A0A087X5B2_POEFO Loading...

Heat shock 70 kDa protein 14

Component of the ribosome-associated complex (RAC), a complex involved in folding or maintaining nascent polypeptides in a folding-competent state. In the RAC complex, binds to the nascent polypeptide chain, while DNAJC2 stimulates its ATPase activity.

AlphaFold DB , UniProt , Accession A0A087X5B2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 510 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.1Very low74.4Confident242 Ų24268 Ų68100%1.19236%0.358SS*.  0107.90-83.1172.3168.300106.8S3M1-S3 PolarHBondContact O-N 3.29Å; M1-S3 VanDerWaalsContact O-N 3.14Å
2F36Very low76.3Confident215 Ų21562.4 Ų62.494%0.94333%0.329SS*.  trans-66.8111.6169.3-72.9-82.5000106.5S4F2-S4 PolarHBondContact O-N 2.94Å; F2-S4 VanDerWaalsContact O-N 3.12Å
3S45.1Very low77.8Confident109 Ų10958.2 Ų58.276%0.76231%0.309SS*.  trans-51.9119.3164.8174.70000106.7M1 M5M1-S3 PolarHBondContact O-N 3.29Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-M5 PolarHBondContact O-N 2.6Å
4S56.2Low79Confident64 Ų6455.4 Ų55.445%0.44829%0.292SS..  trans-62.9106.6177.856.60000107.9F2 S6F2-S4 PolarHBondContact O-N 2.94Å; F2-S4 VanDerWaalsContact O-N 3.12Å; S4-S6 PolarHBondContact O-N 3.13Å; S4-S6 PolarHBondContact O-OG 2.85Å
5M75.4Confident80.2Confident90 Ų9054.2 Ų54.244%0.44329%0.288SS..  trans-52.8104.6178.2-74.3177.9171.300109.1S3 V383S3-M5 PolarHBondContact O-N 2.6Å; M5-V383 HydrophobicContact CB-CG1 4.2Å; M5-V383 HydrophobicContact CG-CG1 4.22Å
6S89.8Confident81.2Confident9 Ų953.3 Ų53.36%0.06329%0.287CS..  trans-121.3136.3-177.5-55.70000108S4 F22 V140S4-S6 PolarHBondContact O-N 3.13Å; S4-S6 PolarHBondContact O-OG 2.85Å; S6-F22 WeakPolarHBondContact CA-O 3.22Å; S6-V140 VanDerWaalsContact O-CG1 3.3Å; S6-V140 WeakPolarHBondContact O-CG1 3.25Å
7A93.7Very high82.2Confident0 Ų050.3 Ų50.30%027%0.271CS..EExtended strand (participates in β ladder)trans-143.6161.5-179.300000110.1V21 F22 A379 V383A7-V21 WeakPolarHBondContact O-CA 3.36Å; A7-F22 HydrophobicContact CB-CB 4.46Å; A7-F22 PolarHBondContact N-O 2.94Å; A7-F22 PolarHBondContact O-N 3Å; A7-A379 HydrophobicContact CB-CB 3.54Å; A7-V383 HydrophobicContact CB-CB 4.49Å; A7-V383 HydrophobicContact CB-CG2 3.83Å
8I97.9Very high83.1Confident0 Ų047.7 Ų47.70%026%0.257CS..EExtended strand (participates in β ladder)trans-118131.3-172.7-58.4170.5000110.4I10 V19 A20 A132 L136 V140 D142 T143 V144 F168I8-I10 HydrophobicContact CG2-CD1 4.19Å; I8-I10 HydrophobicContact CG2-CG1 3.83Å; I8-V19 HydrophobicContact CG2-CG2 3.53Å; I8-A20 WeakPolarHBondContact CA-O 3.17Å; I8-A132 HydrophobicContact CD1-CB 3.67Å; I8-A132 HydrophobicContact CG1-CB 4.13Å; I8-A132 HydrophobicContact CG2-CB 4.24Å; I8-L136 HydrophobicContact CG1-CD1 4.35Å; I8-V140 HydrophobicContact CD1-CG1 4.11Å; I8-V140 WeakPolarHBondContact CD1-O 3.15Å; I8-V140 HydrophobicContact CG1-CG1 4.09Å; I8-D142 PolarHBondContact N-O 2.76Å; I8-T143 CarbonylContact O-C 3.56Å; I8-T143 WeakPolarHBondContact O-CA 3.31Å; I8-T143 WeakPolarHBondContact O-CB 3.48Å; I8-T143 PolarHBondContact O-OG1 3.45Å; I8-V144 PolarHBondContact O-N 3.24Å; I8-F168 HydrophobicContact CD1-CE1 3.95Å; I8-F168 HydrophobicContact CG2-CE1 4.33Å
9G98.3Very high83.9Confident0 Ų045.3 Ų45.30%025%0.245CC..EExtended strand (participates in β ladder)trans-107128.1169.500000111.3V19 A20G9-V19 WeakPolarHBondContact O-CA 3.25Å; G9-A20 PolarHBondContact N-O 2.73Å; G9-A20 PolarHBondContact O-N 2.81Å
10I98.6Very high84.6Confident0 Ų043.1 Ų43.10%023%0.232CC..EExtended strand (participates in β ladder)trans-120.4125-179.2-55.4177.8000111.3I8 V19 F125 M128 V144 T146 F168I8-I10 HydrophobicContact CG2-CD1 4.19Å; I8-I10 HydrophobicContact CG2-CG1 3.83Å; I10-V19 HydrophobicContact CG1-CG2 4.19Å; I10-F125 HydrophobicContact CD1-CD1 4.12Å; I10-F125 HydrophobicContact CD1-CE1 4.34Å; I10-F125 HydrophobicContact CG2-CD1 4.32Å; I10-F125 HydrophobicContact CG2-CE1 3.92Å; I10-M128 HydrophobicContact CD1-CB 4.3Å; I10-M128 HydrophobicContact CG2-CG 4.37Å; I10-V144 PolarHBondContact N-O 2.86Å; I10-T146 PolarHBondContact O-N 2.56Å; I10-T146 PolarHBondContact O-OG1 2.79Å; I10-F168 HydrophobicContact CD1-CD1 4.34Å; I10-F168 HydrophobicContact CD1-CD2 4.21Å; I10-F168 HydrophobicContact CD1-CE1 3.75Å; I10-F168 HydrophobicContact CD1-CE2 3.57Å; I10-F168 HydrophobicContact CD1-CZ 3.31Å
11H98.3Very high85.2Confident19 Ų1941.7 Ų41.79%0.08823%0.226CC..EExtended strand (participates in β ladder)trans-105.796.8162.8-176.451.4000110.8G13 A17 C18 T146 E176 K201 I371 A372H11-G13 PolarHBondContact O-N 3.49Å; H11-A17 CarbonylContact O-C 3.5Å; H11-A17 VanDerWaalsContact O-CA 3.24Å; H11-A17 WeakPolarHBondContact O-CA 3.47Å; H11-C18 HydrophobicContact CB-CB 4.49Å; H11-C18 PolarHBondContact N-O 2.84Å; H11-C18 PolarHBondContact O-N 2.7Å; H11-T146 VanDerWaalsContact CA-OG1 3.32Å; H11-T146 WeakPolarHBondContact CA-OG1 3.26Å; H11-T146 PolarHBondContact ND1-OG1 2.98Å; H11-E176 IonicContact CE1-OE1 3.55Å; H11-E176 PolarHBondContact CE1-OE1 3.48Å; H11-E176 VanDerWaalsContact CE1-OE1 3.26Å; H11-E176 IonicContact ND1-OE1 3.83Å; H11-K201 PolarHBondContact CE1-NZ 3.35Å; H11-I371 HydrophobicContact CB-CB 4.18Å; H11-I371 HydrophobicContact CB-CG2 3.95Å; H11-I371 WeakPolarHBondContact ND1-CG2 3.33Å; H11-A372 HydrophobicContact CB-CB 3.95Å
12F97.6Very high88.3Confident1 Ų131.9 Ų31.90%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-8796168.3-176.6-178.3000108.6A17 A41 V71 K72 A121 I124 F125 L159F12-A17 HydrophobicContact CD2-CB 4.32Å; F12-A41 HydrophobicContact CD2-CB 4.37Å; F12-A41 HydrophobicContact CE2-CB 3.75Å; F12-V71 HydrophobicContact CZ-CG1 3.97Å; F12-K72 HydrophobicContact CD2-CD 4.3Å; F12-K72 HydrophobicContact CE2-CB 4.11Å; F12-K72 HydrophobicContact CG-CD 4.32Å; F12-K72 HydrophobicContact CZ-CB 4.12Å; F12-K72 WeakPolarHBondContact O-CD 3.36Å; F12-K72 VanDerWaalsContact O-CE 3.28Å; F12-K72 WeakPolarHBondContact O-CE 3.45Å; F12-K72 PolarHBondContact O-NZ 3.2Å; F12-A121 HydrophobicContact CE1-CB 3.89Å; F12-I124 HydrophobicContact CD2-CG2 4.23Å; F12-I124 HydrophobicContact CE1-CB 4.42Å; F12-I124 HydrophobicContact CE1-CD1 4.32Å; F12-I124 HydrophobicContact CE1-CG2 4.32Å; F12-I124 HydrophobicContact CE2-CD1 3.85Å; F12-I124 HydrophobicContact CE2-CG2 4.07Å; F12-I124 HydrophobicContact CG-CG2 4.5Å; F12-I124 HydrophobicContact CZ-CB 4.27Å; F12-I124 HydrophobicContact CZ-CD1 3.46Å; F12-I124 VanDerWaalsContact CZ-CD1 3.46Å; F12-I124 HydrophobicContact CZ-CG1 4.46Å; F12-I124 HydrophobicContact CZ-CG2 4.12Å; F12-F125 HydrophobicContact CB-CE1 4.49Å; F12-F125 HydrophobicContact CB-CZ 4.33Å; F12-F125 HydrophobicContact CD1-CD2 4.35Å; F12-F125 HydrophobicContact CD1-CE1 4.43Å; F12-F125 AromaticContact CD1-CE2 3.73Å; F12-F125 HydrophobicContact CD1-CE2 3.73Å; F12-F125 AromaticContact CD1-CZ 3.77Å; F12-F125 HydrophobicContact CD1-CZ 3.77Å; F12-F125 HydrophobicContact CE1-CE2 4.22Å; F12-L159 HydrophobicContact CD1-CD1 3.72Å; F12-L159 HydrophobicContact CE1-CD1 4.21Å
13G95.3Very high90.7Very high7 Ų725.6 Ų25.67%0.07215%0.148CC..  trans-80.9-179.8173.400000113.4H11 C16H11-G13 PolarHBondContact O-N 3.49Å; G13-C16 CarbonylContact C-O 3.52Å; G13-C16 WeakPolarHBondContact CA-O 3.32Å; G13-C16 PolarHBondContact N-O 3.14Å
14Y94.9Very high92.6Very high20 Ų2028 Ų288%0.07815%0.148CC..SBendtrans-69.3-37.1178.7-67.8-68.6000113.4K70 K72 Q73 F151 T205Y14-K70 WeakPolarHBondContact O-CA 3.39Å; Y14-K72 HydrophobicContact CD1-CB 3.98Å; Y14-K72 HydrophobicContact CD1-CG 4.23Å; Y14-K72 HydrophobicContact CE1-CB 4.39Å; Y14-K72 HydrophobicContact CE1-CG 4.23Å; Y14-Q73 HydrophobicContact CD1-CB 4.37Å; Y14-Q73 HydrophobicContact CD1-CG 3.44Å; Y14-Q73 VanDerWaalsContact CD1-CG 3.44Å; Y14-Q73 HydrophobicContact CE1-CB 4.41Å; Y14-Q73 HydrophobicContact CE1-CG 3.77Å; Y14-Q73 HydrophobicContact CG-CG 4.28Å; Y14-F151 WeakPolarHBondContact OH-CE1 3.41Å; Y14-T205 VanDerWaalsContact CB-OG1 3.24Å; Y14-T205 WeakPolarHBondContact CB-OG1 3.21Å; Y14-T205 WeakPolarHBondContact CD2-OG1 3.21Å
15T96.2Very high93.8Very high37 Ų3727.6 Ų27.623%0.22715%0.154CC..SBendtrans-106.8-23.6-176.655.20000113.5A41 T205T15-A41 PolarHBondContact O-N 3.01Å; T15-T205 HydrophobicContact CG2-CG2 3.71Å
16C96.7Very high94.3Very high40 Ų4033.1 Ų33.127%0.2717%0.17SC..EExtended strand (participates in β ladder)trans-145.1155.5-175.2-55.50000110.5G13 V38 T39G13-C16 CarbonylContact C-O 3.52Å; G13-C16 WeakPolarHBondContact CA-O 3.32Å; G13-C16 PolarHBondContact N-O 3.14Å; C16-V38 HydrophobicContact CB-CG1 3.39Å; C16-T39 CarbonylContact C-O 3.58Å; C16-T39 VanDerWaalsContact CA-O 3.27Å; C16-T39 WeakPolarHBondContact CA-O 3.42Å
17A98Very high94.5Very high2 Ų233.7 Ų33.72%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-115.6147.1167.400000110.2H11 F12 T39 I124 M128H11-A17 CarbonylContact O-C 3.5Å; H11-A17 VanDerWaalsContact O-CA 3.24Å; H11-A17 WeakPolarHBondContact O-CA 3.47Å; F12-A17 HydrophobicContact CD2-CB 4.32Å; A17-T39 PolarHBondContact N-O 2.68Å; A17-T39 PolarHBondContact O-N 2.67Å; A17-I124 HydrophobicContact CB-CG2 3.88Å; A17-M128 HydrophobicContact CB-CE 4.26Å; A17-M128 HydrophobicContact CB-CG 4.09Å; A17-M128 HydrophobicContact CB-SD 3.63Å
18C98.1Very high94.5Very high3 Ų338 Ų382%0.0220%0.198CC..EExtended strand (participates in β ladder)trans-135.1139.8177.9-176.30000108.5H11 V29 R37 V38 A372H11-C18 HydrophobicContact CB-CB 4.49Å; H11-C18 PolarHBondContact N-O 2.84Å; H11-C18 PolarHBondContact O-N 2.7Å; C18-V29 VanDerWaalsContact SG-CG1 3.51Å; C18-V29 VanDerWaalsContact SG-CG2 3.55Å; C18-R37 PolarHBondContact SG-O 3.34Å; C18-V38 HydrophobicContact CB-CG2 4.41Å; C18-A372 HydrophobicContact CB-CB 4.01Å
19V98.3Very high94.5Very high3 Ų338 Ų382%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-127.3129.6-179.257.70000109.5I8 G9 I10 V29 V30 M128 T131 A132I8-V19 HydrophobicContact CG2-CG2 3.53Å; G9-V19 WeakPolarHBondContact O-CA 3.25Å; I10-V19 HydrophobicContact CG1-CG2 4.19Å; V19-V29 WeakPolarHBondContact O-CA 3.43Å; V19-V30 HydrophobicContact CG1-CG2 3.75Å; V19-V30 PolarHBondContact O-N 3.06Å; V19-V30 VanDerWaalsContact O-N 3.11Å; V19-M128 HydrophobicContact CB-CB 4.32Å; V19-M128 HydrophobicContact CB-SD 3.98Å; V19-M128 HydrophobicContact CG1-SD 3.91Å; V19-T131 HydrophobicContact CG1-CG2 3.8Å; V19-A132 HydrophobicContact CG2-CB 3.94Å
20A98.1Very high94.4Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-117.3150.4174.500000110.1I8 G9 D28 V29 A372 A376I8-A20 WeakPolarHBondContact CA-O 3.17Å; G9-A20 PolarHBondContact N-O 2.73Å; G9-A20 PolarHBondContact O-N 2.81Å; A20-D28 CarbonylContact C-O 3.5Å; A20-D28 WeakPolarHBondContact CA-O 3.44Å; A20-D28 WeakPolarHBondContact CB-O 3.44Å; A20-V29 HydrophobicContact CB-CG2 3.92Å; A20-A372 HydrophobicContact CB-CB 4.09Å; A20-A372 WeakPolarHBondContact CB-O 3.3Å; A20-A376 HydrophobicContact CB-CB 3.7Å
21V96.9Very high94.4Very high15 Ų1541.3 Ų41.39%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-116.3136.7175.9-56.80000109A7 A27 D28 V30 A132 L136A7-V21 WeakPolarHBondContact O-CA 3.36Å; V21-A27 WeakPolarHBondContact O-CA 3.42Å; V21-D28 PolarHBondContact N-O 2.94Å; V21-D28 PolarHBondContact O-N 3.48Å; V21-V30 HydrophobicContact CB-CG1 4.31Å; V21-V30 HydrophobicContact CG1-CG1 3.81Å; V21-V30 HydrophobicContact CG1-CG2 4.24Å; V21-V30 HydrophobicContact CG2-CG1 3.57Å; V21-A132 HydrophobicContact CG1-CB 4.27Å; V21-L136 HydrophobicContact CB-CD1 4.28Å; V21-L136 HydrophobicContact CB-CD2 3.99Å; V21-L136 HydrophobicContact CB-CG 4.2Å; V21-L136 HydrophobicContact CG1-CD1 3.93Å; V21-L136 HydrophobicContact CG1-CD2 4.28Å; V21-L136 HydrophobicContact CG1-CG 3.93Å; V21-L136 HydrophobicContact CG2-CD2 4.13Å
22F94.1Very high94.3Very high36 Ų3641 Ų4116%0.15822%0.223CC..EExtended strand (participates in β ladder)trans-96.6123.7169.1-177.8-92.6000108.6S6 A7 G25 R26 A27 A376 G380S6-F22 WeakPolarHBondContact CA-O 3.22Å; A7-F22 HydrophobicContact CB-CB 4.46Å; A7-F22 PolarHBondContact N-O 2.94Å; A7-F22 PolarHBondContact O-N 3Å; F22-G25 VanDerWaalsContact CZ-CA 3.5Å; F22-R26 CarbonylContact C-O 3.5Å; F22-R26 VanDerWaalsContact CA-O 3.28Å; F22-R26 WeakPolarHBondContact CA-O 3.39Å; F22-A27 HydrophobicContact CD2-CB 4.24Å; F22-A376 HydrophobicContact CB-CB 4.35Å; F22-A376 WeakPolarHBondContact CB-O 3.46Å; F22-G380 VanDerWaalsContact CD1-CA 3.46Å
23K87.9Confident94.1Very high82 Ų8247.2 Ų47.236%0.35726%0.256SS..EExtended strand (participates in β ladder)trans-151.3138176.1-174.2175.1178-1790109G25 R26 L136K23-G25 VanDerWaalsContact C-N 3.26Å; K23-G25 PolarHBondContact O-N 3.05Å; K23-R26 PolarHBondContact N-O 3.16Å; K23-R26 PolarHBondContact O-N 2.66Å; K23-R26 VanDerWaalsContact O-O 3.09Å; K23-L136 HydrophobicContact CD-CD2 4.27Å
24E83.9Confident94Very high160 Ų16049.7 Ų49.775%0.74828%0.276SS*.THydrogen-bonded Turntrans54.739.4176-67165.1-153.200113.5R26E24-R26 VanDerWaalsContact C-N 3.26Å; E24-R26 PolarHBondContact O-N 3.49Å
25G80.8Confident93.9Very high56 Ų5651.4 Ų51.458%0.57730%0.299SS*.THydrogen-bonded Turntrans78.44.1178.100000114.8F22 K23F22-G25 VanDerWaalsContact CZ-CA 3.5Å; K23-G25 VanDerWaalsContact C-N 3.26Å; K23-G25 PolarHBondContact O-N 3.05Å
26R87Confident93.9Very high206 Ų20653.2 Ų53.278%0.77731%0.307SS*.EExtended strand (participates in β ladder)trans-122.5141.9-179.2-63.1-176.2179-176.1-0.1110.8F22 K23 E24F22-R26 CarbonylContact C-O 3.5Å; F22-R26 VanDerWaalsContact CA-O 3.28Å; F22-R26 WeakPolarHBondContact CA-O 3.39Å; K23-R26 PolarHBondContact N-O 3.16Å; K23-R26 PolarHBondContact O-N 2.66Å; K23-R26 VanDerWaalsContact O-O 3.09Å; E24-R26 VanDerWaalsContact C-N 3.26Å; E24-R26 PolarHBondContact O-N 3.49Å
27A93.2Very high93.9Very high21 Ų2155.4 Ų55.417%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-106.2129.5169.800000109.5V21 F22 V373 A376 M377V21-A27 WeakPolarHBondContact O-CA 3.42Å; F22-A27 HydrophobicContact CD2-CB 4.24Å; A27-V373 HydrophobicContact CB-CG1 3.95Å; A27-A376 HydrophobicContact CB-CB 3.86Å; A27-M377 HydrophobicContact CB-CG 3.54Å
28D94.7Very high93.8Very high89 Ų8956.8 Ų56.848%0.47632%0.318SS..EExtended strand (participates in β ladder)trans-140.8145.8175.5-165.511.5000111A20 V21 R37A20-D28 CarbonylContact C-O 3.5Å; A20-D28 WeakPolarHBondContact CA-O 3.44Å; A20-D28 WeakPolarHBondContact CB-O 3.44Å; V21-D28 PolarHBondContact N-O 2.94Å; V21-D28 PolarHBondContact O-N 3.48Å; D28-R37 IonicContact OD1-CZ 2.83Å; D28-R37 IonicContact OD1-NH1 3.25Å; D28-R37 IonicContact OD1-NH2 3.96Å; D28-R37 PolarHBondContact OD1-NH2 3.37Å
29V97.5Very high93.8Very high2 Ų256.9 Ų56.91%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-73.5139173.41700000109.6C18 V19 A20 R37 E369 A372 V373C18-V29 VanDerWaalsContact SG-CG1 3.51Å; C18-V29 VanDerWaalsContact SG-CG2 3.55Å; V19-V29 WeakPolarHBondContact O-CA 3.43Å; A20-V29 HydrophobicContact CB-CG2 3.92Å; V29-R37 HydrophobicContact CG1-CB 3.74Å; V29-R37 HydrophobicContact CG1-CG 4.3Å; V29-R37 WeakPolarHBondContact CG1-O 3.16Å; V29-R37 VanDerWaalsContact O-CZ 3.23Å; V29-R37 PolarHBondContact O-NH1 2.73Å; V29-R37 PolarHBondContact O-NH2 3.15Å; V29-E369 HydrophobicContact CB-CB 4.46Å; V29-E369 HydrophobicContact CB-CG 4.22Å; V29-E369 HydrophobicContact CG1-CG 4.3Å; V29-E369 HydrophobicContact CG2-CB 3.69Å; V29-E369 HydrophobicContact CG2-CG 3.91Å; V29-A372 HydrophobicContact CG2-CB 4.29Å; V29-V373 HydrophobicContact CG2-CG2 3.91Å
30V97.2Very high93.8Very high19 Ų1957.3 Ų57.312%0.11532%0.321CS..  trans-104.1143.6179.7-64.70000110.5V19 V21 T131 A135V19-V30 HydrophobicContact CG1-CG2 3.75Å; V19-V30 PolarHBondContact O-N 3.06Å; V19-V30 VanDerWaalsContact O-N 3.11Å; V21-V30 HydrophobicContact CB-CG1 4.31Å; V21-V30 HydrophobicContact CG1-CG1 3.81Å; V21-V30 HydrophobicContact CG1-CG2 4.24Å; V21-V30 HydrophobicContact CG2-CG1 3.57Å; V30-T131 HydrophobicContact CG2-CG2 3.88Å; V30-A135 HydrophobicContact CB-CB 3.67Å; V30-A135 HydrophobicContact CG1-CB 3.46Å; V30-A135 VanDerWaalsContact CG1-CB 3.46Å; V30-A135 HydrophobicContact CG2-CB 4.16Å
31A97.3Very high93.7Very high50 Ų5057.3 Ų57.341%0.41332%0.321SS..  trans-77.5143.8177.200000110.8D36 R37 T131A31-D36 CarbonylContact C-O 3.6Å; A31-D36 WeakPolarHBondContact CA-O 3.25Å; A31-R37 HydrophobicContact CB-CG 4.47Å; A31-T131 WeakPolarHBondContact O-CG2 3.34Å
32N96.2Very high93.8Very high13 Ų1357.1 Ų57.17%0.0732%0.32CS..  trans-74.2-178.6170.367.921.4000111.6A34 G35 D36 T39 T131N32-A34 PolarHBondContact O-N 2.93Å; N32-A34 VanDerWaalsContact O-N 3.15Å; N32-A34 WeakPolarHBondContact OD1-CA 3.23Å; N32-A34 WeakPolarHBondContact OD1-CB 3.27Å; N32-A34 PolarHBondContact OD1-N 2.86Å; N32-G35 PolarHBondContact O-N 2.99Å; N32-G35 PolarHBondContact OD1-N 3.12Å; N32-D36 PolarHBondContact N-O 3.07Å; N32-D36 PolarHBondContact ND2-O 2.64Å; N32-D36 PolarHBondContact OD1-N 3.41Å; N32-D36 PolarHBondContact OD1-O 2.64Å; N32-T39 PolarHBondContact ND2-OG1 3.44Å; N32-T131 HydrophobicContact CB-CG2 4.2Å
33D93.5Very high94Very high131 Ų13155.4 Ų55.470%0.70131%0.313SS*.THydrogen-bonded Turntrans-61.8-16.417856.3-28.2000114.8K127D33-K127 WeakPolarHBondContact OD1-CE 3.14Å; D33-K127 IonicContact OD1-NZ 3.68Å; D33-K127 PolarHBondContact OD1-NZ 2.8Å; D33-K127 IonicContact OD2-NZ 3.95Å; D33-K127 PolarHBondContact OD2-NZ 3.02Å
34A92.6Very high94.5Very high59 Ų5951.7 Ų51.749%0.48830%0.297SS..THydrogen-bonded Turntrans-93-1.8172.500000113.3N32 D36 I54N32-A34 PolarHBondContact O-N 2.93Å; N32-A34 VanDerWaalsContact O-N 3.15Å; N32-A34 WeakPolarHBondContact OD1-CA 3.23Å; N32-A34 WeakPolarHBondContact OD1-CB 3.27Å; N32-A34 PolarHBondContact OD1-N 2.86Å; A34-D36 VanDerWaalsContact C-N 3.34Å; A34-I54 HydrophobicContact CB-CG2 4.12Å
35G94.6Very high95.1Very high55 Ų5544.4 Ų44.457%0.56726%0.263SS*.SBendtrans84.23.2-175.700000114.5N32N32-G35 PolarHBondContact O-N 2.99Å; N32-G35 PolarHBondContact OD1-N 3.12Å
36D95.4Very high95.6Very high75 Ų7547.4 Ų47.440%0.40126%0.257SS..  trans-87.5136.5179.2-66.5-46.9000111.3A31 N32 A34 V38A31-D36 CarbonylContact C-O 3.6Å; A31-D36 WeakPolarHBondContact CA-O 3.25Å; N32-D36 PolarHBondContact N-O 3.07Å; N32-D36 PolarHBondContact ND2-O 2.64Å; N32-D36 PolarHBondContact OD1-N 3.41Å; N32-D36 PolarHBondContact OD1-O 2.64Å; A34-D36 VanDerWaalsContact C-N 3.34Å; D36-V38 VanDerWaalsContact C-N 3.27Å; D36-V38 PolarHBondContact O-N 3.25Å
37R96.1Very high95.6Very high87 Ų8743.2 Ų43.233%0.32825%0.25SS..SBendtrans-79.7-8.6177.5-68.7174.269.690.5-6.6113.7C18 D28 V29 A31 E369C18-R37 PolarHBondContact SG-O 3.34Å; D28-R37 IonicContact OD1-CZ 2.83Å; D28-R37 IonicContact OD1-NH1 3.25Å; D28-R37 IonicContact OD1-NH2 3.96Å; D28-R37 PolarHBondContact OD1-NH2 3.37Å; V29-R37 HydrophobicContact CG1-CB 3.74Å; V29-R37 HydrophobicContact CG1-CG 4.3Å; V29-R37 WeakPolarHBondContact CG1-O 3.16Å; V29-R37 VanDerWaalsContact O-CZ 3.23Å; V29-R37 PolarHBondContact O-NH1 2.73Å; V29-R37 PolarHBondContact O-NH2 3.15Å; A31-R37 HydrophobicContact CB-CG 4.47Å; R37-E369 WeakPolarHBondContact CD-OE1 3.46Å; R37-E369 IonicContact CZ-OE1 2.71Å; R37-E369 IonicContact CZ-OE2 2.82Å; R37-E369 IonicContact NE-OE1 3.19Å; R37-E369 PolarHBondContact NE-OE1 3.14Å; R37-E369 IonicContact NE-OE2 2.78Å; R37-E369 PolarHBondContact NE-OE2 3.24Å; R37-E369 IonicContact NH2-OE1 2.74Å; R37-E369 IonicContact NH2-OE2 3.73Å; R37-E369 PolarHBondContact NH2-OE2 2.96Å
38V96.1Very high95.2Very high30 Ų3048.8 Ų48.818%0.18228%0.282CS..SBendtrans-135.1129179.21780000108.3C16 C18 D36 D368C16-V38 HydrophobicContact CB-CG1 3.39Å; C18-V38 HydrophobicContact CB-CG2 4.41Å; D36-V38 VanDerWaalsContact C-N 3.27Å; D36-V38 PolarHBondContact O-N 3.25Å; V38-D368 HydrophobicContact CG2-CB 4.19Å
39T98Very high95Very high5 Ų548.9 Ų48.93%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-105.9128.1-176.5-61.60000110.2C16 A17 N32 A41 K127 M128C16-T39 CarbonylContact C-O 3.58Å; C16-T39 VanDerWaalsContact CA-O 3.27Å; C16-T39 WeakPolarHBondContact CA-O 3.42Å; A17-T39 PolarHBondContact N-O 2.68Å; A17-T39 PolarHBondContact O-N 2.67Å; N32-T39 PolarHBondContact ND2-OG1 3.44Å; T39-A41 PolarHBondContact O-N 2.84Å; T39-K127 HydrophobicContact CG2-CG 4.3Å; T39-M128 HydrophobicContact CG2-CE 3.87Å
40P97.6Very high94.9Very high12 Ų1253.4 Ų53.48%0.07830%0.301CS..EExtended strand (participates in β ladder)trans-55.4134.2173.8-27.535.8000112.6V42 G53 I54 K57P40-V42 HydrophobicContact CB-CB 4.47Å; P40-V42 HydrophobicContact CB-CG2 3.97Å; P40-V42 PolarHBondContact O-N 3.47Å; P40-G53 VanDerWaalsContact O-CA 3.31Å; P40-G53 WeakPolarHBondContact O-CA 3.43Å; P40-I54 HydrophobicContact CG-CB 4.42Å; P40-I54 HydrophobicContact CG-CD1 4.41Å; P40-K57 HydrophobicContact CB-CB 4.31Å; P40-K57 HydrophobicContact CB-CD 4.12Å; P40-K57 HydrophobicContact CG-CD 4.02Å
41A97.8Very high94.9Very high1 Ų153.7 Ų53.71%0.00830%0.301CS..  trans-82.561.217600000110.3F12 T15 T39 I124F12-A41 HydrophobicContact CD2-CB 4.37Å; F12-A41 HydrophobicContact CE2-CB 3.75Å; T15-A41 PolarHBondContact O-N 3.01Å; T39-A41 PolarHBondContact O-N 2.84Å; A41-I124 HydrophobicContact CB-CD1 4.05Å
42V98.2Very high94.9Very high11 Ų1152.5 Ų52.57%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-128.8133.2-174.3-175.90000108.7P40 V52 G53 A56 K57 T67 V68 V69P40-V42 HydrophobicContact CB-CB 4.47Å; P40-V42 HydrophobicContact CB-CG2 3.97Å; P40-V42 PolarHBondContact O-N 3.47Å; V42-V52 WeakPolarHBondContact O-CA 3.27Å; V42-G53 PolarHBondContact O-N 2.85Å; V42-A56 HydrophobicContact CB-CB 4.25Å; V42-A56 HydrophobicContact CG1-CB 3.85Å; V42-K57 HydrophobicContact CB-CB 4.49Å; V42-K57 HydrophobicContact CG2-CB 4.28Å; V42-T67 HydrophobicContact CG1-CG2 3.39Å; V42-V68 WeakPolarHBondContact CA-O 3.14Å; V42-V69 HydrophobicContact CG1-CG1 3.91Å; V42-V69 HydrophobicContact CG2-CG1 4.04Å
43V98.4Very high95Very high0 Ų051.9 Ų51.90%029%0.286CS..EExtended strand (participates in β ladder)trans-125.5118.9178.7-175.80000109.4Y45 I51 V52 T67 V68 V120 L123 I124V43-Y45 HydrophobicContact CB-CE2 4.28Å; V43-Y45 HydrophobicContact CG1-CD2 4.36Å; V43-Y45 HydrophobicContact CG1-CE1 4.41Å; V43-Y45 HydrophobicContact CG1-CE2 3.68Å; V43-I51 CarbonylContact C-O 3.54Å; V43-I51 WeakPolarHBondContact CA-O 3.45Å; V43-V52 HydrophobicContact CG1-CG2 4.47Å; V43-V52 HydrophobicContact CG2-CG2 4.27Å; V43-T67 CarbonylContact O-C 3.51Å; V43-T67 WeakPolarHBondContact O-CA 3.46Å; V43-V68 PolarHBondContact N-O 3.35Å; V43-V68 PolarHBondContact O-N 3.29Å; V43-V120 HydrophobicContact CB-CG1 3.9Å; V43-V120 HydrophobicContact CG2-CG1 3.58Å; V43-L123 HydrophobicContact CG1-CD1 3.73Å; V43-L123 HydrophobicContact CG2-CB 4.38Å; V43-I124 HydrophobicContact CG2-CD1 4.18Å; V43-I124 HydrophobicContact CG2-CG1 3.83Å
44G97.6Very high95.1Very high3 Ų348.1 Ų48.13%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-102.9131175.100000110.6I51G44-I51 PolarHBondContact N-O 3.11Å; G44-I51 PolarHBondContact O-N 3.18Å
45Y96.6Very high95.2Very high8 Ų847.5 Ų47.53%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-102.5129.2175.2-62.4-94.3000109.7V43 Q50 N63 N66 V68 I106 V115 L123V43-Y45 HydrophobicContact CB-CE2 4.28Å; V43-Y45 HydrophobicContact CG1-CD2 4.36Å; V43-Y45 HydrophobicContact CG1-CE1 4.41Å; V43-Y45 HydrophobicContact CG1-CE2 3.68Å; Y45-Q50 HydrophobicContact CD1-CG 3.79Å; Y45-Q50 HydrophobicContact CE1-CG 3.89Å; Y45-N63 PolarHBondContact O-ND2 2.8Å; Y45-N66 WeakPolarHBondContact CD2-O 3.21Å; Y45-N66 PolarHBondContact N-O 3Å; Y45-V68 HydrophobicContact CE2-CG2 3.99Å; Y45-I106 HydrophobicContact CD1-CG2 4.28Å; Y45-I106 HydrophobicContact CD2-CD1 3.89Å; Y45-I106 HydrophobicContact CD2-CG1 4.07Å; Y45-I106 HydrophobicContact CD2-CG2 4.09Å; Y45-I106 HydrophobicContact CE2-CD1 4.32Å; Y45-I106 HydrophobicContact CE2-CG1 4.39Å; Y45-I106 HydrophobicContact CG-CG1 4.36Å; Y45-I106 HydrophobicContact CG-CG2 3.66Å; Y45-V115 HydrophobicContact CE1-CG1 4.49Å; Y45-V115 HydrophobicContact CE1-CG2 4.3Å; Y45-V115 WeakPolarHBondContact OH-CG1 3.45Å; Y45-L123 HydrophobicContact CE1-CD1 4.2Å
46R91.5Very high95.3Very high118 Ų11845.1 Ų45.145%0.44524%0.235SC..  trans-121.3176.4171.2-64.6-177.3177.1173.5-2.3109T48 E49 I51 C108R46-T48 VanDerWaalsContact C-N 3.26Å; R46-T48 PolarHBondContact O-N 3.48Å; R46-E49 HydrophobicContact CB-CG 3.99Å; R46-E49 WeakPolarHBondContact CD-OE1 3.31Å; R46-E49 HydrophobicContact CG-CG 4.46Å; R46-E49 IonicContact CZ-OE1 3.76Å; R46-E49 PolarHBondContact N-O 3.33Å; R46-E49 IonicContact NE-OE1 2.85Å; R46-E49 IonicContact NH1-OE1 2.87Å; R46-E49 PolarHBondContact NH1-OE1 3.49Å; R46-I51 HydrophobicContact CG-CD1 4.35Å; R46-I51 VanDerWaalsContact NE-CD1 3.34Å; R46-C108 PolarHBondContact O-SG 3.39Å
47D86.8Confident95.3Very high119 Ų11944 Ų4464%0.63623%0.226SC*.SBendtrans-59.6-37.2-175.4-57.2-21.8000112.9C108 G109D47-C108 WeakPolarHBondContact OD1-CA 3.25Å; D47-G109 PolarHBondContact OD1-N 3.15Å
48T85.4Confident95.1Very high138 Ų13846 Ų4685%0.84724%0.24SC*.SBendtrans-116.1-12-174.255.80000114.5R46R46-T48 VanDerWaalsContact C-N 3.26Å; R46-T48 PolarHBondContact O-N 3.48Å
49E91.4Very high94.9Very high91 Ų9145.6 Ų45.643%0.42524%0.241SC..  trans-145.1154.9-170.464.8177.717200113.5R46 I51R46-E49 HydrophobicContact CB-CG 3.99Å; R46-E49 WeakPolarHBondContact CD-OE1 3.31Å; R46-E49 HydrophobicContact CG-CG 4.46Å; R46-E49 IonicContact CZ-OE1 3.76Å; R46-E49 PolarHBondContact N-O 3.33Å; R46-E49 IonicContact NE-OE1 2.85Å; R46-E49 IonicContact NH1-OE1 2.87Å; R46-E49 PolarHBondContact NH1-OE1 3.49Å; E49-I51 HydrophobicContact CG-CD1 4.28Å; E49-I51 HydrophobicContact CG-CG1 4.05Å
50Q95.4Very high94.7Very high97 Ų9746.6 Ų46.645%0.45325%0.245SC..EExtended strand (participates in β ladder)trans-113.1120.1171-68.2153.615.500107.3Y45 L123Y45-Q50 HydrophobicContact CD1-CG 3.79Å; Y45-Q50 HydrophobicContact CE1-CG 3.89Å; Q50-L123 HydrophobicContact CB-CD1 4.28Å; Q50-L123 HydrophobicContact CG-CD1 4.35Å; Q50-L123 VanDerWaalsContact OE1-CD2 3.26Å
51I96.1Very high94.5Very high24 Ų2447.2 Ų47.212%0.12325%0.249CC..EExtended strand (participates in β ladder)trans-107136.4-176.8-55.8169.5000107.9V43 G44 R46 E49 A55 A56V43-I51 CarbonylContact C-O 3.54Å; V43-I51 WeakPolarHBondContact CA-O 3.45Å; G44-I51 PolarHBondContact N-O 3.11Å; G44-I51 PolarHBondContact O-N 3.18Å; R46-I51 HydrophobicContact CG-CD1 4.35Å; R46-I51 VanDerWaalsContact NE-CD1 3.34Å; E49-I51 HydrophobicContact CG-CD1 4.28Å; E49-I51 HydrophobicContact CG-CG1 4.05Å; I51-A55 HydrophobicContact CG2-CB 3.43Å; I51-A55 VanDerWaalsContact CG2-CB 3.43Å; I51-A56 HydrophobicContact CB-CB 4.39Å; I51-A56 HydrophobicContact CG2-CB 4.13Å; I51-A56 WeakPolarHBondContact O-CB 3.2Å
52V97.9Very high94.2Very high25 Ų2557.8 Ų57.815%0.15229%0.289CS..EExtended strand (participates in β ladder)trans-122.2147.1179.5-174.90000109.6V42 V43 L123 I124 K127V42-V52 WeakPolarHBondContact O-CA 3.27Å; V43-V52 HydrophobicContact CG1-CG2 4.47Å; V43-V52 HydrophobicContact CG2-CG2 4.27Å; V52-L123 HydrophobicContact CG2-CB 4.07Å; V52-I124 HydrophobicContact CG1-CG1 4.26Å; V52-K127 HydrophobicContact CB-CB 4.22Å; V52-K127 HydrophobicContact CB-CG 4.35Å; V52-K127 HydrophobicContact CG1-CB 3.83Å; V52-K127 HydrophobicContact CG1-CG 4.08Å
53G97.5Very high94Very high1 Ų159 Ų591%0.0130%0.295CS..THydrogen-bonded Turntrans87.8-143.117100000114.2P40 V42 A55 A56 K57P40-G53 VanDerWaalsContact O-CA 3.31Å; P40-G53 WeakPolarHBondContact O-CA 3.43Å; V42-G53 PolarHBondContact O-N 2.85Å; G53-A55 VanDerWaalsContact C-N 3.32Å; G53-A55 PolarHBondContact O-N 3.34Å; G53-A56 PolarHBondContact O-N 3.44Å; G53-K57 PolarHBondContact O-N 2.63Å
54I95.6Very high93.7Very high51 Ų5160.2 Ų60.226%0.26231%0.305SS..Hα-helixtrans-62.7-38.3-171.8-171.458.5000112.6A34 P40 A56 K57 Q58A34-I54 HydrophobicContact CB-CG2 4.12Å; P40-I54 HydrophobicContact CG-CB 4.42Å; P40-I54 HydrophobicContact CG-CD1 4.41Å; I54-A56 VanDerWaalsContact C-N 3.32Å; I54-A56 PolarHBondContact O-N 2.8Å; I54-K57 HydrophobicContact CD1-CD 4.46Å; I54-K57 PolarHBondContact O-N 2.75Å; I54-Q58 HydrophobicContact CD1-CG 4.21Å; I54-Q58 HydrophobicContact CG1-CG 4.33Å; I54-Q58 WeakPolarHBondContact O-CG 3.22Å; I54-Q58 PolarHBondContact O-N 3.11Å
55A94.9Very high93.6Very high47 Ų4762.8 Ų62.839%0.38833%0.326SS..Hα-helixtrans-62.8-38.4177.300000112I51 G53 G59I51-A55 HydrophobicContact CG2-CB 3.43Å; I51-A55 VanDerWaalsContact CG2-CB 3.43Å; G53-A55 VanDerWaalsContact C-N 3.32Å; G53-A55 PolarHBondContact O-N 3.34Å; A55-G59 PolarHBondContact O-N 2.8Å
56A96.4Very high93.6Very high4 Ų463.5 Ų63.53%0.03333%0.33CS..Hα-helixtrans-69-43.9174.200000111.8V42 I51 G53 I54 Q58 G59 Q60V42-A56 HydrophobicContact CB-CB 4.25Å; V42-A56 HydrophobicContact CG1-CB 3.85Å; I51-A56 HydrophobicContact CB-CB 4.39Å; I51-A56 HydrophobicContact CG2-CB 4.13Å; I51-A56 WeakPolarHBondContact O-CB 3.2Å; G53-A56 PolarHBondContact O-N 3.44Å; I54-A56 VanDerWaalsContact C-N 3.32Å; I54-A56 PolarHBondContact O-N 2.8Å; A56-Q58 PolarHBondContact O-N 3.12Å; A56-G59 PolarHBondContact O-N 3.18Å; A56-Q60 PolarHBondContact O-N 2.88Å
57K95.1Very high93.8Very high51 Ų5158 Ų5822%0.22231%0.309CS..Hα-helixtrans-59.1-45.3176.7-174.5178.7177.8-176.90112P40 V42 G53 I54 Q60 D270P40-K57 HydrophobicContact CB-CB 4.31Å; P40-K57 HydrophobicContact CB-CD 4.12Å; P40-K57 HydrophobicContact CG-CD 4.02Å; V42-K57 HydrophobicContact CB-CB 4.49Å; V42-K57 HydrophobicContact CG2-CB 4.28Å; G53-K57 PolarHBondContact O-N 2.63Å; I54-K57 HydrophobicContact CD1-CD 4.46Å; I54-K57 PolarHBondContact O-N 2.75Å; K57-Q60 VanDerWaalsContact O-CB 3.26Å; K57-Q60 WeakPolarHBondContact O-CB 3.44Å; K57-Q60 PolarHBondContact O-N 3.41Å; K57-D270 IonicContact NZ-OD2 3.99Å; K57-D270 PolarHBondContact NZ-OD2 3.39Å
58Q92.4Very high94.4Very high131 Ų13152.3 Ų52.361%0.61228%0.279SS*.Hα-helixtrans-68.4-39.2177.1-70.4176.7-7.800112I54 A56 Q60I54-Q58 HydrophobicContact CD1-CG 4.21Å; I54-Q58 HydrophobicContact CG1-CG 4.33Å; I54-Q58 WeakPolarHBondContact O-CG 3.22Å; I54-Q58 PolarHBondContact O-N 3.11Å; A56-Q58 PolarHBondContact O-N 3.12Å; Q58-Q60 PolarHBondContact O-N 2.77Å
59G92.9Very high94.9Very high20 Ų2047 Ų4721%0.20625%0.247CC..Hα-helixtrans-66.8-21.3176.800000114.5A55 A56 V61 R62 N63A55-G59 PolarHBondContact O-N 2.8Å; A56-G59 PolarHBondContact O-N 3.18Å; G59-V61 PolarHBondContact O-N 3.33Å; G59-V61 VanDerWaalsContact O-N 3.1Å; G59-R62 PolarHBondContact O-N 2.79Å; G59-N63 PolarHBondContact O-N 2.79Å
60Q94Very high95.1Very high26 Ų2644 Ų4412%0.12123%0.232CC..Hα-helixtrans-53.8-34.4-177.2-167.1-177.121.800113.1A56 K57 Q58 R62 N63 A64 T67 L263A56-Q60 PolarHBondContact O-N 2.88Å; K57-Q60 VanDerWaalsContact O-CB 3.26Å; K57-Q60 WeakPolarHBondContact O-CB 3.44Å; K57-Q60 PolarHBondContact O-N 3.41Å; Q58-Q60 PolarHBondContact O-N 2.77Å; Q60-R62 PolarHBondContact O-N 2.86Å; Q60-R62 VanDerWaalsContact O-N 3.13Å; Q60-N63 PolarHBondContact O-N 2.84Å; Q60-A64 HydrophobicContact CG-CB 4.47Å; Q60-A64 WeakPolarHBondContact O-CA 3.22Å; Q60-A64 WeakPolarHBondContact O-CB 3.48Å; Q60-A64 PolarHBondContact O-N 2.78Å; Q60-T67 HydrophobicContact CB-CG2 3.99Å; Q60-T67 HydrophobicContact CG-CG2 3.88Å; Q60-L263 HydrophobicContact CB-CD2 4.49Å; Q60-L263 HydrophobicContact CG-CD2 4.04Å
61V91.8Very high95.2Very high26 Ų2639.4 Ų39.416%0.15821%0.211CC..Hα-helixtrans-57.9-29.4178.9178.40000112.5G59 R260 L263 K264G59-V61 PolarHBondContact O-N 3.33Å; G59-V61 VanDerWaalsContact O-N 3.1Å; V61-R260 HydrophobicContact CG1-CG 3.95Å; V61-L263 HydrophobicContact CG2-CD2 4.24Å; V61-L263 HydrophobicContact CG2-CG 4.18Å; V61-K264 HydrophobicContact CG1-CG 3.82Å; V61-K264 HydrophobicContact CG2-CG 4.38Å
62R91.9Very high95.3Very high222 Ų22238.3 Ų38.384%0.83821%0.205SC*.Hα-helixtrans-105-21.3-179.8-59.3-178.4-173.1-171.10.6112.9G59 Q60G59-R62 PolarHBondContact O-N 2.79Å; Q60-R62 PolarHBondContact O-N 2.86Å; Q60-R62 VanDerWaalsContact O-N 3.13Å
63N93.5Very high95.1Very high38 Ų3838.5 Ų38.520%0.20321%0.205CC..Hα-helixtrans-129.937.6-171-165.834.5000112.9Y45 G59 Q60 A65 N66 T67Y45-N63 PolarHBondContact O-ND2 2.8Å; G59-N63 PolarHBondContact O-N 2.79Å; Q60-N63 PolarHBondContact O-N 2.84Å; N63-A65 VanDerWaalsContact C-N 3.29Å; N63-A65 PolarHBondContact O-N 2.98Å; N63-N66 CarbonylContact O-C 3.55Å; N63-N66 PolarHBondContact O-N 3.04Å; N63-N66 WeakPolarHBondContact OD1-CB 3.42Å; N63-N66 PolarHBondContact OD1-ND2 3.22Å; N63-T67 WeakPolarHBondContact O-CB 3.49Å; N63-T67 PolarHBondContact O-N 3.46Å; N63-T67 PolarHBondContact O-OG1 3.21Å
64A93.4Very high95Very high25 Ų2538.5 Ų38.521%0.20720%0.204CC..G310 helixtrans-61-35.5-171.300000113.4Q60 N66 T67 K92Q60-A64 HydrophobicContact CG-CB 4.47Å; Q60-A64 WeakPolarHBondContact O-CA 3.22Å; Q60-A64 WeakPolarHBondContact O-CB 3.48Å; Q60-A64 PolarHBondContact O-N 2.78Å; A64-N66 PolarHBondContact O-N 3.4Å; A64-T67 PolarHBondContact O-N 3.25Å; A64-K92 HydrophobicContact CB-CB 3.81Å; A64-K92 HydrophobicContact CB-CG 4.1Å
65A94.3Very high95Very high57 Ų5736.1 Ų36.147%0.47119%0.192SC..G310 helixtrans-66.1-25.4-179.700000113.3N63 C93N63-A65 VanDerWaalsContact C-N 3.29Å; N63-A65 PolarHBondContact O-N 2.98Å; A65-C93 WeakPolarHBondContact O-CA 3.35Å; A65-C93 PolarHBondContact O-SG 3.13Å
66N96.4Very high94.8Very high22 Ų2234.5 Ų34.512%0.11818%0.18CC..G310 helixtrans-114.920.8-180-62-37.9000112.3Y45 N63 A64 I106 T107Y45-N66 WeakPolarHBondContact CD2-O 3.21Å; Y45-N66 PolarHBondContact N-O 3Å; N63-N66 CarbonylContact O-C 3.55Å; N63-N66 PolarHBondContact O-N 3.04Å; N63-N66 WeakPolarHBondContact OD1-CB 3.42Å; N63-N66 PolarHBondContact OD1-ND2 3.22Å; A64-N66 PolarHBondContact O-N 3.4Å; N66-I106 HydrophobicContact CB-CG2 4.24Å; N66-T107 PolarHBondContact ND2-O 3.34Å; N66-T107 PolarHBondContact OD1-N 2.93Å; N66-T107 PolarHBondContact OD1-O 3.33Å
67T97.2Very high94.8Very high2 Ų236.4 Ų36.41%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-119.6103.5178.8-57.80000110.4V42 V43 Q60 N63 A64 C93V42-T67 HydrophobicContact CG1-CG2 3.39Å; V43-T67 CarbonylContact O-C 3.51Å; V43-T67 WeakPolarHBondContact O-CA 3.46Å; Q60-T67 HydrophobicContact CB-CG2 3.99Å; Q60-T67 HydrophobicContact CG-CG2 3.88Å; N63-T67 WeakPolarHBondContact O-CB 3.49Å; N63-T67 PolarHBondContact O-N 3.46Å; N63-T67 PolarHBondContact O-OG1 3.21Å; A64-T67 PolarHBondContact O-N 3.25Å; T67-C93 PolarHBondContact N-SG 2.6Å; T67-C93 VanDerWaalsContact N-SG 3.37Å; T67-C93 PolarHBondContact O-SG 3.27Å
68V98Very high94.8Very high1 Ų140.1 Ų40.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-80.5129.7-179.4-176.30000109.8V42 V43 Y45 V71 Y104 I106 V120V42-V68 WeakPolarHBondContact CA-O 3.14Å; V43-V68 PolarHBondContact N-O 3.35Å; V43-V68 PolarHBondContact O-N 3.29Å; Y45-V68 HydrophobicContact CE2-CG2 3.99Å; V68-V71 HydrophobicContact CG1-CB 4.12Å; V68-V71 HydrophobicContact CG1-CG2 4.41Å; V68-Y104 HydrophobicContact CG1-CD1 4.19Å; V68-Y104 HydrophobicContact CG1-CD2 4.14Å; V68-Y104 HydrophobicContact CG1-CE1 3.75Å; V68-Y104 HydrophobicContact CG1-CE2 3.69Å; V68-Y104 HydrophobicContact CG1-CG 4.37Å; V68-Y104 VanDerWaalsContact CG1-CZ 3.47Å; V68-Y104 HydrophobicContact CG2-CD1 3.95Å; V68-Y104 HydrophobicContact CG2-CD2 4.16Å; V68-Y104 HydrophobicContact CG2-CE1 4.35Å; V68-Y104 HydrophobicContact CG2-CG 3.84Å; V68-I106 HydrophobicContact CG2-CD1 4.13Å; V68-V120 HydrophobicContact CB-CG1 4.12Å; V68-V120 HydrophobicContact CG1-CG1 3.91Å; V68-V120 HydrophobicContact CG1-CG2 4.25Å; V68-V120 HydrophobicContact CG2-CG2 4.43Å
69V96.9Very high95.1Very high27 Ų2735.1 Ų35.116%0.16418%0.176CC..EExtended strand (participates in β ladder)trans-122.1160.4175.5-62.90000109.7V42 V71 H87V42-V69 HydrophobicContact CG1-CG1 3.91Å; V42-V69 HydrophobicContact CG2-CG1 4.04Å; V69-V71 PolarHBondContact O-N 2.79Å; V69-H87 PolarHBondContact O-CE1 3Å; V69-H87 VanDerWaalsContact O-CE1 3.23Å
70K96.3Very high95.3Very high26 Ų2638.2 Ų38.211%0.11319%0.187CC..  trans53.927.1171-54.8178.1-177.8178.10115.6Y14 K72 Q73 E90 T205 E233Y14-K70 WeakPolarHBondContact O-CA 3.39Å; K70-K72 PolarHBondContact O-N 2.87Å; K70-Q73 HydrophobicContact CB-CG 4.25Å; K70-Q73 WeakPolarHBondContact O-CB 3.39Å; K70-Q73 PolarHBondContact O-N 2.95Å; K70-E90 IonicContact NZ-OE2 3.86Å; K70-E90 PolarHBondContact NZ-OE2 3.41Å; K70-T205 HydrophobicContact CD-CG2 3.97Å; K70-T205 HydrophobicContact CG-CG2 4.44Å; K70-E233 VanDerWaalsContact CE-CD 3.42Å; K70-E233 WeakPolarHBondContact CE-OE1 3.34Å; K70-E233 WeakPolarHBondContact CE-OE2 3.5Å; K70-E233 IonicContact NZ-OE1 3.85Å; K70-E233 IonicContact NZ-OE2 3.22Å; K70-E233 PolarHBondContact NZ-OE2 2.82Å
71V97.5Very high95.3Very high2 Ų238.8 Ų38.81%0.01219%0.191CC..G310 helixtrans-58.6-28.5-172.369.90000113.9F12 V68 V69 Q73 V74 L75 Y104 P117 V120 I124F12-V71 HydrophobicContact CZ-CG1 3.97Å; V68-V71 HydrophobicContact CG1-CB 4.12Å; V68-V71 HydrophobicContact CG1-CG2 4.41Å; V69-V71 PolarHBondContact O-N 2.79Å; V71-Q73 PolarHBondContact O-N 3.14Å; V71-Q73 VanDerWaalsContact O-N 3.09Å; V71-V74 HydrophobicContact CG2-CG2 4.28Å; V71-V74 WeakPolarHBondContact O-CG2 3.41Å; V71-V74 PolarHBondContact O-N 2.81Å; V71-V74 VanDerWaalsContact O-N 3.08Å; V71-L75 PolarHBondContact O-N 3.32Å; V71-L75 VanDerWaalsContact O-N 3.14Å; V71-Y104 HydrophobicContact CG2-CE2 3.86Å; V71-P117 HydrophobicContact CG2-CB 3.75Å; V71-V120 HydrophobicContact CB-CB 4.24Å; V71-V120 HydrophobicContact CB-CG1 3.93Å; V71-V120 HydrophobicContact CG1-CB 4.17Å; V71-V120 HydrophobicContact CG1-CG1 3.77Å; V71-V120 HydrophobicContact CG2-CB 3.79Å; V71-V120 HydrophobicContact CG2-CG1 4.04Å; V71-V120 HydrophobicContact CG2-CG2 4.22Å; V71-I124 HydrophobicContact CG1-CD1 3.87Å
72K96.4Very high95.5Very high1 Ų142.1 Ų42.10%0.00421%0.213CC..G310 helixtrans-58.7-22.7175.7-169.5174.5-173.8-172.10113F12 Y14 K70 F151 E176F12-K72 HydrophobicContact CD2-CD 4.3Å; F12-K72 HydrophobicContact CE2-CB 4.11Å; F12-K72 HydrophobicContact CG-CD 4.32Å; F12-K72 HydrophobicContact CZ-CB 4.12Å; F12-K72 WeakPolarHBondContact O-CD 3.36Å; F12-K72 VanDerWaalsContact O-CE 3.28Å; F12-K72 WeakPolarHBondContact O-CE 3.45Å; F12-K72 PolarHBondContact O-NZ 3.2Å; Y14-K72 HydrophobicContact CD1-CB 3.98Å; Y14-K72 HydrophobicContact CD1-CG 4.23Å; Y14-K72 HydrophobicContact CE1-CB 4.39Å; Y14-K72 HydrophobicContact CE1-CG 4.23Å; K70-K72 PolarHBondContact O-N 2.87Å; K72-F151 HydrophobicContact CD-CZ 4.36Å; K72-F151 HydrophobicContact CG-CE2 4.42Å; K72-F151 HydrophobicContact CG-CZ 3.92Å; K72-E176 IonicContact NZ-OE1 3.6Å
73Q94Very high95.5Very high29 Ų2934 Ų3414%0.13619%0.189CC..G310 helixtrans-66.1-36176.1-69.3-177.4-44.800112.9Y14 K70 V71 R77 V83 H87Y14-Q73 HydrophobicContact CD1-CB 4.37Å; Y14-Q73 HydrophobicContact CD1-CG 3.44Å; Y14-Q73 VanDerWaalsContact CD1-CG 3.44Å; Y14-Q73 HydrophobicContact CE1-CB 4.41Å; Y14-Q73 HydrophobicContact CE1-CG 3.77Å; Y14-Q73 HydrophobicContact CG-CG 4.28Å; K70-Q73 HydrophobicContact CB-CG 4.25Å; K70-Q73 WeakPolarHBondContact O-CB 3.39Å; K70-Q73 PolarHBondContact O-N 2.95Å; V71-Q73 PolarHBondContact O-N 3.14Å; V71-Q73 VanDerWaalsContact O-N 3.09Å; Q73-R77 WeakPolarHBondContact O-CD 3.33Å; Q73-R77 PolarHBondContact O-NE 2.78Å; Q73-V83 HydrophobicContact CB-CG1 4.32Å; Q73-H87 PolarHBondContact OE1-ND1 3.07Å
74V95.6Very high95.6Very high1 Ų132.2 Ų32.21%0.00618%0.179CC..THydrogen-bonded Turntrans-103.2-8.5-175.1-58.50000113.5V71 G76 R77 T84 H87 Y104 P117V71-V74 HydrophobicContact CG2-CG2 4.28Å; V71-V74 WeakPolarHBondContact O-CG2 3.41Å; V71-V74 PolarHBondContact O-N 2.81Å; V71-V74 VanDerWaalsContact O-N 3.08Å; V74-G76 PolarHBondContact O-N 2.75Å; V74-R77 WeakPolarHBondContact O-CB 3.38Å; V74-R77 PolarHBondContact O-N 2.94Å; V74-T84 HydrophobicContact CG1-CG2 4.15Å; V74-H87 HydrophobicContact CG1-CB 3.61Å; V74-Y104 HydrophobicContact CG2-CE2 4.47Å; V74-Y104 VanDerWaalsContact CG2-OH 3.25Å; V74-Y104 WeakPolarHBondContact CG2-OH 3.04Å; V74-P117 HydrophobicContact CG2-CB 4.07Å; V74-P117 HydrophobicContact CG2-CG 3.91Å
75L95.1Very high95.8Very high0 Ų034.3 Ų34.30%018%0.184CC..THydrogen-bonded Turntrans-58126179.2-17368.6000111.5V71 R77 P117 E118 A121 Q155 L159V71-L75 PolarHBondContact O-N 3.32Å; V71-L75 VanDerWaalsContact O-N 3.14Å; L75-R77 PolarHBondContact O-N 2.84Å; L75-P117 HydrophobicContact CD1-CB 4.18Å; L75-E118 HydrophobicContact CD1-CB 4.38Å; L75-E118 HydrophobicContact CD1-CG 3.86Å; L75-A121 HydrophobicContact CD1-CB 4.11Å; L75-A121 HydrophobicContact CD2-CB 4.32Å; L75-Q155 WeakPolarHBondContact O-CG 3.45Å; L75-L159 HydrophobicContact CD2-CB 3.93Å; L75-L159 HydrophobicContact CD2-CD1 3.63Å; L75-L159 HydrophobicContact CD2-CG 4.41Å
76G92.3Very high95.8Very high14 Ų1435 Ų3514%0.14418%0.183CC..THydrogen-bonded Turntrans65.813.7-177.800000115V74 S158V74-G76 PolarHBondContact O-N 2.75Å; G76-S158 VanDerWaalsContact CA-OG 3.28Å; G76-S158 WeakPolarHBondContact CA-OG 3.42Å
77R95.3Very high95.8Very high44 Ų4434 Ų3417%0.16618%0.178CC..  trans-100.5152.3172.9-63.9-172.2-178.5-91.5-2.7111Q73 V74 L75 D81 T84 P102Q73-R77 WeakPolarHBondContact O-CD 3.33Å; Q73-R77 PolarHBondContact O-NE 2.78Å; V74-R77 WeakPolarHBondContact O-CB 3.38Å; V74-R77 PolarHBondContact O-N 2.94Å; L75-R77 PolarHBondContact O-N 2.84Å; R77-D81 HydrophobicContact CB-CB 4.18Å; R77-D81 IonicContact CZ-OD1 2.62Å; R77-D81 IonicContact CZ-OD2 2.91Å; R77-D81 IonicContact NH1-OD1 3.19Å; R77-D81 PolarHBondContact NH1-OD1 3.39Å; R77-D81 IonicContact NH1-OD2 3.1Å; R77-D81 PolarHBondContact NH1-OD2 3.08Å; R77-T84 WeakPolarHBondContact CB-OG1 3.37Å; R77-P102 WeakPolarHBondContact O-CD 3.35Å
78R96.3Very high95.7Very high128 Ų12838.1 Ų38.148%0.48320%0.195SC..  trans-74161.5170.1-68.2171.252.6134.70.2110.8D80 D81 T84 Q100 M101R78-D80 VanDerWaalsContact C-N 3.3Å; R78-D80 WeakPolarHBondContact CB-OD1 3.3Å; R78-D80 IonicContact CZ-OD1 3.32Å; R78-D80 IonicContact CZ-OD2 3.39Å; R78-D80 IonicContact NE-OD1 2.86Å; R78-D80 PolarHBondContact NE-OD1 3.37Å; R78-D80 IonicContact NE-OD2 3.07Å; R78-D80 IonicContact NH2-OD1 2.72Å; R78-D80 IonicContact NH2-OD2 3.75Å; R78-D80 PolarHBondContact NH2-OD2 3.1Å; R78-D80 PolarHBondContact O-N 2.8Å; R78-D81 WeakPolarHBondContact O-CB 3.38Å; R78-D81 PolarHBondContact O-N 3.05Å; R78-T84 WeakPolarHBondContact O-CB 3.34Å; R78-T84 PolarHBondContact O-OG1 2.79Å; R78-Q100 CarbonylContact C-O 3.51Å; R78-Q100 WeakPolarHBondContact CA-O 3.3Å; R78-M101 HydrophobicContact CG-SD 4.41Å
79F97.7Very high95.6Very high27 Ų2743.5 Ų43.512%0.11823%0.228CC..THydrogen-bonded Turntrans-61.6-40.1176.9-175.8-96.3000111.6D81 Q85 K88 V95 I96 N97 Q100 P102F79-D81 VanDerWaalsContact C-N 3.27Å; F79-D81 PolarHBondContact O-N 2.79Å; F79-Q85 PolarHBondContact O-NE2 3.28Å; F79-K88 HydrophobicContact CE2-CD 4.42Å; F79-K88 HydrophobicContact CZ-CD 4.16Å; F79-V95 HydrophobicContact CE2-CG1 4.27Å; F79-I96 WeakPolarHBondContact CD2-O 3.09Å; F79-I96 WeakPolarHBondContact CE2-O 3.28Å; F79-N97 HydrophobicContact CB-CB 4.24Å; F79-N97 HydrophobicContact CD1-CB 3.57Å; F79-N97 HydrophobicContact CD2-CB 3.8Å; F79-N97 HydrophobicContact CE1-CB 3.74Å; F79-N97 HydrophobicContact CE2-CB 3.97Å; F79-N97 HydrophobicContact CG-CB 3.58Å; F79-N97 HydrophobicContact CZ-CB 3.92Å; F79-Q100 PolarHBondContact N-O 3.48Å; F79-P102 HydrophobicContact CD2-CB 4.13Å
80D96.8Very high95.3Very high85 Ų8546.9 Ų46.946%0.45524%0.242SC..THydrogen-bonded Turntrans-76.5-5-178.356.5-2000114.7R78R78-D80 VanDerWaalsContact C-N 3.3Å; R78-D80 WeakPolarHBondContact CB-OD1 3.3Å; R78-D80 IonicContact CZ-OD1 3.32Å; R78-D80 IonicContact CZ-OD2 3.39Å; R78-D80 IonicContact NE-OD1 2.86Å; R78-D80 PolarHBondContact NE-OD1 3.37Å; R78-D80 IonicContact NE-OD2 3.07Å; R78-D80 IonicContact NH2-OD1 2.72Å; R78-D80 IonicContact NH2-OD2 3.75Å; R78-D80 PolarHBondContact NH2-OD2 3.1Å; R78-D80 PolarHBondContact O-N 2.8Å
81D95.4Very high95.1Very high37 Ų3746.5 Ų46.520%0.19824%0.242CC..SBendtrans-62.1134.5177.2-177.2-69.6000111.1R77 R78 F79 V83 T84 Q85R77-D81 HydrophobicContact CB-CB 4.18Å; R77-D81 IonicContact CZ-OD1 2.62Å; R77-D81 IonicContact CZ-OD2 2.91Å; R77-D81 IonicContact NH1-OD1 3.19Å; R77-D81 PolarHBondContact NH1-OD1 3.39Å; R77-D81 IonicContact NH1-OD2 3.1Å; R77-D81 PolarHBondContact NH1-OD2 3.08Å; R78-D81 WeakPolarHBondContact O-CB 3.38Å; R78-D81 PolarHBondContact O-N 3.05Å; F79-D81 VanDerWaalsContact C-N 3.27Å; F79-D81 PolarHBondContact O-N 2.79Å; D81-V83 PolarHBondContact O-N 2.86Å; D81-V83 WeakPolarHBondContact OD1-CA 3.46Å; D81-V83 WeakPolarHBondContact OD1-CB 3.33Å; D81-V83 PolarHBondContact OD1-N 3.42Å; D81-T84 WeakPolarHBondContact O-CA 3.16Å; D81-T84 WeakPolarHBondContact O-CB 3.38Å; D81-T84 PolarHBondContact O-N 2.86Å; D81-Q85 PolarHBondContact O-N 3.27Å
82P94.7Very high94.9Very high97 Ų9752.4 Ų52.463%0.6327%0.267SS*.Hα-helixtrans-56.2-34-179.1-27.635.2000114.6Q85 T86P82-Q85 PolarHBondContact O-N 3.47Å; P82-T86 WeakPolarHBondContact O-CB 3.24Å; P82-T86 PolarHBondContact O-N 2.89Å; P82-T86 PolarHBondContact O-OG1 2.97Å
83V92.3Very high94.8Very high52 Ų5252.6 Ų52.632%0.31527%0.269SS..Hα-helixtrans-69.5-39.9176.2-178.50000110.1Q73 D81 T86 H87Q73-V83 HydrophobicContact CB-CG1 4.32Å; D81-V83 PolarHBondContact O-N 2.86Å; D81-V83 WeakPolarHBondContact OD1-CA 3.46Å; D81-V83 WeakPolarHBondContact OD1-CB 3.33Å; D81-V83 PolarHBondContact OD1-N 3.42Å; V83-T86 PolarHBondContact O-N 2.8Å; V83-H87 WeakPolarHBondContact O-CB 3.48Å; V83-H87 PolarHBondContact O-N 3.37Å
84T96.2Very high94.9Very high0 Ų056.6 Ų56.60%029%0.288CS..Hα-helixtrans-64.4-41.8174.3-56.10000111.7V74 R77 R78 D81 H87 K88 P102V74-T84 HydrophobicContact CG1-CG2 4.15Å; R77-T84 WeakPolarHBondContact CB-OG1 3.37Å; R78-T84 WeakPolarHBondContact O-CB 3.34Å; R78-T84 PolarHBondContact O-OG1 2.79Å; D81-T84 WeakPolarHBondContact O-CA 3.16Å; D81-T84 WeakPolarHBondContact O-CB 3.38Å; D81-T84 PolarHBondContact O-N 2.86Å; T84-H87 PolarHBondContact O-N 3.35Å; T84-K88 WeakPolarHBondContact O-CB 3.43Å; T84-K88 PolarHBondContact O-N 3.17Å; T84-P102 HydrophobicContact CG2-CB 3.85Å; T84-P102 HydrophobicContact CG2-CG 4.07Å
85Q97.1Very high95Very high68 Ų6856.9 Ų56.932%0.31829%0.289SS..Hα-helixtrans-64.4-42.4175.7-68.4-57.5-52.100111.9F79 D81 P82 K88 T89F79-Q85 PolarHBondContact O-NE2 3.28Å; D81-Q85 PolarHBondContact O-N 3.27Å; P82-Q85 PolarHBondContact O-N 3.47Å; Q85-K88 WeakPolarHBondContact O-CB 3.35Å; Q85-K88 PolarHBondContact O-N 3.22Å; Q85-T89 PolarHBondContact O-N 3.25Å
86T95.2Very high95.1Very high71 Ų7158.9 Ų58.944%0.43630%0.299SS..Hα-helixtrans-60.4-49.6174.2-560000110.5P82 V83 K88 T89 E90P82-T86 WeakPolarHBondContact O-CB 3.24Å; P82-T86 PolarHBondContact O-N 2.89Å; P82-T86 PolarHBondContact O-OG1 2.97Å; V83-T86 PolarHBondContact O-N 2.8Å; T86-K88 VanDerWaalsContact C-N 3.3Å; T86-K88 PolarHBondContact O-N 3.1Å; T86-T89 PolarHBondContact O-N 3.29Å; T86-T89 PolarHBondContact O-OG1 2.86Å; T86-E90 PolarHBondContact O-N 3.45Å; T86-E90 VanDerWaalsContact O-N 3.17Å
87H95.3Very high95.3Very high3 Ų361.6 Ų61.61%0.01431%0.311CS..Hα-helixtrans-55.5-44.2177.6179.876.4000112.5V69 Q73 V74 V83 T84 T89 E90 T91 Y104V69-H87 PolarHBondContact O-CE1 3Å; V69-H87 VanDerWaalsContact O-CE1 3.23Å; Q73-H87 PolarHBondContact OE1-ND1 3.07Å; V74-H87 HydrophobicContact CG1-CB 3.61Å; V83-H87 WeakPolarHBondContact O-CB 3.48Å; V83-H87 PolarHBondContact O-N 3.37Å; T84-H87 PolarHBondContact O-N 3.35Å; H87-T89 PolarHBondContact O-N 3.19Å; H87-E90 PolarHBondContact O-N 3.05Å; H87-T91 WeakPolarHBondContact O-CB 3.49Å; H87-T91 WeakPolarHBondContact O-CG2 3.34Å; H87-T91 PolarHBondContact O-N 2.86Å; H87-Y104 AromaticContact NE2-CE1 3.65Å; H87-Y104 AromaticContact NE2-CZ 3.72Å; H87-Y104 PolarHBondContact NE2-OH 2.98Å
88K96.1Very high95.4Very high87 Ų8765.1 Ų65.138%0.37832%0.324SS..Hα-helixtrans-57.6-34.6176.5175.8-178.5177.4-160.40112.8F79 T84 Q85 T86 V95F79-K88 HydrophobicContact CE2-CD 4.42Å; F79-K88 HydrophobicContact CZ-CD 4.16Å; T84-K88 WeakPolarHBondContact O-CB 3.43Å; T84-K88 PolarHBondContact O-N 3.17Å; Q85-K88 WeakPolarHBondContact O-CB 3.35Å; Q85-K88 PolarHBondContact O-N 3.22Å; T86-K88 VanDerWaalsContact C-N 3.3Å; T86-K88 PolarHBondContact O-N 3.1Å; K88-V95 HydrophobicContact CB-CB 4.21Å; K88-V95 HydrophobicContact CB-CG2 4.45Å; K88-V95 WeakPolarHBondContact CE-O 3.31Å; K88-V95 HydrophobicContact CG-CB 4.06Å
89T94.2Very high95.3Very high114 Ų11467 Ų6770%0.69934%0.338SS*.Hα-helixtrans-79-29.9178.463.50000113.5Q85 T86 H87Q85-T89 PolarHBondContact O-N 3.25Å; T86-T89 PolarHBondContact O-N 3.29Å; T86-T89 PolarHBondContact O-OG1 2.86Å; H87-T89 PolarHBondContact O-N 3.19Å
90E90.7Very high95.2Very high99 Ų9970.1 Ų70.146%0.46335%0.353SS..Hα-helixtrans-83.1-37.7-178.1-67.9-177.5178.600112.7K70 T86 H87K70-E90 IonicContact NZ-OE2 3.86Å; K70-E90 PolarHBondContact NZ-OE2 3.41Å; T86-E90 PolarHBondContact O-N 3.45Å; T86-E90 VanDerWaalsContact O-N 3.17Å; H87-E90 PolarHBondContact O-N 3.05Å
91T92.9Very high95.2Very high17 Ų1769.1 Ų69.110%0.10435%0.347CS..  trans-74.7152.6-176.5-170.40000112.4H87 C93 V95H87-T91 WeakPolarHBondContact O-CB 3.49Å; H87-T91 WeakPolarHBondContact O-CG2 3.34Å; H87-T91 PolarHBondContact O-N 2.86Å; T91-C93 WeakPolarHBondContact CG2-O 3.46Å; T91-C93 PolarHBondContact OG1-N 3.06Å; T91-V95 HydrophobicContact CG2-CG2 3.81Å
92K93.1Very high95.3Very high126 Ų12667.5 Ų67.555%0.54834%0.338SS..SBendtrans-91.6-13.7174.1-59.5-53.8-179.2-165.70112.7A64A64-K92 HydrophobicContact CB-CB 3.81Å; A64-K92 HydrophobicContact CB-CG 4.1Å
93C94.2Very high95.5Very high5 Ų565.6 Ų65.63%0.03432%0.319CS..SBendtrans-74.4142170.4-70.50000110.7A65 T67 T91 V95 Y104A65-C93 WeakPolarHBondContact O-CA 3.35Å; A65-C93 PolarHBondContact O-SG 3.13Å; T67-C93 PolarHBondContact N-SG 2.6Å; T67-C93 VanDerWaalsContact N-SG 3.37Å; T67-C93 PolarHBondContact O-SG 3.27Å; T91-C93 WeakPolarHBondContact CG2-O 3.46Å; T91-C93 PolarHBondContact OG1-N 3.06Å; C93-V95 PolarHBondContact O-N 2.92Å; C93-Y104 HydrophobicContact CB-CD1 3.94Å
94Q96.1Very high95.8Very high114 Ų11463.2 Ų63.253%0.53330%0.304SS..EExtended strand (participates in β ladder)trans-73.6124.3174.5177.1160.2-17.500109.8I96 Y104 E105Q94-I96 HydrophobicContact CG-CG2 3.91Å; Q94-Y104 WeakPolarHBondContact O-CA 3.15Å; Q94-E105 HydrophobicContact CB-CB 4.15Å; Q94-E105 HydrophobicContact CG-CB 4.12Å; Q94-E105 WeakPolarHBondContact CG-OE2 3.31Å; Q94-E105 PolarHBondContact NE2-OE2 3.19Å; Q94-E105 PolarHBondContact O-N 2.95Å; Q94-E105 PolarHBondContact OE1-OE2 2.77Å
95V97.7Very high95.8Very high6 Ų665.7 Ų65.74%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-110.5119176.8-171.40000109.2F79 K88 T91 C93 P102 Y103 Y104F79-V95 HydrophobicContact CE2-CG1 4.27Å; K88-V95 HydrophobicContact CB-CB 4.21Å; K88-V95 HydrophobicContact CB-CG2 4.45Å; K88-V95 WeakPolarHBondContact CE-O 3.31Å; K88-V95 HydrophobicContact CG-CB 4.06Å; T91-V95 HydrophobicContact CG2-CG2 3.81Å; C93-V95 PolarHBondContact O-N 2.92Å; V95-P102 HydrophobicContact CG1-CB 3.89Å; V95-Y103 CarbonylContact C-O 3.49Å; V95-Y103 WeakPolarHBondContact CA-O 3.41Å; V95-Y104 HydrophobicContact CG2-CD1 3.82Å; V95-Y104 HydrophobicContact CG2-CE1 3.71Å
96I97.4Very high95.8Very high42 Ų4262.5 Ų62.522%0.21530%0.301CS..EExtended strand (participates in β ladder)trans-114.6158.6-176.868.7167.6000111.8F79 Q94 P102 Y103 E105 L114F79-I96 WeakPolarHBondContact CD2-O 3.09Å; F79-I96 WeakPolarHBondContact CE2-O 3.28Å; Q94-I96 HydrophobicContact CG-CG2 3.91Å; I96-P102 WeakPolarHBondContact O-CA 3.42Å; I96-Y103 PolarHBondContact N-O 3.49Å; I96-Y103 PolarHBondContact O-N 2.87Å; I96-E105 HydrophobicContact CG2-CB 4.46Å; I96-L114 HydrophobicContact CD1-CD1 4.03Å; I96-L114 HydrophobicContact CD1-CD2 3.4Å; I96-L114 VanDerWaalsContact CD1-CD2 3.4Å; I96-L114 HydrophobicContact CD1-CG 4.35Å; I96-L114 HydrophobicContact CG1-CD2 4.28Å
97N97.8Very high95.6Very high72 Ų7262.3 Ų62.339%0.38530%0.3SS..EExtended strand (participates in β ladder)trans-89.9125.6173.7-172.4-6.8000109.5F79 Q100F79-N97 HydrophobicContact CB-CB 4.24Å; F79-N97 HydrophobicContact CD1-CB 3.57Å; F79-N97 HydrophobicContact CD2-CB 3.8Å; F79-N97 HydrophobicContact CE1-CB 3.74Å; F79-N97 HydrophobicContact CE2-CB 3.97Å; F79-N97 HydrophobicContact CG-CB 3.58Å; F79-N97 HydrophobicContact CZ-CB 3.92Å; N97-Q100 WeakPolarHBondContact OD1-CA 3.28Å; N97-Q100 PolarHBondContact OD1-N 3.36Å
98R96.3Very high95.1Very high118 Ų11863.5 Ų63.545%0.44531%0.308SS..EExtended strand (participates in β ladder)trans-130.8115.9165.3-176.5-177.3176.7-178.70.3108Q100 M101 Y103R98-Q100 VanDerWaalsContact C-N 3.26Å; R98-Q100 PolarHBondContact O-N 2.86Å; R98-M101 PolarHBondContact N-O 3.01Å; R98-M101 PolarHBondContact O-N 3.22Å; R98-Y103 HydrophobicContact CB-CD2 3.56Å; R98-Y103 HydrophobicContact CB-CE2 3.77Å; R98-Y103 HydrophobicContact CB-CG 4.37Å; R98-Y103 HydrophobicContact CG-CD2 4.42Å; R98-Y103 HydrophobicContact CG-CE2 4.23Å
99E94.8Very high94.5Very high166 Ų16661.7 Ų61.778%0.77631%0.314SS*.THydrogen-bonded Turntrans53.342.1178.1-61.4171.4-156.700113.3M101E99-M101 PolarHBondContact O-N 2.78Å
100Q95.3Very high93.9Very high93 Ų9365.4 Ų65.444%0.43532%0.324SS..THydrogen-bonded Turntrans69.66-176.9-52-63.6-11.700115.5R78 F79 N97 R98R78-Q100 CarbonylContact C-O 3.51Å; R78-Q100 WeakPolarHBondContact CA-O 3.3Å; F79-Q100 PolarHBondContact N-O 3.48Å; N97-Q100 WeakPolarHBondContact OD1-CA 3.28Å; N97-Q100 PolarHBondContact OD1-N 3.36Å; R98-Q100 VanDerWaalsContact C-N 3.26Å; R98-Q100 PolarHBondContact O-N 2.86Å
101M96.8Very high93.8Very high65 Ų6567.8 Ų67.832%0.3233%0.334SS..EExtended strand (participates in β ladder)trans-109.9144.5177.3-62.1-58.1-69.300111.1R78 R98 E99 Y103R78-M101 HydrophobicContact CG-SD 4.41Å; R98-M101 PolarHBondContact N-O 3.01Å; R98-M101 PolarHBondContact O-N 3.22Å; E99-M101 PolarHBondContact O-N 2.78Å; M101-Y103 HydrophobicContact CB-CE2 4.08Å
102P97.8Very high93.7Very high3 Ų370.6 Ų70.62%0.01935%0.352CS..EExtended strand (participates in β ladder)trans-75.9136.3176.530.6-31.8000111.3R77 F79 T84 V95 I96 P117R77-P102 WeakPolarHBondContact O-CD 3.35Å; F79-P102 HydrophobicContact CD2-CB 4.13Å; T84-P102 HydrophobicContact CG2-CB 3.85Å; T84-P102 HydrophobicContact CG2-CG 4.07Å; V95-P102 HydrophobicContact CG1-CB 3.89Å; I96-P102 WeakPolarHBondContact O-CA 3.42Å; P102-P117 HydrophobicContact CG-CG 4.08Å; P102-P117 WeakPolarHBondContact O-CD 3.32Å
103Y98.3Very high93.8Very high57 Ų5770.1 Ų70.122%0.22435%0.35CS..EExtended strand (participates in β ladder)trans-127.9142.8169.7-78.1-102.4000110V95 I96 R98 M101 L114 A116V95-Y103 CarbonylContact C-O 3.49Å; V95-Y103 WeakPolarHBondContact CA-O 3.41Å; I96-Y103 PolarHBondContact N-O 3.49Å; I96-Y103 PolarHBondContact O-N 2.87Å; R98-Y103 HydrophobicContact CB-CD2 3.56Å; R98-Y103 HydrophobicContact CB-CE2 3.77Å; R98-Y103 HydrophobicContact CB-CG 4.37Å; R98-Y103 HydrophobicContact CG-CD2 4.42Å; R98-Y103 HydrophobicContact CG-CE2 4.23Å; M101-Y103 HydrophobicContact CB-CE2 4.08Å; Y103-L114 HydrophobicContact CD1-CB 4Å; Y103-A116 HydrophobicContact CD1-CB 4.17Å; Y103-A116 HydrophobicContact CE1-CB 3.73Å
104Y98.1Very high93.9Very high2 Ų272.8 Ų72.81%0.00836%0.363CS..EExtended strand (participates in β ladder)trans-83.6127.9168.2-60.9-79.2000109.4V68 V71 V74 H87 C93 Q94 V95 L114 V115 P117 V120V68-Y104 HydrophobicContact CG1-CD1 4.19Å; V68-Y104 HydrophobicContact CG1-CD2 4.14Å; V68-Y104 HydrophobicContact CG1-CE1 3.75Å; V68-Y104 HydrophobicContact CG1-CE2 3.69Å; V68-Y104 HydrophobicContact CG1-CG 4.37Å; V68-Y104 VanDerWaalsContact CG1-CZ 3.47Å; V68-Y104 HydrophobicContact CG2-CD1 3.95Å; V68-Y104 HydrophobicContact CG2-CD2 4.16Å; V68-Y104 HydrophobicContact CG2-CE1 4.35Å; V68-Y104 HydrophobicContact CG2-CG 3.84Å; V71-Y104 HydrophobicContact CG2-CE2 3.86Å; V74-Y104 HydrophobicContact CG2-CE2 4.47Å; V74-Y104 VanDerWaalsContact CG2-OH 3.25Å; V74-Y104 WeakPolarHBondContact CG2-OH 3.04Å; H87-Y104 AromaticContact NE2-CE1 3.65Å; H87-Y104 AromaticContact NE2-CZ 3.72Å; H87-Y104 PolarHBondContact NE2-OH 2.98Å; C93-Y104 HydrophobicContact CB-CD1 3.94Å; Q94-Y104 WeakPolarHBondContact O-CA 3.15Å; V95-Y104 HydrophobicContact CG2-CD1 3.82Å; V95-Y104 HydrophobicContact CG2-CE1 3.71Å; Y104-L114 WeakPolarHBondContact O-CA 3.33Å; Y104-V115 PolarHBondContact N-O 3.33Å; Y104-V115 PolarHBondContact O-N 3.42Å; Y104-P117 HydrophobicContact CE2-CG 4.19Å; Y104-V120 HydrophobicContact CD2-CG2 4.04Å; Y104-V120 HydrophobicContact CE2-CG2 4.2Å
105E96.9Very high94Very high51 Ų5167.5 Ų67.524%0.23834%0.339CS..EExtended strand (participates in β ladder)trans-90.3115.3170.9-171.3169.6-134.700108.7Q94 I96 T112 L114Q94-E105 HydrophobicContact CB-CB 4.15Å; Q94-E105 HydrophobicContact CG-CB 4.12Å; Q94-E105 WeakPolarHBondContact CG-OE2 3.31Å; Q94-E105 PolarHBondContact NE2-OE2 3.19Å; Q94-E105 PolarHBondContact O-N 2.95Å; Q94-E105 PolarHBondContact OE1-OE2 2.77Å; I96-E105 HydrophobicContact CG2-CB 4.46Å; E105-T112 HydrophobicContact CG-CG2 3.23Å; E105-T112 WeakPolarHBondContact OE1-CG2 3.15Å; E105-L114 HydrophobicContact CB-CD2 4.2Å; E105-L114 HydrophobicContact CG-CD2 4.17Å
106I96.2Very high94Very high1 Ų167.7 Ų67.71%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-119124.7-173.6-58.6-61.5000108.8Y45 N66 V68 T112 K113 V115Y45-I106 HydrophobicContact CD1-CG2 4.28Å; Y45-I106 HydrophobicContact CD2-CD1 3.89Å; Y45-I106 HydrophobicContact CD2-CG1 4.07Å; Y45-I106 HydrophobicContact CD2-CG2 4.09Å; Y45-I106 HydrophobicContact CE2-CD1 4.32Å; Y45-I106 HydrophobicContact CE2-CG1 4.39Å; Y45-I106 HydrophobicContact CG-CG1 4.36Å; Y45-I106 HydrophobicContact CG-CG2 3.66Å; N66-I106 HydrophobicContact CB-CG2 4.24Å; V68-I106 HydrophobicContact CG2-CD1 4.13Å; I106-T112 CarbonylContact O-C 3.6Å; I106-T112 WeakPolarHBondContact O-CA 3.38Å; I106-K113 PolarHBondContact N-O 2.85Å; I106-K113 PolarHBondContact O-N 2.82Å; I106-V115 HydrophobicContact CB-CG2 4.34Å; I106-V115 HydrophobicContact CG1-CB 4.34Å; I106-V115 HydrophobicContact CG1-CG2 3.79Å
107T92.5Very high94Very high67 Ų6765.8 Ų65.841%0.41133%0.331SS..EExtended strand (participates in β ladder)trans-100.4115.2178.7-53.10000110.2N66N66-T107 PolarHBondContact ND2-O 3.34Å; N66-T107 PolarHBondContact OD1-N 2.93Å; N66-T107 PolarHBondContact OD1-O 3.33Å
108C84.6Confident94Very high29 Ų2964.5 Ų64.520%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-116.9107.4176-70.30000107.9R46 D47 E110 H111R46-C108 PolarHBondContact O-SG 3.39Å; D47-C108 WeakPolarHBondContact OD1-CA 3.25Å; C108-E110 PolarHBondContact O-N 3.22Å; C108-H111 PolarHBondContact N-O 3.27Å; C108-H111 PolarHBondContact O-N 2.78Å
109G82.2Confident94.1Very high49 Ų4961.9 Ų61.951%0.50532%0.318SS..THydrogen-bonded Turntrans57.1-123.6-17100000111.9D47 H111D47-G109 PolarHBondContact OD1-N 3.15Å; G109-H111 VanDerWaalsContact C-N 3.35Å
110E83Confident94.3Very high192 Ų19254 Ų5490%0.89728%0.281SS*.THydrogen-bonded Turntrans-87.2-4.4177.9-60.3-172163.600113.4C108C108-E110 PolarHBondContact O-N 3.22Å
111H87.1Confident94.4Very high148 Ų14849.6 Ų49.669%0.68526%0.26SS*.EExtended strand (participates in β ladder)trans-105.3135.8-174.6-62.2-63.3000112C108 G109C108-H111 PolarHBondContact N-O 3.27Å; C108-H111 PolarHBondContact O-N 2.78Å; G109-H111 VanDerWaalsContact C-N 3.35Å
112T92.6Very high94.5Very high77 Ų7749.6 Ų49.647%0.47226%0.258SS..EExtended strand (participates in β ladder)trans-102.5127.3171-62.70000109.4E105 I106E105-T112 HydrophobicContact CG-CG2 3.23Å; E105-T112 WeakPolarHBondContact OE1-CG2 3.15Å; I106-T112 CarbonylContact O-C 3.6Å; I106-T112 WeakPolarHBondContact O-CA 3.38Å
113K94Very high94.6Very high116 Ų11650.5 Ų50.550%0.50426%0.263SS..EExtended strand (participates in β ladder)trans-116.2136.2179.3-176.1178179.4-179.50109.9I106 V115I106-K113 PolarHBondContact N-O 2.85Å; I106-K113 PolarHBondContact O-N 2.82Å; K113-V115 HydrophobicContact CD-CG2 4.25Å; K113-V115 HydrophobicContact CG-CG2 4.16Å
114L96.4Very high94.6Very high60 Ų6048 Ų4831%0.31425%0.253SS..EExtended strand (participates in β ladder)trans-89.6126.4169.5-56.6-174.4000109.6I96 Y103 Y104 E105I96-L114 HydrophobicContact CD1-CD1 4.03Å; I96-L114 HydrophobicContact CD1-CD2 3.4Å; I96-L114 VanDerWaalsContact CD1-CD2 3.4Å; I96-L114 HydrophobicContact CD1-CG 4.35Å; I96-L114 HydrophobicContact CG1-CD2 4.28Å; Y103-L114 HydrophobicContact CD1-CB 4Å; Y104-L114 WeakPolarHBondContact O-CA 3.33Å; E105-L114 HydrophobicContact CB-CD2 4.2Å; E105-L114 HydrophobicContact CG-CD2 4.17Å
115V97.6Very high94.6Very high4 Ų447.9 Ų47.92%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-120.3122.5-178.1-1770000109.3Y45 Y104 I106 K113 D119 V120Y45-V115 HydrophobicContact CE1-CG1 4.49Å; Y45-V115 HydrophobicContact CE1-CG2 4.3Å; Y45-V115 WeakPolarHBondContact OH-CG1 3.45Å; Y104-V115 PolarHBondContact N-O 3.33Å; Y104-V115 PolarHBondContact O-N 3.42Å; I106-V115 HydrophobicContact CB-CG2 4.34Å; I106-V115 HydrophobicContact CG1-CB 4.34Å; I106-V115 HydrophobicContact CG1-CG2 3.79Å; K113-V115 HydrophobicContact CD-CG2 4.25Å; K113-V115 HydrophobicContact CG-CG2 4.16Å; V115-D119 HydrophobicContact CG1-CB 3.96Å; V115-V120 HydrophobicContact CG1-CG2 3.75Å
116A97.8Very high94.7Very high9 Ų950.7 Ų50.77%0.07426%0.264CS..  trans-74.4149.617600000111.1Y103 E118 D119 V120Y103-A116 HydrophobicContact CD1-CB 4.17Å; Y103-A116 HydrophobicContact CE1-CB 3.73Å; A116-E118 PolarHBondContact O-N 3Å; A116-D119 WeakPolarHBondContact O-CB 3.38Å; A116-D119 PolarHBondContact O-N 2.95Å; A116-V120 PolarHBondContact O-N 2.82Å
117P98.2Very high94.8Very high2 Ų252 Ų521%0.01327%0.27CS..Hα-helixtrans-51.1-37.1171.8-28.635.2000113.9V71 V74 L75 P102 Y104 D119 V120 A121V71-P117 HydrophobicContact CG2-CB 3.75Å; V74-P117 HydrophobicContact CG2-CB 4.07Å; V74-P117 HydrophobicContact CG2-CG 3.91Å; L75-P117 HydrophobicContact CD1-CB 4.18Å; P102-P117 HydrophobicContact CG-CG 4.08Å; P102-P117 WeakPolarHBondContact O-CD 3.32Å; Y104-P117 HydrophobicContact CE2-CG 4.19Å; P117-D119 VanDerWaalsContact C-N 3.33Å; P117-D119 PolarHBondContact O-N 3.2Å; P117-V120 PolarHBondContact O-N 2.75Å; P117-A121 WeakPolarHBondContact O-CB 3.23Å; P117-A121 PolarHBondContact O-N 3.36Å
118E97.9Very high95.1Very high46 Ų4648.8 Ų48.822%0.21525%0.251CS..Hα-helixtrans-61.6-39.1176.6-69.272.3-162.900111.9L75 A116 A121 K122 S158L75-E118 HydrophobicContact CD1-CB 4.38Å; L75-E118 HydrophobicContact CD1-CG 3.86Å; A116-E118 PolarHBondContact O-N 3Å; E118-A121 PolarHBondContact O-N 2.93Å; E118-K122 WeakPolarHBondContact O-CB 3.35Å; E118-K122 PolarHBondContact O-N 3.29Å; E118-S158 PolarHBondContact OE1-OG 2.91Å
119D98.2Very high95.7Very high63 Ų6349.2 Ų49.234%0.33725%0.249SC..Hα-helixtrans-68.5-37.6176.6-76.7-48.4000112V115 A116 P117 K122 L123V115-D119 HydrophobicContact CG1-CB 3.96Å; A116-D119 WeakPolarHBondContact O-CB 3.38Å; A116-D119 PolarHBondContact O-N 2.95Å; P117-D119 VanDerWaalsContact C-N 3.33Å; P117-D119 PolarHBondContact O-N 3.2Å; D119-K122 IonicContact OD1-NZ 3.96Å; D119-K122 PolarHBondContact OD1-NZ 2.66Å; D119-L123 WeakPolarHBondContact O-CG 3.31Å; D119-L123 PolarHBondContact O-N 2.77Å
120V98.6Very high96.4Very high1 Ų151 Ų511%0.00624%0.244CC..Hα-helixtrans-66.2-45.4174.3-172.90000110.1V43 V68 V71 Y104 V115 A116 P117 K122 L123 I124V43-V120 HydrophobicContact CB-CG1 3.9Å; V43-V120 HydrophobicContact CG2-CG1 3.58Å; V68-V120 HydrophobicContact CB-CG1 4.12Å; V68-V120 HydrophobicContact CG1-CG1 3.91Å; V68-V120 HydrophobicContact CG1-CG2 4.25Å; V68-V120 HydrophobicContact CG2-CG2 4.43Å; V71-V120 HydrophobicContact CB-CB 4.24Å; V71-V120 HydrophobicContact CB-CG1 3.93Å; V71-V120 HydrophobicContact CG1-CB 4.17Å; V71-V120 HydrophobicContact CG1-CG1 3.77Å; V71-V120 HydrophobicContact CG2-CB 3.79Å; V71-V120 HydrophobicContact CG2-CG1 4.04Å; V71-V120 HydrophobicContact CG2-CG2 4.22Å; Y104-V120 HydrophobicContact CD2-CG2 4.04Å; Y104-V120 HydrophobicContact CE2-CG2 4.2Å; V115-V120 HydrophobicContact CG1-CG2 3.75Å; A116-V120 PolarHBondContact O-N 2.82Å; P117-V120 PolarHBondContact O-N 2.75Å; V120-K122 VanDerWaalsContact C-N 3.32Å; V120-K122 PolarHBondContact O-N 2.71Å; V120-L123 PolarHBondContact O-N 2.83Å; V120-I124 PolarHBondContact O-N 3.26Å
121A98.6Very high97.1Very high0 Ų042.2 Ų42.20%020%0.204CC..Hα-helixtrans-60.1-41.9176.900000111.8F12 L75 P117 E118 L123 I124 F125 A162F12-A121 HydrophobicContact CE1-CB 3.89Å; L75-A121 HydrophobicContact CD1-CB 4.11Å; L75-A121 HydrophobicContact CD2-CB 4.32Å; P117-A121 WeakPolarHBondContact O-CB 3.23Å; P117-A121 PolarHBondContact O-N 3.36Å; E118-A121 PolarHBondContact O-N 2.93Å; A121-L123 VanDerWaalsContact C-N 3.31Å; A121-L123 PolarHBondContact O-N 2.79Å; A121-I124 WeakPolarHBondContact O-CB 3.4Å; A121-I124 PolarHBondContact O-N 3.46Å; A121-I124 VanDerWaalsContact O-N 3.14Å; A121-F125 VanDerWaalsContact O-CD2 3.31Å; A121-F125 WeakPolarHBondContact O-CD2 3.44Å; A121-F125 PolarHBondContact O-N 3.18Å; A121-A162 HydrophobicContact CB-CB 3.76Å
122K98.7Very high97.6Very high64 Ų6435.1 Ų35.128%0.27817%0.171SC..Hα-helixtrans-57.5-40.9174.6176.2179.365.2-160.40112.3E118 D119 V120 I124 F125 K126 A165 A166E118-K122 WeakPolarHBondContact O-CB 3.35Å; E118-K122 PolarHBondContact O-N 3.29Å; D119-K122 IonicContact OD1-NZ 3.96Å; D119-K122 PolarHBondContact OD1-NZ 2.66Å; V120-K122 VanDerWaalsContact C-N 3.32Å; V120-K122 PolarHBondContact O-N 2.71Å; K122-I124 VanDerWaalsContact C-N 3.33Å; K122-I124 PolarHBondContact O-N 2.8Å; K122-F125 PolarHBondContact O-N 2.97Å; K122-K126 WeakPolarHBondContact O-CB 3.33Å; K122-K126 PolarHBondContact O-N 3.28Å; K122-A165 HydrophobicContact CD-CB 3.75Å; K122-A165 HydrophobicContact CG-CB 4.27Å; K122-A166 HydrophobicContact CG-CB 4.27Å
123L98.7Very high97.7Very high23 Ų2333.7 Ų33.712%0.1216%0.159CC..Hα-helixtrans-65.2-37176.8-67.9171.9000112.3V43 Y45 Q50 V52 D119 V120 A121 K126 K127V43-L123 HydrophobicContact CG1-CD1 3.73Å; V43-L123 HydrophobicContact CG2-CB 4.38Å; Y45-L123 HydrophobicContact CE1-CD1 4.2Å; Q50-L123 HydrophobicContact CB-CD1 4.28Å; Q50-L123 HydrophobicContact CG-CD1 4.35Å; Q50-L123 VanDerWaalsContact OE1-CD2 3.26Å; V52-L123 HydrophobicContact CG2-CB 4.07Å; D119-L123 WeakPolarHBondContact O-CG 3.31Å; D119-L123 PolarHBondContact O-N 2.77Å; V120-L123 PolarHBondContact O-N 2.83Å; A121-L123 VanDerWaalsContact C-N 3.31Å; A121-L123 PolarHBondContact O-N 2.79Å; L123-K126 PolarHBondContact O-N 3.49Å; L123-K127 PolarHBondContact O-N 3.38Å
124I98.7Very high97.7Very high3 Ų333 Ų332%0.01517%0.169CC..Hα-helixtrans-66.3-46.3174.7-64.6163.9000110.3F12 A17 A41 V43 V52 V71 V120 A121 K122 K126 K127 M128F12-I124 HydrophobicContact CD2-CG2 4.23Å; F12-I124 HydrophobicContact CE1-CB 4.42Å; F12-I124 HydrophobicContact CE1-CD1 4.32Å; F12-I124 HydrophobicContact CE1-CG2 4.32Å; F12-I124 HydrophobicContact CE2-CD1 3.85Å; F12-I124 HydrophobicContact CE2-CG2 4.07Å; F12-I124 HydrophobicContact CG-CG2 4.5Å; F12-I124 HydrophobicContact CZ-CB 4.27Å; F12-I124 HydrophobicContact CZ-CD1 3.46Å; F12-I124 VanDerWaalsContact CZ-CD1 3.46Å; F12-I124 HydrophobicContact CZ-CG1 4.46Å; F12-I124 HydrophobicContact CZ-CG2 4.12Å; A17-I124 HydrophobicContact CB-CG2 3.88Å; A41-I124 HydrophobicContact CB-CD1 4.05Å; V43-I124 HydrophobicContact CG2-CD1 4.18Å; V43-I124 HydrophobicContact CG2-CG1 3.83Å; V52-I124 HydrophobicContact CG1-CG1 4.26Å; V71-I124 HydrophobicContact CG1-CD1 3.87Å; V120-I124 PolarHBondContact O-N 3.26Å; A121-I124 WeakPolarHBondContact O-CB 3.4Å; A121-I124 PolarHBondContact O-N 3.46Å; A121-I124 VanDerWaalsContact O-N 3.14Å; K122-I124 VanDerWaalsContact C-N 3.33Å; K122-I124 PolarHBondContact O-N 2.8Å; I124-K126 VanDerWaalsContact C-N 3.33Å; I124-K126 PolarHBondContact O-N 3.46Å; I124-K127 PolarHBondContact O-N 3Å; I124-M128 WeakPolarHBondContact O-CG 3.47Å; I124-M128 PolarHBondContact O-N 3Å
125F98.7Very high97.6Very high1 Ų132.9 Ų32.90%0.00418%0.176CC..Hα-helixtrans-61.3-40.6174.5-80.8-64.7000112.3I10 F12 A121 K122 K127 M128 K129 I145 L159 A162 A163 A166 F168I10-F125 HydrophobicContact CD1-CD1 4.12Å; I10-F125 HydrophobicContact CD1-CE1 4.34Å; I10-F125 HydrophobicContact CG2-CD1 4.32Å; I10-F125 HydrophobicContact CG2-CE1 3.92Å; F12-F125 HydrophobicContact CB-CE1 4.49Å; F12-F125 HydrophobicContact CB-CZ 4.33Å; F12-F125 HydrophobicContact CD1-CD2 4.35Å; F12-F125 HydrophobicContact CD1-CE1 4.43Å; F12-F125 AromaticContact CD1-CE2 3.73Å; F12-F125 HydrophobicContact CD1-CE2 3.73Å; F12-F125 AromaticContact CD1-CZ 3.77Å; F12-F125 HydrophobicContact CD1-CZ 3.77Å; F12-F125 HydrophobicContact CE1-CE2 4.22Å; A121-F125 VanDerWaalsContact O-CD2 3.31Å; A121-F125 WeakPolarHBondContact O-CD2 3.44Å; A121-F125 PolarHBondContact O-N 3.18Å; K122-F125 PolarHBondContact O-N 2.97Å; F125-K127 VanDerWaalsContact C-N 3.3Å; F125-K127 PolarHBondContact O-N 2.8Å; F125-M128 WeakPolarHBondContact O-CA 3.38Å; F125-M128 WeakPolarHBondContact O-CB 3.22Å; F125-M128 PolarHBondContact O-N 3.36Å; F125-K129 PolarHBondContact O-N 2.94Å; F125-I145 HydrophobicContact CE1-CD1 3.98Å; F125-I145 HydrophobicContact CE1-CG1 4.41Å; F125-I145 HydrophobicContact CE1-CG2 4.28Å; F125-I145 HydrophobicContact CZ-CD1 4.14Å; F125-I145 HydrophobicContact CZ-CG2 4.18Å; F125-L159 HydrophobicContact CE2-CD1 3.77Å; F125-L159 HydrophobicContact CE2-CG 4.29Å; F125-L159 HydrophobicContact CZ-CD1 3.77Å; F125-L159 HydrophobicContact CZ-CG 4.05Å; F125-A162 HydrophobicContact CD2-CB 4.07Å; F125-A162 HydrophobicContact CE2-CB 4.14Å; F125-A163 HydrophobicContact CD1-CB 3.88Å; F125-A163 HydrophobicContact CD2-CB 3.92Å; F125-A163 HydrophobicContact CE1-CB 3.82Å; F125-A163 HydrophobicContact CE2-CB 3.85Å; F125-A163 HydrophobicContact CG-CB 3.94Å; F125-A163 HydrophobicContact CZ-CB 3.8Å; F125-A166 HydrophobicContact CB-CB 3.51Å; F125-F168 HydrophobicContact CB-CD2 4.39Å; F125-F168 HydrophobicContact CB-CE2 4.06Å; F125-F168 HydrophobicContact CD1-CD2 4.37Å; F125-F168 HydrophobicContact CD1-CE2 4.1Å; F125-F168 WeakPolarHBondContact O-CE2 3.48Å
126K98.4Very high97.3Very high109 Ų10933.7 Ų33.747%0.47418%0.18SC..Hα-helixtrans-58.3-43.5175.7-171.7-178.6175.7-173.20111.2K122 L123 I124 M128 K129 E130 A166K122-K126 WeakPolarHBondContact O-CB 3.33Å; K122-K126 PolarHBondContact O-N 3.28Å; L123-K126 PolarHBondContact O-N 3.49Å; I124-K126 VanDerWaalsContact C-N 3.33Å; I124-K126 PolarHBondContact O-N 3.46Å; K126-M128 VanDerWaalsContact C-N 3.33Å; K126-M128 PolarHBondContact O-N 3.24Å; K126-K129 WeakPolarHBondContact O-CB 3.29Å; K126-K129 PolarHBondContact O-N 3.14Å; K126-E130 VanDerWaalsContact CE-OE1 3.3Å; K126-E130 WeakPolarHBondContact CE-OE1 3.28Å; K126-E130 WeakPolarHBondContact O-CG 3.2Å; K126-E130 PolarHBondContact O-N 2.95Å; K126-A166 HydrophobicContact CB-CB 4.41Å
127K98.2Very high97Very high28 Ų2836.7 Ų36.712%0.12221%0.213CC..Hα-helixtrans-62.6-38.1174.4-174.660.5176.4-178.40112.6D33 T39 V52 L123 I124 F125 K129 T131D33-K127 WeakPolarHBondContact OD1-CE 3.14Å; D33-K127 IonicContact OD1-NZ 3.68Å; D33-K127 PolarHBondContact OD1-NZ 2.8Å; D33-K127 IonicContact OD2-NZ 3.95Å; D33-K127 PolarHBondContact OD2-NZ 3.02Å; T39-K127 HydrophobicContact CG2-CG 4.3Å; V52-K127 HydrophobicContact CB-CB 4.22Å; V52-K127 HydrophobicContact CB-CG 4.35Å; V52-K127 HydrophobicContact CG1-CB 3.83Å; V52-K127 HydrophobicContact CG1-CG 4.08Å; L123-K127 PolarHBondContact O-N 3.38Å; I124-K127 PolarHBondContact O-N 3Å; F125-K127 VanDerWaalsContact C-N 3.3Å; F125-K127 PolarHBondContact O-N 2.8Å; K127-K129 VanDerWaalsContact C-N 3.34Å; K127-T131 WeakPolarHBondContact O-CB 3.33Å; K127-T131 PolarHBondContact O-N 2.65Å; K127-T131 PolarHBondContact O-OG1 2.89Å
128M98.4Very high96.5Very high1 Ų138.8 Ų38.81%0.00523%0.227CC..Hα-helixtrans-66-38.3174.8-63.7-59.791.200111.7I10 A17 V19 T39 I124 F125 K126 T131 A132 F168I10-M128 HydrophobicContact CD1-CB 4.3Å; I10-M128 HydrophobicContact CG2-CG 4.37Å; A17-M128 HydrophobicContact CB-CE 4.26Å; A17-M128 HydrophobicContact CB-CG 4.09Å; A17-M128 HydrophobicContact CB-SD 3.63Å; V19-M128 HydrophobicContact CB-CB 4.32Å; V19-M128 HydrophobicContact CB-SD 3.98Å; V19-M128 HydrophobicContact CG1-SD 3.91Å; T39-M128 HydrophobicContact CG2-CE 3.87Å; I124-M128 WeakPolarHBondContact O-CG 3.47Å; I124-M128 PolarHBondContact O-N 3Å; F125-M128 WeakPolarHBondContact O-CA 3.38Å; F125-M128 WeakPolarHBondContact O-CB 3.22Å; F125-M128 PolarHBondContact O-N 3.36Å; K126-M128 VanDerWaalsContact C-N 3.33Å; K126-M128 PolarHBondContact O-N 3.24Å; M128-T131 PolarHBondContact O-N 3.22Å; M128-A132 WeakPolarHBondContact O-CB 3.42Å; M128-A132 PolarHBondContact O-N 2.92Å; M128-F168 HydrophobicContact CB-CZ 4.48Å
129K97.7Very high96.1Very high37 Ų3743.1 Ų43.116%0.16125%0.252CS..Hα-helixtrans-63.5-51175.8-172.4175.3170.71720111.2F125 K126 K127 T131 A132 Q133 A166 G167 F168F125-K129 PolarHBondContact O-N 2.94Å; K126-K129 WeakPolarHBondContact O-CB 3.29Å; K126-K129 PolarHBondContact O-N 3.14Å; K127-K129 VanDerWaalsContact C-N 3.34Å; K129-T131 PolarHBondContact O-N 3.21Å; K129-A132 PolarHBondContact O-N 3.48Å; K129-A132 VanDerWaalsContact O-N 3.16Å; K129-Q133 HydrophobicContact CG-CG 4.21Å; K129-Q133 WeakPolarHBondContact O-CB 3.44Å; K129-Q133 WeakPolarHBondContact O-CG 3.43Å; K129-Q133 PolarHBondContact O-N 3.14Å; K129-A166 VanDerWaalsContact CD-O 3.3Å; K129-A166 WeakPolarHBondContact CD-O 3.33Å; K129-G167 PolarHBondContact NZ-O 3.32Å; K129-F168 VanDerWaalsContact CA-CZ 3.45Å; K129-F168 HydrophobicContact CB-CE1 4Å; K129-F168 HydrophobicContact CB-CE2 3.8Å; K129-F168 HydrophobicContact CB-CZ 3.4Å; K129-F168 HydrophobicContact CG-CE1 4.1Å; K129-F168 HydrophobicContact CG-CZ 4.01Å
130E96.9Very high95.7Very high87 Ų8741.3 Ų41.341%0.40724%0.243SC..Hα-helixtrans-54.8-43.2176.5-71.6165.3-175.400111.2K126 S134K126-E130 VanDerWaalsContact CE-OE1 3.3Å; K126-E130 WeakPolarHBondContact CE-OE1 3.28Å; K126-E130 WeakPolarHBondContact O-CG 3.2Å; K126-E130 PolarHBondContact O-N 2.95Å; E130-S134 VanDerWaalsContact O-CB 3.27Å; E130-S134 WeakPolarHBondContact O-CB 3.39Å; E130-S134 PolarHBondContact O-N 3.38Å
131T97.6Very high95.5Very high7 Ų743.3 Ų43.34%0.04326%0.255CS..Hα-helixtrans-64-46.9177.8-57.40000111.9V19 V30 A31 N32 K127 M128 K129 A135V19-T131 HydrophobicContact CG1-CG2 3.8Å; V30-T131 HydrophobicContact CG2-CG2 3.88Å; A31-T131 WeakPolarHBondContact O-CG2 3.34Å; N32-T131 HydrophobicContact CB-CG2 4.2Å; K127-T131 WeakPolarHBondContact O-CB 3.33Å; K127-T131 PolarHBondContact O-N 2.65Å; K127-T131 PolarHBondContact O-OG1 2.89Å; M128-T131 PolarHBondContact O-N 3.22Å; K129-T131 PolarHBondContact O-N 3.21Å; T131-A135 PolarHBondContact O-N 2.82Å; T131-A135 VanDerWaalsContact O-N 3.17Å
132A97Very high95.3Very high0 Ų045.7 Ų45.70%027%0.268CS..Hα-helixtrans-65.7-44.8178.900000112.7I8 V19 V21 M128 K129 A135 L136I8-A132 HydrophobicContact CD1-CB 3.67Å; I8-A132 HydrophobicContact CG1-CB 4.13Å; I8-A132 HydrophobicContact CG2-CB 4.24Å; V19-A132 HydrophobicContact CG2-CB 3.94Å; V21-A132 HydrophobicContact CG1-CB 4.27Å; M128-A132 WeakPolarHBondContact O-CB 3.42Å; M128-A132 PolarHBondContact O-N 2.92Å; K129-A132 PolarHBondContact O-N 3.48Å; K129-A132 VanDerWaalsContact O-N 3.16Å; A132-A135 PolarHBondContact O-N 2.9Å; A132-L136 WeakPolarHBondContact O-CB 3.3Å; A132-L136 WeakPolarHBondContact O-CG 3.48Å; A132-L136 PolarHBondContact O-N 3.46Å
133Q94.9Very high95.2Very high46 Ų4642.6 Ų42.622%0.21526%0.255CS..Hα-helixtrans-63.9-41.2178.6-70.4-178.6-56.200111.4K129 A135 L136 G137 D139K129-Q133 HydrophobicContact CG-CG 4.21Å; K129-Q133 WeakPolarHBondContact O-CB 3.44Å; K129-Q133 WeakPolarHBondContact O-CG 3.43Å; K129-Q133 PolarHBondContact O-N 3.14Å; Q133-A135 VanDerWaalsContact C-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.3Å; Q133-L136 PolarHBondContact O-N 2.76Å; Q133-G137 WeakPolarHBondContact O-CA 3.46Å; Q133-G137 PolarHBondContact O-N 2.81Å; Q133-D139 PolarHBondContact NE2-OD1 3.33Å
134S94.7Very high95.2Very high103 Ų10341.5 Ų41.572%0.7225%0.249SC*.Hα-helixtrans-60.6-37.8174.9-173.70000112.3E130E130-S134 VanDerWaalsContact O-CB 3.27Å; E130-S134 WeakPolarHBondContact O-CB 3.39Å; E130-S134 PolarHBondContact O-N 3.38Å
135A93.7Very high95.2Very high57 Ų5741.4 Ų41.447%0.47125%0.248SC..Hα-helixtrans-77.3-36.5179.800000113V30 T131 A132 Q133V30-A135 HydrophobicContact CB-CB 3.67Å; V30-A135 HydrophobicContact CG1-CB 3.46Å; V30-A135 VanDerWaalsContact CG1-CB 3.46Å; V30-A135 HydrophobicContact CG2-CB 4.16Å; T131-A135 PolarHBondContact O-N 2.82Å; T131-A135 VanDerWaalsContact O-N 3.17Å; A132-A135 PolarHBondContact O-N 2.9Å; Q133-A135 VanDerWaalsContact C-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.3Å
136L91.4Very high95.1Very high20 Ų2041.3 Ų41.311%0.10525%0.248CC..Hα-helixtrans-81.9-25.8-179.4-72.5170.8000113.2I8 V21 K23 A132 Q133 S138 V140I8-L136 HydrophobicContact CG1-CD1 4.35Å; V21-L136 HydrophobicContact CB-CD1 4.28Å; V21-L136 HydrophobicContact CB-CD2 3.99Å; V21-L136 HydrophobicContact CB-CG 4.2Å; V21-L136 HydrophobicContact CG1-CD1 3.93Å; V21-L136 HydrophobicContact CG1-CD2 4.28Å; V21-L136 HydrophobicContact CG1-CG 3.93Å; V21-L136 HydrophobicContact CG2-CD2 4.13Å; K23-L136 HydrophobicContact CD-CD2 4.27Å; A132-L136 WeakPolarHBondContact O-CB 3.3Å; A132-L136 WeakPolarHBondContact O-CG 3.48Å; A132-L136 PolarHBondContact O-N 3.46Å; Q133-L136 PolarHBondContact O-N 2.76Å; L136-S138 PolarHBondContact O-N 2.84Å; L136-V140 HydrophobicContact CD1-CB 3.94Å; L136-V140 HydrophobicContact CD1-CG1 4.29Å; L136-V140 HydrophobicContact CD1-CG2 4.2Å
137G91.1Very high94.8Very high73 Ų7336.2 Ų36.275%0.75323%0.226SC*.THydrogen-bonded Turntrans66.425.2-171.300000112.9Q133Q133-G137 WeakPolarHBondContact O-CA 3.46Å; Q133-G137 PolarHBondContact O-N 2.81Å
138S88.6Confident94.4Very high46 Ų4635 Ų3532%0.32222%0.22SC..SBendtrans-148.8161.2-175.566.30000112.4L136 V140L136-S138 PolarHBondContact O-N 2.84Å; S138-V140 PolarHBondContact O-N 2.83Å; S138-V140 VanDerWaalsContact O-N 3.15Å; S138-V140 VanDerWaalsContact OG-CG2 3.24Å; S138-V140 WeakPolarHBondContact OG-CG2 3.42Å
139D89.5Confident93.7Very high137 Ų13738.7 Ų38.773%0.73324%0.237SC*.  trans-85.537.1-179.8-69.6-44.7000113.6Q133 T141Q133-D139 PolarHBondContact NE2-OD1 3.33Å; D139-T141 PolarHBondContact O-N 2.78Å
140V89.6Confident92.9Very high24 Ų2440.2 Ų40.215%0.14525%0.245CC..  trans-61.8129.4177.3172.80000109.5S6 I8 L136 S138S6-V140 VanDerWaalsContact O-CG1 3.3Å; S6-V140 WeakPolarHBondContact O-CG1 3.25Å; I8-V140 HydrophobicContact CD1-CG1 4.11Å; I8-V140 WeakPolarHBondContact CD1-O 3.15Å; I8-V140 HydrophobicContact CG1-CG1 4.09Å; L136-V140 HydrophobicContact CD1-CB 3.94Å; L136-V140 HydrophobicContact CD1-CG1 4.29Å; L136-V140 HydrophobicContact CD1-CG2 4.2Å; S138-V140 PolarHBondContact O-N 2.83Å; S138-V140 VanDerWaalsContact O-N 3.15Å; S138-V140 VanDerWaalsContact OG-CG2 3.24Å; S138-V140 WeakPolarHBondContact OG-CG2 3.42Å
141T94Very high92.3Very high44 Ų4436.4 Ų36.427%0.2723%0.227SC..  trans-123-14.8-179.356.10000113.7D139 T143 G167 H169D139-T141 PolarHBondContact O-N 2.78Å; T141-T143 PolarHBondContact O-N 3.4Å; T141-G167 VanDerWaalsContact CG2-O 3.25Å; T141-G167 WeakPolarHBondContact CG2-O 3.42Å; T141-H169 PolarHBondContact O-N 2.9Å
142D95.1Very high91.5Very high49 Ų4938.6 Ų38.626%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-62.4120.4178.3-66-48.6000111.3I8 H169 L171 V383I8-D142 PolarHBondContact N-O 2.76Å; D142-H169 WeakPolarHBondContact CA-O 3.41Å; D142-H169 IonicContact OD1-CD2 2.64Å; D142-H169 PolarHBondContact OD1-CD2 3.29Å; D142-H169 IonicContact OD1-CG 3.33Å; D142-L171 HydrophobicContact CB-CD1 3.97Å; D142-L171 HydrophobicContact CB-CD2 4.49Å; D142-L171 HydrophobicContact CB-CG 4.25Å; D142-V383 HydrophobicContact CB-CG2 3.96Å
143T97.2Very high90.8Very high0 Ų045.6 Ų45.60%028%0.278CS..EExtended strand (participates in β ladder)trans-141148.5-173.8-163.20000115.1I8 T141 I145 F168 H169 V170 L171I8-T143 CarbonylContact O-C 3.56Å; I8-T143 WeakPolarHBondContact O-CA 3.31Å; I8-T143 WeakPolarHBondContact O-CB 3.48Å; I8-T143 PolarHBondContact O-OG1 3.45Å; T141-T143 PolarHBondContact O-N 3.4Å; T143-I145 HydrophobicContact CG2-CD1 4.26Å; T143-I145 HydrophobicContact CG2-CG1 4.05Å; T143-F168 HydrophobicContact CG2-CB 3.61Å; T143-F168 HydrophobicContact CG2-CD1 3.87Å; T143-F168 HydrophobicContact CG2-CG 3.87Å; T143-H169 PolarHBondContact N-O 3.03Å; T143-V170 HydrophobicContact CG2-CB 4.41Å; T143-V170 HydrophobicContact CG2-CG2 3.96Å; T143-V170 CarbonylContact O-C 3.57Å; T143-V170 WeakPolarHBondContact O-CA 3.37Å; T143-L171 PolarHBondContact O-N 3.33Å
144V97.9Very high90.2Very high0 Ų045.9 Ų45.90%029%0.288CS..EExtended strand (participates in β ladder)trans-110.9132.3163.2172.30000109.3I8 I10 L171 R172 I174 A375 E378 A379 L382I8-V144 PolarHBondContact O-N 3.24Å; I10-V144 PolarHBondContact N-O 2.86Å; V144-L171 HydrophobicContact CG2-CB 4.32Å; V144-R172 WeakPolarHBondContact CA-O 3.45Å; V144-R172 HydrophobicContact CG2-CB 4.16Å; V144-I174 HydrophobicContact CG1-CB 4.18Å; V144-I174 HydrophobicContact CG1-CG2 3.58Å; V144-A375 WeakPolarHBondContact CB-O 3.26Å; V144-A375 HydrophobicContact CG1-CB 4.21Å; V144-E378 HydrophobicContact CG1-CB 4.22Å; V144-E378 HydrophobicContact CG1-CG 4.06Å; V144-E378 HydrophobicContact CG2-CB 4.43Å; V144-E378 HydrophobicContact CG2-CG 4.11Å; V144-A379 HydrophobicContact CB-CB 3.98Å; V144-A379 HydrophobicContact CG2-CB 3.6Å; V144-L382 HydrophobicContact CG2-CD1 3.78Å
145I98.1Very high90Very high0 Ų041.5 Ų41.50%026%0.256CS..EExtended strand (participates in β ladder)trans-112.8139.3-178-56.5171.5000109.4F125 T143 L159 A163 V170 R172 M173 I174F125-I145 HydrophobicContact CE1-CD1 3.98Å; F125-I145 HydrophobicContact CE1-CG1 4.41Å; F125-I145 HydrophobicContact CE1-CG2 4.28Å; F125-I145 HydrophobicContact CZ-CD1 4.14Å; F125-I145 HydrophobicContact CZ-CG2 4.18Å; T143-I145 HydrophobicContact CG2-CD1 4.26Å; T143-I145 HydrophobicContact CG2-CG1 4.05Å; I145-L159 HydrophobicContact CG2-CD2 3.95Å; I145-L159 HydrophobicContact CG2-CG 4.44Å; I145-A163 HydrophobicContact CD1-CB 3.23Å; I145-V170 HydrophobicContact CD1-CB 4.43Å; I145-V170 HydrophobicContact CD1-CG1 3.9Å; I145-V170 HydrophobicContact CD1-CG2 3.61Å; I145-V170 HydrophobicContact CG1-CG1 4.27Å; I145-R172 PolarHBondContact N-O 3.46Å; I145-R172 VanDerWaalsContact N-O 3.12Å; I145-M173 CarbonylContact O-C 3.55Å; I145-M173 VanDerWaalsContact O-CA 3.24Å; I145-M173 WeakPolarHBondContact O-CA 3.07Å; I145-I174 PolarHBondContact O-N 3.22Å
146T97.5Very high89.9Confident0 Ų040.9 Ų40.90%024%0.243CC..EExtended strand (participates in β ladder)trans-90.3142.3176.6590000113.5I10 H11 I174 A179 I371 A375I10-T146 PolarHBondContact O-N 2.56Å; I10-T146 PolarHBondContact O-OG1 2.79Å; H11-T146 VanDerWaalsContact CA-OG1 3.32Å; H11-T146 WeakPolarHBondContact CA-OG1 3.26Å; H11-T146 PolarHBondContact ND1-OG1 2.98Å; T146-I174 CarbonylContact C-O 3.44Å; T146-I174 VanDerWaalsContact CA-O 3.24Å; T146-I174 WeakPolarHBondContact CA-O 3.44Å; T146-I174 HydrophobicContact CG2-CG2 3.74Å; T146-A179 HydrophobicContact CG2-CB 3.84Å; T146-I371 HydrophobicContact CG2-CG2 3.46Å; T146-I371 VanDerWaalsContact CG2-CG2 3.46Å; T146-A375 HydrophobicContact CG2-CB 3.65Å
147V92.4Very high89.9Confident2 Ų247.5 Ų47.51%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-128142.6177.3-68.10000111.6K156 L159 M173 I174 H175 E176V147-K156 HydrophobicContact CG1-CG 4.4Å; V147-L159 HydrophobicContact CG1-CD2 3.63Å; V147-M173 HydrophobicContact CG1-CB 4.4Å; V147-M173 HydrophobicContact CG1-CG 4.43Å; V147-M173 HydrophobicContact CG1-SD 3.98Å; V147-M173 HydrophobicContact CG2-CB 4.42Å; V147-I174 PolarHBondContact N-O 3.05Å; V147-H175 WeakPolarHBondContact O-CA 3.45Å; V147-E176 WeakPolarHBondContact O-CG 3.4Å; V147-E176 PolarHBondContact O-N 3.34Å
148P88.6Confident90.1Very high1 Ų144.7 Ų44.71%0.00624%0.235CC..  trans-56.6155.5168.4-23.134.1000111E150 F151 H175P148-E150 VanDerWaalsContact C-N 3.33Å; P148-E150 VanDerWaalsContact CB-CD 3.44Å; P148-E150 HydrophobicContact CB-CG 4.42Å; P148-E150 WeakPolarHBondContact CB-OE1 3.3Å; P148-E150 WeakPolarHBondContact CB-OE2 3.42Å; P148-F151 HydrophobicContact CB-CD1 3.71Å; P148-F151 HydrophobicContact CB-CE1 4.16Å; P148-F151 HydrophobicContact CB-CG 4.28Å; P148-F151 HydrophobicContact CG-CD1 3.6Å; P148-F151 HydrophobicContact CG-CE1 3.6Å; P148-F151 HydrophobicContact CG-CG 4.15Å; P148-F151 HydrophobicContact CG-CZ 4.12Å; P148-H175 PolarHBondContact O-ND1 2.79Å
149F83.8Confident90.5Very high80 Ų8042.5 Ų42.535%0.35122%0.22SC..THydrogen-bonded Turntrans-68.5-38.3-178.1-172-95.2000111.4F151 V221 T224F149-F151 VanDerWaalsContact C-N 3.25Å; F149-F151 PolarHBondContact O-N 2.83Å; F149-V221 HydrophobicContact CD2-CG2 4.1Å; F149-V221 HydrophobicContact CE1-CG1 4.5Å; F149-V221 HydrophobicContact CE2-CB 3.88Å; F149-V221 HydrophobicContact CE2-CG1 3.96Å; F149-V221 HydrophobicContact CE2-CG2 3.67Å; F149-V221 HydrophobicContact CZ-CB 4.14Å; F149-V221 HydrophobicContact CZ-CG1 3.94Å; F149-V221 HydrophobicContact CZ-CG2 4.42Å; F149-T224 HydrophobicContact CD1-CG2 3.47Å; F149-T224 VanDerWaalsContact CD1-CG2 3.47Å; F149-T224 HydrophobicContact CE1-CG2 3.87Å; F149-T224 HydrophobicContact CG-CG2 4.21Å
150E82Confident90.9Very high69 Ų6939.4 Ų39.432%0.32220%0.198SC..THydrogen-bonded Turntrans-75-5.2-177.871.4-82.7-16500114.7P148 A152 H228P148-E150 VanDerWaalsContact C-N 3.33Å; P148-E150 VanDerWaalsContact CB-CD 3.44Å; P148-E150 HydrophobicContact CB-CG 4.42Å; P148-E150 WeakPolarHBondContact CB-OE1 3.3Å; P148-E150 WeakPolarHBondContact CB-OE2 3.42Å; E150-A152 PolarHBondContact O-N 2.87Å; E150-H228 IonicContact OE1-CE1 3.07Å
151F83.4Confident91.3Very high7 Ų742.8 Ų42.83%0.03121%0.212CC..  trans-64.7126-178.9-98.633.6000111.9Y14 K72 P148 F149 Q155 K156Y14-F151 WeakPolarHBondContact OH-CE1 3.41Å; K72-F151 HydrophobicContact CD-CZ 4.36Å; K72-F151 HydrophobicContact CG-CE2 4.42Å; K72-F151 HydrophobicContact CG-CZ 3.92Å; P148-F151 HydrophobicContact CB-CD1 3.71Å; P148-F151 HydrophobicContact CB-CE1 4.16Å; P148-F151 HydrophobicContact CB-CG 4.28Å; P148-F151 HydrophobicContact CG-CD1 3.6Å; P148-F151 HydrophobicContact CG-CE1 3.6Å; P148-F151 HydrophobicContact CG-CG 4.15Å; P148-F151 HydrophobicContact CG-CZ 4.12Å; F149-F151 VanDerWaalsContact C-N 3.25Å; F149-F151 PolarHBondContact O-N 2.83Å; F151-Q155 HydrophobicContact CB-CB 4.49Å; F151-Q155 HydrophobicContact CD2-CB 3.65Å; F151-Q155 HydrophobicContact CE2-CB 3.92Å; F151-Q155 HydrophobicContact CG-CB 4.07Å; F151-K156 HydrophobicContact CB-CG 4.04Å; F151-K156 WeakPolarHBondContact O-CE 3.46Å
152A81.5Confident91.5Very high53 Ų5340.8 Ų40.844%0.43820%0.2SC..  trans-72.3163.5173.300000111.8E150 A154 Q155 K156E150-A152 PolarHBondContact O-N 2.87Å; A152-A154 VanDerWaalsContact C-N 3.28Å; A152-A154 PolarHBondContact O-N 2.81Å; A152-Q155 PolarHBondContact O-N 2.78Å; A152-Q155 VanDerWaalsContact O-N 3.12Å; A152-K156 PolarHBondContact O-N 2.85Å
153H82.2Confident91.6Very high147 Ų14738.5 Ų38.568%0.68119%0.188SC*.Hα-helixtrans-55.4-40.2-179.9-73.5-68.9000113.5Q155 K156 R157H153-Q155 PolarHBondContact O-N 3.5Å; H153-K156 PolarHBondContact O-N 2.75Å; H153-R157 WeakPolarHBondContact O-CB 3.24Å; H153-R157 PolarHBondContact O-N 3.3Å
154A81.8Confident91.7Very high52 Ų5242.3 Ų42.343%0.4321%0.206SC..Hα-helixtrans-60.8-44.8177.900000111.9A152 R157 S158A152-A154 VanDerWaalsContact C-N 3.28Å; A152-A154 PolarHBondContact O-N 2.81Å; A154-R157 PolarHBondContact O-N 2.8Å; A154-S158 PolarHBondContact O-N 2.74Å; A154-S158 PolarHBondContact O-OG 2.82Å
155Q91.1Very high91.7Very high10 Ų1045.5 Ų45.55%0.04723%0.232CC..Hα-helixtrans-67.6-40.6179.4-55174.8-82.300111.8L75 F151 A152 H153 R157 L159L75-Q155 WeakPolarHBondContact O-CG 3.45Å; F151-Q155 HydrophobicContact CB-CB 4.49Å; F151-Q155 HydrophobicContact CD2-CB 3.65Å; F151-Q155 HydrophobicContact CE2-CB 3.92Å; F151-Q155 HydrophobicContact CG-CB 4.07Å; A152-Q155 PolarHBondContact O-N 2.78Å; A152-Q155 VanDerWaalsContact O-N 3.12Å; H153-Q155 PolarHBondContact O-N 3.5Å; Q155-R157 VanDerWaalsContact C-N 3.33Å; Q155-L159 WeakPolarHBondContact O-CB 3.49Å; Q155-L159 PolarHBondContact O-N 2.89Å
156K90.1Very high91.7Very high44 Ų4446.2 Ų46.219%0.19124%0.238CC..Hα-helixtrans-60.8-43.5174.1-68.6-179.7-179.6169.20111V147 F151 A152 H153 L159 R160 M173V147-K156 HydrophobicContact CG1-CG 4.4Å; F151-K156 HydrophobicContact CB-CG 4.04Å; F151-K156 WeakPolarHBondContact O-CE 3.46Å; A152-K156 PolarHBondContact O-N 2.85Å; H153-K156 PolarHBondContact O-N 2.75Å; K156-L159 PolarHBondContact O-N 3.1Å; K156-R160 WeakPolarHBondContact O-CB 3.42Å; K156-R160 PolarHBondContact O-N 3.4Å; K156-M173 HydrophobicContact CB-CE 3.94Å; K156-M173 HydrophobicContact CB-SD 4.14Å
157R92.5Very high91.7Very high159 Ų15947.7 Ų47.760%0.625%0.253SS*.Hα-helixtrans-62.1-54.4176.4-174.4-172.9-61.4157.7-0.3111.5H153 A154 Q155 L159 R160 E161H153-R157 WeakPolarHBondContact O-CB 3.24Å; H153-R157 PolarHBondContact O-N 3.3Å; A154-R157 PolarHBondContact O-N 2.8Å; Q155-R157 VanDerWaalsContact C-N 3.33Å; R157-L159 PolarHBondContact O-N 3.34Å; R157-R160 WeakPolarHBondContact O-CB 3.08Å; R157-R160 PolarHBondContact O-N 2.74Å; R157-E161 VanDerWaalsContact CD-OE1 3.3Å; R157-E161 WeakPolarHBondContact CD-OE1 3.46Å; R157-E161 HydrophobicContact CG-CG 4.25Å; R157-E161 WeakPolarHBondContact CG-OE1 3.43Å; R157-E161 WeakPolarHBondContact O-CG 3.41Å; R157-E161 PolarHBondContact O-N 3.03Å
158S95.8Very high92Very high14 Ų1448 Ų4810%0.09825%0.254CS..Hα-helixtrans-57.6-37.1178.9-65.60000112.5G76 E118 A154 A162G76-S158 VanDerWaalsContact CA-OG 3.28Å; G76-S158 WeakPolarHBondContact CA-OG 3.42Å; E118-S158 PolarHBondContact OE1-OG 2.91Å; A154-S158 PolarHBondContact O-N 2.74Å; A154-S158 PolarHBondContact O-OG 2.82Å; S158-A162 VanDerWaalsContact O-CB 3.3Å; S158-A162 WeakPolarHBondContact O-CB 3.38Å; S158-A162 PolarHBondContact O-N 3.33Å
159L97.1Very high92.3Very high0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-66.8-43.3176.1-17073000112.2F12 L75 F125 I145 V147 Q155 K156 R157 A163F12-L159 HydrophobicContact CD1-CD1 3.72Å; F12-L159 HydrophobicContact CE1-CD1 4.21Å; L75-L159 HydrophobicContact CD2-CB 3.93Å; L75-L159 HydrophobicContact CD2-CD1 3.63Å; L75-L159 HydrophobicContact CD2-CG 4.41Å; F125-L159 HydrophobicContact CE2-CD1 3.77Å; F125-L159 HydrophobicContact CE2-CG 4.29Å; F125-L159 HydrophobicContact CZ-CD1 3.77Å; F125-L159 HydrophobicContact CZ-CG 4.05Å; I145-L159 HydrophobicContact CG2-CD2 3.95Å; I145-L159 HydrophobicContact CG2-CG 4.44Å; V147-L159 HydrophobicContact CG1-CD2 3.63Å; Q155-L159 WeakPolarHBondContact O-CB 3.49Å; Q155-L159 PolarHBondContact O-N 2.89Å; K156-L159 PolarHBondContact O-N 3.1Å; R157-L159 PolarHBondContact O-N 3.34Å; L159-A163 PolarHBondContact O-N 3.28Å
160R97.1Very high92.8Very high73 Ų7349.1 Ų49.128%0.27526%0.26SS..Hα-helixtrans-62.9-49.8175.8179.8177.2-178.899.613.6111.1K156 R157 A162 A163 E164 V170 M173K156-R160 WeakPolarHBondContact O-CB 3.42Å; K156-R160 PolarHBondContact O-N 3.4Å; R157-R160 WeakPolarHBondContact O-CB 3.08Å; R157-R160 PolarHBondContact O-N 2.74Å; R160-A162 VanDerWaalsContact C-N 3.3Å; R160-A162 PolarHBondContact O-N 3.31Å; R160-A163 WeakPolarHBondContact O-CB 3.5Å; R160-A163 PolarHBondContact O-N 2.85Å; R160-A163 VanDerWaalsContact O-N 3.07Å; R160-E164 HydrophobicContact CG-CG 4.3Å; R160-E164 IonicContact CZ-OE1 3.55Å; R160-E164 IonicContact NE-OE1 2.83Å; R160-E164 PolarHBondContact NE-OE1 2.91Å; R160-E164 IonicContact NH2-OE1 2.8Å; R160-E164 PolarHBondContact NH2-OE1 3.49Å; R160-E164 WeakPolarHBondContact O-CG 3.09Å; R160-E164 PolarHBondContact O-N 2.81Å; R160-V170 HydrophobicContact CG-CB 4.3Å; R160-V170 HydrophobicContact CG-CG1 4.32Å; R160-V170 HydrophobicContact CG-CG2 4.39Å; R160-V170 VanDerWaalsContact CZ-O 3.23Å; R160-V170 PolarHBondContact NH1-O 2.99Å; R160-V170 PolarHBondContact NH2-O 3.24Å; R160-M173 HydrophobicContact CB-CE 4.4Å; R160-M173 HydrophobicContact CB-SD 4.19Å
161E97.6Very high93.3Very high94 Ų9447.6 Ų47.644%0.43925%0.254SS..Hα-helixtrans-59.1-41.2178.9-72.3172.3178.900111.5R157 A163 E164 A165R157-E161 VanDerWaalsContact CD-OE1 3.3Å; R157-E161 WeakPolarHBondContact CD-OE1 3.46Å; R157-E161 HydrophobicContact CG-CG 4.25Å; R157-E161 WeakPolarHBondContact CG-OE1 3.43Å; R157-E161 WeakPolarHBondContact O-CG 3.41Å; R157-E161 PolarHBondContact O-N 3.03Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 3.3Å; E161-E164 PolarHBondContact O-N 2.89Å; E161-A165 WeakPolarHBondContact O-CB 3.35Å; E161-A165 PolarHBondContact O-N 3.03Å
162A98.4Very high93.7Very high3 Ų351.7 Ų51.73%0.02527%0.27CS..Hα-helixtrans-63.5-36.317600000112.8A121 F125 S158 R160 A166A121-A162 HydrophobicContact CB-CB 3.76Å; F125-A162 HydrophobicContact CD2-CB 4.07Å; F125-A162 HydrophobicContact CE2-CB 4.14Å; S158-A162 VanDerWaalsContact O-CB 3.3Å; S158-A162 WeakPolarHBondContact O-CB 3.38Å; S158-A162 PolarHBondContact O-N 3.33Å; R160-A162 VanDerWaalsContact C-N 3.3Å; R160-A162 PolarHBondContact O-N 3.31Å; A162-A166 PolarHBondContact O-N 2.86Å
163A98.4Very high94.2Very high0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-73.6-43.4176.300000112.4F125 I145 L159 R160 E161 A165 A166 G167 F168 V170F125-A163 HydrophobicContact CD1-CB 3.88Å; F125-A163 HydrophobicContact CD2-CB 3.92Å; F125-A163 HydrophobicContact CE1-CB 3.82Å; F125-A163 HydrophobicContact CE2-CB 3.85Å; F125-A163 HydrophobicContact CG-CB 3.94Å; F125-A163 HydrophobicContact CZ-CB 3.8Å; I145-A163 HydrophobicContact CD1-CB 3.23Å; L159-A163 PolarHBondContact O-N 3.28Å; R160-A163 WeakPolarHBondContact O-CB 3.5Å; R160-A163 PolarHBondContact O-N 2.85Å; R160-A163 VanDerWaalsContact O-N 3.07Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 3.3Å; A163-A165 VanDerWaalsContact C-N 3.32Å; A163-A165 PolarHBondContact O-N 2.92Å; A163-A166 WeakPolarHBondContact O-CA 3.26Å; A163-A166 WeakPolarHBondContact O-CB 3.28Å; A163-A166 PolarHBondContact O-N 3.31Å; A163-G167 PolarHBondContact O-N 3.09Å; A163-F168 HydrophobicContact CB-CD2 4.33Å; A163-F168 PolarHBondContact O-N 3.15Å; A163-V170 HydrophobicContact CB-CG2 3.96Å
164E98.1Very high94.6Very high81 Ų8145.9 Ų45.938%0.37924%0.235SC..Hα-helixtrans-62.2-40.9175.2-71.1175.3166.600110.8R160 E161 A166 G167 V170R160-E164 HydrophobicContact CG-CG 4.3Å; R160-E164 IonicContact CZ-OE1 3.55Å; R160-E164 IonicContact NE-OE1 2.83Å; R160-E164 PolarHBondContact NE-OE1 2.91Å; R160-E164 IonicContact NH2-OE1 2.8Å; R160-E164 PolarHBondContact NH2-OE1 3.49Å; R160-E164 WeakPolarHBondContact O-CG 3.09Å; R160-E164 PolarHBondContact O-N 2.81Å; E161-E164 PolarHBondContact O-N 2.89Å; E164-A166 PolarHBondContact O-N 3.3Å; E164-G167 WeakPolarHBondContact O-CA 3.23Å; E164-G167 PolarHBondContact O-N 2.99Å; E164-V170 HydrophobicContact CG-CB 4.43Å; E164-V170 HydrophobicContact CG-CG2 3.82Å
165A98.3Very high95.2Very high67 Ų6746 Ų4655%0.55423%0.226SC*.Hα-helixtrans-67-20.417400000113.7K122 E161 A163 G167K122-A165 HydrophobicContact CD-CB 3.75Å; K122-A165 HydrophobicContact CG-CB 4.27Å; E161-A165 WeakPolarHBondContact O-CB 3.35Å; E161-A165 PolarHBondContact O-N 3.03Å; A163-A165 VanDerWaalsContact C-N 3.32Å; A163-A165 PolarHBondContact O-N 2.92Å; A165-G167 VanDerWaalsContact C-N 3.25Å
166A98.1Very high95.3Very high14 Ų1445.9 Ų45.912%0.11623%0.226CC..THydrogen-bonded Turntrans-82.7-3.516900000112.7K122 F125 K126 K129 A162 A163 E164 F168K122-A166 HydrophobicContact CG-CB 4.27Å; F125-A166 HydrophobicContact CB-CB 3.51Å; K126-A166 HydrophobicContact CB-CB 4.41Å; K129-A166 VanDerWaalsContact CD-O 3.3Å; K129-A166 WeakPolarHBondContact CD-O 3.33Å; A162-A166 PolarHBondContact O-N 2.86Å; A163-A166 WeakPolarHBondContact O-CA 3.26Å; A163-A166 WeakPolarHBondContact O-CB 3.28Å; A163-A166 PolarHBondContact O-N 3.31Å; E164-A166 PolarHBondContact O-N 3.3Å; A166-F168 HydrophobicContact CB-CD2 4.34Å
167G97.5Very high95.5Very high31 Ų3144.3 Ų44.332%0.3222%0.22SC..THydrogen-bonded Turntrans88.928176.600000114.2K129 T141 A163 E164 A165K129-G167 PolarHBondContact NZ-O 3.32Å; T141-G167 VanDerWaalsContact CG2-O 3.25Å; T141-G167 WeakPolarHBondContact CG2-O 3.42Å; A163-G167 PolarHBondContact O-N 3.09Å; E164-G167 WeakPolarHBondContact O-CA 3.23Å; E164-G167 PolarHBondContact O-N 2.99Å; A165-G167 VanDerWaalsContact C-N 3.25Å
168F97.8Very high95.5Very high9 Ų937.5 Ų37.54%0.03920%0.198CC..  trans-89148.1167-73.2-71000111.6I8 I10 F125 M128 K129 T143 A163 A166 V170I8-F168 HydrophobicContact CD1-CE1 3.95Å; I8-F168 HydrophobicContact CG2-CE1 4.33Å; I10-F168 HydrophobicContact CD1-CD1 4.34Å; I10-F168 HydrophobicContact CD1-CD2 4.21Å; I10-F168 HydrophobicContact CD1-CE1 3.75Å; I10-F168 HydrophobicContact CD1-CE2 3.57Å; I10-F168 HydrophobicContact CD1-CZ 3.31Å; F125-F168 HydrophobicContact CB-CD2 4.39Å; F125-F168 HydrophobicContact CB-CE2 4.06Å; F125-F168 HydrophobicContact CD1-CD2 4.37Å; F125-F168 HydrophobicContact CD1-CE2 4.1Å; F125-F168 WeakPolarHBondContact O-CE2 3.48Å; M128-F168 HydrophobicContact CB-CZ 4.48Å; K129-F168 VanDerWaalsContact CA-CZ 3.45Å; K129-F168 HydrophobicContact CB-CE1 4Å; K129-F168 HydrophobicContact CB-CE2 3.8Å; K129-F168 HydrophobicContact CB-CZ 3.4Å; K129-F168 HydrophobicContact CG-CE1 4.1Å; K129-F168 HydrophobicContact CG-CZ 4.01Å; T143-F168 HydrophobicContact CG2-CB 3.61Å; T143-F168 HydrophobicContact CG2-CD1 3.87Å; T143-F168 HydrophobicContact CG2-CG 3.87Å; A163-F168 HydrophobicContact CB-CD2 4.33Å; A163-F168 PolarHBondContact O-N 3.15Å; A166-F168 HydrophobicContact CB-CD2 4.34Å; F168-V170 HydrophobicContact CB-CG2 4.37Å
169H95.8Very high95.5Very high102 Ų10236.9 Ų36.947%0.47219%0.193SC..EExtended strand (participates in β ladder)trans-95.4100.4164.4-176.276.2000108.6T141 D142 T143 L171T141-H169 PolarHBondContact O-N 2.9Å; D142-H169 WeakPolarHBondContact CA-O 3.41Å; D142-H169 IonicContact OD1-CD2 2.64Å; D142-H169 PolarHBondContact OD1-CD2 3.29Å; D142-H169 IonicContact OD1-CG 3.33Å; T143-H169 PolarHBondContact N-O 3.03Å; H169-L171 PolarHBondContact O-N 3.01Å; H169-L171 VanDerWaalsContact O-N 3.12Å
170V95.1Very high95.4Very high2 Ų236.9 Ų36.91%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-80.597.7-173.3-1750000110.3T143 I145 R160 A163 E164 F168T143-V170 HydrophobicContact CG2-CB 4.41Å; T143-V170 HydrophobicContact CG2-CG2 3.96Å; T143-V170 CarbonylContact O-C 3.57Å; T143-V170 WeakPolarHBondContact O-CA 3.37Å; I145-V170 HydrophobicContact CD1-CB 4.43Å; I145-V170 HydrophobicContact CD1-CG1 3.9Å; I145-V170 HydrophobicContact CD1-CG2 3.61Å; I145-V170 HydrophobicContact CG1-CG1 4.27Å; R160-V170 HydrophobicContact CG-CB 4.3Å; R160-V170 HydrophobicContact CG-CG1 4.32Å; R160-V170 HydrophobicContact CG-CG2 4.39Å; R160-V170 VanDerWaalsContact CZ-O 3.23Å; R160-V170 PolarHBondContact NH1-O 2.99Å; R160-V170 PolarHBondContact NH2-O 3.24Å; A163-V170 HydrophobicContact CB-CG2 3.96Å; E164-V170 HydrophobicContact CG-CB 4.43Å; E164-V170 HydrophobicContact CG-CG2 3.82Å; F168-V170 HydrophobicContact CB-CG2 4.37Å
171L91.3Very high95.2Very high37 Ų3733.4 Ų33.419%0.19418%0.18CC..EExtended strand (participates in β ladder)trans-62.8-46.6178.5-61.5174.8000111.6D142 T143 V144 H169 L382 V383D142-L171 HydrophobicContact CB-CD1 3.97Å; D142-L171 HydrophobicContact CB-CD2 4.49Å; D142-L171 HydrophobicContact CB-CG 4.25Å; T143-L171 PolarHBondContact O-N 3.33Å; V144-L171 HydrophobicContact CG2-CB 4.32Å; H169-L171 PolarHBondContact O-N 3.01Å; H169-L171 VanDerWaalsContact O-N 3.12Å; L171-L382 HydrophobicContact CB-CD1 3.86Å; L171-L382 HydrophobicContact CD1-CB 3.98Å; L171-L382 HydrophobicContact CD1-CD1 4.38Å; L171-V383 HydrophobicContact CD1-CG2 3.75Å
172R91.6Very high94.8Very high93 Ų9329.5 Ų29.535%0.35116%0.163SC..EExtended strand (participates in β ladder)trans-157.1152.8-175.5-175.1172.9-74.4-173.5-8.7111.7V144 I145 E378 L382V144-R172 WeakPolarHBondContact CA-O 3.45Å; V144-R172 HydrophobicContact CG2-CB 4.16Å; I145-R172 PolarHBondContact N-O 3.46Å; I145-R172 VanDerWaalsContact N-O 3.12Å; R172-E378 WeakPolarHBondContact CD-OE1 3.49Å; R172-E378 IonicContact CZ-OE1 2.99Å; R172-E378 IonicContact NE-OE1 3.11Å; R172-E378 IonicContact NH1-OE1 2.75Å; R172-E378 PolarHBondContact NH1-OE1 3.29Å; R172-L382 HydrophobicContact CB-CD1 3.7Å
173M91.9Very high94.5Very high59 Ų5930.1 Ų30.129%0.29117%0.167SC..EExtended strand (participates in β ladder)trans-103.8129.4161.9-70.2-177.3-71.500109.5I145 V147 K156 R160I145-M173 CarbonylContact O-C 3.55Å; I145-M173 VanDerWaalsContact O-CA 3.24Å; I145-M173 WeakPolarHBondContact O-CA 3.07Å; V147-M173 HydrophobicContact CG1-CB 4.4Å; V147-M173 HydrophobicContact CG1-CG 4.43Å; V147-M173 HydrophobicContact CG1-SD 3.98Å; V147-M173 HydrophobicContact CG2-CB 4.42Å; K156-M173 HydrophobicContact CB-CE 3.94Å; K156-M173 HydrophobicContact CB-SD 4.14Å; R160-M173 HydrophobicContact CB-CE 4.4Å; R160-M173 HydrophobicContact CB-SD 4.19Å
174I92.4Very high94.1Very high19 Ų1931.6 Ų31.610%0.09717%0.173CC..EExtended strand (participates in β ladder)trans-116.1146178.9-171.5170.5000110.5V144 I145 T146 V147 A178 A179 L182 A375 E378V144-I174 HydrophobicContact CG1-CB 4.18Å; V144-I174 HydrophobicContact CG1-CG2 3.58Å; I145-I174 PolarHBondContact O-N 3.22Å; T146-I174 CarbonylContact C-O 3.44Å; T146-I174 VanDerWaalsContact CA-O 3.24Å; T146-I174 WeakPolarHBondContact CA-O 3.44Å; T146-I174 HydrophobicContact CG2-CG2 3.74Å; V147-I174 PolarHBondContact N-O 3.05Å; I174-A178 HydrophobicContact CD1-CB 4.19Å; I174-A178 HydrophobicContact CG1-CB 4.08Å; I174-A179 HydrophobicContact CD1-CB 4.33Å; I174-A179 HydrophobicContact CG2-CB 4.05Å; I174-L182 HydrophobicContact CD1-CD1 3.47Å; I174-L182 VanDerWaalsContact CD1-CD1 3.47Å; I174-A375 HydrophobicContact CG2-CB 4.49Å; I174-E378 HydrophobicContact CD1-CB 4.35Å; I174-E378 HydrophobicContact CD1-CG 4.2Å
175H92.4Very high93.5Very high55 Ų5531.8 Ų31.826%0.25518%0.177SC..EExtended strand (participates in β ladder)trans-69135173.3-73.7-61.6000111.4V147 P148 P177 A178 A179V147-H175 WeakPolarHBondContact O-CA 3.45Å; P148-H175 PolarHBondContact O-ND1 2.79Å; H175-P177 HydrophobicContact CB-CG 4.36Å; H175-A178 WeakPolarHBondContact O-CB 3.3Å; H175-A178 PolarHBondContact O-N 3.44Å; H175-A179 PolarHBondContact O-N 3.46Å
176E95.1Very high92.7Very high8 Ų828.9 Ų28.94%0.03715%0.152CC..Hα-helixtrans-47.9-46.3178.3-69.6170.4173.300114.8H11 K72 V147 A178 A179 A180 K201 I371H11-E176 IonicContact CE1-OE1 3.55Å; H11-E176 PolarHBondContact CE1-OE1 3.48Å; H11-E176 VanDerWaalsContact CE1-OE1 3.26Å; H11-E176 IonicContact ND1-OE1 3.83Å; K72-E176 IonicContact NZ-OE1 3.6Å; V147-E176 WeakPolarHBondContact O-CG 3.4Å; V147-E176 PolarHBondContact O-N 3.34Å; E176-A178 VanDerWaalsContact C-N 3.35Å; E176-A178 PolarHBondContact O-N 3.32Å; E176-A179 PolarHBondContact O-N 3.04Å; E176-A180 PolarHBondContact O-N 3.22Å; E176-K201 IonicContact OE1-NZ 2.85Å; E176-K201 PolarHBondContact OE1-NZ 3.47Å; E176-K201 IonicContact OE2-NZ 2.97Å; E176-K201 PolarHBondContact OE2-NZ 3.33Å; E176-I371 HydrophobicContact CB-CD1 4.27Å; E176-I371 HydrophobicContact CB-CG2 4.26Å; E176-I371 HydrophobicContact CG-CG2 4.1Å
177P94.2Very high91.1Very high10 Ų1028.7 Ų28.77%0.06515%0.152CC..Hα-helixtrans-64.9-35.2176.922.8-34000113.6H175 A180 L181 V199 T210 L212H175-P177 HydrophobicContact CB-CG 4.36Å; P177-A180 WeakPolarHBondContact O-CB 3.08Å; P177-A180 PolarHBondContact O-N 3.08Å; P177-L181 WeakPolarHBondContact O-CD1 3.41Å; P177-L181 PolarHBondContact O-N 3.11Å; P177-V199 HydrophobicContact CB-CB 4.25Å; P177-V199 HydrophobicContact CB-CG1 4.29Å; P177-V199 HydrophobicContact CB-CG2 4.2Å; P177-T210 HydrophobicContact CB-CG2 4.04Å; P177-T210 HydrophobicContact CG-CG2 4.17Å; P177-L212 HydrophobicContact CB-CD1 4.03Å; P177-L212 HydrophobicContact CB-CD2 4.37Å
178A92.5Very high89.5Confident17 Ų1731 Ų3114%0.1415%0.154CC..Hα-helixtrans-69.2-42.8176.600000111.2I174 H175 E176 A180 L181 L182 L219I174-A178 HydrophobicContact CD1-CB 4.19Å; I174-A178 HydrophobicContact CG1-CB 4.08Å; H175-A178 WeakPolarHBondContact O-CB 3.3Å; H175-A178 PolarHBondContact O-N 3.44Å; E176-A178 VanDerWaalsContact C-N 3.35Å; E176-A178 PolarHBondContact O-N 3.32Å; A178-A180 VanDerWaalsContact C-N 3.26Å; A178-A180 PolarHBondContact O-N 3.36Å; A178-L181 PolarHBondContact O-N 3.03Å; A178-L181 VanDerWaalsContact O-N 3.16Å; A178-L182 PolarHBondContact O-N 3.3Å; A178-L182 VanDerWaalsContact O-N 3.08Å; A178-L219 HydrophobicContact CB-CD1 3.98Å
179A94.1Very high87.5Confident0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-58.3-40.6172.300000111.4T146 I174 H175 E176 L181 L182 A183 I371 G374T146-A179 HydrophobicContact CG2-CB 3.84Å; I174-A179 HydrophobicContact CD1-CB 4.33Å; I174-A179 HydrophobicContact CG2-CB 4.05Å; H175-A179 PolarHBondContact O-N 3.46Å; E176-A179 PolarHBondContact O-N 3.04Å; A179-L181 VanDerWaalsContact C-N 3.28Å; A179-L181 PolarHBondContact O-N 3.27Å; A179-L182 PolarHBondContact O-N 3.44Å; A179-L182 VanDerWaalsContact O-N 3.16Å; A179-A183 PolarHBondContact O-N 2.86Å; A179-I371 HydrophobicContact CB-CG2 4.21Å; A179-G374 VanDerWaalsContact O-CA 3.24Å; A179-G374 WeakPolarHBondContact O-CA 3.49Å
180A95.3Very high85.2Confident0 Ų038.7 Ų38.70%019%0.188CC..Hα-helixtrans-60.1-36.5177.500000113.2E176 P177 A178 Y184 V199 V337 V370E176-A180 PolarHBondContact O-N 3.22Å; P177-A180 WeakPolarHBondContact O-CB 3.08Å; P177-A180 PolarHBondContact O-N 3.08Å; A178-A180 VanDerWaalsContact C-N 3.26Å; A178-A180 PolarHBondContact O-N 3.36Å; A180-Y184 WeakPolarHBondContact O-CD2 3.32Å; A180-V199 HydrophobicContact CB-CG1 4.05Å; A180-V337 HydrophobicContact CB-CG1 4Å; A180-V370 HydrophobicContact CB-CG1 3.83Å
181L92.4Very high83.1Confident0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-68.9-43.8173.6-92.563.1000112P177 A178 A179 A183 Y184 N185 V186 V197 V199 L212 V214 L219 V337P177-L181 WeakPolarHBondContact O-CD1 3.41Å; P177-L181 PolarHBondContact O-N 3.11Å; A178-L181 PolarHBondContact O-N 3.03Å; A178-L181 VanDerWaalsContact O-N 3.16Å; A179-L181 VanDerWaalsContact C-N 3.28Å; A179-L181 PolarHBondContact O-N 3.27Å; L181-A183 PolarHBondContact O-N 2.62Å; L181-Y184 PolarHBondContact O-N 2.93Å; L181-Y184 VanDerWaalsContact O-N 3.09Å; L181-N185 PolarHBondContact O-N 2.92Å; L181-V186 HydrophobicContact CB-CB 4.12Å; L181-V186 HydrophobicContact CB-CG1 4.49Å; L181-V186 HydrophobicContact CD2-CG1 4.08Å; L181-V186 HydrophobicContact CG-CB 3.99Å; L181-V186 HydrophobicContact CG-CG1 3.89Å; L181-V186 PolarHBondContact O-N 3.01Å; L181-V197 HydrophobicContact CD1-CB 4.44Å; L181-V197 HydrophobicContact CD1-CG1 3.8Å; L181-V197 HydrophobicContact CD2-CB 4.14Å; L181-V197 HydrophobicContact CD2-CG1 4.25Å; L181-V197 HydrophobicContact CD2-CG2 4.34Å; L181-V197 HydrophobicContact CG-CB 4.49Å; L181-V197 HydrophobicContact CG-CG1 4.05Å; L181-V199 HydrophobicContact CD1-CG2 3.22Å; L181-L212 HydrophobicContact CD1-CD1 4.06Å; L181-L212 HydrophobicContact CD2-CB 4.23Å; L181-L212 HydrophobicContact CD2-CD2 4.35Å; L181-V214 HydrophobicContact CD2-CG2 3.7Å; L181-L219 HydrophobicContact CB-CD1 4.33Å; L181-L219 HydrophobicContact CD2-CD1 4.38Å; L181-L219 HydrophobicContact CD2-CD2 3.63Å; L181-V337 HydrophobicContact CD1-CG2 4.21Å
182L90.8Very high81Confident13 Ų1347.6 Ų47.67%0.06825%0.254CS..Hα-helixtrans-57.7-38.3179-70.4179000112I174 A178 A179 Y184 N185 E378I174-L182 HydrophobicContact CD1-CD1 3.47Å; I174-L182 VanDerWaalsContact CD1-CD1 3.47Å; A178-L182 PolarHBondContact O-N 3.3Å; A178-L182 VanDerWaalsContact O-N 3.08Å; A179-L182 PolarHBondContact O-N 3.44Å; A179-L182 VanDerWaalsContact O-N 3.16Å; L182-Y184 PolarHBondContact O-N 2.83Å; L182-Y184 VanDerWaalsContact O-N 3.1Å; L182-N185 PolarHBondContact O-N 3.39Å; L182-E378 HydrophobicContact CD1-CB 3.92Å
183A92.4Very high79.6Confident15 Ų1545.2 Ų45.212%0.12426%0.258CS..THydrogen-bonded Turntrans-56.9-27.3178.200000114.1A179 L181 V370 V373A179-A183 PolarHBondContact O-N 2.86Å; L181-A183 PolarHBondContact O-N 2.62Å; A183-V370 HydrophobicContact CB-CG1 3.96Å; A183-V370 WeakPolarHBondContact CB-O 3.17Å; A183-V373 HydrophobicContact CB-CB 4.21Å; A183-V373 HydrophobicContact CB-CG1 4.09Å
184Y89.6Confident78.8Confident31 Ų3146.8 Ų46.812%0.12227%0.267CS..THydrogen-bonded Turntrans-106.912.6178-66.1-77.3000112.6A180 L181 L182 V186 V337 L362 S364 A365 V370A180-Y184 WeakPolarHBondContact O-CD2 3.32Å; L181-Y184 PolarHBondContact O-N 2.93Å; L181-Y184 VanDerWaalsContact O-N 3.09Å; L182-Y184 PolarHBondContact O-N 2.83Å; L182-Y184 VanDerWaalsContact O-N 3.1Å; Y184-V186 PolarHBondContact O-N 2.96Å; Y184-V186 VanDerWaalsContact O-N 3.08Å; Y184-V337 HydrophobicContact CD2-CG1 3.92Å; Y184-V337 HydrophobicContact CD2-CG2 4.35Å; Y184-V337 HydrophobicContact CE2-CG1 3.68Å; Y184-L362 HydrophobicContact CD1-CB 4.11Å; Y184-L362 HydrophobicContact CD1-CD2 4.45Å; Y184-L362 HydrophobicContact CD2-CB 4.24Å; Y184-L362 HydrophobicContact CD2-CD1 4.34Å; Y184-L362 HydrophobicContact CE1-CB 4.1Å; Y184-L362 HydrophobicContact CE2-CB 4.25Å; Y184-L362 HydrophobicContact CG-CB 4.18Å; Y184-L362 HydrophobicContact CG-CD1 4.04Å; Y184-L362 PolarHBondContact OH-O 3.19Å; Y184-S364 VanDerWaalsContact CE1-OG 3.32Å; Y184-S364 WeakPolarHBondContact CE1-OG 3.5Å; Y184-A365 HydrophobicContact CE1-CB 4.18Å; Y184-A365 PolarHBondContact OH-O 3.28Å; Y184-V370 HydrophobicContact CD2-CG1 4.48Å; Y184-V370 HydrophobicContact CE2-CB 4.5Å; Y184-V370 HydrophobicContact CE2-CG1 3.81Å; Y184-V370 HydrophobicContact CE2-CG2 3.8Å; Y184-V370 VanDerWaalsContact OH-CG2 3.25Å; Y184-V370 WeakPolarHBondContact OH-CG2 3.42Å
185N85Confident78.6Confident85 Ų8547.4 Ų47.446%0.45527%0.273SS..THydrogen-bonded Turntrans51.926.5-172.1-63.1-52.8000113.4L181 L182 G187 Q188 M377L181-N185 PolarHBondContact O-N 2.92Å; L182-N185 PolarHBondContact O-N 3.39Å; N185-G187 PolarHBondContact O-N 3.13Å; N185-Q188 HydrophobicContact CB-CB 4.36Å; N185-Q188 HydrophobicContact CB-CG 4.02Å; N185-Q188 WeakPolarHBondContact O-CB 3.4Å; N185-Q188 WeakPolarHBondContact O-CG 3.35Å; N185-Q188 PolarHBondContact O-N 3.21Å; N185-Q188 VanDerWaalsContact O-N 3.15Å; N185-M377 VanDerWaalsContact OD1-CE 3.23Å; N185-M377 WeakPolarHBondContact OD1-CE 3.33Å
186V80.8Confident78.6Confident6 Ų646.4 Ų46.44%0.03627%0.269CS..THydrogen-bonded Turntrans-71.2123.3-178.2173.90000109L181 Y184 V197 K335 L362L181-V186 HydrophobicContact CB-CB 4.12Å; L181-V186 HydrophobicContact CB-CG1 4.49Å; L181-V186 HydrophobicContact CD2-CG1 4.08Å; L181-V186 HydrophobicContact CG-CB 3.99Å; L181-V186 HydrophobicContact CG-CG1 3.89Å; L181-V186 PolarHBondContact O-N 3.01Å; Y184-V186 PolarHBondContact O-N 2.96Å; Y184-V186 VanDerWaalsContact O-N 3.08Å; V186-V197 HydrophobicContact CG1-CG1 4.38Å; V186-V197 HydrophobicContact CG1-CG2 3.71Å; V186-K335 HydrophobicContact CG1-CD 4.43Å; V186-K335 HydrophobicContact CG2-CD 4.15Å; V186-L362 HydrophobicContact CG2-CD1 3.46Å; V186-L362 VanDerWaalsContact CG2-CD1 3.46Å
187G65.1Low78.6Confident11 Ų1146 Ų4611%0.11327%0.267CS..THydrogen-bonded Turntrans92.40.6-176.100000115.3N185 D189 G217N185-G187 PolarHBondContact O-N 3.13Å; G187-D189 VanDerWaalsContact C-N 3.33Å; G187-G217 WeakPolarHBondContact O-CA 3.27Å; G187-G217 PolarHBondContact O-N 2.92Å
188Q63.8Low78.8Confident79 Ų7945.6 Ų45.637%0.36926%0.264SS..  trans-79.9-18.4170.8-58.2-61.8-20.700112.3N185N185-Q188 HydrophobicContact CB-CB 4.36Å; N185-Q188 HydrophobicContact CB-CG 4.02Å; N185-Q188 WeakPolarHBondContact O-CB 3.4Å; N185-Q188 WeakPolarHBondContact O-CG 3.35Å; N185-Q188 PolarHBondContact O-N 3.21Å; N185-Q188 VanDerWaalsContact O-N 3.15Å
189D55.1Low79Confident105 Ų10544.9 Ų44.956%0.56126%0.258SS*.SBendtrans-78.9131176.7-58.1-37.8000111G187 S191G187-D189 VanDerWaalsContact C-N 3.33Å; D189-S191 PolarHBondContact O-N 2.89Å; D189-S191 VanDerWaalsContact O-N 3.1Å
190Y47.8Very low79.2Confident167 Ų16744.9 Ų44.966%0.65526%0.258SS*.  trans-82.227.9-174.7-61.2-86.1000114S192 H432Y190-S192 PolarHBondContact O-N 2.82Å; Y190-H432 HydrophobicContact CE1-CB 4.26Å
191S50.8Low79.3Confident92 Ų9245.6 Ų45.664%0.64326%0.261SS*.  trans-64.7130.5177.6-51.40000110.2D189 G193D189-S191 PolarHBondContact O-N 2.89Å; D189-S191 VanDerWaalsContact O-N 3.1Å; S191-G193 PolarHBondContact O-N 3.4Å
192S48.6Very low79.5Confident135 Ų13545.6 Ų45.694%0.94426%0.261SS*.SBendtrans-74.759.2-172.745.20000113.4Y190Y190-S192 PolarHBondContact O-N 2.82Å
193G62.3Low79.8Confident42 Ų4245.6 Ų45.643%0.43326%0.264SS..SBendtrans-155.5147.4177.400000113.2S191 S195S191-G193 PolarHBondContact O-N 3.4Å; G193-S195 PolarHBondContact O-N 2.97Å
194N73.4Confident79.9Confident92 Ų9245.7 Ų45.749%0.49227%0.266SS..  trans-65.3121164.2-71.1-28.9000108.1Q213 N215N194-Q213 HydrophobicContact CB-CG 4.39Å; N194-Q213 PolarHBondContact ND2-NE2 3.16Å; N194-N215 PolarHBondContact OD1-ND2 3.1Å
195S88.2Confident80.2Confident32 Ų3244.9 Ų44.922%0.22427%0.265CS..EExtended strand (participates in β ladder)trans-111.2132.7175.2176.20000109.5G193 Q213 V214 N334G193-S195 PolarHBondContact O-N 2.97Å; S195-Q213 CarbonylContact O-C 3.17Å; S195-Q213 WeakPolarHBondContact O-CA 3.49Å; S195-V214 PolarHBondContact N-O 3.46Å; S195-V214 PolarHBondContact O-N 3.01Å; S195-N334 VanDerWaalsContact CA-OD1 3.3Å; S195-N334 WeakPolarHBondContact CA-OD1 3.49Å; S195-N334 WeakPolarHBondContact OG-CB 3.12Å; S195-N334 PolarHBondContact OG-OD1 3.31Å
196H93.4Very high80.7Confident35 Ų3541 Ų4116%0.16224%0.244CC..EExtended strand (participates in β ladder)trans-99.2129.6173.6-60.1101.9000110.1V211 L212 L328 D332 I333 N334H196-V211 HydrophobicContact CB-CG1 4.36Å; H196-L212 CarbonylContact C-O 3.53Å; H196-L212 WeakPolarHBondContact CA-O 3.36Å; H196-L328 HydrophobicContact CB-CD1 4.46Å; H196-D332 WeakPolarHBondContact CB-O 3.33Å; H196-I333 HydrophobicContact CB-CD1 3.91Å; H196-N334 PolarHBondContact N-OD1 2.96Å; H196-N334 PolarHBondContact O-N 2.92Å; H196-N334 PolarHBondContact O-OD1 3.14Å
197V95.4Very high81.4Confident0 Ų040.8 Ų40.80%024%0.243CC..EExtended strand (participates in β ladder)trans-122.1127.6179.9-1760000108.4L181 V186 L212 V214 K335 V337L181-V197 HydrophobicContact CD1-CB 4.44Å; L181-V197 HydrophobicContact CD1-CG1 3.8Å; L181-V197 HydrophobicContact CD2-CB 4.14Å; L181-V197 HydrophobicContact CD2-CG1 4.25Å; L181-V197 HydrophobicContact CD2-CG2 4.34Å; L181-V197 HydrophobicContact CG-CB 4.49Å; L181-V197 HydrophobicContact CG-CG1 4.05Å; V186-V197 HydrophobicContact CG1-CG1 4.38Å; V186-V197 HydrophobicContact CG1-CG2 3.71Å; V197-L212 PolarHBondContact N-O 3.06Å; V197-L212 PolarHBondContact O-N 3.18Å; V197-V214 HydrophobicContact CB-CG2 4.43Å; V197-V214 HydrophobicContact CG2-CG2 3.7Å; V197-K335 WeakPolarHBondContact CA-O 3.27Å; V197-K335 HydrophobicContact CG1-CB 4.18Å; V197-K335 HydrophobicContact CG2-CB 4.38Å; V197-V337 HydrophobicContact CG1-CG2 3.94Å
198L97.8Very high82.9Confident0 Ų040.8 Ų40.80%024%0.241CC..EExtended strand (participates in β ladder)trans-96.4122.4175.1-175.6141.6000109.8V209 T210 V211 I319 L323 I333 K335 V336 V337 F356L198-V209 HydrophobicContact CD1-CG1 4.01Å; L198-V209 HydrophobicContact CD2-CG1 4Å; L198-V209 HydrophobicContact CG-CG1 4.03Å; L198-T210 CarbonylContact C-O 3.39Å; L198-T210 WeakPolarHBondContact CA-O 3.39Å; L198-V211 HydrophobicContact CD1-CG2 4.26Å; L198-I319 HydrophobicContact CD1-CG2 3.92Å; L198-L323 HydrophobicContact CD1-CD2 4.34Å; L198-I333 HydrophobicContact CB-CD1 4.49Å; L198-I333 HydrophobicContact CB-CG2 3.98Å; L198-K335 PolarHBondContact N-O 3.08Å; L198-V336 HydrophobicContact CB-CG2 4.33Å; L198-V336 HydrophobicContact CD2-CG1 3.83Å; L198-V336 CarbonylContact O-C 3.48Å; L198-V336 VanDerWaalsContact O-CA 3.31Å; L198-V336 WeakPolarHBondContact O-CA 3.3Å; L198-V337 PolarHBondContact O-N 3.37Å; L198-F356 HydrophobicContact CD1-CZ 4.08Å
199V97.6Very high84.5Confident3 Ų337 Ų372%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-99.8117.4171.5-179.10000108.6P177 A180 L181 V209 T210 L212 V337P177-V199 HydrophobicContact CB-CB 4.25Å; P177-V199 HydrophobicContact CB-CG1 4.29Å; P177-V199 HydrophobicContact CB-CG2 4.2Å; A180-V199 HydrophobicContact CB-CG1 4.05Å; L181-V199 HydrophobicContact CD1-CG2 3.22Å; V199-V209 WeakPolarHBondContact O-CA 3.42Å; V199-T210 PolarHBondContact N-O 3.08Å; V199-T210 PolarHBondContact O-N 2.79Å; V199-L212 HydrophobicContact CB-CD1 4.23Å; V199-L212 HydrophobicContact CG2-CD1 3.45Å; V199-L212 VanDerWaalsContact CG2-CD1 3.45Å; V199-V337 HydrophobicContact CG2-CB 4.24Å
200Y97.9Very high86.5Confident0 Ų032.2 Ų32.20%020%0.198CC..EExtended strand (participates in β ladder)trans-105.1110.4173.1-179.2-87.3000109.5L202 L207 V209 S315 I319 V337 L338 C339 I352Y200-L202 HydrophobicContact CE1-CB 3.79Å; Y200-L207 HydrophobicContact CD2-CD1 4.07Å; Y200-L207 HydrophobicContact CE1-CD1 4.18Å; Y200-L207 HydrophobicContact CE2-CD1 3.49Å; Y200-L207 VanDerWaalsContact CE2-CD1 3.49Å; Y200-V209 HydrophobicContact CD2-CG2 3.84Å; Y200-V209 HydrophobicContact CE2-CG2 4.2Å; Y200-S315 WeakPolarHBondContact CE2-O 3.28Å; Y200-S315 WeakPolarHBondContact OH-CB 3.44Å; Y200-S315 PolarHBondContact OH-O 3.14Å; Y200-S315 PolarHBondContact OH-OG 3.22Å; Y200-I319 HydrophobicContact CD2-CD1 3.84Å; Y200-I319 HydrophobicContact CD2-CG1 4.09Å; Y200-I319 HydrophobicContact CE2-CD1 4.07Å; Y200-I319 HydrophobicContact CE2-CG1 4.4Å; Y200-V337 PolarHBondContact N-O 2.84Å; Y200-L338 HydrophobicContact CD1-CD2 4Å; Y200-L338 HydrophobicContact CG-CD2 4.31Å; Y200-C339 PolarHBondContact O-N 3.16Å; Y200-I352 HydrophobicContact CD1-CD1 3.61Å; Y200-I352 HydrophobicContact CD2-CD1 4.06Å; Y200-I352 HydrophobicContact CE1-CD1 3.7Å; Y200-I352 HydrophobicContact CE2-CD1 4.14Å; Y200-I352 HydrophobicContact CG-CD1 3.8Å
201K97.2Very high88.8Confident15 Ų1524.3 Ų24.37%0.06517%0.167CC..EExtended strand (participates in β ladder)trans-111.3106.2179.7-176.1-175.8162.2160.90111.2H11 E176 L207 S208 C339 I371H11-K201 PolarHBondContact CE1-NZ 3.35Å; E176-K201 IonicContact OE1-NZ 2.85Å; E176-K201 PolarHBondContact OE1-NZ 3.47Å; E176-K201 IonicContact OE2-NZ 2.97Å; E176-K201 PolarHBondContact OE2-NZ 3.33Å; K201-L207 CarbonylContact O-C 3.56Å; K201-L207 WeakPolarHBondContact O-CA 3.38Å; K201-L207 WeakPolarHBondContact O-CD1 3.36Å; K201-S208 WeakPolarHBondContact CA-O 3.13Å; K201-S208 PolarHBondContact N-O 3.15Å; K201-S208 PolarHBondContact O-N 3.37Å; K201-C339 VanDerWaalsContact CA-O 3.27Å; K201-C339 WeakPolarHBondContact CA-O 2.98Å; K201-C339 WeakPolarHBondContact CB-SG 3.44Å; K201-I371 HydrophobicContact CD-CD1 3.9Å; K201-I371 HydrophobicContact CG-CD1 4.47Å
202L97.5Very high90.8Very high0 Ų020 Ų200%014%0.137CC..EExtended strand (participates in β ladder)trans-107100.2168.9-170.467.3000110.6Y200 L207 F235 C339 G340 S342 S343 L348Y200-L202 HydrophobicContact CE1-CB 3.79Å; L202-L207 HydrophobicContact CB-CD1 4.31Å; L202-L207 HydrophobicContact CD1-CB 3.73Å; L202-L207 HydrophobicContact CD1-CD1 4.03Å; L202-L207 HydrophobicContact CD1-CG 4.35Å; L202-F235 HydrophobicContact CD2-CE2 3.88Å; L202-F235 HydrophobicContact CD2-CZ 4.29Å; L202-C339 PolarHBondContact N-O 3Å; L202-C339 VanDerWaalsContact N-O 3.08Å; L202-G340 CarbonylContact O-C 3.54Å; L202-G340 WeakPolarHBondContact O-CA 3.17Å; L202-S342 WeakPolarHBondContact O-CB 3.45Å; L202-S342 PolarHBondContact O-N 2.96Å; L202-S343 PolarHBondContact N-OG 2.72Å; L202-L348 HydrophobicContact CD2-CD1 3.32Å
203G95.9Very high92.8Very high12 Ų1215.5 Ų15.512%0.12410%0.101CC..  trans-83.8-161.6179.300000113.5S206 G232 S342G203-S206 PolarHBondContact N-O 2.68Å; G203-G232 PolarHBondContact O-N 2.94Å; G203-S342 PolarHBondContact O-OG 3.44Å
204G95.6Very high93.9Very high17 Ų1713.9 Ų13.918%0.1758%0.083CC..SBendtrans-74-38.5174.400000113.2G231 G232 E233G204-G231 CarbonylContact O-C 3.54Å; G204-G232 PolarHBondContact O-N 3.47Å; G204-E233 PolarHBondContact O-N 3.25Å
205T94.8Very high94.1Very high14 Ų1412.8 Ų12.89%0.0868%0.077CC..SBendtrans-120.2-14.3-172.351.10000114.6Y14 T15 K70Y14-T205 VanDerWaalsContact CB-OG1 3.24Å; Y14-T205 WeakPolarHBondContact CB-OG1 3.21Å; Y14-T205 WeakPolarHBondContact CD2-OG1 3.21Å; T15-T205 HydrophobicContact CG2-CG2 3.71Å; K70-T205 HydrophobicContact CD-CG2 3.97Å; K70-T205 HydrophobicContact CG-CG2 4.44Å
206S94.8Very high93.2Very high4 Ų412.1 Ų12.13%0.0288%0.075CC..  trans-147157.4-176.863.90000112.2G203 D227 I230G203-S206 PolarHBondContact N-O 2.68Å; S206-D227 WeakPolarHBondContact CA-O 3.45Å; S206-I230 CarbonylContact C-O 3.51Å; S206-I230 WeakPolarHBondContact CA-O 3.49Å
207L97.1Very high91.9Very high1 Ų112.4 Ų12.41%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-108.7132.3168.3168.162.1000108.7Y200 K201 L202 V209 T226 D227 I230 S315 P318Y200-L207 HydrophobicContact CD2-CD1 4.07Å; Y200-L207 HydrophobicContact CE1-CD1 4.18Å; Y200-L207 HydrophobicContact CE2-CD1 3.49Å; Y200-L207 VanDerWaalsContact CE2-CD1 3.49Å; K201-L207 CarbonylContact O-C 3.56Å; K201-L207 WeakPolarHBondContact O-CA 3.38Å; K201-L207 WeakPolarHBondContact O-CD1 3.36Å; L202-L207 HydrophobicContact CB-CD1 4.31Å; L202-L207 HydrophobicContact CD1-CB 3.73Å; L202-L207 HydrophobicContact CD1-CD1 4.03Å; L202-L207 HydrophobicContact CD1-CG 4.35Å; L207-V209 HydrophobicContact CD1-CG2 4.02Å; L207-V209 HydrophobicContact CG-CG2 4.27Å; L207-T226 CarbonylContact O-C 3.45Å; L207-T226 VanDerWaalsContact O-CA 3.26Å; L207-T226 WeakPolarHBondContact O-CA 3.47Å; L207-D227 HydrophobicContact CB-CB 4.48Å; L207-D227 PolarHBondContact N-O 3.45Å; L207-D227 PolarHBondContact O-N 2.82Å; L207-I230 HydrophobicContact CB-CG2 3.75Å; L207-I230 HydrophobicContact CD2-CG2 4.07Å; L207-I230 PolarHBondContact N-O 3.25Å; L207-S315 WeakPolarHBondContact CD2-O 3.4Å; L207-P318 HydrophobicContact CD2-CG 3.89Å
208S95.8Very high90.8Very high11 Ų1115.3 Ų15.38%0.07710%0.102CC..EExtended strand (participates in β ladder)trans-126.1132.4167.2-58.90000110.1K201 R225 T226K201-S208 WeakPolarHBondContact CA-O 3.13Å; K201-S208 PolarHBondContact N-O 3.15Å; K201-S208 PolarHBondContact O-N 3.37Å; S208-R225 CarbonylContact C-O 3.17Å; S208-R225 VanDerWaalsContact CA-O 3.26Å; S208-R225 WeakPolarHBondContact CA-O 3.27Å; S208-T226 WeakPolarHBondContact OG-CG2 3.41Å; S208-T226 PolarHBondContact OG-OG1 3.18Å
209V97.6Very high90Very high0 Ų017.9 Ų17.90%012%0.115CC..EExtended strand (participates in β ladder)trans-120.1126.6172.7-166.80000107.8L198 V199 Y200 L207 T224 R225 P318 I319 L322L198-V209 HydrophobicContact CD1-CG1 4.01Å; L198-V209 HydrophobicContact CD2-CG1 4Å; L198-V209 HydrophobicContact CG-CG1 4.03Å; V199-V209 WeakPolarHBondContact O-CA 3.42Å; Y200-V209 HydrophobicContact CD2-CG2 3.84Å; Y200-V209 HydrophobicContact CE2-CG2 4.2Å; L207-V209 HydrophobicContact CD1-CG2 4.02Å; L207-V209 HydrophobicContact CG-CG2 4.27Å; V209-T224 CarbonylContact O-C 3.47Å; V209-T224 WeakPolarHBondContact O-CA 3.48Å; V209-R225 PolarHBondContact N-O 3.12Å; V209-R225 PolarHBondContact O-N 3.32Å; V209-P318 HydrophobicContact CG2-CB 4.14Å; V209-I319 HydrophobicContact CG1-CG1 3.98Å; V209-I319 HydrophobicContact CG2-CG1 4.26Å; V209-L322 HydrophobicContact CB-CD2 3.84Å; V209-L322 HydrophobicContact CG1-CD2 3.44Å; V209-L322 VanDerWaalsContact CG1-CD2 3.44Å; V209-L322 WeakPolarHBondContact O-CD2 3.28Å
210T97.1Very high89.3Confident5 Ų526 Ų263%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-132.6133.1-176-56.50000110.2P177 L198 V199 L212 V221 S223 T224P177-T210 HydrophobicContact CB-CG2 4.04Å; P177-T210 HydrophobicContact CG-CG2 4.17Å; L198-T210 CarbonylContact C-O 3.39Å; L198-T210 WeakPolarHBondContact CA-O 3.39Å; V199-T210 PolarHBondContact N-O 3.08Å; V199-T210 PolarHBondContact O-N 2.79Å; T210-L212 HydrophobicContact CG2-CD1 3.81Å; T210-L212 HydrophobicContact CG2-CG 4.1Å; T210-V221 HydrophobicContact CG2-CG1 3.79Å; T210-V221 HydrophobicContact CG2-CG2 4.37Å; T210-S223 WeakPolarHBondContact CA-O 3.13Å; T210-T224 PolarHBondContact OG1-OG1 3.17Å
211V96.8Very high88.7Confident0 Ų027.9 Ų27.90%016%0.157CC..EExtended strand (participates in β ladder)trans-98.6127.2167.1176.20000108.4H196 L198 V222 S223 L322 L323 L328 I333H196-V211 HydrophobicContact CB-CG1 4.36Å; L198-V211 HydrophobicContact CD1-CG2 4.26Å; V211-V222 HydrophobicContact CB-CB 4.4Å; V211-V222 HydrophobicContact CG1-CB 4.17Å; V211-V222 HydrophobicContact CG1-CG2 4.38Å; V211-V222 PolarHBondContact O-N 2.86Å; V211-S223 PolarHBondContact N-O 3.02Å; V211-S223 PolarHBondContact O-N 3.18Å; V211-L322 HydrophobicContact CG2-CD2 3.77Å; V211-L322 HydrophobicContact CG2-CG 4.18Å; V211-L323 HydrophobicContact CG2-CD2 4.1Å; V211-L328 HydrophobicContact CG1-CD1 3.79Å; V211-I333 HydrophobicContact CG1-CD1 4.33Å; V211-I333 HydrophobicContact CG2-CD1 4.39Å
212L92.6Very high88.4Confident1 Ų129.8 Ų29.81%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-114.2136.2173.8-58.995.6000109.4P177 L181 H196 V197 V199 T210 R220 V221P177-L212 HydrophobicContact CB-CD1 4.03Å; P177-L212 HydrophobicContact CB-CD2 4.37Å; L181-L212 HydrophobicContact CD1-CD1 4.06Å; L181-L212 HydrophobicContact CD2-CB 4.23Å; L181-L212 HydrophobicContact CD2-CD2 4.35Å; H196-L212 CarbonylContact C-O 3.53Å; H196-L212 WeakPolarHBondContact CA-O 3.36Å; V197-L212 PolarHBondContact N-O 3.06Å; V197-L212 PolarHBondContact O-N 3.18Å; V199-L212 HydrophobicContact CB-CD1 4.23Å; V199-L212 HydrophobicContact CG2-CD1 3.45Å; V199-L212 VanDerWaalsContact CG2-CD1 3.45Å; T210-L212 HydrophobicContact CG2-CD1 3.81Å; T210-L212 HydrophobicContact CG2-CG 4.1Å; L212-R220 CarbonylContact C-O 3.47Å; L212-R220 VanDerWaalsContact CA-O 3.28Å; L212-R220 WeakPolarHBondContact CA-O 3.44Å; L212-V221 HydrophobicContact CD2-CG2 4.09Å; L212-V221 HydrophobicContact CG-CG2 4.38Å
213Q89.9Confident88.1Confident42 Ų4230.8 Ų30.820%0.19618%0.177CC..EExtended strand (participates in β ladder)trans-90.2130.7164.8-175.4179.439.200108.5N194 S195 R220 V222N194-Q213 HydrophobicContact CB-CG 4.39Å; N194-Q213 PolarHBondContact ND2-NE2 3.16Å; S195-Q213 CarbonylContact O-C 3.17Å; S195-Q213 WeakPolarHBondContact O-CA 3.49Å; Q213-R220 HydrophobicContact CB-CB 4.46Å; Q213-R220 PolarHBondContact N-O 3.17Å; Q213-R220 PolarHBondContact O-N 3.2Å; Q213-V222 HydrophobicContact CB-CG2 3.71Å
214V84.6Confident88Confident8 Ų832.1 Ų32.15%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-115.9122-178.5-176.20000107.8L181 S195 V197 M218 L219L181-V214 HydrophobicContact CD2-CG2 3.7Å; S195-V214 PolarHBondContact N-O 3.46Å; S195-V214 PolarHBondContact O-N 3.01Å; V197-V214 HydrophobicContact CB-CG2 4.43Å; V197-V214 HydrophobicContact CG2-CG2 3.7Å; V214-M218 WeakPolarHBondContact CA-O 3.47Å; V214-L219 HydrophobicContact CB-CD2 4.28Å; V214-L219 HydrophobicContact CG1-CD2 4Å; V214-L219 HydrophobicContact CG2-CD2 3.68Å
215N78.8Confident87.9Confident69 Ų6934.8 Ų34.837%0.36919%0.187SC..EExtended strand (participates in β ladder)trans-141.5105177.9-176.5-20.9000110N194 G217 M218N194-N215 PolarHBondContact OD1-ND2 3.1Å; N215-G217 PolarHBondContact O-N 3.44Å; N215-M218 HydrophobicContact CB-CE 4.47Å; N215-M218 PolarHBondContact N-O 3.21Å; N215-M218 WeakPolarHBondContact O-CB 3.34Å; N215-M218 PolarHBondContact O-N 2.83Å
216G68.3Low87.8Confident17 Ų1736.2 Ų36.218%0.17520%0.196CC..THydrogen-bonded Turntrans47.957.5178.200000112.8M218 R431G216-M218 PolarHBondContact O-N 3.47Å; G216-R431 PolarHBondContact O-NH1 3.06Å; G216-R431 PolarHBondContact O-NH2 3.38Å
217G67.3Low87.7Confident42 Ų4237.9 Ų37.943%0.43321%0.205SC..THydrogen-bonded Turntrans77-7.4-178.500000116.4G187 N215G187-G217 WeakPolarHBondContact O-CA 3.27Å; G187-G217 PolarHBondContact O-N 2.92Å; N215-G217 PolarHBondContact O-N 3.44Å
218M71.7Confident87.4Confident60 Ų6042.8 Ų42.830%0.29623%0.227SC..EExtended strand (participates in β ladder)trans-86.9128.2170.9-64.6-178.8-50.800110.3V214 N215 G216 P422 R431V214-M218 WeakPolarHBondContact CA-O 3.47Å; N215-M218 HydrophobicContact CB-CE 4.47Å; N215-M218 PolarHBondContact N-O 3.21Å; N215-M218 WeakPolarHBondContact O-CB 3.34Å; N215-M218 PolarHBondContact O-N 2.83Å; G216-M218 PolarHBondContact O-N 3.47Å; M218-P422 HydrophobicContact CE-CG 4.34Å; M218-R431 VanDerWaalsContact CE-NH2 3.3Å; M218-R431 VanDerWaalsContact CG-NH2 3.28Å; M218-R431 PolarHBondContact SD-NH2 3.47Å
219L80.8Confident87.1Confident55 Ų5545.7 Ų45.729%0.28825%0.248SC..EExtended strand (participates in β ladder)trans-106.8116.2174.9-56.3-179.1000109A178 L181 V214A178-L219 HydrophobicContact CB-CD1 3.98Å; L181-L219 HydrophobicContact CB-CD1 4.33Å; L181-L219 HydrophobicContact CD2-CD1 4.38Å; L181-L219 HydrophobicContact CD2-CD2 3.63Å; V214-L219 HydrophobicContact CB-CD2 4.28Å; V214-L219 HydrophobicContact CG1-CD2 4Å; V214-L219 HydrophobicContact CG2-CD2 3.68Å
220R84Confident86.9Confident172 Ų17245.7 Ų45.765%0.64925%0.248SC*.EExtended strand (participates in β ladder)trans-113.9125.7173.5178.5-179.1176.3178.80.6109.5L212 Q213 V222L212-R220 CarbonylContact C-O 3.47Å; L212-R220 VanDerWaalsContact CA-O 3.28Å; L212-R220 WeakPolarHBondContact CA-O 3.44Å; Q213-R220 HydrophobicContact CB-CB 4.46Å; Q213-R220 PolarHBondContact N-O 3.17Å; Q213-R220 PolarHBondContact O-N 3.2Å; R220-V222 PolarHBondContact O-N 3.32Å
221V85.4Confident86.9Confident40 Ų4045.5 Ų45.524%0.24225%0.247CC..EExtended strand (participates in β ladder)trans-72.3121.4169.81780000108.7F149 T210 L212F149-V221 HydrophobicContact CD2-CG2 4.1Å; F149-V221 HydrophobicContact CE1-CG1 4.5Å; F149-V221 HydrophobicContact CE2-CB 3.88Å; F149-V221 HydrophobicContact CE2-CG1 3.96Å; F149-V221 HydrophobicContact CE2-CG2 3.67Å; F149-V221 HydrophobicContact CZ-CB 4.14Å; F149-V221 HydrophobicContact CZ-CG1 3.94Å; F149-V221 HydrophobicContact CZ-CG2 4.42Å; T210-V221 HydrophobicContact CG2-CG1 3.79Å; T210-V221 HydrophobicContact CG2-CG2 4.37Å; L212-V221 HydrophobicContact CD2-CG2 4.09Å; L212-V221 HydrophobicContact CG-CG2 4.38Å
222V90.9Very high86.9Confident56 Ų5645.6 Ų45.634%0.33925%0.247SC..EExtended strand (participates in β ladder)trans-86.5-51.5177.4177.30000109.8V211 Q213 R220 A326V211-V222 HydrophobicContact CB-CB 4.4Å; V211-V222 HydrophobicContact CG1-CB 4.17Å; V211-V222 HydrophobicContact CG1-CG2 4.38Å; V211-V222 PolarHBondContact O-N 2.86Å; Q213-V222 HydrophobicContact CB-CG2 3.71Å; R220-V222 PolarHBondContact O-N 3.32Å; V222-A326 HydrophobicContact CG1-CB 3.97Å
223S90.8Very high87.1Confident21 Ų2148.8 Ų48.815%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-152.7152.3176.7-172.50000110.1T210 V211 L322T210-S223 WeakPolarHBondContact CA-O 3.13Å; V211-S223 PolarHBondContact N-O 3.02Å; V211-S223 PolarHBondContact O-N 3.18Å; S223-L322 VanDerWaalsContact OG-CD1 3.24Å; S223-L322 WeakPolarHBondContact OG-CD1 3.34Å
224T93.1Very high87.4Confident40 Ų4048 Ų4825%0.24526%0.262CS..EExtended strand (participates in β ladder)trans-140143.7174.1-164.70000110.6F149 V209 T210F149-T224 HydrophobicContact CD1-CG2 3.47Å; F149-T224 VanDerWaalsContact CD1-CG2 3.47Å; F149-T224 HydrophobicContact CE1-CG2 3.87Å; F149-T224 HydrophobicContact CG-CG2 4.21Å; V209-T224 CarbonylContact O-C 3.47Å; V209-T224 WeakPolarHBondContact O-CA 3.48Å; T210-T224 PolarHBondContact OG1-OG1 3.17Å
225R93.3Very high88.1Confident72 Ų7247.6 Ų47.627%0.27226%0.259SS..EExtended strand (participates in β ladder)trans-130.4134.5170-74.9-172.8-165.9-80.922.7109.6S208 V209 S321 L322 E325S208-R225 CarbonylContact C-O 3.17Å; S208-R225 VanDerWaalsContact CA-O 3.26Å; S208-R225 WeakPolarHBondContact CA-O 3.27Å; V209-R225 PolarHBondContact N-O 3.12Å; V209-R225 PolarHBondContact O-N 3.32Å; R225-S321 PolarHBondContact NE-O 3.42Å; R225-S321 VanDerWaalsContact NH2-C 3.34Å; R225-S321 PolarHBondContact NH2-O 3.38Å; R225-L322 HydrophobicContact CB-CD1 4.25Å; R225-L322 HydrophobicContact CG-CB 4.49Å; R225-L322 HydrophobicContact CG-CD1 3.8Å; R225-E325 IonicContact CZ-OE1 2.59Å; R225-E325 IonicContact CZ-OE2 3.38Å; R225-E325 IonicContact NE-OE2 3.76Å; R225-E325 IonicContact NH1-OE1 2.83Å; R225-E325 PolarHBondContact NH1-OE1 2.88Å; R225-E325 IonicContact NH1-OE2 3.94Å; R225-E325 PolarHBondContact NH1-OE2 2.95Å; R225-E325 VanDerWaalsContact NH2-CG 3.33Å; R225-E325 IonicContact NH2-OE1 3.84Å; R225-E325 PolarHBondContact NH2-OE1 2.83Å; R225-E325 IonicContact NH2-OE2 2.73Å; R225-E325 PolarHBondContact NH2-OE2 2.85Å; R225-E325 VanDerWaalsContact NH2-OE2 3.11Å
226T92.7Very high89Confident44 Ų4444.6 Ų44.627%0.2724%0.243SC..EExtended strand (participates in β ladder)trans-124.7126174.9-61.40000110L207 S208L207-T226 CarbonylContact O-C 3.45Å; L207-T226 VanDerWaalsContact O-CA 3.26Å; L207-T226 WeakPolarHBondContact O-CA 3.47Å; S208-T226 WeakPolarHBondContact OG-CG2 3.41Å; S208-T226 PolarHBondContact OG-OG1 3.18Å
227D92.8Very high90.4Very high40 Ų4048.6 Ų48.621%0.21426%0.258CS..EExtended strand (participates in β ladder)trans-111.3111.6173.8-175.8-0.1000109.1S206 L207 S229 I230S206-D227 WeakPolarHBondContact CA-O 3.45Å; L207-D227 HydrophobicContact CB-CB 4.48Å; L207-D227 PolarHBondContact N-O 3.45Å; L207-D227 PolarHBondContact O-N 2.82Å; D227-S229 VanDerWaalsContact C-N 3.31Å; D227-S229 VanDerWaalsContact CG-OG 3.29Å; D227-S229 WeakPolarHBondContact OD1-CA 3.37Å; D227-S229 VanDerWaalsContact OD1-CB 3.25Å; D227-S229 WeakPolarHBondContact OD1-CB 3.25Å; D227-S229 PolarHBondContact OD1-N 3.46Å; D227-S229 PolarHBondContact OD1-OG 2.83Å; D227-S229 PolarHBondContact OD2-OG 3.06Å; D227-I230 HydrophobicContact CB-CG2 4.07Å; D227-I230 WeakPolarHBondContact OD2-CG2 3.46Å
228H90.4Very high91.8Very high103 Ų10347.4 Ų47.448%0.47724%0.244SC..THydrogen-bonded Turntrans-85.6-2.6176.2-63.6-71.2000113.3E150E150-H228 IonicContact OE1-CE1 3.07Å
229S89.6Confident93.1Very high72 Ų7244.6 Ų44.650%0.50323%0.23SC..THydrogen-bonded Turntrans-91.52.3179.276.80000113.5D227 K314D227-S229 VanDerWaalsContact C-N 3.31Å; D227-S229 VanDerWaalsContact CG-OG 3.29Å; D227-S229 WeakPolarHBondContact OD1-CA 3.37Å; D227-S229 VanDerWaalsContact OD1-CB 3.25Å; D227-S229 WeakPolarHBondContact OD1-CB 3.25Å; D227-S229 PolarHBondContact OD1-N 3.46Å; D227-S229 PolarHBondContact OD1-OG 2.83Å; D227-S229 PolarHBondContact OD2-OG 3.06Å; S229-K314 PolarHBondContact O-NZ 2.8Å; S229-K314 WeakPolarHBondContact OG-CE 3.16Å; S229-K314 PolarHBondContact OG-NZ 2.96Å
230I94.8Very high93.9Very high1 Ų142 Ų421%0.00522%0.216CC..  trans-142.8135177.3-170.1162.8000111.4S206 L207 D227 F235 L311 K314S206-I230 CarbonylContact C-O 3.51Å; S206-I230 WeakPolarHBondContact CA-O 3.49Å; L207-I230 HydrophobicContact CB-CG2 3.75Å; L207-I230 HydrophobicContact CD2-CG2 4.07Å; L207-I230 PolarHBondContact N-O 3.25Å; D227-I230 HydrophobicContact CB-CG2 4.07Å; D227-I230 WeakPolarHBondContact OD2-CG2 3.46Å; I230-F235 HydrophobicContact CD1-CZ 4.48Å; I230-L311 HydrophobicContact CD1-CB 4.43Å; I230-L311 VanDerWaalsContact CD1-O 3.24Å; I230-L311 WeakPolarHBondContact CD1-O 3.49Å; I230-K314 HydrophobicContact CD1-CB 4.04Å; I230-K314 HydrophobicContact CD1-CD 4.14Å; I230-K314 HydrophobicContact CD1-CG 4.05Å
231G96.3Very high94.5Very high1 Ų139 Ų391%0.0121%0.21CC..SBendtrans-167.7-176.2174.500000111.5G204 E233 S234 F235G204-G231 CarbonylContact O-C 3.54Å; G231-E233 PolarHBondContact O-N 2.83Å; G231-E233 VanDerWaalsContact O-N 3.13Å; G231-S234 PolarHBondContact N-OG 2.86Å; G231-S234 WeakPolarHBondContact O-CB 3.37Å; G231-S234 PolarHBondContact O-N 2.8Å; G231-S234 PolarHBondContact O-OG 2.64Å; G231-F235 WeakPolarHBondContact O-CD2 3.34Å; G231-F235 WeakPolarHBondContact O-CE2 3.37Å
232G97Very high95.1Very high1 Ų138.1 Ų38.11%0.0120%0.203CC..Hα-helixtrans-49.3-34.5175.200000114.8G203 G204 F235 T236 K273 S342G203-G232 PolarHBondContact O-N 2.94Å; G204-G232 PolarHBondContact O-N 3.47Å; G232-F235 PolarHBondContact O-N 2.85Å; G232-T236 PolarHBondContact O-N 3.21Å; G232-T236 VanDerWaalsContact O-N 3.08Å; G232-T236 PolarHBondContact O-OG1 2.81Å; G232-K273 PolarHBondContact O-NZ 2.62Å; G232-K273 VanDerWaalsContact O-NZ 3.15Å; G232-S342 WeakPolarHBondContact CA-OG 3.24Å; G232-S342 PolarHBondContact N-OG 2.78Å
233E95.9Very high95.4Very high68 Ų6835.5 Ų35.532%0.31819%0.187SC..Hα-helixtrans-67.9-32.2177.5-72.9-178.4-17300113.1K70 G204 G231 F235 T236 Q237K70-E233 VanDerWaalsContact CE-CD 3.42Å; K70-E233 WeakPolarHBondContact CE-OE1 3.34Å; K70-E233 WeakPolarHBondContact CE-OE2 3.5Å; K70-E233 IonicContact NZ-OE1 3.85Å; K70-E233 IonicContact NZ-OE2 3.22Å; K70-E233 PolarHBondContact NZ-OE2 2.82Å; G204-E233 PolarHBondContact O-N 3.25Å; G231-E233 PolarHBondContact O-N 2.83Å; G231-E233 VanDerWaalsContact O-N 3.13Å; E233-F235 VanDerWaalsContact C-N 3.31Å; E233-F235 PolarHBondContact O-N 3.25Å; E233-T236 PolarHBondContact O-N 3.04Å; E233-Q237 VanDerWaalsContact O-CB 3.3Å; E233-Q237 WeakPolarHBondContact O-CB 3.25Å; E233-Q237 PolarHBondContact O-N 3.12Å
234S97.5Very high95.8Very high26 Ų2634.9 Ų34.918%0.18218%0.183CC..Hα-helixtrans-63-40.9175.8-47.80000111G231 Q237 A238G231-S234 PolarHBondContact N-OG 2.86Å; G231-S234 WeakPolarHBondContact O-CB 3.37Å; G231-S234 PolarHBondContact O-N 2.8Å; G231-S234 PolarHBondContact O-OG 2.64Å; S234-Q237 PolarHBondContact O-N 3.26Å; S234-A238 PolarHBondContact O-N 2.97Å
235F98.3Very high96Very high0 Ų036.2 Ų36.20%019%0.194CC..Hα-helixtrans-68.4-41.9174.9-57.3-80.4000111.7L202 I230 G231 G232 E233 Q237 A238 L239 K273 F304 C308 L311 F312 I345 L348L202-F235 HydrophobicContact CD2-CE2 3.88Å; L202-F235 HydrophobicContact CD2-CZ 4.29Å; I230-F235 HydrophobicContact CD1-CZ 4.48Å; G231-F235 WeakPolarHBondContact O-CD2 3.34Å; G231-F235 WeakPolarHBondContact O-CE2 3.37Å; G232-F235 PolarHBondContact O-N 2.85Å; E233-F235 VanDerWaalsContact C-N 3.31Å; E233-F235 PolarHBondContact O-N 3.25Å; F235-Q237 VanDerWaalsContact C-N 3.31Å; F235-Q237 PolarHBondContact O-N 2.89Å; F235-A238 PolarHBondContact O-N 2.72Å; F235-L239 PolarHBondContact O-N 2.78Å; F235-L239 VanDerWaalsContact O-N 3.11Å; F235-K273 HydrophobicContact CB-CD 4.11Å; F235-F304 HydrophobicContact CB-CE2 4.19Å; F235-F304 HydrophobicContact CB-CZ 4.06Å; F235-F304 HydrophobicContact CD1-CZ 4.45Å; F235-C308 HydrophobicContact CD1-CB 3.76Å; F235-C308 HydrophobicContact CE1-CB 4.17Å; F235-L311 HydrophobicContact CD1-CB 4.04Å; F235-L311 HydrophobicContact CD1-CD1 3.9Å; F235-L311 HydrophobicContact CE1-CB 3.45Å; F235-L311 VanDerWaalsContact CE1-CB 3.45Å; F235-L311 HydrophobicContact CE1-CD1 4.17Å; F235-L311 HydrophobicContact CE1-CG 4.47Å; F235-L311 HydrophobicContact CG-CD1 4.38Å; F235-L311 HydrophobicContact CZ-CB 3.98Å; F235-F312 HydrophobicContact CD1-CD1 4.29Å; F235-F312 AromaticContact CD1-CE1 3.84Å; F235-F312 HydrophobicContact CD1-CE1 3.84Å; F235-F312 AromaticContact CE1-CD1 3.41Å; F235-F312 HydrophobicContact CE1-CD1 3.41Å; F235-F312 VanDerWaalsContact CE1-CD1 3.41Å; F235-F312 AromaticContact CE1-CE1 3.39Å; F235-F312 HydrophobicContact CE1-CE1 3.39Å; F235-F312 HydrophobicContact CE1-CG 4.39Å; F235-F312 HydrophobicContact CE1-CZ 4.39Å; F235-F312 HydrophobicContact CZ-CD1 4.04Å; F235-F312 HydrophobicContact CZ-CE1 4.22Å; F235-I345 HydrophobicContact CD2-CD1 4.4Å; F235-I345 HydrophobicContact CG-CD1 4.31Å; F235-L348 HydrophobicContact CZ-CD1 4.42Å
236T97.9Very high96.2Very high5 Ų534.7 Ų34.73%0.03119%0.19CC..Hα-helixtrans-59.4-42.9173.7-61.70000111.1G232 E233 L239 A240 M266 A269 D270 K273G232-T236 PolarHBondContact O-N 3.21Å; G232-T236 VanDerWaalsContact O-N 3.08Å; G232-T236 PolarHBondContact O-OG1 2.81Å; E233-T236 PolarHBondContact O-N 3.04Å; T236-L239 PolarHBondContact O-N 3.26Å; T236-A240 WeakPolarHBondContact O-CB 3.24Å; T236-A240 PolarHBondContact O-N 2.88Å; T236-M266 HydrophobicContact CG2-CE 3.78Å; T236-M266 VanDerWaalsContact CG2-O 3.3Å; T236-M266 WeakPolarHBondContact CG2-O 3.31Å; T236-M266 HydrophobicContact CG2-SD 4.13Å; T236-A269 HydrophobicContact CG2-CB 4.01Å; T236-D270 HydrophobicContact CG2-CB 3.87Å; T236-D270 PolarHBondContact OG1-OD1 3.31Å; T236-K273 PolarHBondContact OG1-NZ 3.25Å
237Q97.1Very high96.4Very high102 Ų10232.6 Ų32.648%0.47718%0.177SC..Hα-helixtrans-65.5-44.3179.6-175.5178.111.100112.1E233 S234 F235 L239 A240 Q241 M266E233-Q237 VanDerWaalsContact O-CB 3.3Å; E233-Q237 WeakPolarHBondContact O-CB 3.25Å; E233-Q237 PolarHBondContact O-N 3.12Å; S234-Q237 PolarHBondContact O-N 3.26Å; F235-Q237 VanDerWaalsContact C-N 3.31Å; F235-Q237 PolarHBondContact O-N 2.89Å; Q237-L239 VanDerWaalsContact C-N 3.28Å; Q237-L239 PolarHBondContact O-N 3.45Å; Q237-A240 PolarHBondContact O-N 2.92Å; Q237-Q241 WeakPolarHBondContact O-CB 3.26Å; Q237-Q241 VanDerWaalsContact O-CG 3.31Å; Q237-Q241 WeakPolarHBondContact O-CG 3.28Å; Q237-Q241 PolarHBondContact O-N 3.34Å; Q237-M266 HydrophobicContact CB-CE 4.34Å; Q237-M266 HydrophobicContact CB-SD 4.29Å
238A97.9Very high96.6Very high17 Ų1735.5 Ų35.514%0.1419%0.188CC..Hα-helixtrans-58.9-42175.700000111.5S234 F235 H242 L311S234-A238 PolarHBondContact O-N 2.97Å; F235-A238 PolarHBondContact O-N 2.72Å; A238-H242 PolarHBondContact O-N 2.87Å; A238-H242 VanDerWaalsContact O-N 3.16Å; A238-L311 HydrophobicContact CB-CD1 4.18Å
239L98.1Very high96.9Very high0 Ų037.4 Ų37.40%019%0.191CC..Hα-helixtrans-67.6-44.1175.3-178.256.1000111.9F235 T236 Q237 Q241 H242 L243 A269 A272 K273 V299 F304F235-L239 PolarHBondContact O-N 2.78Å; F235-L239 VanDerWaalsContact O-N 3.11Å; T236-L239 PolarHBondContact O-N 3.26Å; Q237-L239 VanDerWaalsContact C-N 3.28Å; Q237-L239 PolarHBondContact O-N 3.45Å; L239-Q241 VanDerWaalsContact C-N 3.32Å; L239-Q241 PolarHBondContact O-N 2.87Å; L239-H242 WeakPolarHBondContact O-CB 3.25Å; L239-H242 PolarHBondContact O-N 3.18Å; L239-H242 VanDerWaalsContact O-N 3.13Å; L239-L243 WeakPolarHBondContact O-CG 3.49Å; L239-L243 PolarHBondContact O-N 3.44Å; L239-A269 HydrophobicContact CB-CB 4.09Å; L239-A269 HydrophobicContact CD2-CB 4.05Å; L239-A269 WeakPolarHBondContact CD2-O 3.46Å; L239-A269 HydrophobicContact CG-CB 3.88Å; L239-A272 HydrophobicContact CD2-CB 4.1Å; L239-K273 HydrophobicContact CD2-CB 4.49Å; L239-V299 HydrophobicContact CD1-CG1 3.93Å; L239-V299 HydrophobicContact CD1-CG2 4.19Å; L239-F304 HydrophobicContact CB-CD2 4.42Å; L239-F304 HydrophobicContact CD2-CD2 4.28Å
240A97.8Very high97.3Very high1 Ų137.4 Ų37.41%0.00819%0.188CC..Hα-helixtrans-61.9-37.2177.600000112.7T236 Q237 L243 A244 L265 M266 A269T236-A240 WeakPolarHBondContact O-CB 3.24Å; T236-A240 PolarHBondContact O-N 2.88Å; Q237-A240 PolarHBondContact O-N 2.92Å; A240-L243 PolarHBondContact O-N 2.86Å; A240-A244 WeakPolarHBondContact O-CB 3.32Å; A240-A244 PolarHBondContact O-N 3.2Å; A240-L265 HydrophobicContact CB-CB 4.39Å; A240-M266 HydrophobicContact CB-CG 4.2Å; A240-M266 HydrophobicContact CB-SD 3.54Å; A240-M266 VanDerWaalsContact CB-SD 3.54Å; A240-A269 HydrophobicContact CB-CB 4Å
241Q97.5Very high97.3Very high110 Ų11040.8 Ų40.851%0.51420%0.203SC..Hα-helixtrans-64.8-39.6173.6-74.2172.7-5.700112Q237 L239 A244 S245Q237-Q241 WeakPolarHBondContact O-CB 3.26Å; Q237-Q241 VanDerWaalsContact O-CG 3.31Å; Q237-Q241 WeakPolarHBondContact O-CG 3.28Å; Q237-Q241 PolarHBondContact O-N 3.34Å; L239-Q241 VanDerWaalsContact C-N 3.32Å; L239-Q241 PolarHBondContact O-N 2.87Å; Q241-A244 PolarHBondContact O-N 2.59Å; Q241-S245 WeakPolarHBondContact O-CB 3.23Å; Q241-S245 PolarHBondContact O-N 3.45Å; Q241-S245 PolarHBondContact O-OG 3.46Å
242H97.8Very high97.3Very high21 Ų2148.7 Ų48.710%0.09724%0.237CC..Hα-helixtrans-61.8-46.9172.3175.445.4000111.1A238 L239 A244 S245 E246 L307A238-H242 PolarHBondContact O-N 2.87Å; A238-H242 VanDerWaalsContact O-N 3.16Å; L239-H242 WeakPolarHBondContact O-CB 3.25Å; L239-H242 PolarHBondContact O-N 3.18Å; L239-H242 VanDerWaalsContact O-N 3.13Å; H242-A244 PolarHBondContact O-N 3.1Å; H242-S245 WeakPolarHBondContact O-CB 3.39Å; H242-S245 PolarHBondContact O-N 3.22Å; H242-S245 VanDerWaalsContact O-N 3.11Å; H242-E246 VanDerWaalsContact CE1-CG 3.5Å; H242-E246 WeakPolarHBondContact CE1-CG 3.32Å; H242-E246 IonicContact CE1-OE1 3.76Å; H242-E246 PolarHBondContact CE1-OE1 3.38Å; H242-E246 IonicContact ND1-OE1 3.02Å; H242-E246 WeakPolarHBondContact O-CG 3.27Å; H242-E246 PolarHBondContact O-N 3.16Å; H242-L307 HydrophobicContact CB-CD1 3.66Å; H242-L307 HydrophobicContact CB-CD2 4.19Å
243L98Very high97.1Very high0 Ų053.4 Ų53.40%026%0.258CS..Hα-helixtrans-60.3-42.5177.3-65.8178.1000112.4L239 A240 S245 E246 F247 L265 A269 C284 F295 C297 V299L239-L243 WeakPolarHBondContact O-CG 3.49Å; L239-L243 PolarHBondContact O-N 3.44Å; A240-L243 PolarHBondContact O-N 2.86Å; L243-S245 VanDerWaalsContact C-N 3.3Å; L243-S245 PolarHBondContact O-N 2.89Å; L243-E246 PolarHBondContact O-N 3.13Å; L243-F247 PolarHBondContact O-N 3.23Å; L243-L265 HydrophobicContact CB-CD2 3.89Å; L243-L265 HydrophobicContact CD1-CD2 4.42Å; L243-A269 HydrophobicContact CD1-CB 4.03Å; L243-C284 HydrophobicContact CD1-CB 3.95Å; L243-C284 HydrophobicContact CD2-CB 3.9Å; L243-F295 HydrophobicContact CB-CE1 3.99Å; L243-F295 HydrophobicContact CB-CZ 4.46Å; L243-F295 HydrophobicContact CD2-CE1 4.14Å; L243-F295 HydrophobicContact CD2-CZ 4.47Å; L243-F295 WeakPolarHBondContact O-CZ 3.37Å; L243-C297 HydrophobicContact CD2-CB 3.88Å; L243-V299 HydrophobicContact CD2-CG2 3.99Å
244A97.8Very high97.1Very high8 Ų853.7 Ų53.77%0.06626%0.262CS..Hα-helixtrans-61.4-39.1174.300000112.1A240 Q241 H242 F247 K248 V255 L265A240-A244 WeakPolarHBondContact O-CB 3.32Å; A240-A244 PolarHBondContact O-N 3.2Å; Q241-A244 PolarHBondContact O-N 2.59Å; H242-A244 PolarHBondContact O-N 3.1Å; A244-F247 PolarHBondContact O-N 3.49Å; A244-K248 PolarHBondContact O-N 3.19Å; A244-V255 HydrophobicContact CB-CG2 4.17Å; A244-L265 HydrophobicContact CB-CD1 3.9Å
245S97.4Very high97Very high69 Ų6952.5 Ų52.548%0.48325%0.254SS..Hα-helixtrans-66.7-39.8176.4-57.40000111.8Q241 H242 L243 K248 R249Q241-S245 WeakPolarHBondContact O-CB 3.23Å; Q241-S245 PolarHBondContact O-N 3.45Å; Q241-S245 PolarHBondContact O-OG 3.46Å; H242-S245 WeakPolarHBondContact O-CB 3.39Å; H242-S245 PolarHBondContact O-N 3.22Å; H242-S245 VanDerWaalsContact O-N 3.11Å; L243-S245 VanDerWaalsContact C-N 3.3Å; L243-S245 PolarHBondContact O-N 2.89Å; S245-K248 PolarHBondContact O-N 2.84Å; S245-R249 WeakPolarHBondContact O-CB 3.21Å; S245-R249 PolarHBondContact O-N 3Å
246E97.5Very high96.6Very high39 Ų3955.3 Ų55.318%0.18227%0.273CS..Hα-helixtrans-66.2-39.2174.7-71.4-56.2129.900112.2H242 L243 R249 T250 F295H242-E246 VanDerWaalsContact CE1-CG 3.5Å; H242-E246 WeakPolarHBondContact CE1-CG 3.32Å; H242-E246 IonicContact CE1-OE1 3.76Å; H242-E246 PolarHBondContact CE1-OE1 3.38Å; H242-E246 IonicContact ND1-OE1 3.02Å; H242-E246 WeakPolarHBondContact O-CG 3.27Å; H242-E246 PolarHBondContact O-N 3.16Å; L243-E246 PolarHBondContact O-N 3.13Å; E246-R249 PolarHBondContact O-N 3.11Å; E246-R249 IonicContact OE1-NE 3.17Å; E246-R249 IonicContact OE2-CZ 3.51Å; E246-R249 IonicContact OE2-NE 3.96Å; E246-R249 PolarHBondContact OE2-NE 3.03Å; E246-R249 IonicContact OE2-NH2 3.98Å; E246-R249 PolarHBondContact OE2-NH2 3.46Å; E246-T250 WeakPolarHBondContact O-CB 3.5Å; E246-T250 PolarHBondContact O-N 3.42Å; E246-T250 PolarHBondContact O-OG1 2.89Å; E246-F295 HydrophobicContact CB-CE2 4.46Å; E246-F295 HydrophobicContact CB-CZ 4.11Å
247F97.5Very high96.1Very high1 Ų160.6 Ų60.60%0.00431%0.309CS..Hα-helixtrans-60.5-49.4172.4-174.8-93.2000110.8L243 A244 R249 T250 F251 H253 V255 L289 H290 V293 F295L243-F247 PolarHBondContact O-N 3.23Å; A244-F247 PolarHBondContact O-N 3.49Å; F247-R249 VanDerWaalsContact C-N 3.31Å; F247-R249 PolarHBondContact O-N 3.43Å; F247-T250 PolarHBondContact O-N 3.08Å; F247-F251 AromaticContact CD2-CD2 3.37Å; F247-F251 HydrophobicContact CD2-CD2 3.37Å; F247-F251 AromaticContact CD2-CE2 3.83Å; F247-F251 HydrophobicContact CD2-CE2 3.83Å; F247-F251 HydrophobicContact CD2-CG 4.24Å; F247-F251 HydrophobicContact CE1-CB 4.12Å; F247-F251 HydrophobicContact CE2-CB 4.24Å; F247-F251 AromaticContact CE2-CD2 3.37Å; F247-F251 HydrophobicContact CE2-CD2 3.37Å; F247-F251 AromaticContact CE2-CE2 3.86Å; F247-F251 HydrophobicContact CE2-CE2 3.86Å; F247-F251 AromaticContact CE2-CG 3.85Å; F247-F251 HydrophobicContact CE2-CG 3.85Å; F247-F251 HydrophobicContact CG-CD2 4.01Å; F247-F251 HydrophobicContact CZ-CB 3.95Å; F247-F251 AromaticContact CZ-CD2 3.98Å; F247-F251 HydrophobicContact CZ-CD2 3.98Å; F247-F251 HydrophobicContact CZ-CG 4.03Å; F247-F251 PolarHBondContact O-N 2.84Å; F247-H253 WeakPolarHBondContact CD1-O 3.44Å; F247-H253 HydrophobicContact CE1-CB 3.95Å; F247-V255 HydrophobicContact CD1-CB 4.44Å; F247-V255 HydrophobicContact CD1-CG1 3.57Å; F247-V255 HydrophobicContact CD1-CG2 4.04Å; F247-V255 HydrophobicContact CE1-CG1 3.45Å; F247-V255 VanDerWaalsContact CE1-CG1 3.45Å; F247-V255 HydrophobicContact CG-CG1 4.49Å; F247-V255 HydrophobicContact CG-CG2 4.46Å; F247-V255 HydrophobicContact CZ-CG1 4.29Å; F247-L289 HydrophobicContact CB-CD2 4.4Å; F247-L289 HydrophobicContact CD2-CD2 3.55Å; F247-L289 HydrophobicContact CD2-CG 4.48Å; F247-L289 HydrophobicContact CE2-CB 4.45Å; F247-L289 HydrophobicContact CE2-CD2 3.93Å; F247-L289 HydrophobicContact CE2-CG 4.42Å; F247-L289 HydrophobicContact CG-CD2 3.94Å; F247-H290 HydrophobicContact CE1-CB 4.04Å; F247-H290 HydrophobicContact CZ-CB 3.77Å; F247-V293 HydrophobicContact CE2-CG1 4Å; F247-V293 HydrophobicContact CZ-CB 4.49Å; F247-V293 HydrophobicContact CZ-CG1 4.29Å; F247-F295 HydrophobicContact CB-CD2 4.17Å; F247-F295 HydrophobicContact CB-CE2 3.95Å; F247-F295 HydrophobicContact CB-CZ 4.26Å; F247-F295 HydrophobicContact CD2-CB 3.97Å; F247-F295 AromaticContact CD2-CD2 3.57Å; F247-F295 HydrophobicContact CD2-CD2 3.57Å; F247-F295 HydrophobicContact CD2-CE2 4.19Å; F247-F295 AromaticContact CD2-CG 3.85Å; F247-F295 HydrophobicContact CD2-CG 3.85Å; F247-F295 HydrophobicContact CE2-CB 4.29Å; F247-F295 HydrophobicContact CE2-CD2 4.48Å; F247-F295 HydrophobicContact CG-CD2 4.37Å
248K97.3Very high95.9Very high100 Ų10058.8 Ų58.844%0.43530%0.303SS..Hα-helixtrans-59.9-40176.4-174.4176.6-175.2167.80112.5A244 S245 K252 H253 D254A244-K248 PolarHBondContact O-N 3.19Å; S245-K248 PolarHBondContact O-N 2.84Å; K248-K252 WeakPolarHBondContact O-CA 3.46Å; K248-K252 PolarHBondContact O-N 3.39Å; K248-H253 VanDerWaalsContact CA-O 3.22Å; K248-H253 WeakPolarHBondContact CA-O 3.17Å; K248-D254 HydrophobicContact CD-CB 4.09Å; K248-D254 IonicContact NZ-OD2 3.91Å; K248-D254 PolarHBondContact NZ-OD2 3.35Å
249R97.2Very high95.5Very high144 Ų14462 Ų6254%0.54332%0.322SS..Hα-helixtrans-62.3-43.5176.8-173.1-174.763.767.65.3111.6S245 E246 F247 K252S245-R249 WeakPolarHBondContact O-CB 3.21Å; S245-R249 PolarHBondContact O-N 3Å; E246-R249 PolarHBondContact O-N 3.11Å; E246-R249 IonicContact OE1-NE 3.17Å; E246-R249 IonicContact OE2-CZ 3.51Å; E246-R249 IonicContact OE2-NE 3.96Å; E246-R249 PolarHBondContact OE2-NE 3.03Å; E246-R249 IonicContact OE2-NH2 3.98Å; E246-R249 PolarHBondContact OE2-NH2 3.46Å; F247-R249 VanDerWaalsContact C-N 3.31Å; F247-R249 PolarHBondContact O-N 3.43Å; R249-K252 PolarHBondContact O-NZ 3.41Å
250T96.4Very high95.2Very high71 Ų7168.5 Ų68.544%0.43635%0.347SS..Hα-helixtrans-81.7-48.5-172.4-53.70000112E246 F247E246-T250 WeakPolarHBondContact O-CB 3.5Å; E246-T250 PolarHBondContact O-N 3.42Å; E246-T250 PolarHBondContact O-OG1 2.89Å; F247-T250 PolarHBondContact O-N 3.08Å
251F95.3Very high95.1Very high73 Ų7368.5 Ų68.532%0.3235%0.347SS..Hα-helixtrans-102.9-4.5-172.9-61.1-81.1000113.9F247 H253 V293 F295F247-F251 AromaticContact CD2-CD2 3.37Å; F247-F251 HydrophobicContact CD2-CD2 3.37Å; F247-F251 AromaticContact CD2-CE2 3.83Å; F247-F251 HydrophobicContact CD2-CE2 3.83Å; F247-F251 HydrophobicContact CD2-CG 4.24Å; F247-F251 HydrophobicContact CE1-CB 4.12Å; F247-F251 HydrophobicContact CE2-CB 4.24Å; F247-F251 AromaticContact CE2-CD2 3.37Å; F247-F251 HydrophobicContact CE2-CD2 3.37Å; F247-F251 AromaticContact CE2-CE2 3.86Å; F247-F251 HydrophobicContact CE2-CE2 3.86Å; F247-F251 AromaticContact CE2-CG 3.85Å; F247-F251 HydrophobicContact CE2-CG 3.85Å; F247-F251 HydrophobicContact CG-CD2 4.01Å; F247-F251 HydrophobicContact CZ-CB 3.95Å; F247-F251 AromaticContact CZ-CD2 3.98Å; F247-F251 HydrophobicContact CZ-CD2 3.98Å; F247-F251 HydrophobicContact CZ-CG 4.03Å; F247-F251 PolarHBondContact O-N 2.84Å; F251-H253 PolarHBondContact O-CD2 3.15Å; F251-H253 PolarHBondContact O-N 2.85Å; F251-H253 VanDerWaalsContact O-N 3.14Å; F251-V293 HydrophobicContact CD1-CG1 3.58Å; F251-V293 HydrophobicContact CD2-CG1 4.47Å; F251-V293 HydrophobicContact CE1-CG1 3.37Å; F251-V293 HydrophobicContact CE2-CG1 4.32Å; F251-V293 HydrophobicContact CG-CG1 4.13Å; F251-V293 HydrophobicContact CZ-CG1 3.77Å; F251-F295 HydrophobicContact CE2-CD2 4Å
252K95.8Very high94.9Very high166 Ų16666.4 Ų66.472%0.72234%0.339SS*.SBendtrans62.214-179.2-48.8-54.3-176.8-163.80115.1K248 R249K248-K252 WeakPolarHBondContact O-CA 3.46Å; K248-K252 PolarHBondContact O-N 3.39Å; R249-K252 PolarHBondContact O-NZ 3.41Å
253H94.3Very high94.7Very high101 Ų10167.2 Ų67.247%0.46834%0.344SS..  trans-111.4139.7175.8-73-80.4000111.7F247 K248 F251 H290F247-H253 WeakPolarHBondContact CD1-O 3.44Å; F247-H253 HydrophobicContact CE1-CB 3.95Å; K248-H253 VanDerWaalsContact CA-O 3.22Å; K248-H253 WeakPolarHBondContact CA-O 3.17Å; F251-H253 PolarHBondContact O-CD2 3.15Å; F251-H253 PolarHBondContact O-N 2.85Å; F251-H253 VanDerWaalsContact O-N 3.14Å; H253-H290 AromaticContact CG-CD2 3.86Å; H253-H290 AromaticContact CG-NE2 3.83Å; H253-H290 AromaticContact ND1-NE2 3.69Å
254D94.5Very high94.5Very high74 Ų7469.2 Ų69.240%0.39635%0.352SS..  trans-99.1113.1179.4-163.1-25000111.2K248 S256K248-D254 HydrophobicContact CD-CB 4.09Å; K248-D254 IonicContact NZ-OD2 3.91Å; K248-D254 PolarHBondContact NZ-OD2 3.35Å; D254-S256 WeakPolarHBondContact OD1-CB 3.43Å; D254-S256 PolarHBondContact OD1-N 2.83Å; D254-S256 PolarHBondContact OD1-OG 3.15Å
255V94.8Very high94.5Very high1 Ų168.8 Ų68.81%0.00635%0.349CS..  trans-94.6-2.2-179.4-64.90000113.3A244 F247 C257 N258 A261 L265 H290A244-V255 HydrophobicContact CB-CG2 4.17Å; F247-V255 HydrophobicContact CD1-CB 4.44Å; F247-V255 HydrophobicContact CD1-CG1 3.57Å; F247-V255 HydrophobicContact CD1-CG2 4.04Å; F247-V255 HydrophobicContact CE1-CG1 3.45Å; F247-V255 VanDerWaalsContact CE1-CG1 3.45Å; F247-V255 HydrophobicContact CG-CG1 4.49Å; F247-V255 HydrophobicContact CG-CG2 4.46Å; F247-V255 HydrophobicContact CZ-CG1 4.29Å; V255-C257 PolarHBondContact O-N 3.29Å; V255-N258 PolarHBondContact O-N 3.42Å; V255-A261 HydrophobicContact CB-CB 3.98Å; V255-A261 HydrophobicContact CG1-CB 4.41Å; V255-L265 HydrophobicContact CG2-CD1 3.82Å; V255-H290 HydrophobicContact CG1-CB 3.76Å
256S90.1Very high94.4Very high59 Ų5967.8 Ų67.841%0.41334%0.337SS..THydrogen-bonded Turntrans-61.4-28.2-176.561.80000113.4D254D254-S256 WeakPolarHBondContact OD1-CB 3.43Å; D254-S256 PolarHBondContact OD1-N 2.83Å; D254-S256 PolarHBondContact OD1-OG 3.15Å
257C88.8Confident94.3Very high116 Ų11667.5 Ų67.578%0.78434%0.337SS*.THydrogen-bonded Turntrans-88.5-5.6179.6-62.50000113.4V255 P259V255-C257 PolarHBondContact O-N 3.29Å; C257-P259 WeakPolarHBondContact O-CD 2.82Å
258N91.9Very high94.2Very high63 Ų6367.7 Ų67.734%0.33734%0.339SS..  trans-97107.9178.5-177.8-36.8000109.9V255 R260 A261 L262V255-N258 PolarHBondContact O-N 3.42Å; N258-R260 VanDerWaalsContact C-N 3.25Å; N258-R260 PolarHBondContact O-N 3.02Å; N258-R260 WeakPolarHBondContact OD1-CB 3.24Å; N258-R260 PolarHBondContact OD1-N 3.11Å; N258-A261 HydrophobicContact CB-CB 3.83Å; N258-A261 PolarHBondContact O-N 3.48Å; N258-A261 PolarHBondContact OD1-N 3.08Å; N258-L262 WeakPolarHBondContact O-CB 3.12Å; N258-L262 PolarHBondContact O-N 2.97Å
259P90.1Very high94.3Very high86 Ų8663 Ų6356%0.55832%0.318SS*.Hα-helixtrans-61-33.3-175.1-24.635.3000113.6C257 L263C257-P259 WeakPolarHBondContact O-CD 2.82Å; P259-L263 WeakPolarHBondContact O-CB 3.4Å; P259-L263 PolarHBondContact O-N 3.41Å
260R91.9Very high94.2Very high135 Ų13557.3 Ų57.351%0.50930%0.299SS..Hα-helixtrans-72.2-44.1179.6-174.8179.1179.3-171.5-3.3111.1V61 N258 L263 K264V61-R260 HydrophobicContact CG1-CG 3.95Å; N258-R260 VanDerWaalsContact C-N 3.25Å; N258-R260 PolarHBondContact O-N 3.02Å; N258-R260 WeakPolarHBondContact OD1-CB 3.24Å; N258-R260 PolarHBondContact OD1-N 3.11Å; R260-L263 PolarHBondContact O-N 2.92Å; R260-K264 WeakPolarHBondContact O-CG 3.43Å; R260-K264 PolarHBondContact O-N 2.94Å
261A94.6Very high94.1Very high2 Ų259.6 Ų59.62%0.01731%0.306CS..Hα-helixtrans-63.2-43.5175.900000111V255 N258 L263 K264 L265 L289V255-A261 HydrophobicContact CB-CB 3.98Å; V255-A261 HydrophobicContact CG1-CB 4.41Å; N258-A261 HydrophobicContact CB-CB 3.83Å; N258-A261 PolarHBondContact O-N 3.48Å; N258-A261 PolarHBondContact OD1-N 3.08Å; A261-L263 PolarHBondContact O-N 3.09Å; A261-K264 WeakPolarHBondContact O-CB 3.24Å; A261-K264 PolarHBondContact O-N 2.92Å; A261-L265 WeakPolarHBondContact O-CG 3.35Å; A261-L265 PolarHBondContact O-N 3.37Å; A261-L289 HydrophobicContact CB-CD1 3.76Å; A261-L289 WeakPolarHBondContact CB-O 3.49Å; A261-L289 WeakPolarHBondContact O-CD1 3.39Å
262L93.8Very high94.2Very high65 Ų6556.2 Ų56.234%0.3429%0.292SS..Hα-helixtrans-61.7-42.1176.3-173.563.3000112N258 K264 L265 M266N258-L262 WeakPolarHBondContact O-CB 3.12Å; N258-L262 PolarHBondContact O-N 2.97Å; L262-K264 PolarHBondContact O-N 3.38Å; L262-L265 PolarHBondContact O-N 3.21Å; L262-M266 VanDerWaalsContact O-CG 3.27Å; L262-M266 WeakPolarHBondContact O-CG 3.38Å; L262-M266 PolarHBondContact O-N 3.01Å
263L93.1Very high94.3Very high38 Ų3849 Ų4920%0.19926%0.26CS..Hα-helixtrans-64.5-38.5176.2-176.358.9000112.2Q60 V61 P259 R260 A261 M266 N267Q60-L263 HydrophobicContact CB-CD2 4.49Å; Q60-L263 HydrophobicContact CG-CD2 4.04Å; V61-L263 HydrophobicContact CG2-CD2 4.24Å; V61-L263 HydrophobicContact CG2-CG 4.18Å; P259-L263 WeakPolarHBondContact O-CB 3.4Å; P259-L263 PolarHBondContact O-N 3.41Å; R260-L263 PolarHBondContact O-N 2.92Å; A261-L263 PolarHBondContact O-N 3.09Å; L263-M266 PolarHBondContact O-N 3.26Å; L263-N267 PolarHBondContact O-N 3.44Å
264K95.6Very high94.3Very high42 Ų4248.8 Ų48.818%0.18326%0.259CS..Hα-helixtrans-60.7-44.8172.1-72.9-176.2171-168.10111.6V61 R260 A261 L262 N267 S268 V286 D287 S288 L289V61-K264 HydrophobicContact CG1-CG 3.82Å; V61-K264 HydrophobicContact CG2-CG 4.38Å; R260-K264 WeakPolarHBondContact O-CG 3.43Å; R260-K264 PolarHBondContact O-N 2.94Å; A261-K264 WeakPolarHBondContact O-CB 3.24Å; A261-K264 PolarHBondContact O-N 2.92Å; L262-K264 PolarHBondContact O-N 3.38Å; K264-N267 PolarHBondContact O-N 2.98Å; K264-S268 PolarHBondContact O-N 2.86Å; K264-V286 HydrophobicContact CB-CG1 3.69Å; K264-V286 HydrophobicContact CD-CG1 3.81Å; K264-V286 HydrophobicContact CG-CG1 4.31Å; K264-D287 PolarHBondContact NZ-O 2.8Å; K264-S288 PolarHBondContact NZ-O 3.02Å; K264-L289 HydrophobicContact CB-CD1 4.34Å
265L96.9Very high94.5Very high0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-63.8-41.3176.5-71.7171.4000112.1A240 L243 A244 V255 A261 L262 N267 S268 A269 V286 L289 F295A240-L265 HydrophobicContact CB-CB 4.39Å; L243-L265 HydrophobicContact CB-CD2 3.89Å; L243-L265 HydrophobicContact CD1-CD2 4.42Å; A244-L265 HydrophobicContact CB-CD1 3.9Å; V255-L265 HydrophobicContact CG2-CD1 3.82Å; A261-L265 WeakPolarHBondContact O-CG 3.35Å; A261-L265 PolarHBondContact O-N 3.37Å; L262-L265 PolarHBondContact O-N 3.21Å; L265-N267 VanDerWaalsContact C-N 3.35Å; L265-N267 PolarHBondContact O-N 3.04Å; L265-S268 PolarHBondContact O-N 3.46Å; L265-A269 WeakPolarHBondContact O-CB 3.24Å; L265-A269 PolarHBondContact O-N 3.43Å; L265-V286 HydrophobicContact CD2-CG2 4.29Å; L265-L289 HydrophobicContact CD1-CD1 4.26Å; L265-L289 HydrophobicContact CD1-CD2 4.35Å; L265-L289 HydrophobicContact CD2-CD1 4.17Å; L265-L289 HydrophobicContact CD2-CD2 3.8Å; L265-L289 HydrophobicContact CG-CD1 3.8Å; L265-L289 HydrophobicContact CG-CD2 4.19Å; L265-F295 HydrophobicContact CD2-CD1 3.98Å; L265-F295 HydrophobicContact CD2-CE1 4.03Å
266M95.5Very high94.6Very high47 Ų4747.8 Ų47.823%0.23226%0.258CS..Hα-helixtrans-59.8-43.9175.2-74-68.4-68.400111.7T236 Q237 A240 L262 L263 A269 D270T236-M266 HydrophobicContact CG2-CE 3.78Å; T236-M266 VanDerWaalsContact CG2-O 3.3Å; T236-M266 WeakPolarHBondContact CG2-O 3.31Å; T236-M266 HydrophobicContact CG2-SD 4.13Å; Q237-M266 HydrophobicContact CB-CE 4.34Å; Q237-M266 HydrophobicContact CB-SD 4.29Å; A240-M266 HydrophobicContact CB-CG 4.2Å; A240-M266 HydrophobicContact CB-SD 3.54Å; A240-M266 VanDerWaalsContact CB-SD 3.54Å; L262-M266 VanDerWaalsContact O-CG 3.27Å; L262-M266 WeakPolarHBondContact O-CG 3.38Å; L262-M266 PolarHBondContact O-N 3.01Å; L263-M266 PolarHBondContact O-N 3.26Å; M266-A269 PolarHBondContact O-N 3.25Å; M266-D270 WeakPolarHBondContact O-CB 3.3Å; M266-D270 PolarHBondContact O-N 3.03Å
267N94.9Very high94.8Very high33 Ų3346.1 Ų46.118%0.17625%0.246CC..Hα-helixtrans-64.2-44.1176.9-74.9-10.6000112L263 K264 L265 D270 M271L263-N267 PolarHBondContact O-N 3.44Å; K264-N267 PolarHBondContact O-N 2.98Å; L265-N267 VanDerWaalsContact C-N 3.35Å; L265-N267 PolarHBondContact O-N 3.04Å; N267-D270 PolarHBondContact O-N 2.93Å; N267-M271 WeakPolarHBondContact O-CG 3.32Å; N267-M271 PolarHBondContact O-N 3.41Å; N267-M271 VanDerWaalsContact O-N 3.14Å
268S96.7Very high95.1Very high6 Ų645.4 Ų45.44%0.04224%0.243CC..Hα-helixtrans-65.8-42.5177.5-162.70000111.9K264 L265 D270 M271 A272 F285K264-S268 PolarHBondContact O-N 2.86Å; L265-S268 PolarHBondContact O-N 3.46Å; S268-D270 PolarHBondContact O-N 3.15Å; S268-M271 PolarHBondContact O-N 3.38Å; S268-A272 WeakPolarHBondContact O-CB 3.47Å; S268-A272 PolarHBondContact O-N 3.38Å; S268-F285 PolarHBondContact OG-O 2.9Å
269A97.6Very high95.3Very high0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-62.6-39.3174.600000112.4T236 L239 A240 L243 L265 M266 A272 K273T236-A269 HydrophobicContact CG2-CB 4.01Å; L239-A269 HydrophobicContact CB-CB 4.09Å; L239-A269 HydrophobicContact CD2-CB 4.05Å; L239-A269 WeakPolarHBondContact CD2-O 3.46Å; L239-A269 HydrophobicContact CG-CB 3.88Å; A240-A269 HydrophobicContact CB-CB 4Å; L243-A269 HydrophobicContact CD1-CB 4.03Å; L265-A269 WeakPolarHBondContact O-CB 3.24Å; L265-A269 PolarHBondContact O-N 3.43Å; M266-A269 PolarHBondContact O-N 3.25Å; A269-A272 PolarHBondContact O-N 3.27Å; A269-K273 VanDerWaalsContact O-CB 3.29Å; A269-K273 WeakPolarHBondContact O-CB 3.4Å; A269-K273 PolarHBondContact O-N 2.87Å
270D95.8Very high95.7Very high26 Ų2645.8 Ų45.814%0.13925%0.252CS..Hα-helixtrans-63.1-45.8176.6-168.348.8000110.5K57 T236 M266 N267 S268 K273 H274K57-D270 IonicContact NZ-OD2 3.99Å; K57-D270 PolarHBondContact NZ-OD2 3.39Å; T236-D270 HydrophobicContact CG2-CB 3.87Å; T236-D270 PolarHBondContact OG1-OD1 3.31Å; M266-D270 WeakPolarHBondContact O-CB 3.3Å; M266-D270 PolarHBondContact O-N 3.03Å; N267-D270 PolarHBondContact O-N 2.93Å; S268-D270 PolarHBondContact O-N 3.15Å; D270-K273 PolarHBondContact O-N 3.33Å; D270-K273 WeakPolarHBondContact OD1-CE 3.47Å; D270-K273 IonicContact OD1-NZ 3.06Å; D270-K273 PolarHBondContact OD1-NZ 2.9Å; D270-H274 PolarHBondContact O-N 3.14Å; D270-H274 VanDerWaalsContact O-N 3.15Å; D270-H274 PolarHBondContact O-ND1 3.16Å; D270-H274 IonicContact OD1-CE1 2.72Å; D270-H274 PolarHBondContact OD1-CE1 3.4Å; D270-H274 IonicContact OD1-ND1 3.72Å; D270-H274 IonicContact OD2-CE1 3.67Å
271M95Very high95.9Very high118 Ų11842.6 Ų42.658%0.58125%0.251SS*.Hα-helixtrans-60.3-48.1174.9-68.6-174.6-66.800111.8N267 S268 K273 H274 S275N267-M271 WeakPolarHBondContact O-CG 3.32Å; N267-M271 PolarHBondContact O-N 3.41Å; N267-M271 VanDerWaalsContact O-N 3.14Å; S268-M271 PolarHBondContact O-N 3.38Å; M271-K273 PolarHBondContact O-N 3.26Å; M271-H274 PolarHBondContact O-N 2.7Å; M271-H274 VanDerWaalsContact O-N 3.16Å; M271-S275 PolarHBondContact O-N 2.83Å; M271-S275 PolarHBondContact O-OG 3.2Å
272A97.4Very high96.1Very high3 Ų342.9 Ų42.93%0.02525%0.253CS..Hα-helixtrans-61.1-41.8178.900000112.4L239 S268 A269 H274 S275 L276 A282 C284L239-A272 HydrophobicContact CD2-CB 4.1Å; S268-A272 WeakPolarHBondContact O-CB 3.47Å; S268-A272 PolarHBondContact O-N 3.38Å; A269-A272 PolarHBondContact O-N 3.27Å; A272-H274 VanDerWaalsContact C-N 3.32Å; A272-H274 PolarHBondContact O-N 2.83Å; A272-S275 PolarHBondContact O-N 3.34Å; A272-L276 WeakPolarHBondContact O-CB 3.45Å; A272-L276 WeakPolarHBondContact O-CG 3.26Å; A272-L276 PolarHBondContact O-N 3.1Å; A272-A282 HydrophobicContact CB-CB 4.05Å; A272-C284 WeakPolarHBondContact CB-SG 3.38Å
273K97.2Very high96.2Very high15 Ų1544.9 Ų44.97%0.06526%0.264CS..Hα-helixtrans-57.8-42.6174.6178.3-164.269.6-168.30111.9G232 F235 T236 L239 A269 D270 M271 L276 S277 F304G232-K273 PolarHBondContact O-NZ 2.62Å; G232-K273 VanDerWaalsContact O-NZ 3.15Å; F235-K273 HydrophobicContact CB-CD 4.11Å; T236-K273 PolarHBondContact OG1-NZ 3.25Å; L239-K273 HydrophobicContact CD2-CB 4.49Å; A269-K273 VanDerWaalsContact O-CB 3.29Å; A269-K273 WeakPolarHBondContact O-CB 3.4Å; A269-K273 PolarHBondContact O-N 2.87Å; D270-K273 PolarHBondContact O-N 3.33Å; D270-K273 WeakPolarHBondContact OD1-CE 3.47Å; D270-K273 IonicContact OD1-NZ 3.06Å; D270-K273 PolarHBondContact OD1-NZ 2.9Å; M271-K273 PolarHBondContact O-N 3.26Å; K273-L276 PolarHBondContact O-N 3.47Å; K273-S277 PolarHBondContact O-N 3.17Å; K273-S277 PolarHBondContact O-OG 2.91Å; K273-F304 HydrophobicContact CG-CE2 4.25Å; K273-F304 HydrophobicContact CG-CZ 3.95Å
274H95.3Very high96.3Very high96 Ų9643 Ų4344%0.44425%0.254SS..Hα-helixtrans-63.8-47.7175.3-71.883.2000110.8D270 M271 A272 L276 S277D270-H274 PolarHBondContact O-N 3.14Å; D270-H274 VanDerWaalsContact O-N 3.15Å; D270-H274 PolarHBondContact O-ND1 3.16Å; D270-H274 IonicContact OD1-CE1 2.72Å; D270-H274 PolarHBondContact OD1-CE1 3.4Å; D270-H274 IonicContact OD1-ND1 3.72Å; D270-H274 IonicContact OD2-CE1 3.67Å; M271-H274 PolarHBondContact O-N 2.7Å; M271-H274 VanDerWaalsContact O-N 3.16Å; A272-H274 VanDerWaalsContact C-N 3.32Å; A272-H274 PolarHBondContact O-N 2.83Å; H274-L276 VanDerWaalsContact C-N 3.32Å; H274-L276 PolarHBondContact O-N 2.84Å; H274-S277 WeakPolarHBondContact O-CB 3.41Å; H274-S277 PolarHBondContact O-N 3.07Å; H274-S277 VanDerWaalsContact O-N 3.1Å
275S96.9Very high96.3Very high52 Ų5246.5 Ų46.536%0.36427%0.269SS..Hα-helixtrans-58.3-41.9176.6-59.10000112.7M271 A272 S277 S278 L279M271-S275 PolarHBondContact O-N 2.83Å; M271-S275 PolarHBondContact O-OG 3.2Å; A272-S275 PolarHBondContact O-N 3.34Å; S275-S277 PolarHBondContact O-N 3.05Å; S275-S278 PolarHBondContact O-N 3.35Å; S275-S278 VanDerWaalsContact O-N 3.07Å; S275-L279 WeakPolarHBondContact O-CB 3.41Å; S275-L279 PolarHBondContact O-N 2.87Å
276L97.8Very high96.2Very high2 Ų246.9 Ų46.91%0.0127%0.272CS..Hα-helixtrans-66.3-16.6179.4-71.9174.6000113.7A272 K273 H274 S278 A282 V299 R301 F304A272-L276 WeakPolarHBondContact O-CB 3.45Å; A272-L276 WeakPolarHBondContact O-CG 3.26Å; A272-L276 PolarHBondContact O-N 3.1Å; K273-L276 PolarHBondContact O-N 3.47Å; H274-L276 VanDerWaalsContact C-N 3.32Å; H274-L276 PolarHBondContact O-N 2.84Å; L276-S278 PolarHBondContact O-N 3.36Å; L276-A282 HydrophobicContact CD2-CB 3.94Å; L276-A282 HydrophobicContact CG-CB 3.86Å; L276-V299 HydrophobicContact CD1-CG1 4.3Å; L276-R301 HydrophobicContact CD2-CB 4.17Å; L276-R301 PolarHBondContact O-NE 3.2Å; L276-R301 PolarHBondContact O-NH2 3.01Å; L276-F304 HydrophobicContact CD1-CB 3.67Å; L276-F304 HydrophobicContact CD1-CD1 4.44Å; L276-F304 HydrophobicContact CD1-CG 3.97Å
277S95.1Very high96.2Very high24 Ų2449.5 Ų49.517%0.16829%0.287CS..Hα-helixtrans-70.5-23.1173.5-58.40000112.3K273 H274 S275 P346K273-S277 PolarHBondContact O-N 3.17Å; K273-S277 PolarHBondContact O-OG 2.91Å; H274-S277 WeakPolarHBondContact O-CB 3.41Å; H274-S277 PolarHBondContact O-N 3.07Å; H274-S277 VanDerWaalsContact O-N 3.1Å; S275-S277 PolarHBondContact O-N 3.05Å; S277-P346 VanDerWaalsContact O-CG 3.32Å; S277-P346 WeakPolarHBondContact O-CG 3.37Å
278S93.9Very high96.2Very high101 Ų10150.2 Ų50.271%0.70629%0.294SS*.Hα-helixtrans-114.3-36.3178.6-55.80000112.8S275 L276 R301S275-S278 PolarHBondContact O-N 3.35Å; S275-S278 VanDerWaalsContact O-N 3.07Å; L276-S278 PolarHBondContact O-N 3.36Å; S278-R301 PolarHBondContact O-NH2 2.88Å
279L96.9Very high96.1Very high103 Ų10350.2 Ų50.254%0.53929%0.294SS..SBendtrans-102.8154.5-175.1-54.6179.2000112.4S275 S281 R301S275-L279 WeakPolarHBondContact O-CB 3.41Å; S275-L279 PolarHBondContact O-N 2.87Å; L279-S281 VanDerWaalsContact C-N 3.3Å; L279-S281 WeakPolarHBondContact CB-O 3.48Å; L279-R301 PolarHBondContact O-NE 3.37Å; L279-R301 PolarHBondContact O-NH2 2.88Å
280G97.4Very high96Very high54 Ų5451.9 Ų51.956%0.55730%0.302SS*.SBendtrans-75.9-14.9176.700000114.4R301G280-R301 PolarHBondContact O-N 2.94Å
281S97.4Very high95.7Very high68 Ų6857.3 Ų57.348%0.47633%0.331SS..EExtended strand (participates in β ladder)trans-151.8159.1176.463.30000110.9L279 V299L279-S281 VanDerWaalsContact C-N 3.3Å; L279-S281 WeakPolarHBondContact CB-O 3.48Å; S281-V299 CarbonylContact C-O 3.58Å; S281-V299 VanDerWaalsContact CA-O 3.28Å; S281-V299 WeakPolarHBondContact CA-O 3.36Å
282A97.8Very high95.6Very high8 Ų854.2 Ų54.27%0.06633%0.329CS..EExtended strand (participates in β ladder)trans-144.5144.8175.700000110.2A272 L276 V299A272-A282 HydrophobicContact CB-CB 4.05Å; L276-A282 HydrophobicContact CD2-CB 3.94Å; L276-A282 HydrophobicContact CG-CB 3.86Å; A282-V299 PolarHBondContact N-O 3.27Å; A282-V299 PolarHBondContact O-N 3.35Å
283N95.5Very high95.5Very high106 Ų10656.4 Ų56.457%0.56734%0.342SS*.EExtended strand (participates in β ladder)trans-98.3126.7175.5-67.9-10.4000109.7A298N283-A298 VanDerWaalsContact OD1-CB 3.31Å; N283-A298 WeakPolarHBondContact OD1-CB 3.39Å
284C95.9Very high95.4Very high0 Ų059.6 Ų59.60%036%0.36CS..EExtended strand (participates in β ladder)trans-94.4112.6170.5-58.40000107.7L243 A272 E296 C297L243-C284 HydrophobicContact CD1-CB 3.95Å; L243-C284 HydrophobicContact CD2-CB 3.9Å; A272-C284 WeakPolarHBondContact CB-SG 3.38Å; C284-E296 CarbonylContact O-C 3.55Å; C284-E296 WeakPolarHBondContact O-CA 3.5Å; C284-C297 WeakPolarHBondContact CB-O 3.49Å; C284-C297 PolarHBondContact N-O 3.39Å; C284-C297 PolarHBondContact O-N 2.94Å
285F95.3Very high95.5Very high114 Ų11455.1 Ų55.150%0.534%0.339SS..EExtended strand (participates in β ladder)trans-111.7134.7171.8-178.6-101.3000109.6S268 D287 D294 F295 E296S268-F285 PolarHBondContact OG-O 2.9Å; F285-D287 HydrophobicContact CE1-CB 4.11Å; F285-D294 HydrophobicContact CE2-CB 4.37Å; F285-F295 CarbonylContact C-O 3.47Å; F285-F295 WeakPolarHBondContact CA-O 3.39Å; F285-E296 HydrophobicContact CD2-CB 4.27Å
286V95.6Very high95.5Very high9 Ų959 Ų596%0.05535%0.351CS..EExtended strand (participates in β ladder)trans-139109.9175.6-174.80000109.6K264 L265 L289 F295K264-V286 HydrophobicContact CB-CG1 3.69Å; K264-V286 HydrophobicContact CD-CG1 3.81Å; K264-V286 HydrophobicContact CG-CG1 4.31Å; L265-V286 HydrophobicContact CD2-CG2 4.29Å; V286-L289 HydrophobicContact CB-CB 4.42Å; V286-L289 HydrophobicContact CG1-CB 3.99Å; V286-L289 HydrophobicContact CG1-CD1 3.92Å; V286-L289 HydrophobicContact CG1-CG 4.44Å; V286-F295 HydrophobicContact CB-CB 4.41Å; V286-F295 PolarHBondContact N-O 2.7Å; V286-F295 PolarHBondContact O-N 3.45Å
287D94.4Very high95.5Very high101 Ų10159.8 Ų59.854%0.5436%0.356SS..EExtended strand (participates in β ladder)trans-65.6132.7173.11766.9000111K264 F285 L289 D294K264-D287 PolarHBondContact NZ-O 2.8Å; F285-D287 HydrophobicContact CE1-CB 4.11Å; D287-L289 VanDerWaalsContact C-N 3.35Å; D287-L289 PolarHBondContact O-N 2.97Å; D287-D294 WeakPolarHBondContact CA-OD1 3.47Å
288S94.7Very high95.6Very high48 Ų4862.1 Ų62.134%0.33638%0.378SS..EExtended strand (participates in β ladder)trans4755.9171.8-157.90000111.7K264 G292 V293 D294K264-S288 PolarHBondContact NZ-O 3.02Å; S288-G292 WeakPolarHBondContact OG-CA 3.02Å; S288-V293 CarbonylContact C-O 3.54Å; S288-V293 WeakPolarHBondContact CA-O 3.47Å; S288-D294 PolarHBondContact N-OD1 2.85Å
289L95.2Very high95.8Very high6 Ų657.5 Ų57.53%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-66.1-41.2-176177.159.7000111.2F247 A261 K264 L265 V286 D287 V293 F295F247-L289 HydrophobicContact CB-CD2 4.4Å; F247-L289 HydrophobicContact CD2-CD2 3.55Å; F247-L289 HydrophobicContact CD2-CG 4.48Å; F247-L289 HydrophobicContact CE2-CB 4.45Å; F247-L289 HydrophobicContact CE2-CD2 3.93Å; F247-L289 HydrophobicContact CE2-CG 4.42Å; F247-L289 HydrophobicContact CG-CD2 3.94Å; A261-L289 HydrophobicContact CB-CD1 3.76Å; A261-L289 WeakPolarHBondContact CB-O 3.49Å; A261-L289 WeakPolarHBondContact O-CD1 3.39Å; K264-L289 HydrophobicContact CB-CD1 4.34Å; L265-L289 HydrophobicContact CD1-CD1 4.26Å; L265-L289 HydrophobicContact CD1-CD2 4.35Å; L265-L289 HydrophobicContact CD2-CD1 4.17Å; L265-L289 HydrophobicContact CD2-CD2 3.8Å; L265-L289 HydrophobicContact CG-CD1 3.8Å; L265-L289 HydrophobicContact CG-CD2 4.19Å; V286-L289 HydrophobicContact CB-CB 4.42Å; V286-L289 HydrophobicContact CG1-CB 3.99Å; V286-L289 HydrophobicContact CG1-CD1 3.92Å; V286-L289 HydrophobicContact CG1-CG 4.44Å; D287-L289 VanDerWaalsContact C-N 3.35Å; D287-L289 PolarHBondContact O-N 2.97Å; L289-V293 PolarHBondContact N-O 3.34Å; L289-F295 HydrophobicContact CB-CB 4.1Å; L289-F295 HydrophobicContact CD2-CB 3.61Å; L289-F295 HydrophobicContact CD2-CD1 3.86Å; L289-F295 HydrophobicContact CD2-CG 3.82Å
290H94.4Very high95.8Very high36 Ų3655 Ų5517%0.16734%0.336CS..EExtended strand (participates in β ladder)trans-149.3126.6177.7-178.353.3000110.1F247 H253 V255 G292 V293F247-H290 HydrophobicContact CE1-CB 4.04Å; F247-H290 HydrophobicContact CZ-CB 3.77Å; H253-H290 AromaticContact CG-CD2 3.86Å; H253-H290 AromaticContact CG-NE2 3.83Å; H253-H290 AromaticContact ND1-NE2 3.69Å; V255-H290 HydrophobicContact CG1-CB 3.76Å; H290-G292 VanDerWaalsContact C-N 3.26Å; H290-G292 PolarHBondContact O-N 3.19Å; H290-G292 VanDerWaalsContact O-N 3.11Å; H290-V293 WeakPolarHBondContact O-CB 3.21Å; H290-V293 WeakPolarHBondContact O-CG2 3.41Å; H290-V293 PolarHBondContact O-N 2.92Å
291D91.1Very high95.9Very high140 Ų14055.5 Ų55.575%0.74932%0.321SS*.THydrogen-bonded Turntrans47.741.9174-61.3-4.5000115.1V293D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 3.37Å
292G92.4Very high95.9Very high53 Ų5355.6 Ų55.655%0.54633%0.326SS..THydrogen-bonded Turntrans84.8-5.8-179.600000114.9S288 H290S288-G292 WeakPolarHBondContact OG-CA 3.02Å; H290-G292 VanDerWaalsContact C-N 3.26Å; H290-G292 PolarHBondContact O-N 3.19Å; H290-G292 VanDerWaalsContact O-N 3.11Å
293V94.3Very high95.9Very high48 Ų4860 Ų6029%0.29134%0.341SS..EExtended strand (participates in β ladder)trans-80.4121.4-178.5-179.10000110.9F247 F251 S288 L289 H290 D291F247-V293 HydrophobicContact CE2-CG1 4Å; F247-V293 HydrophobicContact CZ-CB 4.49Å; F247-V293 HydrophobicContact CZ-CG1 4.29Å; F251-V293 HydrophobicContact CD1-CG1 3.58Å; F251-V293 HydrophobicContact CD2-CG1 4.47Å; F251-V293 HydrophobicContact CE1-CG1 3.37Å; F251-V293 HydrophobicContact CE2-CG1 4.32Å; F251-V293 HydrophobicContact CG-CG1 4.13Å; F251-V293 HydrophobicContact CZ-CG1 3.77Å; S288-V293 CarbonylContact C-O 3.54Å; S288-V293 WeakPolarHBondContact CA-O 3.47Å; L289-V293 PolarHBondContact N-O 3.34Å; H290-V293 WeakPolarHBondContact O-CB 3.21Å; H290-V293 WeakPolarHBondContact O-CG2 3.41Å; H290-V293 PolarHBondContact O-N 2.92Å; D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 3.37Å
294D96.3Very high96.1Very high82 Ų8255.1 Ų55.144%0.43932%0.315SS..EExtended strand (participates in β ladder)trans-75.4144169-64.7-21000110.9F285 D287 S288F285-D294 HydrophobicContact CE2-CB 4.37Å; D287-D294 WeakPolarHBondContact CA-OD1 3.47Å; S288-D294 PolarHBondContact N-OD1 2.85Å
295F97.4Very high96.2Very high3 Ų357.3 Ų57.31%0.01333%0.325CS..EExtended strand (participates in β ladder)trans-120.9127.1178.9178.4-119000111.2L243 E246 F247 F251 L265 F285 V286 L289 C297L243-F295 HydrophobicContact CB-CE1 3.99Å; L243-F295 HydrophobicContact CB-CZ 4.46Å; L243-F295 HydrophobicContact CD2-CE1 4.14Å; L243-F295 HydrophobicContact CD2-CZ 4.47Å; L243-F295 WeakPolarHBondContact O-CZ 3.37Å; E246-F295 HydrophobicContact CB-CE2 4.46Å; E246-F295 HydrophobicContact CB-CZ 4.11Å; F247-F295 HydrophobicContact CB-CD2 4.17Å; F247-F295 HydrophobicContact CB-CE2 3.95Å; F247-F295 HydrophobicContact CB-CZ 4.26Å; F247-F295 HydrophobicContact CD2-CB 3.97Å; F247-F295 AromaticContact CD2-CD2 3.57Å; F247-F295 HydrophobicContact CD2-CD2 3.57Å; F247-F295 HydrophobicContact CD2-CE2 4.19Å; F247-F295 AromaticContact CD2-CG 3.85Å; F247-F295 HydrophobicContact CD2-CG 3.85Å; F247-F295 HydrophobicContact CE2-CB 4.29Å; F247-F295 HydrophobicContact CE2-CD2 4.48Å; F247-F295 HydrophobicContact CG-CD2 4.37Å; F251-F295 HydrophobicContact CE2-CD2 4Å; L265-F295 HydrophobicContact CD2-CD1 3.98Å; L265-F295 HydrophobicContact CD2-CE1 4.03Å; F285-F295 CarbonylContact C-O 3.47Å; F285-F295 WeakPolarHBondContact CA-O 3.39Å; V286-F295 HydrophobicContact CB-CB 4.41Å; V286-F295 PolarHBondContact N-O 2.7Å; V286-F295 PolarHBondContact O-N 3.45Å; L289-F295 HydrophobicContact CB-CB 4.1Å; L289-F295 HydrophobicContact CD2-CB 3.61Å; L289-F295 HydrophobicContact CD2-CD1 3.86Å; L289-F295 HydrophobicContact CD2-CG 3.82Å; F295-C297 HydrophobicContact CE1-CB 3.88Å; F295-C297 HydrophobicContact CE2-CB 4.1Å; F295-C297 HydrophobicContact CZ-CB 3.5Å; F295-C297 VanDerWaalsContact CZ-CB 3.5Å
296E96.8Very high96.3Very high134 Ų13457 Ų5763%0.62633%0.328SS*.EExtended strand (participates in β ladder)trans-127.3133.6172-170.6177.5-179.700109.9C284 F285C284-E296 CarbonylContact O-C 3.55Å; C284-E296 WeakPolarHBondContact O-CA 3.5Å; F285-E296 HydrophobicContact CD2-CB 4.27Å
297C97Very high96.4Very high17 Ų1759 Ų5912%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-148.6120.7176.9-176.90000110.8L243 C284 F295L243-C297 HydrophobicContact CD2-CB 3.88Å; C284-C297 WeakPolarHBondContact CB-O 3.49Å; C284-C297 PolarHBondContact N-O 3.39Å; C284-C297 PolarHBondContact O-N 2.94Å; F295-C297 HydrophobicContact CE1-CB 3.88Å; F295-C297 HydrophobicContact CE2-CB 4.1Å; F295-C297 HydrophobicContact CZ-CB 3.5Å; F295-C297 VanDerWaalsContact CZ-CB 3.5Å
298A97.1Very high96.6Very high74 Ų7454.2 Ų54.261%0.61231%0.312SS*.EExtended strand (participates in β ladder)trans-82.1130.9171.300000110.4N283N283-A298 VanDerWaalsContact OD1-CB 3.31Å; N283-A298 WeakPolarHBondContact OD1-CB 3.39Å
299V97.9Very high96.7Very high3 Ų354.4 Ų54.42%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-122.8128.7179.3-176.80000109.2L239 L243 L276 S281 A282 R303L239-V299 HydrophobicContact CD1-CG1 3.93Å; L239-V299 HydrophobicContact CD1-CG2 4.19Å; L243-V299 HydrophobicContact CD2-CG2 3.99Å; L276-V299 HydrophobicContact CD1-CG1 4.3Å; S281-V299 CarbonylContact C-O 3.58Å; S281-V299 VanDerWaalsContact CA-O 3.28Å; S281-V299 WeakPolarHBondContact CA-O 3.36Å; A282-V299 PolarHBondContact N-O 3.27Å; A282-V299 PolarHBondContact O-N 3.35Å; V299-R303 HydrophobicContact CG1-CB 4.4Å; V299-R303 HydrophobicContact CG1-CG 4.46Å
300S98.3Very high96.8Very high51 Ų5159 Ų5936%0.35734%0.342SS..EExtended strand (participates in β ladder)trans-85.8154.7173.670.70000111.7A302 R303 F304S300-A302 VanDerWaalsContact C-N 3.29Å; S300-A302 PolarHBondContact O-N 3.06Å; S300-R303 WeakPolarHBondContact O-CB 3.46Å; S300-R303 PolarHBondContact O-N 3.25Å; S300-R303 VanDerWaalsContact O-N 3.12Å; S300-R303 WeakPolarHBondContact OG-CB 3.29Å; S300-R303 PolarHBondContact OG-N 3.48Å; S300-F304 PolarHBondContact O-N 2.92Å
301R98.3Very high97Very high65 Ų6558.9 Ų58.925%0.24534%0.342CS..Hα-helixtrans-57.2-43.9174.2-175.6-174.3-64.3168.9-0.1111.2L276 S278 L279 G280 R303 F304 E305L276-R301 HydrophobicContact CD2-CB 4.17Å; L276-R301 PolarHBondContact O-NE 3.2Å; L276-R301 PolarHBondContact O-NH2 3.01Å; S278-R301 PolarHBondContact O-NH2 2.88Å; L279-R301 PolarHBondContact O-NE 3.37Å; L279-R301 PolarHBondContact O-NH2 2.88Å; G280-R301 PolarHBondContact O-N 2.94Å; R301-R303 VanDerWaalsContact C-N 3.28Å; R301-R303 PolarHBondContact O-N 3.3Å; R301-F304 WeakPolarHBondContact O-CB 3.34Å; R301-F304 PolarHBondContact O-N 3.29Å; R301-E305 WeakPolarHBondContact CD-OE1 3.41Å; R301-E305 HydrophobicContact CG-CG 4.25Å; R301-E305 WeakPolarHBondContact CG-OE1 3.21Å; R301-E305 WeakPolarHBondContact O-CB 3.39Å; R301-E305 WeakPolarHBondContact O-CG 3.49Å; R301-E305 PolarHBondContact O-N 3.39Å
302A98.1Very high97.3Very high69 Ų6952.3 Ų52.357%0.5731%0.307SS*.Hα-helixtrans-59-38.7177.300000112.4S300 E305 L306S300-A302 VanDerWaalsContact C-N 3.29Å; S300-A302 PolarHBondContact O-N 3.06Å; A302-E305 PolarHBondContact O-N 3.19Å; A302-L306 WeakPolarHBondContact O-CB 3.33Å; A302-L306 PolarHBondContact O-N 3.17Å
303R98.3Very high97.5Very high101 Ų10153.9 Ų53.938%0.38130%0.303SS..Hα-helixtrans-67.2-46.1175.9-178.158.1174.8-179.22111.4V299 S300 R301 E305 L306 L307V299-R303 HydrophobicContact CG1-CB 4.4Å; V299-R303 HydrophobicContact CG1-CG 4.46Å; S300-R303 WeakPolarHBondContact O-CB 3.46Å; S300-R303 PolarHBondContact O-N 3.25Å; S300-R303 VanDerWaalsContact O-N 3.12Å; S300-R303 WeakPolarHBondContact OG-CB 3.29Å; S300-R303 PolarHBondContact OG-N 3.48Å; R301-R303 VanDerWaalsContact C-N 3.28Å; R301-R303 PolarHBondContact O-N 3.3Å; R303-E305 VanDerWaalsContact C-N 3.3Å; R303-E305 PolarHBondContact O-N 2.92Å; R303-L306 PolarHBondContact O-N 2.7Å; R303-L307 HydrophobicContact CG-CD1 4.18Å; R303-L307 VanDerWaalsContact O-CG 3.25Å; R303-L307 WeakPolarHBondContact O-CG 3.28Å; R303-L307 PolarHBondContact O-N 3.08Å
304F98.4Very high97.6Very high4 Ų455 Ų552%0.01830%0.304CS..Hα-helixtrans-57.7-44.4174.8169-107.2000111.8F235 L239 K273 L276 S300 R301 L306 L307 C308 F312 I345F235-F304 HydrophobicContact CB-CE2 4.19Å; F235-F304 HydrophobicContact CB-CZ 4.06Å; F235-F304 HydrophobicContact CD1-CZ 4.45Å; L239-F304 HydrophobicContact CB-CD2 4.42Å; L239-F304 HydrophobicContact CD2-CD2 4.28Å; K273-F304 HydrophobicContact CG-CE2 4.25Å; K273-F304 HydrophobicContact CG-CZ 3.95Å; L276-F304 HydrophobicContact CD1-CB 3.67Å; L276-F304 HydrophobicContact CD1-CD1 4.44Å; L276-F304 HydrophobicContact CD1-CG 3.97Å; S300-F304 PolarHBondContact O-N 2.92Å; R301-F304 WeakPolarHBondContact O-CB 3.34Å; R301-F304 PolarHBondContact O-N 3.29Å; F304-L306 VanDerWaalsContact C-N 3.35Å; F304-L306 PolarHBondContact O-N 3.41Å; F304-L307 PolarHBondContact O-N 3.09Å; F304-C308 WeakPolarHBondContact CE2-SG 3.38Å; F304-C308 WeakPolarHBondContact O-CB 3.45Å; F304-C308 PolarHBondContact O-N 2.93Å; F304-C308 PolarHBondContact O-SG 2.96Å; F304-C308 VanDerWaalsContact O-SG 3.35Å; F304-F312 HydrophobicContact CE1-CZ 4.1Å; F304-I345 HydrophobicContact CE1-CD1 4.46Å; F304-I345 HydrophobicContact CE1-CG2 4.18Å; F304-I345 HydrophobicContact CZ-CD1 4.32Å
305E98.1Very high97.7Very high46 Ų4651.1 Ų51.122%0.21528%0.283CS..Hα-helixtrans-65.4-39-179.6-72.7175.2-176.100112.4R301 A302 R303 C308 S309 F312 R347R301-E305 WeakPolarHBondContact CD-OE1 3.41Å; R301-E305 HydrophobicContact CG-CG 4.25Å; R301-E305 WeakPolarHBondContact CG-OE1 3.21Å; R301-E305 WeakPolarHBondContact O-CB 3.39Å; R301-E305 WeakPolarHBondContact O-CG 3.49Å; R301-E305 PolarHBondContact O-N 3.39Å; A302-E305 PolarHBondContact O-N 3.19Å; R303-E305 VanDerWaalsContact C-N 3.3Å; R303-E305 PolarHBondContact O-N 2.92Å; E305-C308 CarbonylContact O-C 3.52Å; E305-C308 PolarHBondContact O-N 3.04Å; E305-S309 PolarHBondContact O-N 3.45Å; E305-F312 HydrophobicContact CB-CE2 4.06Å; E305-F312 HydrophobicContact CG-CE2 4.09Å; E305-F312 HydrophobicContact CG-CZ 4.41Å; E305-R347 HydrophobicContact CG-CB 3.89Å; E305-R347 HydrophobicContact CG-CG 4.27Å
306L98.1Very high97.6Very high108 Ų10852.1 Ų52.157%0.56529%0.288SS*.Hα-helixtrans-61.8-47.1174.1179.664.4000111.7A302 R303 F304 C308 S309A302-L306 WeakPolarHBondContact O-CB 3.33Å; A302-L306 PolarHBondContact O-N 3.17Å; R303-L306 PolarHBondContact O-N 2.7Å; F304-L306 VanDerWaalsContact C-N 3.35Å; F304-L306 PolarHBondContact O-N 3.41Å; L306-C308 PolarHBondContact O-N 3.49Å; L306-S309 WeakPolarHBondContact O-CB 3.45Å; L306-S309 PolarHBondContact O-N 2.66Å; L306-S309 PolarHBondContact O-OG 3.12Å
307L98Very high97.5Very high50 Ų5051.4 Ų51.426%0.26229%0.285SS..Hα-helixtrans-60.1-33.9178.2-69.2167000112.1H242 R303 F304H242-L307 HydrophobicContact CB-CD1 3.66Å; H242-L307 HydrophobicContact CB-CD2 4.19Å; R303-L307 HydrophobicContact CG-CD1 4.18Å; R303-L307 VanDerWaalsContact O-CG 3.25Å; R303-L307 WeakPolarHBondContact O-CG 3.28Å; R303-L307 PolarHBondContact O-N 3.08Å; F304-L307 PolarHBondContact O-N 3.09Å
308C98.2Very high97.5Very high0 Ų051.6 Ų51.60%029%0.286CS..THydrogen-bonded Turntrans-99.27.7-175.9-61.50000114F235 F304 E305 L306 T310 L311 F312F235-C308 HydrophobicContact CD1-CB 3.76Å; F235-C308 HydrophobicContact CE1-CB 4.17Å; F304-C308 WeakPolarHBondContact CE2-SG 3.38Å; F304-C308 WeakPolarHBondContact O-CB 3.45Å; F304-C308 PolarHBondContact O-N 2.93Å; F304-C308 PolarHBondContact O-SG 2.96Å; F304-C308 VanDerWaalsContact O-SG 3.35Å; E305-C308 CarbonylContact O-C 3.52Å; E305-C308 PolarHBondContact O-N 3.04Å; L306-C308 PolarHBondContact O-N 3.49Å; C308-T310 VanDerWaalsContact C-N 3.31Å; C308-T310 PolarHBondContact O-N 3.12Å; C308-L311 WeakPolarHBondContact O-CA 3.41Å; C308-L311 WeakPolarHBondContact O-CB 3.4Å; C308-L311 PolarHBondContact O-N 2.74Å; C308-F312 HydrophobicContact CB-CD2 4.2Å; C308-F312 HydrophobicContact CB-CE1 4.12Å; C308-F312 HydrophobicContact CB-CE2 3.74Å; C308-F312 HydrophobicContact CB-CZ 3.68Å; C308-F312 WeakPolarHBondContact O-CD2 3.06Å; C308-F312 WeakPolarHBondContact O-CG 3.41Å; C308-F312 PolarHBondContact O-N 3Å
309S97.6Very high97.5Very high52 Ų5248 Ų4836%0.36426%0.257SS..Hα-helixtrans-52.8-44.8-174.6540000113.5E305 L306 F312 N313E305-S309 PolarHBondContact O-N 3.45Å; L306-S309 WeakPolarHBondContact O-CB 3.45Å; L306-S309 PolarHBondContact O-N 2.66Å; L306-S309 PolarHBondContact O-OG 3.12Å; S309-F312 PolarHBondContact O-N 3.04Å; S309-N313 PolarHBondContact O-N 2.62Å; S309-N313 PolarHBondContact O-ND2 2.98Å
310T97.3Very high97.4Very high102 Ų10255.3 Ų55.363%0.62628%0.284SS*.Hα-helixtrans-66.2-38.9176.654.40000112.4C308 N313 K314C308-T310 VanDerWaalsContact C-N 3.31Å; C308-T310 PolarHBondContact O-N 3.12Å; T310-N313 PolarHBondContact O-N 2.81Å; T310-K314 WeakPolarHBondContact O-CB 3.36Å; T310-K314 PolarHBondContact O-N 2.86Å
311L97.9Very high97.2Very high34 Ų3455.4 Ų55.418%0.17829%0.285CS..Hα-helixtrans-66.7-41177.2-63.1176.6000111.5I230 F235 A238 C308 K314 S315I230-L311 HydrophobicContact CD1-CB 4.43Å; I230-L311 VanDerWaalsContact CD1-O 3.24Å; I230-L311 WeakPolarHBondContact CD1-O 3.49Å; F235-L311 HydrophobicContact CD1-CB 4.04Å; F235-L311 HydrophobicContact CD1-CD1 3.9Å; F235-L311 HydrophobicContact CE1-CB 3.45Å; F235-L311 VanDerWaalsContact CE1-CB 3.45Å; F235-L311 HydrophobicContact CE1-CD1 4.17Å; F235-L311 HydrophobicContact CE1-CG 4.47Å; F235-L311 HydrophobicContact CG-CD1 4.38Å; F235-L311 HydrophobicContact CZ-CB 3.98Å; A238-L311 HydrophobicContact CB-CD1 4.18Å; C308-L311 WeakPolarHBondContact O-CA 3.41Å; C308-L311 WeakPolarHBondContact O-CB 3.4Å; C308-L311 PolarHBondContact O-N 2.74Å; L311-K314 PolarHBondContact O-N 2.93Å; L311-S315 WeakPolarHBondContact O-CB 3.48Å; L311-S315 PolarHBondContact O-N 3.34Å; L311-S315 PolarHBondContact O-OG 2.58Å
312F98Very high97.1Very high3 Ų352.3 Ų52.31%0.01327%0.273CS..Hα-helixtrans-62.5-46.7176.4-62.6-41.5000111.9F235 F304 E305 C308 S309 K314 S315 I316 I345 R347 L348 M351F235-F312 HydrophobicContact CD1-CD1 4.29Å; F235-F312 AromaticContact CD1-CE1 3.84Å; F235-F312 HydrophobicContact CD1-CE1 3.84Å; F235-F312 AromaticContact CE1-CD1 3.41Å; F235-F312 HydrophobicContact CE1-CD1 3.41Å; F235-F312 VanDerWaalsContact CE1-CD1 3.41Å; F235-F312 AromaticContact CE1-CE1 3.39Å; F235-F312 HydrophobicContact CE1-CE1 3.39Å; F235-F312 HydrophobicContact CE1-CG 4.39Å; F235-F312 HydrophobicContact CE1-CZ 4.39Å; F235-F312 HydrophobicContact CZ-CD1 4.04Å; F235-F312 HydrophobicContact CZ-CE1 4.22Å; F304-F312 HydrophobicContact CE1-CZ 4.1Å; E305-F312 HydrophobicContact CB-CE2 4.06Å; E305-F312 HydrophobicContact CG-CE2 4.09Å; E305-F312 HydrophobicContact CG-CZ 4.41Å; C308-F312 HydrophobicContact CB-CD2 4.2Å; C308-F312 HydrophobicContact CB-CE1 4.12Å; C308-F312 HydrophobicContact CB-CE2 3.74Å; C308-F312 HydrophobicContact CB-CZ 3.68Å; C308-F312 WeakPolarHBondContact O-CD2 3.06Å; C308-F312 WeakPolarHBondContact O-CG 3.41Å; C308-F312 PolarHBondContact O-N 3Å; S309-F312 PolarHBondContact O-N 3.04Å; F312-K314 VanDerWaalsContact C-N 3.32Å; F312-K314 PolarHBondContact O-N 2.92Å; F312-S315 WeakPolarHBondContact CA-OG 3.35Å; F312-S315 PolarHBondContact O-N 2.97Å; F312-S315 VanDerWaalsContact O-N 3.1Å; F312-S315 PolarHBondContact O-OG 2.95Å; F312-I316 PolarHBondContact O-N 3.48Å; F312-I345 HydrophobicContact CE1-CD1 4.36Å; F312-I345 HydrophobicContact CE1-CG2 3.78Å; F312-I345 HydrophobicContact CZ-CG2 3.88Å; F312-R347 HydrophobicContact CD2-CB 4.39Å; F312-R347 HydrophobicContact CD2-CG 3.75Å; F312-R347 HydrophobicContact CE2-CB 3.96Å; F312-R347 HydrophobicContact CE2-CG 3.72Å; F312-R347 HydrophobicContact CG-CG 4.39Å; F312-R347 HydrophobicContact CZ-CB 4.14Å; F312-R347 HydrophobicContact CZ-CG 4.38Å; F312-L348 HydrophobicContact CB-CD2 4.16Å; F312-L348 HydrophobicContact CD1-CD1 4.16Å; F312-L348 HydrophobicContact CD1-CD2 3.59Å; F312-L348 HydrophobicContact CD1-CG 3.61Å; F312-L348 HydrophobicContact CE1-CD1 4.29Å; F312-L348 HydrophobicContact CE1-CD2 4.42Å; F312-L348 HydrophobicContact CE1-CG 3.94Å; F312-L348 HydrophobicContact CG-CD2 4.24Å; F312-M351 HydrophobicContact CB-CE 3.99Å; F312-M351 HydrophobicContact CB-SD 3.72Å; F312-M351 HydrophobicContact CG-SD 4.45Å
313N96.4Very high97Very high86 Ų8649.5 Ų49.546%0.4625%0.248SC..Hα-helixtrans-58.9-45.8175.9-71.8-30.5000111.3S309 T310 S315 I316 Q317 M351S309-N313 PolarHBondContact O-N 2.62Å; S309-N313 PolarHBondContact O-ND2 2.98Å; T310-N313 PolarHBondContact O-N 2.81Å; N313-S315 VanDerWaalsContact C-N 3.27Å; N313-S315 PolarHBondContact O-N 2.77Å; N313-I316 WeakPolarHBondContact O-CG1 3.45Å; N313-I316 PolarHBondContact O-N 3.4Å; N313-Q317 VanDerWaalsContact O-CG 3.31Å; N313-Q317 WeakPolarHBondContact O-CG 3.12Å; N313-Q317 PolarHBondContact O-N 2.83Å; N313-M351 WeakPolarHBondContact OD1-CE 3.44Å
314K96.6Very high96.9Very high71 Ų7150.6 Ų50.631%0.30926%0.262SS..Hα-helixtrans-58.9-38.1175.3-176.1178.6175-170.70112.2S229 I230 T310 L311 F312 P318S229-K314 PolarHBondContact O-NZ 2.8Å; S229-K314 WeakPolarHBondContact OG-CE 3.16Å; S229-K314 PolarHBondContact OG-NZ 2.96Å; I230-K314 HydrophobicContact CD1-CB 4.04Å; I230-K314 HydrophobicContact CD1-CD 4.14Å; I230-K314 HydrophobicContact CD1-CG 4.05Å; T310-K314 WeakPolarHBondContact O-CB 3.36Å; T310-K314 PolarHBondContact O-N 2.86Å; L311-K314 PolarHBondContact O-N 2.93Å; F312-K314 VanDerWaalsContact C-N 3.32Å; F312-K314 PolarHBondContact O-N 2.92Å; K314-P318 VanDerWaalsContact O-CD 3.25Å; K314-P318 WeakPolarHBondContact O-CD 3.36Å
315S96.9Very high96.7Very high0 Ų055.8 Ų55.80%029%0.286CS..Hα-helixtrans-74.3-24.8-176.468.30000114.8Y200 L207 L311 F312 N313 L348Y200-S315 WeakPolarHBondContact CE2-O 3.28Å; Y200-S315 WeakPolarHBondContact OH-CB 3.44Å; Y200-S315 PolarHBondContact OH-O 3.14Å; Y200-S315 PolarHBondContact OH-OG 3.22Å; L207-S315 WeakPolarHBondContact CD2-O 3.4Å; L311-S315 WeakPolarHBondContact O-CB 3.48Å; L311-S315 PolarHBondContact O-N 3.34Å; L311-S315 PolarHBondContact O-OG 2.58Å; F312-S315 WeakPolarHBondContact CA-OG 3.35Å; F312-S315 PolarHBondContact O-N 2.97Å; F312-S315 VanDerWaalsContact O-N 3.1Å; F312-S315 PolarHBondContact O-OG 2.95Å; N313-S315 VanDerWaalsContact C-N 3.27Å; N313-S315 PolarHBondContact O-N 2.77Å; S315-L348 WeakPolarHBondContact OG-CD2 3.36Å
316I96.1Very high96.5Very high24 Ų2454.8 Ų54.812%0.12329%0.285CS..Hα-helixtrans-91.9-19.7177.362.9157.1000113F312 N313 P318 I319 L348 M351 I352 M355F312-I316 PolarHBondContact O-N 3.48Å; N313-I316 WeakPolarHBondContact O-CG1 3.45Å; N313-I316 PolarHBondContact O-N 3.4Å; I316-P318 VanDerWaalsContact C-CD 3.48Å; I316-I319 HydrophobicContact CB-CD1 4.43Å; I316-I319 WeakPolarHBondContact O-CB 3.49Å; I316-I319 PolarHBondContact O-N 2.97Å; I316-I319 VanDerWaalsContact O-N 3.15Å; I316-L348 HydrophobicContact CG2-CD2 4.38Å; I316-M351 HydrophobicContact CD1-CB 4.43Å; I316-M351 HydrophobicContact CD1-CE 3.43Å; I316-M351 VanDerWaalsContact CD1-CE 3.43Å; I316-M351 HydrophobicContact CG1-CE 3.83Å; I316-M351 HydrophobicContact CG2-CB 4.24Å; I316-M351 HydrophobicContact CG2-CE 4.28Å; I316-I352 HydrophobicContact CG2-CG1 4.23Å; I316-M355 HydrophobicContact CB-SD 4.09Å; I316-M355 HydrophobicContact CD1-SD 4Å
317Q95.1Very high96.3Very high119 Ų11952.8 Ų52.856%0.55629%0.291SS*.Hα-helixtrans-53.5-43.3-179.8-85.3172.7-8.800113.9N313 I319 R320N313-Q317 VanDerWaalsContact O-CG 3.31Å; N313-Q317 WeakPolarHBondContact O-CG 3.12Å; N313-Q317 PolarHBondContact O-N 2.83Å; Q317-I319 PolarHBondContact O-N 2.97Å; Q317-I319 VanDerWaalsContact O-N 3.07Å; Q317-R320 PolarHBondContact O-N 3.41Å; Q317-R320 VanDerWaalsContact O-N 3.14Å
318P96.3Very high96.2Very high21 Ų2151.8 Ų51.814%0.13629%0.286CS..Hα-helixtrans-59.1-23.3-179.5-28.437.1000114.5L207 V209 K314 I316 L322L207-P318 HydrophobicContact CD2-CG 3.89Å; V209-P318 HydrophobicContact CG2-CB 4.14Å; K314-P318 VanDerWaalsContact O-CD 3.25Å; K314-P318 WeakPolarHBondContact O-CD 3.36Å; I316-P318 VanDerWaalsContact C-CD 3.48Å; P318-L322 WeakPolarHBondContact O-CB 2.93Å; P318-L322 PolarHBondContact O-N 3.11Å
319I97.2Very high96Very high0 Ų054.8 Ų54.80%031%0.307CS..Hα-helixtrans-60.5-48.8177-63.2170.3000110.2L198 Y200 V209 I316 Q317 L322 L323 I352 M355 F356L198-I319 HydrophobicContact CD1-CG2 3.92Å; Y200-I319 HydrophobicContact CD2-CD1 3.84Å; Y200-I319 HydrophobicContact CD2-CG1 4.09Å; Y200-I319 HydrophobicContact CE2-CD1 4.07Å; Y200-I319 HydrophobicContact CE2-CG1 4.4Å; V209-I319 HydrophobicContact CG1-CG1 3.98Å; V209-I319 HydrophobicContact CG2-CG1 4.26Å; I316-I319 HydrophobicContact CB-CD1 4.43Å; I316-I319 WeakPolarHBondContact O-CB 3.49Å; I316-I319 PolarHBondContact O-N 2.97Å; I316-I319 VanDerWaalsContact O-N 3.15Å; Q317-I319 PolarHBondContact O-N 2.97Å; Q317-I319 VanDerWaalsContact O-N 3.07Å; I319-L322 PolarHBondContact O-N 3.44Å; I319-L323 HydrophobicContact CG2-CD1 4.16Å; I319-L323 WeakPolarHBondContact O-CG 3.03Å; I319-L323 PolarHBondContact O-N 2.89Å; I319-I352 HydrophobicContact CD1-CG1 4.25Å; I319-M355 HydrophobicContact CB-CE 3.85Å; I319-M355 HydrophobicContact CD1-CE 4.37Å; I319-M355 HydrophobicContact CD1-SD 4.14Å; I319-M355 HydrophobicContact CG2-CE 3.59Å; I319-F356 HydrophobicContact CG2-CE2 3.87Å; I319-F356 HydrophobicContact CG2-CZ 3.66Å
320R95.2Very high95.9Very high156 Ų15654.3 Ų54.359%0.58931%0.306SS*.Hα-helixtrans-63.7-51.3-178.3-65.2-177.4-177.9-89.6-1.7110.8Q317 L322 L323 D324 M355Q317-R320 PolarHBondContact O-N 3.41Å; Q317-R320 VanDerWaalsContact O-N 3.14Å; R320-L322 PolarHBondContact O-N 2.88Å; R320-L323 PolarHBondContact O-N 3.48Å; R320-L323 VanDerWaalsContact O-N 3.13Å; R320-D324 VanDerWaalsContact O-CG 3.28Å; R320-D324 PolarHBondContact O-N 2.8Å; R320-M355 HydrophobicContact CG-CE 3.75Å
321S94.8Very high95.7Very high53 Ų5352.6 Ų52.637%0.37131%0.309SS..Hα-helixtrans-59.8-33.2178.9-51.80000112.8R225 E325R225-S321 PolarHBondContact NE-O 3.42Å; R225-S321 VanDerWaalsContact NH2-C 3.34Å; R225-S321 PolarHBondContact NH2-O 3.38Å; S321-E325 PolarHBondContact O-N 3.45Å
322L96.7Very high95.4Very high0 Ų054.4 Ų54.40%032%0.319CS..Hα-helixtrans-70.3-43.5176.5-178.477.3000112V209 V211 S223 R225 P318 I319 R320 E325 A326V209-L322 HydrophobicContact CB-CD2 3.84Å; V209-L322 HydrophobicContact CG1-CD2 3.44Å; V209-L322 VanDerWaalsContact CG1-CD2 3.44Å; V209-L322 WeakPolarHBondContact O-CD2 3.28Å; V211-L322 HydrophobicContact CG2-CD2 3.77Å; V211-L322 HydrophobicContact CG2-CG 4.18Å; S223-L322 VanDerWaalsContact OG-CD1 3.24Å; S223-L322 WeakPolarHBondContact OG-CD1 3.34Å; R225-L322 HydrophobicContact CB-CD1 4.25Å; R225-L322 HydrophobicContact CG-CB 4.49Å; R225-L322 HydrophobicContact CG-CD1 3.8Å; P318-L322 WeakPolarHBondContact O-CB 2.93Å; P318-L322 PolarHBondContact O-N 3.11Å; I319-L322 PolarHBondContact O-N 3.44Å; R320-L322 PolarHBondContact O-N 2.88Å; L322-E325 PolarHBondContact O-N 2.85Å; L322-A326 WeakPolarHBondContact O-CB 3.35Å; L322-A326 PolarHBondContact O-N 3.32Å
323L96.8Very high95.3Very high10 Ų1054.4 Ų54.45%0.05232%0.319CS..Hα-helixtrans-63.6-43.6177.4-69.7176.6000111.2L198 V211 I319 R320 E325 A326 G327 L328 I333 F356L198-L323 HydrophobicContact CD1-CD2 4.34Å; V211-L323 HydrophobicContact CG2-CD2 4.1Å; I319-L323 HydrophobicContact CG2-CD1 4.16Å; I319-L323 WeakPolarHBondContact O-CG 3.03Å; I319-L323 PolarHBondContact O-N 2.89Å; R320-L323 PolarHBondContact O-N 3.48Å; R320-L323 VanDerWaalsContact O-N 3.13Å; L323-E325 VanDerWaalsContact C-N 3.34Å; L323-E325 PolarHBondContact O-N 3.48Å; L323-A326 CarbonylContact O-C 3.58Å; L323-A326 PolarHBondContact O-N 3.33Å; L323-A326 VanDerWaalsContact O-N 3.12Å; L323-G327 PolarHBondContact O-N 3.19Å; L323-L328 CarbonylContact C-O 3.49Å; L323-L328 WeakPolarHBondContact CB-O 3.35Å; L323-L328 HydrophobicContact CD2-CB 4.21Å; L323-L328 PolarHBondContact O-N 2.98Å; L323-I333 HydrophobicContact CD2-CD1 3.71Å; L323-I333 HydrophobicContact CD2-CG1 3.81Å; L323-F356 HydrophobicContact CD1-CE1 4.25Å; L323-F356 HydrophobicContact CD1-CZ 4.16Å
324D95.4Very high95.2Very high123 Ų12354.2 Ų54.266%0.65832%0.318SS*.Hα-helixtrans-58.8-44.2176.4-64.5-24.9000111.6R320 A326 G327R320-D324 VanDerWaalsContact O-CG 3.28Å; R320-D324 PolarHBondContact O-N 2.8Å; D324-A326 VanDerWaalsContact C-N 3.34Å; D324-A326 PolarHBondContact O-N 2.74Å; D324-G327 PolarHBondContact O-N 3.39Å; D324-G327 VanDerWaalsContact O-N 3.16Å
325E93.5Very high95.1Very high114 Ų11453.4 Ų53.453%0.53331%0.314SS..Hα-helixtrans-66.4-33.9175.6-86.1-176.9-176.200113.4R225 S321 L322 L323 G327R225-E325 IonicContact CZ-OE1 2.59Å; R225-E325 IonicContact CZ-OE2 3.38Å; R225-E325 IonicContact NE-OE2 3.76Å; R225-E325 IonicContact NH1-OE1 2.83Å; R225-E325 PolarHBondContact NH1-OE1 2.88Å; R225-E325 IonicContact NH1-OE2 3.94Å; R225-E325 PolarHBondContact NH1-OE2 2.95Å; R225-E325 VanDerWaalsContact NH2-CG 3.33Å; R225-E325 IonicContact NH2-OE1 3.84Å; R225-E325 PolarHBondContact NH2-OE1 2.83Å; R225-E325 IonicContact NH2-OE2 2.73Å; R225-E325 PolarHBondContact NH2-OE2 2.85Å; R225-E325 VanDerWaalsContact NH2-OE2 3.11Å; S321-E325 PolarHBondContact O-N 3.45Å; L322-E325 PolarHBondContact O-N 2.85Å; L323-E325 VanDerWaalsContact C-N 3.34Å; L323-E325 PolarHBondContact O-N 3.48Å; E325-G327 PolarHBondContact O-N 2.82Å
326A93.7Very high95.1Very high24 Ų2453.4 Ų53.420%0.19831%0.314CS..Hα-helixtrans-75.6-8.5175.900000112.6V222 L322 L323 D324 L328V222-A326 HydrophobicContact CG1-CB 3.97Å; L322-A326 WeakPolarHBondContact O-CB 3.35Å; L322-A326 PolarHBondContact O-N 3.32Å; L323-A326 CarbonylContact O-C 3.58Å; L323-A326 PolarHBondContact O-N 3.33Å; L323-A326 VanDerWaalsContact O-N 3.12Å; D324-A326 VanDerWaalsContact C-N 3.34Å; D324-A326 PolarHBondContact O-N 2.74Å; A326-L328 HydrophobicContact CB-CB 4.36Å; A326-L328 HydrophobicContact CB-CD1 3.88Å; A326-L328 HydrophobicContact CB-CG 3.94Å; A326-L328 PolarHBondContact O-N 3.36Å
327G95.4Very high95.1Very high67 Ų6752.3 Ų52.369%0.69131%0.309SS*.THydrogen-bonded Turntrans65.729.7-172.400000112.6L323 D324 E325L323-G327 PolarHBondContact O-N 3.19Å; D324-G327 PolarHBondContact O-N 3.39Å; D324-G327 VanDerWaalsContact O-N 3.16Å; E325-G327 PolarHBondContact O-N 2.82Å
328L95.4Very high95.2Very high28 Ų2846.7 Ų46.715%0.14728%0.282CS..  trans-115.4148.9-177.4-62.1175.3000110.5H196 V211 L323 A326 D332 I333H196-L328 HydrophobicContact CB-CD1 4.46Å; V211-L328 HydrophobicContact CG1-CD1 3.79Å; L323-L328 CarbonylContact C-O 3.49Å; L323-L328 WeakPolarHBondContact CB-O 3.35Å; L323-L328 HydrophobicContact CD2-CB 4.21Å; L323-L328 PolarHBondContact O-N 2.98Å; A326-L328 HydrophobicContact CB-CB 4.36Å; A326-L328 HydrophobicContact CB-CD1 3.88Å; A326-L328 HydrophobicContact CB-CG 3.94Å; A326-L328 PolarHBondContact O-N 3.36Å; L328-D332 HydrophobicContact CB-CB 4.28Å; L328-D332 HydrophobicContact CD2-CB 3.96Å; L328-I333 HydrophobicContact CD1-CD1 4.38Å
329S94.6Very high95.2Very high64 Ų6445.7 Ų45.745%0.44828%0.276SS..  trans-95.5168.7167.475.30000110.8G331 D332S329-G331 PolarHBondContact O-N 3.35Å; S329-G331 PolarHBondContact OG-N 2.91Å; S329-D332 WeakPolarHBondContact CA-OD2 3.15Å; S329-D332 VanDerWaalsContact CB-OD2 3.32Å; S329-D332 WeakPolarHBondContact CB-OD2 3.27Å; S329-D332 PolarHBondContact N-OD2 3.47Å; S329-D332 PolarHBondContact O-N 2.8Å; S329-D332 VanDerWaalsContact O-N 3.15Å; S329-D332 PolarHBondContact OG-OD2 3.38Å
330A93.8Very high95.1Very high41 Ų4146 Ų4634%0.33928%0.28SS..G310 helixtrans-60-30173.900000112.6D332 I333 F356 I359A330-D332 VanDerWaalsContact C-N 3.29Å; A330-D332 PolarHBondContact O-N 2.81Å; A330-I333 PolarHBondContact O-N 3.41Å; A330-F356 HydrophobicContact CB-CD1 4.06Å; A330-F356 HydrophobicContact CB-CE1 3.89Å; A330-I359 WeakPolarHBondContact O-CD1 3.19Å
331G92.9Very high95Very high67 Ų6739.9 Ų39.969%0.69127%0.265SS*.G310 helixtrans-75-15.2178.600000114.3S329 I333S329-G331 PolarHBondContact O-N 3.35Å; S329-G331 PolarHBondContact OG-N 2.91Å; G331-I333 VanDerWaalsContact C-N 3.29Å
332D93.6Very high95.1Very high72 Ų7237.8 Ų37.839%0.38525%0.25SS..G310 helixtrans-81.9-10.3176.6-60.6-59.4000112.7H196 L328 S329 A330H196-D332 WeakPolarHBondContact CB-O 3.33Å; L328-D332 HydrophobicContact CB-CB 4.28Å; L328-D332 HydrophobicContact CD2-CB 3.96Å; S329-D332 WeakPolarHBondContact CA-OD2 3.15Å; S329-D332 VanDerWaalsContact CB-OD2 3.32Å; S329-D332 WeakPolarHBondContact CB-OD2 3.27Å; S329-D332 PolarHBondContact N-OD2 3.47Å; S329-D332 PolarHBondContact O-N 2.8Å; S329-D332 VanDerWaalsContact O-N 3.15Å; S329-D332 PolarHBondContact OG-OD2 3.38Å; A330-D332 VanDerWaalsContact C-N 3.29Å; A330-D332 PolarHBondContact O-N 2.81Å
333I95.7Very high95.1Very high3 Ų337.9 Ų37.92%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-86127177.9-57.9-56.5000109.5H196 L198 V211 L323 L328 A330 G331 K335 V336 F356 I359H196-I333 HydrophobicContact CB-CD1 3.91Å; L198-I333 HydrophobicContact CB-CD1 4.49Å; L198-I333 HydrophobicContact CB-CG2 3.98Å; V211-I333 HydrophobicContact CG1-CD1 4.33Å; V211-I333 HydrophobicContact CG2-CD1 4.39Å; L323-I333 HydrophobicContact CD2-CD1 3.71Å; L323-I333 HydrophobicContact CD2-CG1 3.81Å; L328-I333 HydrophobicContact CD1-CD1 4.38Å; A330-I333 PolarHBondContact O-N 3.41Å; G331-I333 VanDerWaalsContact C-N 3.29Å; I333-K335 WeakPolarHBondContact CG2-O 3.44Å; I333-V336 HydrophobicContact CG2-CG2 4Å; I333-F356 HydrophobicContact CB-CE1 4.21Å; I333-F356 HydrophobicContact CG1-CE1 4.06Å; I333-I359 HydrophobicContact CB-CD1 4.19Å; I333-I359 WeakPolarHBondContact O-CD1 3.45Å; I333-I359 VanDerWaalsContact O-CG1 3.28Å; I333-I359 WeakPolarHBondContact O-CG1 3.24Å
334N93.1Very high95Very high81 Ų8141.4 Ų41.443%0.43326%0.263SS..EExtended strand (participates in β ladder)trans-92.3-33.4-178-58.698.6000113S195 H196S195-N334 VanDerWaalsContact CA-OD1 3.3Å; S195-N334 WeakPolarHBondContact CA-OD1 3.49Å; S195-N334 WeakPolarHBondContact OG-CB 3.12Å; S195-N334 PolarHBondContact OG-OD1 3.31Å; H196-N334 PolarHBondContact N-OD1 2.96Å; H196-N334 PolarHBondContact O-N 2.92Å; H196-N334 PolarHBondContact O-OD1 3.14Å
335K94.5Very high95.1Very high55 Ų5535.8 Ų35.824%0.23923%0.233CC..EExtended strand (participates in β ladder)trans-145.9147.9-179.5-64.1-174175.8-176.20110.5V186 V197 L198 I333 E360 L362V186-K335 HydrophobicContact CG1-CD 4.43Å; V186-K335 HydrophobicContact CG2-CD 4.15Å; V197-K335 WeakPolarHBondContact CA-O 3.27Å; V197-K335 HydrophobicContact CG1-CB 4.18Å; V197-K335 HydrophobicContact CG2-CB 4.38Å; L198-K335 PolarHBondContact N-O 3.08Å; I333-K335 WeakPolarHBondContact CG2-O 3.44Å; K335-E360 IonicContact NZ-OE2 3.05Å; K335-L362 HydrophobicContact CB-CD1 4.33Å; K335-L362 HydrophobicContact CD-CD1 4.03Å
336V96.9Very high95.2Very high0 Ų032.1 Ų32.10%022%0.219CC..EExtended strand (participates in β ladder)trans-119.4123.6172.3-179.60000109.4L198 I333 L338 I352 F356 I359 E360 L361 L362L198-V336 HydrophobicContact CB-CG2 4.33Å; L198-V336 HydrophobicContact CD2-CG1 3.83Å; L198-V336 CarbonylContact O-C 3.48Å; L198-V336 VanDerWaalsContact O-CA 3.31Å; L198-V336 WeakPolarHBondContact O-CA 3.3Å; I333-V336 HydrophobicContact CG2-CG2 4Å; V336-L338 HydrophobicContact CG1-CD2 4.35Å; V336-I352 HydrophobicContact CG1-CG2 4.07Å; V336-F356 HydrophobicContact CG2-CB 4.42Å; V336-F356 HydrophobicContact CG2-CD1 4.42Å; V336-F356 HydrophobicContact CG2-CD2 3.87Å; V336-F356 HydrophobicContact CG2-CE2 4.16Å; V336-F356 HydrophobicContact CG2-CG 4.01Å; V336-I359 HydrophobicContact CG2-CG2 3.95Å; V336-E360 PolarHBondContact N-O 3.22Å; V336-L361 HydrophobicContact CB-CD1 3.57Å; V336-L361 HydrophobicContact CG1-CD1 3.4Å; V336-L361 VanDerWaalsContact CG1-CD1 3.4Å; V336-L361 CarbonylContact O-C 3.43Å; V336-L362 PolarHBondContact O-N 2.72Å
337V97Very high95.4Very high0 Ų034.6 Ų34.60%022%0.223CC..EExtended strand (participates in β ladder)trans-103.3125.7177.8178.10000109.6A180 L181 Y184 V197 L198 V199 Y200 L362 V370A180-V337 HydrophobicContact CB-CG1 4Å; L181-V337 HydrophobicContact CD1-CG2 4.21Å; Y184-V337 HydrophobicContact CD2-CG1 3.92Å; Y184-V337 HydrophobicContact CD2-CG2 4.35Å; Y184-V337 HydrophobicContact CE2-CG1 3.68Å; V197-V337 HydrophobicContact CG1-CG2 3.94Å; L198-V337 PolarHBondContact O-N 3.37Å; V199-V337 HydrophobicContact CG2-CB 4.24Å; Y200-V337 PolarHBondContact N-O 2.84Å; V337-L362 HydrophobicContact CG2-CB 4.28Å; V337-L362 HydrophobicContact CG2-CD1 3.69Å; V337-V370 HydrophobicContact CG1-CG1 4.41Å
338L96.9Very high95.4Very high1 Ų131.5 Ų31.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-97.8126.5174.1-61.1-172.7000110.8Y200 V336 Q349 I352 L361 L362Y200-L338 HydrophobicContact CD1-CD2 4Å; Y200-L338 HydrophobicContact CG-CD2 4.31Å; V336-L338 HydrophobicContact CG1-CD2 4.35Å; L338-Q349 HydrophobicContact CD1-CB 4.41Å; L338-Q349 HydrophobicContact CD1-CG 3.77Å; L338-I352 HydrophobicContact CD2-CD1 3.75Å; L338-I352 HydrophobicContact CD2-CG2 4.45Å; L338-L361 HydrophobicContact CD1-CD1 4.18Å; L338-L361 HydrophobicContact CD1-CD2 3.9Å; L338-L361 HydrophobicContact CD1-CG 4.01Å; L338-L361 HydrophobicContact CD2-CD1 3.98Å; L338-L361 HydrophobicContact CG-CD1 3.9Å; L338-L361 HydrophobicContact CG-CG 4.12Å; L338-L362 PolarHBondContact N-O 3Å
339C96.1Very high95.4Very high1 Ų131.9 Ų31.91%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-139.7168.4172.2630000112.4Y200 K201 L202 S343 P367 V370 I371Y200-C339 PolarHBondContact O-N 3.16Å; K201-C339 VanDerWaalsContact CA-O 3.27Å; K201-C339 WeakPolarHBondContact CA-O 2.98Å; K201-C339 WeakPolarHBondContact CB-SG 3.44Å; L202-C339 PolarHBondContact N-O 3Å; L202-C339 VanDerWaalsContact N-O 3.08Å; C339-S343 WeakPolarHBondContact O-CB 3.48Å; C339-S343 PolarHBondContact O-OG 2.86Å; C339-P367 CarbonylContact C-O 3.58Å; C339-P367 VanDerWaalsContact CA-O 3.24Å; C339-P367 WeakPolarHBondContact CA-O 3.39Å; C339-V370 HydrophobicContact CB-CB 4.12Å; C339-V370 HydrophobicContact CB-CG1 4Å; C339-I371 HydrophobicContact CB-CD1 4.25Å; C339-I371 HydrophobicContact CB-CG1 4.09Å
340G95.5Very high95.4Very high7 Ų732.9 Ų32.97%0.07219%0.189CC..SBendtrans82.4139-171.400000113L202 S342 S343 P367L202-G340 CarbonylContact O-C 3.54Å; L202-G340 WeakPolarHBondContact O-CA 3.17Å; G340-S342 VanDerWaalsContact C-N 3.26Å; G340-S342 PolarHBondContact O-N 2.81Å; G340-S342 VanDerWaalsContact O-N 3.15Å; G340-S343 VanDerWaalsContact O-CB 3.25Å; G340-S343 WeakPolarHBondContact O-CB 3.48Å; G340-S343 PolarHBondContact O-N 2.9Å; G340-S343 PolarHBondContact O-OG 3.36Å; G340-P367 PolarHBondContact N-O 2.87Å; G340-P367 WeakPolarHBondContact O-CB 3.19Å
341G93.7Very high95.6Very high27 Ų2731.4 Ų31.428%0.27818%0.176SC..G310 helixtrans-59.4-31.4-169.900000114.9S343 R344G341-S343 PolarHBondContact O-N 3.3Å; G341-R344 VanDerWaalsContact O-CB 3.28Å; G341-R344 WeakPolarHBondContact O-CB 3.37Å; G341-R344 WeakPolarHBondContact O-CG 3.42Å; G341-R344 PolarHBondContact O-N 2.72Å; G341-R344 VanDerWaalsContact O-N 3.17Å
342S96.4Very high95.8Very high9 Ų928.3 Ų28.36%0.06314%0.143CC..G310 helixtrans-72.9-16.6178.9-51.10000112.8L202 G203 G232 G340 R344 I345L202-S342 WeakPolarHBondContact O-CB 3.45Å; L202-S342 PolarHBondContact O-N 2.96Å; G203-S342 PolarHBondContact O-OG 3.44Å; G232-S342 WeakPolarHBondContact CA-OG 3.24Å; G232-S342 PolarHBondContact N-OG 2.78Å; G340-S342 VanDerWaalsContact C-N 3.26Å; G340-S342 PolarHBondContact O-N 2.81Å; G340-S342 VanDerWaalsContact O-N 3.15Å; S342-R344 PolarHBondContact O-N 2.82Å; S342-I345 WeakPolarHBondContact O-CD1 3.35Å; S342-I345 VanDerWaalsContact O-CG1 3.26Å; S342-I345 WeakPolarHBondContact O-CG1 3.14Å; S342-I345 PolarHBondContact O-N 3.21Å
343S95.8Very high95.9Very high1 Ų130.4 Ų30.41%0.00715%0.146CC..G310 helixtrans-69-6.5171.6-57.20000112.8L202 C339 G340 G341 I345 Q349L202-S343 PolarHBondContact N-OG 2.72Å; C339-S343 WeakPolarHBondContact O-CB 3.48Å; C339-S343 PolarHBondContact O-OG 2.86Å; G340-S343 VanDerWaalsContact O-CB 3.25Å; G340-S343 WeakPolarHBondContact O-CB 3.48Å; G340-S343 PolarHBondContact O-N 2.9Å; G340-S343 PolarHBondContact O-OG 3.36Å; G341-S343 PolarHBondContact O-N 3.3Å; S343-I345 PolarHBondContact O-N 2.81Å; S343-Q349 VanDerWaalsContact O-CG 3.32Å; S343-Q349 WeakPolarHBondContact O-CG 3.41Å; S343-Q349 PolarHBondContact O-NE2 3.07Å
344R95.3Very high95.9Very high85 Ų8535.8 Ų35.832%0.32117%0.171SC..G310 helixtrans-70.3-17.4169.7-69.3177175.9-98.920.8113.5G341 S342 P346 P367 D368G341-R344 VanDerWaalsContact O-CB 3.28Å; G341-R344 WeakPolarHBondContact O-CB 3.37Å; G341-R344 WeakPolarHBondContact O-CG 3.42Å; G341-R344 PolarHBondContact O-N 2.72Å; G341-R344 VanDerWaalsContact O-N 3.17Å; S342-R344 PolarHBondContact O-N 2.82Å; R344-P346 VanDerWaalsContact O-CD 3.27Å; R344-P346 WeakPolarHBondContact O-CD 3.45Å; R344-P367 HydrophobicContact CG-CB 4.43Å; R344-P367 HydrophobicContact CG-CG 3.93Å; R344-D368 IonicContact CZ-OD1 2.74Å; R344-D368 IonicContact CZ-OD2 2.66Å; R344-D368 IonicContact NE-OD1 2.74Å; R344-D368 PolarHBondContact NE-OD1 2.85Å; R344-D368 IonicContact NE-OD2 3.45Å; R344-D368 PolarHBondContact NE-OD2 2.92Å; R344-D368 IonicContact NH2-OD1 3.74Å; R344-D368 PolarHBondContact NH2-OD1 3.39Å; R344-D368 IonicContact NH2-OD2 3.53Å; R344-D368 PolarHBondContact NH2-OD2 3.3Å
345I96.8Very high96Very high4 Ų433.2 Ų33.22%0.02116%0.156CC..  trans-63.5118.9-176.7-63.4168.5000109.4F235 F304 F312 S342 S343 R347 L348 Q349F235-I345 HydrophobicContact CD2-CD1 4.4Å; F235-I345 HydrophobicContact CG-CD1 4.31Å; F304-I345 HydrophobicContact CE1-CD1 4.46Å; F304-I345 HydrophobicContact CE1-CG2 4.18Å; F304-I345 HydrophobicContact CZ-CD1 4.32Å; F312-I345 HydrophobicContact CE1-CD1 4.36Å; F312-I345 HydrophobicContact CE1-CG2 3.78Å; F312-I345 HydrophobicContact CZ-CG2 3.88Å; S342-I345 WeakPolarHBondContact O-CD1 3.35Å; S342-I345 VanDerWaalsContact O-CG1 3.26Å; S342-I345 WeakPolarHBondContact O-CG1 3.14Å; S342-I345 PolarHBondContact O-N 3.21Å; S343-I345 PolarHBondContact O-N 2.81Å; I345-R347 VanDerWaalsContact C-N 3.3Å; I345-R347 HydrophobicContact CG2-CB 4.38Å; I345-R347 PolarHBondContact O-N 2.94Å; I345-L348 HydrophobicContact CB-CB 4.44Å; I345-L348 HydrophobicContact CB-CD1 4.14Å; I345-L348 HydrophobicContact CB-CG 4.38Å; I345-L348 HydrophobicContact CD1-CD1 4.17Å; I345-L348 HydrophobicContact CG2-CG 4.46Å; I345-L348 WeakPolarHBondContact O-CB 3.18Å; I345-L348 PolarHBondContact O-N 3.29Å; I345-Q349 PolarHBondContact O-N 3.37Å
346P96.1Very high96.1Very high37 Ų3730.8 Ų30.824%0.2415%0.146CC..Hα-helixtrans-56.9-40.5-173.3-29.936.5000113.8S277 R344 L348 Q349 Q350S277-P346 VanDerWaalsContact O-CG 3.32Å; S277-P346 WeakPolarHBondContact O-CG 3.37Å; R344-P346 VanDerWaalsContact O-CD 3.27Å; R344-P346 WeakPolarHBondContact O-CD 3.45Å; P346-L348 VanDerWaalsContact C-N 3.29Å; P346-L348 PolarHBondContact O-N 3.33Å; P346-Q349 PolarHBondContact O-N 2.96Å; P346-Q350 PolarHBondContact O-N 3.23Å
347R97.1Very high95.8Very high77 Ų7735.4 Ų35.429%0.29118%0.176SC..Hα-helixtrans-60-37.8178.7-173.360.2-175.8158.55.5113.1E305 F312 I345 Q350 M351E305-R347 HydrophobicContact CG-CB 3.89Å; E305-R347 HydrophobicContact CG-CG 4.27Å; F312-R347 HydrophobicContact CD2-CB 4.39Å; F312-R347 HydrophobicContact CD2-CG 3.75Å; F312-R347 HydrophobicContact CE2-CB 3.96Å; F312-R347 HydrophobicContact CE2-CG 3.72Å; F312-R347 HydrophobicContact CG-CG 4.39Å; F312-R347 HydrophobicContact CZ-CB 4.14Å; F312-R347 HydrophobicContact CZ-CG 4.38Å; I345-R347 VanDerWaalsContact C-N 3.3Å; I345-R347 HydrophobicContact CG2-CB 4.38Å; I345-R347 PolarHBondContact O-N 2.94Å; R347-Q350 VanDerWaalsContact NH1-CD 3.25Å; R347-Q350 PolarHBondContact O-N 3.28Å; R347-M351 HydrophobicContact CG-SD 4.08Å; R347-M351 VanDerWaalsContact O-CG 3.28Å; R347-M351 WeakPolarHBondContact O-CG 3.19Å; R347-M351 PolarHBondContact O-N 3Å
348L95.6Very high95.5Very high1 Ų143 Ų431%0.00522%0.217CC..Hα-helixtrans-67.9-44.5176.7-77.3175.3000111.7L202 F235 F312 S315 I316 I345 P346 Q350 M351 I352L202-L348 HydrophobicContact CD2-CD1 3.32Å; F235-L348 HydrophobicContact CZ-CD1 4.42Å; F312-L348 HydrophobicContact CB-CD2 4.16Å; F312-L348 HydrophobicContact CD1-CD1 4.16Å; F312-L348 HydrophobicContact CD1-CD2 3.59Å; F312-L348 HydrophobicContact CD1-CG 3.61Å; F312-L348 HydrophobicContact CE1-CD1 4.29Å; F312-L348 HydrophobicContact CE1-CD2 4.42Å; F312-L348 HydrophobicContact CE1-CG 3.94Å; F312-L348 HydrophobicContact CG-CD2 4.24Å; S315-L348 WeakPolarHBondContact OG-CD2 3.36Å; I316-L348 HydrophobicContact CG2-CD2 4.38Å; I345-L348 HydrophobicContact CB-CB 4.44Å; I345-L348 HydrophobicContact CB-CD1 4.14Å; I345-L348 HydrophobicContact CB-CG 4.38Å; I345-L348 HydrophobicContact CD1-CD1 4.17Å; I345-L348 HydrophobicContact CG2-CG 4.46Å; I345-L348 WeakPolarHBondContact O-CB 3.18Å; I345-L348 PolarHBondContact O-N 3.29Å; P346-L348 VanDerWaalsContact C-N 3.29Å; P346-L348 PolarHBondContact O-N 3.33Å; L348-Q350 VanDerWaalsContact C-N 3.26Å; L348-Q350 PolarHBondContact O-N 3.23Å; L348-M351 PolarHBondContact O-N 3Å; L348-I352 WeakPolarHBondContact O-CG1 3.33Å; L348-I352 PolarHBondContact O-N 3.37Å
349Q95.5Very high95.3Very high36 Ų3644.5 Ų44.517%0.16822%0.224CC..Hα-helixtrans-61.7-38.8176.7-58.8-170.74.600111.6L338 S343 I345 P346 R353L338-Q349 HydrophobicContact CD1-CB 4.41Å; L338-Q349 HydrophobicContact CD1-CG 3.77Å; S343-Q349 VanDerWaalsContact O-CG 3.32Å; S343-Q349 WeakPolarHBondContact O-CG 3.41Å; S343-Q349 PolarHBondContact O-NE2 3.07Å; I345-Q349 PolarHBondContact O-N 3.37Å; P346-Q349 PolarHBondContact O-N 2.96Å; Q349-R353 WeakPolarHBondContact O-CB 3.49Å; Q349-R353 PolarHBondContact O-N 2.91Å
350Q96.3Very high95Very high85 Ų8549.7 Ų49.740%0.39725%0.248SC..Hα-helixtrans-61.3-51.1174.3-175.8-171.9-6.900111.1P346 R347 L348 I352 R353 E354P346-Q350 PolarHBondContact O-N 3.23Å; R347-Q350 VanDerWaalsContact NH1-CD 3.25Å; R347-Q350 PolarHBondContact O-N 3.28Å; L348-Q350 VanDerWaalsContact C-N 3.26Å; L348-Q350 PolarHBondContact O-N 3.23Å; Q350-I352 VanDerWaalsContact C-N 3.3Å; Q350-I352 PolarHBondContact O-N 2.86Å; Q350-R353 PolarHBondContact O-N 3.14Å; Q350-R353 VanDerWaalsContact O-N 3.14Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.48Å; Q350-E354 PolarHBondContact NE2-OE1 2.78Å; Q350-E354 WeakPolarHBondContact O-CG 3.22Å; Q350-E354 PolarHBondContact O-N 3.07Å
351M97.2Very high95Very high10 Ų1050.2 Ų50.25%0.04925%0.249CC..Hα-helixtrans-62-37.3-179.3-71.7171.763.700112.4F312 N313 I316 R347 L348 E354 M355F312-M351 HydrophobicContact CB-CE 3.99Å; F312-M351 HydrophobicContact CB-SD 3.72Å; F312-M351 HydrophobicContact CG-SD 4.45Å; N313-M351 WeakPolarHBondContact OD1-CE 3.44Å; I316-M351 HydrophobicContact CD1-CB 4.43Å; I316-M351 HydrophobicContact CD1-CE 3.43Å; I316-M351 VanDerWaalsContact CD1-CE 3.43Å; I316-M351 HydrophobicContact CG1-CE 3.83Å; I316-M351 HydrophobicContact CG2-CB 4.24Å; I316-M351 HydrophobicContact CG2-CE 4.28Å; R347-M351 HydrophobicContact CG-SD 4.08Å; R347-M351 VanDerWaalsContact O-CG 3.28Å; R347-M351 WeakPolarHBondContact O-CG 3.19Å; R347-M351 PolarHBondContact O-N 3Å; L348-M351 PolarHBondContact O-N 3Å; M351-E354 PolarHBondContact O-N 3.18Å; M351-M355 WeakPolarHBondContact O-CG 3.42Å; M351-M355 PolarHBondContact O-N 2.87Å
352I96.6Very high94.9Very high2 Ų249.6 Ų49.61%0.0124%0.24CC..Hα-helixtrans-68.4-41.6174.8-65.6168.3000110.6Y200 I316 I319 V336 L338 L348 Q350 E354 M355 F356 L361Y200-I352 HydrophobicContact CD1-CD1 3.61Å; Y200-I352 HydrophobicContact CD2-CD1 4.06Å; Y200-I352 HydrophobicContact CE1-CD1 3.7Å; Y200-I352 HydrophobicContact CE2-CD1 4.14Å; Y200-I352 HydrophobicContact CG-CD1 3.8Å; I316-I352 HydrophobicContact CG2-CG1 4.23Å; I319-I352 HydrophobicContact CD1-CG1 4.25Å; V336-I352 HydrophobicContact CG1-CG2 4.07Å; L338-I352 HydrophobicContact CD2-CD1 3.75Å; L338-I352 HydrophobicContact CD2-CG2 4.45Å; L348-I352 WeakPolarHBondContact O-CG1 3.33Å; L348-I352 PolarHBondContact O-N 3.37Å; Q350-I352 VanDerWaalsContact C-N 3.3Å; Q350-I352 PolarHBondContact O-N 2.86Å; I352-E354 VanDerWaalsContact C-N 3.31Å; I352-E354 PolarHBondContact O-N 3.24Å; I352-M355 WeakPolarHBondContact O-CB 3.39Å; I352-M355 PolarHBondContact O-N 3.07Å; I352-M355 VanDerWaalsContact O-N 3.08Å; I352-F356 HydrophobicContact CG2-CD2 4.08Å; I352-F356 HydrophobicContact CG2-CE2 4.44Å; I352-F356 WeakPolarHBondContact O-CD2 3.31Å; I352-F356 PolarHBondContact O-N 2.75Å; I352-L361 HydrophobicContact CG2-CD1 3.79Å
353R95.8Very high94.4Very high117 Ų11752.6 Ų52.644%0.44226%0.255SS..Hα-helixtrans-62.6-36.8175.5-175.3173.2-76.6111.4-3.6112.3Q349 Q350 M355 F356 P357 L361Q349-R353 WeakPolarHBondContact O-CB 3.49Å; Q349-R353 PolarHBondContact O-N 2.91Å; Q350-R353 PolarHBondContact O-N 3.14Å; Q350-R353 VanDerWaalsContact O-N 3.14Å; R353-M355 VanDerWaalsContact C-N 3.25Å; R353-M355 PolarHBondContact O-N 2.82Å; R353-F356 CarbonylContact O-C 3.49Å; R353-F356 PolarHBondContact O-N 3.02Å; R353-P357 WeakPolarHBondContact O-CA 3.28Å; R353-L361 HydrophobicContact CB-CD2 4.45Å
354E95.8Very high93.9Very high115 Ų11557.7 Ų57.754%0.53729%0.291SS..Hα-helixtrans-64.2-29.3173.8-72.1167.4-171.900112.5Q350 M351 I352Q350-E354 WeakPolarHBondContact CG-OE1 3.48Å; Q350-E354 PolarHBondContact NE2-OE1 2.78Å; Q350-E354 WeakPolarHBondContact O-CG 3.22Å; Q350-E354 PolarHBondContact O-N 3.07Å; M351-E354 PolarHBondContact O-N 3.18Å; I352-E354 VanDerWaalsContact C-N 3.31Å; I352-E354 PolarHBondContact O-N 3.24Å
355M95.4Very high93.6Very high27 Ų2754.8 Ų54.813%0.13329%0.285CS..Hα-helixtrans-77.1-23.1174.5-67.4-178.56500113.4I316 I319 R320 M351 I352 R353I316-M355 HydrophobicContact CB-SD 4.09Å; I316-M355 HydrophobicContact CD1-SD 4Å; I319-M355 HydrophobicContact CB-CE 3.85Å; I319-M355 HydrophobicContact CD1-CE 4.37Å; I319-M355 HydrophobicContact CD1-SD 4.14Å; I319-M355 HydrophobicContact CG2-CE 3.59Å; R320-M355 HydrophobicContact CG-CE 3.75Å; M351-M355 WeakPolarHBondContact O-CG 3.42Å; M351-M355 PolarHBondContact O-N 2.87Å; I352-M355 WeakPolarHBondContact O-CB 3.39Å; I352-M355 PolarHBondContact O-N 3.07Å; I352-M355 VanDerWaalsContact O-N 3.08Å; R353-M355 VanDerWaalsContact C-N 3.25Å; R353-M355 PolarHBondContact O-N 2.82Å
356F95.6Very high93.5Very high4 Ų456.6 Ų56.62%0.01830%0.297CS..SBendtrans-136.465.1-173-61.1-72.9000110.5L198 I319 L323 A330 I333 V336 I352 R353 D358 I359L198-F356 HydrophobicContact CD1-CZ 4.08Å; I319-F356 HydrophobicContact CG2-CE2 3.87Å; I319-F356 HydrophobicContact CG2-CZ 3.66Å; L323-F356 HydrophobicContact CD1-CE1 4.25Å; L323-F356 HydrophobicContact CD1-CZ 4.16Å; A330-F356 HydrophobicContact CB-CD1 4.06Å; A330-F356 HydrophobicContact CB-CE1 3.89Å; I333-F356 HydrophobicContact CB-CE1 4.21Å; I333-F356 HydrophobicContact CG1-CE1 4.06Å; V336-F356 HydrophobicContact CG2-CB 4.42Å; V336-F356 HydrophobicContact CG2-CD1 4.42Å; V336-F356 HydrophobicContact CG2-CD2 3.87Å; V336-F356 HydrophobicContact CG2-CE2 4.16Å; V336-F356 HydrophobicContact CG2-CG 4.01Å; I352-F356 HydrophobicContact CG2-CD2 4.08Å; I352-F356 HydrophobicContact CG2-CE2 4.44Å; I352-F356 WeakPolarHBondContact O-CD2 3.31Å; I352-F356 PolarHBondContact O-N 2.75Å; R353-F356 CarbonylContact O-C 3.49Å; R353-F356 PolarHBondContact O-N 3.02Å; F356-D358 PolarHBondContact O-N 2.86Å; F356-I359 HydrophobicContact CB-CB 4.01Å; F356-I359 HydrophobicContact CB-CD1 3.9Å; F356-I359 HydrophobicContact CB-CG1 4.49Å; F356-I359 HydrophobicContact CD1-CD1 3.53Å; F356-I359 HydrophobicContact CE1-CD1 4.49Å; F356-I359 HydrophobicContact CG-CD1 4.15Å; F356-I359 PolarHBondContact O-N 3.19Å
357P91.1Very high93.4Very high97 Ų9755.2 Ų55.263%0.6329%0.288SS*.THydrogen-bonded Turntrans-64.9-35.5-167.924.4-34.4000114R353R353-P357 WeakPolarHBondContact O-CA 3.28Å
358D90.6Very high93.3Very high161 Ų16153.1 Ų53.186%0.86128%0.282SS*.THydrogen-bonded Turntrans-98.16.6-176-56.8-52.1000113.2F356F356-D358 PolarHBondContact O-N 2.86Å
359I93.5Very high93.4Very high32 Ų3253.6 Ų53.616%0.16429%0.285CS..SBendtrans-110.3137.5-172.3-66157.1000110.1A330 I333 V336 F356 L361A330-I359 WeakPolarHBondContact O-CD1 3.19Å; I333-I359 HydrophobicContact CB-CD1 4.19Å; I333-I359 WeakPolarHBondContact O-CD1 3.45Å; I333-I359 VanDerWaalsContact O-CG1 3.28Å; I333-I359 WeakPolarHBondContact O-CG1 3.24Å; V336-I359 HydrophobicContact CG2-CG2 3.95Å; F356-I359 HydrophobicContact CB-CB 4.01Å; F356-I359 HydrophobicContact CB-CD1 3.9Å; F356-I359 HydrophobicContact CB-CG1 4.49Å; F356-I359 HydrophobicContact CD1-CD1 3.53Å; F356-I359 HydrophobicContact CE1-CD1 4.49Å; F356-I359 HydrophobicContact CG-CD1 4.15Å; F356-I359 PolarHBondContact O-N 3.19Å; I359-L361 PolarHBondContact O-N 3.21Å
360E90.5Very high93.5Very high109 Ų10951.9 Ų51.951%0.50928%0.277SS..EExtended strand (participates in β ladder)trans-65.4120.9176.7-172-176.3-163.400111K335 V336 L362K335-E360 IonicContact NZ-OE2 3.05Å; V336-E360 PolarHBondContact N-O 3.22Å; E360-L362 HydrophobicContact CG-CD2 4.03Å; E360-L362 WeakPolarHBondContact OE1-CD2 3.16Å
361L93.8Very high93.5Very high18 Ų1847.9 Ų47.99%0.09426%0.258CS..EExtended strand (participates in β ladder)trans-94.2101.2172.3-164.668000108.8V336 L338 I352 R353 I359 N363V336-L361 HydrophobicContact CB-CD1 3.57Å; V336-L361 HydrophobicContact CG1-CD1 3.4Å; V336-L361 VanDerWaalsContact CG1-CD1 3.4Å; V336-L361 CarbonylContact O-C 3.43Å; L338-L361 HydrophobicContact CD1-CD1 4.18Å; L338-L361 HydrophobicContact CD1-CD2 3.9Å; L338-L361 HydrophobicContact CD1-CG 4.01Å; L338-L361 HydrophobicContact CD2-CD1 3.98Å; L338-L361 HydrophobicContact CG-CD1 3.9Å; L338-L361 HydrophobicContact CG-CG 4.12Å; I352-L361 HydrophobicContact CG2-CD1 3.79Å; R353-L361 HydrophobicContact CB-CD2 4.45Å; I359-L361 PolarHBondContact O-N 3.21Å; L361-N363 PolarHBondContact O-N 2.93Å; L361-N363 VanDerWaalsContact O-N 3.14Å; L361-N363 PolarHBondContact O-OD1 3.05Å
362L92Very high93.6Very high15 Ų1547.4 Ų47.48%0.07926%0.256CS..EExtended strand (participates in β ladder)trans-71.6106.5-178.3-66.2175.3000110.4Y184 V186 K335 V336 V337 L338 E360Y184-L362 HydrophobicContact CD1-CB 4.11Å; Y184-L362 HydrophobicContact CD1-CD2 4.45Å; Y184-L362 HydrophobicContact CD2-CB 4.24Å; Y184-L362 HydrophobicContact CD2-CD1 4.34Å; Y184-L362 HydrophobicContact CE1-CB 4.1Å; Y184-L362 HydrophobicContact CE2-CB 4.25Å; Y184-L362 HydrophobicContact CG-CB 4.18Å; Y184-L362 HydrophobicContact CG-CD1 4.04Å; Y184-L362 PolarHBondContact OH-O 3.19Å; V186-L362 HydrophobicContact CG2-CD1 3.46Å; V186-L362 VanDerWaalsContact CG2-CD1 3.46Å; K335-L362 HydrophobicContact CB-CD1 4.33Å; K335-L362 HydrophobicContact CD-CD1 4.03Å; V336-L362 PolarHBondContact O-N 2.72Å; V337-L362 HydrophobicContact CG2-CB 4.28Å; V337-L362 HydrophobicContact CG2-CD1 3.69Å; L338-L362 PolarHBondContact N-O 3Å; E360-L362 HydrophobicContact CG-CD2 4.03Å; E360-L362 WeakPolarHBondContact OE1-CD2 3.16Å
363N85.4Confident93.6Very high71 Ų7148.1 Ų48.138%0.3826%0.26SS..  trans-141.418.6-177.570.8-10000113.4L361 A365L361-N363 PolarHBondContact O-N 2.93Å; L361-N363 VanDerWaalsContact O-N 3.14Å; L361-N363 PolarHBondContact O-OD1 3.05Å; N363-A365 VanDerWaalsContact C-N 3.31Å; N363-A365 PolarHBondContact O-N 3.38Å
364S85.6Confident93.6Very high108 Ų10842.5 Ų42.576%0.75524%0.239SC*.SBendtrans-68.1-29.3-179.358.40000113.3Y184Y184-S364 VanDerWaalsContact CE1-OG 3.32Å; Y184-S364 WeakPolarHBondContact CE1-OG 3.5Å
365A89.6Confident93.7Very high24 Ų2437 Ų3720%0.19821%0.213CC..SBendtrans-95.8149.5168.700000111.4Y184 N363 V370Y184-A365 HydrophobicContact CE1-CB 4.18Å; Y184-A365 PolarHBondContact OH-O 3.28Å; N363-A365 VanDerWaalsContact C-N 3.31Å; N363-A365 PolarHBondContact O-N 3.38Å; A365-V370 HydrophobicContact CB-CG2 4.04Å
366P93.8Very high93.7Very high42 Ų4235.8 Ų35.827%0.27321%0.207SC..  trans-63.2130.4177.3-15.528.1000112.3D368 E369 V370P366-D368 VanDerWaalsContact C-N 3.32Å; P366-D368 PolarHBondContact O-N 3.44Å; P366-D368 VanDerWaalsContact O-N 3.14Å; P366-E369 HydrophobicContact CB-CB 4.39Å; P366-E369 HydrophobicContact CB-CG 4.17Å; P366-E369 HydrophobicContact CG-CG 4.44Å; P366-E369 WeakPolarHBondContact O-CB 3.48Å; P366-E369 PolarHBondContact O-N 2.91Å; P366-V370 PolarHBondContact O-N 3.48Å
367P95.4Very high93.6Very high8 Ų837.3 Ų37.35%0.05222%0.215CC..THydrogen-bonded Turntrans-58-31.9-168.3-30.635.7000116.9C339 G340 R344 E369C339-P367 CarbonylContact C-O 3.58Å; C339-P367 VanDerWaalsContact CA-O 3.24Å; C339-P367 WeakPolarHBondContact CA-O 3.39Å; G340-P367 PolarHBondContact N-O 2.87Å; G340-P367 WeakPolarHBondContact O-CB 3.19Å; R344-P367 HydrophobicContact CG-CB 4.43Å; R344-P367 HydrophobicContact CG-CG 3.93Å; P367-E369 VanDerWaalsContact C-N 3.29Å
368D94.3Very high93.6Very high33 Ų3333.8 Ų33.818%0.17619%0.19CC..THydrogen-bonded Turntrans-73.9-15.7175.445.9-14.3000114.1V38 R344 P366V38-D368 HydrophobicContact CG2-CB 4.19Å; R344-D368 IonicContact CZ-OD1 2.74Å; R344-D368 IonicContact CZ-OD2 2.66Å; R344-D368 IonicContact NE-OD1 2.74Å; R344-D368 PolarHBondContact NE-OD1 2.85Å; R344-D368 IonicContact NE-OD2 3.45Å; R344-D368 PolarHBondContact NE-OD2 2.92Å; R344-D368 IonicContact NH2-OD1 3.74Å; R344-D368 PolarHBondContact NH2-OD1 3.39Å; R344-D368 IonicContact NH2-OD2 3.53Å; R344-D368 PolarHBondContact NH2-OD2 3.3Å; P366-D368 VanDerWaalsContact C-N 3.32Å; P366-D368 PolarHBondContact O-N 3.44Å; P366-D368 VanDerWaalsContact O-N 3.14Å
369E96.9Very high93.7Very high11 Ų1126.1 Ų26.15%0.05115%0.149CC..THydrogen-bonded Turntrans-98.3-30.4-179.3-64.9-178-157.100112.3V29 R37 P366 P367 I371 A372 V373V29-E369 HydrophobicContact CB-CB 4.46Å; V29-E369 HydrophobicContact CB-CG 4.22Å; V29-E369 HydrophobicContact CG1-CG 4.3Å; V29-E369 HydrophobicContact CG2-CB 3.69Å; V29-E369 HydrophobicContact CG2-CG 3.91Å; R37-E369 WeakPolarHBondContact CD-OE1 3.46Å; R37-E369 IonicContact CZ-OE1 2.71Å; R37-E369 IonicContact CZ-OE2 2.82Å; R37-E369 IonicContact NE-OE1 3.19Å; R37-E369 PolarHBondContact NE-OE1 3.14Å; R37-E369 IonicContact NE-OE2 2.78Å; R37-E369 PolarHBondContact NE-OE2 3.24Å; R37-E369 IonicContact NH2-OE1 2.74Å; R37-E369 IonicContact NH2-OE2 3.73Å; R37-E369 PolarHBondContact NH2-OE2 2.96Å; P366-E369 HydrophobicContact CB-CB 4.39Å; P366-E369 HydrophobicContact CB-CG 4.17Å; P366-E369 HydrophobicContact CG-CG 4.44Å; P366-E369 WeakPolarHBondContact O-CB 3.48Å; P366-E369 PolarHBondContact O-N 2.91Å; P367-E369 VanDerWaalsContact C-N 3.29Å; E369-I371 VanDerWaalsContact C-N 3.28Å; E369-I371 PolarHBondContact O-N 3.04Å; E369-I371 VanDerWaalsContact O-N 3.08Å; E369-A372 PolarHBondContact O-N 3.02Å; E369-V373 WeakPolarHBondContact O-CG2 3.42Å; E369-V373 PolarHBondContact O-N 3.37Å
370V97.6Very high93.4Very high0 Ų025 Ų250%015%0.145CC..Hα-helixtrans-42.6-49.1-175.6166.30000113.3A180 A183 Y184 V337 C339 A365 P366 A372 V373 G374A180-V370 HydrophobicContact CB-CG1 3.83Å; A183-V370 HydrophobicContact CB-CG1 3.96Å; A183-V370 WeakPolarHBondContact CB-O 3.17Å; Y184-V370 HydrophobicContact CD2-CG1 4.48Å; Y184-V370 HydrophobicContact CE2-CB 4.5Å; Y184-V370 HydrophobicContact CE2-CG1 3.81Å; Y184-V370 HydrophobicContact CE2-CG2 3.8Å; Y184-V370 VanDerWaalsContact OH-CG2 3.25Å; Y184-V370 WeakPolarHBondContact OH-CG2 3.42Å; V337-V370 HydrophobicContact CG1-CG1 4.41Å; C339-V370 HydrophobicContact CB-CB 4.12Å; C339-V370 HydrophobicContact CB-CG1 4Å; A365-V370 HydrophobicContact CB-CG2 4.04Å; P366-V370 PolarHBondContact O-N 3.48Å; V370-A372 PolarHBondContact O-N 3.35Å; V370-V373 PolarHBondContact O-N 2.75Å; V370-G374 PolarHBondContact O-N 3.22Å
371I97.8Very high93.2Very high2 Ų223.6 Ų23.61%0.0114%0.14CC..Hα-helixtrans-69.1-38-174.8-60.3171.3000111.5H11 T146 E176 A179 K201 C339 E369 A375H11-I371 HydrophobicContact CB-CB 4.18Å; H11-I371 HydrophobicContact CB-CG2 3.95Å; H11-I371 WeakPolarHBondContact ND1-CG2 3.33Å; T146-I371 HydrophobicContact CG2-CG2 3.46Å; T146-I371 VanDerWaalsContact CG2-CG2 3.46Å; E176-I371 HydrophobicContact CB-CD1 4.27Å; E176-I371 HydrophobicContact CB-CG2 4.26Å; E176-I371 HydrophobicContact CG-CG2 4.1Å; A179-I371 HydrophobicContact CB-CG2 4.21Å; K201-I371 HydrophobicContact CD-CD1 3.9Å; K201-I371 HydrophobicContact CG-CD1 4.47Å; C339-I371 HydrophobicContact CB-CD1 4.25Å; C339-I371 HydrophobicContact CB-CG1 4.09Å; E369-I371 VanDerWaalsContact C-N 3.28Å; E369-I371 PolarHBondContact O-N 3.04Å; E369-I371 VanDerWaalsContact O-N 3.08Å; I371-A375 PolarHBondContact O-N 2.83Å; I371-A375 VanDerWaalsContact O-N 3.11Å
372A98.3Very high92.8Very high0 Ų023.9 Ų23.90%014%0.142CC..Hα-helixtrans-70-41.7177.600000111.1H11 C18 A20 V29 E369 V370 G374 A375 A376H11-A372 HydrophobicContact CB-CB 3.95Å; C18-A372 HydrophobicContact CB-CB 4.01Å; A20-A372 HydrophobicContact CB-CB 4.09Å; A20-A372 WeakPolarHBondContact CB-O 3.3Å; V29-A372 HydrophobicContact CG2-CB 4.29Å; E369-A372 PolarHBondContact O-N 3.02Å; V370-A372 PolarHBondContact O-N 3.35Å; A372-G374 PolarHBondContact O-N 2.82Å; A372-A375 WeakPolarHBondContact O-CB 3.12Å; A372-A375 PolarHBondContact O-N 2.81Å; A372-A376 PolarHBondContact O-N 3.04Å
373V97.6Very high92.3Very high16 Ų1624.1 Ų24.110%0.09714%0.144CC..Hα-helixtrans-56.5-49.7174.61740000110.6A27 V29 A183 E369 V370 A375 A376 M377A27-V373 HydrophobicContact CB-CG1 3.95Å; V29-V373 HydrophobicContact CG2-CG2 3.91Å; A183-V373 HydrophobicContact CB-CB 4.21Å; A183-V373 HydrophobicContact CB-CG1 4.09Å; E369-V373 WeakPolarHBondContact O-CG2 3.42Å; E369-V373 PolarHBondContact O-N 3.37Å; V370-V373 PolarHBondContact O-N 2.75Å; V373-A375 VanDerWaalsContact C-N 3.32Å; V373-A375 PolarHBondContact O-N 3.18Å; V373-A376 PolarHBondContact O-N 3.45Å; V373-A376 VanDerWaalsContact O-N 3.09Å; V373-M377 HydrophobicContact CG1-SD 4.24Å; V373-M377 WeakPolarHBondContact O-CG 3.2Å; V373-M377 PolarHBondContact O-N 3.32Å
374G95.6Very high91.5Very high0 Ų022.4 Ų22.40%014%0.143CC..Hα-helixtrans-61.1-37.9177.700000114.1A179 V370 A372 A376 M377 E378A179-G374 VanDerWaalsContact O-CA 3.24Å; A179-G374 WeakPolarHBondContact O-CA 3.49Å; V370-G374 PolarHBondContact O-N 3.22Å; A372-G374 PolarHBondContact O-N 2.82Å; G374-A376 VanDerWaalsContact C-N 3.35Å; G374-M377 PolarHBondContact O-N 2.83Å; G374-E378 PolarHBondContact O-N 2.97Å
375A97.3Very high90.1Very high0 Ų023.8 Ų23.80%013%0.132CC..Hα-helixtrans-64.6-39.1173.200000112.1V144 T146 I174 I371 A372 V373 E378 A379V144-A375 WeakPolarHBondContact CB-O 3.26Å; V144-A375 HydrophobicContact CG1-CB 4.21Å; T146-A375 HydrophobicContact CG2-CB 3.65Å; I174-A375 HydrophobicContact CG2-CB 4.49Å; I371-A375 PolarHBondContact O-N 2.83Å; I371-A375 VanDerWaalsContact O-N 3.11Å; A372-A375 WeakPolarHBondContact O-CB 3.12Å; A372-A375 PolarHBondContact O-N 2.81Å; V373-A375 VanDerWaalsContact C-N 3.32Å; V373-A375 PolarHBondContact O-N 3.18Å; A375-E378 PolarHBondContact O-N 3.11Å; A375-A379 WeakPolarHBondContact O-CB 3.4Å; A375-A379 PolarHBondContact O-N 3.2Å
376A96.4Very high88Confident0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-68.8-37.1177.500000111.4A20 F22 A27 A372 V373 G374 A379 G380A20-A376 HydrophobicContact CB-CB 3.7Å; F22-A376 HydrophobicContact CB-CB 4.35Å; F22-A376 WeakPolarHBondContact CB-O 3.46Å; A27-A376 HydrophobicContact CB-CB 3.86Å; A372-A376 PolarHBondContact O-N 3.04Å; V373-A376 PolarHBondContact O-N 3.45Å; V373-A376 VanDerWaalsContact O-N 3.09Å; G374-A376 VanDerWaalsContact C-N 3.35Å; A376-A379 PolarHBondContact O-N 3.12Å; A376-G380 PolarHBondContact O-N 2.91Å
377M92.1Very high85.7Confident36 Ų3628.4 Ų28.418%0.17716%0.157CC..Hα-helixtrans-61.3-46172.5-67.3179105.800111.5A27 N185 V373 G374 A379 G380 L381A27-M377 HydrophobicContact CB-CG 3.54Å; N185-M377 VanDerWaalsContact OD1-CE 3.23Å; N185-M377 WeakPolarHBondContact OD1-CE 3.33Å; V373-M377 HydrophobicContact CG1-SD 4.24Å; V373-M377 WeakPolarHBondContact O-CG 3.2Å; V373-M377 PolarHBondContact O-N 3.32Å; G374-M377 PolarHBondContact O-N 2.83Å; M377-A379 VanDerWaalsContact C-N 3.32Å; M377-A379 PolarHBondContact O-N 2.81Å; M377-G380 PolarHBondContact O-N 3.5Å; M377-L381 WeakPolarHBondContact O-CG 3.25Å; M377-L381 PolarHBondContact O-N 3.11Å
378E90.5Very high83Confident24 Ų2435.4 Ų35.411%0.11219%0.194CC..Hα-helixtrans-58.6-43.8173.4-178.268.4-177.700111.5V144 R172 I174 L182 G374 A375 G380 L381 L382V144-E378 HydrophobicContact CG1-CB 4.22Å; V144-E378 HydrophobicContact CG1-CG 4.06Å; V144-E378 HydrophobicContact CG2-CB 4.43Å; V144-E378 HydrophobicContact CG2-CG 4.11Å; R172-E378 WeakPolarHBondContact CD-OE1 3.49Å; R172-E378 IonicContact CZ-OE1 2.99Å; R172-E378 IonicContact NE-OE1 3.11Å; R172-E378 IonicContact NH1-OE1 2.75Å; R172-E378 PolarHBondContact NH1-OE1 3.29Å; I174-E378 HydrophobicContact CD1-CB 4.35Å; I174-E378 HydrophobicContact CD1-CG 4.2Å; L182-E378 HydrophobicContact CD1-CB 3.92Å; G374-E378 PolarHBondContact O-N 2.97Å; A375-E378 PolarHBondContact O-N 3.11Å; E378-G380 VanDerWaalsContact C-N 3.34Å; E378-G380 PolarHBondContact O-N 2.84Å; E378-L381 WeakPolarHBondContact O-CB 3.3Å; E378-L381 PolarHBondContact O-N 2.87Å; E378-L382 HydrophobicContact CG-CD1 4.36Å; E378-L382 WeakPolarHBondContact O-CG 3.48Å; E378-L382 PolarHBondContact O-N 2.96Å; E378-L382 VanDerWaalsContact O-N 3.1Å
379A92.7Very high80.2Confident0 Ų037.4 Ų37.40%022%0.215CC..Hα-helixtrans-61.7-42.3177.900000111.8A7 V144 A375 A376 M377 L381 L382 V383A7-A379 HydrophobicContact CB-CB 3.54Å; V144-A379 HydrophobicContact CB-CB 3.98Å; V144-A379 HydrophobicContact CG2-CB 3.6Å; A375-A379 WeakPolarHBondContact O-CB 3.4Å; A375-A379 PolarHBondContact O-N 3.2Å; A376-A379 PolarHBondContact O-N 3.12Å; M377-A379 VanDerWaalsContact C-N 3.32Å; M377-A379 PolarHBondContact O-N 2.81Å; A379-L381 VanDerWaalsContact C-N 3.33Å; A379-L381 PolarHBondContact O-N 3.28Å; A379-L382 PolarHBondContact O-N 2.95Å; A379-V383 WeakPolarHBondContact O-CG2 3.46Å; A379-V383 PolarHBondContact O-N 2.87Å
380G89.1Confident77.6Confident7 Ų744.6 Ų44.67%0.07225%0.252CS..Hα-helixtrans-60.8-38.8174.500000113.2F22 A376 M377 E378 L382 G384F22-G380 VanDerWaalsContact CD1-CA 3.46Å; A376-G380 PolarHBondContact O-N 2.91Å; M377-G380 PolarHBondContact O-N 3.5Å; E378-G380 VanDerWaalsContact C-N 3.34Å; E378-G380 PolarHBondContact O-N 2.84Å; G380-L382 VanDerWaalsContact C-N 3.33Å; G380-L382 PolarHBondContact O-N 2.95Å; G380-G384 PolarHBondContact O-N 3.24Å
381L85.3Confident75Confident80 Ų8052.9 Ų52.942%0.41929%0.291SS..Hα-helixtrans-65.9-33.6175.3-68.6172.9000112.7M377 E378 A379 R385M377-L381 WeakPolarHBondContact O-CG 3.25Å; M377-L381 PolarHBondContact O-N 3.11Å; E378-L381 WeakPolarHBondContact O-CB 3.3Å; E378-L381 PolarHBondContact O-N 2.87Å; A379-L381 VanDerWaalsContact C-N 3.33Å; A379-L381 PolarHBondContact O-N 3.28Å; L381-R385 WeakPolarHBondContact O-CD 3.35Å; L381-R385 VanDerWaalsContact O-CG 3.26Å; L381-R385 WeakPolarHBondContact O-CG 3.48Å
382L84.6Confident72.5Confident24 Ų2462.3 Ų62.313%0.12634%0.335CS..Hα-helixtrans-76.8-48.2178.6-66.7172.6000111.8V144 L171 R172 E378 A379 G380 G384 R385 D386V144-L382 HydrophobicContact CG2-CD1 3.78Å; L171-L382 HydrophobicContact CB-CD1 3.86Å; L171-L382 HydrophobicContact CD1-CB 3.98Å; L171-L382 HydrophobicContact CD1-CD1 4.38Å; R172-L382 HydrophobicContact CB-CD1 3.7Å; E378-L382 HydrophobicContact CG-CD1 4.36Å; E378-L382 WeakPolarHBondContact O-CG 3.48Å; E378-L382 PolarHBondContact O-N 2.96Å; E378-L382 VanDerWaalsContact O-N 3.1Å; A379-L382 PolarHBondContact O-N 2.95Å; G380-L382 VanDerWaalsContact C-N 3.33Å; G380-L382 PolarHBondContact O-N 2.95Å; L382-G384 VanDerWaalsContact C-N 3.26Å; L382-G384 PolarHBondContact O-N 2.85Å; L382-R385 CarbonylContact O-C 3.55Å; L382-R385 WeakPolarHBondContact O-CA 3.31Å; L382-R385 WeakPolarHBondContact O-CB 3.49Å; L382-R385 PolarHBondContact O-N 2.84Å; L382-D386 PolarHBondContact O-N 3.39Å
383V83.3Confident70Confident20 Ų2066 Ų6612%0.12135%0.352CS..Hα-helixtrans-64.4-33.5177.2175.30000111.6M5 A7 D142 L171 A379 R385 D386M5-V383 HydrophobicContact CB-CG1 4.2Å; M5-V383 HydrophobicContact CG-CG1 4.22Å; A7-V383 HydrophobicContact CB-CB 4.49Å; A7-V383 HydrophobicContact CB-CG2 3.83Å; D142-V383 HydrophobicContact CB-CG2 3.96Å; L171-V383 HydrophobicContact CD1-CG2 3.75Å; A379-V383 WeakPolarHBondContact O-CG2 3.46Å; A379-V383 PolarHBondContact O-N 2.87Å; V383-R385 PolarHBondContact O-N 3.27Å; V383-D386 PolarHBondContact O-N 2.91Å
384G67Low67.1Low35 Ų3569.6 Ų69.636%0.36138%0.378SS..Hα-helixtrans-63.7-16.7171.100000114.4G380 L382G380-G384 PolarHBondContact O-N 3.24Å; L382-G384 VanDerWaalsContact C-N 3.26Å; L382-G384 PolarHBondContact O-N 2.85Å
385R57.3Low64.4Low137 Ų13776.8 Ų76.852%0.51742%0.422SS..Hα-helixtrans-103.5-27.6178.5-70.4174.9-175.8-166.53.8113.5L381 L382 V383 S387 L388L381-R385 WeakPolarHBondContact O-CD 3.35Å; L381-R385 VanDerWaalsContact O-CG 3.26Å; L381-R385 WeakPolarHBondContact O-CG 3.48Å; L382-R385 CarbonylContact O-C 3.55Å; L382-R385 WeakPolarHBondContact O-CA 3.31Å; L382-R385 WeakPolarHBondContact O-CB 3.49Å; L382-R385 PolarHBondContact O-N 2.84Å; V383-R385 PolarHBondContact O-N 3.27Å; R385-S387 PolarHBondContact O-N 3Å; R385-S387 VanDerWaalsContact O-N 3.14Å; R385-L388 PolarHBondContact O-N 3.26Å
386D45.8Very low62Low82 Ų8279.2 Ų79.244%0.43944%0.442SS..Hα-helixtrans-65.8-11.3-179.6-86.4-19.4000114.4L382 V383 L388L382-D386 PolarHBondContact O-N 3.39Å; V383-D386 PolarHBondContact O-N 2.91Å; D386-L388 PolarHBondContact O-N 3.47Å
387S44.2Very low60Low82 Ų8284.5 Ų84.557%0.57347%0.474SS*.THydrogen-bonded Turntrans-69.1-4.6166.352.30000113.8R385R385-S387 PolarHBondContact O-N 3Å; R385-S387 VanDerWaalsContact O-N 3.14Å
388L39.7Very low59.1Low155 Ų15586.3 Ų86.381%0.81248%0.484SS*.SBendtrans-125-8.1-173.8-72.9169.6000117R385 D386R385-L388 PolarHBondContact O-N 3.26Å; D386-L388 PolarHBondContact O-N 3.47Å
389A36.2Very low58.5Low75 Ų7589 Ų8962%0.6250%0.502SS*.  trans-171.6112.8169.100000112.4
390L40.8Very low57.9Low161 Ų16189.1 Ų89.184%0.84350%0.503SS*.  trans-77.3120.1157.5-73.9161000107.7
391E44.1Very low57.6Low174 Ų17493 Ų9381%0.81353%0.534SS*.  trans-162.9131.7144.5-107165.4-144.600110R485E391-R485 PolarHBondContact O-NH1 2.88Å
392E44.5Very low57.6Low200 Ų20089.6 Ų89.694%0.93552%0.518SS*.  trans-55.3145.6-172.7-61.2176.5156.400112.2
393E45.3Very low57.8Low78 Ų7889.3 Ų89.336%0.36452%0.517SS..  trans-134.8123.3172.3-129.8-179-142.800115.2R485E393-R485 VanDerWaalsContact CD-NH2 3.34Å; E393-R485 WeakPolarHBondContact OE1-CD 3.4Å; E393-R485 WeakPolarHBondContact OE1-CG 3.39Å; E393-R485 IonicContact OE1-CZ 2.68Å; E393-R485 IonicContact OE1-NE 2.63Å; E393-R485 PolarHBondContact OE1-NE 2.68Å; E393-R485 IonicContact OE1-NH1 3.91Å; E393-R485 IonicContact OE1-NH2 3.59Å; E393-R485 IonicContact OE2-CZ 2.64Å; E393-R485 IonicContact OE2-NE 2.83Å; E393-R485 PolarHBondContact OE2-NE 3.19Å; E393-R485 IonicContact OE2-NH1 2.7Å; E393-R485 IonicContact OE2-NH2 3.52Å; E393-R485 PolarHBondContact OE2-NH2 3.07Å
394S36.9Very low58.2Low92 Ų9288.6 Ų88.664%0.64351%0.512SS*.  trans-50.9152.9156.947.10000113.3A396S394-A396 PolarHBondContact O-N 2.87Å
395V39.4Very low59.4Low150 Ų15087 Ų8791%0.90950%0.495SS*.SBendtrans-76.460.7179-1700000111.4
396A47.8Very low60.9Low51 Ų5180.5 Ų80.542%0.42147%0.471SS..  trans-125.8127.7164.400000107.1S394 D398S394-A396 PolarHBondContact O-N 2.87Å; A396-D398 PolarHBondContact O-N 3.41Å
397V54.3Low63Low111 Ų11178.5 Ų78.567%0.67346%0.458SS*.  trans-86.8100.3172.7178.30000106.2V399 P426V397-V399 HydrophobicContact CG1-CG1 4.43Å; V397-P426 HydrophobicContact CG1-CB 3.76Å; V397-P426 HydrophobicContact CG1-CG 4.38Å
398D72.4Confident64.8Low75 Ų7576.6 Ų76.640%0.40144%0.44SS..  trans-65.6138.9172.2-68.3-31.9000109.2A396 P426 L427A396-D398 PolarHBondContact O-N 3.41Å; D398-P426 CarbonylContact O-C 3.58Å; D398-P426 WeakPolarHBondContact O-CA 3.12Å; D398-L427 HydrophobicContact CB-CB 4.36Å; D398-L427 PolarHBondContact O-N 3Å
399V77.3Confident66.6Low80 Ų8073.9 Ų73.949%0.48543%0.43SS..BIsolated β-bridgetrans-125.2149.3-179.6-64.80000110.2V397 A401 T425V397-V399 HydrophobicContact CG1-CG1 4.43Å; V399-A401 PolarHBondContact O-N 3.43Å; V399-T425 CarbonylContact C-O 3.54Å; V399-T425 VanDerWaalsContact CA-O 3.29Å; V399-T425 WeakPolarHBondContact CA-O 3.48Å
400S80.6Confident68.1Low3 Ų373.1 Ų73.12%0.02142%0.415CS..  trans-59.9132.8176.662.50000111.2P422 G424 T425S400-P422 PolarHBondContact OG-O 2.85Å; S400-G424 PolarHBondContact O-N 3.42Å; S400-G424 PolarHBondContact OG-N 3.02Å; S400-T425 PolarHBondContact N-O 3.25Å; S400-T425 WeakPolarHBondContact OG-CB 3.41Å; S400-T425 PolarHBondContact OG-N 3.1Å
401A82.9Confident69.3Low87 Ų8774.1 Ų74.172%0.71942%0.421SS*.SBendtrans-83.4-10.917900000113.8V399V399-A401 PolarHBondContact O-N 3.43Å
402A86.4Confident70.4Confident10 Ų1070.6 Ų70.68%0.08342%0.416CS..SBendtrans-147.1158.2-176.100000111.3Q450 V452A402-Q450 HydrophobicContact CB-CB 4.46Å; A402-V452 HydrophobicContact CB-CG2 3.88Å
403D87.6Confident71.5Confident18 Ų1863.7 Ų63.710%0.09640%0.398CS..EExtended strand (participates in β ladder)trans-68.9135.9164.4-62.9-29.4000109.3L405 V419 L421 P422 V423 Q450 R451D403-L405 HydrophobicContact CB-CD1 4.01Å; D403-L405 HydrophobicContact CB-CG 4.28Å; D403-L405 WeakPolarHBondContact O-CD1 3.31Å; D403-V419 HydrophobicContact CB-CG1 4.25Å; D403-L421 CarbonylContact C-O 3.55Å; D403-L421 VanDerWaalsContact CA-O 3.22Å; D403-L421 WeakPolarHBondContact CA-O 3.48Å; D403-P422 VanDerWaalsContact OD1-CA 3.31Å; D403-P422 WeakPolarHBondContact OD1-CA 3.4Å; D403-V423 PolarHBondContact OD1-N 3.03Å; D403-Q450 CarbonylContact O-C 3.5Å; D403-Q450 WeakPolarHBondContact O-CA 3.26Å; D403-R451 HydrophobicContact CB-CB 4.21Å; D403-R451 PolarHBondContact N-O 3.3Å; D403-R451 PolarHBondContact O-N 3.04Å; D403-R451 IonicContact OD2-CZ 2.84Å; D403-R451 IonicContact OD2-NE 3.33Å; D403-R451 PolarHBondContact OD2-NE 2.86Å; D403-R451 IonicContact OD2-NH2 2.7Å; D403-R451 PolarHBondContact OD2-NH2 3.15Å
404I91.9Very high72.9Confident4 Ų462 Ų622%0.02140%0.398CS..EExtended strand (participates in β ladder)trans-99.8125.7163.4-54.5-58.5000108.5L420 L421 V448 Y449 Q450 L460 V481 M483 V489I404-L420 PolarHBondContact O-N 3.18Å; I404-L421 HydrophobicContact CB-CB 4.04Å; I404-L421 HydrophobicContact CB-CD1 4.49Å; I404-L421 HydrophobicContact CG1-CB 4.15Å; I404-L421 HydrophobicContact CG1-CD1 4.25Å; I404-L421 PolarHBondContact N-O 2.84Å; I404-L421 PolarHBondContact O-N 3.47Å; I404-V448 HydrophobicContact CG2-CG1 3.79Å; I404-Y449 WeakPolarHBondContact CA-O 3.45Å; I404-Q450 HydrophobicContact CD1-CB 4.35Å; I404-L460 HydrophobicContact CD1-CD1 3.8Å; I404-V481 HydrophobicContact CG2-CG1 4.03Å; I404-M483 HydrophobicContact CD1-CE 3.6Å; I404-M483 HydrophobicContact CG1-CE 3.19Å; I404-V489 HydrophobicContact CD1-CG2 4.2Å
405L91.2Very high75.1Confident1 Ų163.6 Ų63.61%0.00540%0.395CS..EExtended strand (participates in β ladder)trans-121.1149.4-175.1-4594000110.9D403 F417 S418 V419 V448 Y449 R451D403-L405 HydrophobicContact CB-CD1 4.01Å; D403-L405 HydrophobicContact CB-CG 4.28Å; D403-L405 WeakPolarHBondContact O-CD1 3.31Å; L405-F417 HydrophobicContact CB-CB 4.37Å; L405-F417 HydrophobicContact CB-CD1 4.27Å; L405-F417 HydrophobicContact CD2-CB 3.81Å; L405-F417 HydrophobicContact CD2-CG 4.47Å; L405-S418 CarbonylContact C-O 3.46Å; L405-S418 WeakPolarHBondContact CA-O 3.3Å; L405-V419 HydrophobicContact CD2-CG2 3.81Å; L405-V419 HydrophobicContact CG-CG2 4.33Å; L405-V448 WeakPolarHBondContact O-CA 3.39Å; L405-Y449 PolarHBondContact N-O 3.16Å; L405-Y449 PolarHBondContact O-N 3.24Å; L405-R451 HydrophobicContact CD1-CB 3.61Å
406L89.8Confident77.3Confident1 Ų159 Ų591%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-103.4133.8165.3-162.671.9000108.7E408 F417 S418 L420 F435 L446 V448L406-E408 HydrophobicContact CD2-CG 4.32Å; L406-F417 WeakPolarHBondContact O-CA 3.46Å; L406-S418 PolarHBondContact N-O 3.28Å; L406-S418 PolarHBondContact O-N 3.21Å; L406-L420 HydrophobicContact CB-CD1 3.86Å; L406-L420 HydrophobicContact CB-CG 4.18Å; L406-F435 HydrophobicContact CD2-CD1 4.05Å; L406-F435 HydrophobicContact CD2-CE1 4.03Å; L406-L446 HydrophobicContact CD1-CD2 3.93Å; L406-L446 HydrophobicContact CD2-CD2 4.01Å; L406-L446 HydrophobicContact CG-CD2 4.26Å; L406-V448 HydrophobicContact CD1-CG2 4.26Å
407K88.8Confident79.2Confident41 Ų4160.2 Ų60.218%0.17836%0.364CS..EExtended strand (participates in β ladder)trans-83.7124.3170.6-178.5177.8174.2172.60109.2E415 F417 E447 Y449K407-E415 VanDerWaalsContact CE-OE1 3.25Å; K407-E415 WeakPolarHBondContact CE-OE1 3.49Å; K407-E415 WeakPolarHBondContact CE-OE2 3.47Å; K407-E415 IonicContact NZ-OE1 2.81Å; K407-E415 PolarHBondContact NZ-OE1 2.81Å; K407-E415 IonicContact NZ-OE2 3.8Å; K407-E415 PolarHBondContact NZ-OE2 3.45Å; K407-F417 HydrophobicContact CB-CD1 4.25Å; K407-F417 HydrophobicContact CB-CE1 3.99Å; K407-F417 HydrophobicContact CD-CE1 4.5Å; K407-F417 HydrophobicContact CG-CE1 4.22Å; K407-E447 HydrophobicContact CB-CB 4.16Å; K407-E447 PolarHBondContact N-O 3.37Å; K407-Y449 HydrophobicContact CB-CD2 3.95Å; K407-Y449 HydrophobicContact CB-CE2 3.61Å; K407-Y449 HydrophobicContact CD-CE2 3.83Å; K407-Y449 HydrophobicContact CG-CE2 4.32Å
408E83.9Confident80.8Confident41 Ų4156.5 Ų56.519%0.19234%0.342CS..EExtended strand (participates in β ladder)trans-121160.3176.7-71.7174-13300110.1L406 E415 T416 S418 H433L406-E408 HydrophobicContact CD2-CG 4.32Å; E408-E415 WeakPolarHBondContact O-CA 3.22Å; E408-T416 PolarHBondContact N-O 3.25Å; E408-T416 PolarHBondContact O-N 2.94Å; E408-S418 VanDerWaalsContact CD-OG 3.31Å; E408-S418 WeakPolarHBondContact OE1-CB 3.38Å; E408-S418 PolarHBondContact OE1-OG 3.06Å; E408-H433 IonicContact OE1-CD2 3.63Å; E408-H433 IonicContact OE1-CE1 3.85Å; E408-H433 IonicContact OE1-NE2 3.26Å; E408-H433 PolarHBondContact OE1-NE2 3.35Å; E408-H433 IonicContact OE2-NE2 2.72Å
409V76.3Confident81.6Confident98 Ų9856.1 Ų56.159%0.59434%0.342SS*.EExtended strand (participates in β ladder)trans-116.9121172.2-177.20000106.1A414V409-A414 WeakPolarHBondContact CA-O 3.42Å
410D68.1Low82Confident60 Ų6052.8 Ų52.832%0.32132%0.322SS..  trans-75.5174.7178.873.116.1000112S412 G413 A414 T416D410-S412 VanDerWaalsContact CG-OG 3.3Å; D410-S412 PolarHBondContact O-N 3.39Å; D410-S412 VanDerWaalsContact OD1-CA 3.31Å; D410-S412 WeakPolarHBondContact OD1-CA 3.43Å; D410-S412 WeakPolarHBondContact OD1-CB 3.44Å; D410-S412 PolarHBondContact OD1-N 3.33Å; D410-S412 PolarHBondContact OD1-OG 3.19Å; D410-S412 PolarHBondContact OD2-OG 2.8Å; D410-G413 PolarHBondContact O-N 3.23Å; D410-G413 PolarHBondContact OD1-N 2.98Å; D410-G413 VanDerWaalsContact OD1-N 3.13Å; D410-A414 PolarHBondContact N-O 3.48Å; D410-A414 PolarHBondContact OD1-N 3.35Å; D410-T416 HydrophobicContact CB-CG2 4.32Å
411N65.7Low82.3Confident181 Ų18152.7 Ų52.797%0.96832%0.321SS*.THydrogen-bonded Turntrans-61.6-13.1-179.6-63.8-18.6000113.9
412S67.7Low82.5Confident101 Ų10150.5 Ų50.571%0.70630%0.299SS*.THydrogen-bonded Turntrans-95.6-3.3176.776.50000113.2D410 A414D410-S412 VanDerWaalsContact CG-OG 3.3Å; D410-S412 PolarHBondContact O-N 3.39Å; D410-S412 VanDerWaalsContact OD1-CA 3.31Å; D410-S412 WeakPolarHBondContact OD1-CA 3.43Å; D410-S412 WeakPolarHBondContact OD1-CB 3.44Å; D410-S412 PolarHBondContact OD1-N 3.33Å; D410-S412 PolarHBondContact OD1-OG 3.19Å; D410-S412 PolarHBondContact OD2-OG 2.8Å; S412-A414 VanDerWaalsContact C-N 3.34Å
413G67.6Low82.4Confident54 Ų5453.3 Ų53.356%0.55732%0.316SS*.SBendtrans83.77.5-175.700000113.8D410D410-G413 PolarHBondContact O-N 3.23Å; D410-G413 PolarHBondContact OD1-N 2.98Å; D410-G413 VanDerWaalsContact OD1-N 3.13Å
414A75.3Confident81.8Confident44 Ų4454.5 Ų54.536%0.36433%0.332SS..  trans-83138.8178.100000110.9V409 D410 S412 T416V409-A414 WeakPolarHBondContact CA-O 3.42Å; D410-A414 PolarHBondContact N-O 3.48Å; D410-A414 PolarHBondContact OD1-N 3.35Å; S412-A414 VanDerWaalsContact C-N 3.34Å; A414-T416 PolarHBondContact O-N 3.14Å
415E81.7Confident81.1Confident124 Ų12454.7 Ų54.758%0.57933%0.333SS*.EExtended strand (participates in β ladder)trans-75.7121.8177-57-171.9159.700110.1K407 E408K407-E415 VanDerWaalsContact CE-OE1 3.25Å; K407-E415 WeakPolarHBondContact CE-OE1 3.49Å; K407-E415 WeakPolarHBondContact CE-OE2 3.47Å; K407-E415 IonicContact NZ-OE1 2.81Å; K407-E415 PolarHBondContact NZ-OE1 2.81Å; K407-E415 IonicContact NZ-OE2 3.8Å; K407-E415 PolarHBondContact NZ-OE2 3.45Å; E408-E415 WeakPolarHBondContact O-CA 3.22Å
416T85.8Confident80.3Confident53 Ų5358 Ų5833%0.32536%0.355SS..EExtended strand (participates in β ladder)trans-120.5154.2176.961.80000110.2E408 D410 A414E408-T416 PolarHBondContact N-O 3.25Å; E408-T416 PolarHBondContact O-N 2.94Å; D410-T416 HydrophobicContact CB-CG2 4.32Å; A414-T416 PolarHBondContact O-N 3.14Å
417F88.7Confident79.5Confident78 Ų7859 Ų5934%0.34236%0.36SS..EExtended strand (participates in β ladder)trans-117.8114177.9-69.9-82.9000110.1L405 L406 K407 Y449 P457L405-F417 HydrophobicContact CB-CB 4.37Å; L405-F417 HydrophobicContact CB-CD1 4.27Å; L405-F417 HydrophobicContact CD2-CB 3.81Å; L405-F417 HydrophobicContact CD2-CG 4.47Å; L406-F417 WeakPolarHBondContact O-CA 3.46Å; K407-F417 HydrophobicContact CB-CD1 4.25Å; K407-F417 HydrophobicContact CB-CE1 3.99Å; K407-F417 HydrophobicContact CD-CE1 4.5Å; K407-F417 HydrophobicContact CG-CE1 4.22Å; F417-Y449 HydrophobicContact CD1-CD2 4.36Å; F417-Y449 HydrophobicContact CD1-CG 4.35Å; F417-Y449 AromaticContact CE1-CD1 3.85Å; F417-Y449 HydrophobicContact CE1-CD1 3.85Å; F417-Y449 AromaticContact CE1-CD2 3.71Å; F417-Y449 HydrophobicContact CE1-CD2 3.71Å; F417-Y449 HydrophobicContact CE1-CE1 4.09Å; F417-Y449 AromaticContact CE1-CE2 3.96Å; F417-Y449 HydrophobicContact CE1-CE2 3.96Å; F417-Y449 AromaticContact CE1-CG 3.69Å; F417-Y449 HydrophobicContact CE1-CG 3.69Å; F417-Y449 HydrophobicContact CZ-CD1 4.41Å; F417-Y449 HydrophobicContact CZ-CE1 4.36Å; F417-P457 HydrophobicContact CD1-CB 4.4Å; F417-P457 HydrophobicContact CD1-CG 4.49Å; F417-P457 HydrophobicContact CD2-CG 4.3Å; F417-P457 HydrophobicContact CE1-CB 4.06Å; F417-P457 HydrophobicContact CE1-CG 4.39Å; F417-P457 HydrophobicContact CE2-CG 4.2Å; F417-P457 HydrophobicContact CG-CG 4.44Å; F417-P457 HydrophobicContact CZ-CB 4.17Å; F417-P457 HydrophobicContact CZ-CG 4.24Å
418S87.8Confident79Confident32 Ų3259.5 Ų59.522%0.22437%0.368CS..EExtended strand (participates in β ladder)trans-87.3120.3172.7-65.70000109.5L405 L406 E408 L420L405-S418 CarbonylContact C-O 3.46Å; L405-S418 WeakPolarHBondContact CA-O 3.3Å; L406-S418 PolarHBondContact N-O 3.28Å; L406-S418 PolarHBondContact O-N 3.21Å; E408-S418 VanDerWaalsContact CD-OG 3.31Å; E408-S418 WeakPolarHBondContact OE1-CB 3.38Å; E408-S418 PolarHBondContact OE1-OG 3.06Å; S418-L420 PolarHBondContact O-N 2.86Å
419V88.6Confident78.6Confident67 Ų6758.1 Ų58.141%0.40636%0.363SS..EExtended strand (participates in β ladder)trans-76.7115.7175.8-179.10000108.8D403 L405 P422D403-V419 HydrophobicContact CB-CG1 4.25Å; L405-V419 HydrophobicContact CD2-CG2 3.81Å; L405-V419 HydrophobicContact CG-CG2 4.33Å; V419-P422 HydrophobicContact CG1-CB 4.25Å
420L86.3Confident78.9Confident10 Ų1060.9 Ų60.95%0.05236%0.363CS..EExtended strand (participates in β ladder)trans-90.2-54.2179.1-61.2-173.7000111.1I404 L406 S418 R431 H433 V481I404-L420 PolarHBondContact O-N 3.18Å; L406-L420 HydrophobicContact CB-CD1 3.86Å; L406-L420 HydrophobicContact CB-CG 4.18Å; S418-L420 PolarHBondContact O-N 2.86Å; L420-R431 HydrophobicContact CB-CB 4.43Å; L420-R431 WeakPolarHBondContact O-CD 3.48Å; L420-R431 WeakPolarHBondContact O-CG 3.46Å; L420-R431 PolarHBondContact O-NE 3.32Å; L420-H433 HydrophobicContact CD2-CB 3.61Å; L420-V481 HydrophobicContact CD1-CB 4.22Å; L420-V481 HydrophobicContact CD1-CG2 3.38Å
421L85.6Confident79.4Confident1 Ų160.1 Ų60.11%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-118.5106.7176.7-66.3168.5000108.5D403 I404 T425 A429 R431 V481 M483D403-L421 CarbonylContact C-O 3.55Å; D403-L421 VanDerWaalsContact CA-O 3.22Å; D403-L421 WeakPolarHBondContact CA-O 3.48Å; I404-L421 HydrophobicContact CB-CB 4.04Å; I404-L421 HydrophobicContact CB-CD1 4.49Å; I404-L421 HydrophobicContact CG1-CB 4.15Å; I404-L421 HydrophobicContact CG1-CD1 4.25Å; I404-L421 PolarHBondContact N-O 2.84Å; I404-L421 PolarHBondContact O-N 3.47Å; L421-T425 HydrophobicContact CD2-CG2 4.09Å; L421-A429 HydrophobicContact CD2-CB 3.64Å; L421-R431 HydrophobicContact CD2-CB 4.35Å; L421-R431 HydrophobicContact CD2-CG 3.29Å; L421-R431 HydrophobicContact CG-CG 3.78Å; L421-V481 HydrophobicContact CD1-CG1 3.81Å; L421-M483 HydrophobicContact CD1-CB 3.67Å; L421-M483 HydrophobicContact CD1-CE 4.01Å
422P87.6Confident80.2Confident41 Ų4154.8 Ų54.827%0.26633%0.325SS..  trans-68157176.926.4-32.1000111.6M218 S400 D403 V419 T425M218-P422 HydrophobicContact CE-CG 4.34Å; S400-P422 PolarHBondContact OG-O 2.85Å; D403-P422 VanDerWaalsContact OD1-CA 3.31Å; D403-P422 WeakPolarHBondContact OD1-CA 3.4Å; V419-P422 HydrophobicContact CG1-CB 4.25Å; P422-T425 VanDerWaalsContact CD-OG1 3.31Å; P422-T425 WeakPolarHBondContact CD-OG1 3.4Å; P422-T425 WeakPolarHBondContact CG-OG1 3.35Å; P422-T425 WeakPolarHBondContact O-CB 3.49Å; P422-T425 PolarHBondContact O-N 3.01Å; P422-T425 PolarHBondContact O-OG1 3.13Å
423V84.3Confident81.1Confident70 Ų7052 Ų5242%0.42430%0.301SS..THydrogen-bonded Turntrans-55.2141.2168.763.30000110.6D403 T425D403-V423 PolarHBondContact OD1-N 3.03Å; V423-T425 VanDerWaalsContact C-N 3.34Å
424G74.8Confident82Confident42 Ų4252.5 Ų52.543%0.43329%0.293SS..THydrogen-bonded Turntrans82.87.3-175.900000114.4S400 P426S400-G424 PolarHBondContact O-N 3.42Å; S400-G424 PolarHBondContact OG-N 3.02Å; G424-P426 WeakPolarHBondContact O-CD 3.33Å
425T77.5Confident82.4Confident8 Ų851.6 Ų51.65%0.04928%0.281CS..PPolyproline II helixtrans-68.3122.4175.5-63.10000109.7V399 S400 L421 P422 V423 L427 A429V399-T425 CarbonylContact C-O 3.54Å; V399-T425 VanDerWaalsContact CA-O 3.29Å; V399-T425 WeakPolarHBondContact CA-O 3.48Å; S400-T425 PolarHBondContact N-O 3.25Å; S400-T425 WeakPolarHBondContact OG-CB 3.41Å; S400-T425 PolarHBondContact OG-N 3.1Å; L421-T425 HydrophobicContact CD2-CG2 4.09Å; P422-T425 VanDerWaalsContact CD-OG1 3.31Å; P422-T425 WeakPolarHBondContact CD-OG1 3.4Å; P422-T425 WeakPolarHBondContact CG-OG1 3.35Å; P422-T425 WeakPolarHBondContact O-CB 3.49Å; P422-T425 PolarHBondContact O-N 3.01Å; P422-T425 PolarHBondContact O-OG1 3.13Å; V423-T425 VanDerWaalsContact C-N 3.34Å; T425-L427 PolarHBondContact O-N 3.27Å; T425-A429 HydrophobicContact CG2-CB 3.52Å
426P74.5Confident82.6Confident72 Ų7249.9 Ų49.947%0.46828%0.283SS..BIsolated β-bridgetrans-58.6133.8175.3-25.335.9000112.4V397 D398 G424V397-P426 HydrophobicContact CG1-CB 3.76Å; V397-P426 HydrophobicContact CG1-CG 4.38Å; D398-P426 CarbonylContact O-C 3.58Å; D398-P426 WeakPolarHBondContact O-CA 3.12Å; G424-P426 WeakPolarHBondContact O-CD 3.33Å
427L73.1Confident82.4Confident20 Ų2047.8 Ų47.811%0.10527%0.271CS..SBendtrans-97.4146.1-178.8-56.3-177.9000111D398 T425 A429 M483D398-L427 HydrophobicContact CB-CB 4.36Å; D398-L427 PolarHBondContact O-N 3Å; T425-L427 PolarHBondContact O-N 3.27Å; L427-A429 HydrophobicContact CD2-CB 4.36Å; L427-M483 HydrophobicContact CD1-CG 4.36Å; L427-M483 HydrophobicContact CD1-SD 4.02Å; L427-M483 HydrophobicContact CD2-CB 3.95Å; L427-M483 HydrophobicContact CD2-CG 3.65Å; L427-M483 HydrophobicContact CD2-SD 3.43Å; L427-M483 WeakPolarHBondContact CD2-SD 3.47Å; L427-M483 HydrophobicContact CG-SD 4.38Å
428P77.6Confident82.2Confident52 Ų5249.1 Ų49.134%0.33828%0.278SS..SBendcis-77.4148.4-3.133-32.6000112.3M483 R485P428-M483 CarbonylContact C-O 3.49Å; P428-M483 VanDerWaalsContact CA-O 3.27Å; P428-M483 WeakPolarHBondContact CA-O 3.39Å; P428-M483 WeakPolarHBondContact CB-O 3.2Å; P428-R485 HydrophobicContact CB-CG 4.37Å; P428-R485 HydrophobicContact CG-CG 4.28Å
429A76.8Confident81.9Confident13 Ų1347.7 Ų47.711%0.10727%0.268CS..EExtended strand (participates in β ladder)trans-127.8146.4-17800000112L421 T425 L427 T482 M483L421-A429 HydrophobicContact CD2-CB 3.64Å; T425-A429 HydrophobicContact CG2-CB 3.52Å; L427-A429 HydrophobicContact CD2-CB 4.36Å; A429-T482 CarbonylContact O-C 3.6Å; A429-T482 VanDerWaalsContact O-CA 3.3Å; A429-T482 WeakPolarHBondContact O-CA 3.42Å; A429-M483 PolarHBondContact N-O 3.46Å; A429-M483 PolarHBondContact O-N 2.98Å
430R81.1Confident81.6Confident156 Ų15653.8 Ų53.859%0.58928%0.284SS*.EExtended strand (participates in β ladder)trans-132.6137.2175.9-177.1176.5176.6-166.3-0110.5V480 V481 T482R430-V480 HydrophobicContact CG-CG1 3.86Å; R430-V481 CarbonylContact C-O 3.49Å; R430-V481 WeakPolarHBondContact CA-O 3.44Å; R430-T482 HydrophobicContact CB-CG2 4.4Å
431R79.8Confident81.5Confident43 Ų4356.4 Ų56.416%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-128.7132.7179.3-75.8-80.2175.1-12019.6109.7G216 M218 L420 L421 V480 V481G216-R431 PolarHBondContact O-NH1 3.06Å; G216-R431 PolarHBondContact O-NH2 3.38Å; M218-R431 VanDerWaalsContact CE-NH2 3.3Å; M218-R431 VanDerWaalsContact CG-NH2 3.28Å; M218-R431 PolarHBondContact SD-NH2 3.47Å; L420-R431 HydrophobicContact CB-CB 4.43Å; L420-R431 WeakPolarHBondContact O-CD 3.48Å; L420-R431 WeakPolarHBondContact O-CG 3.46Å; L420-R431 PolarHBondContact O-NE 3.32Å; L421-R431 HydrophobicContact CD2-CB 4.35Å; L421-R431 HydrophobicContact CD2-CG 3.29Å; L421-R431 HydrophobicContact CG-CG 3.78Å; R431-V480 CarbonylContact O-C 3.56Å; R431-V480 VanDerWaalsContact O-CA 3.23Å; R431-V480 WeakPolarHBondContact O-CA 3.44Å; R431-V481 HydrophobicContact CB-CB 4.47Å; R431-V481 PolarHBondContact N-O 3.24Å; R431-V481 PolarHBondContact O-N 3.48Å
432H83.1Confident81.4Confident69 Ų6960.1 Ų60.132%0.31932%0.324SS..EExtended strand (participates in β ladder)trans-108.1131170-174.7-90.9000107.4Y190 T434 D478 A479Y190-H432 HydrophobicContact CE1-CB 4.26Å; H432-T434 PolarHBondContact CE1-OG1 3.45Å; H432-D478 IonicContact CE1-OD1 3.26Å; H432-D478 PolarHBondContact CE1-OD1 3.46Å; H432-D478 IonicContact NE2-OD1 3.75Å; H432-D478 IonicContact NE2-OD2 3.33Å; H432-A479 CarbonylContact C-O 3.2Å; H432-A479 WeakPolarHBondContact CA-O 3.34Å
433H84.9Confident81.3Confident43 Ų4360.8 Ų60.820%0.19933%0.329CS..EExtended strand (participates in β ladder)trans-137.7118.4-179-175.966.8000109.2E408 L420 F435 A479E408-H433 IonicContact OE1-CD2 3.63Å; E408-H433 IonicContact OE1-CE1 3.85Å; E408-H433 IonicContact OE1-NE2 3.26Å; E408-H433 PolarHBondContact OE1-NE2 3.35Å; E408-H433 IonicContact OE2-NE2 2.72Å; L420-H433 HydrophobicContact CD2-CB 3.61Å; H433-F435 AromaticContact CD2-CD1 3.83Å; H433-A479 PolarHBondContact N-O 2.85Å; H433-A479 PolarHBondContact O-N 3.06Å
434T86.4Confident81.4Confident64 Ų6458.5 Ų58.539%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-103.5131177.7-52.20000108.7H432 I477 D478H432-T434 PolarHBondContact CE1-OG1 3.45Å; T434-I477 VanDerWaalsContact CA-O 3.3Å; T434-I477 WeakPolarHBondContact CA-O 3.17Å; T434-D478 WeakPolarHBondContact CB-OD1 3.37Å; T434-D478 WeakPolarHBondContact CG2-OD1 3.34Å; T434-D478 PolarHBondContact OG1-OD1 2.7Å
435F84.6Confident82Confident26 Ų2659.5 Ų59.511%0.11431%0.314CS..EExtended strand (participates in β ladder)trans-140.2158.5175.565.5-80.2000110.1L406 H433 L444 L446 I477 A479L406-F435 HydrophobicContact CD2-CD1 4.05Å; L406-F435 HydrophobicContact CD2-CE1 4.03Å; H433-F435 AromaticContact CD2-CD1 3.83Å; F435-L444 HydrophobicContact CE2-CD2 3.9Å; F435-L444 HydrophobicContact CZ-CD2 3.92Å; F435-L446 HydrophobicContact CE1-CD1 4.38Å; F435-L446 HydrophobicContact CE1-CD2 3.57Å; F435-L446 HydrophobicContact CE2-CD2 3.89Å; F435-L446 HydrophobicContact CZ-CD1 3.97Å; F435-L446 HydrophobicContact CZ-CD2 3.09Å; F435-L446 HydrophobicContact CZ-CG 3.88Å; F435-I477 HydrophobicContact CD1-CB 4.48Å; F435-I477 HydrophobicContact CE1-CB 3.88Å; F435-I477 HydrophobicContact CE1-CG2 3.75Å; F435-I477 HydrophobicContact CE2-CB 4.07Å; F435-I477 HydrophobicContact CE2-CG1 4.3Å; F435-I477 HydrophobicContact CE2-CG2 4.41Å; F435-I477 HydrophobicContact CZ-CB 3.61Å; F435-I477 HydrophobicContact CZ-CG1 4.21Å; F435-I477 HydrophobicContact CZ-CG2 3.52Å; F435-I477 PolarHBondContact N-O 3.42Å; F435-I477 PolarHBondContact O-N 2.91Å; F435-A479 HydrophobicContact CE1-CB 4.08Å
436S85Confident82.5Confident88 Ų8859.4 Ų59.462%0.61531%0.313SS*.EExtended strand (participates in β ladder)trans-98.1131.3-179.1-61.20000110.7H475S436-H475 CarbonylContact C-O 3.49Å; S436-H475 WeakPolarHBondContact CA-O 3.35Å
437A82.1Confident83.3Confident9 Ų957.7 Ų57.77%0.07430%0.299CS..EExtended strand (participates in β ladder)trans-110.6152.9171.300000110.4G439 L444 N474 H475 I477A437-G439 PolarHBondContact O-N 3.18Å; A437-L444 HydrophobicContact CB-CD1 3.9Å; A437-L444 HydrophobicContact CB-CD2 4.03Å; A437-N474 CarbonylContact O-C 3.59Å; A437-N474 VanDerWaalsContact O-CA 3.27Å; A437-N474 WeakPolarHBondContact O-CA 3.46Å; A437-N474 VanDerWaalsContact O-CB 3.23Å; A437-N474 WeakPolarHBondContact O-CB 3.36Å; A437-H475 HydrophobicContact CB-CB 4.34Å; A437-H475 PolarHBondContact N-O 2.92Å; A437-H475 PolarHBondContact O-N 3.43Å; A437-I477 HydrophobicContact CB-CG1 4.24Å
438E83.8Confident84.1Confident106 Ų10656.8 Ų56.850%0.49529%0.294SS..  trans-59.6129.2-179.9-173.7-178.2174.800111.3R440 L441E438-R440 HydrophobicContact CG-CB 4.49Å; E438-R440 PolarHBondContact O-N 2.85Å; E438-R440 VanDerWaalsContact O-N 3.11Å; E438-L441 HydrophobicContact CB-CD1 4.06Å; E438-L441 HydrophobicContact CB-CG 4.12Å; E438-L441 WeakPolarHBondContact O-CB 3.48Å; E438-L441 WeakPolarHBondContact O-CG 3.39Å; E438-L441 PolarHBondContact O-N 3.06Å
439G81.9Confident84.8Confident2 Ų255.5 Ų55.52%0.02128%0.283CS..THydrogen-bonded Turntrans-62.1-19.2-174.700000115.3A437 L441 P470 S471 E473 N474 H475A437-G439 PolarHBondContact O-N 3.18Å; G439-L441 VanDerWaalsContact C-N 3.3Å; G439-L441 PolarHBondContact O-N 3.32Å; G439-P470 CarbonylContact O-C 3.52Å; G439-P470 VanDerWaalsContact O-CA 3.27Å; G439-P470 WeakPolarHBondContact O-CA 3.49Å; G439-S471 CarbonylContact C-O 3.55Å; G439-S471 WeakPolarHBondContact CA-O 3.39Å; G439-S471 PolarHBondContact O-N 3.17Å; G439-E473 WeakPolarHBondContact CA-O 3.32Å; G439-N474 PolarHBondContact N-OD1 3.38Å; G439-H475 PolarHBondContact O-NE2 2.8Å; G439-H475 VanDerWaalsContact O-NE2 3.12Å
440R83.3Confident85.5Confident195 Ų19557.5 Ų57.574%0.73629%0.29SS*.THydrogen-bonded Turntrans-81.5-9.2-179.5-65.4177.9-179.9167.40.7113.6E438 S442E438-R440 HydrophobicContact CG-CB 4.49Å; E438-R440 PolarHBondContact O-N 2.85Å; E438-R440 VanDerWaalsContact O-N 3.11Å; R440-S442 PolarHBondContact O-N 2.88Å
441L83.1Confident85.8Confident64 Ų6454 Ų5434%0.33528%0.277SS..  trans-74.9124.7-175.7-65.7173.6000111E438 G439 S443 L444 L468E438-L441 HydrophobicContact CB-CD1 4.06Å; E438-L441 HydrophobicContact CB-CG 4.12Å; E438-L441 WeakPolarHBondContact O-CB 3.48Å; E438-L441 WeakPolarHBondContact O-CG 3.39Å; E438-L441 PolarHBondContact O-N 3.06Å; G439-L441 VanDerWaalsContact C-N 3.3Å; G439-L441 PolarHBondContact O-N 3.32Å; L441-S443 VanDerWaalsContact C-N 3.32Å; L441-L444 HydrophobicContact CD1-CD1 4.47Å; L441-L468 VanDerWaalsContact O-CB 3.25Å; L441-L468 WeakPolarHBondContact O-CB 3.48Å
442S84.1Confident85.8Confident79 Ų7955 Ų5555%0.55229%0.288SS*.SBendtrans-82-12.6171.557.90000113.3R440 D467 L468R440-S442 PolarHBondContact O-N 2.88Å; S442-D467 PolarHBondContact O-N 3.23Å; S442-L468 PolarHBondContact O-N 3.21Å; S442-L468 VanDerWaalsContact O-N 3.1Å
443S86.4Confident85.4Confident55 Ų5556.3 Ų56.339%0.38530%0.3SS..EExtended strand (participates in β ladder)trans-152.8150.9172.566.10000111.2L441 L465L441-S443 VanDerWaalsContact C-N 3.32Å; S443-L465 CarbonylContact C-O 3.47Å; S443-L465 WeakPolarHBondContact CA-O 3.25Å; S443-L465 WeakPolarHBondContact CB-O 3.3Å
444L85.6Confident84.1Confident22 Ų2261.3 Ų61.312%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-126.1129.6180176.470000110.1F435 A437 L441 L446 I464 L465 L468 I477F435-L444 HydrophobicContact CE2-CD2 3.9Å; F435-L444 HydrophobicContact CZ-CD2 3.92Å; A437-L444 HydrophobicContact CB-CD1 3.9Å; A437-L444 HydrophobicContact CB-CD2 4.03Å; L441-L444 HydrophobicContact CD1-CD1 4.47Å; L444-L446 HydrophobicContact CD2-CG 4.35Å; L444-I464 CarbonylContact O-C 3.44Å; L444-I464 WeakPolarHBondContact O-CA 3.5Å; L444-L465 HydrophobicContact CB-CB 4.39Å; L444-L465 PolarHBondContact N-O 3.15Å; L444-L465 PolarHBondContact O-N 3.01Å; L444-L468 HydrophobicContact CB-CD1 3.92Å; L444-I477 HydrophobicContact CD2-CB 4.37Å; L444-I477 HydrophobicContact CD2-CD1 4.07Å; L444-I477 HydrophobicContact CD2-CG1 3.64Å; L444-I477 HydrophobicContact CD2-CG2 4.16Å
445C87Confident83.5Confident64 Ų6464.3 Ų64.343%0.43234%0.344SS..EExtended strand (participates in β ladder)trans-102.7109.8174.8-176.60000110I463C445-I463 CarbonylContact C-O 3.51Å; C445-I463 WeakPolarHBondContact CA-O 3.34Å
446L87.6Confident83.3Confident5 Ų571.6 Ų71.63%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-90.4127.6172.7-81163.2000109.8L406 F435 L444 K462 I463 I477 C493L406-L446 HydrophobicContact CD1-CD2 3.93Å; L406-L446 HydrophobicContact CD2-CD2 4.01Å; L406-L446 HydrophobicContact CG-CD2 4.26Å; F435-L446 HydrophobicContact CE1-CD1 4.38Å; F435-L446 HydrophobicContact CE1-CD2 3.57Å; F435-L446 HydrophobicContact CE2-CD2 3.89Å; F435-L446 HydrophobicContact CZ-CD1 3.97Å; F435-L446 HydrophobicContact CZ-CD2 3.09Å; F435-L446 HydrophobicContact CZ-CG 3.88Å; L444-L446 HydrophobicContact CD2-CG 4.35Å; L446-K462 CarbonylContact O-C 3.36Å; L446-K462 WeakPolarHBondContact O-CA 3.41Å; L446-I463 HydrophobicContact CB-CB 4.22Å; L446-I463 PolarHBondContact N-O 2.74Å; L446-I463 PolarHBondContact O-N 3.37Å; L446-I477 HydrophobicContact CD1-CG2 4.33Å; L446-C493 HydrophobicContact CD1-CB 3.29Å
447E91.5Very high83.4Confident37 Ų3769.3 Ų69.317%0.17336%0.361CS..EExtended strand (participates in β ladder)trans-115.2128.1178-54.3-166.9161.600111K407 Y449 K459 K462K407-E447 HydrophobicContact CB-CB 4.16Å; K407-E447 PolarHBondContact N-O 3.37Å; E447-Y449 HydrophobicContact CB-CD2 4.26Å; E447-Y449 HydrophobicContact CB-CE2 3.54Å; E447-Y449 PolarHBondContact OE2-OH 3.41Å; E447-K459 IonicContact OE1-NZ 3.31Å; E447-K459 PolarHBondContact OE1-NZ 3.4Å; E447-K459 IonicContact OE2-NZ 3.86Å; E447-K459 PolarHBondContact OE2-NZ 3.18Å; E447-K462 HydrophobicContact CG-CB 4.37Å
448V90.3Very high83.7Confident0 Ų074.6 Ų74.60%039%0.385CS..EExtended strand (participates in β ladder)trans-106.9133.3-178.7-175.10000108.1I404 L405 L406 L460 S461 V491I404-V448 HydrophobicContact CG2-CG1 3.79Å; L405-V448 WeakPolarHBondContact O-CA 3.39Å; L406-V448 HydrophobicContact CD1-CG2 4.26Å; V448-L460 HydrophobicContact CG1-CD1 4.42Å; V448-L460 WeakPolarHBondContact O-CB 3.35Å; V448-L460 PolarHBondContact O-N 2.73Å; V448-S461 PolarHBondContact N-O 2.76Å; V448-S461 PolarHBondContact O-N 2.95Å; V448-V491 HydrophobicContact CG1-CG2 4.36Å; V448-V491 HydrophobicContact CG2-CB 4.41Å; V448-V491 HydrophobicContact CG2-CG1 4.08Å; V448-V491 HydrophobicContact CG2-CG2 4.06Å
449Y92.2Very high84Confident26 Ų2673.7 Ų73.710%0.10238%0.379CS..EExtended strand (participates in β ladder)trans-123.5158.1-177.3-72.8-107.8000110.8I404 L405 K407 F417 E447 P457 Q458 K459I404-Y449 WeakPolarHBondContact CA-O 3.45Å; L405-Y449 PolarHBondContact N-O 3.16Å; L405-Y449 PolarHBondContact O-N 3.24Å; K407-Y449 HydrophobicContact CB-CD2 3.95Å; K407-Y449 HydrophobicContact CB-CE2 3.61Å; K407-Y449 HydrophobicContact CD-CE2 3.83Å; K407-Y449 HydrophobicContact CG-CE2 4.32Å; F417-Y449 HydrophobicContact CD1-CD2 4.36Å; F417-Y449 HydrophobicContact CD1-CG 4.35Å; F417-Y449 AromaticContact CE1-CD1 3.85Å; F417-Y449 HydrophobicContact CE1-CD1 3.85Å; F417-Y449 AromaticContact CE1-CD2 3.71Å; F417-Y449 HydrophobicContact CE1-CD2 3.71Å; F417-Y449 HydrophobicContact CE1-CE1 4.09Å; F417-Y449 AromaticContact CE1-CE2 3.96Å; F417-Y449 HydrophobicContact CE1-CE2 3.96Å; F417-Y449 AromaticContact CE1-CG 3.69Å; F417-Y449 HydrophobicContact CE1-CG 3.69Å; F417-Y449 HydrophobicContact CZ-CD1 4.41Å; F417-Y449 HydrophobicContact CZ-CE1 4.36Å; E447-Y449 HydrophobicContact CB-CD2 4.26Å; E447-Y449 HydrophobicContact CB-CE2 3.54Å; E447-Y449 PolarHBondContact OE2-OH 3.41Å; Y449-P457 HydrophobicContact CD1-CB 3.88Å; Y449-P457 HydrophobicContact CG-CB 4.34Å; Y449-Q458 CarbonylContact C-O 3.59Å; Y449-Q458 WeakPolarHBondContact CA-O 3.33Å; Y449-K459 VanDerWaalsContact CD1-CA 3.48Å; Y449-K459 HydrophobicContact CD1-CB 4.01Å; Y449-K459 VanDerWaalsContact CD1-N 3.31Å; Y449-K459 HydrophobicContact CE1-CB 3.61Å; Y449-K459 HydrophobicContact CE1-CG 4.25Å; Y449-K459 HydrophobicContact CE2-CG 4.29Å
450Q90.8Very high84.3Confident54 Ų5475.9 Ų75.925%0.25239%0.39SS..EExtended strand (participates in β ladder)trans-117.3147.4166.164.5178.4500110.8A402 D403 I404 P457 Q458 L460A402-Q450 HydrophobicContact CB-CB 4.46Å; D403-Q450 CarbonylContact O-C 3.5Å; D403-Q450 WeakPolarHBondContact O-CA 3.26Å; I404-Q450 HydrophobicContact CD1-CB 4.35Å; Q450-P457 CarbonylContact O-C 3.59Å; Q450-P457 WeakPolarHBondContact O-CA 3.42Å; Q450-Q458 HydrophobicContact CG-CB 4.12Å; Q450-Q458 PolarHBondContact N-O 3.28Å; Q450-Q458 PolarHBondContact O-N 2.81Å; Q450-L460 HydrophobicContact CB-CD1 3.82Å; Q450-L460 HydrophobicContact CB-CD2 4.13Å; Q450-L460 HydrophobicContact CB-CG 3.79Å; Q450-L460 VanDerWaalsContact CD-CD2 3.43Å; Q450-L460 HydrophobicContact CG-CD1 4.38Å; Q450-L460 HydrophobicContact CG-CD2 3.76Å; Q450-L460 HydrophobicContact CG-CG 3.84Å
451R87.4Confident84.6Confident83 Ų8367.7 Ų67.731%0.31336%0.363SS..EExtended strand (participates in β ladder)trans-136.1116.7171.8-177.4178.864.1-172.3-0.5110.7D403 L405 Q455D403-R451 HydrophobicContact CB-CB 4.21Å; D403-R451 PolarHBondContact N-O 3.3Å; D403-R451 PolarHBondContact O-N 3.04Å; D403-R451 IonicContact OD2-CZ 2.84Å; D403-R451 IonicContact OD2-NE 3.33Å; D403-R451 PolarHBondContact OD2-NE 2.86Å; D403-R451 IonicContact OD2-NH2 2.7Å; D403-R451 PolarHBondContact OD2-NH2 3.15Å; L405-R451 HydrophobicContact CD1-CB 3.61Å; R451-Q455 WeakPolarHBondContact CG-O 3.39Å
452V81.7Confident85Confident65 Ų6570.2 Ų70.239%0.39437%0.371SS..  trans-88.3139.4165.7-173.30000107.5A402 Q455A402-V452 HydrophobicContact CB-CG2 3.88Å; V452-Q455 WeakPolarHBondContact O-CB 3.33Å; V452-Q455 PolarHBondContact O-N 3.44Å; V452-Q455 VanDerWaalsContact O-N 3.14Å
453T73.4Confident85.3Confident95 Ų9566.8 Ų66.858%0.58335%0.346SS*.THydrogen-bonded Turntrans-37.8137-168-45.30000115.3Q455T453-Q455 PolarHBondContact O-N 2.84Å
454T58Low85.4Confident148 Ų14866.9 Ų66.991%0.90834%0.342SS*.THydrogen-bonded Turntrans57.90.3-178.152.10000117.4
455Q72.8Confident85.4Confident127 Ų12765.9 Ų65.959%0.59334%0.337SS*.SBendtrans-92.8160.8176.3-58.2-179.42.700111.9R451 V452 T453R451-Q455 WeakPolarHBondContact CG-O 3.39Å; V452-Q455 WeakPolarHBondContact O-CB 3.33Å; V452-Q455 PolarHBondContact O-N 3.44Å; V452-Q455 VanDerWaalsContact O-N 3.14Å; T453-Q455 PolarHBondContact O-N 2.84Å
456Q81.8Confident85.4Confident180 Ų18070.4 Ų70.484%0.84135%0.345SS*.PPolyproline II helixtrans-68.4145.4172.1-71.1-165.9-11.500110.7Q458Q456-Q458 PolarHBondContact O-N 3.11Å
457P86.4Confident85.3Confident39 Ų3975.5 Ų75.525%0.25337%0.372SS..PPolyproline II helixtrans-56.6128.5174.9-23.432.9000112F417 Y449 Q450F417-P457 HydrophobicContact CD1-CB 4.4Å; F417-P457 HydrophobicContact CD1-CG 4.49Å; F417-P457 HydrophobicContact CD2-CG 4.3Å; F417-P457 HydrophobicContact CE1-CB 4.06Å; F417-P457 HydrophobicContact CE1-CG 4.39Å; F417-P457 HydrophobicContact CE2-CG 4.2Å; F417-P457 HydrophobicContact CG-CG 4.44Å; F417-P457 HydrophobicContact CZ-CB 4.17Å; F417-P457 HydrophobicContact CZ-CG 4.24Å; Y449-P457 HydrophobicContact CD1-CB 3.88Å; Y449-P457 HydrophobicContact CG-CB 4.34Å; Q450-P457 CarbonylContact O-C 3.59Å; Q450-P457 WeakPolarHBondContact O-CA 3.42Å
458Q88.3Confident84.9Confident121 Ų12173.9 Ų73.957%0.56536%0.364SS*.EExtended strand (participates in β ladder)trans-101.8132175.4-174-175.29.400110Y449 Q450 Q456 L460Y449-Q458 CarbonylContact C-O 3.59Å; Y449-Q458 WeakPolarHBondContact CA-O 3.33Å; Q450-Q458 HydrophobicContact CG-CB 4.12Å; Q450-Q458 PolarHBondContact N-O 3.28Å; Q450-Q458 PolarHBondContact O-N 2.81Å; Q456-Q458 PolarHBondContact O-N 3.11Å; Q458-L460 PolarHBondContact O-N 2.81Å
459K90.3Very high84.6Confident87 Ų8780.6 Ų80.638%0.37840%0.396SS..EExtended strand (participates in β ladder)trans-67124.3178.6-170.7173.1-175160.40110.7E447 Y449E447-K459 IonicContact OE1-NZ 3.31Å; E447-K459 PolarHBondContact OE1-NZ 3.4Å; E447-K459 IonicContact OE2-NZ 3.86Å; E447-K459 PolarHBondContact OE2-NZ 3.18Å; Y449-K459 VanDerWaalsContact CD1-CA 3.48Å; Y449-K459 HydrophobicContact CD1-CB 4.01Å; Y449-K459 VanDerWaalsContact CD1-N 3.31Å; Y449-K459 HydrophobicContact CE1-CB 3.61Å; Y449-K459 HydrophobicContact CE1-CG 4.25Å; Y449-K459 HydrophobicContact CE2-CG 4.29Å
460L87.6Confident84.3Confident47 Ų4783.6 Ų83.625%0.24642%0.419CS..EExtended strand (participates in β ladder)trans-89-49.9174-79-178.5000111.8I404 V448 Q450 Q458 I506I404-L460 HydrophobicContact CD1-CD1 3.8Å; V448-L460 HydrophobicContact CG1-CD1 4.42Å; V448-L460 WeakPolarHBondContact O-CB 3.35Å; V448-L460 PolarHBondContact O-N 2.73Å; Q450-L460 HydrophobicContact CB-CD1 3.82Å; Q450-L460 HydrophobicContact CB-CD2 4.13Å; Q450-L460 HydrophobicContact CB-CG 3.79Å; Q450-L460 VanDerWaalsContact CD-CD2 3.43Å; Q450-L460 HydrophobicContact CG-CD1 4.38Å; Q450-L460 HydrophobicContact CG-CD2 3.76Å; Q450-L460 HydrophobicContact CG-CG 3.84Å; Q458-L460 PolarHBondContact O-N 2.81Å; L460-I506 HydrophobicContact CB-CD1 4.11Å; L460-I506 HydrophobicContact CD1-CD1 4.48Å
461S90.2Very high83.9Confident24 Ų2483.6 Ų83.617%0.16842%0.424CS..EExtended strand (participates in β ladder)trans-159.5171.4-174.2-166.20000111.8V448V448-S461 PolarHBondContact N-O 2.76Å; V448-S461 PolarHBondContact O-N 2.95Å
462K90.9Very high83.7Confident117 Ų11789.2 Ų89.251%0.50945%0.454SS..EExtended strand (participates in β ladder)trans-134.8144.9168.366.3177.5-177.3177.90110.7L446 E447L446-K462 CarbonylContact O-C 3.36Å; L446-K462 WeakPolarHBondContact O-CA 3.41Å; E447-K462 HydrophobicContact CG-CB 4.37Å
463I90.3Very high83.9Confident7 Ų793.4 Ų93.44%0.03647%0.469CS..EExtended strand (participates in β ladder)trans-120.2133.3175.6-51.9168000106.9C445 L446 V491 C493 E502 V504C445-I463 CarbonylContact C-O 3.51Å; C445-I463 WeakPolarHBondContact CA-O 3.34Å; L446-I463 HydrophobicContact CB-CB 4.22Å; L446-I463 PolarHBondContact N-O 2.74Å; L446-I463 PolarHBondContact O-N 3.37Å; I463-V491 HydrophobicContact CD1-CB 3.69Å; I463-V491 HydrophobicContact CD1-CG1 3.37Å; I463-C493 VanDerWaalsContact CG2-SG 3.53Å; I463-E502 HydrophobicContact CG2-CB 3.73Å; I463-V504 HydrophobicContact CD1-CG1 3.69Å; I463-V504 HydrophobicContact CG1-CB 4.11Å; I463-V504 HydrophobicContact CG1-CG1 3.47Å; I463-V504 VanDerWaalsContact CG1-CG1 3.47Å
464I89.1Confident84.5Confident57 Ų5793.6 Ų93.629%0.29247%0.467SS..EExtended strand (participates in β ladder)trans-115.6104.1179.7-56.5174.5000107.5L444 R466L444-I464 CarbonylContact O-C 3.44Å; L444-I464 WeakPolarHBondContact O-CA 3.5Å; I464-R466 HydrophobicContact CG2-CG 3.87Å; I464-R466 PolarHBondContact O-N 2.94Å
465L86.3Confident85.8Confident1 Ų186.9 Ų86.91%0.00543%0.425CS..EExtended strand (participates in β ladder)trans-78.3117.9170.7-164.676.5000107.8S443 L444 L468 I477 A495 E502S443-L465 CarbonylContact C-O 3.47Å; S443-L465 WeakPolarHBondContact CA-O 3.25Å; S443-L465 WeakPolarHBondContact CB-O 3.3Å; L444-L465 HydrophobicContact CB-CB 4.39Å; L444-L465 PolarHBondContact N-O 3.15Å; L444-L465 PolarHBondContact O-N 3.01Å; L465-L468 HydrophobicContact CD2-CD1 4.3Å; L465-L468 HydrophobicContact CD2-CD2 3.73Å; L465-L468 HydrophobicContact CD2-CG 4.26Å; L465-L468 HydrophobicContact CG-CD2 4.39Å; L465-I477 HydrophobicContact CD2-CD1 3.92Å; L465-A495 HydrophobicContact CD2-CB 3.92Å; L465-E502 HydrophobicContact CD1-CB 4.07Å; L465-E502 HydrophobicContact CD1-CG 3.94Å
466R86.9Confident86.5Confident159 Ų15982.4 Ų82.460%0.641%0.408SS*.EExtended strand (participates in β ladder)trans-106.3169.9-177.9-61.2-177.4-176179.21.6111.2I464 L468I464-R466 HydrophobicContact CG2-CG 3.87Å; I464-R466 PolarHBondContact O-N 2.94Å; R466-L468 VanDerWaalsContact C-N 3.25Å; R466-L468 PolarHBondContact O-N 2.98Å
467D85.1Confident86.7Confident111 Ų11173.8 Ų73.859%0.59437%0.368SS*.  trans59.235.3173-51.2-35.7000113.5S442S442-D467 PolarHBondContact O-N 3.23Å
468L83.9Confident86.8Confident4 Ų473.3 Ų73.32%0.02136%0.363CS..PPolyproline II helixtrans-69130.8169.1-70.4176.1000109.2L441 S442 L444 L465 R466 P470 A495L441-L468 VanDerWaalsContact O-CB 3.25Å; L441-L468 WeakPolarHBondContact O-CB 3.48Å; S442-L468 PolarHBondContact O-N 3.21Å; S442-L468 VanDerWaalsContact O-N 3.1Å; L444-L468 HydrophobicContact CB-CD1 3.92Å; L465-L468 HydrophobicContact CD2-CD1 4.3Å; L465-L468 HydrophobicContact CD2-CD2 3.73Å; L465-L468 HydrophobicContact CD2-CG 4.26Å; L465-L468 HydrophobicContact CG-CD2 4.39Å; R466-L468 VanDerWaalsContact C-N 3.25Å; R466-L468 PolarHBondContact O-N 2.98Å; L468-P470 WeakPolarHBondContact O-CD 3.49Å; L468-A495 HydrophobicContact CD2-CB 3.71Å
469Q83.6Confident86.7Confident141 Ų14167.6 Ų67.666%0.65934%0.336SS*.PPolyproline II helixtrans-79.8116.7179-69.6-62.2-46.900109.3S471 H475Q469-S471 PolarHBondContact O-N 2.92Å; Q469-H475 PolarHBondContact O-CE1 2.97Å; Q469-H475 PolarHBondContact O-NE2 2.85Å
470P84.7Confident86.4Confident89 Ų8964 Ų6458%0.57832%0.322SS*.PPolyproline II helixtrans-57.3132.5-178.9-24.734.9000112G439 L468G439-P470 CarbonylContact O-C 3.52Å; G439-P470 VanDerWaalsContact O-CA 3.27Å; G439-P470 WeakPolarHBondContact O-CA 3.49Å; L468-P470 WeakPolarHBondContact O-CD 3.49Å
471S83.9Confident86.4Confident54 Ų5461.8 Ų61.838%0.37831%0.31SS..  trans-134.3157.5179.5-1760000110.8G439 Q469 E473G439-S471 CarbonylContact C-O 3.55Å; G439-S471 WeakPolarHBondContact CA-O 3.39Å; G439-S471 PolarHBondContact O-N 3.17Å; Q469-S471 PolarHBondContact O-N 2.92Å; S471-E473 PolarHBondContact OG-N 3.4Å
472E82.8Confident86Confident201 Ų20162.4 Ų62.494%0.93931%0.313SS*.SBendtrans-72.1-23.4168.3-65-164.2161.900111.9
473E85.5Confident85.6Confident152 Ų15257.4 Ų57.471%0.7129%0.292SS*.SBendtrans-89.6146.6174-64.1-176.4172.300111.5G439 S471G439-E473 WeakPolarHBondContact CA-O 3.32Å; S471-E473 PolarHBondContact OG-N 3.4Å
474N86.5Confident85.1Confident100 Ų10061.9 Ų61.954%0.53531%0.311SS..PPolyproline II helixtrans-61.5144.7175.4-75.9-13.8000112A437 G439 S476A437-N474 CarbonylContact O-C 3.59Å; A437-N474 VanDerWaalsContact O-CA 3.27Å; A437-N474 WeakPolarHBondContact O-CA 3.46Å; A437-N474 VanDerWaalsContact O-CB 3.23Å; A437-N474 WeakPolarHBondContact O-CB 3.36Å; G439-N474 PolarHBondContact N-OD1 3.38Å; N474-S476 PolarHBondContact O-N 3.21Å
475H84.3Confident84.5Confident6 Ų663.6 Ų63.63%0.02831%0.314CS..EExtended strand (participates in β ladder)trans-73.4123.2171-67.4-50.5000110.3S436 A437 G439 Q469 I477S436-H475 CarbonylContact C-O 3.49Å; S436-H475 WeakPolarHBondContact CA-O 3.35Å; A437-H475 HydrophobicContact CB-CB 4.34Å; A437-H475 PolarHBondContact N-O 2.92Å; A437-H475 PolarHBondContact O-N 3.43Å; G439-H475 PolarHBondContact O-NE2 2.8Å; G439-H475 VanDerWaalsContact O-NE2 3.12Å; Q469-H475 PolarHBondContact O-CE1 2.97Å; Q469-H475 PolarHBondContact O-NE2 2.85Å; H475-I477 HydrophobicContact CB-CD1 3.95Å; H475-I477 HydrophobicContact CB-CG1 4.39Å
476S87.4Confident83.9Confident33 Ų3368.5 Ų68.523%0.23134%0.34CS..EExtended strand (participates in β ladder)trans-83.9119.3167.7-174.50000109.5N474 Q496N474-S476 PolarHBondContact O-N 3.21Å; S476-Q496 VanDerWaalsContact CB-OE1 3.32Å; S476-Q496 PolarHBondContact O-N 3.14Å; S476-Q496 VanDerWaalsContact OG-CD 3.23Å; S476-Q496 PolarHBondContact OG-OE1 2.89Å
477I87.3Confident83.4Confident0 Ų062.2 Ų62.20%032%0.324CS..EExtended strand (participates in β ladder)trans-117.7124.2-175.3-50.9-65.2000109.5T434 F435 A437 L444 L446 L465 H475 C493 A494 A495T434-I477 VanDerWaalsContact CA-O 3.3Å; T434-I477 WeakPolarHBondContact CA-O 3.17Å; F435-I477 HydrophobicContact CD1-CB 4.48Å; F435-I477 HydrophobicContact CE1-CB 3.88Å; F435-I477 HydrophobicContact CE1-CG2 3.75Å; F435-I477 HydrophobicContact CE2-CB 4.07Å; F435-I477 HydrophobicContact CE2-CG1 4.3Å; F435-I477 HydrophobicContact CE2-CG2 4.41Å; F435-I477 HydrophobicContact CZ-CB 3.61Å; F435-I477 HydrophobicContact CZ-CG1 4.21Å; F435-I477 HydrophobicContact CZ-CG2 3.52Å; F435-I477 PolarHBondContact N-O 3.42Å; F435-I477 PolarHBondContact O-N 2.91Å; A437-I477 HydrophobicContact CB-CG1 4.24Å; L444-I477 HydrophobicContact CD2-CB 4.37Å; L444-I477 HydrophobicContact CD2-CD1 4.07Å; L444-I477 HydrophobicContact CD2-CG1 3.64Å; L444-I477 HydrophobicContact CD2-CG2 4.16Å; L446-I477 HydrophobicContact CD1-CG2 4.33Å; L465-I477 HydrophobicContact CD2-CD1 3.92Å; H475-I477 HydrophobicContact CB-CD1 3.95Å; H475-I477 HydrophobicContact CB-CG1 4.39Å; I477-C493 HydrophobicContact CG2-CB 4.31Å; I477-A494 CarbonylContact C-O 3.51Å; I477-A494 WeakPolarHBondContact CA-O 3.48Å; I477-A495 HydrophobicContact CD1-CB 3.77Å
478D87.1Confident83.3Confident28 Ų2857.1 Ų57.115%0.1530%0.298CS..EExtended strand (participates in β ladder)trans-96110.6174-71.9-32.1000109.8H432 T434 C493 A494 Q496H432-D478 IonicContact CE1-OD1 3.26Å; H432-D478 PolarHBondContact CE1-OD1 3.46Å; H432-D478 IonicContact NE2-OD1 3.75Å; H432-D478 IonicContact NE2-OD2 3.33Å; T434-D478 WeakPolarHBondContact CB-OD1 3.37Å; T434-D478 WeakPolarHBondContact CG2-OD1 3.34Å; T434-D478 PolarHBondContact OG1-OD1 2.7Å; D478-C493 CarbonylContact O-C 3.52Å; D478-C493 WeakPolarHBondContact O-CA 3.38Å; D478-A494 PolarHBondContact N-O 3.47Å; D478-A494 PolarHBondContact O-N 3.03Å; D478-Q496 VanDerWaalsContact CG-NE2 3.25Å; D478-Q496 PolarHBondContact OD1-NE2 2.8Å; D478-Q496 WeakPolarHBondContact OD2-CG 3.41Å; D478-Q496 PolarHBondContact OD2-NE2 2.87Å
479A86.2Confident83.5Confident1 Ų157.3 Ų57.31%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-96.7130.7170.100000110.6H432 H433 F435 S492H432-A479 CarbonylContact C-O 3.2Å; H432-A479 WeakPolarHBondContact CA-O 3.34Å; H433-A479 PolarHBondContact N-O 2.85Å; H433-A479 PolarHBondContact O-N 3.06Å; F435-A479 HydrophobicContact CE1-CB 4.08Å; A479-S492 CarbonylContact C-O 3.55Å; A479-S492 VanDerWaalsContact CA-O 3.32Å; A479-S492 WeakPolarHBondContact CA-O 3.46Å
480V84.1Confident83.7Confident13 Ų1353.3 Ų53.38%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-117.8115.7175-175.10000109.1R430 R431 V491 S492R430-V480 HydrophobicContact CG-CG1 3.86Å; R431-V480 CarbonylContact O-C 3.56Å; R431-V480 VanDerWaalsContact O-CA 3.23Å; R431-V480 WeakPolarHBondContact O-CA 3.44Å; V480-V491 CarbonylContact O-C 3.57Å; V480-V491 VanDerWaalsContact O-CA 3.26Å; V480-V491 WeakPolarHBondContact O-CA 3.44Å; V480-S492 WeakPolarHBondContact CB-OG 3.34Å; V480-S492 PolarHBondContact N-O 2.74Å; V480-S492 PolarHBondContact O-N 2.95Å
481V87.5Confident83.8Confident0 Ų049.2 Ų49.20%025%0.253CS..EExtended strand (participates in β ladder)trans-105121.7173.6178.20000108.9I404 L420 L421 R430 R431 V489 H490 V491I404-V481 HydrophobicContact CG2-CG1 4.03Å; L420-V481 HydrophobicContact CD1-CB 4.22Å; L420-V481 HydrophobicContact CD1-CG2 3.38Å; L421-V481 HydrophobicContact CD1-CG1 3.81Å; R430-V481 CarbonylContact C-O 3.49Å; R430-V481 WeakPolarHBondContact CA-O 3.44Å; R431-V481 HydrophobicContact CB-CB 4.47Å; R431-V481 PolarHBondContact N-O 3.24Å; R431-V481 PolarHBondContact O-N 3.48Å; V481-V489 HydrophobicContact CG1-CG1 3.7Å; V481-H490 CarbonylContact C-O 3.57Å; V481-V491 HydrophobicContact CB-CG2 4.39Å; V481-V491 HydrophobicContact CG1-CG2 4.15Å; V481-V491 HydrophobicContact CG2-CB 4.36Å; V481-V491 HydrophobicContact CG2-CG1 3.82Å; V481-V491 HydrophobicContact CG2-CG2 3.84Å
482T81.7Confident84Confident36 Ų3648.2 Ų48.222%0.22125%0.246CC..EExtended strand (participates in β ladder)trans-119.3117.4177.1-51.90000108.6A429 R430 V489 H490A429-T482 CarbonylContact O-C 3.6Å; A429-T482 VanDerWaalsContact O-CA 3.3Å; A429-T482 WeakPolarHBondContact O-CA 3.42Å; R430-T482 HydrophobicContact CB-CG2 4.4Å; T482-V489 CarbonylContact O-C 3.5Å; T482-V489 WeakPolarHBondContact O-CA 3.24Å; T482-H490 PolarHBondContact N-O 3.12Å; T482-H490 PolarHBondContact O-N 2.71Å
483M83.6Confident84.3Confident12 Ų1238.7 Ų38.76%0.05920%0.202CC..EExtended strand (participates in β ladder)trans-98.2124.3169.4-169178.4-63.100109I404 L421 L427 P428 A429 S488 V489I404-M483 HydrophobicContact CD1-CE 3.6Å; I404-M483 HydrophobicContact CG1-CE 3.19Å; L421-M483 HydrophobicContact CD1-CB 3.67Å; L421-M483 HydrophobicContact CD1-CE 4.01Å; L427-M483 HydrophobicContact CD1-CG 4.36Å; L427-M483 HydrophobicContact CD1-SD 4.02Å; L427-M483 HydrophobicContact CD2-CB 3.95Å; L427-M483 HydrophobicContact CD2-CG 3.65Å; L427-M483 HydrophobicContact CD2-SD 3.43Å; L427-M483 WeakPolarHBondContact CD2-SD 3.47Å; L427-M483 HydrophobicContact CG-SD 4.38Å; P428-M483 CarbonylContact C-O 3.49Å; P428-M483 VanDerWaalsContact CA-O 3.27Å; P428-M483 WeakPolarHBondContact CA-O 3.39Å; P428-M483 WeakPolarHBondContact CB-O 3.2Å; A429-M483 PolarHBondContact N-O 3.46Å; A429-M483 PolarHBondContact O-N 2.98Å; M483-S488 CarbonylContact C-O 3.55Å; M483-S488 WeakPolarHBondContact CA-O 3.49Å; M483-V489 HydrophobicContact CB-CG2 4.49Å; M483-V489 HydrophobicContact CE-CG2 3.82Å; M483-V489 HydrophobicContact CG-CG2 4.13Å
484K80.1Confident84.4Confident102 Ų10232.9 Ų32.944%0.44318%0.18SC..  trans-83.7171.4178-62.6-168.6-166.8174.80110.9D486 G487 S488K484-D486 VanDerWaalsContact C-N 3.31Å; K484-D486 WeakPolarHBondContact CB-OD1 3.44Å; K484-D486 PolarHBondContact O-N 3.28Å; K484-G487 PolarHBondContact O-N 3.2Å; K484-S488 WeakPolarHBondContact CB-OG 3.39Å; K484-S488 WeakPolarHBondContact CD-OG 3.46Å; K484-S488 PolarHBondContact N-O 2.85Å
485R76.2Confident84.3Confident93 Ų9328.1 Ų28.135%0.35115%0.154SC..THydrogen-bonded Turntrans-58.1-41.2177.5-74.6160.7159-172.8-1.5112.8E391 E393 P428 G487E391-R485 PolarHBondContact O-NH1 2.88Å; E393-R485 VanDerWaalsContact CD-NH2 3.34Å; E393-R485 WeakPolarHBondContact OE1-CD 3.4Å; E393-R485 WeakPolarHBondContact OE1-CG 3.39Å; E393-R485 IonicContact OE1-CZ 2.68Å; E393-R485 IonicContact OE1-NE 2.63Å; E393-R485 PolarHBondContact OE1-NE 2.68Å; E393-R485 IonicContact OE1-NH1 3.91Å; E393-R485 IonicContact OE1-NH2 3.59Å; E393-R485 IonicContact OE2-CZ 2.64Å; E393-R485 IonicContact OE2-NE 2.83Å; E393-R485 PolarHBondContact OE2-NE 3.19Å; E393-R485 IonicContact OE2-NH1 2.7Å; E393-R485 IonicContact OE2-NH2 3.52Å; E393-R485 PolarHBondContact OE2-NH2 3.07Å; P428-R485 HydrophobicContact CB-CG 4.37Å; P428-R485 HydrophobicContact CG-CG 4.28Å; R485-G487 PolarHBondContact O-N 3.17Å
486D74.6Confident84.1Confident104 Ų10433 Ų3356%0.55618%0.177SC*.THydrogen-bonded Turntrans-66.3-3175.769.3-8.2000113.9K484 S488 A508K484-D486 VanDerWaalsContact C-N 3.31Å; K484-D486 WeakPolarHBondContact CB-OD1 3.44Å; K484-D486 PolarHBondContact O-N 3.28Å; D486-S488 VanDerWaalsContact C-N 3.33Å; D486-S488 WeakPolarHBondContact OD1-CB 3.46Å; D486-S488 PolarHBondContact OD1-N 3.41Å; D486-S488 PolarHBondContact OD1-OG 2.97Å; D486-S488 PolarHBondContact OD2-OG 3.34Å; D486-A508 WeakPolarHBondContact O-CB 3.46Å
487G75.2Confident83.3Confident26 Ų2636 Ų3627%0.26820%0.198SC..SBendtrans84.4-0.4-176.300000114.3K484 R485K484-G487 PolarHBondContact O-N 3.2Å; R485-G487 PolarHBondContact O-N 3.17Å
488S83.7Confident82.6Confident5 Ų538.3 Ų38.34%0.03521%0.214CC..  trans-69.5141.4176.8660000111.3M483 K484 D486 I506M483-S488 CarbonylContact C-O 3.55Å; M483-S488 WeakPolarHBondContact CA-O 3.49Å; K484-S488 WeakPolarHBondContact CB-OG 3.39Å; K484-S488 WeakPolarHBondContact CD-OG 3.46Å; K484-S488 PolarHBondContact N-O 2.85Å; D486-S488 VanDerWaalsContact C-N 3.33Å; D486-S488 WeakPolarHBondContact OD1-CB 3.46Å; D486-S488 PolarHBondContact OD1-N 3.41Å; D486-S488 PolarHBondContact OD1-OG 2.97Å; D486-S488 PolarHBondContact OD2-OG 3.34Å; S488-I506 CarbonylContact C-O 3.54Å; S488-I506 VanDerWaalsContact CA-O 3.3Å; S488-I506 WeakPolarHBondContact CA-O 3.38Å; S488-I506 WeakPolarHBondContact CB-O 3.48Å
489V87.1Confident81.9Confident7 Ų739.8 Ų39.84%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-113112.4-175.9-173.90000109.6I404 V481 T482 M483 V491 I506I404-V489 HydrophobicContact CD1-CG2 4.2Å; V481-V489 HydrophobicContact CG1-CG1 3.7Å; T482-V489 CarbonylContact O-C 3.5Å; T482-V489 WeakPolarHBondContact O-CA 3.24Å; M483-V489 HydrophobicContact CB-CG2 4.49Å; M483-V489 HydrophobicContact CE-CG2 3.82Å; M483-V489 HydrophobicContact CG-CG2 4.13Å; V489-V491 HydrophobicContact CG1-CG2 3.76Å; V489-I506 HydrophobicContact CB-CB 4.31Å; V489-I506 HydrophobicContact CB-CD1 4.23Å; V489-I506 HydrophobicContact CG1-CD1 4.42Å; V489-I506 PolarHBondContact N-O 3.31Å; V489-I506 WeakPolarHBondContact O-CB 3.46Å; V489-I506 PolarHBondContact O-N 3.04Å
490H87.6Confident81.6Confident58 Ų5846.6 Ų46.627%0.26926%0.262SS..EExtended strand (participates in β ladder)trans-96.2120.7170.8-173.676.6000109.9V481 T482 V504 T505V481-H490 CarbonylContact C-O 3.57Å; T482-H490 PolarHBondContact N-O 3.12Å; T482-H490 PolarHBondContact O-N 2.71Å; H490-V504 CarbonylContact C-O 3.44Å; H490-V504 WeakPolarHBondContact CA-O 3.47Å; H490-T505 PolarHBondContact ND1-OG1 2.82Å
491V88.1Confident81.8Confident2 Ų249.7 Ų49.71%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-118.5121.4178.1-174.10000109V448 I463 V480 V481 V489 A503 V504V448-V491 HydrophobicContact CG1-CG2 4.36Å; V448-V491 HydrophobicContact CG2-CB 4.41Å; V448-V491 HydrophobicContact CG2-CG1 4.08Å; V448-V491 HydrophobicContact CG2-CG2 4.06Å; I463-V491 HydrophobicContact CD1-CB 3.69Å; I463-V491 HydrophobicContact CD1-CG1 3.37Å; V480-V491 CarbonylContact O-C 3.57Å; V480-V491 VanDerWaalsContact O-CA 3.26Å; V480-V491 WeakPolarHBondContact O-CA 3.44Å; V481-V491 HydrophobicContact CB-CG2 4.39Å; V481-V491 HydrophobicContact CG1-CG2 4.15Å; V481-V491 HydrophobicContact CG2-CB 4.36Å; V481-V491 HydrophobicContact CG2-CG1 3.82Å; V481-V491 HydrophobicContact CG2-CG2 3.84Å; V489-V491 HydrophobicContact CG1-CG2 3.76Å; V491-A503 CarbonylContact O-C 3.47Å; V491-A503 VanDerWaalsContact O-CA 3.23Å; V491-A503 WeakPolarHBondContact O-CA 3.44Å; V491-V504 HydrophobicContact CB-CG1 4.19Å; V491-V504 PolarHBondContact N-O 2.87Å; V491-V504 PolarHBondContact O-N 3Å
492S88.4Confident81.9Confident34 Ų3454.3 Ų54.324%0.23831%0.305CS..EExtended strand (participates in β ladder)trans-112.4151.3169.269.80000110.6A479 V480 E502A479-S492 CarbonylContact C-O 3.55Å; A479-S492 VanDerWaalsContact CA-O 3.32Å; A479-S492 WeakPolarHBondContact CA-O 3.46Å; V480-S492 WeakPolarHBondContact CB-OG 3.34Å; V480-S492 PolarHBondContact N-O 2.74Å; V480-S492 PolarHBondContact O-N 2.95Å; S492-E502 CarbonylContact C-O 3.58Å; S492-E502 VanDerWaalsContact CA-O 3.28Å; S492-E502 WeakPolarHBondContact CA-O 3.47Å
493C87.6Confident82.2Confident0 Ų055.1 Ų55.10%032%0.316CS..EExtended strand (participates in β ladder)trans-132.1143.5170.363.30000110.1L446 I463 I477 D478 S501 E502L446-C493 HydrophobicContact CD1-CB 3.29Å; I463-C493 VanDerWaalsContact CG2-SG 3.53Å; I477-C493 HydrophobicContact CG2-CB 4.31Å; D478-C493 CarbonylContact O-C 3.52Å; D478-C493 WeakPolarHBondContact O-CA 3.38Å; C493-S501 CarbonylContact O-C 3.5Å; C493-S501 WeakPolarHBondContact O-CA 3.34Å; C493-S501 VanDerWaalsContact O-CB 3.3Å; C493-S501 WeakPolarHBondContact O-CB 3.27Å; C493-E502 PolarHBondContact N-O 2.8Å; C493-E502 PolarHBondContact O-N 2.86Å
494A87.8Confident82.4Confident30 Ų3056.3 Ų56.325%0.24832%0.324CS..EExtended strand (participates in β ladder)trans-138.7135.4177.200000111.3I477 D478 R500I477-A494 CarbonylContact C-O 3.51Å; I477-A494 WeakPolarHBondContact CA-O 3.48Å; D478-A494 PolarHBondContact N-O 3.47Å; D478-A494 PolarHBondContact O-N 3.03Å; A494-R500 CarbonylContact C-O 3.21Å; A494-R500 VanDerWaalsContact CA-O 3.22Å; A494-R500 WeakPolarHBondContact CA-O 3.48Å
495A85.1Confident82.5Confident0 Ų055.3 Ų55.30%033%0.326CS..EExtended strand (participates in β ladder)trans-84121169.400000109.9L465 L468 I477 S497 S498 G499 R500L465-A495 HydrophobicContact CD2-CB 3.92Å; L468-A495 HydrophobicContact CD2-CB 3.71Å; I477-A495 HydrophobicContact CD1-CB 3.77Å; A495-S497 VanDerWaalsContact C-N 3.31Å; A495-S497 PolarHBondContact O-N 2.82Å; A495-S498 WeakPolarHBondContact CB-OG 3.44Å; A495-S498 PolarHBondContact O-N 3.39Å; A495-G499 WeakPolarHBondContact O-CA 3.3Å; A495-G499 PolarHBondContact O-N 2.88Å; A495-R500 PolarHBondContact N-O 2.94Å
496Q79.6Confident83Confident110 Ų11052.1 Ų52.151%0.51432%0.316SS..THydrogen-bonded Turntrans-61.8-37.6-175.4-71.2-176.6-15.100112.9S476 D478S476-Q496 VanDerWaalsContact CB-OE1 3.32Å; S476-Q496 PolarHBondContact O-N 3.14Å; S476-Q496 VanDerWaalsContact OG-CD 3.23Å; S476-Q496 PolarHBondContact OG-OE1 2.89Å; D478-Q496 VanDerWaalsContact CG-NE2 3.25Å; D478-Q496 PolarHBondContact OD1-NE2 2.8Å; D478-Q496 WeakPolarHBondContact OD2-CG 3.41Å; D478-Q496 PolarHBondContact OD2-NE2 2.87Å
497S71.8Confident83.2Confident94 Ų9451.1 Ų51.166%0.65732%0.322SS*.THydrogen-bonded Turntrans-74.4-29-176.157.30000114A495A495-S497 VanDerWaalsContact C-N 3.31Å; A495-S497 PolarHBondContact O-N 2.82Å
498S71.9Confident82.9Confident49 Ų4952 Ų5234%0.34333%0.327SS..THydrogen-bonded Turntrans-111.6-12-174.668.10000114A495 R500A495-S498 WeakPolarHBondContact CB-OG 3.44Å; A495-S498 PolarHBondContact O-N 3.39Å; S498-R500 PolarHBondContact O-N 3.31Å; S498-R500 VanDerWaalsContact O-N 3.11Å; S498-R500 PolarHBondContact OG-N 3.28Å
499G72.1Confident81.5Confident60 Ų6056.5 Ų56.562%0.61936%0.364SS*.  trans66.34-174.500000114.2A495A495-G499 WeakPolarHBondContact O-CA 3.3Å; A495-G499 PolarHBondContact O-N 2.88Å
500R80.6Confident79Confident144 Ų14465.2 Ų65.254%0.54343%0.426SS..  trans-69.1132.1177.4-70.4-68.7-176171.51.1109.3A494 A495 S498A494-R500 CarbonylContact C-O 3.21Å; A494-R500 VanDerWaalsContact CA-O 3.22Å; A494-R500 WeakPolarHBondContact CA-O 3.48Å; A495-R500 PolarHBondContact N-O 2.94Å; S498-R500 PolarHBondContact O-N 3.31Å; S498-R500 VanDerWaalsContact O-N 3.11Å; S498-R500 PolarHBondContact OG-N 3.28Å
501S87Confident78.6Confident78 Ų7865.6 Ų65.655%0.54543%0.434SS..EExtended strand (participates in β ladder)trans-135.2148.5178.256.60000111.8C493C493-S501 CarbonylContact O-C 3.5Å; C493-S501 WeakPolarHBondContact O-CA 3.34Å; C493-S501 VanDerWaalsContact O-CB 3.3Å; C493-S501 WeakPolarHBondContact O-CB 3.27Å
502E89.8Confident78.1Confident96 Ų9668.9 Ų68.945%0.44946%0.456SS..EExtended strand (participates in β ladder)trans-133.2152.9173.8-77.4-66.7165.400108.6I463 L465 S492 C493I463-E502 HydrophobicContact CG2-CB 3.73Å; L465-E502 HydrophobicContact CD1-CB 4.07Å; L465-E502 HydrophobicContact CD1-CG 3.94Å; S492-E502 CarbonylContact C-O 3.58Å; S492-E502 VanDerWaalsContact CA-O 3.28Å; S492-E502 WeakPolarHBondContact CA-O 3.47Å; C493-E502 PolarHBondContact N-O 2.8Å; C493-E502 PolarHBondContact O-N 2.86Å
503A87.9Confident77.5Confident53 Ų5370.9 Ų70.944%0.43847%0.468SS..EExtended strand (participates in β ladder)trans-147.2150.4178.200000112.2V491V491-A503 CarbonylContact O-C 3.47Å; V491-A503 VanDerWaalsContact O-CA 3.23Å; V491-A503 WeakPolarHBondContact O-CA 3.44Å
504V88Confident76.9Confident38 Ų3875.1 Ų75.123%0.2350%0.495CS..EExtended strand (participates in β ladder)trans-133.5142.7174.672.30000109.6I463 H490 V491I463-V504 HydrophobicContact CD1-CG1 3.69Å; I463-V504 HydrophobicContact CG1-CB 4.11Å; I463-V504 HydrophobicContact CG1-CG1 3.47Å; I463-V504 VanDerWaalsContact CG1-CG1 3.47Å; H490-V504 CarbonylContact C-O 3.44Å; H490-V504 WeakPolarHBondContact CA-O 3.47Å; V491-V504 HydrophobicContact CB-CG1 4.19Å; V491-V504 PolarHBondContact N-O 2.87Å; V491-V504 PolarHBondContact O-N 3Å
505T83.3Confident76.3Confident81 Ų8177.9 Ų77.950%0.49751%0.511SS..EExtended strand (participates in β ladder)trans-112.2126.5170.4-49.80000108.8H490H490-T505 PolarHBondContact ND1-OG1 2.82Å
506I85.9Confident75.7Confident26 Ų2683.1 Ų83.113%0.13355%0.545CS..EExtended strand (participates in β ladder)trans-104.9116.6177.4-54.6154.3000106L460 S488 V489L460-I506 HydrophobicContact CB-CD1 4.11Å; L460-I506 HydrophobicContact CD1-CD1 4.48Å; S488-I506 CarbonylContact C-O 3.54Å; S488-I506 VanDerWaalsContact CA-O 3.3Å; S488-I506 WeakPolarHBondContact CA-O 3.38Å; S488-I506 WeakPolarHBondContact CB-O 3.48Å; V489-I506 HydrophobicContact CB-CB 4.31Å; V489-I506 HydrophobicContact CB-CD1 4.23Å; V489-I506 HydrophobicContact CG1-CD1 4.42Å; V489-I506 PolarHBondContact N-O 3.31Å; V489-I506 WeakPolarHBondContact O-CB 3.46Å; V489-I506 PolarHBondContact O-N 3.04Å
507A78.4Confident75.4Confident83 Ų8381.1 Ų81.169%0.68655%0.547SS*.PPolyproline II helixtrans-65.1150.8175.600000110.3
508A69Low75.7Confident45 Ų4580.2 Ų80.237%0.37254%0.539SS..PPolyproline II helixtrans-61.2139.5172.700000110.2D486 S510D486-A508 WeakPolarHBondContact O-CB 3.46Å; A508-S510 PolarHBondContact O-N 2.75Å
509A55.5Low76Confident99 Ų9982.8 Ų82.882%0.81856%0.555SS**PPolyproline II helixtrans-69.8119.5169.700000108.7
510S34.1Very low76.3Confident190 Ų19084.8 Ų84.8100%1.32955%0.549SS*.  trans-61.50173.157.60000113.1A508A508-S510 PolarHBondContact O-N 2.75Å

Retrieved 510 of 510 residues in 144.8 ms (Link to these results)

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