 HydrophobicContact CG2-CD2 3.93Å; V894-F899 HydrophobicContact CG2-CE2 3.78Å; V894-I930 HydrophobicContact CB-CD1 4.32Å; V894-I930 HydrophobicContact CG1-CD1 4.44Å; V894-I930 HydrophobicContact CG1-CG2 4.45Å; V894-V933 HydrophobicContact CG1-CG2 4.27Å
895E80.9Confident82Confident84 Ų8456.8 Ų56.839%0.39328%0.281SS..THydrogen-bonded Turntrans53.9-100.7-173-61.5-62.8157.200112.2P881 N882 K893 I930P881-E895 VanDerWaalsContact CA-OE1 3.29Å; P881-E895 WeakPolarHBondContact CA-OE1 3.27Å; P881-E895 HydrophobicContact CB-CG 4.25Å; P881-E895 WeakPolarHBondContact CB-OE1 3.33Å; N882-E895 PolarHBondContact N-OE1 2.86Å; N882-E895 PolarHBondContact O-N 2.96Å; K893-E895 WeakPolarHBondContact CE-O 3.31Å; E895-I930 HydrophobicContact CB-CG2 4.44Å; E895-I930 HydrophobicContact CG-CG2 4.44Å
896Q79.4Confident82.5Confident186 Ų18656.8 Ų56.887%0.86928%0.281SS*.THydrogen-bonded Turntrans-105.5-12.2-178.7-63.1-173.9-6.500113.8V894V894-Q896 PolarHBondContact O-N 3.37Å
897H82.5Confident83.1Confident69 Ų6953.5 Ų53.532%0.31926%0.264SS..EExtended strand (participates in β ladder)trans-103.8135-175.4-166.377.4000111.7K893 V894 F899 I930K893-H897 CarbonylContact C-O 3.56Å; K893-H897 WeakPolarHBondContact CA-O 3.38Å; V894-H897 PolarHBondContact N-O 3.02Å; V894-H897 PolarHBondContact O-N 3.04Å; H897-F899 AromaticContact CD2-CD1 3.96Å; H897-F899 AromaticContact CD2-CE1 3.74Å; H897-F899 AromaticContact CD2-CE2 3.93Å; H897-F899 AromaticContact CD2-CZ 3.71Å; H897-I930 HydrophobicContact CB-CD1 3.9Å; H897-I930 HydrophobicContact CB-CG1 4.23Å
898T86.8Confident84Confident46 Ų4649 Ų4928%0.28224%0.243SC..EExtended strand (participates in β ladder)trans-107118176.8-54.30000110T891 H900T891-T898 HydrophobicContact CG2-CG2 4.39Å; T898-H900 PolarHBondContact O-CE1 3.44Å; T898-H900 PolarHBondContact O-ND1 3.08Å
899F87.6Confident84.8Confident0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-86.7130.2173.2-65.6-79.4000110.9I858 F873 T891 L892 V894 H897 V905 L925 P928 I930I858-F899 HydrophobicContact CD1-CD1 4.15Å; I858-F899 HydrophobicContact CD1-CE1 4.21Å; I858-F899 HydrophobicContact CG2-CB 4.25Å; I858-F899 HydrophobicContact CG2-CG 4.44Å; F873-F899 HydrophobicContact CE1-CE2 4.11Å; F873-F899 HydrophobicContact CE1-CZ 4.37Å; F873-F899 HydrophobicContact CE2-CE2 4.49Å; F873-F899 HydrophobicContact CZ-CD2 4.14Å; F873-F899 AromaticContact CZ-CE2 3.7Å; F873-F899 HydrophobicContact CZ-CE2 3.7Å; F873-F899 HydrophobicContact CZ-CZ 4.1Å; T891-F899 WeakPolarHBondContact CA-O 3.25Å; L892-F899 PolarHBondContact N-O 3.44Å; L892-F899 VanDerWaalsContact N-O 3.16Å; L892-F899 PolarHBondContact O-N 3.27Å; V894-F899 HydrophobicContact CB-CE2 4.17Å; V894-F899 HydrophobicContact CG2-CD2 3.93Å; V894-F899 HydrophobicContact CG2-CE2 3.78Å; H897-F899 AromaticContact CD2-CD1 3.96Å; H897-F899 AromaticContact CD2-CE1 3.74Å; H897-F899 AromaticContact CD2-CE2 3.93Å; H897-F899 AromaticContact CD2-CZ 3.71Å; F899-V905 HydrophobicContact CD1-CG1 4.32Å; F899-V905 HydrophobicContact CE1-CG1 4.08Å; F899-L925 HydrophobicContact CE1-CD2 4.18Å; F899-L925 HydrophobicContact CZ-CD2 3.61Å; F899-P928 HydrophobicContact CE1-CG 3.91Å; F899-P928 HydrophobicContact CZ-CG 4.04Å; F899-I930 HydrophobicContact CE2-CD1 3.72Å; F899-I930 HydrophobicContact CZ-CD1 3.63Å
900H86.5Confident85.8Confident74 Ų7441.1 Ų41.134%0.34320%0.202SC..  trans-112.5162.9171.9-48.876.5000110.7T891 T898 D903T891-H900 VanDerWaalsContact CG2-CD2 3.4Å; T891-H900 WeakPolarHBondContact CG2-CD2 3.48Å; T898-H900 PolarHBondContact O-CE1 3.44Å; T898-H900 PolarHBondContact O-ND1 3.08Å; H900-D903 WeakPolarHBondContact CA-OD2 3.38Å; H900-D903 VanDerWaalsContact CB-OD2 3.31Å; H900-D903 WeakPolarHBondContact CB-OD2 3.48Å; H900-D903 IonicContact CG-OD2 2.7Å; H900-D903 PolarHBondContact N-OD2 2.79Å; H900-D903 IonicContact ND1-OD2 3.27Å; H900-D903 PolarHBondContact ND1-OD2 2.99Å; H900-D903 VanDerWaalsContact ND1-OD2 3.13Å; H900-D903 WeakPolarHBondContact O-CB 3.37Å; H900-D903 PolarHBondContact O-N 2.89Å
901I86.6Confident86.2Confident6 Ų641.8 Ų41.83%0.03121%0.205CC..THydrogen-bonded Turntrans-63.7139.3169.4-58.6175.1000109.3A703 K707 V853 P890 D903A703-I901 HydrophobicContact CB-CD1 4.07Å; A703-I901 HydrophobicContact CB-CG2 4.01Å; K707-I901 WeakPolarHBondContact CE-O 3.29Å; V853-I901 HydrophobicContact CG2-CG1 4.01Å; P890-I901 HydrophobicContact CB-CD1 3.98Å; P890-I901 HydrophobicContact CG-CD1 3.64Å; I901-D903 VanDerWaalsContact C-N 3.26Å; I901-D903 PolarHBondContact O-N 2.89Å
902F88.4Confident86.1Confident3 Ų342.1 Ų42.11%0.01321%0.206CC..THydrogen-bonded Turntrans69.59.4-175.3-44.3-56.1000116.6A703 K707 F731 F734 L737 L738 L741 V850A703-F902 HydrophobicContact CB-CE2 4Å; A703-F902 HydrophobicContact CB-CZ 3.96Å; A703-F902 WeakPolarHBondContact O-CE2 3.38Å; K707-F902 HydrophobicContact CG-CD2 3.99Å; F731-F902 HydrophobicContact CE1-CB 3.8Å; F731-F902 HydrophobicContact CZ-CB 4.29Å; F734-F902 HydrophobicContact CD2-CD2 4.05Å; F734-F902 HydrophobicContact CD2-CE2 4.29Å; F734-F902 HydrophobicContact CD2-CG 4.33Å; F734-F902 AromaticContact CE2-CD2 3.53Å; F734-F902 HydrophobicContact CE2-CD2 3.53Å; F734-F902 AromaticContact CE2-CE2 3.54Å; F734-F902 HydrophobicContact CE2-CE2 3.54Å; F734-F902 HydrophobicContact CE2-CG 4.25Å; F734-F902 HydrophobicContact CE2-CZ 4.29Å; F734-F902 HydrophobicContact CZ-CE2 4.31Å; L737-F902 HydrophobicContact CB-CD1 4.03Å; L737-F902 HydrophobicContact CB-CE1 3.84Å; L737-F902 HydrophobicContact CD1-CD1 3.92Å; L738-F902 HydrophobicContact CD2-CE2 4.22Å; L738-F902 HydrophobicContact CD2-CZ 3.77Å; L738-F902 HydrophobicContact CG-CZ 4.21Å; L741-F902 HydrophobicContact CD1-CE1 3.62Å; L741-F902 HydrophobicContact CD1-CZ 3.58Å; V850-F902 WeakPolarHBondContact O-CA 3.42Å; V850-F902 PolarHBondContact O-N 3.1Å
903D88.3Confident85.7Confident32 Ų3247.3 Ų47.317%0.17123%0.233CC..  trans-66.6142.6171.6-71.5-8.2000110.5K707 F849 V850 H900 I901K707-D903 IonicContact NZ-OD1 3.39Å; K707-D903 PolarHBondContact NZ-OD1 3.08Å; F849-D903 WeakPolarHBondContact CA-O 3.41Å; V850-D903 HydrophobicContact CG2-CB 4.48Å; V850-D903 PolarHBondContact N-O 3.47Å; H900-D903 WeakPolarHBondContact CA-OD2 3.38Å; H900-D903 VanDerWaalsContact CB-OD2 3.31Å; H900-D903 WeakPolarHBondContact CB-OD2 3.48Å; H900-D903 IonicContact CG-OD2 2.7Å; H900-D903 PolarHBondContact N-OD2 2.79Å; H900-D903 IonicContact ND1-OD2 3.27Å; H900-D903 PolarHBondContact ND1-OD2 2.99Å; H900-D903 VanDerWaalsContact ND1-OD2 3.13Å; H900-D903 WeakPolarHBondContact O-CB 3.37Å; H900-D903 PolarHBondContact O-N 2.89Å; I901-D903 VanDerWaalsContact C-N 3.26Å; I901-D903 PolarHBondContact O-N 2.89Å
904Q89.9Confident85.3Confident116 Ų11647.4 Ų47.454%0.54225%0.246SC..EExtended strand (participates in β ladder)trans-84.4127.1176.8-173.5172.232.900109.3G848 F849G848-Q904 WeakPolarHBondContact O-CA 3.47Å; F849-Q904 HydrophobicContact CD1-CB 4.31Å; F849-Q904 HydrophobicContact CE1-CB 4.14Å; F849-Q904 HydrophobicContact CE1-CG 4.25Å
905V91.4Very high85.1Confident5 Ų550.5 Ų50.53%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-128.5156.2178.4-65.40000110K847 G848 V850 V860 F899 V907 L925K847-V905 WeakPolarHBondContact CA-O 3.32Å; G848-V905 PolarHBondContact N-O 2.9Å; G848-V905 PolarHBondContact O-N 2.95Å; V850-V905 HydrophobicContact CG2-CG1 3.94Å; V850-V905 HydrophobicContact CG2-CG2 4.21Å; V860-V905 HydrophobicContact CB-CG2 4.37Å; V860-V905 HydrophobicContact CG1-CG2 3.58Å; V860-V905 HydrophobicContact CG2-CG2 3.78Å; F899-V905 HydrophobicContact CD1-CG1 4.32Å; F899-V905 HydrophobicContact CE1-CG1 4.08Å; V905-V907 HydrophobicContact CG2-CG1 4.14Å; V905-L925 HydrophobicContact CB-CD1 3.98Å; V905-L925 HydrophobicContact CG1-CD1 4.21Å
906K90.8Very high84.8Confident57 Ų5750.9 Ų50.925%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-111.1125.5171.9-165-177.5176.5-179.90108.5I926 E927K906-I926 HydrophobicContact CB-CB 4.44Å; K906-I926 HydrophobicContact CD-CD1 4.47Å; K906-I926 HydrophobicContact CG-CB 4.5Å; K906-I926 HydrophobicContact CG-CD1 4.21Å; K906-I926 WeakPolarHBondContact O-CB 3.36Å; K906-I926 PolarHBondContact O-N 3.23Å; K906-E927 HydrophobicContact CB-CB 3.84Å; K906-E927 HydrophobicContact CB-CG 4.38Å; K906-E927 VanDerWaalsContact CD-CD 3.47Å; K906-E927 HydrophobicContact CD-CG 4.21Å; K906-E927 VanDerWaalsContact CD-OE1 3.27Å; K906-E927 WeakPolarHBondContact CD-OE1 3.35Å; K906-E927 PolarHBondContact N-O 3.24Å; K906-E927 IonicContact NZ-OE1 2.71Å; K906-E927 PolarHBondContact NZ-OE1 2.83Å; K906-E927 PolarHBondContact O-N 3.04Å
907V90.2Very high84.5Confident0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-124.3145.1-174.9-63.70000110.8N845 E846 V860 I862 V871 V905 M923 A924 L925N845-V907 WeakPolarHBondContact CA-O 3.42Å; E846-V907 PolarHBondContact N-O 3.15Å; E846-V907 PolarHBondContact O-N 3.14Å; V860-V907 HydrophobicContact CG1-CG1 4.33Å; V860-V907 HydrophobicContact CG2-CG1 4.41Å; I862-V907 HydrophobicContact CD1-CG2 3.68Å; I862-V907 HydrophobicContact CG1-CG2 4.26Å; V871-V907 HydrophobicContact CG2-CG1 4.14Å; V905-V907 HydrophobicContact CG2-CG1 4.14Å; V907-M923 HydrophobicContact CG2-SD 4.2Å; V907-A924 CarbonylContact C-O 3.53Å; V907-A924 VanDerWaalsContact CA-O 3.23Å; V907-A924 WeakPolarHBondContact CA-O 3.43Å; V907-L925 HydrophobicContact CG1-CD1 4.48Å
908T88.5Confident84.1Confident11 Ų1141 Ų417%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-90130.6166-62.70000108.4I843 L844 N845 M923 A924 I926I843-T908 HydrophobicContact CG2-CG2 3.17Å; L844-T908 WeakPolarHBondContact O-CA 3.41Å; N845-T908 WeakPolarHBondContact OD1-CB 3.34Å; N845-T908 WeakPolarHBondContact OD1-CG2 3.42Å; N845-T908 PolarHBondContact OD1-OG1 3.39Å; T908-M923 WeakPolarHBondContact O-CA 3.19Å; T908-A924 PolarHBondContact N-O 3.37Å; T908-A924 PolarHBondContact O-N 2.87Å; T908-I926 WeakPolarHBondContact OG1-CD1 3.32Å; T908-I926 WeakPolarHBondContact OG1-CG1 3.34Å
909I87.5Confident83.8Confident0 Ų040.6 Ų40.60%022%0.215CC..EExtended strand (participates in β ladder)trans-103.6124.7176.2-47.7170.6000107.8F838 L844 I862 F865 L867 I921F838-I909 HydrophobicContact CD1-CG2 4.03Å; F838-I909 HydrophobicContact CD2-CG2 4.48Å; F838-I909 HydrophobicContact CE1-CB 4.22Å; F838-I909 HydrophobicContact CE1-CD1 3.86Å; F838-I909 HydrophobicContact CE1-CG2 3.82Å; F838-I909 HydrophobicContact CE2-CG2 4.31Å; F838-I909 HydrophobicContact CG-CG2 4.38Å; F838-I909 HydrophobicContact CZ-CD1 3.86Å; F838-I909 HydrophobicContact CZ-CG2 3.99Å; L844-I909 PolarHBondContact N-O 3.42Å; L844-I909 PolarHBondContact O-N 2.99Å; I862-I909 HydrophobicContact CD1-CD1 3.3Å; I862-I909 HydrophobicContact CD1-CG1 3.62Å; F865-I909 HydrophobicContact CD2-CD1 3.97Å; F865-I909 HydrophobicContact CE2-CD1 3.98Å; L867-I909 HydrophobicContact CD2-CG2 4.44Å; I909-I921 HydrophobicContact CG2-CG2 3.34Å
910S85.6Confident83.3Confident36 Ų3644.6 Ų44.625%0.25223%0.233SC..EExtended strand (participates in β ladder)trans-136.5156.1171.562.90000111R922S910-R922 PolarHBondContact N-O 2.86Å; S910-R922 PolarHBondContact O-N 2.9Å
911L84.8Confident83.1Confident35 Ų3542.7 Ų42.718%0.18322%0.224CC..EExtended strand (participates in β ladder)trans-86.2126.9170-170.569.7000108.5Q835 K839 Q919Q835-L911 HydrophobicContact CB-CD1 3.96Å; Q835-L911 HydrophobicContact CG-CD1 3.99Å; K839-L911 HydrophobicContact CB-CD2 3.94Å; K839-L911 HydrophobicContact CD-CD2 4.33Å; K839-L911 HydrophobicContact CG-CD2 4.11Å; L911-Q919 HydrophobicContact CD1-CB 4.19Å
912D81.5Confident83Confident29 Ų2948.7 Ų48.716%0.15525%0.247CC..EExtended strand (participates in β ladder)trans-96.6109168-179.61.6000107.9S914 Q919 K920 R922D912-S914 WeakPolarHBondContact OD1-CB 3.39Å; D912-S914 PolarHBondContact OD1-N 3.22Å; D912-S914 VanDerWaalsContact OD1-N 3.13Å; D912-S914 PolarHBondContact OD1-OG 3.22Å; D912-Q919 WeakPolarHBondContact O-CA 3.4Å; D912-K920 HydrophobicContact CB-CG 3.9Å; D912-K920 PolarHBondContact N-O 2.96Å; D912-K920 PolarHBondContact O-N 3.15Å; D912-K920 WeakPolarHBondContact OD2-CE 3.46Å; D912-K920 IonicContact OD2-NZ 2.77Å; D912-R922 HydrophobicContact CB-CB 4.28Å
913D75.8Confident83Confident109 Ų10948.8 Ų48.858%0.58325%0.247SC*.  trans-10311.2-178.964.1-12.6000113N915D913-N915 PolarHBondContact O-N 2.91Å
914S77.3Confident82.9Confident98 Ų9848.2 Ų48.269%0.68525%0.247SC*.SBendtrans-55.9-34.1177.956.90000113.4D912D912-S914 WeakPolarHBondContact OD1-CB 3.39Å; D912-S914 PolarHBondContact OD1-N 3.22Å; D912-S914 VanDerWaalsContact OD1-N 3.13Å; D912-S914 PolarHBondContact OD1-OG 3.22Å
915N76.6Confident82.7Confident64 Ų6442.8 Ų42.834%0.34222%0.222SC..SBendtrans-112.7106.4171-174-20.8000109.7D913 Q917 H918 Q919D913-N915 PolarHBondContact O-N 2.91Å; N915-Q917 PolarHBondContact O-N 3.36Å; N915-Q917 WeakPolarHBondContact OD1-CB 3.22Å; N915-Q917 PolarHBondContact OD1-N 3.46Å; N915-H918 CarbonylContact O-C 3.49Å; N915-H918 PolarHBondContact O-N 2.85Å; N915-H918 PolarHBondContact OD1-N 3.41Å; N915-Q919 PolarHBondContact O-N 2.84Å; N915-Q919 VanDerWaalsContact O-N 3.14Å
916I74.5Confident82.4Confident92 Ų9242.9 Ų42.947%0.47222%0.222SC..G310 helixtrans-54.6-38.1-179.5-59.5170.9000111.5M357 A421 H918M357-I916 HydrophobicContact CE-CB 4.31Å; M357-I916 HydrophobicContact CE-CG2 3.98Å; M357-I916 HydrophobicContact SD-CB 4.35Å; M357-I916 HydrophobicContact SD-CG2 4.09Å; A421-I916 HydrophobicContact CB-CG2 3.62Å; I916-H918 VanDerWaalsContact C-N 3.33Å; I916-H918 PolarHBondContact O-N 3.02Å
917Q72.9Confident81.9Confident12 Ų1244.5 Ų44.56%0.05623%0.23CC..G310 helixtrans-70.7-30.2-179.2169.5155.331.400113M357 T372 P373 A374 R395 N915M357-Q917 HydrophobicContact CG-CB 4.31Å; M357-Q917 HydrophobicContact SD-CB 3.7Å; T372-Q917 VanDerWaalsContact CG2-OE1 3.31Å; T372-Q917 PolarHBondContact O-NE2 3.32Å; T372-Q917 PolarHBondContact O-OE1 3.22Å; P373-Q917 PolarHBondContact O-NE2 3.1Å; P373-Q917 VanDerWaalsContact O-NE2 3.13Å; A374-Q917 VanDerWaalsContact CA-NE2 3.33Å; A374-Q917 VanDerWaalsContact N-NE2 3.12Å; R395-Q917 PolarHBondContact NH2-O 3.45Å; N915-Q917 PolarHBondContact O-N 3.36Å; N915-Q917 WeakPolarHBondContact OD1-CB 3.22Å; N915-Q917 PolarHBondContact OD1-N 3.46Å
918H74.4Confident81.4Confident37 Ų3746.2 Ų46.217%0.17124%0.241CC..G310 helixtrans-132.259.6-174.4-67.8-44000111.4A374 N915 I916 K920A374-H918 PolarHBondContact O-CE1 3.4Å; N915-H918 CarbonylContact O-C 3.49Å; N915-H918 PolarHBondContact O-N 2.85Å; N915-H918 PolarHBondContact OD1-N 3.41Å; I916-H918 VanDerWaalsContact C-N 3.33Å; I916-H918 PolarHBondContact O-N 3.02Å; H918-K920 PolarHBondContact O-N 3.24Å
919Q79.9Confident81Confident37 Ų3751.3 Ų51.317%0.17327%0.272CS..  trans-53.8127.5165.7-65.7179.916.900108.2Q835 L911 D912 N915Q835-Q919 PolarHBondContact NE2-O 2.78Å; L911-Q919 HydrophobicContact CD1-CB 4.19Å; D912-Q919 WeakPolarHBondContact O-CA 3.4Å; N915-Q919 PolarHBondContact O-N 2.84Å; N915-Q919 VanDerWaalsContact O-N 3.14Å
920K79Confident80.4Confident84 Ų8451.7 Ų51.737%0.36527%0.274SS..EExtended strand (participates in β ladder)trans-130.3146-177.565.8-177.1176.3-173.90109.6D912 H918 R922D912-K920 HydrophobicContact CB-CG 3.9Å; D912-K920 PolarHBondContact N-O 2.96Å; D912-K920 PolarHBondContact O-N 3.15Å; D912-K920 WeakPolarHBondContact OD2-CE 3.46Å; D912-K920 IonicContact OD2-NZ 2.77Å; H918-K920 PolarHBondContact O-N 3.24Å; K920-R922 PolarHBondContact O-N 3.43Å
921I82.2Confident79.4Confident33 Ų3355.4 Ų55.417%0.16930%0.298CS..EExtended strand (participates in β ladder)trans-79117.2170.6-61.4171000106.8T834 Q835 F838 L867 I909T834-I921 HydrophobicContact CG2-CD1 3.83Å; Q835-I921 HydrophobicContact CG-CD1 4.47Å; Q835-I921 HydrophobicContact CG-CG1 4.26Å; F838-I921 HydrophobicContact CD2-CD1 3.97Å; F838-I921 HydrophobicContact CE2-CD1 4.22Å; L867-I921 HydrophobicContact CD1-CD1 3.78Å; L867-I921 HydrophobicContact CD2-CD1 3.96Å; L867-I921 HydrophobicContact CD2-CG2 4.07Å; I909-I921 HydrophobicContact CG2-CG2 3.34Å
922R84.2Confident78.2Confident133 Ų13356.5 Ų56.550%0.50232%0.318SS..EExtended strand (participates in β ladder)trans-94.1131173.8-170.6174.8-177.2176.40.6108.2S910 D912 K920S910-R922 PolarHBondContact N-O 2.86Å; S910-R922 PolarHBondContact O-N 2.9Å; D912-R922 HydrophobicContact CB-CB 4.28Å; K920-R922 PolarHBondContact O-N 3.43Å
923M87.4Confident77.6Confident4 Ų456.6 Ų56.62%0.0232%0.319CS..EExtended strand (participates in β ladder)trans-107.9133.7170.1-66.6-171.5-175.600109.3V860 I862 L867 G869 V871 V907 T908V860-M923 HydrophobicContact CB-SD 4.49Å; I862-M923 HydrophobicContact CD1-CE 3.42Å; I862-M923 VanDerWaalsContact CD1-CE 3.42Å; I862-M923 HydrophobicContact CD1-SD 3.95Å; I862-M923 HydrophobicContact CG1-CE 3.99Å; I862-M923 HydrophobicContact CG1-SD 4.45Å; L867-M923 HydrophobicContact CD2-CE 3.47Å; L867-M923 VanDerWaalsContact CD2-CE 3.47Å; L867-M923 HydrophobicContact CG-CE 3.94Å; G869-M923 WeakPolarHBondContact CA-SD 3.22Å; V871-M923 HydrophobicContact CG2-CB 3.71Å; V907-M923 HydrophobicContact CG2-SD 4.2Å; T908-M923 WeakPolarHBondContact O-CA 3.19Å
924A85.7Confident77.4Confident21 Ų2152.3 Ų52.317%0.17430%0.298CS..EExtended strand (participates in β ladder)trans-121.4142.9173.300000109.9V907 T908 V935V907-A924 CarbonylContact C-O 3.53Å; V907-A924 VanDerWaalsContact CA-O 3.23Å; V907-A924 WeakPolarHBondContact CA-O 3.43Å; T908-A924 PolarHBondContact N-O 3.37Å; T908-A924 PolarHBondContact O-N 2.87Å; A924-V935 HydrophobicContact CB-CB 4.36Å; A924-V935 HydrophobicContact CB-CG2 3.63Å
925L86.4Confident77.3Confident2 Ų250.9 Ų50.91%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-75.4132.9-179.8-169.670000110.6V871 F873 F899 V905 V907 E927 P928 I930 S934 V935V871-L925 HydrophobicContact CG1-CB 4.25Å; F873-L925 HydrophobicContact CE1-CD2 4.37Å; F899-L925 HydrophobicContact CE1-CD2 4.18Å; F899-L925 HydrophobicContact CZ-CD2 3.61Å; V905-L925 HydrophobicContact CB-CD1 3.98Å; V905-L925 HydrophobicContact CG1-CD1 4.21Å; V907-L925 HydrophobicContact CG1-CD1 4.48Å; L925-E927 WeakPolarHBondContact CD1-O 3.23Å; L925-P928 HydrophobicContact CD2-CG 4.39Å; L925-P928 WeakPolarHBondContact CD2-O 3.4Å; L925-I930 HydrophobicContact CD2-CD1 4.08Å; L925-S934 CarbonylContact O-C 3.58Å; L925-S934 VanDerWaalsContact O-CA 3.24Å; L925-S934 WeakPolarHBondContact O-CA 3.18Å; L925-S934 WeakPolarHBondContact O-CB 3.31Å; L925-V935 PolarHBondContact O-N 2.94Å
926I84.3Confident76.9Confident7 Ų753 Ų534%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-104.4-56.3169.5-49.9176000109.3N845 K906 T908 A937N845-I926 HydrophobicContact CB-CD1 3.78Å; N845-I926 VanDerWaalsContact CG-CD1 3.45Å; N845-I926 VanDerWaalsContact OD1-CD1 3.24Å; N845-I926 WeakPolarHBondContact OD1-CD1 3.38Å; K906-I926 HydrophobicContact CB-CB 4.44Å; K906-I926 HydrophobicContact CD-CD1 4.47Å; K906-I926 HydrophobicContact CG-CB 4.5Å; K906-I926 HydrophobicContact CG-CD1 4.21Å; K906-I926 WeakPolarHBondContact O-CB 3.36Å; K906-I926 PolarHBondContact O-N 3.23Å; T908-I926 WeakPolarHBondContact OG1-CD1 3.32Å; T908-I926 WeakPolarHBondContact OG1-CG1 3.34Å; I926-A937 HydrophobicContact CG2-CB 4.19Å
927E80.3Confident76.2Confident90 Ų9051.3 Ų51.342%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-125.2131.6-179.2-66.1162.4-149.200109.1K906 L925K906-E927 HydrophobicContact CB-CB 3.84Å; K906-E927 HydrophobicContact CB-CG 4.38Å; K906-E927 VanDerWaalsContact CD-CD 3.47Å; K906-E927 HydrophobicContact CD-CG 4.21Å; K906-E927 VanDerWaalsContact CD-OE1 3.27Å; K906-E927 WeakPolarHBondContact CD-OE1 3.35Å; K906-E927 PolarHBondContact N-O 3.24Å; K906-E927 IonicContact NZ-OE1 2.71Å; K906-E927 PolarHBondContact NZ-OE1 2.83Å; K906-E927 PolarHBondContact O-N 3.04Å; L925-E927 WeakPolarHBondContact CD1-O 3.23Å
928P81.6Confident75.4Confident36 Ų3653.6 Ų53.623%0.23432%0.318CS..SBendcis-68.3150.62.329.2-36.8000113.8F899 L925 I930 S934F899-P928 HydrophobicContact CE1-CG 3.91Å; F899-P928 HydrophobicContact CZ-CG 4.04Å; L925-P928 HydrophobicContact CD2-CG 4.39Å; L925-P928 WeakPolarHBondContact CD2-O 3.4Å; P928-I930 PolarHBondContact O-N 3.01Å; P928-S934 PolarHBondContact O-OG 2.94Å
929V78.8Confident74Confident118 Ų11861 Ų6172%0.71535%0.352SS*.  trans-80.1109.6179-177.80000109
930I75.9Confident72.1Confident8 Ų863.9 Ų63.94%0.04138%0.382CS..  trans-110.8119.2177.1-58.5175.5000107.7V894 E895 H897 F899 L925 P928 G932 V933 S934V894-I930 HydrophobicContact CB-CD1 4.32Å; V894-I930 HydrophobicContact CG1-CD1 4.44Å; V894-I930 HydrophobicContact CG1-CG2 4.45Å; E895-I930 HydrophobicContact CB-CG2 4.44Å; E895-I930 HydrophobicContact CG-CG2 4.44Å; H897-I930 HydrophobicContact CB-CD1 3.9Å; H897-I930 HydrophobicContact CB-CG1 4.23Å; F899-I930 HydrophobicContact CE2-CD1 3.72Å; F899-I930 HydrophobicContact CZ-CD1 3.63Å; L925-I930 HydrophobicContact CD2-CD1 4.08Å; P928-I930 PolarHBondContact O-N 3.01Å; I930-G932 PolarHBondContact O-N 3.4Å; I930-V933 HydrophobicContact CB-CB 4.07Å; I930-V933 HydrophobicContact CG2-CB 3.94Å; I930-V933 HydrophobicContact CG2-CG2 4.07Å; I930-V933 PolarHBondContact O-N 3.2Å; I930-V933 VanDerWaalsContact O-N 3.12Å; I930-S934 PolarHBondContact N-OG 2.9Å; I930-S934 PolarHBondContact O-N 3.15Å
931P63.8Low70.1Confident115 Ų11568.4 Ų68.475%0.74741%0.405SS*.THydrogen-bonded Turntrans-53.8131179.4-26.334.5000112.2V933P931-V933 PolarHBondContact O-N 3.23Å
932G60.3Low67.8Low58 Ų5872.6 Ų72.660%0.59843%0.434SS*.THydrogen-bonded Turntrans84-21.518000000115.4K878 I930K878-G932 PolarHBondContact NZ-O 3.47Å; I930-G932 PolarHBondContact O-N 3.4Å
933V67.6Low65.6Low30 Ų3075.4 Ų75.418%0.18245%0.453CS..THydrogen-bonded Turntrans-109.5-47.7-172.3174.60000112.8F873 P881 V894 I930 P931F873-V933 HydrophobicContact CD1-CG1 3.48Å; F873-V933 VanDerWaalsContact CD1-CG1 3.48Å; F873-V933 HydrophobicContact CE1-CG1 3.98Å; P881-V933 HydrophobicContact CB-CG2 4.01Å; P881-V933 HydrophobicContact CG-CG2 4.04Å; V894-V933 HydrophobicContact CG1-CG2 4.27Å; I930-V933 HydrophobicContact CB-CB 4.07Å; I930-V933 HydrophobicContact CG2-CB 3.94Å; I930-V933 HydrophobicContact CG2-CG2 4.07Å; I930-V933 PolarHBondContact O-N 3.2Å; I930-V933 VanDerWaalsContact O-N 3.12Å; P931-V933 PolarHBondContact O-N 3.23Å
934S72.1Confident63.1Low20 Ų2079.7 Ų79.714%0.1449%0.489CS..SBendtrans-76.4144.6-178.5-56.40000111.8L925 P928 I930L925-S934 CarbonylContact O-C 3.58Å; L925-S934 VanDerWaalsContact O-CA 3.24Å; L925-S934 WeakPolarHBondContact O-CA 3.18Å; L925-S934 WeakPolarHBondContact O-CB 3.31Å; P928-S934 PolarHBondContact O-OG 2.94Å; I930-S934 PolarHBondContact N-OG 2.9Å; I930-S934 PolarHBondContact O-N 3.15Å
935V75.6Confident60.6Low67 Ų6788.3 Ų88.341%0.40652%0.523SS..PPolyproline II helixtrans-91.9135.8178-175.70000108.8A924 L925 A937A924-V935 HydrophobicContact CB-CB 4.36Å; A924-V935 HydrophobicContact CB-CG2 3.63Å; L925-V935 PolarHBondContact O-N 2.94Å; V935-A937 PolarHBondContact O-N 3.21Å
936P68Low58.3Low110 Ų11098 Ų9871%0.71457%0.565SS**PPolyproline II helixtrans-59139.7173.723.6-32.3000110P938P936-P938 WeakPolarHBondContact O-CD 3.38Å; P936-P938 VanDerWaalsContact O-N 3.17Å
937A60.3Low55.9Low56 Ų56108.7 Ų108.746%0.46361%0.605SS.*PPolyproline II helixtrans-59.3121.5174.600000108.6I926 V935 E939I926-A937 HydrophobicContact CG2-CB 4.19Å; V935-A937 PolarHBondContact O-N 3.21Å; A937-E939 PolarHBondContact O-N 3.17Å
938P56.7Low53.8Low60 Ų60113.6 Ų113.639%0.3963%0.625SS.*PPolyproline II helixtrans-59.5132.5175.221.1-29.7000109.1I843 P936 A940I843-P938 HydrophobicContact CG2-CG 4.13Å; P936-P938 WeakPolarHBondContact O-CD 3.38Å; P936-P938 VanDerWaalsContact O-N 3.17Å; P938-A940 PolarHBondContact O-N 3.35Å
939E43.8Very low51.7Low191 Ų191119.9 Ų119.989%0.89366%0.656SS**PPolyproline II helixtrans-57.4124.7173.3-71.9-175166.400108.2A937 E941A937-E939 PolarHBondContact O-N 3.17Å; E939-E941 PolarHBondContact O-N 3.04Å
940A40.4Very low49.8Very low98 Ų98121.3 Ų121.381%0.8166%0.659SS**  trans-66.4104178.900000108.9P938P938-A940 PolarHBondContact O-N 3.35Å
941E36.3Very low47.8Very low179 Ų179136.2 Ų136.284%0.83672%0.715SS**  trans-58.9126.7162.3-78.4-169.4165.200107.8E939 Q943E939-E941 PolarHBondContact O-N 3.04Å; E941-Q943 PolarHBondContact O-N 2.87Å; E941-Q943 VanDerWaalsContact O-N 3.11Å
942P35.1Very low47Very low122 Ų122137.3 Ų137.379%0.79271%0.713SS**  trans-62.1120.5-178.922.8-30.1000108.8A944P942-A944 PolarHBondContact O-N 2.7Å
943Q37.5Very low46.3Very low191 Ų191141.4 Ų141.489%0.89372%0.719SS**  trans-48.6112.9172-75.7-177.9-9.900109E941 K945E941-Q943 PolarHBondContact O-N 2.87Å; E941-Q943 VanDerWaalsContact O-N 3.11Å; Q943-K945 PolarHBondContact O-N 3.1Å
944A35Very low45.2Very low95 Ų95147.6 Ų147.679%0.78575%0.749SS**  trans-56.3113169.400000107.4P942 K946P942-A944 PolarHBondContact O-N 2.7Å; A944-K946 PolarHBondContact O-N 3.29Å
945K33.4Very low43.6Very low202 Ų202155.1 Ų155.188%0.87879%0.785SS**  trans-49.5108.6171.8-80.2177.4174.6174.50107.9Q943 R947Q943-K945 PolarHBondContact O-N 3.1Å; K945-R947 PolarHBondContact O-N 2.87Å; K945-R947 VanDerWaalsContact O-N 3.09Å
946K38.2Very low41.6Very low204 Ų204160.6 Ų160.689%0.88781%0.809SS**  trans-52.1120.5161.1-86.5-176.8174.4-179.50106.3A944 K948A944-K946 PolarHBondContact O-N 3.29Å; K946-K948 PolarHBondContact O-N 3.43Å
947R32.8Very low39.8Very low232 Ų232164 Ų16488%0.87582%0.815SS**  trans-52.4125.7174.5-85.2177.9164.4178.4-4.9107.6K945 L949K945-R947 PolarHBondContact O-N 2.87Å; K945-R947 VanDerWaalsContact O-N 3.09Å; R947-L949 PolarHBondContact O-N 3.34Å
948K35.8Very low38.4Very low193 Ų193171.7 Ų171.784%0.83984%0.84SS**  trans-52111.7159.6-80.4-177.1170.6-173.40106.6K946 D950K946-K948 PolarHBondContact O-N 3.43Å; K948-D950 PolarHBondContact O-N 2.97Å
949L38.4Very low36.9Very low169 Ų169180.3 Ų180.389%0.88588%0.875SS**  trans-76101.7159.9-95.7130.1000105.5R947 R951R947-L949 PolarHBondContact O-N 3.34Å; L949-R951 PolarHBondContact O-N 3.4Å
950D38.6Very low36.4Very low147 Ų147179.4 Ų179.479%0.78687%0.873SS**  trans-66.2110157.4-79.4-28.5000107.4K948K948-D950 PolarHBondContact O-N 2.97Å
951R34.8Very low36Very low321 Ų321186.8 Ų186.8100%1.21188%0.879SS**  trans-172.40136.7-104173.3-172.1-1611.4111.7L949L949-R951 PolarHBondContact O-N 3.4Å

Retrieved 951 of 951 residues in 179.1 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).