A0A3Q0KLY3_SCHMA Loading...

GDP-fucose protein O-fucosyltransferase 2

AlphaFold DB , UniProt , Accession A0A3Q0KLY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 537 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
1M35.6Very low60Low239 Ų239106.4 Ų106.4100%1.17753%0.534SS*.  0105.40-78.3174.5160.800107.7R3M1-R3 PolarHBondContact O-N 3.45Å
2S34.1Very low63.2Low113 Ų11397.5 Ų97.579%0.7949%0.489SS*.  trans-64.5109.2165.830.90000107.1V4S2-V4 VanDerWaalsContact C-N 3.31Å; S2-V4 PolarHBondContact O-N 2.96Å
3R36.3Very low65.9Low166 Ų16690 Ų9063%0.62645%0.452SS*.  trans-6796.9170.9-81.9-175176.5-176.4-0.7107M1 C5 N57M1-R3 PolarHBondContact O-N 3.45Å; R3-C5 PolarHBondContact O-N 3.34Å; R3-N57 PolarHBondContact NH1-O 2.95Å; R3-N57 PolarHBondContact NH2-O 3.38Å
4V39.3Very low68.2Low121 Ų12183.6 Ų83.673%0.73342%0.42SS*.  trans-71.986.1162.3-177.80000105.6S2 I6S2-V4 VanDerWaalsContact C-N 3.31Å; S2-V4 PolarHBondContact O-N 2.96Å; V4-I6 HydrophobicContact CG1-CG1 4.12Å; V4-I6 PolarHBondContact O-N 2.87Å
5C43.3Very low69.9Low44 Ų4478.5 Ų78.530%0.29739%0.394SS..  trans-79.699.8167.8-78.40000107.2R3 Y7 T59R3-C5 PolarHBondContact O-N 3.34Å; C5-Y7 VanDerWaalsContact C-N 3.26Å; C5-Y7 PolarHBondContact O-N 3.29Å; C5-Y7 VanDerWaalsContact O-N 3.12Å; C5-T59 PolarHBondContact SG-OG1 2.76Å
6I49.7Very low71.3Confident150 Ų15073.8 Ų73.877%0.76937%0.37SS*.  trans-74.794.5160.6-53.8174.6000103.7V4 S8V4-I6 HydrophobicContact CG1-CG1 4.12Å; V4-I6 PolarHBondContact O-N 2.87Å; I6-S8 PolarHBondContact O-N 2.84Å; I6-S8 VanDerWaalsContact O-N 3.1Å
7Y60.5Low72.3Confident125 Ų12574.6 Ų74.649%0.4937%0.371SS..PPolyproline II helixtrans-52121.5173.4-63.3-75.9000107.9C5 K9 G60 D62C5-Y7 VanDerWaalsContact C-N 3.26Å; C5-Y7 PolarHBondContact O-N 3.29Å; C5-Y7 VanDerWaalsContact O-N 3.12Å; Y7-K9 PolarHBondContact O-N 2.82Å; Y7-G60 WeakPolarHBondContact CD1-O 3.39Å; Y7-G60 WeakPolarHBondContact CE1-O 3.31Å; Y7-D62 WeakPolarHBondContact CB-OD2 3.28Å
8S79Confident72.9Confident36 Ų3677.1 Ų77.125%0.25238%0.377SS..PPolyproline II helixtrans-81.9118.4171.564.70000107I6 R10 D61 D62I6-S8 PolarHBondContact O-N 2.84Å; I6-S8 VanDerWaalsContact O-N 3.1Å; S8-R10 PolarHBondContact O-N 2.95Å; S8-R10 PolarHBondContact OG-NE 3.49Å; S8-R10 PolarHBondContact OG-NH2 3.46Å; S8-D61 PolarHBondContact N-OD1 2.92Å; S8-D61 VanDerWaalsContact OG-CG 3.29Å; S8-D61 PolarHBondContact OG-OD1 3.29Å; S8-D62 PolarHBondContact O-N 2.8Å
9K90.2Very high73.5Confident120 Ų12074.1 Ų74.152%0.52237%0.368SS..EExtended strand (participates in β ladder)trans-61.1123.8173.1-168.7-179.1-169.9-172.50107.7Y7 Y11 I64Y7-K9 PolarHBondContact O-N 2.82Å; K9-Y11 HydrophobicContact CD-CE2 4.28Å; K9-Y11 WeakPolarHBondContact CE-OH 3.34Å; K9-Y11 HydrophobicContact CG-CE2 4.24Å; K9-Y11 PolarHBondContact NZ-OH 3.22Å; K9-I64 HydrophobicContact CD-CD1 4.31Å; K9-I64 HydrophobicContact CG-CD1 4.1Å
10R94.6Very high74.1Confident30 Ų3072.8 Ų72.811%0.11336%0.361CS..EExtended strand (participates in β ladder)trans-127.8152.6179-61.4-168.2-163.2-76.8-5.5110.8S8 D61 D62 W63 I64 I248 T249S8-R10 PolarHBondContact O-N 2.95Å; S8-R10 PolarHBondContact OG-NE 3.49Å; S8-R10 PolarHBondContact OG-NH2 3.46Å; R10-D61 HydrophobicContact CG-CB 4.26Å; R10-D61 IonicContact CZ-OD2 2.89Å; R10-D61 VanDerWaalsContact NE-CG 3.27Å; R10-D61 IonicContact NE-OD1 3.64Å; R10-D61 IonicContact NE-OD2 3.55Å; R10-D61 PolarHBondContact NE-OD2 2.99Å; R10-D61 IonicContact NH2-OD1 2.82Å; R10-D61 IonicContact NH2-OD2 3.33Å; R10-D61 PolarHBondContact NH2-OD2 3.26Å; R10-D62 PolarHBondContact N-O 3.37Å; R10-W63 HydrophobicContact CB-CD2 3.75Å; R10-W63 HydrophobicContact CB-CE3 3.61Å; R10-W63 HydrophobicContact CB-CG 4.4Å; R10-W63 HydrophobicContact CB-CH2 4.15Å; R10-W63 HydrophobicContact CB-CZ2 4.26Å; R10-W63 HydrophobicContact CB-CZ3 3.81Å; R10-W63 VanDerWaalsContact CD-CZ2 3.4Å; R10-W63 HydrophobicContact CG-CZ2 4.49Å; R10-W63 CarbonylContact O-C 3.49Å; R10-W63 WeakPolarHBondContact O-CA 3.17Å; R10-I64 PolarHBondContact O-N 3.47Å; R10-I248 PolarHBondContact NH1-O 2.83Å; R10-T249 CarbonylContact C-O 3.38Å; R10-T249 WeakPolarHBondContact CA-O 3.48Å
11Y97.2Very high74.8Confident26 Ų2669.8 Ų69.810%0.10235%0.349CS..EExtended strand (participates in β ladder)trans-121.8127.3179.3-61.1-89.9000109.9K9 I64 V66 M115 F120 T249 T250 L251K9-Y11 HydrophobicContact CD-CE2 4.28Å; K9-Y11 WeakPolarHBondContact CE-OH 3.34Å; K9-Y11 HydrophobicContact CG-CE2 4.24Å; K9-Y11 PolarHBondContact NZ-OH 3.22Å; Y11-I64 WeakPolarHBondContact CA-O 3.42Å; Y11-I64 HydrophobicContact CD1-CB 3.96Å; Y11-I64 HydrophobicContact CD1-CD1 4.46Å; Y11-I64 HydrophobicContact CD1-CG2 4.27Å; Y11-I64 HydrophobicContact CE1-CB 4.2Å; Y11-I64 HydrophobicContact CE1-CD1 3.89Å; Y11-I64 HydrophobicContact CE1-CG2 4.37Å; Y11-V66 HydrophobicContact CD1-CG2 3.77Å; Y11-V66 HydrophobicContact CG-CG2 4.39Å; Y11-M115 HydrophobicContact CD1-SD 4.26Å; Y11-M115 HydrophobicContact CE1-SD 3.81Å; Y11-F120 AromaticContact CD1-CD2 3.56Å; Y11-F120 HydrophobicContact CD1-CD2 3.56Å; Y11-F120 AromaticContact CD1-CE2 3.66Å; Y11-F120 HydrophobicContact CD1-CE2 3.66Å; Y11-F120 HydrophobicContact CD2-CD2 4.48Å; Y11-F120 AromaticContact CD2-CE2 3.75Å; Y11-F120 HydrophobicContact CD2-CE2 3.75Å; Y11-F120 AromaticContact CE1-CD2 3.62Å; Y11-F120 HydrophobicContact CE1-CD2 3.62Å; Y11-F120 AromaticContact CE1-CE2 3.83Å; Y11-F120 HydrophobicContact CE1-CE2 3.83Å; Y11-F120 AromaticContact CE2-CE2 3.94Å; Y11-F120 HydrophobicContact CE2-CE2 3.94Å; Y11-F120 AromaticContact CG-CD2 3.98Å; Y11-F120 HydrophobicContact CG-CD2 3.98Å; Y11-F120 AromaticContact CG-CE2 3.58Å; Y11-F120 HydrophobicContact CG-CE2 3.58Å; Y11-F120 AromaticContact CZ-CE2 3.94Å; Y11-T249 PolarHBondContact N-O 3.03Å; Y11-T250 HydrophobicContact CD2-CG2 4.2Å; Y11-T250 WeakPolarHBondContact O-CA 3.16Å; Y11-L251 PolarHBondContact O-N 3.38Å
12L98.6Very high77.5Confident0 Ų058.9 Ų58.90%030%0.295CS..EExtended strand (participates in β ladder)trans-105.8124171.1-170.3136.3000108.9V32 V36 L39 W63 I64 L65 V66 L251 L253L12-V32 HydrophobicContact CD2-CG1 3.59Å; L12-V36 HydrophobicContact CB-CG2 4.38Å; L12-V36 HydrophobicContact CD1-CG2 4.42Å; L12-V36 HydrophobicContact CD2-CG2 4.16Å; L12-L39 HydrophobicContact CD1-CD1 3.86Å; L12-W63 HydrophobicContact CB-CE3 3.81Å; L12-W63 HydrophobicContact CB-CZ3 3.91Å; L12-W63 HydrophobicContact CD1-CZ3 4.28Å; L12-I64 PolarHBondContact N-O 2.97Å; L12-L65 HydrophobicContact CD2-CD1 3.59Å; L12-V66 PolarHBondContact O-N 2.72Å; L12-L251 CarbonylContact C-O 3.59Å; L12-L251 WeakPolarHBondContact CA-O 3.48Å; L12-L251 HydrophobicContact CD1-CD2 4.13Å; L12-L253 HydrophobicContact CD1-CD1 4.13Å; L12-L253 HydrophobicContact CD1-CG 4.44Å; L12-L253 HydrophobicContact CD2-CD1 4.3Å
13F98.4Very high80.3Confident0 Ų054.2 Ų54.20%026%0.261CS..EExtended strand (participates in β ladder)trans-105.9151.3171.5-54.2-100.7000107.7V66 L117 F120 V143 F202 M216 T250 L251 Y252 L253F13-V66 HydrophobicContact CD1-CB 3.57Å; F13-V66 HydrophobicContact CD1-CG1 3.7Å; F13-V66 HydrophobicContact CD1-CG2 4.1Å; F13-V66 HydrophobicContact CE1-CB 3.61Å; F13-V66 HydrophobicContact CE1-CG1 3.56Å; F13-V66 HydrophobicContact CE1-CG2 3.69Å; F13-V66 HydrophobicContact CE2-CG2 4.43Å; F13-V66 HydrophobicContact CG-CB 4.22Å; F13-V66 HydrophobicContact CZ-CB 4.24Å; F13-V66 HydrophobicContact CZ-CG2 3.85Å; F13-L117 HydrophobicContact CD1-CD1 4.06Å; F13-L117 HydrophobicContact CE1-CD1 3.91Å; F13-F120 AromaticContact CE1-CD1 3.71Å; F13-F120 HydrophobicContact CE1-CD1 3.71Å; F13-F120 HydrophobicContact CE1-CD2 4.45Å; F13-F120 AromaticContact CE1-CE1 3.87Å; F13-F120 HydrophobicContact CE1-CE1 3.87Å; F13-F120 HydrophobicContact CE1-CG 4.05Å; F13-F120 HydrophobicContact CE1-CZ 4.31Å; F13-F120 HydrophobicContact CE2-CZ 4.4Å; F13-F120 AromaticContact CZ-CD1 3.74Å; F13-F120 HydrophobicContact CZ-CD1 3.74Å; F13-F120 HydrophobicContact CZ-CD2 4.01Å; F13-F120 AromaticContact CZ-CE1 3.48Å; F13-F120 HydrophobicContact CZ-CE1 3.48Å; F13-F120 VanDerWaalsContact CZ-CE1 3.48Å; F13-F120 AromaticContact CZ-CE2 3.74Å; F13-F120 HydrophobicContact CZ-CE2 3.74Å; F13-F120 HydrophobicContact CZ-CG 4.02Å; F13-F120 AromaticContact CZ-CZ 3.5Å; F13-F120 HydrophobicContact CZ-CZ 3.5Å; F13-F120 VanDerWaalsContact CZ-CZ 3.5Å; F13-V143 HydrophobicContact CD2-CG2 4.41Å; F13-V143 HydrophobicContact CE2-CG2 4.4Å; F13-F202 HydrophobicContact CB-CZ 4.19Å; F13-F202 HydrophobicContact CD1-CZ 4.02Å; F13-M216 HydrophobicContact CD1-CE 4.29Å; F13-M216 HydrophobicContact CE1-CE 3.87Å; F13-M216 HydrophobicContact CZ-CE 4.21Å; F13-T250 HydrophobicContact CE2-CG2 4.15Å; F13-L251 PolarHBondContact N-O 3.47Å; F13-Y252 HydrophobicContact CB-CD2 3.62Å; F13-Y252 HydrophobicContact CB-CE2 4.49Å; F13-Y252 HydrophobicContact CB-CG 4.29Å; F13-Y252 CarbonylContact O-C 3.59Å; F13-Y252 WeakPolarHBondContact O-CA 3.43Å; F13-L253 PolarHBondContact O-N 3.08Å
14Y98Very high82.9Confident1 Ų149.3 Ų49.30%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-145.1158.816875-79.9000109.7V16 V28 V32 L65 P68 F202 L253 A256Y14-V16 HydrophobicContact CD2-CG2 4.11Å; Y14-V16 HydrophobicContact CE2-CG2 3.89Å; Y14-V28 HydrophobicContact CD2-CG1 4.17Å; Y14-V28 HydrophobicContact CE2-CG1 3.95Å; Y14-V32 HydrophobicContact CD1-CB 4.33Å; Y14-V32 HydrophobicContact CD1-CG1 3.73Å; Y14-V32 HydrophobicContact CD1-CG2 4.26Å; Y14-V32 HydrophobicContact CD2-CG2 3.89Å; Y14-V32 HydrophobicContact CE1-CB 4.41Å; Y14-V32 HydrophobicContact CE1-CG1 4.11Å; Y14-V32 HydrophobicContact CE2-CG2 4.21Å; Y14-V32 HydrophobicContact CG-CB 4.46Å; Y14-V32 HydrophobicContact CG-CG1 4.08Å; Y14-V32 HydrophobicContact CG-CG2 3.89Å; Y14-L65 HydrophobicContact CD1-CD1 3.76Å; Y14-L65 HydrophobicContact CE1-CD1 3.94Å; Y14-L65 HydrophobicContact CE1-CD2 4.46Å; Y14-L65 HydrophobicContact CE1-CG 4.46Å; Y14-P68 HydrophobicContact CD1-CG 4.36Å; Y14-P68 HydrophobicContact CD2-CG 4.17Å; Y14-P68 HydrophobicContact CE1-CG 3.91Å; Y14-P68 HydrophobicContact CE2-CG 3.69Å; Y14-P68 WeakPolarHBondContact O-CB 3.31Å; Y14-F202 WeakPolarHBondContact O-CE1 3.26Å; Y14-L253 VanDerWaalsContact CA-O 3.26Å; Y14-L253 WeakPolarHBondContact CA-O 3.05Å; Y14-A256 HydrophobicContact CD2-CB 3.74Å; Y14-A256 HydrophobicContact CG-CB 4.3Å
15D94.1Very high85.6Confident6 Ų644.1 Ų44.13%0.03221%0.214CC..  trans-137.6162.5164-166.924.9000110.5R25 F202 E203 Y252 L253 S255 A256D15-R25 IonicContact OD1-NH1 3.75Å; D15-F202 HydrophobicContact CB-CD1 3.95Å; D15-F202 HydrophobicContact CB-CE1 4.44Å; D15-F202 WeakPolarHBondContact OD2-CA 3.24Å; D15-E203 PolarHBondContact OD2-N 3.47Å; D15-Y252 HydrophobicContact CB-CE2 4.36Å; D15-Y252 WeakPolarHBondContact CB-OH 3.37Å; D15-L253 PolarHBondContact N-O 3.13Å; D15-S255 PolarHBondContact O-N 3.26Å; D15-A256 WeakPolarHBondContact O-CB 3.27Å; D15-A256 PolarHBondContact O-N 2.69Å
16V92.7Very high88.1Confident3 Ų342.4 Ų42.42%0.01820%0.201CC..  trans-116.2142.7-176.8-171.30000107.9Y14 Y18 E20 R25 V28 Q257Y14-V16 HydrophobicContact CD2-CG2 4.11Å; Y14-V16 HydrophobicContact CE2-CG2 3.89Å; V16-Y18 PolarHBondContact O-N 2.85Å; V16-E20 HydrophobicContact CG1-CB 3.55Å; V16-E20 HydrophobicContact CG1-CG 3.54Å; V16-R25 HydrophobicContact CB-CG 4Å; V16-R25 HydrophobicContact CG1-CG 4Å; V16-R25 HydrophobicContact CG2-CG 4.17Å; V16-V28 HydrophobicContact CG1-CG2 4.17Å; V16-V28 HydrophobicContact CG2-CB 3.98Å; V16-V28 HydrophobicContact CG2-CG1 3.82Å; V16-V28 HydrophobicContact CG2-CG2 4.2Å; V16-Q257 HydrophobicContact CG1-CB 4.05Å
17F88.4Confident90.3Very high88 Ų8835.7 Ų35.739%0.38617%0.167SC..  trans-43.9133.7176.2171.8-107.6000112G19 E20 R25 Q257F17-G19 PolarHBondContact O-N 2.89Å; F17-E20 HydrophobicContact CB-CG 4.13Å; F17-E20 HydrophobicContact CD1-CG 4.29Å; F17-E20 VanDerWaalsContact O-CB 3.29Å; F17-E20 WeakPolarHBondContact O-CB 3.24Å; F17-E20 PolarHBondContact O-N 3.33Å; F17-R25 PolarHBondContact O-NH2 3.01Å; F17-Q257 VanDerWaalsContact CB-NE2 3.33Å
18Y82.4Confident92.1Very high119 Ų11929.9 Ų29.947%0.46715%0.145SC..THydrogen-bonded Turntrans-56.7-32.7-168.880.6-91.3000113.2V16 E20 R25 P74V16-Y18 PolarHBondContact O-N 2.85Å; Y18-E20 VanDerWaalsContact C-N 3.26Å; Y18-E20 PolarHBondContact O-N 3.11Å; Y18-R25 PolarHBondContact O-NH2 3.45Å; Y18-P74 HydrophobicContact CD2-CG 4.08Å; Y18-P74 HydrophobicContact CE2-CG 4.3Å; Y18-P74 WeakPolarHBondContact O-CD 3.3Å
19G83.4Confident93Very high21 Ų2128.2 Ų28.222%0.21613%0.133CC..THydrogen-bonded Turntrans-74.3-7.7178.100000115F17 H75F17-G19 PolarHBondContact O-N 2.89Å; G19-H75 PolarHBondContact O-NE2 2.96Å; G19-H75 VanDerWaalsContact O-NE2 3.12Å
20E86.4Confident93.4Very high47 Ų4722.5 Ų22.522%0.2211%0.108CC..  trans-72.8130176.8-69.2-67.116300111.5V16 F17 Y18 L24 R25 Q257V16-E20 HydrophobicContact CG1-CB 3.55Å; V16-E20 HydrophobicContact CG1-CG 3.54Å; F17-E20 HydrophobicContact CB-CG 4.13Å; F17-E20 HydrophobicContact CD1-CG 4.29Å; F17-E20 VanDerWaalsContact O-CB 3.29Å; F17-E20 WeakPolarHBondContact O-CB 3.24Å; F17-E20 PolarHBondContact O-N 3.33Å; Y18-E20 VanDerWaalsContact C-N 3.26Å; Y18-E20 PolarHBondContact O-N 3.11Å; E20-L24 VanDerWaalsContact OE2-CB 3.25Å; E20-L24 WeakPolarHBondContact OE2-CB 3.22Å; E20-L24 WeakPolarHBondContact OE2-CD1 3.49Å; E20-R25 HydrophobicContact CB-CG 4.26Å; E20-R25 PolarHBondContact O-NE 3.26Å; E20-Q257 HydrophobicContact CG-CB 4.46Å; E20-Q257 HydrophobicContact CG-CG 4.42Å
21G88.6Confident93.6Very high10 Ų1022.9 Ų22.910%0.10311%0.109CC..  trans-73167.7179.900000114.4N23 L24 R25 H75G21-N23 VanDerWaalsContact C-N 3.27Å; G21-N23 PolarHBondContact O-N 3.16Å; G21-L24 PolarHBondContact O-N 3.12Å; G21-L24 VanDerWaalsContact O-N 3.13Å; G21-R25 WeakPolarHBondContact O-CG 3.28Å; G21-R25 PolarHBondContact O-N 2.77Å; G21-H75 VanDerWaalsContact CA-CD2 3.46Å; G21-H75 WeakPolarHBondContact CA-CD2 3.28Å
22F91.7Very high93.6Very high11 Ų1121.6 Ų21.65%0.04810%0.104CC..Hα-helixtrans-51.7-42.2-175.8-172.5-118000113.6R26 W70 L73 W76 F102 F103 I436F22-R26 PolarHBondContact O-N 3.02Å; F22-W70 HydrophobicContact CD2-CD2 4.05Å; F22-W70 AromaticContact CD2-CE3 3.36Å; F22-W70 HydrophobicContact CD2-CE3 3.36Å; F22-W70 AromaticContact CD2-CH2 3.94Å; F22-W70 HydrophobicContact CD2-CH2 3.94Å; F22-W70 AromaticContact CD2-CZ3 3.26Å; F22-W70 HydrophobicContact CD2-CZ3 3.26Å; F22-W70 AromaticContact CE2-CD2 3.71Å; F22-W70 HydrophobicContact CE2-CD2 3.71Å; F22-W70 AromaticContact CE2-CE2 3.95Å; F22-W70 AromaticContact CE2-CE3 3.51Å; F22-W70 HydrophobicContact CE2-CE3 3.51Å; F22-W70 HydrophobicContact CE2-CG 4.44Å; F22-W70 AromaticContact CE2-CH2 3.8Å; F22-W70 HydrophobicContact CE2-CH2 3.8Å; F22-W70 HydrophobicContact CE2-CZ2 4.01Å; F22-W70 AromaticContact CE2-CZ3 3.52Å; F22-W70 HydrophobicContact CE2-CZ3 3.52Å; F22-W70 HydrophobicContact CG-CZ3 4.2Å; F22-L73 HydrophobicContact CB-CD1 3.82Å; F22-L73 HydrophobicContact CD2-CD1 4.09Å; F22-L73 HydrophobicContact CG-CD1 4.46Å; F22-W76 AromaticContact CD2-CZ2 3.69Å; F22-W76 HydrophobicContact CD2-CZ2 3.69Å; F22-W76 HydrophobicContact CE2-CZ2 4.1Å; F22-W76 HydrophobicContact CG-CZ2 4.31Å; F22-F102 AromaticContact CE2-CD2 3.7Å; F22-F102 HydrophobicContact CE2-CD2 3.7Å; F22-F102 AromaticContact CE2-CE2 3.92Å; F22-F102 HydrophobicContact CE2-CE2 3.92Å; F22-F102 HydrophobicContact CE2-CG 4.25Å; F22-F102 HydrophobicContact CZ-CB 4.25Å; F22-F102 HydrophobicContact CZ-CD1 4.45Å; F22-F102 AromaticContact CZ-CD2 3.85Å; F22-F102 HydrophobicContact CZ-CD2 3.85Å; F22-F102 HydrophobicContact CZ-CE2 4.33Å; F22-F102 AromaticContact CZ-CG 3.92Å; F22-F102 HydrophobicContact CZ-CG 3.92Å; F22-F103 HydrophobicContact CE1-CZ 4.39Å; F22-F103 HydrophobicContact CZ-CE2 4.14Å; F22-F103 AromaticContact CZ-CZ 3.95Å; F22-F103 HydrophobicContact CZ-CZ 3.95Å; F22-I436 HydrophobicContact CE1-CD1 3.9Å; F22-I436 HydrophobicContact CE1-CG1 3.81Å; F22-I436 HydrophobicContact CZ-CD1 3.8Å; F22-I436 HydrophobicContact CZ-CG1 4.23Å
23N93.1Very high93.7Very high14 Ų1421.6 Ų21.68%0.07510%0.104CC..Hα-helixtrans-76-33.6-177.4-57.4-32.3000113.5G21 R26 D27 F456 R459G21-N23 VanDerWaalsContact C-N 3.27Å; G21-N23 PolarHBondContact O-N 3.16Å; N23-R26 WeakPolarHBondContact O-CB 3.5Å; N23-R26 PolarHBondContact O-N 2.77Å; N23-R26 PolarHBondContact OD1-NH2 3.33Å; N23-D27 PolarHBondContact O-N 3.28Å; N23-F456 WeakPolarHBondContact ND2-CA 3.43Å; N23-F456 WeakPolarHBondContact ND2-CB 3.32Å; N23-F456 PolarHBondContact ND2-N 2.67Å; N23-R459 HydrophobicContact CB-CG 4.02Å; N23-R459 PolarHBondContact O-NH1 2.95Å
24L91.9Very high93.7Very high63 Ų6321.7 Ų21.733%0.3311%0.105SC..Hα-helixtrans-72.1-37.7177.6-72.6169.8000110.4E20 G21 R26 D27 V28 T455E20-L24 VanDerWaalsContact OE2-CB 3.25Å; E20-L24 WeakPolarHBondContact OE2-CB 3.22Å; E20-L24 WeakPolarHBondContact OE2-CD1 3.49Å; G21-L24 PolarHBondContact O-N 3.12Å; G21-L24 VanDerWaalsContact O-N 3.13Å; L24-R26 VanDerWaalsContact C-N 3.31Å; L24-R26 PolarHBondContact O-N 3.38Å; L24-D27 WeakPolarHBondContact O-CA 3.34Å; L24-D27 WeakPolarHBondContact O-CB 3.32Å; L24-D27 PolarHBondContact O-N 3.17Å; L24-V28 WeakPolarHBondContact O-CG2 3.22Å; L24-V28 PolarHBondContact O-N 3.35Å; L24-T455 HydrophobicContact CD1-CG2 4.37Å; L24-T455 HydrophobicContact CD2-CG2 3.66Å; L24-T455 HydrophobicContact CG-CG2 3.93Å
25R94.9Very high93.7Very high13 Ų1321.6 Ų21.65%0.04910%0.104CC..Hα-helixtrans-60.6-36.9172-71.4178.1-178.1-112.71.9113.1D15 V16 F17 Y18 E20 G21 D27 V28 Y29 W70 L73D15-R25 IonicContact OD1-NH1 3.75Å; V16-R25 HydrophobicContact CB-CG 4Å; V16-R25 HydrophobicContact CG1-CG 4Å; V16-R25 HydrophobicContact CG2-CG 4.17Å; F17-R25 PolarHBondContact O-NH2 3.01Å; Y18-R25 PolarHBondContact O-NH2 3.45Å; E20-R25 HydrophobicContact CB-CG 4.26Å; E20-R25 PolarHBondContact O-NE 3.26Å; G21-R25 WeakPolarHBondContact O-CG 3.28Å; G21-R25 PolarHBondContact O-N 2.77Å; R25-D27 VanDerWaalsContact C-N 3.31Å; R25-V28 PolarHBondContact O-N 3.35Å; R25-Y29 PolarHBondContact O-N 3.32Å; R25-Y29 VanDerWaalsContact O-N 3.14Å; R25-W70 HydrophobicContact CB-CE3 4.43Å; R25-W70 HydrophobicContact CB-CH2 3.9Å; R25-W70 HydrophobicContact CB-CZ3 3.47Å; R25-W70 VanDerWaalsContact CB-CZ3 3.47Å; R25-W70 HydrophobicContact CG-CZ3 4.29Å; R25-L73 VanDerWaalsContact CZ-CD2 3.44Å; R25-L73 VanDerWaalsContact NE-CD2 3.25Å
26R95.4Very high93.9Very high7 Ų721.3 Ų21.33%0.02610%0.103CC..Hα-helixtrans-62.3-37.7169.5-79.1-167.7-85.4-179.91.6112.8F22 N23 L24 V28 Y29 W70 F103 Q439F22-R26 PolarHBondContact O-N 3.02Å; N23-R26 WeakPolarHBondContact O-CB 3.5Å; N23-R26 PolarHBondContact O-N 2.77Å; N23-R26 PolarHBondContact OD1-NH2 3.33Å; L24-R26 VanDerWaalsContact C-N 3.31Å; L24-R26 PolarHBondContact O-N 3.38Å; R26-V28 VanDerWaalsContact C-N 3.34Å; R26-Y29 WeakPolarHBondContact O-CB 3.38Å; R26-Y29 PolarHBondContact O-N 3.2Å; R26-W70 HydrophobicContact CG-CH2 3.98Å; R26-F103 VanDerWaalsContact CD-CZ 3.41Å; R26-F103 HydrophobicContact CG-CE2 4.26Å; R26-F103 HydrophobicContact CG-CZ 3.91Å; R26-Q439 VanDerWaalsContact CZ-OE1 3.25Å
27D96.3Very high94.2Very high10 Ų1021.7 Ų21.75%0.05310%0.104CC..Hα-helixtrans-65-40.9176.7-150.576000111.8N23 L24 R25 Y29 I30 R31 H261 R459N23-D27 PolarHBondContact O-N 3.28Å; L24-D27 WeakPolarHBondContact O-CA 3.34Å; L24-D27 WeakPolarHBondContact O-CB 3.32Å; L24-D27 PolarHBondContact O-N 3.17Å; R25-D27 VanDerWaalsContact C-N 3.31Å; D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 PolarHBondContact O-N 3.29Å; D27-I30 WeakPolarHBondContact O-CB 3.37Å; D27-I30 PolarHBondContact O-N 2.68Å; D27-I30 VanDerWaalsContact O-N 3.15Å; D27-R31 IonicContact OD2-CZ 2.83Å; D27-R31 IonicContact OD2-NE 2.72Å; D27-R31 PolarHBondContact OD2-NE 3.23Å; D27-R31 IonicContact OD2-NH2 3.54Å; D27-R31 PolarHBondContact OD2-NH2 3.11Å; D27-H261 IonicContact OD1-NE2 3.4Å; D27-H261 IonicContact OD2-CD2 3.91Å; D27-H261 IonicContact OD2-CE1 3.18Å; D27-H261 IonicContact OD2-NE2 2.75Å; D27-H261 PolarHBondContact OD2-NE2 2.74Å; D27-R459 IonicContact OD1-CZ 3.45Å; D27-R459 IonicContact OD1-NH1 2.8Å; D27-R459 PolarHBondContact OD1-NH1 2.97Å; D27-R459 IonicContact OD1-NH2 2.89Å; D27-R459 PolarHBondContact OD1-NH2 2.77Å
28V97.8Very high94.6Very high3 Ų317.5 Ų17.52%0.0189%0.085CC..Hα-helixtrans-63.6-36.9176.3178.50000111.6Y14 V16 L24 R25 R26 I30 R31 V32 A256 Q257Y14-V28 HydrophobicContact CD2-CG1 4.17Å; Y14-V28 HydrophobicContact CE2-CG1 3.95Å; V16-V28 HydrophobicContact CG1-CG2 4.17Å; V16-V28 HydrophobicContact CG2-CB 3.98Å; V16-V28 HydrophobicContact CG2-CG1 3.82Å; V16-V28 HydrophobicContact CG2-CG2 4.2Å; L24-V28 WeakPolarHBondContact O-CG2 3.22Å; L24-V28 PolarHBondContact O-N 3.35Å; R25-V28 PolarHBondContact O-N 3.35Å; R26-V28 VanDerWaalsContact C-N 3.34Å; V28-I30 PolarHBondContact O-N 2.77Å; V28-R31 PolarHBondContact O-N 3.02Å; V28-R31 VanDerWaalsContact O-N 3.13Å; V28-V32 HydrophobicContact CG1-CG2 3.98Å; V28-V32 WeakPolarHBondContact O-CG2 3.27Å; V28-V32 PolarHBondContact O-N 2.94Å; V28-A256 HydrophobicContact CG1-CB 3.65Å; V28-Q257 HydrophobicContact CG2-CB 3.94Å
29Y98.6Very high95.2Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-54.3-42.7173.5168.1-93.6000111.7R25 R26 D27 R31 V32 A33 L65 L67 W99 L108 V114 V274 I278R25-Y29 PolarHBondContact O-N 3.32Å; R25-Y29 VanDerWaalsContact O-N 3.14Å; R26-Y29 WeakPolarHBondContact O-CB 3.38Å; R26-Y29 PolarHBondContact O-N 3.2Å; D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 PolarHBondContact O-N 3.29Å; Y29-R31 VanDerWaalsContact C-N 3.28Å; Y29-R31 PolarHBondContact O-N 2.9Å; Y29-V32 PolarHBondContact O-N 3.39Å; Y29-A33 HydrophobicContact CE1-CB 4.1Å; Y29-A33 HydrophobicContact CE2-CB 4.13Å; Y29-A33 WeakPolarHBondContact O-CB 3.37Å; Y29-A33 PolarHBondContact O-N 3.33Å; Y29-L65 HydrophobicContact CD2-CD2 3.99Å; Y29-L65 HydrophobicContact CE2-CD2 3.64Å; Y29-L67 HydrophobicContact CD2-CD2 3.71Å; Y29-L67 HydrophobicContact CE2-CD2 3.67Å; Y29-W99 VanDerWaalsContact CB-CH2 3.47Å; Y29-W99 HydrophobicContact CD1-CH2 4.42Å; Y29-W99 AromaticContact CD2-CH2 3.98Å; Y29-W99 HydrophobicContact CD2-CH2 3.98Å; Y29-W99 HydrophobicContact CD2-CZ2 4.44Å; Y29-W99 HydrophobicContact CD2-CZ3 4.27Å; Y29-W99 AromaticContact CG-CH2 3.69Å; Y29-W99 HydrophobicContact CG-CH2 3.69Å; Y29-W99 HydrophobicContact CG-CZ2 4.45Å; Y29-W99 HydrophobicContact CG-CZ3 4.11Å; Y29-L108 HydrophobicContact CE1-CD2 3.73Å; Y29-L108 WeakPolarHBondContact OH-CD2 3.44Å; Y29-V114 HydrophobicContact CE2-CG1 4.26Å; Y29-V274 HydrophobicContact CD1-CG1 4.07Å; Y29-V274 HydrophobicContact CE1-CG1 3.54Å; Y29-I278 HydrophobicContact CD1-CD1 3.6Å; Y29-I278 HydrophobicContact CD1-CG1 3.83Å; Y29-I278 HydrophobicContact CE1-CD1 3.99Å; Y29-I278 HydrophobicContact CE1-CG1 3.72Å
30I98.7Very high95.8Very high1 Ų114.4 Ų14.41%0.0057%0.066CC..Hα-helixtrans-56.9-45.5179.2-64.9169.4000111D27 V28 N34 Y271 V274 R275 I278D27-I30 WeakPolarHBondContact O-CB 3.37Å; D27-I30 PolarHBondContact O-N 2.68Å; D27-I30 VanDerWaalsContact O-N 3.15Å; V28-I30 PolarHBondContact O-N 2.77Å; I30-N34 WeakPolarHBondContact O-CB 3.09Å; I30-N34 PolarHBondContact O-N 3.24Å; I30-Y271 HydrophobicContact CD1-CD2 4.41Å; I30-Y271 HydrophobicContact CD1-CE2 3.72Å; I30-Y271 HydrophobicContact CG2-CD2 3.76Å; I30-Y271 HydrophobicContact CG2-CE2 4.06Å; I30-Y271 HydrophobicContact CG2-CG 4.5Å; I30-V274 HydrophobicContact CB-CB 4.49Å; I30-V274 HydrophobicContact CB-CG1 4.32Å; I30-V274 HydrophobicContact CG1-CB 4.39Å; I30-V274 HydrophobicContact CG1-CG1 4.13Å; I30-V274 HydrophobicContact CG2-CB 4.06Å; I30-V274 HydrophobicContact CG2-CG1 4.4Å; I30-V274 HydrophobicContact CG2-CG2 4.5Å; I30-R275 HydrophobicContact CD1-CB 4.06Å; I30-I278 HydrophobicContact CD1-CD1 4.19Å; I30-I278 HydrophobicContact CG1-CD1 3.79Å
31R98.3Very high96.2Very high37 Ų3714.7 Ų14.714%0.147%0.07CC..Hα-helixtrans-67.6-43.6-179-55.4175.9-162.2169.23.6111.9D27 V28 Y29 T35 P230 Q257 I259 H261D27-R31 IonicContact OD2-CZ 2.83Å; D27-R31 IonicContact OD2-NE 2.72Å; D27-R31 PolarHBondContact OD2-NE 3.23Å; D27-R31 IonicContact OD2-NH2 3.54Å; D27-R31 PolarHBondContact OD2-NH2 3.11Å; V28-R31 PolarHBondContact O-N 3.02Å; V28-R31 VanDerWaalsContact O-N 3.13Å; Y29-R31 VanDerWaalsContact C-N 3.28Å; Y29-R31 PolarHBondContact O-N 2.9Å; R31-T35 PolarHBondContact O-N 3.33Å; R31-T35 PolarHBondContact O-OG1 3.12Å; R31-P230 WeakPolarHBondContact O-CG 3.39Å; R31-Q257 PolarHBondContact NH1-O 3.22Å; R31-I259 HydrophobicContact CB-CB 4.21Å; R31-I259 HydrophobicContact CB-CG2 3.74Å; R31-I259 WeakPolarHBondContact CD-O 3.39Å; R31-I259 PolarHBondContact NH1-O 3.21Å; R31-H261 VanDerWaalsContact CG-CE1 3.4Å; R31-H261 WeakPolarHBondContact CG-CE1 3.35Å; R31-H261 VanDerWaalsContact CG-ND1 3.27Å; R31-H261 WeakPolarHBondContact CG-ND1 3.2Å; R31-H261 PolarHBondContact NE-NE2 3.43Å
32V98.8Very high96.4Very high0 Ų014.3 Ų14.30%07%0.065CC..Hα-helixtrans-68.1-42.9178.3176.80000110.9L12 Y14 V28 Y29 N34 T35 V36 L65 A256 I259L12-V32 HydrophobicContact CD2-CG1 3.59Å; Y14-V32 HydrophobicContact CD1-CB 4.33Å; Y14-V32 HydrophobicContact CD1-CG1 3.73Å; Y14-V32 HydrophobicContact CD1-CG2 4.26Å; Y14-V32 HydrophobicContact CD2-CG2 3.89Å; Y14-V32 HydrophobicContact CE1-CB 4.41Å; Y14-V32 HydrophobicContact CE1-CG1 4.11Å; Y14-V32 HydrophobicContact CE2-CG2 4.21Å; Y14-V32 HydrophobicContact CG-CB 4.46Å; Y14-V32 HydrophobicContact CG-CG1 4.08Å; Y14-V32 HydrophobicContact CG-CG2 3.89Å; V28-V32 HydrophobicContact CG1-CG2 3.98Å; V28-V32 WeakPolarHBondContact O-CG2 3.27Å; V28-V32 PolarHBondContact O-N 2.94Å; Y29-V32 PolarHBondContact O-N 3.39Å; V32-N34 VanDerWaalsContact C-N 3.33Å; V32-N34 PolarHBondContact O-N 2.89Å; V32-T35 WeakPolarHBondContact O-CA 3.43Å; V32-T35 VanDerWaalsContact O-CB 3.26Å; V32-T35 WeakPolarHBondContact O-CB 3.39Å; V32-T35 PolarHBondContact O-N 2.84Å; V32-V36 WeakPolarHBondContact O-CG2 3.46Å; V32-V36 PolarHBondContact O-N 2.86Å; V32-L65 HydrophobicContact CG1-CD1 3.63Å; V32-L65 HydrophobicContact CG1-CD2 4.22Å; V32-A256 HydrophobicContact CG2-CB 4.06Å; V32-I259 HydrophobicContact CG2-CD1 3.87Å
33A98.8Very high96.5Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-64.4-39.1179.500000111.6Y29 T35 V36 R37 L65 F111 I112 V274Y29-A33 HydrophobicContact CE1-CB 4.1Å; Y29-A33 HydrophobicContact CE2-CB 4.13Å; Y29-A33 WeakPolarHBondContact O-CB 3.37Å; Y29-A33 PolarHBondContact O-N 3.33Å; A33-T35 VanDerWaalsContact C-N 3.32Å; A33-T35 PolarHBondContact O-N 2.79Å; A33-V36 PolarHBondContact O-N 3.36Å; A33-R37 PolarHBondContact O-N 3.2Å; A33-L65 HydrophobicContact CB-CD2 4.39Å; A33-F111 HydrophobicContact CB-CD1 4.32Å; A33-F111 HydrophobicContact CB-CE1 3.85Å; A33-I112 HydrophobicContact CB-CD1 3.53Å; A33-I112 HydrophobicContact CB-CG1 4.42Å; A33-V274 HydrophobicContact CB-CG1 3.8Å
34N98.7Very high96.5Very high1 Ų118.2 Ų18.21%0.0059%0.09CC..Hα-helixtrans-65-33.6170.7-89.9-25.1000113.2I30 V32 R37 L38 P230 W264 V274I30-N34 WeakPolarHBondContact O-CB 3.09Å; I30-N34 PolarHBondContact O-N 3.24Å; V32-N34 VanDerWaalsContact C-N 3.33Å; V32-N34 PolarHBondContact O-N 2.89Å; N34-R37 WeakPolarHBondContact O-CB 2.84Å; N34-R37 PolarHBondContact O-N 3.01Å; N34-L38 PolarHBondContact O-N 2.98Å; N34-P230 HydrophobicContact CB-CB 4.23Å; N34-P230 HydrophobicContact CB-CG 4.13Å; N34-W264 HydrophobicContact CB-CE3 3.65Å; N34-W264 HydrophobicContact CB-CZ3 3.8Å; N34-V274 WeakPolarHBondContact OD1-CG2 3.44Å
35T98.7Very high96.7Very high0 Ų015.3 Ų15.30%08%0.075CC..Hα-helixtrans-62.9-45.9170.5-540000110.3R31 V32 A33 R37 L38 L39 L233 A234 L237R31-T35 PolarHBondContact O-N 3.33Å; R31-T35 PolarHBondContact O-OG1 3.12Å; V32-T35 WeakPolarHBondContact O-CA 3.43Å; V32-T35 VanDerWaalsContact O-CB 3.26Å; V32-T35 WeakPolarHBondContact O-CB 3.39Å; V32-T35 PolarHBondContact O-N 2.84Å; A33-T35 VanDerWaalsContact C-N 3.32Å; A33-T35 PolarHBondContact O-N 2.79Å; T35-R37 PolarHBondContact O-N 3.36Å; T35-L38 PolarHBondContact O-N 2.03Å; T35-L39 HydrophobicContact CG2-CD1 4.44Å; T35-L39 WeakPolarHBondContact O-CG 3.41Å; T35-L39 PolarHBondContact O-N 2.8Å; T35-L233 HydrophobicContact CG2-CD2 4.02Å; T35-L233 HydrophobicContact CG2-CG 4.15Å; T35-A234 HydrophobicContact CG2-CB 4.42Å; T35-L237 HydrophobicContact CG2-CD1 4.23Å
36V98.6Very high96.6Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-63.1-40.7178172.90000112L12 V32 A33 L38 L39 R40 W63 L65 I112L12-V36 HydrophobicContact CB-CG2 4.38Å; L12-V36 HydrophobicContact CD1-CG2 4.42Å; L12-V36 HydrophobicContact CD2-CG2 4.16Å; V32-V36 WeakPolarHBondContact O-CG2 3.46Å; V32-V36 PolarHBondContact O-N 2.86Å; A33-V36 PolarHBondContact O-N 3.36Å; V36-L38 VanDerWaalsContact C-N 3.28Å; V36-L38 PolarHBondContact O-N 3.07Å; V36-L39 PolarHBondContact O-N 2.84Å; V36-L39 VanDerWaalsContact O-N 3.11Å; V36-R40 HydrophobicContact CG1-CG 4.24Å; V36-R40 WeakPolarHBondContact O-CG 3.15Å; V36-R40 PolarHBondContact O-N 2.66Å; V36-W63 HydrophobicContact CG1-CB 3.96Å; V36-L65 HydrophobicContact CG2-CB 4.32Å; V36-L65 HydrophobicContact CG2-CD1 4.3Å; V36-I112 HydrophobicContact CB-CD1 3.76Å; V36-I112 HydrophobicContact CG1-CB 4.25Å; V36-I112 HydrophobicContact CG1-CD1 3.78Å; V36-I112 HydrophobicContact CG1-CG2 4.26Å; V36-I112 HydrophobicContact CG2-CD1 4.39Å
37R97.5Very high96.4Very high10 Ų1021.2 Ų21.24%0.03811%0.11CC..Hα-helixtrans-50.4-48.5172.2168.9-174174.6147.86.8111.5A33 N34 T35 R40 D41 F111 I112 E510A33-R37 PolarHBondContact O-N 3.2Å; N34-R37 WeakPolarHBondContact O-CB 2.84Å; N34-R37 PolarHBondContact O-N 3.01Å; T35-R37 PolarHBondContact O-N 3.36Å; R37-R40 PolarHBondContact O-N 2.83Å; R37-D41 PolarHBondContact O-N 2.83Å; R37-F111 HydrophobicContact CB-CE2 4.49Å; R37-F111 HydrophobicContact CB-CZ 3.83Å; R37-F111 HydrophobicContact CG-CE2 4.45Å; R37-F111 HydrophobicContact CG-CZ 4.2Å; R37-I112 HydrophobicContact CB-CG2 4.43Å; R37-E510 IonicContact CZ-OE1 3.48Å; R37-E510 IonicContact CZ-OE2 3.33Å; R37-E510 IonicContact NH1-OE1 3.87Å; R37-E510 IonicContact NH1-OE2 3.61Å; R37-E510 PolarHBondContact NH1-OE2 3.03Å; R37-E510 VanDerWaalsContact NH2-CD 3.27Å; R37-E510 IonicContact NH2-OE1 3.34Å; R37-E510 PolarHBondContact NH2-OE1 3.28Å; R37-E510 IonicContact NH2-OE2 3.99Å; R37-E510 PolarHBondContact NH2-OE2 2.86Å
38L96.9Very high96.1Very high0 Ų026.3 Ų26.30%013%0.132CC..Hα-helixtrans-70.6-32.8178.5-69.6175.4000113.6N34 T35 V36 R40 D41 P42 Q44 I45 P230 I231 A234 W264N34-L38 PolarHBondContact O-N 2.98Å; T35-L38 PolarHBondContact O-N 2.03Å; V36-L38 VanDerWaalsContact C-N 3.28Å; V36-L38 PolarHBondContact O-N 3.07Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-D41 CarbonylContact O-C 3.58Å; L38-D41 PolarHBondContact O-N 2.71Å; L38-P42 WeakPolarHBondContact O-CA 3.4Å; L38-P42 VanDerWaalsContact O-N 3.09Å; L38-Q44 HydrophobicContact CD2-CB 3.79Å; L38-I45 HydrophobicContact CB-CG1 4.25Å; L38-I45 HydrophobicContact CD1-CG1 4.46Å; L38-I45 HydrophobicContact CD2-CG1 3.74Å; L38-I45 HydrophobicContact CG-CG1 4.38Å; L38-P230 HydrophobicContact CD1-CB 4.19Å; L38-P230 WeakPolarHBondContact CD1-O 3.39Å; L38-I231 HydrophobicContact CD1-CB 4.44Å; L38-I231 HydrophobicContact CD1-CG2 4.17Å; L38-A234 HydrophobicContact CB-CB 3.43Å; L38-A234 VanDerWaalsContact CB-CB 3.43Å; L38-A234 HydrophobicContact CD1-CB 3.94Å; L38-A234 HydrophobicContact CG-CB 4.36Å; L38-W264 HydrophobicContact CD1-CH2 3.57Å; L38-W264 HydrophobicContact CD1-CZ2 4.35Å; L38-W264 HydrophobicContact CD1-CZ3 3.64Å; L38-W264 HydrophobicContact CD2-CH2 3.29Å; L38-W264 HydrophobicContact CD2-CZ2 3.99Å; L38-W264 HydrophobicContact CD2-CZ3 4.13Å; L38-W264 HydrophobicContact CG-CH2 3.37Å; L38-W264 HydrophobicContact CG-CZ2 4.39Å; L38-W264 HydrophobicContact CG-CZ3 3.67Å
39L96.4Very high95.8Very high1 Ų126.2 Ų26.21%0.00513%0.131CC..Hα-helixtrans-66.9-33173.9-67.4177000112.3L12 T35 V36 G60 W63 A234 L237 I238L12-L39 HydrophobicContact CD1-CD1 3.86Å; T35-L39 HydrophobicContact CG2-CD1 4.44Å; T35-L39 WeakPolarHBondContact O-CG 3.41Å; T35-L39 PolarHBondContact O-N 2.8Å; V36-L39 PolarHBondContact O-N 2.84Å; V36-L39 VanDerWaalsContact O-N 3.11Å; L39-G60 WeakPolarHBondContact O-CA 3.27Å; L39-W63 HydrophobicContact CB-CD2 4.33Å; L39-W63 HydrophobicContact CB-CG 3.98Å; L39-W63 HydrophobicContact CD1-CD2 4.03Å; L39-W63 HydrophobicContact CD1-CE3 4.41Å; L39-W63 HydrophobicContact CD1-CG 4.42Å; L39-W63 HydrophobicContact CD1-CH2 4.5Å; L39-W63 HydrophobicContact CD1-CZ2 4.12Å; L39-A234 HydrophobicContact CD2-CB 4.21Å; L39-A234 HydrophobicContact CG-CB 4.47Å; L39-L237 HydrophobicContact CD1-CD1 4.42Å; L39-L237 HydrophobicContact CD2-CB 4.06Å; L39-I238 HydrophobicContact CD2-CD1 4.23Å; L39-I238 HydrophobicContact CD2-CG1 3.64Å
40R95Very high95.3Very high74 Ų7427.2 Ų27.228%0.27914%0.136SC..Hα-helixtrans-80.3-31.4175.9-67.5-177.465.872.317.6112.8V36 R37 L38 G60 D62 W63V36-R40 HydrophobicContact CG1-CG 4.24Å; V36-R40 WeakPolarHBondContact O-CG 3.15Å; V36-R40 PolarHBondContact O-N 2.66Å; R37-R40 PolarHBondContact O-N 2.83Å; L38-R40 VanDerWaalsContact C-N 3.3Å; R40-G60 VanDerWaalsContact O-CA 3.29Å; R40-G60 WeakPolarHBondContact O-CA 3.43Å; R40-D62 IonicContact CZ-OD1 2.64Å; R40-D62 IonicContact NH1-OD1 3.79Å; R40-D62 PolarHBondContact NH1-OD1 2.78Å; R40-D62 IonicContact NH2-OD1 3.78Å; R40-D62 PolarHBondContact NH2-OD1 2.87Å; R40-D62 VanDerWaalsContact NH2-OD1 3.08Å; R40-W63 HydrophobicContact CG-CB 3.84Å; R40-W63 PolarHBondContact NH1-O 3.42Å
41D94.5Very high94.5Very high54 Ų5429.4 Ų29.429%0.28915%0.146SC..  trans-136.680.9177.2-172.14.2000111.8R37 L38 S43 Q44R37-D41 PolarHBondContact O-N 2.83Å; L38-D41 CarbonylContact O-C 3.58Å; L38-D41 PolarHBondContact O-N 2.71Å; D41-S43 PolarHBondContact O-N 2.71Å; D41-S43 VanDerWaalsContact OD1-CB 3.27Å; D41-S43 WeakPolarHBondContact OD1-CB 3.29Å; D41-S43 PolarHBondContact OD1-N 3.37Å; D41-S43 PolarHBondContact OD1-OG 2.85Å; D41-Q44 HydrophobicContact CB-CG 4.31Å; D41-Q44 PolarHBondContact O-N 2.95Å; D41-Q44 VanDerWaalsContact O-N 3.13Å; D41-Q44 WeakPolarHBondContact OD2-CG 3.44Å; D41-Q44 PolarHBondContact OD2-NE2 2.88Å
42P94.3Very high93.7Very high2 Ų236 Ų361%0.01318%0.184CC..G310 helixtrans-61.6-13.1178.6-24.735.3000113.9L38 Q44 I45 V55 I238L38-P42 WeakPolarHBondContact O-CA 3.4Å; L38-P42 VanDerWaalsContact O-N 3.09Å; P42-Q44 PolarHBondContact O-N 2.64Å; P42-I45 HydrophobicContact CB-CD1 4.05Å; P42-I45 WeakPolarHBondContact O-CB 3.32Å; P42-I45 WeakPolarHBondContact O-CG1 3.39Å; P42-I45 PolarHBondContact O-N 2.73Å; P42-V55 WeakPolarHBondContact CB-O 3.24Å; P42-I238 HydrophobicContact CB-CD1 4.02Å; P42-I238 HydrophobicContact CG-CD1 3.73Å
43S92.9Very high93Very high61 Ų6137 Ų3743%0.42719%0.189SC..G310 helixtrans-65.9-21.9176.681.50000112.7D41 I45 K56D41-S43 PolarHBondContact O-N 2.71Å; D41-S43 VanDerWaalsContact OD1-CB 3.27Å; D41-S43 WeakPolarHBondContact OD1-CB 3.29Å; D41-S43 PolarHBondContact OD1-N 3.37Å; D41-S43 PolarHBondContact OD1-OG 2.85Å; S43-I45 VanDerWaalsContact C-N 3.33Å; S43-K56 WeakPolarHBondContact O-CE 3.2Å
44Q93.9Very high92.4Very high46 Ų4642.9 Ų42.922%0.21522%0.221CC..G310 helixtrans-82.2-7.9178.1-61.3-175.540.500113.6L38 D41 P42 P46L38-Q44 HydrophobicContact CD2-CB 3.79Å; D41-Q44 HydrophobicContact CB-CG 4.31Å; D41-Q44 PolarHBondContact O-N 2.95Å; D41-Q44 VanDerWaalsContact O-N 3.13Å; D41-Q44 WeakPolarHBondContact OD2-CG 3.44Å; D41-Q44 PolarHBondContact OD2-NE2 2.88Å; P42-Q44 PolarHBondContact O-N 2.64Å; Q44-P46 WeakPolarHBondContact O-CD 3.38Å
45I95Very high91.8Very high1 Ų142.9 Ų42.91%0.00522%0.221CC..SBendtrans-68.3125.4176.5-57.7169.4000108.8L38 P42 S43 A49 L50 V55 K56 P235 I238L38-I45 HydrophobicContact CB-CG1 4.25Å; L38-I45 HydrophobicContact CD1-CG1 4.46Å; L38-I45 HydrophobicContact CD2-CG1 3.74Å; L38-I45 HydrophobicContact CG-CG1 4.38Å; P42-I45 HydrophobicContact CB-CD1 4.05Å; P42-I45 WeakPolarHBondContact O-CB 3.32Å; P42-I45 WeakPolarHBondContact O-CG1 3.39Å; P42-I45 PolarHBondContact O-N 2.73Å; S43-I45 VanDerWaalsContact C-N 3.33Å; I45-A49 HydrophobicContact CG2-CB 4.14Å; I45-L50 HydrophobicContact CB-CD2 4.11Å; I45-L50 HydrophobicContact CG2-CD2 3.67Å; I45-L50 HydrophobicContact CG2-CG 4.15Å; I45-V55 HydrophobicContact CD1-CG2 4.03Å; I45-K56 PolarHBondContact O-NZ 3.34Å; I45-P235 HydrophobicContact CD1-CB 4.13Å; I45-P235 HydrophobicContact CD1-CG 4.44Å; I45-P235 HydrophobicContact CG2-CG 4.35Å; I45-I238 HydrophobicContact CD1-CD1 4.24Å
46P93.3Very high91Very high32 Ų3246.3 Ų46.321%0.20824%0.236CC..  trans-62.1144.5175.4-22.233.3000112Q44 F48 A49 I231Q44-P46 WeakPolarHBondContact O-CD 3.38Å; P46-F48 VanDerWaalsContact C-N 3.26Å; P46-F48 HydrophobicContact CB-CD1 3.63Å; P46-F48 HydrophobicContact CB-CE1 3.29Å; P46-F48 HydrophobicContact CB-CG 4.43Å; P46-F48 HydrophobicContact CB-CZ 3.83Å; P46-F48 HydrophobicContact CG-CE1 4.01Å; P46-F48 HydrophobicContact CG-CZ 4.17Å; P46-F48 PolarHBondContact O-N 2.83Å; P46-A49 HydrophobicContact CB-CB 4.43Å; P46-A49 WeakPolarHBondContact O-CB 3.45Å; P46-A49 PolarHBondContact O-N 2.8Å; P46-I231 HydrophobicContact CG-CG2 4.39Å
47D91.5Very high90.2Very high113 Ų11351.6 Ų51.660%0.60426%0.264SS*.G310 helixtrans-60.8-35.3-174.1-67.5-24.5000112.8A49 L50 K56D47-A49 PolarHBondContact O-N 2.99Å; D47-L50 PolarHBondContact O-N 3.02Å; D47-K56 IonicContact OD1-NZ 3.78Å; D47-K56 PolarHBondContact OD1-NZ 3.42Å; D47-K56 IonicContact OD2-NZ 2.93Å
48F90.6Very high89.5Confident117 Ų11753.6 Ų53.651%0.51328%0.275SS..G310 helixtrans-67-22.8177.171.2-97.8000113.1P46 I231 H263P46-F48 VanDerWaalsContact C-N 3.26Å; P46-F48 HydrophobicContact CB-CD1 3.63Å; P46-F48 HydrophobicContact CB-CE1 3.29Å; P46-F48 HydrophobicContact CB-CG 4.43Å; P46-F48 HydrophobicContact CB-CZ 3.83Å; P46-F48 HydrophobicContact CG-CE1 4.01Å; P46-F48 HydrophobicContact CG-CZ 4.17Å; P46-F48 PolarHBondContact O-N 2.83Å; F48-I231 HydrophobicContact CE2-CD1 3.64Å; F48-I231 HydrophobicContact CZ-CD1 3.76Å; F48-H263 AromaticContact CE2-CE1 3.73Å; F48-H263 AromaticContact CE2-NE2 3.62Å; F48-H263 AromaticContact CZ-CD2 3.76Å; F48-H263 AromaticContact CZ-CE1 3.96Å; F48-H263 AromaticContact CZ-NE2 3.53Å
49A91.7Very high88.5Confident0 Ų056.7 Ų56.70%029%0.294CS..G310 helixtrans-88.9-6.7-178.400000113.2I45 P46 D47 H51 I231I45-A49 HydrophobicContact CG2-CB 4.14Å; P46-A49 HydrophobicContact CB-CB 4.43Å; P46-A49 WeakPolarHBondContact O-CB 3.45Å; P46-A49 PolarHBondContact O-N 2.8Å; D47-A49 PolarHBondContact O-N 2.99Å; A49-H51 PolarHBondContact O-CD2 3.45Å; A49-I231 HydrophobicContact CB-CB 3.96Å; A49-I231 HydrophobicContact CB-CD1 3.95Å; A49-I231 HydrophobicContact CB-CG1 3.86Å; A49-I231 WeakPolarHBondContact CB-O 3.45Å
50L87.2Confident87.9Confident22 Ų2257.1 Ų57.112%0.11530%0.298CS..SBendtrans-74.9-26-177.4-70.2172.1000113.3I45 D47 N52 I53 V55 K56I45-L50 HydrophobicContact CB-CD2 4.11Å; I45-L50 HydrophobicContact CG2-CD2 3.67Å; I45-L50 HydrophobicContact CG2-CG 4.15Å; D47-L50 PolarHBondContact O-N 3.02Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 3.24Å; L50-N52 VanDerWaalsContact O-N 3.17Å; L50-I53 WeakPolarHBondContact O-CA 3.25Å; L50-I53 WeakPolarHBondContact O-CB 3.45Å; L50-I53 WeakPolarHBondContact O-CG1 3.44Å; L50-I53 PolarHBondContact O-N 3.38Å; L50-V55 HydrophobicContact CD2-CG2 3.68Å; L50-K56 HydrophobicContact CD1-CB 4.36Å; L50-K56 HydrophobicContact CD1-CD 4.37Å
51H82.2Confident87.4Confident47 Ų4755.6 Ų55.622%0.21830%0.296CS..THydrogen-bonded Turntrans50.641.9178.2-59.6-61000114.7A49 I53 R167 H232A49-H51 PolarHBondContact O-CD2 3.45Å; H51-I53 PolarHBondContact O-N 3.41Å; H51-R167 PolarHBondContact CE1-O 2.95Å; H51-R167 PolarHBondContact NE2-O 3.43Å; H51-H232 AromaticContact CD2-ND1 3.86Å; H51-H232 AromaticContact NE2-CE1 3.57Å; H51-H232 AromaticContact NE2-ND1 3.16Å; H51-H232 PolarHBondContact NE2-ND1 2.75Å; H51-H232 VanDerWaalsContact NE2-ND1 3.16Å
52N82.1Confident87.3Confident174 Ų17455.7 Ų55.793%0.9330%0.297SS*.THydrogen-bonded Turntrans64.212.6-173.1-54.3-58.9000115.5L50 N54L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 3.24Å; L50-N52 VanDerWaalsContact O-N 3.17Å; N52-N54 PolarHBondContact O-N 2.96Å
53I84.2Confident87.4Confident21 Ų2155.8 Ų55.811%0.10830%0.297CS..  trans-81.6112.5172.4-54.6172.9000108.4L50 H51 V55 P235 Q239L50-I53 WeakPolarHBondContact O-CA 3.25Å; L50-I53 WeakPolarHBondContact O-CB 3.45Å; L50-I53 WeakPolarHBondContact O-CG1 3.44Å; L50-I53 PolarHBondContact O-N 3.38Å; H51-I53 PolarHBondContact O-N 3.41Å; I53-V55 VanDerWaalsContact C-N 3.33Å; I53-V55 HydrophobicContact CG2-CB 4.31Å; I53-V55 HydrophobicContact CG2-CG1 3.46Å; I53-V55 VanDerWaalsContact CG2-CG1 3.46Å; I53-V55 HydrophobicContact CG2-CG2 4.03Å; I53-V55 PolarHBondContact O-N 3.41Å; I53-P235 HydrophobicContact CB-CB 4.49Å; I53-P235 HydrophobicContact CD1-CB 4.13Å; I53-P235 HydrophobicContact CG2-CB 4.41Å; I53-Q239 HydrophobicContact CG2-CB 3.92Å; I53-Q239 HydrophobicContact CG2-CG 4.37Å
54N84.8Confident87.6Confident124 Ų12454 Ų5466%0.66328%0.282SS*.  trans-83.771.3-178.3-172.37.5000112N52N52-N54 PolarHBondContact O-N 2.96Å
55V85.9Confident87.8Confident1 Ų151.9 Ų51.91%0.00627%0.272CS..  trans-109.6-16.2-177.8-70.10000114.7P42 I45 L50 I53 N57 L58 P235 I238P42-V55 WeakPolarHBondContact CB-O 3.24Å; I45-V55 HydrophobicContact CD1-CG2 4.03Å; L50-V55 HydrophobicContact CD2-CG2 3.68Å; I53-V55 VanDerWaalsContact C-N 3.33Å; I53-V55 HydrophobicContact CG2-CB 4.31Å; I53-V55 HydrophobicContact CG2-CG1 3.46Å; I53-V55 VanDerWaalsContact CG2-CG1 3.46Å; I53-V55 HydrophobicContact CG2-CG2 4.03Å; I53-V55 PolarHBondContact O-N 3.41Å; V55-N57 PolarHBondContact O-N 3.01Å; V55-L58 HydrophobicContact CB-CD1 3.78Å; V55-L58 HydrophobicContact CG1-CD1 3.68Å; V55-L58 WeakPolarHBondContact O-CB 3.48Å; V55-L58 VanDerWaalsContact O-CG 3.28Å; V55-L58 WeakPolarHBondContact O-CG 3.37Å; V55-L58 PolarHBondContact O-N 2.89Å; V55-P235 HydrophobicContact CG2-CB 3.89Å; V55-I238 HydrophobicContact CB-CD1 4.3Å; V55-I238 HydrophobicContact CB-CG2 4.12Å; V55-I238 HydrophobicContact CG1-CB 3.96Å; V55-I238 HydrophobicContact CG1-CG2 3.46Å; V55-I238 VanDerWaalsContact CG1-CG2 3.46Å; V55-I238 HydrophobicContact CG2-CD1 4.4Å
56K82.6Confident88Confident73 Ų7351.8 Ų51.832%0.31727%0.272SS..THydrogen-bonded Turntrans-61.7-29.4-174-162.6171.6-178.2150.50114.2S43 I45 D47 L50 L58S43-K56 WeakPolarHBondContact O-CE 3.2Å; I45-K56 PolarHBondContact O-NZ 3.34Å; D47-K56 IonicContact OD1-NZ 3.78Å; D47-K56 PolarHBondContact OD1-NZ 3.42Å; D47-K56 IonicContact OD2-NZ 2.93Å; L50-K56 HydrophobicContact CD1-CB 4.36Å; L50-K56 HydrophobicContact CD1-CD 4.37Å; K56-L58 VanDerWaalsContact C-N 3.29Å
57N81.9Confident88.2Confident111 Ų11150.3 Ų50.359%0.59426%0.262SS*.THydrogen-bonded Turntrans-85.82177.8-67.6-49000113.3R3 V55R3-N57 PolarHBondContact NH1-O 2.95Å; R3-N57 PolarHBondContact NH2-O 3.38Å; V55-N57 PolarHBondContact O-N 3.01Å
58L82.4Confident88.4Confident52 Ų5245.2 Ų45.227%0.27224%0.235SC..SBendtrans-83.7142.7176-57.1172.2000109.5V55 K56 I238V55-L58 HydrophobicContact CB-CD1 3.78Å; V55-L58 HydrophobicContact CG1-CD1 3.68Å; V55-L58 WeakPolarHBondContact O-CB 3.48Å; V55-L58 VanDerWaalsContact O-CG 3.28Å; V55-L58 WeakPolarHBondContact O-CG 3.37Å; V55-L58 PolarHBondContact O-N 2.89Å; K56-L58 VanDerWaalsContact C-N 3.29Å; L58-I238 HydrophobicContact CD1-CG2 3.75Å
59T77.1Confident88.5Confident65 Ų6539.9 Ų39.940%0.39921%0.212SC..PPolyproline II helixtrans-72129158.849.60000107.5C5C5-T59 PolarHBondContact SG-OG1 2.76Å
60G82.3Confident88.5Confident9 Ų940 Ų409%0.09321%0.213CC..PPolyproline II helixtrans-65.1156174.200000111.8Y7 L39 R40Y7-G60 WeakPolarHBondContact CD1-O 3.39Å; Y7-G60 WeakPolarHBondContact CE1-O 3.31Å; L39-G60 WeakPolarHBondContact O-CA 3.27Å; R40-G60 VanDerWaalsContact O-CA 3.29Å; R40-G60 WeakPolarHBondContact O-CA 3.43Å
61D85.8Confident88.2Confident42 Ų4239.1 Ų39.123%0.22521%0.209CC..PPolyproline II helixtrans-80163.9174.5-80.8-57.7000111S8 R10 W63S8-D61 PolarHBondContact N-OD1 2.92Å; S8-D61 VanDerWaalsContact OG-CG 3.29Å; S8-D61 PolarHBondContact OG-OD1 3.29Å; R10-D61 HydrophobicContact CG-CB 4.26Å; R10-D61 IonicContact CZ-OD2 2.89Å; R10-D61 VanDerWaalsContact NE-CG 3.27Å; R10-D61 IonicContact NE-OD1 3.64Å; R10-D61 IonicContact NE-OD2 3.55Å; R10-D61 PolarHBondContact NE-OD2 2.99Å; R10-D61 IonicContact NH2-OD1 2.82Å; R10-D61 IonicContact NH2-OD2 3.33Å; R10-D61 PolarHBondContact NH2-OD2 3.26Å; D61-W63 PolarHBondContact O-N 2.92Å
62D91.1Very high88.1Confident57 Ų5737.4 Ų37.431%0.30520%0.202SC..EExtended strand (participates in β ladder)trans-79.372.4176.7-87.5-35.1000111.1Y7 S8 R10 R40Y7-D62 WeakPolarHBondContact CB-OD2 3.28Å; S8-D62 PolarHBondContact O-N 2.8Å; R10-D62 PolarHBondContact N-O 3.37Å; R40-D62 IonicContact CZ-OD1 2.64Å; R40-D62 IonicContact NH1-OD1 3.79Å; R40-D62 PolarHBondContact NH1-OD1 2.78Å; R40-D62 IonicContact NH2-OD1 3.78Å; R40-D62 PolarHBondContact NH2-OD1 2.87Å; R40-D62 VanDerWaalsContact NH2-OD1 3.08Å
63W96.5Very high88.1Confident3 Ų329.1 Ų29.11%0.01116%0.158CC..EExtended strand (participates in β ladder)trans-70.5130175.2-71.693.3000112R10 L12 V36 L39 R40 D61 I241 L251R10-W63 HydrophobicContact CB-CD2 3.75Å; R10-W63 HydrophobicContact CB-CE3 3.61Å; R10-W63 HydrophobicContact CB-CG 4.4Å; R10-W63 HydrophobicContact CB-CH2 4.15Å; R10-W63 HydrophobicContact CB-CZ2 4.26Å; R10-W63 HydrophobicContact CB-CZ3 3.81Å; R10-W63 VanDerWaalsContact CD-CZ2 3.4Å; R10-W63 HydrophobicContact CG-CZ2 4.49Å; R10-W63 CarbonylContact O-C 3.49Å; R10-W63 WeakPolarHBondContact O-CA 3.17Å; L12-W63 HydrophobicContact CB-CE3 3.81Å; L12-W63 HydrophobicContact CB-CZ3 3.91Å; L12-W63 HydrophobicContact CD1-CZ3 4.28Å; V36-W63 HydrophobicContact CG1-CB 3.96Å; L39-W63 HydrophobicContact CB-CD2 4.33Å; L39-W63 HydrophobicContact CB-CG 3.98Å; L39-W63 HydrophobicContact CD1-CD2 4.03Å; L39-W63 HydrophobicContact CD1-CE3 4.41Å; L39-W63 HydrophobicContact CD1-CG 4.42Å; L39-W63 HydrophobicContact CD1-CH2 4.5Å; L39-W63 HydrophobicContact CD1-CZ2 4.12Å; R40-W63 HydrophobicContact CG-CB 3.84Å; R40-W63 PolarHBondContact NH1-O 3.42Å; D61-W63 PolarHBondContact O-N 2.92Å; W63-I241 HydrophobicContact CH2-CD1 3.5Å; W63-I241 VanDerWaalsContact CH2-CD1 3.5Å; W63-I241 HydrophobicContact CZ2-CD1 3.34Å; W63-L251 HydrophobicContact CH2-CB 4.12Å; W63-L251 HydrophobicContact CH2-CD2 4.04Å; W63-L251 HydrophobicContact CZ3-CB 4.09Å; W63-L251 HydrophobicContact CZ3-CD2 4.46Å
64I97.9Very high87.7Confident25 Ų2530 Ų3013%0.12817%0.165CC..EExtended strand (participates in β ladder)trans-115.8128.2171-56.5174.7000107.5K9 R10 Y11 L12 P113 M115K9-I64 HydrophobicContact CD-CD1 4.31Å; K9-I64 HydrophobicContact CG-CD1 4.1Å; R10-I64 PolarHBondContact O-N 3.47Å; Y11-I64 WeakPolarHBondContact CA-O 3.42Å; Y11-I64 HydrophobicContact CD1-CB 3.96Å; Y11-I64 HydrophobicContact CD1-CD1 4.46Å; Y11-I64 HydrophobicContact CD1-CG2 4.27Å; Y11-I64 HydrophobicContact CE1-CB 4.2Å; Y11-I64 HydrophobicContact CE1-CD1 3.89Å; Y11-I64 HydrophobicContact CE1-CG2 4.37Å; L12-I64 PolarHBondContact N-O 2.97Å; I64-P113 WeakPolarHBondContact CA-O 3.48Å; I64-P113 HydrophobicContact CB-CB 4.46Å; I64-P113 HydrophobicContact CG1-CB 4.06Å; I64-P113 HydrophobicContact CG2-CB 4.32Å; I64-M115 HydrophobicContact CG2-CG 4.07Å; I64-M115 HydrophobicContact CG2-SD 4.02Å
65L98.8Very high87.3Confident0 Ų027.1 Ų27.10%015%0.148CC..EExtended strand (participates in β ladder)trans-85.2114.9176.2178.958.5000109.7L12 Y14 Y29 V32 A33 V36 L67 I112 P113 V114 M115L12-L65 HydrophobicContact CD2-CD1 3.59Å; Y14-L65 HydrophobicContact CD1-CD1 3.76Å; Y14-L65 HydrophobicContact CE1-CD1 3.94Å; Y14-L65 HydrophobicContact CE1-CD2 4.46Å; Y14-L65 HydrophobicContact CE1-CG 4.46Å; Y29-L65 HydrophobicContact CD2-CD2 3.99Å; Y29-L65 HydrophobicContact CE2-CD2 3.64Å; V32-L65 HydrophobicContact CG1-CD1 3.63Å; V32-L65 HydrophobicContact CG1-CD2 4.22Å; A33-L65 HydrophobicContact CB-CD2 4.39Å; V36-L65 HydrophobicContact CG2-CB 4.32Å; V36-L65 HydrophobicContact CG2-CD1 4.3Å; L65-L67 HydrophobicContact CD2-CD2 4.11Å; L65-L67 HydrophobicContact CG-CD2 4.13Å; L65-I112 HydrophobicContact CB-CD1 4.1Å; L65-I112 HydrophobicContact CD2-CD1 3.76Å; L65-P113 PolarHBondContact N-O 2.88Å; L65-V114 HydrophobicContact CB-CG1 4.21Å; L65-V114 HydrophobicContact CD2-CG1 4.38Å; L65-V114 CarbonylContact O-C 3.6Å; L65-V114 VanDerWaalsContact O-CA 3.25Å; L65-V114 WeakPolarHBondContact O-CA 2.99Å; L65-M115 PolarHBondContact O-N 2.94Å
66V98.4Very high86.8Confident0 Ų027.7 Ų27.70%015%0.15CC..EExtended strand (participates in β ladder)trans-89114.4172.9-173.20000108.4Y11 L12 F13 M115 L117 F120Y11-V66 HydrophobicContact CD1-CG2 3.77Å; Y11-V66 HydrophobicContact CG-CG2 4.39Å; L12-V66 PolarHBondContact O-N 2.72Å; F13-V66 HydrophobicContact CD1-CB 3.57Å; F13-V66 HydrophobicContact CD1-CG1 3.7Å; F13-V66 HydrophobicContact CD1-CG2 4.1Å; F13-V66 HydrophobicContact CE1-CB 3.61Å; F13-V66 HydrophobicContact CE1-CG1 3.56Å; F13-V66 HydrophobicContact CE1-CG2 3.69Å; F13-V66 HydrophobicContact CE2-CG2 4.43Å; F13-V66 HydrophobicContact CG-CB 4.22Å; F13-V66 HydrophobicContact CZ-CB 4.24Å; F13-V66 HydrophobicContact CZ-CG2 3.85Å; V66-M115 WeakPolarHBondContact CA-O 3.13Å; V66-M115 HydrophobicContact CG1-CG 4.47Å; V66-M115 HydrophobicContact CG2-CG 4.05Å; V66-M115 HydrophobicContact CG2-SD 4.29Å; V66-L117 HydrophobicContact CG1-CB 4.2Å; V66-L117 HydrophobicContact CG1-CD1 3.8Å; V66-F120 HydrophobicContact CG1-CB 3.88Å; V66-F120 HydrophobicContact CG1-CG 4.34Å; V66-F120 HydrophobicContact CG2-CB 4.18Å; V66-F120 HydrophobicContact CG2-CD2 3.96Å; V66-F120 HydrophobicContact CG2-CG 4.13Å
67L98.1Very high86.1Confident0 Ų025.3 Ų25.30%014%0.139CC..EExtended strand (participates in β ladder)trans-75.3134.5-172.4-60.8171.7000110.9Y29 L65 W99 L105 L108 V114 M115 L117Y29-L67 HydrophobicContact CD2-CD2 3.71Å; Y29-L67 HydrophobicContact CE2-CD2 3.67Å; L65-L67 HydrophobicContact CD2-CD2 4.11Å; L65-L67 HydrophobicContact CG-CD2 4.13Å; L67-W99 HydrophobicContact CB-CB 4.39Å; L67-W99 VanDerWaalsContact CB-CD1 3.49Å; L67-W99 HydrophobicContact CB-CD2 4.32Å; L67-W99 HydrophobicContact CB-CG 3.83Å; L67-W99 HydrophobicContact CD1-CB 3.62Å; L67-W99 HydrophobicContact CD1-CD2 3.91Å; L67-W99 HydrophobicContact CD1-CE3 4.28Å; L67-W99 HydrophobicContact CD1-CG 3.62Å; L67-W99 HydrophobicContact CD2-CD2 4.29Å; L67-W99 HydrophobicContact CG-CD2 4.41Å; L67-W99 HydrophobicContact CG-CG 4.21Å; L67-L105 HydrophobicContact CD1-CD2 3.72Å; L67-L108 HydrophobicContact CD1-CD1 4.29Å; L67-V114 HydrophobicContact CD1-CB 4.05Å; L67-V114 HydrophobicContact CD1-CG2 4.14Å; L67-V114 HydrophobicContact CD2-CB 4.44Å; L67-V114 HydrophobicContact CD2-CG1 4.46Å; L67-V114 HydrophobicContact CG-CB 4.22Å; L67-M115 PolarHBondContact N-O 3.19Å; L67-L117 PolarHBondContact O-N 3.46Å
68P95.4Very high85.2Confident7 Ų723.8 Ų23.85%0.04513%0.131CC..PPolyproline II helixtrans-65.5142176.423.5-30.8000110.3Y14 W99 F202Y14-P68 HydrophobicContact CD1-CG 4.36Å; Y14-P68 HydrophobicContact CD2-CG 4.17Å; Y14-P68 HydrophobicContact CE1-CG 3.91Å; Y14-P68 HydrophobicContact CE2-CG 3.69Å; Y14-P68 WeakPolarHBondContact O-CB 3.31Å; P68-W99 PolarHBondContact O-NE1 3.37Å; P68-F202 HydrophobicContact CB-CD1 4.21Å; P68-F202 HydrophobicContact CB-CE1 3.99Å
69P92.7Very high84.2Confident4 Ų422.6 Ų22.63%0.02613%0.125CC..PPolyproline II helixtrans-61.5151.217025.9-31.9000111I97 L117 N205 F207 I213P69-I97 CarbonylContact C-O 3.54Å; P69-I97 WeakPolarHBondContact CA-O 3.45Å; P69-L117 HydrophobicContact CG-CD2 4Å; P69-N205 WeakPolarHBondContact CG-OD1 3.1Å; P69-F207 HydrophobicContact CG-CE1 4.18Å; P69-I213 HydrophobicContact CB-CD1 4.05Å; P69-I213 HydrophobicContact CG-CD1 4.37Å
70W90.7Very high83.5Confident2 Ų223.6 Ų23.61%0.00812%0.121CC..BIsolated β-bridgetrans-85.5142170.2-55.191.8000111.1F22 R25 R26 L73 W76 G96 I97 W99 F102 F103F22-W70 HydrophobicContact CD2-CD2 4.05Å; F22-W70 AromaticContact CD2-CE3 3.36Å; F22-W70 HydrophobicContact CD2-CE3 3.36Å; F22-W70 AromaticContact CD2-CH2 3.94Å; F22-W70 HydrophobicContact CD2-CH2 3.94Å; F22-W70 AromaticContact CD2-CZ3 3.26Å; F22-W70 HydrophobicContact CD2-CZ3 3.26Å; F22-W70 AromaticContact CE2-CD2 3.71Å; F22-W70 HydrophobicContact CE2-CD2 3.71Å; F22-W70 AromaticContact CE2-CE2 3.95Å; F22-W70 AromaticContact CE2-CE3 3.51Å; F22-W70 HydrophobicContact CE2-CE3 3.51Å; F22-W70 HydrophobicContact CE2-CG 4.44Å; F22-W70 AromaticContact CE2-CH2 3.8Å; F22-W70 HydrophobicContact CE2-CH2 3.8Å; F22-W70 HydrophobicContact CE2-CZ2 4.01Å; F22-W70 AromaticContact CE2-CZ3 3.52Å; F22-W70 HydrophobicContact CE2-CZ3 3.52Å; F22-W70 HydrophobicContact CG-CZ3 4.2Å; R25-W70 HydrophobicContact CB-CE3 4.43Å; R25-W70 HydrophobicContact CB-CH2 3.9Å; R25-W70 HydrophobicContact CB-CZ3 3.47Å; R25-W70 VanDerWaalsContact CB-CZ3 3.47Å; R25-W70 HydrophobicContact CG-CZ3 4.29Å; R26-W70 HydrophobicContact CG-CH2 3.98Å; W70-L73 HydrophobicContact CE3-CD1 4.41Å; W70-W76 HydrophobicContact CB-CH2 4.04Å; W70-G96 PolarHBondContact O-N 2.84Å; W70-G96 VanDerWaalsContact O-N 3.16Å; W70-I97 HydrophobicContact CB-CB 4.1Å; W70-I97 PolarHBondContact N-O 3.27Å; W70-I97 PolarHBondContact O-N 3.01Å; W70-W99 AromaticContact CD1-CD1 3.87Å; W70-W99 AromaticContact CE2-CD1 3.86Å; W70-W99 AromaticContact CE2-CD2 3.99Å; W70-W99 AromaticContact CE2-CE2 3.67Å; W70-W99 AromaticContact CE2-NE1 3.57Å; W70-W99 HydrophobicContact CH2-CH2 4.2Å; W70-W99 AromaticContact CH2-CZ2 3.85Å; W70-W99 HydrophobicContact CH2-CZ2 3.85Å; W70-W99 AromaticContact CZ2-CD2 3.73Å; W70-W99 HydrophobicContact CZ2-CD2 3.73Å; W70-W99 AromaticContact CZ2-CE2 3.3Å; W70-W99 HydrophobicContact CZ2-CE3 4.14Å; W70-W99 HydrophobicContact CZ2-CG 4.35Å; W70-W99 AromaticContact CZ2-CH2 3.75Å; W70-W99 HydrophobicContact CZ2-CH2 3.75Å; W70-W99 AromaticContact CZ2-CZ2 3.32Å; W70-W99 HydrophobicContact CZ2-CZ2 3.32Å; W70-W99 HydrophobicContact CZ2-CZ3 4.14Å; W70-W99 AromaticContact CZ2-NE1 3.7Å; W70-W99 AromaticContact NE1-CD1 3.16Å; W70-W99 AromaticContact NE1-CD2 3.72Å; W70-W99 AromaticContact NE1-CE2 3.74Å; W70-W99 AromaticContact NE1-CG 3.38Å; W70-W99 AromaticContact NE1-NE1 3.39Å; W70-F102 HydrophobicContact CB-CE2 4.04Å; W70-F102 AromaticContact CD1-CD2 3.57Å; W70-F102 AromaticContact CD1-CE2 3.72Å; W70-F102 HydrophobicContact CD2-CD2 4.28Å; W70-F102 HydrophobicContact CD2-CE2 4.39Å; W70-F102 AromaticContact CG-CD2 3.96Å; W70-F102 HydrophobicContact CG-CD2 3.96Å; W70-F102 AromaticContact CG-CE2 3.78Å; W70-F102 HydrophobicContact CG-CE2 3.78Å; W70-F102 AromaticContact NE1-CD2 3.7Å; W70-F103 HydrophobicContact CH2-CE2 4.4Å; W70-F103 HydrophobicContact CZ2-CD2 4.37Å; W70-F103 AromaticContact CZ2-CE2 3.69Å; W70-F103 HydrophobicContact CZ2-CE2 3.69Å
71G80.7Confident82.2Confident4 Ų423.7 Ų23.74%0.04112%0.121CC..  trans75.3166.9162.900000115.5W94 S95 N205G71-W94 CarbonylContact C-O 3.26Å; G71-W94 VanDerWaalsContact CA-O 3.28Å; G71-W94 WeakPolarHBondContact CA-O 3.33Å; G71-S95 WeakPolarHBondContact O-CA 3.41Å; G71-N205 PolarHBondContact O-OD1 3.49Å
72P80.4Confident80.9Confident11 Ų1122.2 Ų22.27%0.07111%0.112CC..  cis-77.4130.16.233.2-28.7000110.8F77 F91 W94 S95 G204P72-F77 HydrophobicContact CB-CE2 3.98Å; P72-F77 HydrophobicContact CB-CZ 4.36Å; P72-F91 HydrophobicContact CB-CD1 3.84Å; P72-F91 HydrophobicContact CB-CD2 4.04Å; P72-F91 HydrophobicContact CB-CE1 3.47Å; P72-F91 VanDerWaalsContact CB-CE1 3.47Å; P72-F91 HydrophobicContact CB-CE2 3.66Å; P72-F91 HydrophobicContact CB-CG 4.12Å; P72-F91 HydrophobicContact CB-CZ 3.36Å; P72-F91 HydrophobicContact CG-CD1 3.74Å; P72-F91 HydrophobicContact CG-CE1 3.06Å; P72-F91 HydrophobicContact CG-CE2 4.12Å; P72-F91 HydrophobicContact CG-CZ 3.28Å; P72-W94 WeakPolarHBondContact CA-O 3.35Å; P72-S95 VanDerWaalsContact CD-CB 3.44Å; P72-G204 WeakPolarHBondContact CD-O 3.26Å
73L81.7Confident79.5Confident0 Ų025.1 Ų25.10%012%0.124CC..  trans-94.9126.4-178.5-59-172.9000109.5F22 R25 W70 H75 W76 F77F22-L73 HydrophobicContact CB-CD1 3.82Å; F22-L73 HydrophobicContact CD2-CD1 4.09Å; F22-L73 HydrophobicContact CG-CD1 4.46Å; R25-L73 VanDerWaalsContact CZ-CD2 3.44Å; R25-L73 VanDerWaalsContact NE-CD2 3.25Å; W70-L73 HydrophobicContact CE3-CD1 4.41Å; L73-H75 PolarHBondContact O-N 2.93Å; L73-H75 VanDerWaalsContact O-N 3.13Å; L73-W76 HydrophobicContact CB-CD2 3.78Å; L73-W76 HydrophobicContact CB-CE3 4.02Å; L73-W76 HydrophobicContact CB-CG 3.99Å; L73-W76 HydrophobicContact CD1-CD2 4.07Å; L73-W76 HydrophobicContact CD1-CH2 4.14Å; L73-W76 HydrophobicContact CD1-CZ2 3.66Å; L73-W76 HydrophobicContact CG-CD2 4.03Å; L73-W76 HydrophobicContact CG-CE3 4.09Å; L73-W76 HydrophobicContact CG-CH2 4.26Å; L73-W76 HydrophobicContact CG-CZ2 4.2Å; L73-W76 HydrophobicContact CG-CZ3 4.2Å; L73-W76 WeakPolarHBondContact O-CB 3.33Å; L73-W76 PolarHBondContact O-N 2.93Å; L73-F77 VanDerWaalsContact O-CD2 3.24Å; L73-F77 WeakPolarHBondContact O-CD2 3.2Å
74P76.8Confident77.7Confident40 Ų4033.9 Ų33.926%0.2616%0.157SC..Hα-helixtrans-51.7-40.6-179.8-29.335.7000113.6Y18 W76 F77 N78Y18-P74 HydrophobicContact CD2-CG 4.08Å; Y18-P74 HydrophobicContact CE2-CG 4.3Å; Y18-P74 WeakPolarHBondContact O-CD 3.3Å; P74-W76 VanDerWaalsContact C-N 3.25Å; P74-W76 PolarHBondContact O-N 3.41Å; P74-F77 PolarHBondContact O-N 3.36Å; P74-F77 VanDerWaalsContact O-N 3.16Å; P74-N78 PolarHBondContact O-N 2.73Å
75H75.7Confident76Confident64 Ų6434.2 Ų34.230%0.29616%0.157SC..Hα-helixtrans-63.8-24-179.6-62.6-68000114.6G19 G21 L73 F77 D79 D344G19-H75 PolarHBondContact O-NE2 2.96Å; G19-H75 VanDerWaalsContact O-NE2 3.12Å; G21-H75 VanDerWaalsContact CA-CD2 3.46Å; G21-H75 WeakPolarHBondContact CA-CD2 3.28Å; L73-H75 PolarHBondContact O-N 2.93Å; L73-H75 VanDerWaalsContact O-N 3.13Å; H75-F77 VanDerWaalsContact C-N 3.26Å; H75-F77 PolarHBondContact O-N 3.46Å; H75-D79 PolarHBondContact O-N 2.97Å; H75-D344 IonicContact CE1-OD2 2.73Å; H75-D344 PolarHBondContact CE1-OD2 3.39Å; H75-D344 IonicContact CG-OD2 3.77Å; H75-D344 IonicContact ND1-OD2 2.78Å; H75-D344 PolarHBondContact ND1-OD2 2.68Å
76W75.6Confident74Confident13 Ų1335 Ų355%0.04916%0.162CC..Hα-helixtrans-71.6-22.1177.4-72.8-16.4000113.2F22 W70 L73 P74 W94 I97 F102 P431F22-W76 AromaticContact CD2-CZ2 3.69Å; F22-W76 HydrophobicContact CD2-CZ2 3.69Å; F22-W76 HydrophobicContact CE2-CZ2 4.1Å; F22-W76 HydrophobicContact CG-CZ2 4.31Å; W70-W76 HydrophobicContact CB-CH2 4.04Å; L73-W76 HydrophobicContact CB-CD2 3.78Å; L73-W76 HydrophobicContact CB-CE3 4.02Å; L73-W76 HydrophobicContact CB-CG 3.99Å; L73-W76 HydrophobicContact CD1-CD2 4.07Å; L73-W76 HydrophobicContact CD1-CH2 4.14Å; L73-W76 HydrophobicContact CD1-CZ2 3.66Å; L73-W76 HydrophobicContact CG-CD2 4.03Å; L73-W76 HydrophobicContact CG-CE3 4.09Å; L73-W76 HydrophobicContact CG-CH2 4.26Å; L73-W76 HydrophobicContact CG-CZ2 4.2Å; L73-W76 HydrophobicContact CG-CZ3 4.2Å; L73-W76 WeakPolarHBondContact O-CB 3.33Å; L73-W76 PolarHBondContact O-N 2.93Å; P74-W76 VanDerWaalsContact C-N 3.25Å; P74-W76 PolarHBondContact O-N 3.41Å; W76-W94 HydrophobicContact CE3-CB 4.21Å; W76-W94 HydrophobicContact CZ3-CB 4.2Å; W76-I97 HydrophobicContact CH2-CD1 3.97Å; W76-I97 HydrophobicContact CZ3-CD1 3.81Å; W76-F102 HydrophobicContact CH2-CE2 4.23Å; W76-F102 HydrophobicContact CH2-CZ 4.22Å; W76-F102 HydrophobicContact CZ2-CZ 4.48Å; W76-P431 HydrophobicContact CB-CB 3.78Å; W76-P431 HydrophobicContact CB-CG 3.62Å; W76-P431 HydrophobicContact CD2-CB 4.02Å; W76-P431 HydrophobicContact CD2-CG 3.49Å; W76-P431 VanDerWaalsContact CD2-CG 3.49Å; W76-P431 HydrophobicContact CE3-CG 3.66Å; W76-P431 HydrophobicContact CG-CB 3.63Å; W76-P431 HydrophobicContact CG-CG 3.51Å; W76-P431 HydrophobicContact CZ3-CG 4.42Å
77F68.1Low72Confident22 Ų2239.7 Ų39.710%0.09619%0.186CC..Hα-helixtrans-101.9-17.1-178.7-56.8-83.3000112.6P72 L73 P74 H75 F91 W94P72-F77 HydrophobicContact CB-CE2 3.98Å; P72-F77 HydrophobicContact CB-CZ 4.36Å; L73-F77 VanDerWaalsContact O-CD2 3.24Å; L73-F77 WeakPolarHBondContact O-CD2 3.2Å; P74-F77 PolarHBondContact O-N 3.36Å; P74-F77 VanDerWaalsContact O-N 3.16Å; H75-F77 VanDerWaalsContact C-N 3.26Å; H75-F77 PolarHBondContact O-N 3.46Å; F77-F91 AromaticContact CD1-CD2 3.99Å; F77-F91 HydrophobicContact CD1-CD2 3.99Å; F77-F91 AromaticContact CD2-CD2 3.33Å; F77-F91 HydrophobicContact CD2-CD2 3.33Å; F77-F91 AromaticContact CD2-CE2 3.41Å; F77-F91 HydrophobicContact CD2-CE2 3.41Å; F77-F91 VanDerWaalsContact CD2-CE2 3.41Å; F77-F91 HydrophobicContact CE1-CB 4.14Å; F77-F91 AromaticContact CE1-CD2 3.81Å; F77-F91 HydrophobicContact CE1-CD2 3.81Å; F77-F91 HydrophobicContact CE1-CG 4.37Å; F77-F91 AromaticContact CE2-CD2 3.11Å; F77-F91 HydrophobicContact CE2-CD2 3.11Å; F77-F91 AromaticContact CE2-CE2 3.32Å; F77-F91 HydrophobicContact CE2-CE2 3.32Å; F77-F91 HydrophobicContact CE2-CG 4.1Å; F77-F91 HydrophobicContact CE2-CZ 4.43Å; F77-F91 AromaticContact CG-CD2 3.77Å; F77-F91 HydrophobicContact CG-CD2 3.77Å; F77-F91 HydrophobicContact CG-CE2 4.21Å; F77-F91 HydrophobicContact CZ-CB 4.13Å; F77-F91 AromaticContact CZ-CD2 3.36Å; F77-F91 HydrophobicContact CZ-CD2 3.36Å; F77-F91 HydrophobicContact CZ-CE2 4.04Å; F77-F91 AromaticContact CZ-CG 3.97Å; F77-F91 HydrophobicContact CZ-CG 3.97Å; F77-W94 HydrophobicContact CZ-CB 4.14Å; F77-W94 AromaticContact CZ-CD1 3.99Å; F77-W94 HydrophobicContact CZ-CG 4.45Å
78N64Low70.1Confident79 Ų7946.7 Ų46.742%0.42222%0.219SC..SBendtrans-78.9-9.1165.2-68.9-21.6000112.5P74 R80 D344P74-N78 PolarHBondContact O-N 2.73Å; N78-R80 PolarHBondContact O-N 2.9Å; N78-D344 HydrophobicContact CB-CB 4.3Å; N78-D344 PolarHBondContact ND2-OD2 3.16Å
79D60.6Low68.3Low27 Ų2749.8 Ų49.814%0.14424%0.241CC..  trans-68.3109.1171.4-169.1-16.3000109.5H75 S81 Y82H75-D79 PolarHBondContact O-N 2.97Å; D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 VanDerWaalsContact CG-OG 3.3Å; D79-S81 WeakPolarHBondContact OD1-CB 3.46Å; D79-S81 PolarHBondContact OD1-N 2.95Å; D79-S81 PolarHBondContact OD1-OG 2.95Å; D79-S81 PolarHBondContact OD2-OG 3.18Å; D79-Y82 WeakPolarHBondContact OD2-CE2 3.2Å
80R61.3Low66.9Low87 Ų8755.5 Ų55.533%0.32826%0.263SS..SBendtrans-86.5-4.5-176.5-60.6-163.2-70.3-91.3-0.6113N78 Y82 E83 G343 D400N78-R80 PolarHBondContact O-N 2.9Å; R80-Y82 VanDerWaalsContact C-N 3.26Å; R80-Y82 PolarHBondContact O-N 2.85Å; R80-E83 WeakPolarHBondContact O-CG 3.35Å; R80-G343 PolarHBondContact NH1-O 2.98Å; R80-D400 HydrophobicContact CB-CB 3.71Å; R80-D400 IonicContact NE-OD2 3.4Å; R80-D400 PolarHBondContact NE-OD2 2.81Å; R80-D400 IonicContact NH2-OD2 3.46Å
81S56.1Low65.8Low11 Ų1158.6 Ų58.68%0.07728%0.276CS..THydrogen-bonded Turntrans-67-32.7176.564.90000111.4D79 A399D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 VanDerWaalsContact CG-OG 3.3Å; D79-S81 WeakPolarHBondContact OD1-CB 3.46Å; D79-S81 PolarHBondContact OD1-N 2.95Å; D79-S81 PolarHBondContact OD1-OG 2.95Å; D79-S81 PolarHBondContact OD2-OG 3.18Å; S81-A399 PolarHBondContact N-O 3.09Å
82Y59.4Low65.1Low11 Ų1162.3 Ų62.34%0.04330%0.295CS..THydrogen-bonded Turntrans-106.330.3-174.8-51.9-64.3000114.7D79 R80 R84 Y85 T86 P421 W426 S434D79-Y82 WeakPolarHBondContact OD2-CE2 3.2Å; R80-Y82 VanDerWaalsContact C-N 3.26Å; R80-Y82 PolarHBondContact O-N 2.85Å; Y82-R84 PolarHBondContact O-N 3.25Å; Y82-Y85 PolarHBondContact O-N 3.17Å; Y82-T86 WeakPolarHBondContact O-CG2 3.19Å; Y82-T86 PolarHBondContact O-N 3.37Å; Y82-T86 PolarHBondContact O-OG1 2.8Å; Y82-T86 VanDerWaalsContact O-OG1 3.13Å; Y82-P421 HydrophobicContact CD1-CG 4.13Å; Y82-P421 HydrophobicContact CE1-CG 3.65Å; Y82-W426 AromaticContact CD1-CE3 3.99Å; Y82-W426 HydrophobicContact CD1-CE3 3.99Å; Y82-W426 HydrophobicContact CD1-CH2 4.31Å; Y82-W426 AromaticContact CD1-CZ3 3.6Å; Y82-W426 HydrophobicContact CD1-CZ3 3.6Å; Y82-W426 HydrophobicContact CD2-CE3 4.37Å; Y82-W426 AromaticContact CD2-CH2 3.41Å; Y82-W426 HydrophobicContact CD2-CH2 3.41Å; Y82-W426 VanDerWaalsContact CD2-CH2 3.41Å; Y82-W426 AromaticContact CD2-CZ3 3.24Å; Y82-W426 HydrophobicContact CD2-CZ3 3.24Å; Y82-W426 HydrophobicContact CE1-CE3 4.38Å; Y82-W426 AromaticContact CE1-CZ3 3.99Å; Y82-W426 HydrophobicContact CE1-CZ3 3.99Å; Y82-W426 HydrophobicContact CE2-CH2 4.17Å; Y82-W426 AromaticContact CE2-CZ3 3.64Å; Y82-W426 HydrophobicContact CE2-CZ3 3.64Å; Y82-W426 AromaticContact CG-CE3 3.99Å; Y82-W426 HydrophobicContact CG-CE3 3.99Å; Y82-W426 AromaticContact CG-CH2 3.48Å; Y82-W426 HydrophobicContact CG-CH2 3.48Å; Y82-W426 VanDerWaalsContact CG-CH2 3.48Å; Y82-W426 HydrophobicContact CG-CZ2 4.49Å; Y82-W426 AromaticContact CG-CZ3 3.2Å; Y82-W426 HydrophobicContact CG-CZ3 3.2Å; Y82-W426 AromaticContact CZ-CZ3 4Å; Y82-S434 WeakPolarHBondContact OH-CB 3.32Å
83E60.4Low64.9Low117 Ų11766.1 Ų66.155%0.54732%0.315SS..THydrogen-bonded Turntrans-46.9-29179.5-81.3176.8-171.900114.4R80 Y85 T86R80-E83 WeakPolarHBondContact O-CG 3.35Å; E83-Y85 VanDerWaalsContact C-N 3.31Å; E83-Y85 PolarHBondContact O-N 3.44Å; E83-T86 WeakPolarHBondContact CA-OG1 3.24Å
84R59.9Low64.8Low188 Ų18867.5 Ų67.571%0.70932%0.32SS*.THydrogen-bonded Turntrans-64.6-32.8177.1-171.8-178.6-73.7-178.9-1.1112.9Y82Y82-R84 PolarHBondContact O-N 3.25Å
85Y61Low65.1Low32 Ų3265.9 Ų65.913%0.12531%0.31CS..THydrogen-bonded Turntrans-110.4-19.1-174.3-46.6-57.4000113.2Y82 E83 N87 P421 E423 W426Y82-Y85 PolarHBondContact O-N 3.17Å; E83-Y85 VanDerWaalsContact C-N 3.31Å; E83-Y85 PolarHBondContact O-N 3.44Å; Y85-N87 PolarHBondContact O-N 3.22Å; Y85-N87 VanDerWaalsContact O-N 3.17Å; Y85-P421 PolarHBondContact OH-O 3.34Å; Y85-E423 HydrophobicContact CD1-CB 4.49Å; Y85-E423 HydrophobicContact CD1-CG 4.19Å; Y85-E423 HydrophobicContact CE1-CB 3.6Å; Y85-E423 HydrophobicContact CE1-CG 3.74Å; Y85-E423 PolarHBondContact OH-N 2.79Å; Y85-E423 VanDerWaalsContact OH-N 3.08Å; Y85-W426 VanDerWaalsContact CB-CD1 3.48Å; Y85-W426 VanDerWaalsContact CB-NE1 3.25Å; Y85-W426 HydrophobicContact CD2-CB 3.96Å; Y85-W426 AromaticContact CD2-CD2 3.72Å; Y85-W426 HydrophobicContact CD2-CD2 3.72Å; Y85-W426 HydrophobicContact CD2-CE3 4.14Å; Y85-W426 AromaticContact CD2-CG 3.63Å; Y85-W426 HydrophobicContact CD2-CG 3.63Å; Y85-W426 HydrophobicContact CE2-CB 4.08Å; Y85-W426 HydrophobicContact CE2-CG 4.26Å; Y85-W426 HydrophobicContact CG-CB 4.31Å; Y85-W426 AromaticContact CG-CD1 3.74Å; Y85-W426 HydrophobicContact CG-CD2 4.12Å; Y85-W426 AromaticContact CG-CG 3.79Å; Y85-W426 HydrophobicContact CG-CG 3.79Å
86T56Low65.6Low17 Ų1763.2 Ų63.210%0.10430%0.299CS..  trans-84.327.8-177.956.50000113.8Y82 E83 H88 W426Y82-T86 WeakPolarHBondContact O-CG2 3.19Å; Y82-T86 PolarHBondContact O-N 3.37Å; Y82-T86 PolarHBondContact O-OG1 2.8Å; Y82-T86 VanDerWaalsContact O-OG1 3.13Å; E83-T86 WeakPolarHBondContact CA-OG1 3.24Å; T86-H88 PolarHBondContact O-N 3.49Å; T86-H88 VanDerWaalsContact O-N 3.16Å; T86-W426 HydrophobicContact CG2-CH2 4.3Å; T86-W426 HydrophobicContact CG2-CZ2 4.05Å
87N58.3Low66.4Low97 Ų9763.3 Ų63.352%0.51930%0.301SS..  trans-56.1127.5167.5-171.9-12.1000108.4Y85 S89 Y90Y85-N87 PolarHBondContact O-N 3.22Å; Y85-N87 VanDerWaalsContact O-N 3.17Å; N87-S89 PolarHBondContact ND2-OG 2.93Å; N87-S89 PolarHBondContact O-N 3.3Å; N87-S89 PolarHBondContact OD1-N 3.16Å; N87-S89 PolarHBondContact OD1-OG 2.83Å; N87-Y90 HydrophobicContact CB-CD2 4.08Å; N87-Y90 HydrophobicContact CB-CE2 4.31Å; N87-Y90 PolarHBondContact O-N 2.94Å
88H57.3Low67.6Low148 Ų14864.1 Ų64.169%0.68531%0.308SS*.G310 helixtrans-54.7-21.1-177.2-77.655.4000112.5T86 Y90 F91T86-H88 PolarHBondContact O-N 3.49Å; T86-H88 VanDerWaalsContact O-N 3.16Å; H88-Y90 PolarHBondContact O-N 3.44Å; H88-F91 VanDerWaalsContact O-CB 3.25Å; H88-F91 WeakPolarHBondContact O-CB 3.39Å; H88-F91 PolarHBondContact O-N 3.12Å; H88-F91 VanDerWaalsContact O-N 3.16Å
89S57.7Low69.2Low72 Ų7260.5 Ų60.550%0.50329%0.289SS..G310 helixtrans-57-27.417258.80000114.3N87N87-S89 PolarHBondContact ND2-OG 2.93Å; N87-S89 PolarHBondContact O-N 3.3Å; N87-S89 PolarHBondContact OD1-N 3.16Å; N87-S89 PolarHBondContact OD1-OG 2.83Å
90Y64.1Low70.9Confident123 Ų12361.9 Ų61.948%0.48230%0.301SS..G310 helixtrans-97.37.2-179.4-58.8-62.9000113.6N87 H88 N92 N93N87-Y90 HydrophobicContact CB-CD2 4.08Å; N87-Y90 HydrophobicContact CB-CE2 4.31Å; N87-Y90 PolarHBondContact O-N 2.94Å; H88-Y90 PolarHBondContact O-N 3.44Å; Y90-N92 VanDerWaalsContact C-N 3.26Å; Y90-N92 PolarHBondContact O-N 3.29Å; Y90-N93 WeakPolarHBondContact CD1-ND2 3.29Å; Y90-N93 VanDerWaalsContact O-CB 3.31Å; Y90-N93 WeakPolarHBondContact O-CB 3.41Å; Y90-N93 PolarHBondContact O-N 2.91Å
91F65.8Low72.6Confident67 Ų6760.6 Ų60.629%0.29430%0.299SS..G310 helixtrans-52.4-45.1-179.5-179.4-97.5000112.6P72 F77 H88 N93 W94P72-F91 HydrophobicContact CB-CD1 3.84Å; P72-F91 HydrophobicContact CB-CD2 4.04Å; P72-F91 HydrophobicContact CB-CE1 3.47Å; P72-F91 VanDerWaalsContact CB-CE1 3.47Å; P72-F91 HydrophobicContact CB-CE2 3.66Å; P72-F91 HydrophobicContact CB-CG 4.12Å; P72-F91 HydrophobicContact CB-CZ 3.36Å; P72-F91 HydrophobicContact CG-CD1 3.74Å; P72-F91 HydrophobicContact CG-CE1 3.06Å; P72-F91 HydrophobicContact CG-CE2 4.12Å; P72-F91 HydrophobicContact CG-CZ 3.28Å; F77-F91 AromaticContact CD1-CD2 3.99Å; F77-F91 HydrophobicContact CD1-CD2 3.99Å; F77-F91 AromaticContact CD2-CD2 3.33Å; F77-F91 HydrophobicContact CD2-CD2 3.33Å; F77-F91 AromaticContact CD2-CE2 3.41Å; F77-F91 HydrophobicContact CD2-CE2 3.41Å; F77-F91 VanDerWaalsContact CD2-CE2 3.41Å; F77-F91 HydrophobicContact CE1-CB 4.14Å; F77-F91 AromaticContact CE1-CD2 3.81Å; F77-F91 HydrophobicContact CE1-CD2 3.81Å; F77-F91 HydrophobicContact CE1-CG 4.37Å; F77-F91 AromaticContact CE2-CD2 3.11Å; F77-F91 HydrophobicContact CE2-CD2 3.11Å; F77-F91 AromaticContact CE2-CE2 3.32Å; F77-F91 HydrophobicContact CE2-CE2 3.32Å; F77-F91 HydrophobicContact CE2-CG 4.1Å; F77-F91 HydrophobicContact CE2-CZ 4.43Å; F77-F91 AromaticContact CG-CD2 3.77Å; F77-F91 HydrophobicContact CG-CD2 3.77Å; F77-F91 HydrophobicContact CG-CE2 4.21Å; F77-F91 HydrophobicContact CZ-CB 4.13Å; F77-F91 AromaticContact CZ-CD2 3.36Å; F77-F91 HydrophobicContact CZ-CD2 3.36Å; F77-F91 HydrophobicContact CZ-CE2 4.04Å; F77-F91 AromaticContact CZ-CG 3.97Å; F77-F91 HydrophobicContact CZ-CG 3.97Å; H88-F91 VanDerWaalsContact O-CB 3.25Å; H88-F91 WeakPolarHBondContact O-CB 3.39Å; H88-F91 PolarHBondContact O-N 3.12Å; H88-F91 VanDerWaalsContact O-N 3.16Å; F91-N93 PolarHBondContact O-N 3.44Å; F91-W94 PolarHBondContact O-N 3.06Å
92N67.2Low74.6Confident83 Ų8360 Ų6044%0.44430%0.295SS..G310 helixtrans-69.3-18.5-179.2-63.7-33.1000113.5Y90 W94 S95Y90-N92 VanDerWaalsContact C-N 3.26Å; Y90-N92 PolarHBondContact O-N 3.29Å; N92-W94 PolarHBondContact O-N 2.97Å; N92-S95 PolarHBondContact O-OG 3.36Å
93N75.4Confident76.4Confident91 Ų9159.6 Ų59.649%0.48729%0.294SS..G310 helixtrans-70.3-25177.2-67.26.2000111.7Y90 F91 S95Y90-N93 WeakPolarHBondContact CD1-ND2 3.29Å; Y90-N93 VanDerWaalsContact O-CB 3.31Å; Y90-N93 WeakPolarHBondContact O-CB 3.41Å; Y90-N93 PolarHBondContact O-N 2.91Å; F91-N93 PolarHBondContact O-N 3.44Å; N93-S95 VanDerWaalsContact C-N 3.32Å; N93-S95 PolarHBondContact O-N 2.92Å
94W80.3Confident78.2Confident29 Ų2955.5 Ų55.511%0.1128%0.276CS..G310 helixtrans-99.340.6179.4-58113.1000111.9G71 P72 W76 F77 F91 N92 I97 W426 G430G71-W94 CarbonylContact C-O 3.26Å; G71-W94 VanDerWaalsContact CA-O 3.28Å; G71-W94 WeakPolarHBondContact CA-O 3.33Å; P72-W94 WeakPolarHBondContact CA-O 3.35Å; W76-W94 HydrophobicContact CE3-CB 4.21Å; W76-W94 HydrophobicContact CZ3-CB 4.2Å; F77-W94 HydrophobicContact CZ-CB 4.14Å; F77-W94 AromaticContact CZ-CD1 3.99Å; F77-W94 HydrophobicContact CZ-CG 4.45Å; F91-W94 PolarHBondContact O-N 3.06Å; N92-W94 PolarHBondContact O-N 2.97Å; W94-I97 HydrophobicContact CB-CD1 4.31Å; W94-I97 HydrophobicContact CE3-CD1 3.89Å; W94-W426 AromaticContact CE2-NE1 3.98Å; W94-W426 WeakPolarHBondContact CH2-O 3.23Å; W94-W426 AromaticContact CZ2-CD1 3.89Å; W94-W426 AromaticContact CZ2-NE1 3.61Å; W94-W426 WeakPolarHBondContact CZ2-O 3.49Å; W94-W426 AromaticContact NE1-NE1 3.86Å; W94-G430 VanDerWaalsContact CZ3-CA 3.42Å
95S83.4Confident80.1Confident5 Ų547.9 Ų47.94%0.03525%0.249CC..SBendtrans-126.1146.7179720000112.4G71 P72 N92 N93 I97 S206 N211G71-S95 WeakPolarHBondContact O-CA 3.41Å; P72-S95 VanDerWaalsContact CD-CB 3.44Å; N92-S95 PolarHBondContact O-OG 3.36Å; N93-S95 VanDerWaalsContact C-N 3.32Å; N93-S95 PolarHBondContact O-N 2.92Å; S95-I97 VanDerWaalsContact C-N 3.33Å; S95-S206 PolarHBondContact OG-O 2.58Å; S95-N211 PolarHBondContact O-ND2 3.05Å
96G86.3Confident81.8Confident8 Ų850.7 Ų50.78%0.08227%0.266CS..SBendtrans75.221-179.800000113.9W70 I213W70-G96 PolarHBondContact O-N 2.84Å; W70-G96 VanDerWaalsContact O-N 3.16Å; G96-I213 WeakPolarHBondContact O-CD1 3.44Å
97I90.7Very high83.9Confident16 Ų1650 Ų508%0.08226%0.261CS..BIsolated β-bridgetrans-77131.8-173.7-53.9165000109.4P69 W70 W76 W94 S95 M101 F102P69-I97 CarbonylContact C-O 3.54Å; P69-I97 WeakPolarHBondContact CA-O 3.45Å; W70-I97 HydrophobicContact CB-CB 4.1Å; W70-I97 PolarHBondContact N-O 3.27Å; W70-I97 PolarHBondContact O-N 3.01Å; W76-I97 HydrophobicContact CH2-CD1 3.97Å; W76-I97 HydrophobicContact CZ3-CD1 3.81Å; W94-I97 HydrophobicContact CB-CD1 4.31Å; W94-I97 HydrophobicContact CE3-CD1 3.89Å; S95-I97 VanDerWaalsContact C-N 3.33Å; I97-M101 HydrophobicContact CG2-CB 3.71Å; I97-M101 HydrophobicContact CG2-CG 3.88Å; I97-F102 HydrophobicContact CD1-CZ 4.4Å; I97-F102 HydrophobicContact CG2-CE2 3.79Å; I97-F102 HydrophobicContact CG2-CZ 3.93Å
98P94Very high85.8Confident39 Ų3945.3 Ų45.325%0.25324%0.237SC..  trans-70.6156.1177.928.2-34.4000112.9S100 M101 D116P98-S100 VanDerWaalsContact C-N 3.25Å; P98-S100 PolarHBondContact O-N 3.29Å; P98-M101 HydrophobicContact CG-CB 4.47Å; P98-M101 VanDerWaalsContact O-CB 3.31Å; P98-M101 WeakPolarHBondContact O-CB 3.16Å; P98-M101 PolarHBondContact O-N 3.04Å; P98-D116 WeakPolarHBondContact CA-OD1 3.09Å; P98-D116 HydrophobicContact CB-CB 4.18Å; P98-D116 WeakPolarHBondContact CB-OD1 3.04Å; P98-D116 VanDerWaalsContact CB-OD2 3.28Å; P98-D116 WeakPolarHBondContact CB-OD2 3.39Å
99W97.6Very high87.7Confident2 Ų240.6 Ų40.61%0.00822%0.22CC..G310 helixtrans-62.8-32.3171.3-86.864.6000112.8Y29 L67 P68 W70 M101 F102 F103 L105 L108 D116Y29-W99 VanDerWaalsContact CB-CH2 3.47Å; Y29-W99 HydrophobicContact CD1-CH2 4.42Å; Y29-W99 AromaticContact CD2-CH2 3.98Å; Y29-W99 HydrophobicContact CD2-CH2 3.98Å; Y29-W99 HydrophobicContact CD2-CZ2 4.44Å; Y29-W99 HydrophobicContact CD2-CZ3 4.27Å; Y29-W99 AromaticContact CG-CH2 3.69Å; Y29-W99 HydrophobicContact CG-CH2 3.69Å; Y29-W99 HydrophobicContact CG-CZ2 4.45Å; Y29-W99 HydrophobicContact CG-CZ3 4.11Å; L67-W99 HydrophobicContact CB-CB 4.39Å; L67-W99 VanDerWaalsContact CB-CD1 3.49Å; L67-W99 HydrophobicContact CB-CD2 4.32Å; L67-W99 HydrophobicContact CB-CG 3.83Å; L67-W99 HydrophobicContact CD1-CB 3.62Å; L67-W99 HydrophobicContact CD1-CD2 3.91Å; L67-W99 HydrophobicContact CD1-CE3 4.28Å; L67-W99 HydrophobicContact CD1-CG 3.62Å; L67-W99 HydrophobicContact CD2-CD2 4.29Å; L67-W99 HydrophobicContact CG-CD2 4.41Å; L67-W99 HydrophobicContact CG-CG 4.21Å; P68-W99 PolarHBondContact O-NE1 3.37Å; W70-W99 AromaticContact CD1-CD1 3.87Å; W70-W99 AromaticContact CE2-CD1 3.86Å; W70-W99 AromaticContact CE2-CD2 3.99Å; W70-W99 AromaticContact CE2-CE2 3.67Å; W70-W99 AromaticContact CE2-NE1 3.57Å; W70-W99 HydrophobicContact CH2-CH2 4.2Å; W70-W99 AromaticContact CH2-CZ2 3.85Å; W70-W99 HydrophobicContact CH2-CZ2 3.85Å; W70-W99 AromaticContact CZ2-CD2 3.73Å; W70-W99 HydrophobicContact CZ2-CD2 3.73Å; W70-W99 AromaticContact CZ2-CE2 3.3Å; W70-W99 HydrophobicContact CZ2-CE3 4.14Å; W70-W99 HydrophobicContact CZ2-CG 4.35Å; W70-W99 AromaticContact CZ2-CH2 3.75Å; W70-W99 HydrophobicContact CZ2-CH2 3.75Å; W70-W99 AromaticContact CZ2-CZ2 3.32Å; W70-W99 HydrophobicContact CZ2-CZ2 3.32Å; W70-W99 HydrophobicContact CZ2-CZ3 4.14Å; W70-W99 AromaticContact CZ2-NE1 3.7Å; W70-W99 AromaticContact NE1-CD1 3.16Å; W70-W99 AromaticContact NE1-CD2 3.72Å; W70-W99 AromaticContact NE1-CE2 3.74Å; W70-W99 AromaticContact NE1-CG 3.38Å; W70-W99 AromaticContact NE1-NE1 3.39Å; W99-M101 PolarHBondContact O-N 3.17Å; W99-M101 VanDerWaalsContact O-N 3.1Å; W99-F102 PolarHBondContact O-N 3.44Å; W99-F103 HydrophobicContact CD2-CD2 4.17Å; W99-F103 HydrophobicContact CE3-CB 4.38Å; W99-F103 AromaticContact CE3-CD2 3.4Å; W99-F103 HydrophobicContact CE3-CD2 3.4Å; W99-F103 VanDerWaalsContact CE3-CD2 3.4Å; W99-F103 HydrophobicContact CE3-CE2 4.09Å; W99-F103 HydrophobicContact CE3-CG 4.14Å; W99-F103 AromaticContact CZ3-CD2 3.76Å; W99-F103 HydrophobicContact CZ3-CD2 3.76Å; W99-F103 HydrophobicContact CZ3-CE2 4.14Å; W99-F103 HydrophobicContact CZ3-CG 4.39Å; W99-F103 PolarHBondContact O-N 3.08Å; W99-L105 HydrophobicContact CB-CD2 3.91Å; W99-L108 HydrophobicContact CE3-CD1 4.05Å; W99-L108 HydrophobicContact CZ3-CD1 4.47Å; W99-D116 PolarHBondContact N-OD1 3.36Å
100S96.9Very high89.7Confident57 Ų5739.4 Ų39.440%0.39921%0.208SC..G310 helixtrans-59.5-17.7175.550.50000114.3P98 F102 F103 D116P98-S100 VanDerWaalsContact C-N 3.25Å; P98-S100 PolarHBondContact O-N 3.29Å; S100-F102 VanDerWaalsContact C-N 3.26Å; S100-F102 PolarHBondContact O-N 3.1Å; S100-F103 WeakPolarHBondContact CA-O 3.04Å; S100-D116 VanDerWaalsContact CB-OD2 3.3Å; S100-D116 WeakPolarHBondContact CB-OD2 3.26Å; S100-D116 PolarHBondContact N-OD2 3.3Å; S100-D116 PolarHBondContact OG-OD2 3.01Å
101M96.1Very high91.3Very high59 Ų5934.1 Ų34.129%0.29119%0.188SC..G310 helixtrans-67-28.2170.2-176.559.182.300112.3I97 P98 W99 H283I97-M101 HydrophobicContact CG2-CB 3.71Å; I97-M101 HydrophobicContact CG2-CG 3.88Å; P98-M101 HydrophobicContact CG-CB 4.47Å; P98-M101 VanDerWaalsContact O-CB 3.31Å; P98-M101 WeakPolarHBondContact O-CB 3.16Å; P98-M101 PolarHBondContact O-N 3.04Å; W99-M101 PolarHBondContact O-N 3.17Å; W99-M101 VanDerWaalsContact O-N 3.1Å; M101-H283 PolarHBondContact O-CE1 3.03Å; M101-H283 PolarHBondContact O-NE2 3.35Å
102F98.2Very high92.8Very high0 Ų031.1 Ų31.10%018%0.175CC..THydrogen-bonded Turntrans-119.5-29.8-168.8-62.8-42.7000113.4F22 W70 W76 I97 W99 S100 A281 L284 G433 I436F22-F102 AromaticContact CE2-CD2 3.7Å; F22-F102 HydrophobicContact CE2-CD2 3.7Å; F22-F102 AromaticContact CE2-CE2 3.92Å; F22-F102 HydrophobicContact CE2-CE2 3.92Å; F22-F102 HydrophobicContact CE2-CG 4.25Å; F22-F102 HydrophobicContact CZ-CB 4.25Å; F22-F102 HydrophobicContact CZ-CD1 4.45Å; F22-F102 AromaticContact CZ-CD2 3.85Å; F22-F102 HydrophobicContact CZ-CD2 3.85Å; F22-F102 HydrophobicContact CZ-CE2 4.33Å; F22-F102 AromaticContact CZ-CG 3.92Å; F22-F102 HydrophobicContact CZ-CG 3.92Å; W70-F102 HydrophobicContact CB-CE2 4.04Å; W70-F102 AromaticContact CD1-CD2 3.57Å; W70-F102 AromaticContact CD1-CE2 3.72Å; W70-F102 HydrophobicContact CD2-CD2 4.28Å; W70-F102 HydrophobicContact CD2-CE2 4.39Å; W70-F102 AromaticContact CG-CD2 3.96Å; W70-F102 HydrophobicContact CG-CD2 3.96Å; W70-F102 AromaticContact CG-CE2 3.78Å; W70-F102 HydrophobicContact CG-CE2 3.78Å; W70-F102 AromaticContact NE1-CD2 3.7Å; W76-F102 HydrophobicContact CH2-CE2 4.23Å; W76-F102 HydrophobicContact CH2-CZ 4.22Å; W76-F102 HydrophobicContact CZ2-CZ 4.48Å; I97-F102 HydrophobicContact CD1-CZ 4.4Å; I97-F102 HydrophobicContact CG2-CE2 3.79Å; I97-F102 HydrophobicContact CG2-CZ 3.93Å; W99-F102 PolarHBondContact O-N 3.44Å; S100-F102 VanDerWaalsContact C-N 3.26Å; S100-F102 PolarHBondContact O-N 3.1Å; F102-A281 PolarHBondContact O-N 3.37Å; F102-L284 HydrophobicContact CD1-CD1 4.08Å; F102-G433 VanDerWaalsContact CE1-N 3.28Å; F102-I436 HydrophobicContact CB-CD1 3.5Å; F102-I436 VanDerWaalsContact CB-CD1 3.5Å; F102-I436 HydrophobicContact CD1-CD1 3.94Å; F102-I436 HydrophobicContact CG-CD1 3.95Å
103F98.7Very high94.3Very high2 Ų229.2 Ų29.21%0.00917%0.166CC..BIsolated β-bridgetrans-134151.9-173.4-52.7-70.7000111.6F22 R26 W70 W99 S100 L105 L108 I278 T279 I436F22-F103 HydrophobicContact CE1-CZ 4.39Å; F22-F103 HydrophobicContact CZ-CE2 4.14Å; F22-F103 AromaticContact CZ-CZ 3.95Å; F22-F103 HydrophobicContact CZ-CZ 3.95Å; R26-F103 VanDerWaalsContact CD-CZ 3.41Å; R26-F103 HydrophobicContact CG-CE2 4.26Å; R26-F103 HydrophobicContact CG-CZ 3.91Å; W70-F103 HydrophobicContact CH2-CE2 4.4Å; W70-F103 HydrophobicContact CZ2-CD2 4.37Å; W70-F103 AromaticContact CZ2-CE2 3.69Å; W70-F103 HydrophobicContact CZ2-CE2 3.69Å; W99-F103 HydrophobicContact CD2-CD2 4.17Å; W99-F103 HydrophobicContact CE3-CB 4.38Å; W99-F103 AromaticContact CE3-CD2 3.4Å; W99-F103 HydrophobicContact CE3-CD2 3.4Å; W99-F103 VanDerWaalsContact CE3-CD2 3.4Å; W99-F103 HydrophobicContact CE3-CE2 4.09Å; W99-F103 HydrophobicContact CE3-CG 4.14Å; W99-F103 AromaticContact CZ3-CD2 3.76Å; W99-F103 HydrophobicContact CZ3-CD2 3.76Å; W99-F103 HydrophobicContact CZ3-CE2 4.14Å; W99-F103 HydrophobicContact CZ3-CG 4.39Å; W99-F103 PolarHBondContact O-N 3.08Å; S100-F103 WeakPolarHBondContact CA-O 3.04Å; F103-L105 PolarHBondContact O-N 3.46Å; F103-L108 HydrophobicContact CB-CD1 4.44Å; F103-I278 HydrophobicContact CD1-CG2 3.62Å; F103-I278 HydrophobicContact CE1-CG2 3.93Å; F103-I278 HydrophobicContact CG-CG2 4.17Å; F103-T279 CarbonylContact C-O 3.55Å; F103-T279 VanDerWaalsContact CA-O 3.31Å; F103-T279 WeakPolarHBondContact CA-O 3.34Å; F103-I436 HydrophobicContact CE1-CD1 3.98Å; F103-I436 HydrophobicContact CZ-CD1 3.81Å
104D98.5Very high95.4Very high31 Ų3125.5 Ų25.517%0.16615%0.147CC..  trans-78.1109.9175.2-172.1-12.8000110.5N106 S107 L108 T279D104-N106 VanDerWaalsContact C-N 3.26Å; D104-N106 PolarHBondContact O-N 2.85Å; D104-N106 VanDerWaalsContact OD1-CB 3.29Å; D104-N106 WeakPolarHBondContact OD1-CB 3.27Å; D104-N106 PolarHBondContact OD1-N 3.28Å; D104-N106 PolarHBondContact OD1-ND2 2.83Å; D104-S107 WeakPolarHBondContact O-CB 3.21Å; D104-S107 PolarHBondContact O-N 3.06Å; D104-S107 PolarHBondContact OD2-OG 2.94Å; D104-L108 PolarHBondContact O-N 3.49Å; D104-T279 WeakPolarHBondContact CB-OG1 3.36Å; D104-T279 PolarHBondContact N-O 3.21Å
105L98.3Very high96.2Very high28 Ų2824.9 Ų24.915%0.14715%0.146CC..Hα-helixtrans-68.9-23.1178.9-60.6-166.3000113.2L67 W99 F103 S107 L108 S109 V114 D116L67-L105 HydrophobicContact CD1-CD2 3.72Å; W99-L105 HydrophobicContact CB-CD2 3.91Å; F103-L105 PolarHBondContact O-N 3.46Å; L105-S107 VanDerWaalsContact C-N 3.35Å; L105-L108 HydrophobicContact CD2-CD1 3.74Å; L105-S109 WeakPolarHBondContact O-CB 3.4Å; L105-S109 PolarHBondContact O-N 2.89Å; L105-S109 PolarHBondContact O-OG 2.77Å; L105-V114 HydrophobicContact CB-CG2 4.49Å; L105-V114 HydrophobicContact CD2-CG2 4.37Å; L105-D116 WeakPolarHBondContact CD1-OD2 3.32Å
106N98.2Very high96.8Very high91 Ų9125 Ų2549%0.48715%0.146SC..Hα-helixtrans-66.7-43174.1-59.5-59.1000109.8D104 S109 L110D104-N106 VanDerWaalsContact C-N 3.26Å; D104-N106 PolarHBondContact O-N 2.85Å; D104-N106 VanDerWaalsContact OD1-CB 3.29Å; D104-N106 WeakPolarHBondContact OD1-CB 3.27Å; D104-N106 PolarHBondContact OD1-N 3.28Å; D104-N106 PolarHBondContact OD1-ND2 2.83Å; N106-S109 PolarHBondContact O-N 2.73Å; N106-L110 WeakPolarHBondContact O-CG 3.36Å; N106-L110 PolarHBondContact O-N 3.43Å
107S98.6Very high97.2Very high1 Ų124.9 Ų24.91%0.00714%0.143CC..Hα-helixtrans-59.4-48.2175.3-60.20000112D104 L105 S109 L110 S277 T279 G317 W320D104-S107 WeakPolarHBondContact O-CB 3.21Å; D104-S107 PolarHBondContact O-N 3.06Å; D104-S107 PolarHBondContact OD2-OG 2.94Å; L105-S107 VanDerWaalsContact C-N 3.35Å; S107-S109 VanDerWaalsContact C-N 3.33Å; S107-S109 PolarHBondContact O-N 3.17Å; S107-L110 PolarHBondContact O-N 2.86Å; S107-S277 CarbonylContact C-O 3.54Å; S107-S277 VanDerWaalsContact CB-O 3.29Å; S107-S277 WeakPolarHBondContact CB-O 3.42Å; S107-T279 WeakPolarHBondContact CB-OG1 3.41Å; S107-T279 PolarHBondContact OG-OG1 3.35Å; S107-G317 WeakPolarHBondContact OG-CA 2.98Å; S107-G317 PolarHBondContact OG-O 2.97Å; S107-W320 PolarHBondContact O-NE1 2.73Å
108L98.7Very high97.1Very high0 Ų025.4 Ų25.40%015%0.146CC..Hα-helixtrans-61.5-42.2176.9-63.4175.2000111.5Y29 L67 W99 F103 D104 L105 L110 F111 I112 V114 S277 I278Y29-L108 HydrophobicContact CE1-CD2 3.73Å; Y29-L108 WeakPolarHBondContact OH-CD2 3.44Å; L67-L108 HydrophobicContact CD1-CD1 4.29Å; W99-L108 HydrophobicContact CE3-CD1 4.05Å; W99-L108 HydrophobicContact CZ3-CD1 4.47Å; F103-L108 HydrophobicContact CB-CD1 4.44Å; D104-L108 PolarHBondContact O-N 3.49Å; L105-L108 HydrophobicContact CD2-CD1 3.74Å; L108-L110 PolarHBondContact O-N 3.42Å; L108-F111 PolarHBondContact O-N 3.41Å; L108-I112 PolarHBondContact O-N 2.94Å; L108-V114 HydrophobicContact CB-CG1 4.25Å; L108-V114 HydrophobicContact CB-CG2 3.6Å; L108-V114 HydrophobicContact CD1-CG2 4.3Å; L108-S277 WeakPolarHBondContact CD2-O 3.43Å; L108-I278 HydrophobicContact CD2-CB 4.23Å; L108-I278 HydrophobicContact CD2-CG1 3.83Å
109S98.3Very high97Very high49 Ų4928.4 Ų28.434%0.34316%0.157SC..Hα-helixtrans-65.7-20.1-177.2-66.30000114.3L105 N106 S107 F111 I112 V114L105-S109 WeakPolarHBondContact O-CB 3.4Å; L105-S109 PolarHBondContact O-N 2.89Å; L105-S109 PolarHBondContact O-OG 2.77Å; N106-S109 PolarHBondContact O-N 2.73Å; S107-S109 VanDerWaalsContact C-N 3.33Å; S107-S109 PolarHBondContact O-N 3.17Å; S109-F111 VanDerWaalsContact C-N 3.29Å; S109-I112 VanDerWaalsContact CA-O 3.22Å; S109-I112 WeakPolarHBondContact CA-O 3.37Å; S109-V114 WeakPolarHBondContact OG-CG2 3.38Å
110L98Very high96.8Very high46 Ų4628.8 Ų28.824%0.24116%0.159CC..THydrogen-bonded Turntrans-73.7-19.5173.9-71.4168.4000113.1N106 S107 L108 L314 S318 W320 L321N106-L110 WeakPolarHBondContact O-CG 3.36Å; N106-L110 PolarHBondContact O-N 3.43Å; S107-L110 PolarHBondContact O-N 2.86Å; L108-L110 PolarHBondContact O-N 3.42Å; L110-L314 HydrophobicContact CD2-CB 4.15Å; L110-S318 VanDerWaalsContact CD1-CA 3.4Å; L110-W320 HydrophobicContact CB-CZ2 4.12Å; L110-L321 HydrophobicContact CD1-CD1 4.14Å
111F98.1Very high96.3Very high13 Ų1326.3 Ų26.36%0.05714%0.141CC..THydrogen-bonded Turntrans-89.3-58.3172.3172.7-118.4000111.2A33 R37 L108 S109 T273 V274 W320 Y513A33-F111 HydrophobicContact CB-CD1 4.32Å; A33-F111 HydrophobicContact CB-CE1 3.85Å; R37-F111 HydrophobicContact CB-CE2 4.49Å; R37-F111 HydrophobicContact CB-CZ 3.83Å; R37-F111 HydrophobicContact CG-CE2 4.45Å; R37-F111 HydrophobicContact CG-CZ 4.2Å; L108-F111 PolarHBondContact O-N 3.41Å; S109-F111 VanDerWaalsContact C-N 3.29Å; F111-T273 HydrophobicContact CD2-CG2 3.67Å; F111-T273 HydrophobicContact CE2-CG2 3.81Å; F111-V274 HydrophobicContact CD1-CB 4.48Å; F111-V274 HydrophobicContact CD1-CG1 4.19Å; F111-V274 HydrophobicContact CD1-CG2 3.97Å; F111-V274 HydrophobicContact CE1-CB 4.23Å; F111-V274 HydrophobicContact CE1-CG1 4.13Å; F111-V274 HydrophobicContact CE1-CG2 3.31Å; F111-V274 HydrophobicContact CE2-CG2 4.21Å; F111-V274 HydrophobicContact CZ-CG2 3.44Å; F111-V274 VanDerWaalsContact CZ-CG2 3.44Å; F111-W320 HydrophobicContact CB-CH2 4.27Å; F111-W320 HydrophobicContact CB-CZ2 4.18Å; F111-Y513 HydrophobicContact CD2-CD1 4.22Å; F111-Y513 AromaticContact CD2-CE1 3.71Å; F111-Y513 HydrophobicContact CD2-CE1 3.71Å; F111-Y513 HydrophobicContact CD2-CE2 4.32Å; F111-Y513 AromaticContact CD2-CZ 3.76Å; F111-Y513 HydrophobicContact CE2-CE1 4.39Å; F111-Y513 HydrophobicContact CE2-CE2 4.26Å; F111-Y513 AromaticContact CE2-CZ 3.97Å
112I97.8Very high95.7Very high4 Ų430.7 Ų30.72%0.02115%0.154CC..SBendtrans-139.7150.2173.958.3170.6000109.1A33 V36 R37 L65 L108 S109 V114A33-I112 HydrophobicContact CB-CD1 3.53Å; A33-I112 HydrophobicContact CB-CG1 4.42Å; V36-I112 HydrophobicContact CB-CD1 3.76Å; V36-I112 HydrophobicContact CG1-CB 4.25Å; V36-I112 HydrophobicContact CG1-CD1 3.78Å; V36-I112 HydrophobicContact CG1-CG2 4.26Å; V36-I112 HydrophobicContact CG2-CD1 4.39Å; R37-I112 HydrophobicContact CB-CG2 4.43Å; L65-I112 HydrophobicContact CB-CD1 4.1Å; L65-I112 HydrophobicContact CD2-CD1 3.76Å; L108-I112 PolarHBondContact O-N 2.94Å; S109-I112 VanDerWaalsContact CA-O 3.22Å; S109-I112 WeakPolarHBondContact CA-O 3.37Å; I112-V114 HydrophobicContact CD1-CG1 4.42Å; I112-V114 HydrophobicContact CG1-CG1 4Å; I112-V114 PolarHBondContact O-N 2.96Å; I112-V114 VanDerWaalsContact O-N 3.13Å
113P98Very high94.9Very high42 Ų4232.7 Ų32.727%0.27317%0.168SC..  trans-60120.6174.6-22.934.6000110.8I64 L65I64-P113 WeakPolarHBondContact CA-O 3.48Å; I64-P113 HydrophobicContact CB-CB 4.46Å; I64-P113 HydrophobicContact CG1-CB 4.06Å; I64-P113 HydrophobicContact CG2-CB 4.32Å; L65-P113 PolarHBondContact N-O 2.88Å
114V98.6Very high93.6Very high14 Ų1435 Ų359%0.08518%0.18CC..EExtended strand (participates in β ladder)trans-120.7156.3174.5-550000110.5Y29 L65 L67 L105 L108 S109 I112Y29-V114 HydrophobicContact CE2-CG1 4.26Å; L65-V114 HydrophobicContact CB-CG1 4.21Å; L65-V114 HydrophobicContact CD2-CG1 4.38Å; L65-V114 CarbonylContact O-C 3.6Å; L65-V114 VanDerWaalsContact O-CA 3.25Å; L65-V114 WeakPolarHBondContact O-CA 2.99Å; L67-V114 HydrophobicContact CD1-CB 4.05Å; L67-V114 HydrophobicContact CD1-CG2 4.14Å; L67-V114 HydrophobicContact CD2-CB 4.44Å; L67-V114 HydrophobicContact CD2-CG1 4.46Å; L67-V114 HydrophobicContact CG-CB 4.22Å; L105-V114 HydrophobicContact CB-CG2 4.49Å; L105-V114 HydrophobicContact CD2-CG2 4.37Å; L108-V114 HydrophobicContact CB-CG1 4.25Å; L108-V114 HydrophobicContact CB-CG2 3.6Å; L108-V114 HydrophobicContact CD1-CG2 4.3Å; S109-V114 WeakPolarHBondContact OG-CG2 3.38Å; I112-V114 HydrophobicContact CD1-CG1 4.42Å; I112-V114 HydrophobicContact CG1-CG1 4Å; I112-V114 PolarHBondContact O-N 2.96Å; I112-V114 VanDerWaalsContact O-N 3.13Å
115M97.5Very high91.8Very high15 Ų1535.2 Ų35.27%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-151.6155.2168.367.9-172.9-45.800111.2Y11 I64 L65 V66 L67 E119 F120Y11-M115 HydrophobicContact CD1-SD 4.26Å; Y11-M115 HydrophobicContact CE1-SD 3.81Å; I64-M115 HydrophobicContact CG2-CG 4.07Å; I64-M115 HydrophobicContact CG2-SD 4.02Å; L65-M115 PolarHBondContact O-N 2.94Å; V66-M115 WeakPolarHBondContact CA-O 3.13Å; V66-M115 HydrophobicContact CG1-CG 4.47Å; V66-M115 HydrophobicContact CG2-CG 4.05Å; V66-M115 HydrophobicContact CG2-SD 4.29Å; L67-M115 PolarHBondContact N-O 3.19Å; M115-E119 HydrophobicContact CE-CB 3.84Å; M115-E119 HydrophobicContact CE-CG 3.56Å; M115-F120 HydrophobicContact CE-CB 4.11Å; M115-F120 HydrophobicContact CG-CB 4.43Å; M115-F120 HydrophobicContact SD-CB 3.92Å; M115-F120 HydrophobicContact SD-CD2 4.29Å
116D96.4Very high89.7Confident9 Ų938.9 Ų38.95%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-69.4147.5172.5-83.8-48.7000111.4P98 W99 S100 L105 I118 E119 F120P98-D116 WeakPolarHBondContact CA-OD1 3.09Å; P98-D116 HydrophobicContact CB-CB 4.18Å; P98-D116 WeakPolarHBondContact CB-OD1 3.04Å; P98-D116 VanDerWaalsContact CB-OD2 3.28Å; P98-D116 WeakPolarHBondContact CB-OD2 3.39Å; W99-D116 PolarHBondContact N-OD1 3.36Å; S100-D116 VanDerWaalsContact CB-OD2 3.3Å; S100-D116 WeakPolarHBondContact CB-OD2 3.26Å; S100-D116 PolarHBondContact N-OD2 3.3Å; S100-D116 PolarHBondContact OG-OD2 3.01Å; L105-D116 WeakPolarHBondContact CD1-OD2 3.32Å; D116-I118 VanDerWaalsContact C-N 3.26Å; D116-I118 HydrophobicContact CB-CG2 4.24Å; D116-I118 PolarHBondContact O-N 3.14Å; D116-E119 WeakPolarHBondContact O-CB 3.28Å; D116-E119 PolarHBondContact O-N 3.27Å; D116-F120 PolarHBondContact O-N 2.94Å; D116-F120 VanDerWaalsContact O-N 3.14Å
117L93.9Very high87.6Confident4 Ų440.1 Ų40.12%0.02121%0.208CC..Hα-helixtrans-53.5-44.6177.2-17961.1000112.2F13 V66 L67 P69 E119 F120 Q121 F202 F207 I213 M216F13-L117 HydrophobicContact CD1-CD1 4.06Å; F13-L117 HydrophobicContact CE1-CD1 3.91Å; V66-L117 HydrophobicContact CG1-CB 4.2Å; V66-L117 HydrophobicContact CG1-CD1 3.8Å; L67-L117 PolarHBondContact O-N 3.46Å; P69-L117 HydrophobicContact CG-CD2 4Å; L117-E119 VanDerWaalsContact C-N 3.25Å; L117-E119 PolarHBondContact O-N 3.38Å; L117-F120 WeakPolarHBondContact O-CB 3.31Å; L117-F120 PolarHBondContact O-N 3.04Å; L117-F120 VanDerWaalsContact O-N 3.16Å; L117-Q121 HydrophobicContact CD1-CG 4.3Å; L117-Q121 HydrophobicContact CG-CG 4.36Å; L117-Q121 WeakPolarHBondContact O-CG 3.19Å; L117-Q121 PolarHBondContact O-N 3.17Å; L117-F202 HydrophobicContact CD1-CE2 4.11Å; L117-F202 HydrophobicContact CD1-CZ 4.08Å; L117-F202 HydrophobicContact CD2-CD2 4.1Å; L117-F202 HydrophobicContact CD2-CE1 4.42Å; L117-F202 HydrophobicContact CD2-CE2 3.79Å; L117-F202 HydrophobicContact CD2-CZ 3.96Å; L117-F207 HydrophobicContact CD2-CZ 4.42Å; L117-I213 HydrophobicContact CD2-CG2 3.88Å; L117-I213 HydrophobicContact CG-CG2 4.43Å; L117-M216 HydrophobicContact CD1-SD 3.75Å
118I89.7Confident85.3Confident28 Ų2841.5 Ų41.514%0.14422%0.218CC..Hα-helixtrans-63.5-31.7-178.9-166.8160.9000112.7D116 Q121 R122 N211 I213D116-I118 VanDerWaalsContact C-N 3.26Å; D116-I118 HydrophobicContact CB-CG2 4.24Å; D116-I118 PolarHBondContact O-N 3.14Å; I118-Q121 PolarHBondContact O-N 3.08Å; I118-R122 WeakPolarHBondContact O-CB 3.45Å; I118-R122 VanDerWaalsContact O-CG 3.24Å; I118-R122 WeakPolarHBondContact O-CG 3.43Å; I118-R122 PolarHBondContact O-N 3.18Å; I118-N211 VanDerWaalsContact CD1-O 3.24Å; I118-N211 WeakPolarHBondContact CD1-O 3.26Å; I118-I213 HydrophobicContact CB-CG1 4.29Å; I118-I213 HydrophobicContact CD1-CG1 4.26Å; I118-I213 HydrophobicContact CG1-CG1 4.46Å
119E91.9Very high83Confident102 Ų10247.1 Ų47.148%0.47724%0.244SC..Hα-helixtrans-70.1-42.7175.1-171.3-168.7160.300111M115 D116 L117 Q121 R122 S123M115-E119 HydrophobicContact CE-CB 3.84Å; M115-E119 HydrophobicContact CE-CG 3.56Å; D116-E119 WeakPolarHBondContact O-CB 3.28Å; D116-E119 PolarHBondContact O-N 3.27Å; L117-E119 VanDerWaalsContact C-N 3.25Å; L117-E119 PolarHBondContact O-N 3.38Å; E119-Q121 VanDerWaalsContact C-N 3.31Å; E119-Q121 PolarHBondContact O-N 2.78Å; E119-R122 PolarHBondContact O-N 3.08Å; E119-S123 PolarHBondContact O-N 3.44Å; E119-S123 PolarHBondContact O-OG 3.05Å
120F91.9Very high80.6Confident10 Ų1053.2 Ų53.24%0.04427%0.267CS..Hα-helixtrans-58.5-46.3173.3171.8-90.9000110.8Y11 F13 V66 M115 D116 L117 S123 N124 M216 T250Y11-F120 AromaticContact CD1-CD2 3.56Å; Y11-F120 HydrophobicContact CD1-CD2 3.56Å; Y11-F120 AromaticContact CD1-CE2 3.66Å; Y11-F120 HydrophobicContact CD1-CE2 3.66Å; Y11-F120 HydrophobicContact CD2-CD2 4.48Å; Y11-F120 AromaticContact CD2-CE2 3.75Å; Y11-F120 HydrophobicContact CD2-CE2 3.75Å; Y11-F120 AromaticContact CE1-CD2 3.62Å; Y11-F120 HydrophobicContact CE1-CD2 3.62Å; Y11-F120 AromaticContact CE1-CE2 3.83Å; Y11-F120 HydrophobicContact CE1-CE2 3.83Å; Y11-F120 AromaticContact CE2-CE2 3.94Å; Y11-F120 HydrophobicContact CE2-CE2 3.94Å; Y11-F120 AromaticContact CG-CD2 3.98Å; Y11-F120 HydrophobicContact CG-CD2 3.98Å; Y11-F120 AromaticContact CG-CE2 3.58Å; Y11-F120 HydrophobicContact CG-CE2 3.58Å; Y11-F120 AromaticContact CZ-CE2 3.94Å; F13-F120 AromaticContact CE1-CD1 3.71Å; F13-F120 HydrophobicContact CE1-CD1 3.71Å; F13-F120 HydrophobicContact CE1-CD2 4.45Å; F13-F120 AromaticContact CE1-CE1 3.87Å; F13-F120 HydrophobicContact CE1-CE1 3.87Å; F13-F120 HydrophobicContact CE1-CG 4.05Å; F13-F120 HydrophobicContact CE1-CZ 4.31Å; F13-F120 HydrophobicContact CE2-CZ 4.4Å; F13-F120 AromaticContact CZ-CD1 3.74Å; F13-F120 HydrophobicContact CZ-CD1 3.74Å; F13-F120 HydrophobicContact CZ-CD2 4.01Å; F13-F120 AromaticContact CZ-CE1 3.48Å; F13-F120 HydrophobicContact CZ-CE1 3.48Å; F13-F120 VanDerWaalsContact CZ-CE1 3.48Å; F13-F120 AromaticContact CZ-CE2 3.74Å; F13-F120 HydrophobicContact CZ-CE2 3.74Å; F13-F120 HydrophobicContact CZ-CG 4.02Å; F13-F120 AromaticContact CZ-CZ 3.5Å; F13-F120 HydrophobicContact CZ-CZ 3.5Å; F13-F120 VanDerWaalsContact CZ-CZ 3.5Å; V66-F120 HydrophobicContact CG1-CB 3.88Å; V66-F120 HydrophobicContact CG1-CG 4.34Å; V66-F120 HydrophobicContact CG2-CB 4.18Å; V66-F120 HydrophobicContact CG2-CD2 3.96Å; V66-F120 HydrophobicContact CG2-CG 4.13Å; M115-F120 HydrophobicContact CE-CB 4.11Å; M115-F120 HydrophobicContact CG-CB 4.43Å; M115-F120 HydrophobicContact SD-CB 3.92Å; M115-F120 HydrophobicContact SD-CD2 4.29Å; D116-F120 PolarHBondContact O-N 2.94Å; D116-F120 VanDerWaalsContact O-N 3.14Å; L117-F120 WeakPolarHBondContact O-CB 3.31Å; L117-F120 PolarHBondContact O-N 3.04Å; L117-F120 VanDerWaalsContact O-N 3.16Å; F120-S123 PolarHBondContact O-OG 3.25Å; F120-N124 WeakPolarHBondContact CD2-ND2 3.36Å; F120-N124 WeakPolarHBondContact CE2-ND2 3.02Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.44Å; F120-N124 PolarHBondContact O-N 3.14Å; F120-N124 VanDerWaalsContact O-N 3.16Å; F120-N124 PolarHBondContact O-ND2 3.24Å; F120-M216 HydrophobicContact CE1-CE 4.41Å; F120-T250 HydrophobicContact CZ-CG2 4.36Å
121Q87.5Confident78.2Confident5 Ų555.3 Ų55.32%0.02329%0.286CS..Hα-helixtrans-65.6-42.6-179.5-65-166.8-19.100111.8L117 I118 E119 N124 V125 L141 L214 M216L117-Q121 HydrophobicContact CD1-CG 4.3Å; L117-Q121 HydrophobicContact CG-CG 4.36Å; L117-Q121 WeakPolarHBondContact O-CG 3.19Å; L117-Q121 PolarHBondContact O-N 3.17Å; I118-Q121 PolarHBondContact O-N 3.08Å; E119-Q121 VanDerWaalsContact C-N 3.31Å; E119-Q121 PolarHBondContact O-N 2.78Å; Q121-N124 PolarHBondContact O-N 3.02Å; Q121-V125 VanDerWaalsContact O-CB 3.29Å; Q121-V125 WeakPolarHBondContact O-CB 3.5Å; Q121-V125 WeakPolarHBondContact O-CG2 3.47Å; Q121-V125 PolarHBondContact O-N 3.22Å; Q121-L141 HydrophobicContact CB-CD1 3.61Å; Q121-L141 HydrophobicContact CG-CD1 3.42Å; Q121-L141 VanDerWaalsContact CG-CD1 3.42Å; Q121-L214 PolarHBondContact NE2-O 2.85Å; Q121-M216 PolarHBondContact NE2-SD 3.1Å; Q121-M216 VanDerWaalsContact NE2-SD 3.37Å
122R84.4Confident75.5Confident151 Ų15157.4 Ų57.457%0.5730%0.297SS*.Hα-helixtrans-61.4-49.6177.4-76172.2-178169.63.2111.7I118 E119 N124 V125 L126I118-R122 WeakPolarHBondContact O-CB 3.45Å; I118-R122 VanDerWaalsContact O-CG 3.24Å; I118-R122 WeakPolarHBondContact O-CG 3.43Å; I118-R122 PolarHBondContact O-N 3.18Å; E119-R122 PolarHBondContact O-N 3.08Å; R122-N124 VanDerWaalsContact C-N 3.34Å; R122-N124 PolarHBondContact O-N 3.22Å; R122-V125 PolarHBondContact O-N 2.89Å; R122-L126 HydrophobicContact CB-CD1 4.26Å; R122-L126 WeakPolarHBondContact O-CB 3.2Å; R122-L126 WeakPolarHBondContact O-CD1 3.14Å; R122-L126 PolarHBondContact O-N 3.27Å
123S80.6Confident73.2Confident41 Ų4165.1 Ų65.129%0.28734%0.338SS..Hα-helixtrans-57.1-45.8179.250.10000112.2E119 F120 D127E119-S123 PolarHBondContact O-N 3.44Å; E119-S123 PolarHBondContact O-OG 3.05Å; F120-S123 PolarHBondContact O-OG 3.25Å; S123-D127 WeakPolarHBondContact O-CB 3.4Å; S123-D127 VanDerWaalsContact O-CG 3.23Å; S123-D127 PolarHBondContact O-N 3.42Å
124N71.6Confident70.5Confident52 Ų5270.4 Ų70.428%0.27836%0.363SS..Hα-helixtrans-72.9-34.1178.8-73.1-81.4000113.8F120 Q121 R122 S128 L141F120-N124 WeakPolarHBondContact CD2-ND2 3.36Å; F120-N124 WeakPolarHBondContact CE2-ND2 3.02Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.44Å; F120-N124 PolarHBondContact O-N 3.14Å; F120-N124 VanDerWaalsContact O-N 3.16Å; F120-N124 PolarHBondContact O-ND2 3.24Å; Q121-N124 PolarHBondContact O-N 3.02Å; R122-N124 VanDerWaalsContact C-N 3.34Å; R122-N124 PolarHBondContact O-N 3.22Å; N124-S128 WeakPolarHBondContact O-CB 3.43Å; N124-S128 PolarHBondContact O-N 3.27Å; N124-L141 HydrophobicContact CB-CD2 4.06Å
125V60.2Low67.8Low34 Ų3479.5 Ų79.521%0.20640%0.396CS..Hα-helixtrans-69-42.5175171.50000110.3Q121 R122 S128 Q129 L141 L214Q121-V125 VanDerWaalsContact O-CB 3.29Å; Q121-V125 WeakPolarHBondContact O-CB 3.5Å; Q121-V125 WeakPolarHBondContact O-CG2 3.47Å; Q121-V125 PolarHBondContact O-N 3.22Å; R122-V125 PolarHBondContact O-N 2.89Å; V125-S128 WeakPolarHBondContact CA-OG 3.37Å; V125-S128 CarbonylContact O-C 3.53Å; V125-S128 PolarHBondContact O-N 2.73Å; V125-S128 PolarHBondContact O-OG 3.44Å; V125-Q129 HydrophobicContact CG1-CG 4.3Å; V125-Q129 WeakPolarHBondContact O-CG 2.97Å; V125-Q129 PolarHBondContact O-N 3.16Å; V125-L141 HydrophobicContact CG2-CD1 4.35Å; V125-L141 HydrophobicContact CG2-CD2 4.41Å; V125-L214 HydrophobicContact CG2-CD1 3.8Å
126L53.7Low65.2Low106 Ų10684.7 Ų84.756%0.55543%0.434SS*.Hα-helixtrans-64.8-42.3176.8-88.2128.1000112.2R122 S128 Q129 Q130R122-L126 HydrophobicContact CB-CD1 4.26Å; R122-L126 WeakPolarHBondContact O-CB 3.2Å; R122-L126 WeakPolarHBondContact O-CD1 3.14Å; R122-L126 PolarHBondContact O-N 3.27Å; L126-S128 PolarHBondContact O-N 2.97Å; L126-Q129 PolarHBondContact O-N 3.45Å; L126-Q130 PolarHBondContact O-N 2.97Å
127D53.8Low62.9Low117 Ų11788.8 Ų88.863%0.62646%0.463SS*.Hα-helixtrans-60.1-37.9173.2-73.6-15.6000110.8S123S123-D127 WeakPolarHBondContact O-CB 3.4Å; S123-D127 VanDerWaalsContact O-CG 3.23Å; S123-D127 PolarHBondContact O-N 3.42Å
128S51.8Low60.7Low30 Ų3096.3 Ų96.321%0.2150%0.503CS..Hα-helixtrans-71.6-32.5172.6810000112.7N124 V125 L126 Q130 S131 L132N124-S128 WeakPolarHBondContact O-CB 3.43Å; N124-S128 PolarHBondContact O-N 3.27Å; V125-S128 WeakPolarHBondContact CA-OG 3.37Å; V125-S128 CarbonylContact O-C 3.53Å; V125-S128 PolarHBondContact O-N 2.73Å; V125-S128 PolarHBondContact O-OG 3.44Å; L126-S128 PolarHBondContact O-N 2.97Å; S128-Q130 VanDerWaalsContact C-N 3.31Å; S128-Q130 PolarHBondContact O-N 2.88Å; S128-S131 CarbonylContact O-C 3.54Å; S128-S131 VanDerWaalsContact O-CA 3.22Å; S128-S131 WeakPolarHBondContact O-CA 3.42Å; S128-S131 VanDerWaalsContact O-CB 3.3Å; S128-S131 WeakPolarHBondContact O-CB 2.84Å; S128-S131 PolarHBondContact O-N 2.91Å; S128-S131 PolarHBondContact O-OG 2.81Å; S128-L132 VanDerWaalsContact O-CG 3.24Å; S128-L132 WeakPolarHBondContact O-CG 3.24Å; S128-L132 PolarHBondContact O-N 2.87Å; S128-L132 VanDerWaalsContact OG-CD1 3.27Å; S128-L132 WeakPolarHBondContact OG-CD1 3.4Å
129Q49.1Very low59Low117 Ų117102 Ų10255%0.54753%0.529SS..Hα-helixtrans-65.3-31.8-177.1-82.5-167.81700113.4V125 L126 S131 L132V125-Q129 HydrophobicContact CG1-CG 4.3Å; V125-Q129 WeakPolarHBondContact O-CG 2.97Å; V125-Q129 PolarHBondContact O-N 3.16Å; L126-Q129 PolarHBondContact O-N 3.45Å; Q129-S131 PolarHBondContact O-N 2.86Å; Q129-S131 VanDerWaalsContact O-N 3.16Å; Q129-L132 HydrophobicContact CB-CD1 4.37Å; Q129-L132 HydrophobicContact CG-CD1 3.71Å; Q129-L132 PolarHBondContact O-N 2.81Å
130Q47.4Very low57.7Low178 Ų178100.3 Ų100.383%0.83252%0.523SS*.THydrogen-bonded Turntrans-59.7-23.1167.9-69.4-1730.900112.4L126 S128L126-Q130 PolarHBondContact O-N 2.97Å; S128-Q130 VanDerWaalsContact C-N 3.31Å; S128-Q130 PolarHBondContact O-N 2.88Å
131S47.7Very low57.1Low89 Ų89101 Ų10162%0.62253%0.527SS*.THydrogen-bonded Turntrans-96.8-13.8171.986.60000114.8S128 Q129 L133S128-S131 CarbonylContact O-C 3.54Å; S128-S131 VanDerWaalsContact O-CA 3.22Å; S128-S131 WeakPolarHBondContact O-CA 3.42Å; S128-S131 VanDerWaalsContact O-CB 3.3Å; S128-S131 WeakPolarHBondContact O-CB 2.84Å; S128-S131 PolarHBondContact O-N 2.91Å; S128-S131 PolarHBondContact O-OG 2.81Å; Q129-S131 PolarHBondContact O-N 2.86Å; Q129-S131 VanDerWaalsContact O-N 3.16Å; S131-L133 PolarHBondContact O-N 3.5Å
132L43.1Very low57.2Low58 Ų58103.8 Ų103.830%0.30455%0.545SS..G310 helixtrans-882.5-167.9-74165.7000115.7S128 Q129 N134 R135S128-L132 VanDerWaalsContact O-CG 3.24Å; S128-L132 WeakPolarHBondContact O-CG 3.24Å; S128-L132 PolarHBondContact O-N 2.87Å; S128-L132 VanDerWaalsContact OG-CD1 3.27Å; S128-L132 WeakPolarHBondContact OG-CD1 3.4Å; Q129-L132 HydrophobicContact CB-CD1 4.37Å; Q129-L132 HydrophobicContact CG-CD1 3.71Å; Q129-L132 PolarHBondContact O-N 2.81Å; L132-N134 PolarHBondContact O-N 3.08Å; L132-R135 HydrophobicContact CD2-CB 4.2Å; L132-R135 PolarHBondContact O-N 3.35Å
133L47.4Very low57.6Low165 Ų16596.7 Ų96.786%0.86452%0.518SS*.G310 helixtrans-54.1-9.2168.4-85.5167.8000113.1S131S131-L133 PolarHBondContact O-N 3.5Å
134N43.3Very low58.2Low153 Ų15396.9 Ų96.982%0.81852%0.516SS*.G310 helixtrans-125.811.3-179.8-78.8-30.9000117.8L132L132-N134 PolarHBondContact O-N 3.08Å
135R40.2Very low59.4Low206 Ų20695.1 Ų95.178%0.77751%0.506SS*.  trans-137.7108.9177.9-78.6-169.7-178.6-177.51.5115.5L132 S137L132-R135 HydrophobicContact CD2-CB 4.2Å; L132-R135 PolarHBondContact O-N 3.35Å; R135-S137 PolarHBondContact O-N 2.92Å
136S43.3Very low61.1Low124 Ų12493.5 Ų93.587%0.86750%0.496SS*.  trans-8293.3165.655.60000111.1
137S48Very low63.1Low94 Ų9488.4 Ų88.466%0.65747%0.47SS*.SBendtrans170.5120.4157.549.20000110.8R135 H139R135-S137 PolarHBondContact O-N 2.92Å; S137-H139 PolarHBondContact O-N 3.16Å
138N49Very low65Low162 Ų16284.1 Ų84.187%0.86645%0.446SS*.  trans12.867.5147.9-74.1-10.6000116.6L140N138-L140 VanDerWaalsContact C-N 3.29Å; N138-L140 PolarHBondContact O-N 2.77Å
139H53.4Low67.1Low147 Ų14782.7 Ų82.768%0.68144%0.436SS*.  trans-77.592.8169.2-152.224.6000107.2S137 L141S137-H139 PolarHBondContact O-N 3.16Å; H139-L141 PolarHBondContact O-N 2.93Å
140L64.5Low69.1Low67 Ų6778.4 Ų78.435%0.35142%0.418SS..  trans-57.1129.5166-69.8164.6000107.2N138 T142 P215 T217N138-L140 VanDerWaalsContact C-N 3.29Å; N138-L140 PolarHBondContact O-N 2.77Å; L140-T142 PolarHBondContact O-N 3.33Å; L140-T142 PolarHBondContact O-OG1 3.11Å; L140-P215 HydrophobicContact CD2-CB 3.84Å; L140-P215 HydrophobicContact CD2-CG 4.48Å; L140-P215 WeakPolarHBondContact CD2-O 3.39Å; L140-T217 HydrophobicContact CB-CG2 4.21Å; L140-T217 HydrophobicContact CD1-CG2 3.94Å
141L79.9Confident70.8Confident25 Ų2576.7 Ų76.713%0.13140%0.404CS..EExtended strand (participates in β ladder)trans-64.4124.8174.2-72.3167.7000108.2Q121 N124 V125 H139 M216 T217Q121-L141 HydrophobicContact CB-CD1 3.61Å; Q121-L141 HydrophobicContact CG-CD1 3.42Å; Q121-L141 VanDerWaalsContact CG-CD1 3.42Å; N124-L141 HydrophobicContact CB-CD2 4.06Å; V125-L141 HydrophobicContact CG2-CD1 4.35Å; V125-L141 HydrophobicContact CG2-CD2 4.41Å; H139-L141 PolarHBondContact O-N 2.93Å; L141-M216 HydrophobicContact CB-CG 4.06Å; L141-M216 WeakPolarHBondContact O-CA 3.4Å; L141-T217 PolarHBondContact O-N 3.13Å
142T88.4Confident71.6Confident64 Ų6474.1 Ų74.139%0.39339%0.392SS..EExtended strand (participates in β ladder)trans-111.1123.7-175.2-56.30000110.5L140 T217 S219L140-T142 PolarHBondContact O-N 3.33Å; L140-T142 PolarHBondContact O-OG1 3.11Å; T142-T217 CarbonylContact C-O 3.37Å; T142-T217 WeakPolarHBondContact CA-O 3.49Å; T142-T217 PolarHBondContact OG1-OG1 2.78Å; T142-S219 WeakPolarHBondContact CG2-OG 3.43Å
143V92.4Very high72.5Confident1 Ų176.7 Ų76.71%0.00641%0.406CS..EExtended strand (participates in β ladder)trans-81.4147.8170.8-1790000109.5F13 L201 M216 T217 A218 S219 T250F13-V143 HydrophobicContact CD2-CG2 4.41Å; F13-V143 HydrophobicContact CE2-CG2 4.4Å; V143-L201 HydrophobicContact CG2-CD1 4.1Å; V143-M216 HydrophobicContact CG2-CE 3.46Å; V143-M216 VanDerWaalsContact CG2-CE 3.46Å; V143-T217 PolarHBondContact N-O 3.35Å; V143-A218 HydrophobicContact CB-CB 4.31Å; V143-A218 CarbonylContact O-C 3.5Å; V143-A218 VanDerWaalsContact O-CA 3.22Å; V143-A218 WeakPolarHBondContact O-CA 3.48Å; V143-S219 PolarHBondContact O-N 3.43Å; V143-T250 VanDerWaalsContact CA-OG1 3.32Å; V143-T250 WeakPolarHBondContact CA-OG1 3.38Å; V143-T250 VanDerWaalsContact CG1-O 3.25Å; V143-T250 WeakPolarHBondContact CG1-O 3.47Å
144D94.5Very high73.2Confident45 Ų4572.6 Ų72.624%0.24138%0.381CS..SBendtrans-71.5-43.5-177-61.9-52.4000111.8A220 I248 T249 T250D144-A220 PolarHBondContact O-N 3.35Å; D144-I248 HydrophobicContact CB-CB 4.44Å; D144-I248 HydrophobicContact CB-CG2 4.16Å; D144-T249 WeakPolarHBondContact OD2-CA 3.49Å; D144-T249 PolarHBondContact OD2-N 3.26Å; D144-T249 PolarHBondContact OD2-OG1 2.87Å; D144-T250 WeakPolarHBondContact CB-O 3.25Å; D144-T250 VanDerWaalsContact CG-OG1 3.31Å; D144-T250 PolarHBondContact N-O 3.37Å; D144-T250 PolarHBondContact N-OG1 3.24Å; D144-T250 PolarHBondContact OD2-N 2.85Å; D144-T250 PolarHBondContact OD2-OG1 3.23Å
145L95.5Very high73.6Confident15 Ų1570.5 Ų70.58%0.07937%0.37CS..EExtended strand (participates in β ladder)trans-143.3129.2179.917961.6000111.6L147 A220 D222 L240 I248 T250 L251 Y252L145-L147 HydrophobicContact CD1-CD2 4.13Å; L145-L147 HydrophobicContact CD2-CD1 4.46Å; L145-L147 HydrophobicContact CD2-CD2 3.93Å; L145-L147 HydrophobicContact CD2-CG 4.13Å; L145-L147 HydrophobicContact CG-CD2 4.03Å; L145-L147 HydrophobicContact CG-CG 4.13Å; L145-A220 HydrophobicContact CD1-CB 3.96Å; L145-D222 HydrophobicContact CD1-CB 4.45Å; L145-L240 HydrophobicContact CD2-CD2 3.86Å; L145-L240 HydrophobicContact CD2-CG 4.4Å; L145-I248 HydrophobicContact CB-CD1 4.27Å; L145-I248 HydrophobicContact CB-CG2 4.19Å; L145-I248 HydrophobicContact CD2-CD1 3.77Å; L145-T250 PolarHBondContact N-O 3.47Å; L145-L251 HydrophobicContact CB-CD1 4.15Å; L145-L251 HydrophobicContact CD2-CD1 4.06Å; L145-L251 HydrophobicContact CG-CD1 4.08Å; L145-L251 CarbonylContact O-C 3.48Å; L145-L251 WeakPolarHBondContact O-CA 3.45Å; L145-Y252 PolarHBondContact O-N 3.34Å
146A95.9Very high74Confident0 Ų072.5 Ų72.50%038%0.377CS..EExtended strand (participates in β ladder)trans-108.1125.4166.300000110.7M199 L201 A218 A220 Y221 D222 Y252A146-M199 HydrophobicContact CB-SD 3.98Å; A146-L201 HydrophobicContact CB-CD2 3.86Å; A146-A218 HydrophobicContact CB-CB 3.62Å; A146-A220 PolarHBondContact N-O 3.3Å; A146-Y221 HydrophobicContact CB-CD1 3.76Å; A146-Y221 HydrophobicContact CB-CE1 3.98Å; A146-Y221 WeakPolarHBondContact O-CA 3.5Å; A146-D222 PolarHBondContact O-N 3.33Å; A146-Y252 CarbonylContact C-O 3.52Å; A146-Y252 WeakPolarHBondContact CA-O 3.15Å; A146-Y252 HydrophobicContact CB-CD1 4Å; A146-Y252 HydrophobicContact CB-CG 4.41Å
147L96.6Very high74.2Confident0 Ų074.7 Ų74.70%037%0.374CS..EExtended strand (participates in β ladder)trans-109122.1177.4-65.7-180000109.9L145 L149 D222 I224 L237 L240 L251 Y252 L253 G254L145-L147 HydrophobicContact CD1-CD2 4.13Å; L145-L147 HydrophobicContact CD2-CD1 4.46Å; L145-L147 HydrophobicContact CD2-CD2 3.93Å; L145-L147 HydrophobicContact CD2-CG 4.13Å; L145-L147 HydrophobicContact CG-CD2 4.03Å; L145-L147 HydrophobicContact CG-CG 4.13Å; L147-L149 HydrophobicContact CB-CD1 4.35Å; L147-D222 WeakPolarHBondContact CA-O 3.48Å; L147-D222 HydrophobicContact CD2-CB 3.69Å; L147-I224 HydrophobicContact CD1-CD1 4.24Å; L147-I224 HydrophobicContact CD2-CG2 4.38Å; L147-L237 HydrophobicContact CD1-CD2 3.56Å; L147-L240 HydrophobicContact CD1-CD2 3.77Å; L147-L240 HydrophobicContact CD2-CD2 4.33Å; L147-L251 HydrophobicContact CD1-CD1 3.96Å; L147-L251 HydrophobicContact CG-CD1 4.09Å; L147-Y252 PolarHBondContact N-O 3.05Å; L147-L253 HydrophobicContact CB-CD2 4.14Å; L147-L253 HydrophobicContact CD1-CD2 4.16Å; L147-G254 PolarHBondContact O-N 3.02Å
148Q94.8Very high74.1Confident26 Ų2673.2 Ų73.212%0.12136%0.358CS..EExtended strand (participates in β ladder)trans-79.8122.3167.3-172.762.223.500109V150 Y180 M199 D222 C223 I224 S255Q148-V150 HydrophobicContact CB-CG2 4.41Å; Q148-V150 HydrophobicContact CG-CG2 3.8Å; Q148-Y180 HydrophobicContact CB-CD1 3.95Å; Q148-Y180 HydrophobicContact CB-CE1 3.48Å; Q148-Y180 VanDerWaalsContact CB-CE1 3.48Å; Q148-Y180 HydrophobicContact CG-CE1 3.72Å; Q148-M199 HydrophobicContact CB-CE 3.42Å; Q148-M199 VanDerWaalsContact CB-CE 3.42Å; Q148-M199 HydrophobicContact CG-CE 4.28Å; Q148-M199 VanDerWaalsContact OE1-CE 3.29Å; Q148-D222 PolarHBondContact N-O 3.04Å; Q148-C223 HydrophobicContact CB-CB 3.71Å; Q148-C223 CarbonylContact O-C 3.46Å; Q148-C223 VanDerWaalsContact O-CA 3.27Å; Q148-C223 WeakPolarHBondContact O-CA 3.28Å; Q148-C223 WeakPolarHBondContact O-CB 3.32Å; Q148-I224 PolarHBondContact O-N 2.89Å; Q148-S255 PolarHBondContact NE2-OG 3.39Å
149L95.5Very high73.8Confident1 Ų174.9 Ų74.91%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-86.4119.8169.7-77.262.4000108.3L147 I224 L228 L233 L253 G254 S255 S258 I259L147-L149 HydrophobicContact CB-CD1 4.35Å; L149-I224 HydrophobicContact CD1-CD1 3.99Å; L149-I224 HydrophobicContact CD1-CG1 4.07Å; L149-I224 HydrophobicContact CG-CD1 4.06Å; L149-I224 HydrophobicContact CG-CG1 4.06Å; L149-L228 HydrophobicContact CB-CD1 4Å; L149-L228 HydrophobicContact CD2-CD1 4.37Å; L149-L228 HydrophobicContact CD2-CD2 4.46Å; L149-L228 HydrophobicContact CG-CD1 4.26Å; L149-L228 HydrophobicContact CG-CD2 4.36Å; L149-L233 HydrophobicContact CD2-CD2 4.46Å; L149-L253 HydrophobicContact CD1-CB 3.93Å; L149-L253 HydrophobicContact CD1-CD2 4.08Å; L149-L253 HydrophobicContact CD1-CG 4.47Å; L149-G254 WeakPolarHBondContact CB-O 3.47Å; L149-G254 PolarHBondContact N-O 3.44Å; L149-S255 WeakPolarHBondContact O-CB 3.33Å; L149-S258 PolarHBondContact O-OG 3.39Å; L149-I259 HydrophobicContact CD2-CD1 3.82Å; L149-I259 HydrophobicContact CD2-CG1 3.34Å
150V91Very high73.2Confident26 Ų2676 Ų7616%0.15837%0.366CS..  trans-113.9119.2-179.1-168.90000108.3Q148 F154 L176 C223 I224 T225Q148-V150 HydrophobicContact CB-CG2 4.41Å; Q148-V150 HydrophobicContact CG-CG2 3.8Å; V150-F154 HydrophobicContact CB-CE2 4.2Å; V150-F154 HydrophobicContact CB-CZ 4.35Å; V150-F154 HydrophobicContact CG1-CE2 3.74Å; V150-F154 HydrophobicContact CG1-CZ 3.5Å; V150-F154 VanDerWaalsContact CG1-CZ 3.5Å; V150-L176 HydrophobicContact CG1-CD2 4.33Å; V150-L176 HydrophobicContact CG2-CD2 4.42Å; V150-C223 HydrophobicContact CG2-CB 4.22Å; V150-I224 PolarHBondContact N-O 3.02Å; V150-T225 WeakPolarHBondContact O-CA 3.25Å; V150-T225 WeakPolarHBondContact O-CB 3.19Å; V150-T225 PolarHBondContact O-OG1 3.01Å
151R81.7Confident72.1Confident142 Ų14279.2 Ų79.254%0.53638%0.375SS..  trans-80120.2162.5-78-167175.9161.914.7108.7Q257 S258R151-Q257 PolarHBondContact NH2-O 2.99Å; R151-S258 VanDerWaalsContact CZ-O 3.32Å; R151-S258 PolarHBondContact NE-O 3.39Å; R151-S258 PolarHBondContact NH2-O 3.06Å
152G66.4Low70.5Confident36 Ų3683.5 Ų83.537%0.37141%0.407SS..  trans-168.4140.6173.500000111.3F154G152-F154 WeakPolarHBondContact O-CD2 3.36Å; G152-F154 PolarHBondContact O-N 3.2Å; G152-F154 VanDerWaalsContact O-N 3.08Å
153D59.9Low68.4Low112 Ų11285.4 Ų85.460%0.59942%0.415SS*.  trans-80.677167.2-166.7-8.1000108.6N155 L158D153-N155 VanDerWaalsContact C-N 3.32Å; D153-L158 WeakPolarHBondContact OD1-CB 3.34Å; D153-L158 WeakPolarHBondContact OD1-CD1 3.5Å
154F62.7Low66.4Low79 Ų7990.6 Ų90.635%0.34644%0.442SS..  trans-77.3-17-173.7-70.8-69.9000113.7V150 G152 R156 P173 L176 T225V150-F154 HydrophobicContact CB-CE2 4.2Å; V150-F154 HydrophobicContact CB-CZ 4.35Å; V150-F154 HydrophobicContact CG1-CE2 3.74Å; V150-F154 HydrophobicContact CG1-CZ 3.5Å; V150-F154 VanDerWaalsContact CG1-CZ 3.5Å; G152-F154 WeakPolarHBondContact O-CD2 3.36Å; G152-F154 PolarHBondContact O-N 3.2Å; G152-F154 VanDerWaalsContact O-N 3.08Å; F154-R156 PolarHBondContact O-N 2.91Å; F154-P173 HydrophobicContact CB-CG 3.5Å; F154-P173 HydrophobicContact CD1-CG 3.83Å; F154-P173 HydrophobicContact CD2-CG 4.42Å; F154-P173 HydrophobicContact CG-CG 3.66Å; F154-L176 HydrophobicContact CE1-CD2 3.77Å; F154-L176 HydrophobicContact CE2-CD2 4.41Å; F154-L176 HydrophobicContact CZ-CD2 3.57Å; F154-T225 HydrophobicContact CD2-CG2 3.83Å; F154-T225 VanDerWaalsContact CD2-OG1 3.28Å; F154-T225 WeakPolarHBondContact CD2-OG1 3.29Å; F154-T225 HydrophobicContact CE2-CG2 4.27Å; F154-T225 WeakPolarHBondContact CE2-OG1 3.36Å
155N52.4Low64.3Low109 Ų10994.8 Ų94.858%0.58347%0.465SS*.  trans-93.192.1169.2-67.8-35000108D153 Q157 L158D153-N155 VanDerWaalsContact C-N 3.32Å; N155-Q157 PolarHBondContact O-N 3.29Å; N155-L158 HydrophobicContact CB-CD1 3.57Å; N155-L158 HydrophobicContact CB-CG 3.81Å; N155-L158 WeakPolarHBondContact O-CB 3.41Å; N155-L158 WeakPolarHBondContact O-CG 3.34Å; N155-L158 PolarHBondContact O-N 3.2Å
156R48.3Very low62.7Low247 Ų24797.5 Ų97.593%0.93248%0.479SS*.THydrogen-bonded Turntrans-57.72.3176.8-140.2-171.5-68.1-167.8-1.1115.1F154F154-R156 PolarHBondContact O-N 2.91Å
157Q47.6Very low61.9Low171 Ų171102.6 Ų102.680%0.79950%0.498SS*.THydrogen-bonded Turntrans-101.911172.8-62.3-153.9-26.100113.3N155 E159N155-Q157 PolarHBondContact O-N 3.29Å; Q157-E159 VanDerWaalsContact C-N 3.32Å; Q157-E159 PolarHBondContact O-N 3.06Å
158L46.8Very low61.3Low62 Ų62106.2 Ų106.233%0.32551%0.514SS..G310 helixtrans-7913.8-171.4-95.1166.3000117D153 N155 Q160 Y161D153-L158 WeakPolarHBondContact OD1-CB 3.34Å; D153-L158 WeakPolarHBondContact OD1-CD1 3.5Å; N155-L158 HydrophobicContact CB-CD1 3.57Å; N155-L158 HydrophobicContact CB-CG 3.81Å; N155-L158 WeakPolarHBondContact O-CB 3.41Å; N155-L158 WeakPolarHBondContact O-CG 3.34Å; N155-L158 PolarHBondContact O-N 3.2Å; L158-Q160 PolarHBondContact O-N 3.22Å; L158-Q160 VanDerWaalsContact O-N 3.08Å; L158-Y161 HydrophobicContact CD2-CD2 3.4Å; L158-Y161 HydrophobicContact CD2-CE2 4.41Å; L158-Y161 HydrophobicContact CD2-CG 3.9Å; L158-Y161 HydrophobicContact CG-CD2 4.14Å
159E42.7Very low61.2Low198 Ų198105.2 Ų105.293%0.92551%0.51SS*.G310 helixtrans-65.9-3.4164.1-81.1-17317300112.9Q157Q157-E159 VanDerWaalsContact C-N 3.32Å; Q157-E159 PolarHBondContact O-N 3.06Å
160Q40.4Very low61Low169 Ų169108.5 Ų108.579%0.7953%0.527SS*.G310 helixtrans-1232.7-170.8-69.6-170.1-3.600117.7L158 S162L158-Q160 PolarHBondContact O-N 3.22Å; L158-Q160 VanDerWaalsContact O-N 3.08Å; Q160-S162 PolarHBondContact O-N 2.87Å
161Y41.6Very low61.2Low136 Ų136110.1 Ų110.153%0.53353%0.533SS..  trans-94.488.4177.7-70.6-78.7000112.1L158 D166L158-Y161 HydrophobicContact CD2-CD2 3.4Å; L158-Y161 HydrophobicContact CD2-CE2 4.41Å; L158-Y161 HydrophobicContact CD2-CG 3.9Å; L158-Y161 HydrophobicContact CG-CD2 4.14Å; Y161-D166 WeakPolarHBondContact CD1-OD2 3.41Å; Y161-D166 WeakPolarHBondContact CE1-OD2 3.26Å
162S45.3Very low61.7Low115 Ų115103.6 Ų103.680%0.80451%0.509SS*.  trans-84.410.7165.370.90000113.1Q160Q160-S162 PolarHBondContact O-N 2.87Å
163N45Very low62.8Low104 Ų104104.5 Ų104.556%0.55651%0.508SS*.  trans-103.1124.5-174.6-79.3-24.6000110.9N165 D166N163-N165 PolarHBondContact O-N 3.43Å; N163-D166 PolarHBondContact O-N 3.09Å
164D50.6Low64.1Low109 Ų109106 Ų10658%0.58351%0.51SS*.G310 helixtrans-56.5-19.8174.4-81.2-34000113.7D166 R167D164-D166 PolarHBondContact O-N 2.94Å; D164-D166 VanDerWaalsContact O-N 3.1Å; D164-R167 WeakPolarHBondContact O-CB 3.37Å; D164-R167 PolarHBondContact O-N 2.92Å; D164-R167 VanDerWaalsContact O-N 3.15Å; D164-R167 IonicContact OD1-CZ 3.08Å; D164-R167 IonicContact OD1-NE 3.66Å; D164-R167 PolarHBondContact OD1-NE 3.12Å; D164-R167 IonicContact OD1-NH2 3.75Å; D164-R167 PolarHBondContact OD1-NH2 2.94Å; D164-R167 VanDerWaalsContact OD1-NH2 3.11Å
165N49.8Very low65.2Low134 Ų134109.1 Ų109.172%0.71753%0.525SS*.G310 helixtrans-62.2-14.4177-77.5-19.6000114.2N163N163-N165 PolarHBondContact O-N 3.43Å
166D61.7Low66.8Low71 Ų71106.4 Ų106.438%0.3851%0.51SS..G310 helixtrans-96.5-0.8179.3-63.8-58.7000113.7Y161 N163 D164 K168Y161-D166 WeakPolarHBondContact CD1-OD2 3.41Å; Y161-D166 WeakPolarHBondContact CE1-OD2 3.26Å; N163-D166 PolarHBondContact O-N 3.09Å; D164-D166 PolarHBondContact O-N 2.94Å; D164-D166 VanDerWaalsContact O-N 3.1Å; D166-K168 PolarHBondContact O-N 3.46Å
167R78.4Confident68.8Low107 Ų10796.9 Ų96.940%0.40447%0.474SS..  trans-7663.3176.9-65.6-168.3-167.1-1388.4112.7H51 D164 D227 H232H51-R167 PolarHBondContact CE1-O 2.95Å; H51-R167 PolarHBondContact NE2-O 3.43Å; D164-R167 WeakPolarHBondContact O-CB 3.37Å; D164-R167 PolarHBondContact O-N 2.92Å; D164-R167 VanDerWaalsContact O-N 3.15Å; D164-R167 IonicContact OD1-CZ 3.08Å; D164-R167 IonicContact OD1-NE 3.66Å; D164-R167 PolarHBondContact OD1-NE 3.12Å; D164-R167 IonicContact OD1-NH2 3.75Å; D164-R167 PolarHBondContact OD1-NH2 2.94Å; D164-R167 VanDerWaalsContact OD1-NH2 3.11Å; R167-D227 HydrophobicContact CB-CB 4.15Å; R167-D227 WeakPolarHBondContact CB-OD2 3.14Å; R167-D227 WeakPolarHBondContact CD-OD2 3.27Å; R167-D227 WeakPolarHBondContact CG-OD2 3.42Å; R167-H232 PolarHBondContact O-CE1 3.16Å; R167-H232 PolarHBondContact O-ND1 3.18Å
168K84.8Confident70.7Confident76 Ų7693.8 Ų93.833%0.3346%0.458SS..  trans-124.4163.1-179.962.3-179174.6115.50111.9D166 D170 G226 D227D166-K168 PolarHBondContact O-N 3.46Å; K168-D170 WeakPolarHBondContact CE-OD2 3.32Å; K168-D170 IonicContact NZ-OD1 3.82Å; K168-D170 PolarHBondContact NZ-OD1 3.34Å; K168-D170 IonicContact NZ-OD2 2.96Å; K168-D170 PolarHBondContact NZ-OD2 2.97Å; K168-G226 WeakPolarHBondContact O-CA 3.22Å; K168-D227 PolarHBondContact O-N 3.12Å
169V92.5Very high72.6Confident6 Ų693.7 Ų93.74%0.03646%0.463CS..EExtended strand (participates in β ladder)trans-91.9130.6168179.90000108.3I224 T225 D227 L228 H232 L233 F236V169-I224 HydrophobicContact CG1-CB 4.12Å; V169-I224 HydrophobicContact CG1-CD1 4.03Å; V169-T225 WeakPolarHBondContact CA-O 3.44Å; V169-D227 WeakPolarHBondContact CG2-O 3.43Å; V169-L228 HydrophobicContact CG1-CD2 4.14Å; V169-L228 HydrophobicContact CG2-CD2 4.07Å; V169-H232 HydrophobicContact CG2-CB 4.26Å; V169-L233 HydrophobicContact CG1-CD1 4.37Å; V169-L233 HydrophobicContact CG2-CB 4.37Å; V169-L233 HydrophobicContact CG2-CD1 4.41Å; V169-F236 HydrophobicContact CB-CB 3.9Å; V169-F236 HydrophobicContact CB-CD1 4.36Å; V169-F236 HydrophobicContact CB-CD2 4.01Å; V169-F236 HydrophobicContact CB-CG 3.83Å; V169-F236 HydrophobicContact CG1-CB 4.21Å; V169-F236 HydrophobicContact CG1-CD1 3.73Å; V169-F236 HydrophobicContact CG1-CD2 3.96Å; V169-F236 HydrophobicContact CG1-CE1 4.09Å; V169-F236 HydrophobicContact CG1-CE2 4.26Å; V169-F236 HydrophobicContact CG1-CG 3.68Å; V169-F236 HydrophobicContact CG1-CZ 4.32Å; V169-F236 WeakPolarHBondContact O-CD2 3.4Å; V169-F236 WeakPolarHBondContact O-CE2 3.27Å
170D91.9Very high74.6Confident69 Ų6986.3 Ų86.337%0.36943%0.427SS..EExtended strand (participates in β ladder)trans-127.2164.1174-76.4-56000109.5K168 I224 T225K168-D170 WeakPolarHBondContact CE-OD2 3.32Å; K168-D170 IonicContact NZ-OD1 3.82Å; K168-D170 PolarHBondContact NZ-OD1 3.34Å; K168-D170 IonicContact NZ-OD2 2.96Å; K168-D170 PolarHBondContact NZ-OD2 2.97Å; D170-I224 CarbonylContact O-C 3.55Å; D170-I224 VanDerWaalsContact O-CA 3.31Å; D170-I224 WeakPolarHBondContact O-CA 3.31Å; D170-T225 PolarHBondContact N-O 2.82Å; D170-T225 PolarHBondContact O-N 3.39Å; D170-T225 VanDerWaalsContact O-O 3.1Å
171F94.2Very high76.7Confident61 Ų6184.3 Ų84.327%0.26841%0.412SS..EExtended strand (participates in β ladder)trans-64.6151.2164.1-66.9-72.5000110.6R177 D222 I224 F236 L240F171-R177 VanDerWaalsContact CD1-CZ 3.44Å; F171-D222 WeakPolarHBondContact CE1-OD2 3.38Å; F171-I224 HydrophobicContact CD1-CG2 3.88Å; F171-I224 HydrophobicContact CE1-CG2 4.31Å; F171-F236 HydrophobicContact CD1-CZ 4.22Å; F171-F236 HydrophobicContact CD2-CZ 4.33Å; F171-F236 HydrophobicContact CE1-CZ 4.08Å; F171-F236 HydrophobicContact CE2-CZ 4.2Å; F171-F236 HydrophobicContact CG-CZ 4.36Å; F171-F236 HydrophobicContact CZ-CZ 4.1Å; F171-L240 HydrophobicContact CE1-CD1 4.13Å; F171-L240 HydrophobicContact CZ-CD1 3.59Å
172C92.4Very high77.9Confident5 Ų583.4 Ų83.43%0.03442%0.415CS..PPolyproline II helixtrans-51.8155.8171.4-63.70000112.4L176 R177 C223C172-L176 HydrophobicContact CB-CB 4.28Å; C172-L176 HydrophobicContact CB-CD2 4.11Å; C172-L176 HydrophobicContact CB-CG 4.25Å; C172-R177 HydrophobicContact CB-CB 4.09Å; C172-C223 HydrophobicContact CB-CB 4.28Å; C172-C223 WeakPolarHBondContact CB-SG 3.41Å; C172-C223 PolarHBondContact N-O 2.94Å; C172-C223 WeakPolarHBondContact SG-CB 3.3Å; C172-C223 PolarHBondContact SG-O 3.27Å; C172-C223 CovalentContact SG-SG 2.03Å; C172-C223 PolarHBondContact SG-SG 3.13Å
173P89.5Confident78.4Confident54 Ų5482.8 Ų82.835%0.35140%0.403SS..PPolyproline II helixtrans-51.5147.6169.6-2431.9000112.2F154 E175 L176 R177F154-P173 HydrophobicContact CB-CG 3.5Å; F154-P173 HydrophobicContact CD1-CG 3.83Å; F154-P173 HydrophobicContact CD2-CG 4.42Å; F154-P173 HydrophobicContact CG-CG 3.66Å; P173-E175 VanDerWaalsContact C-N 3.3Å; P173-E175 PolarHBondContact O-N 3.37Å; P173-E175 VanDerWaalsContact O-N 3.12Å; P173-L176 PolarHBondContact O-N 2.88Å; P173-L176 VanDerWaalsContact O-N 3.07Å; P173-R177 WeakPolarHBondContact O-CB 3.44Å; P173-R177 PolarHBondContact O-N 3.41Å
174F88.5Confident78.6Confident145 Ų14581.2 Ų81.264%0.63640%0.395SS*.Hα-helixtrans-48.1-46.5-170.6177.9-98.5000114.1R177 K178F174-R177 PolarHBondContact O-N 2.89Å; F174-K178 HydrophobicContact CE1-CD 4.39Å; F174-K178 HydrophobicContact CZ-CD 4.47Å; F174-K178 WeakPolarHBondContact O-CB 3.49Å; F174-K178 PolarHBondContact O-N 3.01Å
175E85.4Confident78.4Confident143 Ų14380.8 Ų80.867%0.66840%0.4SS*.Hα-helixtrans-63.3-45.2-177.8-63.5-55.8152.600112.6P173P173-E175 VanDerWaalsContact C-N 3.3Å; P173-E175 PolarHBondContact O-N 3.37Å; P173-E175 VanDerWaalsContact O-N 3.12Å
176L86.5Confident78Confident52 Ų5280.1 Ų80.127%0.27240%0.401SS..Hα-helixtrans-69-43.8176.3-17861.4000110.6V150 F154 C172 P173 K178 S179 Y180V150-L176 HydrophobicContact CG1-CD2 4.33Å; V150-L176 HydrophobicContact CG2-CD2 4.42Å; F154-L176 HydrophobicContact CE1-CD2 3.77Å; F154-L176 HydrophobicContact CE2-CD2 4.41Å; F154-L176 HydrophobicContact CZ-CD2 3.57Å; C172-L176 HydrophobicContact CB-CB 4.28Å; C172-L176 HydrophobicContact CB-CD2 4.11Å; C172-L176 HydrophobicContact CB-CG 4.25Å; P173-L176 PolarHBondContact O-N 2.88Å; P173-L176 VanDerWaalsContact O-N 3.07Å; L176-K178 PolarHBondContact O-N 2.89Å; L176-S179 PolarHBondContact O-N 3.05Å; L176-S179 VanDerWaalsContact O-N 3.11Å; L176-S179 PolarHBondContact O-OG 3.25Å; L176-Y180 HydrophobicContact CD1-CD2 4.49Å; L176-Y180 HydrophobicContact CD1-CE2 3.88Å; L176-Y180 HydrophobicContact CG-CE2 4.16Å; L176-Y180 WeakPolarHBondContact O-CD2 3.29Å
177R89.6Confident77Confident47 Ų4780 Ų8018%0.17740%0.4CS..Hα-helixtrans-60.4-36.1-179.9-163.2-172.8179.91746.7112.6F171 C172 P173 F174 S179 Y180 R181 D222F171-R177 VanDerWaalsContact CD1-CZ 3.44Å; C172-R177 HydrophobicContact CB-CB 4.09Å; P173-R177 WeakPolarHBondContact O-CB 3.44Å; P173-R177 PolarHBondContact O-N 3.41Å; F174-R177 PolarHBondContact O-N 2.89Å; R177-S179 VanDerWaalsContact C-N 3.3Å; R177-S179 PolarHBondContact O-N 3.38Å; R177-Y180 PolarHBondContact O-N 3.16Å; R177-R181 PolarHBondContact O-N 3.33Å; R177-R181 VanDerWaalsContact O-N 3.08Å; R177-D222 WeakPolarHBondContact CG-OD1 3.46Å; R177-D222 IonicContact CZ-OD1 3.41Å; R177-D222 IonicContact CZ-OD2 2.7Å; R177-D222 IonicContact NE-OD1 2.89Å; R177-D222 PolarHBondContact NE-OD1 3.04Å; R177-D222 IonicContact NE-OD2 3.75Å; R177-D222 PolarHBondContact NE-OD2 3.44Å; R177-D222 IonicContact NH2-OD1 3.3Å; R177-D222 IonicContact NH2-OD2 3.88Å; R177-D222 PolarHBondContact NH2-OD2 3.02Å
178K88.2Confident75.2Confident107 Ų10780.5 Ų80.547%0.46542%0.42SS..Hα-helixtrans-62.6-36.9177.6-174.4177.4176.4-172.80111.5F174 L176 Y180 R181 L182F174-K178 HydrophobicContact CE1-CD 4.39Å; F174-K178 HydrophobicContact CZ-CD 4.47Å; F174-K178 WeakPolarHBondContact O-CB 3.49Å; F174-K178 PolarHBondContact O-N 3.01Å; L176-K178 PolarHBondContact O-N 2.89Å; K178-Y180 VanDerWaalsContact C-N 3.27Å; K178-Y180 PolarHBondContact O-N 3.01Å; K178-R181 PolarHBondContact O-N 2.94Å; K178-L182 VanDerWaalsContact O-CG 3.28Å; K178-L182 WeakPolarHBondContact O-CG 3.31Å; K178-L182 PolarHBondContact O-N 3.15Å
179S85.3Confident73Confident60 Ų6082.1 Ų82.142%0.4244%0.441SS..Hα-helixtrans-64.7-32.7177.273.50000112.5L176 R177L176-S179 PolarHBondContact O-N 3.05Å; L176-S179 VanDerWaalsContact O-N 3.11Å; L176-S179 PolarHBondContact O-OG 3.25Å; R177-S179 VanDerWaalsContact C-N 3.3Å; R177-S179 PolarHBondContact O-N 3.38Å
180Y84.3Confident70.4Confident42 Ų4284.3 Ų84.317%0.16546%0.457CS..Hα-helixtrans-77.7-30.8174.9-72.6-87.6000113.7Q148 L176 R177 K178 P198 M199 Y221 C223Q148-Y180 HydrophobicContact CB-CD1 3.95Å; Q148-Y180 HydrophobicContact CB-CE1 3.48Å; Q148-Y180 VanDerWaalsContact CB-CE1 3.48Å; Q148-Y180 HydrophobicContact CG-CE1 3.72Å; L176-Y180 HydrophobicContact CD1-CD2 4.49Å; L176-Y180 HydrophobicContact CD1-CE2 3.88Å; L176-Y180 HydrophobicContact CG-CE2 4.16Å; L176-Y180 WeakPolarHBondContact O-CD2 3.29Å; R177-Y180 PolarHBondContact O-N 3.16Å; K178-Y180 VanDerWaalsContact C-N 3.27Å; K178-Y180 PolarHBondContact O-N 3.01Å; Y180-P198 HydrophobicContact CD1-CB 3.84Å; Y180-P198 HydrophobicContact CE1-CB 4.47Å; Y180-P198 HydrophobicContact CG-CB 4.34Å; Y180-P198 WeakPolarHBondContact O-CG 3.11Å; Y180-M199 HydrophobicContact CD1-CE 4.02Å; Y180-M199 HydrophobicContact CE1-CE 4.01Å; Y180-Y221 WeakPolarHBondContact O-CB 3.42Å; Y180-C223 HydrophobicContact CD1-CB 4.37Å; Y180-C223 HydrophobicContact CD2-CB 3.71Å; Y180-C223 WeakPolarHBondContact CD2-SG 3.12Å; Y180-C223 HydrophobicContact CE2-CB 4.02Å; Y180-C223 HydrophobicContact CG-CB 3.91Å
181R84.9Confident67.9Low128 Ų12886.2 Ų86.248%0.48348%0.476SS..Hα-helixtrans-88.4-7.4-176-76.8-179.6161.4-154.6-16.8115.4R177 K178 N183 Y221 D222R177-R181 PolarHBondContact O-N 3.33Å; R177-R181 VanDerWaalsContact O-N 3.08Å; K178-R181 PolarHBondContact O-N 2.94Å; R181-N183 PolarHBondContact O-N 3.03Å; R181-Y221 WeakPolarHBondContact CG-O 3.35Å; R181-D222 IonicContact CZ-OD2 3.12Å; R181-D222 VanDerWaalsContact NE-CG 3.28Å; R181-D222 IonicContact NE-OD1 3.33Å; R181-D222 PolarHBondContact NE-OD1 3.32Å; R181-D222 IonicContact NE-OD2 2.85Å; R181-D222 PolarHBondContact NE-OD2 2.66Å; R181-D222 IonicContact NH2-OD2 2.69Å; R181-D222 PolarHBondContact NH2-OD2 3.15Å
182L67.3Low65.3Low116 Ų11689.5 Ų89.561%0.60751%0.506SS*.  trans-65.694.9179.1-79.7161.7000109.7K178 D184K178-L182 VanDerWaalsContact O-CG 3.28Å; K178-L182 WeakPolarHBondContact O-CG 3.31Å; K178-L182 PolarHBondContact O-N 3.15Å; L182-D184 PolarHBondContact O-N 3.25Å
183N56.3Low62.8Low102 Ų10292 Ų9255%0.54552%0.524SS..  trans-68.4113.3174.8-90.4-10.9000110.2R181 S185R181-N183 PolarHBondContact O-N 3.03Å; N183-S185 PolarHBondContact O-N 2.66Å
184D48.6Very low60.6Low72 Ų7295 Ų9539%0.38555%0.546SS..  trans-69.617.7-177.1-155.920.5000115L182 T186 L187L182-D184 PolarHBondContact O-N 3.25Å; D184-T186 PolarHBondContact O-N 3.4Å; D184-L187 PolarHBondContact O-N 3.4Å
185S46.1Very low58.6Low99 Ų9993.7 Ų93.769%0.69254%0.54SS*.THydrogen-bonded Turntrans-65.1-5-176.357.50000115N183N183-S185 PolarHBondContact O-N 2.66Å
186T41.6Very low57Low120 Ų12091.9 Ų91.974%0.73654%0.543SS*.THydrogen-bonded Turntrans-110.3-4.7-178.852.50000115.3D184D184-T186 PolarHBondContact O-N 3.4Å
187L41.3Very low55.8Low68 Ų6895.6 Ų95.636%0.35655%0.553SS.*  trans-114.66.6-174.9-82.3146.7000114.9D184 S189 S190 F195D184-L187 PolarHBondContact O-N 3.4Å; L187-S189 PolarHBondContact O-N 3.44Å; L187-S190 PolarHBondContact O-N 3.24Å; L187-F195 HydrophobicContact CB-CD2 4.4Å; L187-F195 HydrophobicContact CD1-CD2 4.11Å; L187-F195 HydrophobicContact CD1-CE2 4.16Å; L187-F195 HydrophobicContact CD1-CG 4.34Å; L187-F195 HydrophobicContact CD1-CZ 4.44Å; L187-F195 HydrophobicContact CD2-CD2 4.21Å; L187-F195 HydrophobicContact CD2-CE2 3.96Å; L187-F195 HydrophobicContact CG-CD2 4.47Å
188S39.8Very low54.8Low118 Ų11895.2 Ų95.283%0.82556%0.557SS**THydrogen-bonded Turntrans-68.66.5178.666.70000115.9
189S39.7Very low54.4Low110 Ų11090.9 Ų90.977%0.76954%0.539SS*.THydrogen-bonded Turntrans-109.6-7.4179.462.50000115.3L187L187-S189 PolarHBondContact O-N 3.44Å
190S37Very low54.3Low53 Ų5393.7 Ų93.737%0.37155%0.545SS..SBendtrans-101.796.5173.2550000110.6L187 S192L187-S190 PolarHBondContact O-N 3.24Å; S190-S192 PolarHBondContact O-N 2.99Å
191S38.9Very low54.5Low109 Ų10991.9 Ų91.976%0.76254%0.539SS*.THydrogen-bonded Turntrans-30.2126.8157.250.40000112.2
192S40.5Very low54.7Low130 Ų13085.9 Ų85.991%0.90952%0.516SS*.THydrogen-bonded Turntrans84.7-5.4165.277.50000120.7S190S190-S192 PolarHBondContact O-N 2.99Å
193S40.3Very low55.2Low57 Ų5785.3 Ų85.340%0.39951%0.51SS..  trans-95.799.4165.961.70000109.4F195S193-F195 PolarHBondContact O-N 3.41Å
194S43Very low55.9Low117 Ų11782.7 Ų82.782%0.81851%0.507SS*.  trans-58.579.5165.350.70000109.8S196S194-S196 VanDerWaalsContact C-N 3.3Å; S194-S196 PolarHBondContact O-N 2.73Å
195F45.2Very low56.9Low117 Ų11780 Ų8051%0.51349%0.493SS..  trans-68.4102.7161.5-85.6-80.3000105.7L187 S193 R197L187-F195 HydrophobicContact CB-CD2 4.4Å; L187-F195 HydrophobicContact CD1-CD2 4.11Å; L187-F195 HydrophobicContact CD1-CE2 4.16Å; L187-F195 HydrophobicContact CD1-CG 4.34Å; L187-F195 HydrophobicContact CD1-CZ 4.44Å; L187-F195 HydrophobicContact CD2-CD2 4.21Å; L187-F195 HydrophobicContact CD2-CE2 3.96Å; L187-F195 HydrophobicContact CG-CD2 4.47Å; S193-F195 PolarHBondContact O-N 3.41Å; F195-R197 PolarHBondContact O-N 2.78Å
196S53.2Low57.9Low105 Ų10576.9 Ų76.973%0.73447%0.471SS*.  trans-60.1123-178.351.40000107.9S194S194-S196 VanDerWaalsContact C-N 3.3Å; S194-S196 PolarHBondContact O-N 2.73Å
197R61.2Low59.2Low130 Ų13073 Ų7349%0.49144%0.444SS..  trans-46.3144159.6-68.3178.4-175.8164.4-0.8108.2F195 M199F195-R197 PolarHBondContact O-N 2.78Å; R197-M199 PolarHBondContact O-N 3.13Å
198P68.2Low60.3Low40 Ų4071.7 Ų71.726%0.2644%0.438SS..SBendtrans-60.5-23-174.224.9-35.4000112.9Y180 Y221Y180-P198 HydrophobicContact CD1-CB 3.84Å; Y180-P198 HydrophobicContact CE1-CB 4.47Å; Y180-P198 HydrophobicContact CG-CB 4.34Å; Y180-P198 WeakPolarHBondContact O-CG 3.11Å; P198-Y221 HydrophobicContact CG-CD1 3.9Å; P198-Y221 HydrophobicContact CG-CD2 4.05Å; P198-Y221 HydrophobicContact CG-CG 3.63Å
199M79.7Confident61.3Low16 Ų1674.5 Ų74.58%0.07944%0.442CS..  trans-151.3156.9165.468.3177.468.700110.6A146 Q148 Y180 R197 L201 Y221 Y252A146-M199 HydrophobicContact CB-SD 3.98Å; Q148-M199 HydrophobicContact CB-CE 3.42Å; Q148-M199 VanDerWaalsContact CB-CE 3.42Å; Q148-M199 HydrophobicContact CG-CE 4.28Å; Q148-M199 VanDerWaalsContact OE1-CE 3.29Å; Y180-M199 HydrophobicContact CD1-CE 4.02Å; Y180-M199 HydrophobicContact CE1-CE 4.01Å; R197-M199 PolarHBondContact O-N 3.13Å; M199-L201 HydrophobicContact CG-CD2 4.27Å; M199-L201 HydrophobicContact SD-CD2 4.01Å; M199-Y221 HydrophobicContact CE-CD1 4.37Å; M199-Y221 HydrophobicContact CG-CD1 3.69Å; M199-Y221 HydrophobicContact CG-CE1 3.64Å; M199-Y221 HydrophobicContact SD-CD1 4.15Å; M199-Y221 HydrophobicContact SD-CE1 4.35Å; M199-Y252 HydrophobicContact SD-CD1 4.34Å; M199-Y252 HydrophobicContact SD-CE1 4.09Å
200E82.5Confident62.6Low118 Ų11877.1 Ų77.155%0.55144%0.442SS*.  trans-92.4134.7163.7-174.6168-157.200109.5E203E200-E203 HydrophobicContact CB-CB 4.33Å; E200-E203 HydrophobicContact CB-CG 4.46Å
201L89.4Confident64.2Low5 Ų576.1 Ų76.13%0.02643%0.433CS..THydrogen-bonded Turntrans-78.8130.2174.8-55.4-168.8000108.6V143 A146 M199 M216 A218 Y221 Y252V143-L201 HydrophobicContact CG2-CD1 4.1Å; A146-L201 HydrophobicContact CB-CD2 3.86Å; M199-L201 HydrophobicContact CG-CD2 4.27Å; M199-L201 HydrophobicContact SD-CD2 4.01Å; L201-M216 HydrophobicContact CD1-CB 4.12Å; L201-A218 HydrophobicContact CD1-CB 4.43Å; L201-Y221 HydrophobicContact CD2-CE1 4.27Å; L201-Y252 HydrophobicContact CB-CD2 4.44Å; L201-Y252 HydrophobicContact CB-CE2 4Å; L201-Y252 HydrophobicContact CD1-CD2 4.39Å; L201-Y252 HydrophobicContact CD2-CD1 3.63Å; L201-Y252 HydrophobicContact CD2-CD2 4.12Å; L201-Y252 HydrophobicContact CD2-CE1 3.63Å; L201-Y252 HydrophobicContact CD2-CE2 4.13Å; L201-Y252 HydrophobicContact CD2-CG 3.88Å
202F88Confident65.9Low2 Ų272.7 Ų72.71%0.00942%0.415CS..THydrogen-bonded Turntrans59.545.2-174.1-54.1-72.8000113.2F13 Y14 D15 P68 L117 G204 N205 F207 M216 Y252F13-F202 HydrophobicContact CB-CZ 4.19Å; F13-F202 HydrophobicContact CD1-CZ 4.02Å; Y14-F202 WeakPolarHBondContact O-CE1 3.26Å; D15-F202 HydrophobicContact CB-CD1 3.95Å; D15-F202 HydrophobicContact CB-CE1 4.44Å; D15-F202 WeakPolarHBondContact OD2-CA 3.24Å; P68-F202 HydrophobicContact CB-CD1 4.21Å; P68-F202 HydrophobicContact CB-CE1 3.99Å; L117-F202 HydrophobicContact CD1-CE2 4.11Å; L117-F202 HydrophobicContact CD1-CZ 4.08Å; L117-F202 HydrophobicContact CD2-CD2 4.1Å; L117-F202 HydrophobicContact CD2-CE1 4.42Å; L117-F202 HydrophobicContact CD2-CE2 3.79Å; L117-F202 HydrophobicContact CD2-CZ 3.96Å; F202-G204 PolarHBondContact O-N 2.99Å; F202-N205 HydrophobicContact CB-CB 4.41Å; F202-N205 VanDerWaalsContact O-CB 3.27Å; F202-N205 WeakPolarHBondContact O-CB 3.33Å; F202-N205 PolarHBondContact O-N 2.85Å; F202-N205 VanDerWaalsContact O-N 3.08Å; F202-N205 PolarHBondContact O-ND2 3.48Å; F202-F207 HydrophobicContact CB-CE1 4.46Å; F202-F207 HydrophobicContact CB-CE2 3.95Å; F202-F207 HydrophobicContact CB-CZ 3.44Å; F202-F207 VanDerWaalsContact CB-CZ 3.44Å; F202-F207 HydrophobicContact CD2-CE2 4.28Å; F202-F207 AromaticContact CD2-CZ 3.84Å; F202-F207 HydrophobicContact CD2-CZ 3.84Å; F202-F207 AromaticContact CG-CZ 3.9Å; F202-F207 HydrophobicContact CG-CZ 3.9Å; F202-M216 HydrophobicContact CE2-SD 3.95Å; F202-Y252 HydrophobicContact CD1-CE2 4.17Å; F202-Y252 HydrophobicContact CD2-CE2 4.19Å; F202-Y252 AromaticContact CE1-CE2 3.94Å; F202-Y252 HydrophobicContact CE1-CE2 3.94Å; F202-Y252 HydrophobicContact CE2-CD2 4.37Å; F202-Y252 AromaticContact CE2-CE2 3.98Å; F202-Y252 HydrophobicContact CE2-CE2 3.98Å; F202-Y252 HydrophobicContact CG-CE2 4.29Å; F202-Y252 HydrophobicContact CZ-CD2 4.23Å; F202-Y252 AromaticContact CZ-CE2 3.85Å; F202-Y252 HydrophobicContact CZ-CE2 3.85Å; F202-Y252 PolarHBondContact N-OH 3.16Å
203E78.1Confident67.8Low103 Ų10366.8 Ų66.848%0.48137%0.373SS..THydrogen-bonded Turntrans-47.2135-176.2-172.1-177.8174.500112.8D15 E200 N205D15-E203 PolarHBondContact OD2-N 3.47Å; E200-E203 HydrophobicContact CB-CB 4.33Å; E200-E203 HydrophobicContact CB-CG 4.46Å; E203-N205 VanDerWaalsContact C-N 3.26Å; E203-N205 PolarHBondContact O-N 2.92Å
204G70.9Confident69.8Low47 Ų4767.4 Ų67.449%0.48537%0.371SS..THydrogen-bonded Turntrans82.7-10.7-179.400000115P72 F202 S206P72-G204 WeakPolarHBondContact CD-O 3.26Å; F202-G204 PolarHBondContact O-N 2.99Å; G204-S206 PolarHBondContact O-N 2.77Å
205N70Confident71.6Confident15 Ų1564.9 Ų64.98%0.0835%0.352CS..  trans-72.6124.8170-73.9-86.7000110.4P69 G71 F202 E203 F207P69-N205 WeakPolarHBondContact CG-OD1 3.1Å; G71-N205 PolarHBondContact O-OD1 3.49Å; F202-N205 HydrophobicContact CB-CB 4.41Å; F202-N205 VanDerWaalsContact O-CB 3.27Å; F202-N205 WeakPolarHBondContact O-CB 3.33Å; F202-N205 PolarHBondContact O-N 2.85Å; F202-N205 VanDerWaalsContact O-N 3.08Å; F202-N205 PolarHBondContact O-ND2 3.48Å; E203-N205 VanDerWaalsContact C-N 3.26Å; E203-N205 PolarHBondContact O-N 2.92Å; N205-F207 HydrophobicContact CB-CD1 4.06Å; N205-F207 HydrophobicContact CB-CE1 3.6Å; N205-F207 HydrophobicContact CB-CZ 3.89Å; N205-F207 PolarHBondContact O-N 3.16Å
206S66.7Low73.6Confident35 Ų3559.8 Ų59.825%0.24533%0.33CS..  trans-79.485.6169.6165.40000109.7S95 G204 N208 N211S95-S206 PolarHBondContact OG-O 2.58Å; G204-S206 PolarHBondContact O-N 2.77Å; S206-N208 PolarHBondContact O-N 3.45Å; S206-N208 PolarHBondContact OG-ND2 3.24Å; S206-N211 PolarHBondContact O-ND2 3.23Å
207F70.6Confident75.2Confident37 Ų3755.5 Ų55.516%0.16230%0.3CS..  trans-67.6114.3168.9-61.4-36000110.3P69 L117 F202 N205 I213 P215P69-F207 HydrophobicContact CG-CE1 4.18Å; L117-F207 HydrophobicContact CD2-CZ 4.42Å; F202-F207 HydrophobicContact CB-CE1 4.46Å; F202-F207 HydrophobicContact CB-CE2 3.95Å; F202-F207 HydrophobicContact CB-CZ 3.44Å; F202-F207 VanDerWaalsContact CB-CZ 3.44Å; F202-F207 HydrophobicContact CD2-CE2 4.28Å; F202-F207 AromaticContact CD2-CZ 3.84Å; F202-F207 HydrophobicContact CD2-CZ 3.84Å; F202-F207 AromaticContact CG-CZ 3.9Å; F202-F207 HydrophobicContact CG-CZ 3.9Å; N205-F207 HydrophobicContact CB-CD1 4.06Å; N205-F207 HydrophobicContact CB-CE1 3.6Å; N205-F207 HydrophobicContact CB-CZ 3.89Å; N205-F207 PolarHBondContact O-N 3.16Å; F207-I213 HydrophobicContact CD1-CB 3.77Å; F207-I213 HydrophobicContact CD1-CG2 3.42Å; F207-I213 VanDerWaalsContact CD1-CG2 3.42Å; F207-I213 HydrophobicContact CE1-CB 4.16Å; F207-I213 HydrophobicContact CE1-CD1 4.46Å; F207-I213 HydrophobicContact CE1-CG2 3.43Å; F207-I213 VanDerWaalsContact CE1-CG2 3.43Å; F207-I213 HydrophobicContact CG-CG2 4.13Å; F207-I213 HydrophobicContact CZ-CG2 4.1Å; F207-P215 HydrophobicContact CB-CG 4.2Å; F207-P215 HydrophobicContact CD2-CB 4.36Å
208N63.9Low76.6Confident42 Ų4249.9 Ų49.923%0.22528%0.281CS..  trans-139.2165.8-178.565.740.8000110.5S206 Q210 N211 G212S206-N208 PolarHBondContact O-N 3.45Å; S206-N208 PolarHBondContact OG-ND2 3.24Å; N208-Q210 PolarHBondContact O-N 2.99Å; N208-Q210 VanDerWaalsContact O-N 3.09Å; N208-Q210 WeakPolarHBondContact OD1-CA 3.48Å; N208-Q210 VanDerWaalsContact OD1-CB 3.29Å; N208-Q210 WeakPolarHBondContact OD1-CB 3.07Å; N208-Q210 PolarHBondContact OD1-N 2.97Å; N208-N211 PolarHBondContact N-OD1 3.35Å; N208-N211 PolarHBondContact O-N 3.13Å; N208-N211 PolarHBondContact O-OD1 3.14Å; N208-N211 PolarHBondContact OD1-N 3.32Å; N208-G212 PolarHBondContact O-N 2.95Å
209L61.1Low77.7Confident176 Ų17651.5 Ų51.592%0.92129%0.293SS*.THydrogen-bonded Turntrans-61.6-19179.8-72.7165.7000113.2
210Q65.3Low78.3Confident165 Ų16552.5 Ų52.577%0.77130%0.304SS*.THydrogen-bonded Turntrans-79.7-42-177.7-62.4-179.4-26.700112.6N208 G212N208-Q210 PolarHBondContact O-N 2.99Å; N208-Q210 VanDerWaalsContact O-N 3.09Å; N208-Q210 WeakPolarHBondContact OD1-CA 3.48Å; N208-Q210 VanDerWaalsContact OD1-CB 3.29Å; N208-Q210 WeakPolarHBondContact OD1-CB 3.07Å; N208-Q210 PolarHBondContact OD1-N 2.97Å; Q210-G212 VanDerWaalsContact C-N 3.28Å
211N71.4Confident78.8Confident32 Ų3247.9 Ų47.917%0.17128%0.282CS..THydrogen-bonded Turntrans-79.3-15172.463.923.5000112.6S95 I118 S206 N208 I213S95-N211 PolarHBondContact O-ND2 3.05Å; I118-N211 VanDerWaalsContact CD1-O 3.24Å; I118-N211 WeakPolarHBondContact CD1-O 3.26Å; S206-N211 PolarHBondContact O-ND2 3.23Å; N208-N211 PolarHBondContact N-OD1 3.35Å; N208-N211 PolarHBondContact O-N 3.13Å; N208-N211 PolarHBondContact O-OD1 3.14Å; N208-N211 PolarHBondContact OD1-N 3.32Å; N211-I213 PolarHBondContact O-N 3.32Å; N211-I213 PolarHBondContact OD1-N 3.28Å; N211-I213 VanDerWaalsContact OD1-N 3.17Å
212G75.2Confident79.1Confident37 Ų3748 Ų4838%0.38128%0.282SS..THydrogen-bonded Turntrans73.612.8174.400000114N208 Q210N208-G212 PolarHBondContact O-N 2.95Å; Q210-G212 VanDerWaalsContact C-N 3.28Å
213I80.3Confident79.4Confident6 Ų647.9 Ų47.93%0.03128%0.282CS..PPolyproline II helixtrans-92128.9175.3-57-179.6000108.9P69 G96 L117 I118 F207 N211P69-I213 HydrophobicContact CB-CD1 4.05Å; P69-I213 HydrophobicContact CG-CD1 4.37Å; G96-I213 WeakPolarHBondContact O-CD1 3.44Å; L117-I213 HydrophobicContact CD2-CG2 3.88Å; L117-I213 HydrophobicContact CG-CG2 4.43Å; I118-I213 HydrophobicContact CB-CG1 4.29Å; I118-I213 HydrophobicContact CD1-CG1 4.26Å; I118-I213 HydrophobicContact CG1-CG1 4.46Å; F207-I213 HydrophobicContact CD1-CB 3.77Å; F207-I213 HydrophobicContact CD1-CG2 3.42Å; F207-I213 VanDerWaalsContact CD1-CG2 3.42Å; F207-I213 HydrophobicContact CE1-CB 4.16Å; F207-I213 HydrophobicContact CE1-CD1 4.46Å; F207-I213 HydrophobicContact CE1-CG2 3.43Å; F207-I213 VanDerWaalsContact CE1-CG2 3.43Å; F207-I213 HydrophobicContact CG-CG2 4.13Å; F207-I213 HydrophobicContact CZ-CG2 4.1Å; N211-I213 PolarHBondContact O-N 3.32Å; N211-I213 PolarHBondContact OD1-N 3.28Å; N211-I213 VanDerWaalsContact OD1-N 3.17Å
214L81.8Confident80.2Confident70 Ų7043 Ų4337%0.36626%0.259SS..PPolyproline II helixtrans-87.2141.2178.3-61.2176.7000110.7Q121 V125Q121-L214 PolarHBondContact NE2-O 2.85Å; V125-L214 HydrophobicContact CG2-CD1 3.8Å
215P81.2Confident81.3Confident64 Ų6441.3 Ų41.342%0.41624%0.24SC..PPolyproline II helixtrans-58.7142.4171.9-2232.1000112L140 F207L140-P215 HydrophobicContact CD2-CB 3.84Å; L140-P215 HydrophobicContact CD2-CG 4.48Å; L140-P215 WeakPolarHBondContact CD2-O 3.39Å; F207-P215 HydrophobicContact CB-CG 4.2Å; F207-P215 HydrophobicContact CD2-CB 4.36Å
216M85.9Confident82.2Confident10 Ų1042.8 Ų42.85%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-116.7154.4-177.8-66.7-177.357.800111.8F13 L117 F120 Q121 L141 V143 L201 F202F13-M216 HydrophobicContact CD1-CE 4.29Å; F13-M216 HydrophobicContact CE1-CE 3.87Å; F13-M216 HydrophobicContact CZ-CE 4.21Å; L117-M216 HydrophobicContact CD1-SD 3.75Å; F120-M216 HydrophobicContact CE1-CE 4.41Å; Q121-M216 PolarHBondContact NE2-SD 3.1Å; Q121-M216 VanDerWaalsContact NE2-SD 3.37Å; L141-M216 HydrophobicContact CB-CG 4.06Å; L141-M216 WeakPolarHBondContact O-CA 3.4Å; V143-M216 HydrophobicContact CG2-CE 3.46Å; V143-M216 VanDerWaalsContact CG2-CE 3.46Å; L201-M216 HydrophobicContact CD1-CB 4.12Å; F202-M216 HydrophobicContact CE2-SD 3.95Å
217T87.9Confident83.3Confident16 Ų1642.4 Ų42.410%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-134169.3177.961.60000110.3L140 L141 T142 V143L140-T217 HydrophobicContact CB-CG2 4.21Å; L140-T217 HydrophobicContact CD1-CG2 3.94Å; L141-T217 PolarHBondContact O-N 3.13Å; T142-T217 CarbonylContact C-O 3.37Å; T142-T217 WeakPolarHBondContact CA-O 3.49Å; T142-T217 PolarHBondContact OG1-OG1 2.78Å; V143-T217 PolarHBondContact N-O 3.35Å
218A91Very high84.4Confident12 Ų1240.9 Ų40.910%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-120.6146.5170.100000111.8V143 A146 L201 A220 Y221V143-A218 HydrophobicContact CB-CB 4.31Å; V143-A218 CarbonylContact O-C 3.5Å; V143-A218 VanDerWaalsContact O-CA 3.22Å; V143-A218 WeakPolarHBondContact O-CA 3.48Å; A146-A218 HydrophobicContact CB-CB 3.62Å; L201-A218 HydrophobicContact CD1-CB 4.43Å; A218-A220 VanDerWaalsContact C-N 3.29Å; A218-A220 WeakPolarHBondContact CB-O 3.39Å; A218-Y221 HydrophobicContact CB-CD1 4.36Å; A218-Y221 HydrophobicContact CB-CD2 4.46Å; A218-Y221 HydrophobicContact CB-CE1 3.88Å; A218-Y221 HydrophobicContact CB-CE2 3.97Å; A218-Y221 PolarHBondContact N-OH 3.48Å; A218-Y221 VanDerWaalsContact N-OH 3.11Å; A218-Y221 VanDerWaalsContact O-CE2 3.28Å; A218-Y221 WeakPolarHBondContact O-CE2 3.46Å
219S90.7Very high85.9Confident73 Ų7339 Ų3951%0.5124%0.237SC..SBendtrans-71.8-25.5174.9-69.40000112.5T142 V143T142-S219 WeakPolarHBondContact CG2-OG 3.43Å; V143-S219 PolarHBondContact O-N 3.43Å
220A92.4Very high87.7Confident37 Ų3730.7 Ų30.731%0.30619%0.193SC..  trans-146.8147.8177.200000110.3D144 L145 A146 A218D144-A220 PolarHBondContact O-N 3.35Å; L145-A220 HydrophobicContact CD1-CB 3.96Å; A146-A220 PolarHBondContact N-O 3.3Å; A218-A220 VanDerWaalsContact C-N 3.29Å; A218-A220 WeakPolarHBondContact CB-O 3.39Å
221Y93.5Very high89.1Confident22 Ų2222.8 Ų22.89%0.08616%0.157CC..EExtended strand (participates in β ladder)trans-126.6139.5176.8-63.7-94.2000109A146 Y180 R181 P198 M199 L201 A218A146-Y221 HydrophobicContact CB-CD1 3.76Å; A146-Y221 HydrophobicContact CB-CE1 3.98Å; A146-Y221 WeakPolarHBondContact O-CA 3.5Å; Y180-Y221 WeakPolarHBondContact O-CB 3.42Å; R181-Y221 WeakPolarHBondContact CG-O 3.35Å; P198-Y221 HydrophobicContact CG-CD1 3.9Å; P198-Y221 HydrophobicContact CG-CD2 4.05Å; P198-Y221 HydrophobicContact CG-CG 3.63Å; M199-Y221 HydrophobicContact CE-CD1 4.37Å; M199-Y221 HydrophobicContact CG-CD1 3.69Å; M199-Y221 HydrophobicContact CG-CE1 3.64Å; M199-Y221 HydrophobicContact SD-CD1 4.15Å; M199-Y221 HydrophobicContact SD-CE1 4.35Å; L201-Y221 HydrophobicContact CD2-CE1 4.27Å; A218-Y221 HydrophobicContact CB-CD1 4.36Å; A218-Y221 HydrophobicContact CB-CD2 4.46Å; A218-Y221 HydrophobicContact CB-CE1 3.88Å; A218-Y221 HydrophobicContact CB-CE2 3.97Å; A218-Y221 PolarHBondContact N-OH 3.48Å; A218-Y221 VanDerWaalsContact N-OH 3.11Å; A218-Y221 VanDerWaalsContact O-CE2 3.28Å; A218-Y221 WeakPolarHBondContact O-CE2 3.46Å
222D94.6Very high90.3Very high6 Ų621.4 Ų21.43%0.03215%0.149CC..EExtended strand (participates in β ladder)trans-148.9176.7173.6-147.7-22.9000109.1L145 A146 L147 Q148 F171 R177 R181L145-D222 HydrophobicContact CD1-CB 4.45Å; A146-D222 PolarHBondContact O-N 3.33Å; L147-D222 WeakPolarHBondContact CA-O 3.48Å; L147-D222 HydrophobicContact CD2-CB 3.69Å; Q148-D222 PolarHBondContact N-O 3.04Å; F171-D222 WeakPolarHBondContact CE1-OD2 3.38Å; R177-D222 WeakPolarHBondContact CG-OD1 3.46Å; R177-D222 IonicContact CZ-OD1 3.41Å; R177-D222 IonicContact CZ-OD2 2.7Å; R177-D222 IonicContact NE-OD1 2.89Å; R177-D222 PolarHBondContact NE-OD1 3.04Å; R177-D222 IonicContact NE-OD2 3.75Å; R177-D222 PolarHBondContact NE-OD2 3.44Å; R177-D222 IonicContact NH2-OD1 3.3Å; R177-D222 IonicContact NH2-OD2 3.88Å; R177-D222 PolarHBondContact NH2-OD2 3.02Å; R181-D222 IonicContact CZ-OD2 3.12Å; R181-D222 VanDerWaalsContact NE-CG 3.28Å; R181-D222 IonicContact NE-OD1 3.33Å; R181-D222 PolarHBondContact NE-OD1 3.32Å; R181-D222 IonicContact NE-OD2 2.85Å; R181-D222 PolarHBondContact NE-OD2 2.66Å; R181-D222 IonicContact NH2-OD2 2.69Å; R181-D222 PolarHBondContact NH2-OD2 3.15Å
223C94.4Very high91.3Very high0 Ų019.7 Ų19.70%013%0.131CC..EExtended strand (participates in β ladder)trans-139.6149.1172.275.40000112.9Q148 V150 C172 Y180Q148-C223 HydrophobicContact CB-CB 3.71Å; Q148-C223 CarbonylContact O-C 3.46Å; Q148-C223 VanDerWaalsContact O-CA 3.27Å; Q148-C223 WeakPolarHBondContact O-CA 3.28Å; Q148-C223 WeakPolarHBondContact O-CB 3.32Å; V150-C223 HydrophobicContact CG2-CB 4.22Å; C172-C223 HydrophobicContact CB-CB 4.28Å; C172-C223 WeakPolarHBondContact CB-SG 3.41Å; C172-C223 PolarHBondContact N-O 2.94Å; C172-C223 WeakPolarHBondContact SG-CB 3.3Å; C172-C223 PolarHBondContact SG-O 3.27Å; C172-C223 CovalentContact SG-SG 2.03Å; C172-C223 PolarHBondContact SG-SG 3.13Å; Y180-C223 HydrophobicContact CD1-CB 4.37Å; Y180-C223 HydrophobicContact CD2-CB 3.71Å; Y180-C223 WeakPolarHBondContact CD2-SG 3.12Å; Y180-C223 HydrophobicContact CE2-CB 4.02Å; Y180-C223 HydrophobicContact CG-CB 3.91Å
224I95.4Very high92.1Very high0 Ų019.4 Ų19.40%013%0.129CC..EExtended strand (participates in β ladder)trans-130.5154.1-176.860.7168.3000110.6L147 Q148 L149 V150 V169 D170 F171 L228 L233 F236L147-I224 HydrophobicContact CD1-CD1 4.24Å; L147-I224 HydrophobicContact CD2-CG2 4.38Å; Q148-I224 PolarHBondContact O-N 2.89Å; L149-I224 HydrophobicContact CD1-CD1 3.99Å; L149-I224 HydrophobicContact CD1-CG1 4.07Å; L149-I224 HydrophobicContact CG-CD1 4.06Å; L149-I224 HydrophobicContact CG-CG1 4.06Å; V150-I224 PolarHBondContact N-O 3.02Å; V169-I224 HydrophobicContact CG1-CB 4.12Å; V169-I224 HydrophobicContact CG1-CD1 4.03Å; D170-I224 CarbonylContact O-C 3.55Å; D170-I224 VanDerWaalsContact O-CA 3.31Å; D170-I224 WeakPolarHBondContact O-CA 3.31Å; F171-I224 HydrophobicContact CD1-CG2 3.88Å; F171-I224 HydrophobicContact CE1-CG2 4.31Å; I224-L228 HydrophobicContact CD1-CD2 4.19Å; I224-L228 HydrophobicContact CG1-CD2 4.44Å; I224-L233 HydrophobicContact CD1-CD1 3.63Å; I224-F236 HydrophobicContact CB-CE1 4.5Å; I224-F236 HydrophobicContact CG2-CE1 3.62Å; I224-F236 HydrophobicContact CG2-CZ 3.78Å
225T93.5Very high92.7Very high13 Ų1316 Ų168%0.0811%0.112CC..EExtended strand (participates in β ladder)trans-149.5177.1-177-171.50000109.7V150 F154 V169 D170V150-T225 WeakPolarHBondContact O-CA 3.25Å; V150-T225 WeakPolarHBondContact O-CB 3.19Å; V150-T225 PolarHBondContact O-OG1 3.01Å; F154-T225 HydrophobicContact CD2-CG2 3.83Å; F154-T225 VanDerWaalsContact CD2-OG1 3.28Å; F154-T225 WeakPolarHBondContact CD2-OG1 3.29Å; F154-T225 HydrophobicContact CE2-CG2 4.27Å; F154-T225 WeakPolarHBondContact CE2-OG1 3.36Å; V169-T225 WeakPolarHBondContact CA-O 3.44Å; D170-T225 PolarHBondContact N-O 2.82Å; D170-T225 PolarHBondContact O-N 3.39Å; D170-T225 VanDerWaalsContact O-O 3.1Å
226G90.1Very high93.4Very high46 Ų4613.9 Ų13.947%0.47410%0.096SC..EExtended strand (participates in β ladder)trans111.9-148.617700000111.5K168 L228K168-G226 WeakPolarHBondContact O-CA 3.22Å; G226-L228 PolarHBondContact O-N 3.48Å
227D90.1Very high93.9Very high27 Ų2713.4 Ų13.414%0.1449%0.094CC..  trans-78.789.5177.5-161.5-18.2000110.4R167 K168 V169 E229 H232R167-D227 HydrophobicContact CB-CB 4.15Å; R167-D227 WeakPolarHBondContact CB-OD2 3.14Å; R167-D227 WeakPolarHBondContact CD-OD2 3.27Å; R167-D227 WeakPolarHBondContact CG-OD2 3.42Å; K168-D227 PolarHBondContact O-N 3.12Å; V169-D227 WeakPolarHBondContact CG2-O 3.43Å; D227-E229 PolarHBondContact O-N 3.33Å; D227-H232 WeakPolarHBondContact O-CB 3.28Å; D227-H232 IonicContact OD2-CD2 2.84Å; D227-H232 IonicContact OD2-NE2 3.21Å
228L93.9Very high94.2Very high5 Ų513.5 Ų13.53%0.0269%0.094CC..  trans-82.250.1-177.1-63.1172.1000111.6L149 V169 I224 G226 L233 I259 I260L149-L228 HydrophobicContact CB-CD1 4Å; L149-L228 HydrophobicContact CD2-CD1 4.37Å; L149-L228 HydrophobicContact CD2-CD2 4.46Å; L149-L228 HydrophobicContact CG-CD1 4.26Å; L149-L228 HydrophobicContact CG-CD2 4.36Å; V169-L228 HydrophobicContact CG1-CD2 4.14Å; V169-L228 HydrophobicContact CG2-CD2 4.07Å; I224-L228 HydrophobicContact CD1-CD2 4.19Å; I224-L228 HydrophobicContact CG1-CD2 4.44Å; G226-L228 PolarHBondContact O-N 3.48Å; L228-L233 HydrophobicContact CD2-CD1 4.29Å; L228-I259 CarbonylContact O-C 3.56Å; L228-I259 WeakPolarHBondContact O-CA 3.41Å; L228-I259 VanDerWaalsContact O-CG2 3.24Å; L228-I259 WeakPolarHBondContact O-CG2 3.41Å; L228-I260 PolarHBondContact O-N 2.97Å
229E95Very high94.3Very high2 Ų216.5 Ų16.51%0.00911%0.105CC..  trans-88.7146.8167-173.7-176.6156.700110.4D227 I231 H232 L233 I260 H261 G262 H263D227-E229 PolarHBondContact O-N 3.33Å; E229-I231 HydrophobicContact CB-CG1 4.39Å; E229-I231 HydrophobicContact CG-CG1 4.01Å; E229-I231 PolarHBondContact O-N 2.69Å; E229-I231 VanDerWaalsContact O-N 3.1Å; E229-I231 WeakPolarHBondContact OE1-CD1 3.46Å; E229-I231 WeakPolarHBondContact OE1-CG1 3.34Å; E229-H232 PolarHBondContact O-N 2.76Å; E229-L233 VanDerWaalsContact O-CB 3.26Å; E229-L233 WeakPolarHBondContact O-CB 2.99Å; E229-L233 PolarHBondContact O-N 2.74Å; E229-I260 HydrophobicContact CB-CG1 4.12Å; E229-H261 WeakPolarHBondContact CG-O 3.24Å; E229-G262 VanDerWaalsContact CD-CA 3.47Å; E229-G262 WeakPolarHBondContact OE2-CA 3.39Å; E229-H263 VanDerWaalsContact CD-ND1 3.35Å; E229-H263 WeakPolarHBondContact OE1-CA 3.5Å; E229-H263 WeakPolarHBondContact OE1-CB 3.41Å; E229-H263 IonicContact OE1-CG 3.52Å; E229-H263 PolarHBondContact OE1-N 3.34Å; E229-H263 IonicContact OE1-ND1 3.5Å; E229-H263 PolarHBondContact OE1-ND1 3.3Å; E229-H263 IonicContact OE2-CE1 3.47Å; E229-H263 IonicContact OE2-CG 3.89Å; E229-H263 PolarHBondContact OE2-N 3.1Å; E229-H263 VanDerWaalsContact OE2-N 3.16Å; E229-H263 IonicContact OE2-ND1 3.95Å; E229-H263 PolarHBondContact OE2-ND1 2.89Å
230P97.7Very high94.5Very high1 Ų114.4 Ų14.41%0.0069%0.088CC..Hα-helixtrans-43.5-43.8173.6-34.237.4000115.1R31 N34 L38 H232 L233 A234 I259 I260 W264R31-P230 WeakPolarHBondContact O-CG 3.39Å; N34-P230 HydrophobicContact CB-CB 4.23Å; N34-P230 HydrophobicContact CB-CG 4.13Å; L38-P230 HydrophobicContact CD1-CB 4.19Å; L38-P230 WeakPolarHBondContact CD1-O 3.39Å; P230-H232 VanDerWaalsContact C-N 3.29Å; P230-H232 PolarHBondContact O-N 3.48Å; P230-L233 PolarHBondContact O-N 3.21Å; P230-A234 VanDerWaalsContact O-CB 3.26Å; P230-A234 WeakPolarHBondContact O-CB 3.25Å; P230-A234 PolarHBondContact O-N 3.05Å; P230-I259 HydrophobicContact CG-CG2 4.23Å; P230-I260 WeakPolarHBondContact CD-O 3.34Å; P230-W264 HydrophobicContact CB-CE3 4.17Å; P230-W264 HydrophobicContact CB-CZ3 4.38Å
231I96Very high94.5Very high0 Ų013.4 Ų13.40%08%0.078CC..Hα-helixtrans-66.4-27.9-17772176.7000113.6L38 P46 F48 A49 E229 P235 H263 W264L38-I231 HydrophobicContact CD1-CB 4.44Å; L38-I231 HydrophobicContact CD1-CG2 4.17Å; P46-I231 HydrophobicContact CG-CG2 4.39Å; F48-I231 HydrophobicContact CE2-CD1 3.64Å; F48-I231 HydrophobicContact CZ-CD1 3.76Å; A49-I231 HydrophobicContact CB-CB 3.96Å; A49-I231 HydrophobicContact CB-CD1 3.95Å; A49-I231 HydrophobicContact CB-CG1 3.86Å; A49-I231 WeakPolarHBondContact CB-O 3.45Å; E229-I231 HydrophobicContact CB-CG1 4.39Å; E229-I231 HydrophobicContact CG-CG1 4.01Å; E229-I231 PolarHBondContact O-N 2.69Å; E229-I231 VanDerWaalsContact O-N 3.1Å; E229-I231 WeakPolarHBondContact OE1-CD1 3.46Å; E229-I231 WeakPolarHBondContact OE1-CG1 3.34Å; I231-P235 WeakPolarHBondContact O-CD 3.41Å; I231-P235 VanDerWaalsContact O-CG 3.26Å; I231-P235 WeakPolarHBondContact O-CG 3.45Å; I231-H263 HydrophobicContact CD1-CB 4.22Å; I231-H263 WeakPolarHBondContact CD1-ND1 3.33Å; I231-W264 HydrophobicContact CG2-CD2 4.08Å; I231-W264 HydrophobicContact CG2-CE3 4.47Å; I231-W264 HydrophobicContact CG2-CZ2 4.06Å
232H94.9Very high94.3Very high3 Ų317.5 Ų17.51%0.01410%0.098CC..Hα-helixtrans-96.7-32.7178.8-63-48.6000111.7H51 R167 V169 D227 E229 P230 P235H51-H232 AromaticContact CD2-ND1 3.86Å; H51-H232 AromaticContact NE2-CE1 3.57Å; H51-H232 AromaticContact NE2-ND1 3.16Å; H51-H232 PolarHBondContact NE2-ND1 2.75Å; H51-H232 VanDerWaalsContact NE2-ND1 3.16Å; R167-H232 PolarHBondContact O-CE1 3.16Å; R167-H232 PolarHBondContact O-ND1 3.18Å; V169-H232 HydrophobicContact CG2-CB 4.26Å; D227-H232 WeakPolarHBondContact O-CB 3.28Å; D227-H232 IonicContact OD2-CD2 2.84Å; D227-H232 IonicContact OD2-NE2 3.21Å; E229-H232 PolarHBondContact O-N 2.76Å; P230-H232 VanDerWaalsContact C-N 3.29Å; P230-H232 PolarHBondContact O-N 3.48Å; H232-P235 WeakPolarHBondContact O-CD 2.99Å; H232-P235 WeakPolarHBondContact O-CG 3.15Å
233L96.6Very high94.1Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-70.6-46.3178.6-179.159.5000112.1T35 L149 V169 I224 L228 E229 P230 F236 L237 L253 I259T35-L233 HydrophobicContact CG2-CD2 4.02Å; T35-L233 HydrophobicContact CG2-CG 4.15Å; L149-L233 HydrophobicContact CD2-CD2 4.46Å; V169-L233 HydrophobicContact CG1-CD1 4.37Å; V169-L233 HydrophobicContact CG2-CB 4.37Å; V169-L233 HydrophobicContact CG2-CD1 4.41Å; I224-L233 HydrophobicContact CD1-CD1 3.63Å; L228-L233 HydrophobicContact CD2-CD1 4.29Å; E229-L233 VanDerWaalsContact O-CB 3.26Å; E229-L233 WeakPolarHBondContact O-CB 2.99Å; E229-L233 PolarHBondContact O-N 2.74Å; P230-L233 PolarHBondContact O-N 3.21Å; L233-F236 PolarHBondContact O-N 3.11Å; L233-L237 HydrophobicContact CD1-CD1 4.07Å; L233-L237 HydrophobicContact CD1-CD2 4.24Å; L233-L237 HydrophobicContact CD1-CG 3.93Å; L233-L237 HydrophobicContact CG-CD1 3.9Å; L233-L237 HydrophobicContact CG-CG 4.18Å; L233-L237 VanDerWaalsContact O-CG 3.32Å; L233-L237 WeakPolarHBondContact O-CG 3.41Å; L233-L237 PolarHBondContact O-N 2.97Å; L233-L253 HydrophobicContact CD2-CD1 4.47Å; L233-I259 HydrophobicContact CD2-CD1 3.79Å; L233-I259 HydrophobicContact CD2-CG1 4Å
234A96.6Very high94Very high0 Ų024.9 Ų24.90%014%0.141CC..Hα-helixtrans-56.8-52.1-178.700000113.9T35 L38 L39 P230 F236 L237 I238T35-A234 HydrophobicContact CG2-CB 4.42Å; L38-A234 HydrophobicContact CB-CB 3.43Å; L38-A234 VanDerWaalsContact CB-CB 3.43Å; L38-A234 HydrophobicContact CD1-CB 3.94Å; L38-A234 HydrophobicContact CG-CB 4.36Å; L39-A234 HydrophobicContact CD2-CB 4.21Å; L39-A234 HydrophobicContact CG-CB 4.47Å; P230-A234 VanDerWaalsContact O-CB 3.26Å; P230-A234 WeakPolarHBondContact O-CB 3.25Å; P230-A234 PolarHBondContact O-N 3.05Å; A234-F236 VanDerWaalsContact C-N 3.31Å; A234-F236 PolarHBondContact O-N 2.81Å; A234-L237 PolarHBondContact O-N 3.08Å; A234-I238 VanDerWaalsContact O-CG1 3.31Å; A234-I238 WeakPolarHBondContact O-CG1 3.34Å; A234-I238 PolarHBondContact O-N 3.47Å
235P95Very high93.8Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-62.8-36.8179.123.6-32.6000112.5I45 I53 V55 I231 H232 I238 Q239I45-P235 HydrophobicContact CD1-CB 4.13Å; I45-P235 HydrophobicContact CD1-CG 4.44Å; I45-P235 HydrophobicContact CG2-CG 4.35Å; I53-P235 HydrophobicContact CB-CB 4.49Å; I53-P235 HydrophobicContact CD1-CB 4.13Å; I53-P235 HydrophobicContact CG2-CB 4.41Å; V55-P235 HydrophobicContact CG2-CB 3.89Å; I231-P235 WeakPolarHBondContact O-CD 3.41Å; I231-P235 VanDerWaalsContact O-CG 3.26Å; I231-P235 WeakPolarHBondContact O-CG 3.45Å; H232-P235 WeakPolarHBondContact O-CD 2.99Å; H232-P235 WeakPolarHBondContact O-CG 3.15Å; P235-I238 PolarHBondContact O-N 2.71Å; P235-Q239 WeakPolarHBondContact O-CB 3.22Å; P235-Q239 PolarHBondContact O-N 3.41Å
236F95.7Very high93.5Very high19 Ų1942.1 Ų42.18%0.08321%0.214CC..Hα-helixtrans-60.5-47173.9176.1-86.1000111.7V169 F171 I224 L233 A234 I238 Q239 L240V169-F236 HydrophobicContact CB-CB 3.9Å; V169-F236 HydrophobicContact CB-CD1 4.36Å; V169-F236 HydrophobicContact CB-CD2 4.01Å; V169-F236 HydrophobicContact CB-CG 3.83Å; V169-F236 HydrophobicContact CG1-CB 4.21Å; V169-F236 HydrophobicContact CG1-CD1 3.73Å; V169-F236 HydrophobicContact CG1-CD2 3.96Å; V169-F236 HydrophobicContact CG1-CE1 4.09Å; V169-F236 HydrophobicContact CG1-CE2 4.26Å; V169-F236 HydrophobicContact CG1-CG 3.68Å; V169-F236 HydrophobicContact CG1-CZ 4.32Å; V169-F236 WeakPolarHBondContact O-CD2 3.4Å; V169-F236 WeakPolarHBondContact O-CE2 3.27Å; F171-F236 HydrophobicContact CD1-CZ 4.22Å; F171-F236 HydrophobicContact CD2-CZ 4.33Å; F171-F236 HydrophobicContact CE1-CZ 4.08Å; F171-F236 HydrophobicContact CE2-CZ 4.2Å; F171-F236 HydrophobicContact CG-CZ 4.36Å; F171-F236 HydrophobicContact CZ-CZ 4.1Å; I224-F236 HydrophobicContact CB-CE1 4.5Å; I224-F236 HydrophobicContact CG2-CE1 3.62Å; I224-F236 HydrophobicContact CG2-CZ 3.78Å; L233-F236 PolarHBondContact O-N 3.11Å; A234-F236 VanDerWaalsContact C-N 3.31Å; A234-F236 PolarHBondContact O-N 2.81Å; F236-I238 PolarHBondContact O-N 2.9Å; F236-Q239 PolarHBondContact O-N 3.32Å; F236-L240 HydrophobicContact CE1-CD2 4.13Å; F236-L240 VanDerWaalsContact O-CB 3.31Å; F236-L240 WeakPolarHBondContact O-CB 3.33Å; F236-L240 PolarHBondContact O-N 3.01Å
237L96.8Very high93.5Very high0 Ų045.1 Ų45.10%023%0.226CC..Hα-helixtrans-63.9-40.3178.7-68.8-179.3000112.1T35 L39 L147 L233 A234 L240 I241 L251 L253T35-L237 HydrophobicContact CG2-CD1 4.23Å; L39-L237 HydrophobicContact CD1-CD1 4.42Å; L39-L237 HydrophobicContact CD2-CB 4.06Å; L147-L237 HydrophobicContact CD1-CD2 3.56Å; L233-L237 HydrophobicContact CD1-CD1 4.07Å; L233-L237 HydrophobicContact CD1-CD2 4.24Å; L233-L237 HydrophobicContact CD1-CG 3.93Å; L233-L237 HydrophobicContact CG-CD1 3.9Å; L233-L237 HydrophobicContact CG-CG 4.18Å; L233-L237 VanDerWaalsContact O-CG 3.32Å; L233-L237 WeakPolarHBondContact O-CG 3.41Å; L233-L237 PolarHBondContact O-N 2.97Å; A234-L237 PolarHBondContact O-N 3.08Å; L237-L240 HydrophobicContact CD2-CD2 4.44Å; L237-L240 WeakPolarHBondContact O-CB 3.09Å; L237-L240 PolarHBondContact O-N 2.75Å; L237-I241 WeakPolarHBondContact O-CD1 3.15Å; L237-I241 VanDerWaalsContact O-CG1 3.24Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 3.29Å; L237-L251 HydrophobicContact CD1-CD2 4.14Å; L237-L251 HydrophobicContact CD2-CD2 4.06Å; L237-L253 HydrophobicContact CD1-CD1 4.47Å; L237-L253 HydrophobicContact CD2-CD2 4.5Å
238I94.8Very high93.7Very high18 Ų1844.3 Ų44.39%0.09222%0.221CC..Hα-helixtrans-60.6-49.8175.7-64.2163.1000110L39 P42 I45 V55 L58 A234 P235 F236 L240 I241 Q242L39-I238 HydrophobicContact CD2-CD1 4.23Å; L39-I238 HydrophobicContact CD2-CG1 3.64Å; P42-I238 HydrophobicContact CB-CD1 4.02Å; P42-I238 HydrophobicContact CG-CD1 3.73Å; I45-I238 HydrophobicContact CD1-CD1 4.24Å; V55-I238 HydrophobicContact CB-CD1 4.3Å; V55-I238 HydrophobicContact CB-CG2 4.12Å; V55-I238 HydrophobicContact CG1-CB 3.96Å; V55-I238 HydrophobicContact CG1-CG2 3.46Å; V55-I238 VanDerWaalsContact CG1-CG2 3.46Å; V55-I238 HydrophobicContact CG2-CD1 4.4Å; L58-I238 HydrophobicContact CD1-CG2 3.75Å; A234-I238 VanDerWaalsContact O-CG1 3.31Å; A234-I238 WeakPolarHBondContact O-CG1 3.34Å; A234-I238 PolarHBondContact O-N 3.47Å; P235-I238 PolarHBondContact O-N 2.71Å; F236-I238 PolarHBondContact O-N 2.9Å; I238-L240 VanDerWaalsContact C-N 3.32Å; I238-L240 PolarHBondContact O-N 2.97Å; I238-I241 PolarHBondContact O-N 3.23Å; I238-Q242 HydrophobicContact CG2-CG 4.4Å; I238-Q242 WeakPolarHBondContact O-CG 3.41Å; I238-Q242 PolarHBondContact O-N 3.48Å
239Q92.8Very high93.6Very high75 Ų7546.8 Ų46.835%0.3524%0.237SC..Hα-helixtrans-62.1-40.9179.5-172.4-178.822.700111.9I53 P235 F236 I241 Q242 N243I53-Q239 HydrophobicContact CG2-CB 3.92Å; I53-Q239 HydrophobicContact CG2-CG 4.37Å; P235-Q239 WeakPolarHBondContact O-CB 3.22Å; P235-Q239 PolarHBondContact O-N 3.41Å; F236-Q239 PolarHBondContact O-N 3.32Å; Q239-I241 VanDerWaalsContact C-N 3.33Å; Q239-I241 PolarHBondContact O-N 3.1Å; Q239-Q242 PolarHBondContact O-N 2.88Å; Q239-N243 WeakPolarHBondContact CG-ND2 3.48Å; Q239-N243 VanDerWaalsContact O-CB 3.27Å; Q239-N243 WeakPolarHBondContact O-CB 3.46Å; Q239-N243 VanDerWaalsContact O-CG 3.25Å; Q239-N243 PolarHBondContact O-N 3.38Å; Q239-N243 PolarHBondContact O-ND2 3.26Å
240L94Very high93.6Very high29 Ų2947.4 Ų47.415%0.15224%0.24CC..Hα-helixtrans-57.4-46.5176176.660.6000111.7L145 L147 F171 F236 L237 I238 S244L145-L240 HydrophobicContact CD2-CD2 3.86Å; L145-L240 HydrophobicContact CD2-CG 4.4Å; L147-L240 HydrophobicContact CD1-CD2 3.77Å; L147-L240 HydrophobicContact CD2-CD2 4.33Å; F171-L240 HydrophobicContact CE1-CD1 4.13Å; F171-L240 HydrophobicContact CZ-CD1 3.59Å; F236-L240 HydrophobicContact CE1-CD2 4.13Å; F236-L240 VanDerWaalsContact O-CB 3.31Å; F236-L240 WeakPolarHBondContact O-CB 3.33Å; F236-L240 PolarHBondContact O-N 3.01Å; L237-L240 HydrophobicContact CD2-CD2 4.44Å; L237-L240 WeakPolarHBondContact O-CB 3.09Å; L237-L240 PolarHBondContact O-N 2.75Å; I238-L240 VanDerWaalsContact C-N 3.32Å; I238-L240 PolarHBondContact O-N 2.97Å; L240-S244 PolarHBondContact O-N 3.12Å; L240-S244 VanDerWaalsContact O-N 3.12Å
241I92.6Very high93.6Very high16 Ų1647.4 Ų47.48%0.08224%0.24CC..Hα-helixtrans-68.2-44.1-179.1-68.8166.8000110.8W63 L237 I238 Q239 N243 S244 I248W63-I241 HydrophobicContact CH2-CD1 3.5Å; W63-I241 VanDerWaalsContact CH2-CD1 3.5Å; W63-I241 HydrophobicContact CZ2-CD1 3.34Å; L237-I241 WeakPolarHBondContact O-CD1 3.15Å; L237-I241 VanDerWaalsContact O-CG1 3.24Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 3.29Å; I238-I241 PolarHBondContact O-N 3.23Å; Q239-I241 VanDerWaalsContact C-N 3.33Å; Q239-I241 PolarHBondContact O-N 3.1Å; I241-N243 VanDerWaalsContact C-N 3.32Å; I241-N243 PolarHBondContact O-N 2.89Å; I241-S244 WeakPolarHBondContact O-CB 3.25Å; I241-S244 PolarHBondContact O-N 2.74Å; I241-I248 HydrophobicContact CG1-CB 4.27Å; I241-I248 HydrophobicContact CG1-CD1 4.35Å; I241-I248 HydrophobicContact CG1-CG2 4.29Å; I241-I248 HydrophobicContact CG2-CB 4.46Å
242Q89.5Confident93.7Very high108 Ų10847.6 Ų47.651%0.50524%0.241SC..Hα-helixtrans-63.6-36.9177.9-72.9-173.1-38.800113I238 Q239 S244I238-Q242 HydrophobicContact CG2-CG 4.4Å; I238-Q242 WeakPolarHBondContact O-CG 3.41Å; I238-Q242 PolarHBondContact O-N 3.48Å; Q239-Q242 PolarHBondContact O-N 2.88Å; Q242-S244 VanDerWaalsContact C-N 3.3Å
243N91.6Very high93.9Very high117 Ų11747.5 Ų47.563%0.62624%0.24SC*.THydrogen-bonded Turntrans-84.4-5.2179.9-69.1-17.6000113.2Q239 I241Q239-N243 WeakPolarHBondContact CG-ND2 3.48Å; Q239-N243 VanDerWaalsContact O-CB 3.27Å; Q239-N243 WeakPolarHBondContact O-CB 3.46Å; Q239-N243 VanDerWaalsContact O-CG 3.25Å; Q239-N243 PolarHBondContact O-N 3.38Å; Q239-N243 PolarHBondContact O-ND2 3.26Å; I241-N243 VanDerWaalsContact C-N 3.32Å; I241-N243 PolarHBondContact O-N 2.89Å
244S91.9Very high93.8Very high44 Ų4447.6 Ų47.631%0.30824%0.241SC..  trans-70.1134.7-179.5-177.50000111.3L240 I241 Q242 K246L240-S244 PolarHBondContact O-N 3.12Å; L240-S244 VanDerWaalsContact O-N 3.12Å; I241-S244 WeakPolarHBondContact O-CB 3.25Å; I241-S244 PolarHBondContact O-N 2.74Å; Q242-S244 VanDerWaalsContact C-N 3.3Å; S244-K246 VanDerWaalsContact C-N 3.29Å; S244-K246 WeakPolarHBondContact CB-O 3.31Å; S244-K246 PolarHBondContact O-N 3.33Å; S244-K246 PolarHBondContact OG-N 3.22Å; S244-K246 PolarHBondContact OG-O 3.27Å
245K89.9Confident93.7Very high213 Ų21348.9 Ų48.993%0.92625%0.251SS*.SBendtrans-69.7-27.3175.6-65.6-176.8179-179.50113.1
246K88.7Confident93.8Very high162 Ų16248.9 Ų48.970%0.70425%0.251SS*.SBendtrans-110.6139.4176.6-67.5-175.9179.4-178.20108.7S244 I248S244-K246 VanDerWaalsContact C-N 3.29Å; S244-K246 WeakPolarHBondContact CB-O 3.31Å; S244-K246 PolarHBondContact O-N 3.33Å; S244-K246 PolarHBondContact OG-N 3.22Å; S244-K246 PolarHBondContact OG-O 3.27Å; K246-I248 PolarHBondContact O-N 3.17Å
247P90.5Very high93.7Very high109 Ų10949.7 Ų49.771%0.70826%0.255SS*.  trans-55.1131.4174.3-23.433.5000111
248I93.1Very high93.6Very high10 Ų1050.1 Ų50.15%0.05126%0.258CS..  trans-108.694.7175.4-61.2173.8000108R10 D144 L145 I241 K246 L251R10-I248 PolarHBondContact NH1-O 2.83Å; D144-I248 HydrophobicContact CB-CB 4.44Å; D144-I248 HydrophobicContact CB-CG2 4.16Å; L145-I248 HydrophobicContact CB-CD1 4.27Å; L145-I248 HydrophobicContact CB-CG2 4.19Å; L145-I248 HydrophobicContact CD2-CD1 3.77Å; I241-I248 HydrophobicContact CG1-CB 4.27Å; I241-I248 HydrophobicContact CG1-CD1 4.35Å; I241-I248 HydrophobicContact CG1-CG2 4.29Å; I241-I248 HydrophobicContact CG2-CB 4.46Å; K246-I248 PolarHBondContact O-N 3.17Å; I248-L251 HydrophobicContact CG2-CB 4.44Å
249T92.8Very high93.7Very high57 Ų5749.2 Ų49.235%0.3525%0.253SS..  trans-93.9-22.2177.660.60000112.7R10 Y11 D144R10-T249 CarbonylContact C-O 3.38Å; R10-T249 WeakPolarHBondContact CA-O 3.48Å; Y11-T249 PolarHBondContact N-O 3.03Å; D144-T249 WeakPolarHBondContact OD2-CA 3.49Å; D144-T249 PolarHBondContact OD2-N 3.26Å; D144-T249 PolarHBondContact OD2-OG1 2.87Å
250T95.3Very high93.8Very high14 Ų1448.6 Ų48.69%0.08625%0.252CS..EExtended strand (participates in β ladder)trans-126.8121.7178.953.90000109.5Y11 F13 F120 V143 D144 L145Y11-T250 HydrophobicContact CD2-CG2 4.2Å; Y11-T250 WeakPolarHBondContact O-CA 3.16Å; F13-T250 HydrophobicContact CE2-CG2 4.15Å; F120-T250 HydrophobicContact CZ-CG2 4.36Å; V143-T250 VanDerWaalsContact CA-OG1 3.32Å; V143-T250 WeakPolarHBondContact CA-OG1 3.38Å; V143-T250 VanDerWaalsContact CG1-O 3.25Å; V143-T250 WeakPolarHBondContact CG1-O 3.47Å; D144-T250 WeakPolarHBondContact CB-O 3.25Å; D144-T250 VanDerWaalsContact CG-OG1 3.31Å; D144-T250 PolarHBondContact N-O 3.37Å; D144-T250 PolarHBondContact N-OG1 3.24Å; D144-T250 PolarHBondContact OD2-N 2.85Å; D144-T250 PolarHBondContact OD2-OG1 3.23Å; L145-T250 PolarHBondContact N-O 3.47Å
251L97.7Very high93.9Very high1 Ų147.9 Ų47.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-123.6129.5-177176.164.4000109.7Y11 L12 F13 W63 L145 L147 L237 I248 L253Y11-L251 PolarHBondContact O-N 3.38Å; L12-L251 CarbonylContact C-O 3.59Å; L12-L251 WeakPolarHBondContact CA-O 3.48Å; L12-L251 HydrophobicContact CD1-CD2 4.13Å; F13-L251 PolarHBondContact N-O 3.47Å; W63-L251 HydrophobicContact CH2-CB 4.12Å; W63-L251 HydrophobicContact CH2-CD2 4.04Å; W63-L251 HydrophobicContact CZ3-CB 4.09Å; W63-L251 HydrophobicContact CZ3-CD2 4.46Å; L145-L251 HydrophobicContact CB-CD1 4.15Å; L145-L251 HydrophobicContact CD2-CD1 4.06Å; L145-L251 HydrophobicContact CG-CD1 4.08Å; L145-L251 CarbonylContact O-C 3.48Å; L145-L251 WeakPolarHBondContact O-CA 3.45Å; L147-L251 HydrophobicContact CD1-CD1 3.96Å; L147-L251 HydrophobicContact CG-CD1 4.09Å; L237-L251 HydrophobicContact CD1-CD2 4.14Å; L237-L251 HydrophobicContact CD2-CD2 4.06Å; I248-L251 HydrophobicContact CG2-CB 4.44Å; L251-L253 HydrophobicContact CD1-CD2 4.4Å; L251-L253 HydrophobicContact CD2-CD2 4.19Å; L251-L253 HydrophobicContact CG-CD2 4.11Å
252Y97.9Very high93.9Very high5 Ų548.9 Ų48.92%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-112.3131176.3177.2-80.2000111.1F13 D15 L145 A146 L147 M199 L201 F202F13-Y252 HydrophobicContact CB-CD2 3.62Å; F13-Y252 HydrophobicContact CB-CE2 4.49Å; F13-Y252 HydrophobicContact CB-CG 4.29Å; F13-Y252 CarbonylContact O-C 3.59Å; F13-Y252 WeakPolarHBondContact O-CA 3.43Å; D15-Y252 HydrophobicContact CB-CE2 4.36Å; D15-Y252 WeakPolarHBondContact CB-OH 3.37Å; L145-Y252 PolarHBondContact O-N 3.34Å; A146-Y252 CarbonylContact C-O 3.52Å; A146-Y252 WeakPolarHBondContact CA-O 3.15Å; A146-Y252 HydrophobicContact CB-CD1 4Å; A146-Y252 HydrophobicContact CB-CG 4.41Å; L147-Y252 PolarHBondContact N-O 3.05Å; M199-Y252 HydrophobicContact SD-CD1 4.34Å; M199-Y252 HydrophobicContact SD-CE1 4.09Å; L201-Y252 HydrophobicContact CB-CD2 4.44Å; L201-Y252 HydrophobicContact CB-CE2 4Å; L201-Y252 HydrophobicContact CD1-CD2 4.39Å; L201-Y252 HydrophobicContact CD2-CD1 3.63Å; L201-Y252 HydrophobicContact CD2-CD2 4.12Å; L201-Y252 HydrophobicContact CD2-CE1 3.63Å; L201-Y252 HydrophobicContact CD2-CE2 4.13Å; L201-Y252 HydrophobicContact CD2-CG 3.88Å; F202-Y252 HydrophobicContact CD1-CE2 4.17Å; F202-Y252 HydrophobicContact CD2-CE2 4.19Å; F202-Y252 AromaticContact CE1-CE2 3.94Å; F202-Y252 HydrophobicContact CE1-CE2 3.94Å; F202-Y252 HydrophobicContact CE2-CD2 4.37Å; F202-Y252 AromaticContact CE2-CE2 3.98Å; F202-Y252 HydrophobicContact CE2-CE2 3.98Å; F202-Y252 HydrophobicContact CG-CE2 4.29Å; F202-Y252 HydrophobicContact CZ-CD2 4.23Å; F202-Y252 AromaticContact CZ-CE2 3.85Å; F202-Y252 HydrophobicContact CZ-CE2 3.85Å; F202-Y252 PolarHBondContact N-OH 3.16Å
253L98.1Very high94.2Very high0 Ų047.9 Ų47.90%026%0.256CS..EExtended strand (participates in β ladder)trans-108.6105.7174.8-54.5-173.3000110.6L12 F13 Y14 D15 L147 L149 L233 L237 L251 I259L12-L253 HydrophobicContact CD1-CD1 4.13Å; L12-L253 HydrophobicContact CD1-CG 4.44Å; L12-L253 HydrophobicContact CD2-CD1 4.3Å; F13-L253 PolarHBondContact O-N 3.08Å; Y14-L253 VanDerWaalsContact CA-O 3.26Å; Y14-L253 WeakPolarHBondContact CA-O 3.05Å; D15-L253 PolarHBondContact N-O 3.13Å; L147-L253 HydrophobicContact CB-CD2 4.14Å; L147-L253 HydrophobicContact CD1-CD2 4.16Å; L149-L253 HydrophobicContact CD1-CB 3.93Å; L149-L253 HydrophobicContact CD1-CD2 4.08Å; L149-L253 HydrophobicContact CD1-CG 4.47Å; L233-L253 HydrophobicContact CD2-CD1 4.47Å; L237-L253 HydrophobicContact CD1-CD1 4.47Å; L237-L253 HydrophobicContact CD2-CD2 4.5Å; L251-L253 HydrophobicContact CD1-CD2 4.4Å; L251-L253 HydrophobicContact CD2-CD2 4.19Å; L251-L253 HydrophobicContact CG-CD2 4.11Å; L253-I259 HydrophobicContact CD1-CD1 4.33Å
254G95.2Very high94.4Very high2 Ų243.2 Ų43.22%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-81.5146.7174.600000112.1L147 L149L147-G254 PolarHBondContact O-N 3.02Å; L149-G254 WeakPolarHBondContact CB-O 3.47Å; L149-G254 PolarHBondContact N-O 3.44Å
255S93.6Very high94.5Very high28 Ų2842.2 Ų42.220%0.19622%0.223CC..THydrogen-bonded Turntrans54.847.7-176.4-72.80000114D15 Q148 L149 Q257 S258D15-S255 PolarHBondContact O-N 3.26Å; Q148-S255 PolarHBondContact NE2-OG 3.39Å; L149-S255 WeakPolarHBondContact O-CB 3.33Å; S255-Q257 PolarHBondContact O-N 3.13Å; S255-Q257 VanDerWaalsContact O-N 3.09Å; S255-Q257 PolarHBondContact O-OE1 3.43Å; S255-Q257 PolarHBondContact OG-NE2 3.17Å; S255-S258 WeakPolarHBondContact O-CB 3.48Å; S255-S258 PolarHBondContact O-N 2.82Å; S255-S258 PolarHBondContact O-OG 2.88Å
256A97.4Very high94.8Very high0 Ų034.2 Ų34.20%019%0.189CC..G310 helixtrans-63.6-14-177.400000114.5Y14 D15 V28 V32 S258 I259Y14-A256 HydrophobicContact CD2-CB 3.74Å; Y14-A256 HydrophobicContact CG-CB 4.3Å; D15-A256 WeakPolarHBondContact O-CB 3.27Å; D15-A256 PolarHBondContact O-N 2.69Å; V28-A256 HydrophobicContact CG1-CB 3.65Å; V32-A256 HydrophobicContact CG2-CB 4.06Å; A256-S258 PolarHBondContact O-N 3.33Å; A256-S258 VanDerWaalsContact O-N 3.12Å; A256-I259 HydrophobicContact CB-CD1 4.23Å; A256-I259 VanDerWaalsContact O-CB 3.31Å; A256-I259 WeakPolarHBondContact O-CB 3.43Å; A256-I259 WeakPolarHBondContact O-CG1 3.46Å; A256-I259 PolarHBondContact O-N 2.69Å
257Q94.7Very high95.1Very high35 Ų3533.6 Ų33.616%0.16418%0.182CC..G310 helixtrans-59.1-19.8166.673.1-70.4-800113.3V16 F17 E20 V28 R31 R151 S255 I259V16-Q257 HydrophobicContact CG1-CB 4.05Å; F17-Q257 VanDerWaalsContact CB-NE2 3.33Å; E20-Q257 HydrophobicContact CG-CB 4.46Å; E20-Q257 HydrophobicContact CG-CG 4.42Å; V28-Q257 HydrophobicContact CG2-CB 3.94Å; R31-Q257 PolarHBondContact NH1-O 3.22Å; R151-Q257 PolarHBondContact NH2-O 2.99Å; S255-Q257 PolarHBondContact O-N 3.13Å; S255-Q257 VanDerWaalsContact O-N 3.09Å; S255-Q257 PolarHBondContact O-OE1 3.43Å; S255-Q257 PolarHBondContact OG-NE2 3.17Å; Q257-I259 PolarHBondContact O-N 2.64Å
258S94.6Very high95.4Very high9 Ų928.9 Ų28.96%0.06315%0.152CC..G310 helixtrans-64.3-27.6172.4-62.20000112.4L149 R151 S255 A256 I260L149-S258 PolarHBondContact O-OG 3.39Å; R151-S258 VanDerWaalsContact CZ-O 3.32Å; R151-S258 PolarHBondContact NE-O 3.39Å; R151-S258 PolarHBondContact NH2-O 3.06Å; S255-S258 WeakPolarHBondContact O-CB 3.48Å; S255-S258 PolarHBondContact O-N 2.82Å; S255-S258 PolarHBondContact O-OG 2.88Å; A256-S258 PolarHBondContact O-N 3.33Å; A256-S258 VanDerWaalsContact O-N 3.12Å; S258-I260 PolarHBondContact O-N 3.15Å
259I97.2Very high95.6Very high0 Ų031.7 Ų31.70%017%0.165CC..  trans-64.7130.6173.5-52.4174.1000107.8R31 V32 L149 L228 P230 L233 L253 A256 Q257R31-I259 HydrophobicContact CB-CB 4.21Å; R31-I259 HydrophobicContact CB-CG2 3.74Å; R31-I259 WeakPolarHBondContact CD-O 3.39Å; R31-I259 PolarHBondContact NH1-O 3.21Å; V32-I259 HydrophobicContact CG2-CD1 3.87Å; L149-I259 HydrophobicContact CD2-CD1 3.82Å; L149-I259 HydrophobicContact CD2-CG1 3.34Å; L228-I259 CarbonylContact O-C 3.56Å; L228-I259 WeakPolarHBondContact O-CA 3.41Å; L228-I259 VanDerWaalsContact O-CG2 3.24Å; L228-I259 WeakPolarHBondContact O-CG2 3.41Å; P230-I259 HydrophobicContact CG-CG2 4.23Å; L233-I259 HydrophobicContact CD2-CD1 3.79Å; L233-I259 HydrophobicContact CD2-CG1 4Å; L253-I259 HydrophobicContact CD1-CD1 4.33Å; A256-I259 HydrophobicContact CB-CD1 4.23Å; A256-I259 VanDerWaalsContact O-CB 3.31Å; A256-I259 WeakPolarHBondContact O-CB 3.43Å; A256-I259 WeakPolarHBondContact O-CG1 3.46Å; A256-I259 PolarHBondContact O-N 2.69Å; Q257-I259 PolarHBondContact O-N 2.64Å
260I94.6Very high95.8Very high62 Ų6230.2 Ų30.232%0.31815%0.154SC..  trans-102.6157.5174.254.7174.3000110.7L228 E229 P230 S258L228-I260 PolarHBondContact O-N 2.97Å; E229-I260 HydrophobicContact CB-CG1 4.12Å; P230-I260 WeakPolarHBondContact CD-O 3.34Å; S258-I260 PolarHBondContact O-N 3.15Å
261H95.4Very high96Very high14 Ų1429.6 Ų29.67%0.06515%0.15CC..  trans-66.3-43171.8-68.3-62.1000112.3D27 R31 E229 H263 W264 Y271D27-H261 IonicContact OD1-NE2 3.4Å; D27-H261 IonicContact OD2-CD2 3.91Å; D27-H261 IonicContact OD2-CE1 3.18Å; D27-H261 IonicContact OD2-NE2 2.75Å; D27-H261 PolarHBondContact OD2-NE2 2.74Å; R31-H261 VanDerWaalsContact CG-CE1 3.4Å; R31-H261 WeakPolarHBondContact CG-CE1 3.35Å; R31-H261 VanDerWaalsContact CG-ND1 3.27Å; R31-H261 WeakPolarHBondContact CG-ND1 3.2Å; R31-H261 PolarHBondContact NE-NE2 3.43Å; E229-H261 WeakPolarHBondContact CG-O 3.24Å; H261-H263 PolarHBondContact O-N 3.22Å; H261-W264 PolarHBondContact O-N 3.46Å; H261-W264 VanDerWaalsContact O-N 3.1Å; H261-Y271 AromaticContact CE1-CD2 3.71Å; H261-Y271 AromaticContact CE1-CE2 3.53Å; H261-Y271 AromaticContact ND1-CD2 3.91Å; H261-Y271 AromaticContact NE2-CE2 3.73Å
262G93.1Very high96Very high36 Ų3629.6 Ų29.637%0.37115%0.15SC..G310 helixtrans57.5-122.8-179.800000112.8E229 W264 S265E229-G262 VanDerWaalsContact CD-CA 3.47Å; E229-G262 WeakPolarHBondContact OE2-CA 3.39Å; G262-W264 PolarHBondContact O-N 2.7Å; G262-S265 WeakPolarHBondContact O-CB 3.5Å
263H94.9Very high96Very high87 Ų8729.4 Ų29.440%0.40315%0.149SC..G310 helixtrans-65.1-23.8178.1-6175.1000113.2F48 E229 I231 H261F48-H263 AromaticContact CE2-CE1 3.73Å; F48-H263 AromaticContact CE2-NE2 3.62Å; F48-H263 AromaticContact CZ-CD2 3.76Å; F48-H263 AromaticContact CZ-CE1 3.96Å; F48-H263 AromaticContact CZ-NE2 3.53Å; E229-H263 VanDerWaalsContact CD-ND1 3.35Å; E229-H263 WeakPolarHBondContact OE1-CA 3.5Å; E229-H263 WeakPolarHBondContact OE1-CB 3.41Å; E229-H263 IonicContact OE1-CG 3.52Å; E229-H263 PolarHBondContact OE1-N 3.34Å; E229-H263 IonicContact OE1-ND1 3.5Å; E229-H263 PolarHBondContact OE1-ND1 3.3Å; E229-H263 IonicContact OE2-CE1 3.47Å; E229-H263 IonicContact OE2-CG 3.89Å; E229-H263 PolarHBondContact OE2-N 3.1Å; E229-H263 VanDerWaalsContact OE2-N 3.16Å; E229-H263 IonicContact OE2-ND1 3.95Å; E229-H263 PolarHBondContact OE2-ND1 2.89Å; I231-H263 HydrophobicContact CD1-CB 4.22Å; I231-H263 WeakPolarHBondContact CD1-ND1 3.33Å; H261-H263 PolarHBondContact O-N 3.22Å
264W95.7Very high96Very high19 Ų1929.4 Ų29.47%0.07215%0.149CC..G310 helixtrans-102.547.5179.1-64.6-11.2000112.1N34 L38 P230 I231 H261 G262 S268 E270N34-W264 HydrophobicContact CB-CE3 3.65Å; N34-W264 HydrophobicContact CB-CZ3 3.8Å; L38-W264 HydrophobicContact CD1-CH2 3.57Å; L38-W264 HydrophobicContact CD1-CZ2 4.35Å; L38-W264 HydrophobicContact CD1-CZ3 3.64Å; L38-W264 HydrophobicContact CD2-CH2 3.29Å; L38-W264 HydrophobicContact CD2-CZ2 3.99Å; L38-W264 HydrophobicContact CD2-CZ3 4.13Å; L38-W264 HydrophobicContact CG-CH2 3.37Å; L38-W264 HydrophobicContact CG-CZ2 4.39Å; L38-W264 HydrophobicContact CG-CZ3 3.67Å; P230-W264 HydrophobicContact CB-CE3 4.17Å; P230-W264 HydrophobicContact CB-CZ3 4.38Å; I231-W264 HydrophobicContact CG2-CD2 4.08Å; I231-W264 HydrophobicContact CG2-CE3 4.47Å; I231-W264 HydrophobicContact CG2-CZ2 4.06Å; H261-W264 PolarHBondContact O-N 3.46Å; H261-W264 VanDerWaalsContact O-N 3.1Å; G262-W264 PolarHBondContact O-N 2.7Å; W264-S268 WeakPolarHBondContact CA-OG 3.36Å; W264-E270 HydrophobicContact CB-CB 4.09Å; W264-E270 HydrophobicContact CD2-CB 3.89Å; W264-E270 HydrophobicContact CD2-CG 3.87Å; W264-E270 HydrophobicContact CE3-CB 4.19Å; W264-E270 HydrophobicContact CE3-CG 4.39Å; W264-E270 HydrophobicContact CG-CB 3.85Å; W264-E270 HydrophobicContact CG-CG 4.05Å; W264-E270 HydrophobicContact CH2-CG 4.5Å; W264-E270 HydrophobicContact CZ2-CG 4.1Å
265S95.1Very high96.1Very high23 Ų2329.6 Ų29.616%0.16115%0.149CC..SBendtrans-80.7-174.7176.386.80000112.6G262 W267 S268 Y271G262-S265 WeakPolarHBondContact O-CB 3.5Å; S265-W267 PolarHBondContact O-N 2.96Å; S265-W267 PolarHBondContact OG-N 2.82Å; S265-S268 WeakPolarHBondContact O-CA 3.39Å; S265-S268 VanDerWaalsContact O-CB 3.3Å; S265-S268 WeakPolarHBondContact O-CB 3.22Å; S265-S268 PolarHBondContact O-N 2.82Å; S265-S268 PolarHBondContact O-OG 2.64Å; S265-Y271 WeakPolarHBondContact O-CB 3.28Å
266E94.6Very high96.3Very high45 Ų4528.6 Ų28.621%0.2114%0.142CC..THydrogen-bonded Turntrans-55.1-14177.2-56.188.4160.800114.2S268 Y271 W272 W505E266-S268 VanDerWaalsContact C-N 3.34Å; E266-Y271 HydrophobicContact CB-CD1 4.33Å; E266-Y271 HydrophobicContact CB-CE1 4.29Å; E266-Y271 HydrophobicContact CG-CD1 4.28Å; E266-Y271 HydrophobicContact CG-CD2 4.29Å; E266-Y271 HydrophobicContact CG-CE1 3.86Å; E266-Y271 HydrophobicContact CG-CE2 3.88Å; E266-Y271 HydrophobicContact CG-CG 4.5Å; E266-W272 PolarHBondContact O-NE1 3.19Å; E266-W505 HydrophobicContact CB-CB 4.4Å; E266-W505 HydrophobicContact CB-CD2 3.52Å; E266-W505 HydrophobicContact CB-CE3 3.36Å; E266-W505 HydrophobicContact CB-CG 3.95Å; E266-W505 HydrophobicContact CB-CH2 4.26Å; E266-W505 HydrophobicContact CB-CZ2 4.44Å; E266-W505 HydrophobicContact CB-CZ3 3.64Å; E266-W505 HydrophobicContact CG-CD2 4.31Å; E266-W505 HydrophobicContact CG-CE3 4.49Å
267W95.2Very high96.4Very high149 Ų14928.6 Ų28.656%0.56414%0.142SC*.THydrogen-bonded Turntrans-87.46171.6-66.1124.4000114.2S265 T503 W505 P506 I508S265-W267 PolarHBondContact O-N 2.96Å; S265-W267 PolarHBondContact OG-N 2.82Å; W267-T503 HydrophobicContact CZ2-CG2 4.34Å; W267-W505 AromaticContact CD1-CZ3 3.44Å; W267-W505 VanDerWaalsContact CD1-CZ3 3.44Å; W267-W505 AromaticContact CD2-CE3 3.64Å; W267-W505 HydrophobicContact CD2-CE3 3.64Å; W267-W505 AromaticContact CD2-CZ3 3.4Å; W267-W505 HydrophobicContact CD2-CZ3 3.4Å; W267-W505 AromaticContact CE2-CE3 3.54Å; W267-W505 AromaticContact CE2-CH2 3.76Å; W267-W505 AromaticContact CE2-CZ3 2.97Å; W267-W505 AromaticContact CE3-CE3 3.94Å; W267-W505 HydrophobicContact CE3-CE3 3.94Å; W267-W505 HydrophobicContact CE3-CZ3 4.17Å; W267-W505 HydrophobicContact CG-CE3 4.16Å; W267-W505 AromaticContact CG-CZ3 3.65Å; W267-W505 HydrophobicContact CG-CZ3 3.65Å; W267-W505 AromaticContact CH2-CE3 3.94Å; W267-W505 HydrophobicContact CH2-CE3 3.94Å; W267-W505 HydrophobicContact CH2-CZ3 4.11Å; W267-W505 AromaticContact CZ2-CE3 3.67Å; W267-W505 HydrophobicContact CZ2-CE3 3.67Å; W267-W505 AromaticContact CZ2-CH2 3.94Å; W267-W505 HydrophobicContact CZ2-CH2 3.94Å; W267-W505 AromaticContact CZ2-CZ3 3.36Å; W267-W505 HydrophobicContact CZ2-CZ3 3.36Å; W267-W505 HydrophobicContact CZ3-CE3 4.09Å; W267-W505 HydrophobicContact CZ3-CZ3 4.48Å; W267-W505 AromaticContact NE1-CH2 3.58Å; W267-W505 AromaticContact NE1-CZ3 3.05Å; W267-P506 HydrophobicContact CE3-CG 4.41Å; W267-P506 HydrophobicContact CZ3-CG 4.16Å; W267-I508 WeakPolarHBondContact O-CD1 3.4Å
268S96.8Very high96.6Very high11 Ų1127.2 Ų27.28%0.07714%0.135CC..SBendtrans-120.4151.4-173113.80000112.2W264 S265 E266 E270 Y271 W272W264-S268 WeakPolarHBondContact CA-OG 3.36Å; S265-S268 WeakPolarHBondContact O-CA 3.39Å; S265-S268 VanDerWaalsContact O-CB 3.3Å; S265-S268 WeakPolarHBondContact O-CB 3.22Å; S265-S268 PolarHBondContact O-N 2.82Å; S265-S268 PolarHBondContact O-OG 2.64Å; E266-S268 VanDerWaalsContact C-N 3.34Å; S268-E270 VanDerWaalsContact CB-OE2 3.23Å; S268-E270 WeakPolarHBondContact CB-OE2 3.32Å; S268-E270 PolarHBondContact O-N 3.34Å; S268-E270 PolarHBondContact OG-N 3.1Å; S268-E270 VanDerWaalsContact OG-N 3.16Å; S268-E270 PolarHBondContact OG-OE2 3.34Å; S268-Y271 PolarHBondContact OG-N 3.35Å; S268-W272 VanDerWaalsContact O-CD1 3.29Å; S268-W272 PolarHBondContact O-N 2.94Å
269Q97.4Very high96.7Very high68 Ų6827.8 Ų27.832%0.31814%0.138SC..Hα-helixtrans-67.4-28.7175.567.5-176.6-9.300112.1W272 T273 I508 E510Q269-W272 PolarHBondContact O-N 3.23Å; Q269-T273 WeakPolarHBondContact O-CB 3.34Å; Q269-T273 PolarHBondContact O-N 2.91Å; Q269-T273 PolarHBondContact O-OG1 3.24Å; Q269-I508 WeakPolarHBondContact CA-O 3.49Å; Q269-I508 HydrophobicContact CB-CB 4.2Å; Q269-I508 HydrophobicContact CB-CG2 3.74Å; Q269-E510 HydrophobicContact CB-CB 3.96Å; Q269-E510 HydrophobicContact CG-CB 4.03Å; Q269-E510 HydrophobicContact CG-CG 4.15Å
270E98.1Very high96.8Very high27 Ų2728 Ų2813%0.12614%0.139CC..Hα-helixtrans-67.7-43.4-179.8-60.676-163.100110.3W264 S268 T273 V274W264-E270 HydrophobicContact CB-CB 4.09Å; W264-E270 HydrophobicContact CD2-CB 3.89Å; W264-E270 HydrophobicContact CD2-CG 3.87Å; W264-E270 HydrophobicContact CE3-CB 4.19Å; W264-E270 HydrophobicContact CE3-CG 4.39Å; W264-E270 HydrophobicContact CG-CB 3.85Å; W264-E270 HydrophobicContact CG-CG 4.05Å; W264-E270 HydrophobicContact CH2-CG 4.5Å; W264-E270 HydrophobicContact CZ2-CG 4.1Å; S268-E270 VanDerWaalsContact CB-OE2 3.23Å; S268-E270 WeakPolarHBondContact CB-OE2 3.32Å; S268-E270 PolarHBondContact O-N 3.34Å; S268-E270 PolarHBondContact OG-N 3.1Å; S268-E270 VanDerWaalsContact OG-N 3.16Å; S268-E270 PolarHBondContact OG-OE2 3.34Å; E270-T273 PolarHBondContact O-N 3.42Å; E270-V274 WeakPolarHBondContact O-CG2 3.37Å; E270-V274 PolarHBondContact O-N 3.46Å
271Y98.2Very high97Very high0 Ų025.2 Ų25.20%013%0.126CC..Hα-helixtrans-56.5-52.8172.5178.2-89.3000111.7I30 H261 S265 E266 S268 T273 V274 R275 R459 E462I30-Y271 HydrophobicContact CD1-CD2 4.41Å; I30-Y271 HydrophobicContact CD1-CE2 3.72Å; I30-Y271 HydrophobicContact CG2-CD2 3.76Å; I30-Y271 HydrophobicContact CG2-CE2 4.06Å; I30-Y271 HydrophobicContact CG2-CG 4.5Å; H261-Y271 AromaticContact CE1-CD2 3.71Å; H261-Y271 AromaticContact CE1-CE2 3.53Å; H261-Y271 AromaticContact ND1-CD2 3.91Å; H261-Y271 AromaticContact NE2-CE2 3.73Å; S265-Y271 WeakPolarHBondContact O-CB 3.28Å; E266-Y271 HydrophobicContact CB-CD1 4.33Å; E266-Y271 HydrophobicContact CB-CE1 4.29Å; E266-Y271 HydrophobicContact CG-CD1 4.28Å; E266-Y271 HydrophobicContact CG-CD2 4.29Å; E266-Y271 HydrophobicContact CG-CE1 3.86Å; E266-Y271 HydrophobicContact CG-CE2 3.88Å; E266-Y271 HydrophobicContact CG-CG 4.5Å; S268-Y271 PolarHBondContact OG-N 3.35Å; Y271-T273 VanDerWaalsContact C-N 3.33Å; Y271-T273 PolarHBondContact O-N 2.93Å; Y271-V274 PolarHBondContact O-N 3.1Å; Y271-R275 HydrophobicContact CD1-CB 4.39Å; Y271-R275 HydrophobicContact CE1-CB 4.07Å; Y271-R275 HydrophobicContact CE1-CG 4.34Å; Y271-R275 WeakPolarHBondContact O-CB 3.48Å; Y271-R275 PolarHBondContact O-N 3.38Å; Y271-R459 PolarHBondContact OH-NH2 3.06Å; Y271-E462 PolarHBondContact OH-OE1 3.27Å
272W97.7Very high97.1Very high2 Ų228.7 Ų28.71%0.00815%0.145CC..Hα-helixtrans-67.9-32-175.5-77.9108.4000113.3E266 S268 Q269 R275 R276 E462 I466 W505 P506 V507 I508E266-W272 PolarHBondContact O-NE1 3.19Å; S268-W272 VanDerWaalsContact O-CD1 3.29Å; S268-W272 PolarHBondContact O-N 2.94Å; Q269-W272 PolarHBondContact O-N 3.23Å; W272-R275 HydrophobicContact CE3-CB 4.4Å; W272-R275 HydrophobicContact CE3-CG 4.3Å; W272-R275 HydrophobicContact CZ3-CG 4.27Å; W272-R275 PolarHBondContact O-N 2.85Å; W272-R276 VanDerWaalsContact O-CB 3.22Å; W272-R276 WeakPolarHBondContact O-CB 3.31Å; W272-R276 WeakPolarHBondContact O-CD 3.47Å; W272-R276 WeakPolarHBondContact O-CG 3.14Å; W272-R276 PolarHBondContact O-N 3.34Å; W272-E462 HydrophobicContact CH2-CG 4.28Å; W272-E462 HydrophobicContact CZ3-CB 4.48Å; W272-I466 HydrophobicContact CE3-CG1 4.34Å; W272-I466 HydrophobicContact CZ3-CD1 4.25Å; W272-I466 HydrophobicContact CZ3-CG1 3.94Å; W272-W505 HydrophobicContact CZ2-CB 3.67Å; W272-W505 WeakPolarHBondContact CZ2-O 3.29Å; W272-P506 PolarHBondContact NE1-O 3.38Å; W272-V507 HydrophobicContact CB-CG1 4.3Å; W272-V507 HydrophobicContact CD2-CB 4.22Å; W272-V507 HydrophobicContact CD2-CG1 4.05Å; W272-V507 HydrophobicContact CD2-CG2 4.18Å; W272-V507 HydrophobicContact CE3-CB 4.29Å; W272-V507 HydrophobicContact CE3-CG1 3.98Å; W272-V507 HydrophobicContact CE3-CG2 3.88Å; W272-V507 HydrophobicContact CG-CG1 4.2Å; W272-V507 HydrophobicContact CH2-CG2 3.89Å; W272-V507 HydrophobicContact CZ2-CG2 4.18Å; W272-V507 HydrophobicContact CZ3-CG2 3.75Å; W272-I508 WeakPolarHBondContact CB-O 3.41Å
273T98.3Very high97.3Very high0 Ų030.4 Ų30.40%014%0.143CC..Hα-helixtrans-59.2-49.8172.1-670000110.8F111 Q269 E270 Y271 S277 W320 E510 Y513F111-T273 HydrophobicContact CD2-CG2 3.67Å; F111-T273 HydrophobicContact CE2-CG2 3.81Å; Q269-T273 WeakPolarHBondContact O-CB 3.34Å; Q269-T273 PolarHBondContact O-N 2.91Å; Q269-T273 PolarHBondContact O-OG1 3.24Å; E270-T273 PolarHBondContact O-N 3.42Å; Y271-T273 VanDerWaalsContact C-N 3.33Å; Y271-T273 PolarHBondContact O-N 2.93Å; T273-S277 PolarHBondContact O-N 3.08Å; T273-W320 HydrophobicContact CG2-CH2 4.24Å; T273-W320 HydrophobicContact CG2-CZ3 4.32Å; T273-W320 WeakPolarHBondContact O-CZ3 3.47Å; T273-E510 WeakPolarHBondContact OG1-CB 3.22Å; T273-E510 PolarHBondContact OG1-OE2 3.24Å; T273-Y513 HydrophobicContact CG2-CD1 4.09Å; T273-Y513 HydrophobicContact CG2-CD2 3.45Å; T273-Y513 VanDerWaalsContact CG2-CD2 3.45Å; T273-Y513 HydrophobicContact CG2-CE2 4.06Å; T273-Y513 HydrophobicContact CG2-CG 3.46Å; T273-Y513 VanDerWaalsContact CG2-CG 3.46Å
274V98.7Very high97.5Very high0 Ų026.2 Ų26.20%012%0.124CC..Hα-helixtrans-68.5-45.7178.3-168.20000111Y29 I30 A33 N34 F111 E270 Y271 R276 S277 I278Y29-V274 HydrophobicContact CD1-CG1 4.07Å; Y29-V274 HydrophobicContact CE1-CG1 3.54Å; I30-V274 HydrophobicContact CB-CB 4.49Å; I30-V274 HydrophobicContact CB-CG1 4.32Å; I30-V274 HydrophobicContact CG1-CB 4.39Å; I30-V274 HydrophobicContact CG1-CG1 4.13Å; I30-V274 HydrophobicContact CG2-CB 4.06Å; I30-V274 HydrophobicContact CG2-CG1 4.4Å; I30-V274 HydrophobicContact CG2-CG2 4.5Å; A33-V274 HydrophobicContact CB-CG1 3.8Å; N34-V274 WeakPolarHBondContact OD1-CG2 3.44Å; F111-V274 HydrophobicContact CD1-CB 4.48Å; F111-V274 HydrophobicContact CD1-CG1 4.19Å; F111-V274 HydrophobicContact CD1-CG2 3.97Å; F111-V274 HydrophobicContact CE1-CB 4.23Å; F111-V274 HydrophobicContact CE1-CG1 4.13Å; F111-V274 HydrophobicContact CE1-CG2 3.31Å; F111-V274 HydrophobicContact CE2-CG2 4.21Å; F111-V274 HydrophobicContact CZ-CG2 3.44Å; F111-V274 VanDerWaalsContact CZ-CG2 3.44Å; E270-V274 WeakPolarHBondContact O-CG2 3.37Å; E270-V274 PolarHBondContact O-N 3.46Å; Y271-V274 PolarHBondContact O-N 3.1Å; V274-R276 VanDerWaalsContact C-N 3.29Å; V274-R276 PolarHBondContact O-N 3.33Å; V274-S277 WeakPolarHBondContact O-CB 3.29Å; V274-S277 PolarHBondContact O-N 2.84Å; V274-S277 PolarHBondContact O-OG 3.37Å; V274-I278 PolarHBondContact O-N 3.1Å
275R97.9Very high97.6Very high6 Ų627.9 Ų27.92%0.02313%0.13CC..Hα-helixtrans-59.3-39.6-178.817755.9-169.887.91.7112.2I30 Y271 W272 S277 I278 E462 E463 I466I30-R275 HydrophobicContact CD1-CB 4.06Å; Y271-R275 HydrophobicContact CD1-CB 4.39Å; Y271-R275 HydrophobicContact CE1-CB 4.07Å; Y271-R275 HydrophobicContact CE1-CG 4.34Å; Y271-R275 WeakPolarHBondContact O-CB 3.48Å; Y271-R275 PolarHBondContact O-N 3.38Å; W272-R275 HydrophobicContact CE3-CB 4.4Å; W272-R275 HydrophobicContact CE3-CG 4.3Å; W272-R275 HydrophobicContact CZ3-CG 4.27Å; W272-R275 PolarHBondContact O-N 2.85Å; R275-S277 VanDerWaalsContact C-N 3.31Å; R275-S277 PolarHBondContact O-N 3.28Å; R275-I278 PolarHBondContact NH1-O 3.31Å; R275-I278 PolarHBondContact O-N 3.27Å; R275-E462 WeakPolarHBondContact CD-OE2 3.12Å; R275-E462 IonicContact CZ-OE2 2.76Å; R275-E462 IonicContact NE-OE2 3.58Å; R275-E462 PolarHBondContact NE-OE2 3.47Å; R275-E462 IonicContact NH2-OE2 3.91Å; R275-E463 IonicContact CZ-OE2 3.22Å; R275-E463 IonicContact NH1-OE2 3.8Å; R275-E463 PolarHBondContact NH1-OE2 2.64Å; R275-E463 IonicContact NH2-OE2 2.67Å; R275-E463 PolarHBondContact NH2-OE2 3.07Å; R275-I466 HydrophobicContact CG-CD1 4.17Å
276R97.8Very high97.8Very high8 Ų830.7 Ų30.73%0.0314%0.143CC..Hα-helixtrans-66.7-30.2175.7-73.7167.863.3-141.87.5112.7W272 V274 I278 W320 R322 I466 Y509 T514W272-R276 VanDerWaalsContact O-CB 3.22Å; W272-R276 WeakPolarHBondContact O-CB 3.31Å; W272-R276 WeakPolarHBondContact O-CD 3.47Å; W272-R276 WeakPolarHBondContact O-CG 3.14Å; W272-R276 PolarHBondContact O-N 3.34Å; V274-R276 VanDerWaalsContact C-N 3.29Å; V274-R276 PolarHBondContact O-N 3.33Å; R276-I278 PolarHBondContact O-N 3.42Å; R276-W320 HydrophobicContact CB-CD2 4.43Å; R276-W320 HydrophobicContact CB-CE3 3.64Å; R276-W320 HydrophobicContact CB-CZ3 4.24Å; R276-W320 PolarHBondContact NE-O 3.49Å; R276-W320 PolarHBondContact NH2-O 3.37Å; R276-W320 WeakPolarHBondContact O-CB 3.28Å; R276-R322 PolarHBondContact NH2-O 3.45Å; R276-I466 HydrophobicContact CG-CD1 4.01Å; R276-I466 HydrophobicContact CG-CG1 3.98Å; R276-I466 HydrophobicContact CG-CG2 4.49Å; R276-Y509 VanDerWaalsContact CZ-CD1 3.43Å; R276-Y509 VanDerWaalsContact NH1-CD1 3.34Å; R276-T514 PolarHBondContact NH1-OG1 2.93Å
277S98.3Very high98Very high0 Ų030.5 Ų30.50%014%0.143CC..Hα-helixtrans-68.1-23174.279.60000113.4S107 L108 T273 V274 R275 T279S107-S277 CarbonylContact C-O 3.54Å; S107-S277 VanDerWaalsContact CB-O 3.29Å; S107-S277 WeakPolarHBondContact CB-O 3.42Å; L108-S277 WeakPolarHBondContact CD2-O 3.43Å; T273-S277 PolarHBondContact O-N 3.08Å; V274-S277 WeakPolarHBondContact O-CB 3.29Å; V274-S277 PolarHBondContact O-N 2.84Å; V274-S277 PolarHBondContact O-OG 3.37Å; R275-S277 VanDerWaalsContact C-N 3.31Å; R275-S277 PolarHBondContact O-N 3.28Å; S277-T279 VanDerWaalsContact C-N 3.3Å; S277-T279 PolarHBondContact O-N 3.25Å
278I98.5Very high98.1Very high5 Ų523.4 Ų23.43%0.02612%0.116CC..  trans-79.878.9177.5-49.5168.3000109.5Y29 I30 F103 L108 V274 R275 R276Y29-I278 HydrophobicContact CD1-CD1 3.6Å; Y29-I278 HydrophobicContact CD1-CG1 3.83Å; Y29-I278 HydrophobicContact CE1-CD1 3.99Å; Y29-I278 HydrophobicContact CE1-CG1 3.72Å; I30-I278 HydrophobicContact CD1-CD1 4.19Å; I30-I278 HydrophobicContact CG1-CD1 3.79Å; F103-I278 HydrophobicContact CD1-CG2 3.62Å; F103-I278 HydrophobicContact CE1-CG2 3.93Å; F103-I278 HydrophobicContact CG-CG2 4.17Å; L108-I278 HydrophobicContact CD2-CB 4.23Å; L108-I278 HydrophobicContact CD2-CG1 3.83Å; V274-I278 PolarHBondContact O-N 3.1Å; R275-I278 PolarHBondContact NH1-O 3.31Å; R275-I278 PolarHBondContact O-N 3.27Å; R276-I278 PolarHBondContact O-N 3.42Å
279T98Very high98.2Very high21 Ų2124.7 Ų24.713%0.12912%0.122CC..PPolyproline II helixtrans-94.2137.8175.665.90000110.7F103 D104 S107 S277 W320F103-T279 CarbonylContact C-O 3.55Å; F103-T279 VanDerWaalsContact CA-O 3.31Å; F103-T279 WeakPolarHBondContact CA-O 3.34Å; D104-T279 WeakPolarHBondContact CB-OG1 3.36Å; D104-T279 PolarHBondContact N-O 3.21Å; S107-T279 WeakPolarHBondContact CB-OG1 3.41Å; S107-T279 PolarHBondContact OG-OG1 3.35Å; S277-T279 VanDerWaalsContact C-N 3.3Å; S277-T279 PolarHBondContact O-N 3.25Å; T279-W320 HydrophobicContact CG2-CB 4.03Å; T279-W320 HydrophobicContact CG2-CG 4.45Å
280I98.5Very high98.3Very high4 Ų426.1 Ų26.12%0.02113%0.132CC..BIsolated β-bridgetrans-59.9142.2176.1-69.1162.2000111L284 R285 I436 W440I280-L284 HydrophobicContact CG2-CB 3.93Å; I280-R285 HydrophobicContact CB-CG 4.09Å; I280-R285 HydrophobicContact CG2-CG 3.76Å; I280-R285 PolarHBondContact O-NH1 2.94Å; I280-R285 VanDerWaalsContact O-NH1 3.11Å; I280-I436 HydrophobicContact CB-CG2 4.24Å; I280-I436 HydrophobicContact CD1-CG2 3.93Å; I280-I436 HydrophobicContact CG1-CG2 3.87Å; I280-I436 HydrophobicContact CG2-CG2 3.33Å; I280-W440 HydrophobicContact CD1-CD2 4.49Å; I280-W440 HydrophobicContact CD1-CE3 3.67Å; I280-W440 HydrophobicContact CD1-CZ3 4.34Å
281A98.4Very high98.3Very high5 Ų526 Ų264%0.04113%0.131CC..PPolyproline II helixtrans-60.2142.8177.700000112F102 H283 L284 R285F102-A281 PolarHBondContact O-N 3.37Å; A281-H283 PolarHBondContact O-N 2.92Å; A281-L284 PolarHBondContact O-N 2.94Å; A281-L284 VanDerWaalsContact O-N 3.09Å; A281-R285 PolarHBondContact O-N 2.99Å
282N97.8Very high98.4Very high86 Ų8626 Ų2646%0.4613%0.131SC..Hα-helixtrans-57.7-46-170.2-159.150.1000113.4L284 R285 D286N282-L284 PolarHBondContact O-N 2.91Å; N282-L284 VanDerWaalsContact O-N 3.15Å; N282-R285 WeakPolarHBondContact O-CB 3.39Å; N282-R285 PolarHBondContact O-N 3.23Å; N282-R285 PolarHBondContact OD1-NH2 3.44Å; N282-D286 PolarHBondContact ND2-OD2 3.3Å; N282-D286 PolarHBondContact O-N 3.13Å
283H97.9Very high98.4Very high72 Ų7232.2 Ų32.233%0.33316%0.16SC..Hα-helixtrans-61.3-27.1-178.171.8-84.5000113.5M101 A281 I287M101-H283 PolarHBondContact O-CE1 3.03Å; M101-H283 PolarHBondContact O-NE2 3.35Å; A281-H283 PolarHBondContact O-N 2.92Å; H283-I287 WeakPolarHBondContact O-CD1 3.43Å; H283-I287 VanDerWaalsContact O-CG1 3.28Å; H283-I287 WeakPolarHBondContact O-CG1 3.46Å; H283-I287 PolarHBondContact O-N 2.98Å
284L98.7Very high98.4Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-80.4-35.3175.3-62179.3000111.9F102 I280 A281 N282 I287 G288 Y429 I436 I437F102-L284 HydrophobicContact CD1-CD1 4.08Å; I280-L284 HydrophobicContact CG2-CB 3.93Å; A281-L284 PolarHBondContact O-N 2.94Å; A281-L284 VanDerWaalsContact O-N 3.09Å; N282-L284 PolarHBondContact O-N 2.91Å; N282-L284 VanDerWaalsContact O-N 3.15Å; L284-I287 HydrophobicContact CD2-CD1 4.41Å; L284-I287 PolarHBondContact O-N 3.25Å; L284-G288 PolarHBondContact O-N 2.75Å; L284-G288 VanDerWaalsContact O-N 3.14Å; L284-Y429 HydrophobicContact CD2-CD1 4.39Å; L284-Y429 HydrophobicContact CD2-CG 4.11Å; L284-I436 HydrophobicContact CB-CG2 3.96Å; L284-I436 HydrophobicContact CD1-CB 4.03Å; L284-I436 HydrophobicContact CD1-CD1 3.98Å; L284-I436 HydrophobicContact CD1-CG2 3.69Å; L284-I436 HydrophobicContact CG-CG2 4.46Å; L284-I437 HydrophobicContact CB-CG1 4.49Å; L284-I437 HydrophobicContact CD2-CD1 4.24Å; L284-I437 HydrophobicContact CD2-CG1 4.4Å
285R98.3Very high98.4Very high53 Ų5341.3 Ų41.320%0.220%0.203CC..Hα-helixtrans-62.7-46.7170.7-65.3-167.7-63.3-126-2.8110.5I280 A281 N282 I287 G288 D289 W440I280-R285 HydrophobicContact CB-CG 4.09Å; I280-R285 HydrophobicContact CG2-CG 3.76Å; I280-R285 PolarHBondContact O-NH1 2.94Å; I280-R285 VanDerWaalsContact O-NH1 3.11Å; A281-R285 PolarHBondContact O-N 2.99Å; N282-R285 WeakPolarHBondContact O-CB 3.39Å; N282-R285 PolarHBondContact O-N 3.23Å; N282-R285 PolarHBondContact OD1-NH2 3.44Å; R285-I287 VanDerWaalsContact C-N 3.25Å; R285-I287 PolarHBondContact O-N 3.4Å; R285-G288 CarbonylContact O-C 3.45Å; R285-G288 WeakPolarHBondContact O-CA 3.23Å; R285-G288 PolarHBondContact O-N 2.97Å; R285-D289 WeakPolarHBondContact O-CB 3.45Å; R285-D289 PolarHBondContact O-N 3.03Å; R285-W440 HydrophobicContact CB-CZ2 4.2Å; R285-W440 VanDerWaalsContact CD-CH2 3.45Å; R285-W440 VanDerWaalsContact CD-CZ2 3.47Å; R285-W440 HydrophobicContact CG-CD2 4Å; R285-W440 HydrophobicContact CG-CE3 4.27Å; R285-W440 HydrophobicContact CG-CH2 4.13Å; R285-W440 HydrophobicContact CG-CZ2 3.85Å; R285-W440 HydrophobicContact CG-CZ3 4.32Å
286D98.6Very high98.5Very high83 Ų8341 Ų4144%0.44420%0.202SC..Hα-helixtrans-55.4-40.8179.2-62.9-25.8000111.6N282 N290N282-D286 PolarHBondContact ND2-OD2 3.3Å; N282-D286 PolarHBondContact O-N 3.13Å; D286-N290 VanDerWaalsContact O-CB 3.28Å; D286-N290 WeakPolarHBondContact O-CB 3.19Å; D286-N290 PolarHBondContact O-N 3.27Å
287I98.7Very high98.5Very high41 Ų4147.6 Ų47.621%0.2123%0.233CC..Hα-helixtrans-65.4-47.5175.3-66.5162.4000111.1H283 L284 R285 D289 N290 Y291 F419 Y429 I437H283-I287 WeakPolarHBondContact O-CD1 3.43Å; H283-I287 VanDerWaalsContact O-CG1 3.28Å; H283-I287 WeakPolarHBondContact O-CG1 3.46Å; H283-I287 PolarHBondContact O-N 2.98Å; L284-I287 HydrophobicContact CD2-CD1 4.41Å; L284-I287 PolarHBondContact O-N 3.25Å; R285-I287 VanDerWaalsContact C-N 3.25Å; R285-I287 PolarHBondContact O-N 3.4Å; I287-D289 VanDerWaalsContact C-N 3.35Å; I287-N290 PolarHBondContact O-N 3.3Å; I287-Y291 PolarHBondContact O-N 2.89Å; I287-F419 HydrophobicContact CG2-CE2 3.99Å; I287-F419 HydrophobicContact CG2-CZ 3.95Å; I287-Y429 HydrophobicContact CD1-CD1 3.91Å; I287-Y429 HydrophobicContact CD1-CE1 3.69Å; I287-I437 HydrophobicContact CB-CD1 4.15Å; I287-I437 HydrophobicContact CB-CG1 4.36Å; I287-I437 HydrophobicContact CD1-CD1 4.19Å; I287-I437 HydrophobicContact CG2-CD1 3.67Å; I287-I437 HydrophobicContact CG2-CG1 4.15Å; I287-I437 HydrophobicContact CG2-CG2 4.31Å
288G98.7Very high98.5Very high0 Ų047.7 Ų47.70%023%0.233CC..Hα-helixtrans-63.5-39.9178.300000112.6L284 R285 Y291 R292L284-G288 PolarHBondContact O-N 2.75Å; L284-G288 VanDerWaalsContact O-N 3.14Å; R285-G288 CarbonylContact O-C 3.45Å; R285-G288 WeakPolarHBondContact O-CA 3.23Å; R285-G288 PolarHBondContact O-N 2.97Å; G288-Y291 WeakPolarHBondContact O-CB 3.4Å; G288-Y291 PolarHBondContact O-N 3.41Å; G288-R292 VanDerWaalsContact O-CG 3.32Å; G288-R292 WeakPolarHBondContact O-CG 3.4Å; G288-R292 PolarHBondContact O-N 3.22Å
289D98.8Very high98.5Very high38 Ų3850.2 Ų50.220%0.20325%0.247CC..Hα-helixtrans-66.8-45178.2-66.6-22.5000111.6R285 I287 Y291 R292 E293 W440R285-D289 WeakPolarHBondContact O-CB 3.45Å; R285-D289 PolarHBondContact O-N 3.03Å; I287-D289 VanDerWaalsContact C-N 3.35Å; D289-Y291 VanDerWaalsContact C-N 3.27Å; D289-Y291 PolarHBondContact O-N 3.04Å; D289-R292 WeakPolarHBondContact O-CB 3.34Å; D289-R292 PolarHBondContact O-N 3.37Å; D289-R292 IonicContact OD1-CZ 3.74Å; D289-R292 IonicContact OD1-NE 3.97Å; D289-R292 PolarHBondContact OD1-NE 2.62Å; D289-R292 IonicContact OD1-NH2 3.64Å; D289-R292 PolarHBondContact OD1-NH2 3.01Å; D289-E293 PolarHBondContact O-N 3.48Å; D289-W440 PolarHBondContact OD1-NE1 3.3Å
290N98.7Very high98.5Very high98 Ų9851.2 Ų51.252%0.52425%0.252SS..Hα-helixtrans-59.8-39.4173.3179.760.7000111.7D286 I287 T294D286-N290 VanDerWaalsContact O-CB 3.28Å; D286-N290 WeakPolarHBondContact O-CB 3.19Å; D286-N290 PolarHBondContact O-N 3.27Å; I287-N290 PolarHBondContact O-N 3.3Å; N290-T294 VanDerWaalsContact O-CB 3.23Å; N290-T294 WeakPolarHBondContact O-CB 3.31Å; N290-T294 PolarHBondContact O-N 2.65Å; N290-T294 PolarHBondContact O-OG1 2.78Å
291Y98.8Very high98.4Very high23 Ų2357.4 Ų57.49%0.0928%0.283CS..Hα-helixtrans-65.1-45.5175.3-171.2-82.4000111.9I287 G288 D289 E293 T294 Y295 L296 Y394 H418 F419 I441I287-Y291 PolarHBondContact O-N 2.89Å; G288-Y291 WeakPolarHBondContact O-CB 3.4Å; G288-Y291 PolarHBondContact O-N 3.41Å; D289-Y291 VanDerWaalsContact C-N 3.27Å; D289-Y291 PolarHBondContact O-N 3.04Å; Y291-E293 VanDerWaalsContact C-N 3.34Å; Y291-E293 PolarHBondContact O-N 3.47Å; Y291-T294 PolarHBondContact O-N 3.27Å; Y291-Y295 HydrophobicContact CD1-CD2 4.12Å; Y291-Y295 AromaticContact CD2-CD2 3.46Å; Y291-Y295 HydrophobicContact CD2-CD2 3.46Å; Y291-Y295 VanDerWaalsContact CD2-CD2 3.46Å; Y291-Y295 AromaticContact CD2-CE2 3.68Å; Y291-Y295 HydrophobicContact CD2-CE2 3.68Å; Y291-Y295 HydrophobicContact CE1-CD2 4.15Å; Y291-Y295 AromaticContact CE2-CD2 3.53Å; Y291-Y295 HydrophobicContact CE2-CD2 3.53Å; Y291-Y295 AromaticContact CE2-CE2 3.81Å; Y291-Y295 HydrophobicContact CE2-CE2 3.81Å; Y291-Y295 HydrophobicContact CE2-CG 4.35Å; Y291-Y295 AromaticContact CG-CD2 3.79Å; Y291-Y295 HydrophobicContact CG-CD2 3.79Å; Y291-Y295 HydrophobicContact CG-CE2 4.37Å; Y291-Y295 AromaticContact CZ-CD2 3.88Å; Y291-Y295 WeakPolarHBondContact O-CD2 3.4Å; Y291-Y295 PolarHBondContact O-N 2.8Å; Y291-L296 HydrophobicContact CD1-CD1 4.12Å; Y291-L296 HydrophobicContact CD1-CG 4.4Å; Y291-L296 HydrophobicContact CE1-CD1 4.07Å; Y291-L296 HydrophobicContact CE1-CG 4.2Å; Y291-Y394 HydrophobicContact CD1-CE2 4.26Å; Y291-Y394 AromaticContact CE1-CD2 3.86Å; Y291-Y394 HydrophobicContact CE1-CD2 3.86Å; Y291-Y394 AromaticContact CE1-CE2 3.55Å; Y291-Y394 HydrophobicContact CE1-CE2 3.55Å; Y291-H418 PolarHBondContact OH-O 2.71Å; Y291-F419 AromaticContact CD2-CD2 3.56Å; Y291-F419 HydrophobicContact CD2-CD2 3.56Å; Y291-F419 HydrophobicContact CD2-CE2 4.14Å; Y291-F419 HydrophobicContact CE2-CB 4.41Å; Y291-F419 AromaticContact CE2-CD2 3.83Å; Y291-F419 HydrophobicContact CE2-CD2 3.83Å; Y291-F419 HydrophobicContact CG-CD2 4.17Å; Y291-I441 HydrophobicContact CD1-CD1 3.63Å; Y291-I441 HydrophobicContact CD1-CG1 4.4Å; Y291-I441 HydrophobicContact CE1-CD1 4.29Å; Y291-I441 HydrophobicContact CG-CD1 3.92Å
292R98.8Very high98.3Very high2 Ų259.9 Ų59.91%0.00830%0.3CS..Hα-helixtrans-57.7-46176.6-74.9-170.6-49.5133.5-12.9111.8G288 D289 L296 H297 S298 D300 D303 I441 H444G288-R292 VanDerWaalsContact O-CG 3.32Å; G288-R292 WeakPolarHBondContact O-CG 3.4Å; G288-R292 PolarHBondContact O-N 3.22Å; D289-R292 WeakPolarHBondContact O-CB 3.34Å; D289-R292 PolarHBondContact O-N 3.37Å; D289-R292 IonicContact OD1-CZ 3.74Å; D289-R292 IonicContact OD1-NE 3.97Å; D289-R292 PolarHBondContact OD1-NE 2.62Å; D289-R292 IonicContact OD1-NH2 3.64Å; D289-R292 PolarHBondContact OD1-NH2 3.01Å; R292-L296 HydrophobicContact CG-CD1 4.41Å; R292-L296 CarbonylContact O-C 3.59Å; R292-L296 WeakPolarHBondContact O-CA 3.19Å; R292-L296 WeakPolarHBondContact O-CB 3.48Å; R292-L296 PolarHBondContact O-N 3.49Å; R292-H297 PolarHBondContact O-N 2.85Å; R292-S298 CarbonylContact C-O 3.59Å; R292-S298 VanDerWaalsContact C-O 3.26Å; R292-S298 PolarHBondContact NH1-OG 3.41Å; R292-S298 VanDerWaalsContact NH1-OG 3.14Å; R292-S298 PolarHBondContact O-N 3.22Å; R292-S298 VanDerWaalsContact O-N 3.17Å; R292-D300 IonicContact CZ-OD1 3.11Å; R292-D300 IonicContact NH1-OD1 3.52Å; R292-D300 PolarHBondContact NH1-OD1 3.17Å; R292-D300 IonicContact NH2-OD1 2.69Å; R292-D300 PolarHBondContact NH2-OD1 3Å; R292-D300 IonicContact NH2-OD2 2.81Å; R292-D303 IonicContact NH1-OD2 3.65Å; R292-D303 PolarHBondContact NH1-OD2 2.6Å; R292-I441 HydrophobicContact CG-CG1 4.29Å; R292-I441 HydrophobicContact CG-CG2 4.35Å; R292-H444 VanDerWaalsContact CZ-CD2 3.44Å; R292-H444 PolarHBondContact NH1-CD2 3.48Å; R292-H444 VanDerWaalsContact NH1-CD2 3.3Å
293E98.7Very high98.4Very high131 Ų13156 Ų5661%0.61228%0.279SS*.Hα-helixtrans-67.3-43.9-179.9-174.3171.2-155.400111.5D289 Y291 S298D289-E293 PolarHBondContact O-N 3.48Å; Y291-E293 VanDerWaalsContact C-N 3.34Å; Y291-E293 PolarHBondContact O-N 3.47Å; E293-S298 VanDerWaalsContact CA-O 3.29Å; E293-S298 WeakPolarHBondContact CA-O 3.45Å; E293-S298 PolarHBondContact N-O 3.18Å
294T98.6Very high98.4Very high73 Ų7357.2 Ų57.245%0.44828%0.281SS..Hα-helixtrans-71.4-39.8-174.6-58.80000113.1N290 Y291N290-T294 VanDerWaalsContact O-CB 3.23Å; N290-T294 WeakPolarHBondContact O-CB 3.31Å; N290-T294 PolarHBondContact O-N 2.65Å; N290-T294 PolarHBondContact O-OG1 2.78Å; Y291-T294 PolarHBondContact O-N 3.27Å
295Y98.5Very high98.3Very high118 Ų11857.2 Ų57.246%0.46328%0.281SS..Hα-helixtrans-118.1-23-166.9-59.3-70.1000114.8Y291 F417Y291-Y295 HydrophobicContact CD1-CD2 4.12Å; Y291-Y295 AromaticContact CD2-CD2 3.46Å; Y291-Y295 HydrophobicContact CD2-CD2 3.46Å; Y291-Y295 VanDerWaalsContact CD2-CD2 3.46Å; Y291-Y295 AromaticContact CD2-CE2 3.68Å; Y291-Y295 HydrophobicContact CD2-CE2 3.68Å; Y291-Y295 HydrophobicContact CE1-CD2 4.15Å; Y291-Y295 AromaticContact CE2-CD2 3.53Å; Y291-Y295 HydrophobicContact CE2-CD2 3.53Å; Y291-Y295 AromaticContact CE2-CE2 3.81Å; Y291-Y295 HydrophobicContact CE2-CE2 3.81Å; Y291-Y295 HydrophobicContact CE2-CG 4.35Å; Y291-Y295 AromaticContact CG-CD2 3.79Å; Y291-Y295 HydrophobicContact CG-CD2 3.79Å; Y291-Y295 HydrophobicContact CG-CE2 4.37Å; Y291-Y295 AromaticContact CZ-CD2 3.88Å; Y291-Y295 WeakPolarHBondContact O-CD2 3.4Å; Y291-Y295 PolarHBondContact O-N 2.8Å; Y295-F417 HydrophobicContact CD1-CE1 4.2Å; Y295-F417 HydrophobicContact CG-CD1 4.47Å; Y295-F417 HydrophobicContact CG-CE1 4.4Å; Y295-F417 WeakPolarHBondContact O-CZ 3.45Å
296L98.8Very high98.2Very high1 Ų157.2 Ų57.21%0.00529%0.287CS..SBendtrans-1187.2-168.5-53.4178.3000113.3Y291 R292 S298 Y335 T392 Y394 F417 I441Y291-L296 HydrophobicContact CD1-CD1 4.12Å; Y291-L296 HydrophobicContact CD1-CG 4.4Å; Y291-L296 HydrophobicContact CE1-CD1 4.07Å; Y291-L296 HydrophobicContact CE1-CG 4.2Å; R292-L296 HydrophobicContact CG-CD1 4.41Å; R292-L296 CarbonylContact O-C 3.59Å; R292-L296 WeakPolarHBondContact O-CA 3.19Å; R292-L296 WeakPolarHBondContact O-CB 3.48Å; R292-L296 PolarHBondContact O-N 3.49Å; L296-S298 PolarHBondContact O-N 3.27Å; L296-Y335 HydrophobicContact CB-CD1 3.81Å; L296-Y335 HydrophobicContact CB-CE1 4.06Å; L296-Y335 HydrophobicContact CB-CG 4.26Å; L296-Y335 HydrophobicContact CD1-CD1 4.22Å; L296-Y335 HydrophobicContact CD1-CD2 4.03Å; L296-Y335 HydrophobicContact CD1-CE1 4.01Å; L296-Y335 HydrophobicContact CD1-CE2 3.79Å; L296-Y335 HydrophobicContact CD1-CG 4.24Å; L296-T392 HydrophobicContact CD2-CG2 3.9Å; L296-Y394 HydrophobicContact CD1-CD2 4.01Å; L296-Y394 HydrophobicContact CD1-CG 4.42Å; L296-F417 HydrophobicContact CD2-CB 3.94Å; L296-F417 HydrophobicContact CD2-CD1 4.46Å; L296-F417 HydrophobicContact CD2-CD2 3.79Å; L296-F417 HydrophobicContact CD2-CE2 4.43Å; L296-F417 HydrophobicContact CD2-CG 3.8Å; L296-I441 HydrophobicContact CD1-CG2 3.62Å
297H97.9Very high98Very high146 Ų14655.8 Ų55.868%0.67628%0.283SS*.  trans50.139.6-177-59.8-61000112.8R292 P334R292-H297 PolarHBondContact O-N 2.85Å; H297-P334 HydrophobicContact CB-CG 4.12Å; H297-P334 VanDerWaalsContact O-CD 3.29Å; H297-P334 WeakPolarHBondContact O-CD 3.34Å
298S98.7Very high97.8Very high1 Ų154.2 Ų54.21%0.00728%0.276CS..  trans-124132.8-169.2165.20000110.3R292 E293 L296 D303R292-S298 CarbonylContact C-O 3.59Å; R292-S298 VanDerWaalsContact C-O 3.26Å; R292-S298 PolarHBondContact NH1-OG 3.41Å; R292-S298 VanDerWaalsContact NH1-OG 3.14Å; R292-S298 PolarHBondContact O-N 3.22Å; R292-S298 VanDerWaalsContact O-N 3.17Å; E293-S298 VanDerWaalsContact CA-O 3.29Å; E293-S298 WeakPolarHBondContact CA-O 3.45Å; E293-S298 PolarHBondContact N-O 3.18Å; L296-S298 PolarHBondContact O-N 3.27Å; S298-D303 WeakPolarHBondContact CB-OD2 3.19Å; S298-D303 PolarHBondContact OG-OD2 3.48Å
299N98.5Very high97.6Very high59 Ų5958 Ų5832%0.31630%0.302SS..  trans-154.6159.3172.56779.2000110.2I301 S302 D303N299-I301 PolarHBondContact O-N 3.45Å; N299-I301 VanDerWaalsContact O-N 3.08Å; N299-I301 WeakPolarHBondContact OD1-CB 3.49Å; N299-I301 PolarHBondContact OD1-N 3.48Å; N299-I301 VanDerWaalsContact OD1-N 3.1Å; N299-S302 VanDerWaalsContact CG-OG 3.32Å; N299-S302 PolarHBondContact ND2-OG 2.7Å; N299-S302 PolarHBondContact O-N 2.8Å; N299-S302 PolarHBondContact O-OG 3.4Å; N299-S302 VanDerWaalsContact O-OG 3.12Å; N299-S302 PolarHBondContact OD1-N 3.46Å; N299-S302 PolarHBondContact OD1-OG 3.28Å; N299-D303 PolarHBondContact N-OD2 2.9Å; N299-D303 VanDerWaalsContact N-OD2 3.12Å; N299-D303 WeakPolarHBondContact O-CB 3.44Å; N299-D303 PolarHBondContact O-N 3.5Å; N299-D303 VanDerWaalsContact O-OD1 3.13Å
300D97.9Very high97.5Very high42 Ų4259.7 Ų59.723%0.22531%0.311CS..THydrogen-bonded Turntrans-62.5-25.9-170.6-72.7-19000115.6R292 R304 T305 V306 H444R292-D300 IonicContact CZ-OD1 3.11Å; R292-D300 IonicContact NH1-OD1 3.52Å; R292-D300 PolarHBondContact NH1-OD1 3.17Å; R292-D300 IonicContact NH2-OD1 2.69Å; R292-D300 PolarHBondContact NH2-OD1 3Å; R292-D300 IonicContact NH2-OD2 2.81Å; D300-R304 PolarHBondContact O-N 2.83Å; D300-T305 WeakPolarHBondContact CA-OG1 3.43Å; D300-T305 WeakPolarHBondContact CB-O 3.23Å; D300-T305 CarbonylContact O-C 3.57Å; D300-T305 PolarHBondContact O-N 3.29Å; D300-T305 PolarHBondContact OD1-OG1 3.49Å; D300-V306 HydrophobicContact CB-CG2 4.15Å; D300-V306 WeakPolarHBondContact O-CG2 3.03Å; D300-V306 PolarHBondContact O-N 3.25Å; D300-H444 IonicContact OD1-CD2 2.94Å; D300-H444 IonicContact OD1-NE2 2.68Å
301I97.1Very high97.3Very high134 Ų13455.2 Ų55.269%0.68729%0.287SS*.THydrogen-bonded Turntrans-74.4-53.3-179.6-59172.9000109.8N299 D303 R304 V306N299-I301 PolarHBondContact O-N 3.45Å; N299-I301 VanDerWaalsContact O-N 3.08Å; N299-I301 WeakPolarHBondContact OD1-CB 3.49Å; N299-I301 PolarHBondContact OD1-N 3.48Å; N299-I301 VanDerWaalsContact OD1-N 3.1Å; I301-D303 VanDerWaalsContact C-N 3.26Å; I301-D303 PolarHBondContact O-N 3.32Å; I301-R304 PolarHBondContact O-N 3.14Å; I301-V306 HydrophobicContact CG1-CG2 4.27Å
302S96.8Very high97Very high57 Ų5762.6 Ų62.640%0.39932%0.322SS..THydrogen-bonded Turntrans-65.3-33.5177.9540000112.1N299 R304N299-S302 VanDerWaalsContact CG-OG 3.32Å; N299-S302 PolarHBondContact ND2-OG 2.7Å; N299-S302 PolarHBondContact O-N 2.8Å; N299-S302 PolarHBondContact O-OG 3.4Å; N299-S302 VanDerWaalsContact O-OG 3.12Å; N299-S302 PolarHBondContact OD1-N 3.46Å; N299-S302 PolarHBondContact OD1-OG 3.28Å; S302-R304 VanDerWaalsContact C-N 3.3Å; S302-R304 PolarHBondContact O-N 3.38Å
303D98.3Very high96.8Very high3 Ų369.6 Ų69.62%0.01636%0.355CS..THydrogen-bonded Turntrans-88.4-3.8-171.5-57.50.3000112R292 S298 N299 I301 T305 L331 G332 G333R292-D303 IonicContact NH1-OD2 3.65Å; R292-D303 PolarHBondContact NH1-OD2 2.6Å; S298-D303 WeakPolarHBondContact CB-OD2 3.19Å; S298-D303 PolarHBondContact OG-OD2 3.48Å; N299-D303 PolarHBondContact N-OD2 2.9Å; N299-D303 VanDerWaalsContact N-OD2 3.12Å; N299-D303 WeakPolarHBondContact O-CB 3.44Å; N299-D303 PolarHBondContact O-N 3.5Å; N299-D303 VanDerWaalsContact O-OD1 3.13Å; I301-D303 VanDerWaalsContact C-N 3.26Å; I301-D303 PolarHBondContact O-N 3.32Å; D303-T305 HydrophobicContact CB-CG2 4.38Å; D303-T305 PolarHBondContact O-N 2.74Å; D303-L331 WeakPolarHBondContact O-CA 3.3Å; D303-L331 WeakPolarHBondContact O-CB 3.34Å; D303-L331 PolarHBondContact O-N 2.61Å; D303-G332 PolarHBondContact O-N 3.31Å; D303-G333 WeakPolarHBondContact OD1-CA 3.5Å; D303-G333 VanDerWaalsContact OD2-CA 3.28Å; D303-G333 WeakPolarHBondContact OD2-CA 3.18Å; D303-G333 PolarHBondContact OD2-N 3.22Å
304R97.9Very high96.7Very high98 Ų9866.7 Ų66.737%0.3734%0.343SS..THydrogen-bonded Turntrans56.432.1-174.9-63.817854.6173.5-0.5112.8D300 I301 S302 L327 S328 P329 L331D300-R304 PolarHBondContact O-N 2.83Å; I301-R304 PolarHBondContact O-N 3.14Å; S302-R304 VanDerWaalsContact C-N 3.3Å; S302-R304 PolarHBondContact O-N 3.38Å; R304-L327 HydrophobicContact CB-CB 3.77Å; R304-L327 HydrophobicContact CB-CD1 4.44Å; R304-L327 HydrophobicContact CG-CB 4.21Å; R304-L327 HydrophobicContact CG-CD1 4.46Å; R304-L327 PolarHBondContact NE-O 3.26Å; R304-L327 PolarHBondContact NH2-O 2.93Å; R304-S328 PolarHBondContact NH2-O 3.33Å; R304-P329 PolarHBondContact NE-O 3.24Å; R304-P329 PolarHBondContact NH2-O 3.45Å; R304-L331 HydrophobicContact CB-CB 4.29Å; R304-L331 HydrophobicContact CG-CB 4.38Å
305T96.9Very high96.5Very high0 Ų064.1 Ų64.10%033%0.331CS..  trans-110.234.4176.753.80000110.6D300 D303 S307 W325 A330 H444 M467 F469D300-T305 WeakPolarHBondContact CA-OG1 3.43Å; D300-T305 WeakPolarHBondContact CB-O 3.23Å; D300-T305 CarbonylContact O-C 3.57Å; D300-T305 PolarHBondContact O-N 3.29Å; D300-T305 PolarHBondContact OD1-OG1 3.49Å; D303-T305 HydrophobicContact CB-CG2 4.38Å; D303-T305 PolarHBondContact O-N 2.74Å; T305-S307 PolarHBondContact O-N 3.49Å; T305-W325 WeakPolarHBondContact O-CZ3 3.21Å; T305-A330 HydrophobicContact CG2-CB 3.85Å; T305-H444 PolarHBondContact OG1-CD2 2.73Å; T305-M467 HydrophobicContact CG2-SD 4.29Å; T305-F469 HydrophobicContact CG2-CE2 3.76Å; T305-F469 HydrophobicContact CG2-CZ 3.7Å
306V96.6Very high96.4Very high54 Ų5462.8 Ų62.833%0.32734%0.337SS..PPolyproline II helixtrans-67.6117.9171.2-179.60000108.8D300 I301 P326 L327D300-V306 HydrophobicContact CB-CG2 4.15Å; D300-V306 WeakPolarHBondContact O-CG2 3.03Å; D300-V306 PolarHBondContact O-N 3.25Å; I301-V306 HydrophobicContact CG1-CG2 4.27Å; V306-P326 WeakPolarHBondContact O-CD 3.42Å; V306-L327 HydrophobicContact CB-CD1 4.36Å; V306-L327 HydrophobicContact CG2-CD1 4.02Å
307S94.2Very high96.2Very high52 Ų5263 Ų6336%0.36434%0.339SS..PPolyproline II helixtrans-56.2144.3177170.50000111.3T305T305-S307 PolarHBondContact O-N 3.49Å
308P95.3Very high96.2Very high8 Ų856 Ų565%0.05231%0.307CS..PPolyproline II helixtrans-53.7152.9171.3-19.126.6000112.2N319 R322 W325P308-N319 WeakPolarHBondContact O-CB 3.46Å; P308-N319 PolarHBondContact O-ND2 3.11Å; P308-R322 HydrophobicContact CB-CB 3.6Å; P308-R322 HydrophobicContact CB-CG 3.6Å; P308-R322 HydrophobicContact CG-CB 4.08Å; P308-W325 HydrophobicContact CG-CG 4.23Å
309S94.1Very high96.1Very high79 Ų7958.1 Ų58.155%0.55232%0.318SS*.PPolyproline II helixtrans-72.8151.8174.660.20000112.2R322S309-R322 PolarHBondContact O-NE 2.92Å
310I95.6Very high96Very high75 Ų7556.2 Ų56.239%0.38531%0.306SS..PPolyproline II helixtrans-55.6152.3171.562169.6000110.5E312 N319 R322I310-E312 PolarHBondContact O-N 3.47Å; I310-N319 WeakPolarHBondContact CG2-ND2 3.49Å; I310-N319 WeakPolarHBondContact CG2-OD1 3.37Å; I310-N319 PolarHBondContact N-ND2 3.33Å; I310-R322 PolarHBondContact O-NH2 2.87Å; I310-R322 VanDerWaalsContact O-NH2 3.11Å
311V95.2Very high95.9Very high3 Ų354.7 Ų54.72%0.01830%0.298CS..  trans-86.9104.3166.8-179.20000106.5H313 L314 G315 S318 I515V311-H313 VanDerWaalsContact C-N 3.27Å; V311-H313 WeakPolarHBondContact CG1-CE1 3.43Å; V311-H313 PolarHBondContact O-N 2.65Å; V311-H313 VanDerWaalsContact O-N 3.09Å; V311-L314 HydrophobicContact CB-CB 4.2Å; V311-L314 HydrophobicContact CB-CD1 4.07Å; V311-L314 HydrophobicContact CB-CG 4.25Å; V311-L314 HydrophobicContact CG1-CB 4.27Å; V311-L314 HydrophobicContact CG1-CD1 3.82Å; V311-L314 HydrophobicContact CG1-CG 3.85Å; V311-L314 PolarHBondContact O-N 3.16Å; V311-G315 PolarHBondContact O-N 3.42Å; V311-G315 VanDerWaalsContact O-N 3.1Å; V311-S318 PolarHBondContact N-OG 3.41Å; V311-S318 PolarHBondContact O-OG 2.81Å; V311-I515 HydrophobicContact CB-CD1 4.37Å; V311-I515 HydrophobicContact CG1-CD1 3.76Å; V311-I515 HydrophobicContact CG2-CD1 3.83Å
312E93.5Very high95.9Very high178 Ų17850.2 Ų50.283%0.83227%0.272SS*.THydrogen-bonded Turntrans-48.4-44-168.4-66.2177.5175.200114.1I310 L314 G315I310-E312 PolarHBondContact O-N 3.47Å; E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 3.44Å; E312-G315 PolarHBondContact O-N 3.01Å
313H94.7Very high95.3Very high150 Ų15048.9 Ų48.969%0.69426%0.263SS*.THydrogen-bonded Turntrans-76.6-10.5-178.669-90.1000114.6V311V311-H313 VanDerWaalsContact C-N 3.27Å; V311-H313 WeakPolarHBondContact CG1-CE1 3.43Å; V311-H313 PolarHBondContact O-N 2.65Å; V311-H313 VanDerWaalsContact O-N 3.09Å
314L95.5Very high94.8Very high69 Ų6954.7 Ų54.736%0.36129%0.29SS..THydrogen-bonded Turntrans-102.6-17175.4-60.5-179.9000112.5L110 V311 E312 L321 I515L110-L314 HydrophobicContact CD2-CB 4.15Å; V311-L314 HydrophobicContact CB-CB 4.2Å; V311-L314 HydrophobicContact CB-CD1 4.07Å; V311-L314 HydrophobicContact CB-CG 4.25Å; V311-L314 HydrophobicContact CG1-CB 4.27Å; V311-L314 HydrophobicContact CG1-CD1 3.82Å; V311-L314 HydrophobicContact CG1-CG 3.85Å; V311-L314 PolarHBondContact O-N 3.16Å; E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 3.44Å; L314-L321 HydrophobicContact CD1-CD1 3.32Å; L314-I515 HydrophobicContact CD1-CD1 3.98Å
315G94.5Very high94.4Very high19 Ų1951.4 Ų51.420%0.19628%0.278CS..  trans81.8-160.817400000114.7V311 E312 S318V311-G315 PolarHBondContact O-N 3.42Å; V311-G315 VanDerWaalsContact O-N 3.1Å; E312-G315 PolarHBondContact O-N 3.01Å; G315-S318 WeakPolarHBondContact O-CB 3.38Å; G315-S318 PolarHBondContact O-OG 3.2Å
316P95.8Very high94Very high91 Ų9155.5 Ų55.559%0.59130%0.304SS*.THydrogen-bonded Turntrans-57.7150.9-179-2434.8000113.3S318P316-S318 PolarHBondContact O-N 3.22Å
317G95.5Very high93.7Very high5 Ų556.2 Ų56.25%0.05231%0.306CS..THydrogen-bonded Turntrans78.3-5.4-178.600000114.8S107 N319S107-G317 WeakPolarHBondContact OG-CA 2.98Å; S107-G317 PolarHBondContact OG-O 2.97Å; G317-N319 VanDerWaalsContact C-N 3.3Å; G317-N319 PolarHBondContact O-N 2.93Å
318S97.5Very high93.4Very high0 Ų055.9 Ų55.90%030%0.303CS..G310 helixtrans-81.60.5-17662.40000115.8L110 V311 G315 P316 W320 L321L110-S318 VanDerWaalsContact CD1-CA 3.4Å; V311-S318 PolarHBondContact N-OG 3.41Å; V311-S318 PolarHBondContact O-OG 2.81Å; G315-S318 WeakPolarHBondContact O-CB 3.38Å; G315-S318 PolarHBondContact O-OG 3.2Å; P316-S318 PolarHBondContact O-N 3.22Å; S318-W320 PolarHBondContact O-N 3.09Å; S318-L321 WeakPolarHBondContact O-CB 3.33Å; S318-L321 PolarHBondContact O-N 2.77Å
319N96.1Very high93.4Very high44 Ų4458 Ų5824%0.23532%0.317CS..G310 helixtrans-57.3-37.7-179.1-49.472.7000111.8P308 I310 G317 L321 R322P308-N319 WeakPolarHBondContact O-CB 3.46Å; P308-N319 PolarHBondContact O-ND2 3.11Å; I310-N319 WeakPolarHBondContact CG2-ND2 3.49Å; I310-N319 WeakPolarHBondContact CG2-OD1 3.37Å; I310-N319 PolarHBondContact N-ND2 3.33Å; G317-N319 VanDerWaalsContact C-N 3.3Å; G317-N319 PolarHBondContact O-N 2.93Å; N319-L321 PolarHBondContact O-N 3.23Å; N319-R322 WeakPolarHBondContact O-CB 3.33Å; N319-R322 WeakPolarHBondContact O-CG 3.26Å; N319-R322 PolarHBondContact O-N 3.48Å; N319-R322 VanDerWaalsContact O-N 3.15Å
320W96.5Very high93.5Very high19 Ų1954.6 Ų54.67%0.07229%0.294CS..G310 helixtrans-66-21.5-175.774.7-100.4000113.4S107 L110 F111 T273 R276 T279 S318 R322 Y513S107-W320 PolarHBondContact O-NE1 2.73Å; L110-W320 HydrophobicContact CB-CZ2 4.12Å; F111-W320 HydrophobicContact CB-CH2 4.27Å; F111-W320 HydrophobicContact CB-CZ2 4.18Å; T273-W320 HydrophobicContact CG2-CH2 4.24Å; T273-W320 HydrophobicContact CG2-CZ3 4.32Å; T273-W320 WeakPolarHBondContact O-CZ3 3.47Å; R276-W320 HydrophobicContact CB-CD2 4.43Å; R276-W320 HydrophobicContact CB-CE3 3.64Å; R276-W320 HydrophobicContact CB-CZ3 4.24Å; R276-W320 PolarHBondContact NE-O 3.49Å; R276-W320 PolarHBondContact NH2-O 3.37Å; R276-W320 WeakPolarHBondContact O-CB 3.28Å; T279-W320 HydrophobicContact CG2-CB 4.03Å; T279-W320 HydrophobicContact CG2-CG 4.45Å; S318-W320 PolarHBondContact O-N 3.09Å; W320-R322 PolarHBondContact O-N 3.36Å; W320-Y513 HydrophobicContact CH2-CD1 4.13Å; W320-Y513 HydrophobicContact CH2-CG 4.45Å
321L97.4Very high93.6Very high10 Ų1054.4 Ų54.45%0.05229%0.294CS..G310 helixtrans-70.1-12.1177.5-68.4168000112.6L110 L314 S318 N319 Y513 T514 I515L110-L321 HydrophobicContact CD1-CD1 4.14Å; L314-L321 HydrophobicContact CD1-CD1 3.32Å; S318-L321 WeakPolarHBondContact O-CB 3.33Å; S318-L321 PolarHBondContact O-N 2.77Å; N319-L321 PolarHBondContact O-N 3.23Å; L321-Y513 HydrophobicContact CD2-CD1 4.4Å; L321-Y513 WeakPolarHBondContact CD2-O 3.34Å; L321-T514 CarbonylContact O-C 3.35Å; L321-T514 VanDerWaalsContact O-CA 3.28Å; L321-T514 WeakPolarHBondContact O-CA 3.36Å; L321-I515 HydrophobicContact CB-CD1 4.49Å; L321-I515 PolarHBondContact O-N 3.48Å
322R95.6Very high93.8Very high40 Ų4054.3 Ų54.315%0.15129%0.293CS..BIsolated β-bridgetrans-72.1140.2176.6-59.9-62.9-169.6173.90.3110.8R276 P308 S309 I310 N319 W320 Q324 I515R276-R322 PolarHBondContact NH2-O 3.45Å; P308-R322 HydrophobicContact CB-CB 3.6Å; P308-R322 HydrophobicContact CB-CG 3.6Å; P308-R322 HydrophobicContact CG-CB 4.08Å; S309-R322 PolarHBondContact O-NE 2.92Å; I310-R322 PolarHBondContact O-NH2 2.87Å; I310-R322 VanDerWaalsContact O-NH2 3.11Å; N319-R322 WeakPolarHBondContact O-CB 3.33Å; N319-R322 WeakPolarHBondContact O-CG 3.26Å; N319-R322 PolarHBondContact O-N 3.48Å; N319-R322 VanDerWaalsContact O-N 3.15Å; W320-R322 PolarHBondContact O-N 3.36Å; R322-Q324 VanDerWaalsContact C-N 3.3Å; R322-Q324 PolarHBondContact O-N 3.09Å; R322-I515 WeakPolarHBondContact CA-O 3.46Å
323S85.3Confident94Very high29 Ų2945.8 Ų45.820%0.20325%0.253CS..SBendtrans-65.1-26.5-174.256.70000114.7Y509 T514 I515S323-Y509 WeakPolarHBondContact O-CE1 3.49Å; S323-Y509 PolarHBondContact O-OH 3.15Å; S323-T514 VanDerWaalsContact CB-CG2 3.44Å; S323-I515 PolarHBondContact N-O 3.32Å
324Q86.4Confident94.2Very high125 Ų12541 Ų4158%0.58424%0.235SC*.SBendtrans-154.6157.5-178.7-67.3-174.7-15.900110.4R322R322-Q324 VanDerWaalsContact C-N 3.3Å; R322-Q324 PolarHBondContact O-N 3.09Å
325W90.5Very high94.4Very high29 Ų2937.7 Ų37.711%0.1122%0.218CC..  trans-69.8132.3166.7-75.854.9000109.4T305 P308 L327 S328 I466 M467T305-W325 WeakPolarHBondContact O-CZ3 3.21Å; P308-W325 HydrophobicContact CG-CG 4.23Å; W325-L327 PolarHBondContact O-N 3.28Å; W325-S328 WeakPolarHBondContact O-CB 3.23Å; W325-S328 PolarHBondContact O-N 3.04Å; W325-I466 PolarHBondContact NE1-O 3.12Å; W325-M467 HydrophobicContact CD2-CB 4.19Å; W325-M467 HydrophobicContact CD2-CG 3.92Å; W325-M467 HydrophobicContact CE3-CB 4.36Å; W325-M467 HydrophobicContact CE3-CG 3.98Å; W325-M467 HydrophobicContact CE3-SD 4.49Å; W325-M467 HydrophobicContact CH2-CG 3.54Å; W325-M467 HydrophobicContact CH2-SD 3.71Å; W325-M467 HydrophobicContact CZ2-CG 3.48Å; W325-M467 VanDerWaalsContact CZ2-CG 3.48Å; W325-M467 HydrophobicContact CZ2-SD 4.25Å; W325-M467 HydrophobicContact CZ3-CG 3.75Å; W325-M467 HydrophobicContact CZ3-SD 3.82Å
326P89.1Confident94.6Very high86 Ų8636.9 Ų36.956%0.55821%0.209SC*.THydrogen-bonded Turntrans-55.3-29.7-169.7-2833.1000115.4V306V306-P326 WeakPolarHBondContact O-CD 3.42Å
327L89.9Confident94.7Very high70 Ų7032.5 Ų32.537%0.36618%0.181SC..THydrogen-bonded Turntrans-110.320.2-176.7-56.3-179.7000112.5R304 V306 W325 P329R304-L327 HydrophobicContact CB-CB 3.77Å; R304-L327 HydrophobicContact CB-CD1 4.44Å; R304-L327 HydrophobicContact CG-CB 4.21Å; R304-L327 HydrophobicContact CG-CD1 4.46Å; R304-L327 PolarHBondContact NE-O 3.26Å; R304-L327 PolarHBondContact NH2-O 2.93Å; V306-L327 HydrophobicContact CB-CD1 4.36Å; V306-L327 HydrophobicContact CG2-CD1 4.02Å; W325-L327 PolarHBondContact O-N 3.28Å; L327-P329 CarbonylContact O-C 3.59Å; L327-P329 VanDerWaalsContact O-O 3.08Å
328S87.6Confident94.9Very high44 Ų4432.3 Ų32.331%0.30818%0.178SC..PPolyproline II helixtrans-60.5145.1175.4-1790000112.2R304 W325R304-S328 PolarHBondContact NH2-O 3.33Å; W325-S328 WeakPolarHBondContact O-CB 3.23Å; W325-S328 PolarHBondContact O-N 3.04Å
329P94.4Very high94.9Very high53 Ų5332.5 Ų32.534%0.34418%0.179SC..SBendcis-66.4138-3.529.1-34.9000111.7R304 L327 G468 L470R304-P329 PolarHBondContact NE-O 3.24Å; R304-P329 PolarHBondContact NH2-O 3.45Å; L327-P329 CarbonylContact O-C 3.59Å; L327-P329 VanDerWaalsContact O-O 3.08Å; P329-G468 VanDerWaalsContact CA-O 3.23Å; P329-G468 WeakPolarHBondContact CA-O 3.25Å; P329-L470 HydrophobicContact CB-CD2 3.87Å; P329-L470 HydrophobicContact CB-CG 4Å; P329-L470 HydrophobicContact CG-CD2 4.48Å
330A97.1Very high95Very high8 Ų830.5 Ų30.57%0.06617%0.168CC..BIsolated β-bridgetrans-65.1141.8175.700000109.8T305 G468 F469T305-A330 HydrophobicContact CG2-CB 3.85Å; A330-G468 PolarHBondContact N-O 2.96Å; A330-F469 HydrophobicContact CB-CD1 4.02Å; A330-F469 HydrophobicContact CB-CD2 3.54Å; A330-F469 HydrophobicContact CB-CE1 3.96Å; A330-F469 HydrophobicContact CB-CE2 3.43Å; A330-F469 VanDerWaalsContact CB-CE2 3.43Å; A330-F469 HydrophobicContact CB-CG 3.84Å; A330-F469 HydrophobicContact CB-CZ 3.67Å
331L98.1Very high94.8Very high71 Ų7131.7 Ų31.737%0.37217%0.173SC..  trans-93.4-42.9-179.517962.9000110.9D303 R304 R446D303-L331 WeakPolarHBondContact O-CA 3.3Å; D303-L331 WeakPolarHBondContact O-CB 3.34Å; D303-L331 PolarHBondContact O-N 2.61Å; R304-L331 HydrophobicContact CB-CB 4.29Å; R304-L331 HydrophobicContact CG-CB 4.38Å; L331-R446 WeakPolarHBondContact O-CD 3.38Å; L331-R446 PolarHBondContact O-NE 2.81Å
332G98.6Very high94.6Very high0 Ų032 Ų320%017%0.174CC..  trans77.2155.8-173.200000113.7D303 H444 R446D303-G332 PolarHBondContact O-N 3.31Å; G332-H444 CarbonylContact C-O 3.6Å; G332-H444 WeakPolarHBondContact CA-O 3.22Å; G332-R446 PolarHBondContact O-NE 3.14Å; G332-R446 VanDerWaalsContact O-NE 3.13Å; G332-R446 PolarHBondContact O-NH2 3.11Å; G332-R446 VanDerWaalsContact O-NH2 3.17Å
333G98.6Very high94Very high0 Ų030.5 Ų30.50%017%0.17CC..EExtended strand (participates in β ladder)trans-68.1158.4-178.400000112.8D303 Y335 H444 R446D303-G333 WeakPolarHBondContact OD1-CA 3.5Å; D303-G333 VanDerWaalsContact OD2-CA 3.28Å; D303-G333 WeakPolarHBondContact OD2-CA 3.18Å; D303-G333 PolarHBondContact OD2-N 3.22Å; G333-Y335 PolarHBondContact O-N 3.2Å; G333-H444 PolarHBondContact N-O 2.88Å; G333-R446 WeakPolarHBondContact O-CA 3.43Å; G333-R446 WeakPolarHBondContact O-CB 3.2Å; G333-R446 PolarHBondContact O-N 3.25Å
334P98.3Very high93.6Very high49 Ų4931.5 Ų31.532%0.31817%0.174SC..EExtended strand (participates in β ladder)trans-76.353.2-17034.7-38.2000113.2H297H297-P334 HydrophobicContact CB-CG 4.12Å; H297-P334 VanDerWaalsContact O-CD 3.29Å; H297-P334 WeakPolarHBondContact O-CD 3.34Å
335Y98.9Very high93.2Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-143.2157.1176.265.2-78.9000110.6L296 G333 A337 T392 I441 A445 R446L296-Y335 HydrophobicContact CB-CD1 3.81Å; L296-Y335 HydrophobicContact CB-CE1 4.06Å; L296-Y335 HydrophobicContact CB-CG 4.26Å; L296-Y335 HydrophobicContact CD1-CD1 4.22Å; L296-Y335 HydrophobicContact CD1-CD2 4.03Å; L296-Y335 HydrophobicContact CD1-CE1 4.01Å; L296-Y335 HydrophobicContact CD1-CE2 3.79Å; L296-Y335 HydrophobicContact CD1-CG 4.24Å; G333-Y335 PolarHBondContact O-N 3.2Å; Y335-A337 HydrophobicContact CD2-CB 4.49Å; Y335-A337 HydrophobicContact CE2-CB 4.2Å; Y335-T392 CarbonylContact C-O 3.55Å; Y335-T392 VanDerWaalsContact CA-O 3.25Å; Y335-T392 WeakPolarHBondContact CA-O 3.26Å; Y335-T392 WeakPolarHBondContact CB-O 3.38Å; Y335-I441 HydrophobicContact CE2-CG2 4.12Å; Y335-I441 PolarHBondContact OH-O 3.23Å; Y335-A445 HydrophobicContact CD2-CB 3.78Å; Y335-A445 HydrophobicContact CE1-CB 4.46Å; Y335-A445 HydrophobicContact CE2-CB 3.4Å; Y335-A445 HydrophobicContact CG-CB 4.47Å; Y335-A445 VanDerWaalsContact CZ-CA 3.5Å; Y335-A445 PolarHBondContact OH-N 2.52Å; Y335-R446 PolarHBondContact O-N 2.8Å
336V98.9Very high92.3Very high1 Ų126.1 Ų26.11%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-98.8124.1169.7-177.90000108.6V338 V379 F382 I390 T392 I393 Y394 Y447 I449V336-V338 HydrophobicContact CG1-CG2 4.3Å; V336-V379 HydrophobicContact CG2-CG2 4.28Å; V336-F382 HydrophobicContact CG1-CD2 4.45Å; V336-F382 HydrophobicContact CG1-CE2 4.26Å; V336-F382 HydrophobicContact CG2-CD2 4.23Å; V336-I390 HydrophobicContact CG2-CG2 4.05Å; V336-T392 PolarHBondContact N-O 2.72Å; V336-I393 HydrophobicContact CB-CD1 3.76Å; V336-I393 HydrophobicContact CG2-CD1 4.24Å; V336-I393 CarbonylContact O-C 3.44Å; V336-I393 VanDerWaalsContact O-CA 3.32Å; V336-I393 WeakPolarHBondContact O-CA 3.28Å; V336-Y394 PolarHBondContact O-N 2.67Å; V336-Y447 CarbonylContact C-O 3.55Å; V336-Y447 WeakPolarHBondContact CA-O 3.49Å; V336-Y447 HydrophobicContact CG2-CD2 4.26Å; V336-I449 HydrophobicContact CG1-CD1 3.97Å; V336-I449 HydrophobicContact CG1-CG1 4.23Å
337A99Very high91.1Very high0 Ų026.9 Ų26.90%015%0.154CC..EExtended strand (participates in β ladder)trans-91.4133.7171.500000110.8Y335 Y394 C442 A445 Y447 F448 I449Y335-A337 HydrophobicContact CD2-CB 4.49Å; Y335-A337 HydrophobicContact CE2-CB 4.2Å; A337-Y394 CarbonylContact C-O 3.52Å; A337-Y394 WeakPolarHBondContact CA-O 3.43Å; A337-C442 HydrophobicContact CB-CB 3.97Å; A337-A445 HydrophobicContact CB-CB 3.38Å; A337-Y447 PolarHBondContact N-O 3.4Å; A337-F448 HydrophobicContact CB-CD2 4.01Å; A337-F448 CarbonylContact O-C 3.46Å; A337-F448 WeakPolarHBondContact O-CA 3.41Å; A337-I449 PolarHBondContact O-N 3.23Å
338V98.9Very high89.6Confident0 Ų025.7 Ų25.70%015%0.15CC..EExtended strand (participates in β ladder)trans-124.3118.4176.2-1720000108.9V336 I375 I393 Y394 L395 A396 I449 L478V336-V338 HydrophobicContact CG1-CG2 4.3Å; V338-I375 HydrophobicContact CB-CD1 4.49Å; V338-I375 HydrophobicContact CG1-CD1 3.93Å; V338-I375 HydrophobicContact CG1-CG1 4.09Å; V338-I375 HydrophobicContact CG2-CD1 4.28Å; V338-I375 HydrophobicContact CG2-CG1 4.14Å; V338-I375 HydrophobicContact CG2-CG2 4.37Å; V338-I393 HydrophobicContact CG2-CG2 3.96Å; V338-Y394 PolarHBondContact N-O 3.22Å; V338-L395 HydrophobicContact CB-CD2 3.76Å; V338-L395 HydrophobicContact CG1-CD2 4.42Å; V338-L395 HydrophobicContact CG2-CD2 4.22Å; V338-L395 WeakPolarHBondContact O-CA 3.07Å; V338-A396 PolarHBondContact O-N 3.41Å; V338-I449 CarbonylContact C-O 3.55Å; V338-I449 VanDerWaalsContact CA-O 3.32Å; V338-I449 WeakPolarHBondContact CA-O 3.27Å; V338-I449 HydrophobicContact CG1-CB 4.25Å; V338-I449 HydrophobicContact CG1-CG2 4.34Å; V338-I449 HydrophobicContact CG2-CB 4.26Å; V338-I449 HydrophobicContact CG2-CD1 4.16Å; V338-L478 HydrophobicContact CG1-CD1 3.9Å; V338-L478 HydrophobicContact CG1-CG 4.47Å
339H98.3Very high87.7Confident5 Ų527.9 Ų27.92%0.02317%0.165CC..EExtended strand (participates in β ladder)trans-93.2109.1165.6170-115.8000109.8A396 F448 I449 G450 T451 S454 F456 T457 I460H339-A396 CarbonylContact C-O 3.21Å; H339-A396 WeakPolarHBondContact CA-O 3.41Å; H339-A396 HydrophobicContact CB-CB 4.44Å; H339-A396 PolarHBondContact CD2-O 3.26Å; H339-F448 HydrophobicContact CB-CE2 3.85Å; H339-F448 HydrophobicContact CB-CZ 3.92Å; H339-I449 PolarHBondContact N-O 3.39Å; H339-G450 CarbonylContact O-C 3.4Å; H339-T451 PolarHBondContact O-N 3.19Å; H339-T451 PolarHBondContact O-OG1 2.94Å; H339-S454 PolarHBondContact CE1-OG 3.14Å; H339-S454 VanDerWaalsContact CE1-OG 3.32Å; H339-F456 AromaticContact CD2-CD1 3.37Å; H339-F456 WeakPolarHBondContact CD2-CD1 3.44Å; H339-F456 AromaticContact CD2-CE1 3.72Å; H339-F456 AromaticContact CE1-CD1 3.73Å; H339-F456 AromaticContact CG-CD1 3.66Å; H339-F456 AromaticContact ND1-CD1 3.88Å; H339-F456 AromaticContact NE2-CD1 3.44Å; H339-F456 WeakPolarHBondContact NE2-CD1 3.48Å; H339-F456 AromaticContact NE2-CG 3.82Å; H339-T457 PolarHBondContact ND1-OG1 2.91Å; H339-I460 HydrophobicContact CB-CD1 4.25Å
340W96.7Very high85.5Confident1 Ų128.5 Ų28.50%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-109.795.2179.8-17743.8000110.3R342 P366 A371 A396 T397 A399 E403 L407 T451 L478W340-R342 HydrophobicContact CD2-CG 3.72Å; W340-R342 HydrophobicContact CE3-CG 3.93Å; W340-R342 HydrophobicContact CG-CG 4.26Å; W340-R342 HydrophobicContact CH2-CG 4.21Å; W340-R342 HydrophobicContact CZ2-CG 3.96Å; W340-R342 HydrophobicContact CZ3-CG 4.17Å; W340-R342 PolarHBondContact O-N 2.94Å; W340-P366 WeakPolarHBondContact CZ2-O 3.28Å; W340-P366 PolarHBondContact NE1-O 3.44Å; W340-A371 HydrophobicContact CD2-CB 4.46Å; W340-A371 HydrophobicContact CZ2-CB 4.13Å; W340-A396 PolarHBondContact N-O 3.01Å; W340-T397 VanDerWaalsContact O-CB 3.23Å; W340-T397 WeakPolarHBondContact O-CB 3.25Å; W340-T397 PolarHBondContact O-OG1 3.37Å; W340-A399 HydrophobicContact CE3-CB 4.34Å; W340-A399 HydrophobicContact CZ3-CB 4.05Å; W340-E403 HydrophobicContact CH2-CG 3.42Å; W340-E403 VanDerWaalsContact CH2-CG 3.42Å; W340-E403 HydrophobicContact CZ2-CG 4.39Å; W340-E403 HydrophobicContact CZ3-CG 3.91Å; W340-L407 HydrophobicContact CD2-CD2 3.83Å; W340-L407 HydrophobicContact CE3-CD2 3.3Å; W340-L407 HydrophobicContact CH2-CB 4.24Å; W340-L407 HydrophobicContact CH2-CD2 4.09Å; W340-L407 HydrophobicContact CZ3-CB 3.92Å; W340-L407 HydrophobicContact CZ3-CD2 3.44Å; W340-L407 VanDerWaalsContact CZ3-CD2 3.44Å; W340-L407 HydrophobicContact CZ3-CG 4.28Å; W340-T451 WeakPolarHBondContact CA-OG1 3.36Å; W340-L478 HydrophobicContact CB-CD1 4.09Å; W340-L478 HydrophobicContact CG-CD1 4.14Å
341R93.7Very high82.9Confident45 Ų4533.1 Ų33.117%0.1720%0.2CC..  trans-76.4125.1-177.7-17766-173.6165.96.1110.9D344 F345 S365 D398 T451R341-D344 IonicContact CZ-OD1 3.81Å; R341-D344 IonicContact NH2-OD1 2.8Å; R341-D344 PolarHBondContact NH2-OD1 3.41Å; R341-F345 HydrophobicContact CB-CD1 4.03Å; R341-F345 HydrophobicContact CB-CE1 4.42Å; R341-F345 HydrophobicContact CB-CG 4.39Å; R341-F345 HydrophobicContact CG-CB 3.48Å; R341-F345 VanDerWaalsContact CG-CB 3.48Å; R341-F345 HydrophobicContact CG-CD1 3.55Å; R341-F345 HydrophobicContact CG-CD2 4Å; R341-F345 HydrophobicContact CG-CE1 4.23Å; R341-F345 HydrophobicContact CG-CG 3.42Å; R341-F345 VanDerWaalsContact CG-CG 3.42Å; R341-S365 WeakPolarHBondContact O-CB 3.25Å; R341-S365 PolarHBondContact O-OG 2.9Å; R341-D398 WeakPolarHBondContact CD-OD1 3.21Å; R341-D398 IonicContact CZ-OD1 3.63Å; R341-D398 IonicContact CZ-OD2 2.73Å; R341-D398 IonicContact NE-OD1 3.36Å; R341-D398 IonicContact NE-OD2 3.72Å; R341-D398 PolarHBondContact NE-OD2 3.48Å; R341-D398 IonicContact NH1-OD1 2.9Å; R341-D398 IonicContact NH1-OD2 3.29Å; R341-D398 PolarHBondContact NH1-OD2 3.41Å; R341-D398 IonicContact NH2-OD2 2.69Å; R341-D398 PolarHBondContact NH2-OD2 3.18Å; R341-T451 HydrophobicContact CB-CG2 3.95Å; R341-T451 PolarHBondContact N-OG1 3.17Å
342R91.9Very high80.3Confident16 Ų1632.3 Ų32.36%0.0620%0.204CC..  trans-128.7-109.7-178.3-60.8-58.8-74.7170.9-0.7111.4W340 D344 F345 V346 S365 P366 D398 A399 E403W340-R342 HydrophobicContact CD2-CG 3.72Å; W340-R342 HydrophobicContact CE3-CG 3.93Å; W340-R342 HydrophobicContact CG-CG 4.26Å; W340-R342 HydrophobicContact CH2-CG 4.21Å; W340-R342 HydrophobicContact CZ2-CG 3.96Å; W340-R342 HydrophobicContact CZ3-CG 4.17Å; W340-R342 PolarHBondContact O-N 2.94Å; R342-D344 PolarHBondContact O-N 3.46Å; R342-F345 WeakPolarHBondContact O-CA 3.28Å; R342-F345 WeakPolarHBondContact O-CB 3.44Å; R342-F345 PolarHBondContact O-N 3.48Å; R342-V346 HydrophobicContact CB-CG2 4.26Å; R342-V346 PolarHBondContact O-N 2.8Å; R342-S365 WeakPolarHBondContact CD-OG 3.31Å; R342-S365 PolarHBondContact NH1-O 2.88Å; R342-S365 VanDerWaalsContact NH1-O 3.11Å; R342-S365 PolarHBondContact NH1-OG 3.46Å; R342-P366 PolarHBondContact NH1-O 2.96Å; R342-D398 WeakPolarHBondContact CA-OD1 3.26Å; R342-D398 PolarHBondContact N-OD1 2.87Å; R342-A399 HydrophobicContact CB-CB 3.97Å; R342-A399 HydrophobicContact CG-CB 3.91Å; R342-E403 IonicContact CZ-OE1 2.78Å; R342-E403 IonicContact CZ-OE2 2.73Å; R342-E403 IonicContact NE-OE1 3.87Å; R342-E403 PolarHBondContact NE-OE1 3.33Å; R342-E403 IonicContact NE-OE2 3.5Å; R342-E403 PolarHBondContact NE-OE2 3.31Å; R342-E403 IonicContact NH2-OE1 3.57Å; R342-E403 PolarHBondContact NH2-OE1 3.4Å; R342-E403 IonicContact NH2-OE2 3.27Å
343G84.1Confident77.7Confident8 Ų839.6 Ų39.68%0.08225%0.248CC..THydrogen-bonded Turntrans38-117.6177.900000114.9R80 D398R80-G343 PolarHBondContact NH1-O 2.98Å; G343-D398 WeakPolarHBondContact CA-OD2 3.27Å; G343-D398 PolarHBondContact N-OD2 2.76Å; G343-D398 VanDerWaalsContact N-OD2 3.14Å
344D75.9Confident75.1Confident51 Ų5143.9 Ų43.927%0.27328%0.275SS..THydrogen-bonded Turntrans-86.8-2.2178.962.52.1000114.1H75 N78 R341 R342H75-D344 IonicContact CE1-OD2 2.73Å; H75-D344 PolarHBondContact CE1-OD2 3.39Å; H75-D344 IonicContact CG-OD2 3.77Å; H75-D344 IonicContact ND1-OD2 2.78Å; H75-D344 PolarHBondContact ND1-OD2 2.68Å; N78-D344 HydrophobicContact CB-CB 4.3Å; N78-D344 PolarHBondContact ND2-OD2 3.16Å; R341-D344 IonicContact CZ-OD1 3.81Å; R341-D344 IonicContact NH2-OD1 2.8Å; R341-D344 PolarHBondContact NH2-OD1 3.41Å; R342-D344 PolarHBondContact O-N 3.46Å
345F78.8Confident72.8Confident16 Ų1648.7 Ų48.77%0.0730%0.303CS..THydrogen-bonded Turntrans-83.1-28.8-176.6-175.9-102.8000113.2R341 R342 T347 R364 T451R341-F345 HydrophobicContact CB-CD1 4.03Å; R341-F345 HydrophobicContact CB-CE1 4.42Å; R341-F345 HydrophobicContact CB-CG 4.39Å; R341-F345 HydrophobicContact CG-CB 3.48Å; R341-F345 VanDerWaalsContact CG-CB 3.48Å; R341-F345 HydrophobicContact CG-CD1 3.55Å; R341-F345 HydrophobicContact CG-CD2 4Å; R341-F345 HydrophobicContact CG-CE1 4.23Å; R341-F345 HydrophobicContact CG-CG 3.42Å; R341-F345 VanDerWaalsContact CG-CG 3.42Å; R342-F345 WeakPolarHBondContact O-CA 3.28Å; R342-F345 WeakPolarHBondContact O-CB 3.44Å; R342-F345 PolarHBondContact O-N 3.48Å; F345-T347 PolarHBondContact O-N 3.43Å; F345-R364 HydrophobicContact CD1-CB 3.96Å; F345-R364 HydrophobicContact CE1-CB 3.45Å; F345-R364 VanDerWaalsContact CE1-CB 3.45Å; F345-R364 WeakPolarHBondContact CE1-O 3.47Å; F345-R364 HydrophobicContact CZ-CB 3.79Å; F345-R364 PolarHBondContact O-NE 2.74Å; F345-R364 PolarHBondContact O-NH2 2.63Å; F345-T451 HydrophobicContact CE1-CG2 3.88Å
346V70.9Confident70.4Confident24 Ų2453.2 Ų53.215%0.14533%0.331CS..SBendtrans-57.5-46.7-168.7-177.50000112.6R342 S363 R364R342-V346 HydrophobicContact CB-CG2 4.26Å; R342-V346 PolarHBondContact O-N 2.8Å; V346-S363 WeakPolarHBondContact O-CA 3.14Å; V346-R364 PolarHBondContact O-N 3.13Å
347T63.7Low67.9Low102 Ų10259.7 Ų59.763%0.62637%0.371SS*.EExtended strand (participates in β ladder)trans-107.6125.9-171.454.30000112.1F345F345-T347 PolarHBondContact O-N 3.43Å
348T58.3Low65.4Low46 Ų4664.4 Ų64.428%0.28240%0.399SS..EExtended strand (participates in β ladder)trans-116.3124.1156.1470000109.1T350T348-T350 PolarHBondContact O-N 2.92Å
349S49Very low62.7Low90 Ų9068.6 Ų68.663%0.62943%0.425SS*.EExtended strand (participates in β ladder)trans-78.597164.456.30000107.9S351S349-S351 PolarHBondContact O-N 3.2Å
350T48Very low60.4Low65 Ų6572.4 Ų72.440%0.39945%0.449SS..  trans-67.3104.216119.80000107.4T348 A352 T360T348-T350 PolarHBondContact O-N 2.92Å; T350-A352 PolarHBondContact O-N 3.23Å; T350-T360 PolarHBondContact OG1-O 3.32Å
351S41.5Very low58.1Low106 Ų10677.1 Ų77.174%0.74148%0.478SS*.  trans-69.291.7160.6-62.20000105.7S349 T353S349-S351 PolarHBondContact O-N 3.2Å; S351-T353 PolarHBondContact O-N 3.48Å; S351-T353 VanDerWaalsContact O-N 3.08Å
352A43.5Very low56.8Low54 Ų5478.2 Ų78.245%0.44649%0.49SS..  trans-57.5118.9170.600000107.2T350 T354T350-A352 PolarHBondContact O-N 3.23Å; A352-T354 PolarHBondContact O-N 3.29Å
353T44.6Very low56.1Low152 Ų15279.2 Ų79.293%0.93350%0.499SS*.SBendtrans-68.217.7176.213.20000113.1S351S351-T353 PolarHBondContact O-N 3.48Å; S351-T353 VanDerWaalsContact O-N 3.08Å
354T44.5Very low56.1Low91 Ų9183.4 Ų83.456%0.55851%0.512SS*.SBendtrans-116.4127.4-178-33.90000107.3A352 T356A352-T354 PolarHBondContact O-N 3.29Å; T354-T356 CarbonylContact O-C 3.57Å; T354-T356 PolarHBondContact O-N 3.46Å
355T50.3Low56.8Low149 Ų14981 Ų8191%0.91450%0.499SS*.SBendtrans-51.20.3-170.310.70000117.3
356T47.8Very low57.6Low96 Ų9680.2 Ų80.259%0.58950%0.496SS*.SBendtrans-90.8101.1162.734.70000109.8T354 T358T354-T356 CarbonylContact O-C 3.57Å; T354-T356 PolarHBondContact O-N 3.46Å; T356-T358 PolarHBondContact O-N 3.21Å; T356-T358 PolarHBondContact O-OG1 3.16Å
357T47Very low58.6Low137 Ų13782.7 Ų82.784%0.8451%0.508SS*.  trans-64.949.3174.6-34.20000113V359T357-V359 PolarHBondContact O-N 3.38Å
358T46Very low60.1Low98 Ų9878.2 Ų78.260%0.60148%0.482SS*.  trans-88.894.1162.430.70000107T356 T360T356-T358 PolarHBondContact O-N 3.21Å; T356-T358 PolarHBondContact O-OG1 3.16Å; T358-T360 VanDerWaalsContact C-N 3.27Å; T358-T360 PolarHBondContact O-N 2.92Å
359V43.5Very low61.9Low88 Ų8879.2 Ų79.253%0.53349%0.487SS..  trans-65.294.3166.1-179.60000106.7T357 T361T357-V359 PolarHBondContact O-N 3.38Å; V359-T361 HydrophobicContact CG1-CG2 4.04Å; V359-T361 PolarHBondContact O-N 2.94Å
360T48.2Very low64.2Low85 Ų8577.5 Ų77.552%0.52147%0.471SS..  trans-7699.6166.139.90000106.9T350 T358 T362T350-T360 PolarHBondContact OG1-O 3.32Å; T358-T360 VanDerWaalsContact C-N 3.27Å; T358-T360 PolarHBondContact O-N 2.92Å; T360-T362 PolarHBondContact O-N 3.14Å; T360-T362 VanDerWaalsContact O-N 3.11Å
361T50.1Low66.5Low101 Ų10174.4 Ų74.462%0.6245%0.452SS*.EExtended strand (participates in β ladder)trans-71.3100.8167.951.50000107.8V359 S363V359-T361 HydrophobicContact CG1-CG2 4.04Å; V359-T361 PolarHBondContact O-N 2.94Å; T361-S363 PolarHBondContact O-N 2.9Å
362T64.6Low69.2Low68 Ų6869.5 Ų69.542%0.41742%0.418SS..EExtended strand (participates in β ladder)trans-80.1116.8169.547.30000108.2T360T360-T362 PolarHBondContact O-N 3.14Å; T360-T362 VanDerWaalsContact O-N 3.11Å
363S77.1Confident71.8Confident37 Ų3772.4 Ų72.426%0.25942%0.422SS..EExtended strand (participates in β ladder)trans-70.5135168.1-1700000108.5V346 T361 S365 P480V346-S363 WeakPolarHBondContact O-CA 3.14Å; T361-S363 PolarHBondContact O-N 2.9Å; S363-S365 PolarHBondContact OG-N 3.14Å; S363-S365 PolarHBondContact OG-O 3.18Å; S363-P480 WeakPolarHBondContact O-CB 3.22Å
364R85.5Confident74.4Confident95 Ų9565.5 Ų65.536%0.35838%0.379SS..SBendtrans-94.7-6.5173.7-64-172.8-63.8176.9-7.2113.5F345 V346F345-R364 HydrophobicContact CD1-CB 3.96Å; F345-R364 HydrophobicContact CE1-CB 3.45Å; F345-R364 VanDerWaalsContact CE1-CB 3.45Å; F345-R364 WeakPolarHBondContact CE1-O 3.47Å; F345-R364 HydrophobicContact CZ-CB 3.79Å; F345-R364 PolarHBondContact O-NE 2.74Å; F345-R364 PolarHBondContact O-NH2 2.63Å; V346-R364 PolarHBondContact O-N 3.13Å
365S90.9Very high76.9Confident0 Ų061.1 Ų61.10%035%0.353CS..SBendtrans-140.9139.8-177.3171.90000110.9R341 R342 S363R341-S365 WeakPolarHBondContact O-CB 3.25Å; R341-S365 PolarHBondContact O-OG 2.9Å; R342-S365 WeakPolarHBondContact CD-OG 3.31Å; R342-S365 PolarHBondContact NH1-O 2.88Å; R342-S365 VanDerWaalsContact NH1-O 3.11Å; R342-S365 PolarHBondContact NH1-OG 3.46Å; S363-S365 PolarHBondContact OG-N 3.14Å; S363-S365 PolarHBondContact OG-O 3.18Å
366P93.9Very high79.2Confident1 Ų157.3 Ų57.31%0.00633%0.326CS..  trans-65.5146.4178.226.5-32.5000110.9W340 R342 L370 A371 L478 C479W340-P366 WeakPolarHBondContact CZ2-O 3.28Å; W340-P366 PolarHBondContact NE1-O 3.44Å; R342-P366 PolarHBondContact NH1-O 2.96Å; P366-L370 HydrophobicContact CB-CB 3.74Å; P366-A371 HydrophobicContact CB-CB 4.35Å; P366-A371 HydrophobicContact CG-CB 4.09Å; P366-L478 HydrophobicContact CG-CB 4.04Å; P366-L478 HydrophobicContact CG-CD1 4.37Å; P366-C479 WeakPolarHBondContact CB-O 3.42Å; P366-C479 WeakPolarHBondContact CD-O 3.43Å
367N93.3Very high81.6Confident75 Ų7556.1 Ų56.140%0.40132%0.316SS..  trans-67171.6167.466.331.3000110.9V369 L370 A371N367-V369 VanDerWaalsContact C-N 3.26Å; N367-V369 PolarHBondContact O-N 3.43Å; N367-V369 PolarHBondContact OD1-N 3.12Å; N367-L370 PolarHBondContact O-N 2.92Å; N367-L370 PolarHBondContact OD1-N 3.01Å; N367-A371 VanDerWaalsContact O-CB 3.26Å; N367-A371 WeakPolarHBondContact O-CB 3.26Å; N367-A371 PolarHBondContact O-N 3.38Å
368S95.5Very high84Confident9 Ų949.6 Ų49.66%0.06328%0.276CS..Hα-helixtrans-55.8-37.7-176.955.30000113.7A372 N406 L407S368-A372 VanDerWaalsContact O-CB 3.27Å; S368-A372 WeakPolarHBondContact O-CB 3.44Å; S368-A372 PolarHBondContact O-N 2.75Å; S368-N406 PolarHBondContact OG-ND2 3.45Å; S368-L407 WeakPolarHBondContact O-CD1 3.37Å
369V96.4Very high86.5Confident67 Ų6745 Ų4541%0.40625%0.248SC..Hα-helixtrans-66.5-49.9179.6179.10000111.2N367 A372 Q373 L410N367-V369 VanDerWaalsContact C-N 3.26Å; N367-V369 PolarHBondContact O-N 3.43Å; N367-V369 PolarHBondContact OD1-N 3.12Å; V369-A372 PolarHBondContact O-N 2.96Å; V369-Q373 WeakPolarHBondContact O-CG 3.44Å; V369-Q373 PolarHBondContact O-N 2.97Å; V369-L410 HydrophobicContact CG2-CD1 4.11Å
370L95.5Very high89.1Confident53 Ų5347.4 Ų47.428%0.27725%0.251SS..Hα-helixtrans-67.8-39.2178.3-69.8-179.8000111.5P366 N367 Q373 Q374P366-L370 HydrophobicContact CB-CB 3.74Å; N367-L370 PolarHBondContact O-N 2.92Å; N367-L370 PolarHBondContact OD1-N 3.01Å; L370-Q373 PolarHBondContact O-N 2.73Å; L370-Q374 WeakPolarHBondContact O-CB 3.36Å; L370-Q374 VanDerWaalsContact O-CG 3.27Å; L370-Q374 WeakPolarHBondContact O-CG 3.23Å; L370-Q374 PolarHBondContact O-N 3.29Å
371A97.6Very high91.5Very high0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-60.3-46.6175.300000110.8W340 P366 N367 Q373 Q374 I375 L407W340-A371 HydrophobicContact CD2-CB 4.46Å; W340-A371 HydrophobicContact CZ2-CB 4.13Å; P366-A371 HydrophobicContact CB-CB 4.35Å; P366-A371 HydrophobicContact CG-CB 4.09Å; N367-A371 VanDerWaalsContact O-CB 3.26Å; N367-A371 WeakPolarHBondContact O-CB 3.26Å; N367-A371 PolarHBondContact O-N 3.38Å; A371-Q373 PolarHBondContact O-N 3.1Å; A371-Q374 PolarHBondContact O-N 3.29Å; A371-I375 WeakPolarHBondContact O-CB 3.34Å; A371-I375 WeakPolarHBondContact O-CD1 3.22Å; A371-I375 WeakPolarHBondContact O-CG1 3.47Å; A371-I375 PolarHBondContact O-N 3.11Å; A371-L407 HydrophobicContact CB-CD1 4.12Å
372A98.6Very high93.7Very high4 Ų441.3 Ų41.33%0.03321%0.211CC..Hα-helixtrans-59.3-47.6176.600000112.1S368 V369 Q374 I375 L376 L407 L410 L411S368-A372 VanDerWaalsContact O-CB 3.27Å; S368-A372 WeakPolarHBondContact O-CB 3.44Å; S368-A372 PolarHBondContact O-N 2.75Å; V369-A372 PolarHBondContact O-N 2.96Å; A372-Q374 VanDerWaalsContact C-N 3.32Å; A372-Q374 PolarHBondContact O-N 3.31Å; A372-I375 PolarHBondContact O-N 2.92Å; A372-L376 WeakPolarHBondContact O-CB 3.41Å; A372-L376 VanDerWaalsContact O-CG 3.22Å; A372-L376 WeakPolarHBondContact O-CG 3.47Å; A372-L376 PolarHBondContact O-N 3.11Å; A372-L407 HydrophobicContact CB-CD1 3.85Å; A372-L410 HydrophobicContact CB-CB 3.54Å; A372-L410 HydrophobicContact CB-CD1 4.28Å; A372-L411 HydrophobicContact CB-CD2 4.11Å; A372-L411 HydrophobicContact CB-CG 4.49Å
373Q97.7Very high95.3Very high115 Ų11539 Ų3954%0.53720%0.196SC..Hα-helixtrans-58.9-43.8177.3-72.9173.9-8.900112.2V369 L370 A371 N377V369-Q373 WeakPolarHBondContact O-CG 3.44Å; V369-Q373 PolarHBondContact O-N 2.97Å; L370-Q373 PolarHBondContact O-N 2.73Å; A371-Q373 PolarHBondContact O-N 3.1Å; Q373-N377 WeakPolarHBondContact O-CB 3.34Å; Q373-N377 PolarHBondContact O-N 3.38Å; Q373-N377 VanDerWaalsContact O-N 3.08Å
374Q97.7Very high96.3Very high6 Ų643.4 Ų43.43%0.02821%0.213CC..Hα-helixtrans-64.1-47.1178.1-77.6-174.839.900112L370 A371 A372 N377 A378 L478 C479 G482 I484L370-Q374 WeakPolarHBondContact O-CB 3.36Å; L370-Q374 VanDerWaalsContact O-CG 3.27Å; L370-Q374 WeakPolarHBondContact O-CG 3.23Å; L370-Q374 PolarHBondContact O-N 3.29Å; A371-Q374 PolarHBondContact O-N 3.29Å; A372-Q374 VanDerWaalsContact C-N 3.32Å; A372-Q374 PolarHBondContact O-N 3.31Å; Q374-N377 PolarHBondContact O-N 2.9Å; Q374-A378 PolarHBondContact O-N 2.84Å; Q374-L478 HydrophobicContact CB-CD2 3.72Å; Q374-L478 VanDerWaalsContact OE1-CA 3.25Å; Q374-C479 PolarHBondContact NE2-O 2.81Å; Q374-G482 PolarHBondContact NE2-O 2.88Å; Q374-I484 HydrophobicContact CB-CB 3.87Å; Q374-I484 HydrophobicContact CB-CD1 4.42Å; Q374-I484 HydrophobicContact CG-CB 3.99Å
375I98.7Very high96.8Very high0 Ų047.1 Ų47.10%023%0.228CC..Hα-helixtrans-62.7-49.1178.5-66.5163.1000110.5V338 A371 A372 N377 A378 V379 L407 L411 L478V338-I375 HydrophobicContact CB-CD1 4.49Å; V338-I375 HydrophobicContact CG1-CD1 3.93Å; V338-I375 HydrophobicContact CG1-CG1 4.09Å; V338-I375 HydrophobicContact CG2-CD1 4.28Å; V338-I375 HydrophobicContact CG2-CG1 4.14Å; V338-I375 HydrophobicContact CG2-CG2 4.37Å; A371-I375 WeakPolarHBondContact O-CB 3.34Å; A371-I375 WeakPolarHBondContact O-CD1 3.22Å; A371-I375 WeakPolarHBondContact O-CG1 3.47Å; A371-I375 PolarHBondContact O-N 3.11Å; A372-I375 PolarHBondContact O-N 2.92Å; I375-N377 VanDerWaalsContact C-N 3.29Å; I375-N377 PolarHBondContact O-N 2.7Å; I375-A378 PolarHBondContact O-N 3.35Å; I375-V379 HydrophobicContact CG2-CG2 4.13Å; I375-V379 WeakPolarHBondContact O-CB 3.42Å; I375-V379 VanDerWaalsContact O-CG2 3.26Å; I375-V379 WeakPolarHBondContact O-CG2 3.47Å; I375-V379 PolarHBondContact O-N 2.63Å; I375-L407 HydrophobicContact CD1-CD1 4.38Å; I375-L407 HydrophobicContact CD1-CD2 4.49Å; I375-L411 HydrophobicContact CB-CD2 3.88Å; I375-L411 HydrophobicContact CD1-CD1 4.24Å; I375-L411 HydrophobicContact CD1-CD2 4.31Å; I375-L411 HydrophobicContact CG2-CD2 3.71Å; I375-L478 HydrophobicContact CG1-CD2 4.22Å
376L98.5Very high97Very high69 Ų6949.1 Ų49.136%0.36124%0.237SC..Hα-helixtrans-59.6-40179.4-71.3168.9000111.9A372 K380 L411 L414A372-L376 WeakPolarHBondContact O-CB 3.41Å; A372-L376 VanDerWaalsContact O-CG 3.22Å; A372-L376 WeakPolarHBondContact O-CG 3.47Å; A372-L376 PolarHBondContact O-N 3.11Å; L376-K380 WeakPolarHBondContact O-CB 3.49Å; L376-K380 PolarHBondContact O-N 3.38Å; L376-L411 HydrophobicContact CD2-CD2 4.3Å; L376-L411 HydrophobicContact CG-CD2 4.03Å; L376-L414 HydrophobicContact CD2-CD1 3.81Å; L376-L414 HydrophobicContact CD2-CG 4.45Å
377N97.6Very high97.1Very high71 Ų7156.9 Ų56.938%0.3828%0.278SS..Hα-helixtrans-66.3-44.9176.2-170.128.1000111.9Q373 Q374 I375 K380 I381Q373-N377 WeakPolarHBondContact O-CB 3.34Å; Q373-N377 PolarHBondContact O-N 3.38Å; Q373-N377 VanDerWaalsContact O-N 3.08Å; Q374-N377 PolarHBondContact O-N 2.9Å; I375-N377 VanDerWaalsContact C-N 3.29Å; I375-N377 PolarHBondContact O-N 2.7Å; N377-K380 WeakPolarHBondContact O-CB 3.35Å; N377-K380 PolarHBondContact O-N 3.47Å; N377-I381 WeakPolarHBondContact O-CG1 3.3Å; N377-I381 PolarHBondContact O-N 2.79Å; N377-I381 VanDerWaalsContact O-N 3.11Å
378A97.9Very high97.2Very high0 Ų060.8 Ų60.80%029%0.294CS..Hα-helixtrans-62.5-47.5177.300000112.2Q374 I375 K380 I381 F382 I449 I484 L486Q374-A378 PolarHBondContact O-N 2.84Å; I375-A378 PolarHBondContact O-N 3.35Å; A378-K380 VanDerWaalsContact C-N 3.29Å; A378-K380 PolarHBondContact O-N 3.21Å; A378-I381 PolarHBondContact O-N 3.32Å; A378-F382 HydrophobicContact CB-CD2 4.44Å; A378-F382 HydrophobicContact CB-CE2 3.95Å; A378-F382 HydrophobicContact CB-CZ 4.13Å; A378-F382 WeakPolarHBondContact O-CB 3.47Å; A378-F382 WeakPolarHBondContact O-CD2 3.48Å; A378-F382 WeakPolarHBondContact O-CG 3.39Å; A378-F382 PolarHBondContact O-N 2.87Å; A378-I449 HydrophobicContact CB-CD1 3.65Å; A378-I484 HydrophobicContact CB-CD1 3.64Å; A378-I484 HydrophobicContact CB-CG2 4.4Å; A378-L486 HydrophobicContact CB-CD2 3.95Å
379V98.4Very high97.3Very high2 Ų267.8 Ų67.81%0.01232%0.32CS..Hα-helixtrans-59.5-40.4177.8171.90000111.1V336 I375 I381 N383 I393 L414V336-V379 HydrophobicContact CG2-CG2 4.28Å; I375-V379 HydrophobicContact CG2-CG2 4.13Å; I375-V379 WeakPolarHBondContact O-CB 3.42Å; I375-V379 VanDerWaalsContact O-CG2 3.26Å; I375-V379 WeakPolarHBondContact O-CG2 3.47Å; I375-V379 PolarHBondContact O-N 2.63Å; V379-I381 VanDerWaalsContact C-N 3.33Å; V379-I381 PolarHBondContact O-N 3.41Å; V379-N383 WeakPolarHBondContact CG1-ND2 3.12Å; V379-N383 WeakPolarHBondContact O-CB 3.28Å; V379-N383 PolarHBondContact O-N 3.49Å; V379-N383 PolarHBondContact O-ND2 3.01Å; V379-I393 HydrophobicContact CG2-CD1 3.61Å; V379-L414 HydrophobicContact CG1-CD1 4.35Å; V379-L414 HydrophobicContact CG1-CD2 4.3Å; V379-L414 HydrophobicContact CG2-CD1 4.41Å
380K97.7Very high97.4Very high138 Ų13864.9 Ų64.960%0.630%0.302SS*.Hα-helixtrans-59.3-43.4174178.6-174.3173.9-173.20111.9L376 N377 A378L376-K380 WeakPolarHBondContact O-CB 3.49Å; L376-K380 PolarHBondContact O-N 3.38Å; N377-K380 WeakPolarHBondContact O-CB 3.35Å; N377-K380 PolarHBondContact O-N 3.47Å; A378-K380 VanDerWaalsContact C-N 3.29Å; A378-K380 PolarHBondContact O-N 3.21Å
381I97.5Very high97.5Very high47 Ų4765 Ų6524%0.24130%0.303CS..Hα-helixtrans-70.8-48-179.6-68.6165.5000110.6N377 A378 V379 N383 Q384 Y385 L486N377-I381 WeakPolarHBondContact O-CG1 3.3Å; N377-I381 PolarHBondContact O-N 2.79Å; N377-I381 VanDerWaalsContact O-N 3.11Å; A378-I381 PolarHBondContact O-N 3.32Å; V379-I381 VanDerWaalsContact C-N 3.33Å; V379-I381 PolarHBondContact O-N 3.41Å; I381-N383 VanDerWaalsContact C-N 3.29Å; I381-N383 PolarHBondContact O-N 2.96Å; I381-Q384 VanDerWaalsContact O-CB 3.26Å; I381-Q384 WeakPolarHBondContact O-CB 3.36Å; I381-Q384 WeakPolarHBondContact O-CG 3.04Å; I381-Q384 PolarHBondContact O-N 3.01Å; I381-Y385 HydrophobicContact CG2-CE2 4.24Å; I381-Y385 WeakPolarHBondContact O-CD2 3.49Å; I381-L486 HydrophobicContact CB-CD1 4.22Å; I381-L486 HydrophobicContact CD1-CD1 3.61Å; I381-L486 HydrophobicContact CG2-CD1 4.02Å
382F97.9Very high97.6Very high10 Ų1065.6 Ų65.64%0.04431%0.307CS..Hα-helixtrans-56.2-43.8179.1-65.3-22.2000112V336 A378 Q384 Y385 Y447 I449 N476 L486V336-F382 HydrophobicContact CG1-CD2 4.45Å; V336-F382 HydrophobicContact CG1-CE2 4.26Å; V336-F382 HydrophobicContact CG2-CD2 4.23Å; A378-F382 HydrophobicContact CB-CD2 4.44Å; A378-F382 HydrophobicContact CB-CE2 3.95Å; A378-F382 HydrophobicContact CB-CZ 4.13Å; A378-F382 WeakPolarHBondContact O-CB 3.47Å; A378-F382 WeakPolarHBondContact O-CD2 3.48Å; A378-F382 WeakPolarHBondContact O-CG 3.39Å; A378-F382 PolarHBondContact O-N 2.87Å; F382-Q384 PolarHBondContact O-N 3.36Å; F382-Q384 VanDerWaalsContact O-N 3.07Å; F382-Y385 PolarHBondContact O-N 3.29Å; F382-Y447 HydrophobicContact CB-CD1 4.29Å; F382-Y447 HydrophobicContact CB-CD2 3.8Å; F382-Y447 HydrophobicContact CB-CE1 4.16Å; F382-Y447 HydrophobicContact CB-CE2 3.63Å; F382-Y447 HydrophobicContact CB-CG 4.14Å; F382-Y447 AromaticContact CD1-CD1 3.71Å; F382-Y447 HydrophobicContact CD1-CD1 3.71Å; F382-Y447 AromaticContact CD1-CE1 3.84Å; F382-Y447 HydrophobicContact CD1-CE1 3.84Å; F382-Y447 HydrophobicContact CD1-CG 4.17Å; F382-Y447 AromaticContact CD2-CD1 3.95Å; F382-Y447 HydrophobicContact CD2-CD1 3.95Å; F382-Y447 AromaticContact CD2-CD2 3.86Å; F382-Y447 HydrophobicContact CD2-CD2 3.86Å; F382-Y447 AromaticContact CD2-CG 3.54Å; F382-Y447 HydrophobicContact CD2-CG 3.54Å; F382-Y447 AromaticContact CE1-CD1 3.94Å; F382-Y447 HydrophobicContact CE1-CD1 3.94Å; F382-Y447 HydrophobicContact CE1-CE1 4.4Å; F382-Y447 HydrophobicContact CE1-CG 4.48Å; F382-Y447 HydrophobicContact CE2-CD1 4.16Å; F382-Y447 AromaticContact CE2-CG 3.89Å; F382-Y447 HydrophobicContact CE2-CG 3.89Å; F382-Y447 AromaticContact CG-CD1 3.72Å; F382-Y447 HydrophobicContact CG-CD1 3.72Å; F382-Y447 AromaticContact CG-CD2 3.89Å; F382-Y447 HydrophobicContact CG-CD2 3.89Å; F382-Y447 AromaticContact CG-CE1 3.97Å; F382-Y447 HydrophobicContact CG-CE1 3.97Å; F382-Y447 HydrophobicContact CG-CE2 4.11Å; F382-Y447 AromaticContact CG-CG 3.7Å; F382-Y447 HydrophobicContact CG-CG 3.7Å; F382-Y447 HydrophobicContact CZ-CD1 4.16Å; F382-Y447 HydrophobicContact CZ-CG 4.36Å; F382-I449 HydrophobicContact CE2-CD1 3.94Å; F382-I449 HydrophobicContact CE2-CG1 4.03Å; F382-I449 HydrophobicContact CZ-CG1 4.33Å; F382-N476 HydrophobicContact CZ-CB 4.3Å; F382-L486 HydrophobicContact CE1-CD1 4.41Å; F382-L486 HydrophobicContact CE1-CD2 4Å; F382-L486 HydrophobicContact CZ-CD2 3.84Å
383N98.2Very high97.6Very high21 Ų2165.4 Ų65.411%0.11231%0.305CS..G310 helixtrans-65-10.2177.9-81.4-52.9000114.9V379 I381 Y385 Y389 I390V379-N383 WeakPolarHBondContact CG1-ND2 3.12Å; V379-N383 WeakPolarHBondContact O-CB 3.28Å; V379-N383 PolarHBondContact O-N 3.49Å; V379-N383 PolarHBondContact O-ND2 3.01Å; I381-N383 VanDerWaalsContact C-N 3.29Å; I381-N383 PolarHBondContact O-N 2.96Å; N383-Y385 PolarHBondContact O-N 2.75Å; N383-Y389 HydrophobicContact CB-CD2 3.85Å; N383-Y389 HydrophobicContact CB-CE2 3.79Å; N383-Y389 WeakPolarHBondContact ND2-CE2 3.41Å; N383-Y389 WeakPolarHBondContact OD1-CA 3.48Å; N383-I390 PolarHBondContact ND2-O 2.9Å; N383-I390 PolarHBondContact OD1-N 3.29Å
384Q97.4Very high97.6Very high129 Ų12959.9 Ų59.960%0.60328%0.28SS*.G310 helixtrans-71.4-18.3170.7-61.8176.9-1100112.3I381 F382I381-Q384 VanDerWaalsContact O-CB 3.26Å; I381-Q384 WeakPolarHBondContact O-CB 3.36Å; I381-Q384 WeakPolarHBondContact O-CG 3.04Å; I381-Q384 PolarHBondContact O-N 3.01Å; F382-Q384 PolarHBondContact O-N 3.36Å; F382-Q384 VanDerWaalsContact O-N 3.07Å
385Y95.3Very high97.7Very high172 Ų17259.7 Ų59.768%0.67528%0.278SS*.G310 helixtrans-108.66.6-176.9-56.1-76.8000113I381 F382 N383I381-Y385 HydrophobicContact CG2-CE2 4.24Å; I381-Y385 WeakPolarHBondContact O-CD2 3.49Å; F382-Y385 PolarHBondContact O-N 3.29Å; N383-Y385 PolarHBondContact O-N 2.75Å
386E96.3Very high97.7Very high42 Ų4259.7 Ų59.720%0.19628%0.279CS..  trans-116.6132.5-173.6-68.3-66.9176.200111.5H388 I390 R446 Y447E386-H388 VanDerWaalsContact C-N 3.26Å; E386-H388 PolarHBondContact O-N 2.71Å; E386-I390 HydrophobicContact CG-CD1 3.97Å; E386-I390 HydrophobicContact CG-CG1 4.5Å; E386-R446 VanDerWaalsContact OE1-CD 3.26Å; E386-R446 WeakPolarHBondContact OE1-CD 3.36Å; E386-R446 VanDerWaalsContact OE1-CG 3.23Å; E386-R446 WeakPolarHBondContact OE1-CG 3.44Å; E386-R446 IonicContact OE1-CZ 2.64Å; E386-R446 IonicContact OE1-NH1 2.74Å; E386-R446 PolarHBondContact OE1-NH1 3.47Å; E386-R446 IonicContact OE2-CZ 3.37Å; E386-R446 IonicContact OE2-NH1 3.21Å; E386-R446 PolarHBondContact OE2-NH1 3.19Å; E386-Y447 HydrophobicContact CG-CE2 3.91Å; E386-Y447 VanDerWaalsContact OE1-CE2 3.23Å; E386-Y447 WeakPolarHBondContact OE1-CE2 3.47Å; E386-Y447 PolarHBondContact OE1-OH 3.32Å
387D95.3Very high97.5Very high164 Ų16456.9 Ų56.988%0.87726%0.264SS*.SBendtrans-69.1-27.5177.8-69.9-36.5000112.2
388H95.3Very high97.2Very high157 Ų15753.7 Ų53.773%0.72725%0.247SC*.SBendtrans-122.6128.5176.5-65.5-39.6000109.4E386 I390E386-H388 VanDerWaalsContact C-N 3.26Å; E386-H388 PolarHBondContact O-N 2.71Å; H388-I390 PolarHBondContact O-N 3.11Å
389Y97.5Very high96.9Very high156 Ų15653.8 Ų53.861%0.61225%0.248SC*.  trans-62.9123-178.9-168.9-87.9000110.7N383 D391N383-Y389 HydrophobicContact CB-CD2 3.85Å; N383-Y389 HydrophobicContact CB-CE2 3.79Å; N383-Y389 WeakPolarHBondContact ND2-CE2 3.41Å; N383-Y389 WeakPolarHBondContact OD1-CA 3.48Å; Y389-D391 HydrophobicContact CD1-CB 4.03Å; Y389-D391 HydrophobicContact CE1-CB 4Å
390I98.5Very high96.4Very high7 Ų755.4 Ų55.44%0.03626%0.257CS..  trans-87.9109.2174.1-58.6177.5000108.1V336 N383 E386 H388 R446 Y447V336-I390 HydrophobicContact CG2-CG2 4.05Å; N383-I390 PolarHBondContact ND2-O 2.9Å; N383-I390 PolarHBondContact OD1-N 3.29Å; E386-I390 HydrophobicContact CG-CD1 3.97Å; E386-I390 HydrophobicContact CG-CG1 4.5Å; H388-I390 PolarHBondContact O-N 3.11Å; I390-R446 HydrophobicContact CD1-CB 3.95Å; I390-R446 HydrophobicContact CD1-CG 3.74Å; I390-Y447 HydrophobicContact CD1-CD2 4.31Å; I390-Y447 HydrophobicContact CD1-CE2 4.15Å
391D98.2Very high95.9Very high56 Ų5652.9 Ų52.930%0.29925%0.246SC..  trans-106.8-1.717569.5-12.6000113.2Y389 L414 Q415Y389-D391 HydrophobicContact CD1-CB 4.03Å; Y389-D391 HydrophobicContact CE1-CB 4Å; D391-L414 HydrophobicContact CB-CD2 4.17Å; D391-L414 CarbonylContact O-C 3.6Å; D391-L414 WeakPolarHBondContact O-CA 3.32Å; D391-L414 WeakPolarHBondContact O-CB 3.32Å; D391-Q415 PolarHBondContact O-N 3.4Å; D391-Q415 PolarHBondContact OD2-NE2 2.89Å
392T98.9Very high95.7Very high11 Ų1159.1 Ų59.17%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-98.3126.3-174.7-61.90000111.2L296 Y335 V336 F417L296-T392 HydrophobicContact CD2-CG2 3.9Å; Y335-T392 CarbonylContact C-O 3.55Å; Y335-T392 VanDerWaalsContact CA-O 3.25Å; Y335-T392 WeakPolarHBondContact CA-O 3.26Å; Y335-T392 WeakPolarHBondContact CB-O 3.38Å; V336-T392 PolarHBondContact N-O 2.72Å; T392-F417 HydrophobicContact CG2-CD2 3.77Å; T392-F417 HydrophobicContact CG2-CE2 3.76Å
393I98.9Very high95.4Very high0 Ų060.3 Ų60.30%028%0.277CS..EExtended strand (participates in β ladder)trans-121.1130.2179.8-50.1-61.1000109.7V336 V338 V379 L395 L414 Q415 I416 F417V336-I393 HydrophobicContact CB-CD1 3.76Å; V336-I393 HydrophobicContact CG2-CD1 4.24Å; V336-I393 CarbonylContact O-C 3.44Å; V336-I393 VanDerWaalsContact O-CA 3.32Å; V336-I393 WeakPolarHBondContact O-CA 3.28Å; V338-I393 HydrophobicContact CG2-CG2 3.96Å; V379-I393 HydrophobicContact CG2-CD1 3.61Å; I393-L395 HydrophobicContact CG2-CD2 3.71Å; I393-L395 HydrophobicContact CG2-CG 4.25Å; I393-L414 HydrophobicContact CD1-CD1 4.14Å; I393-L414 HydrophobicContact CG1-CB 4.15Å; I393-L414 HydrophobicContact CG1-CD1 3.88Å; I393-Q415 PolarHBondContact N-O 3.05Å; I393-I416 HydrophobicContact CB-CD1 3.62Å; I393-I416 HydrophobicContact CG1-CD1 3.72Å; I393-I416 HydrophobicContact CG2-CD1 4.32Å; I393-I416 WeakPolarHBondContact O-CA 3.27Å; I393-F417 PolarHBondContact O-N 2.82Å
394Y98.9Very high95.2Very high0 Ų059.5 Ų59.50%027%0.272CS..EExtended strand (participates in β ladder)trans-101.3127.3166.8-177.8-93.3000110.1Y291 L296 V336 A337 V338 A396 F417 F419 D438 I441Y291-Y394 HydrophobicContact CD1-CE2 4.26Å; Y291-Y394 AromaticContact CE1-CD2 3.86Å; Y291-Y394 HydrophobicContact CE1-CD2 3.86Å; Y291-Y394 AromaticContact CE1-CE2 3.55Å; Y291-Y394 HydrophobicContact CE1-CE2 3.55Å; L296-Y394 HydrophobicContact CD1-CD2 4.01Å; L296-Y394 HydrophobicContact CD1-CG 4.42Å; V336-Y394 PolarHBondContact O-N 2.67Å; A337-Y394 CarbonylContact C-O 3.52Å; A337-Y394 WeakPolarHBondContact CA-O 3.43Å; V338-Y394 PolarHBondContact N-O 3.22Å; Y394-A396 HydrophobicContact CE1-CB 4.19Å; Y394-F417 CarbonylContact C-O 3.59Å; Y394-F417 WeakPolarHBondContact CA-O 3.25Å; Y394-F417 HydrophobicContact CD2-CB 4.2Å; Y394-F419 HydrophobicContact CE2-CB 4.26Å; Y394-F419 WeakPolarHBondContact OH-CB 3.48Å; Y394-D438 WeakPolarHBondContact CE1-OD1 3.41Å; Y394-D438 VanDerWaalsContact CZ-OD1 3.32Å; Y394-D438 PolarHBondContact OH-OD1 3.14Å; Y394-I441 HydrophobicContact CD1-CB 4.39Å; Y394-I441 HydrophobicContact CD1-CG2 3.69Å; Y394-I441 HydrophobicContact CD2-CG2 3.64Å; Y394-I441 HydrophobicContact CE1-CB 3.97Å; Y394-I441 HydrophobicContact CE1-CG2 3.7Å; Y394-I441 HydrophobicContact CE2-CB 4.31Å; Y394-I441 HydrophobicContact CE2-CD1 3.9Å; Y394-I441 HydrophobicContact CE2-CG2 3.64Å; Y394-I441 HydrophobicContact CG-CG2 3.65Å; Y394-I441 WeakPolarHBondContact OH-CD1 3.48Å
395L98.7Very high95.2Very high1 Ų158 Ų581%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-108117.9178.6-62.9-175.5000110.9V338 I393 L404 L407 L411 I416 F417 H418V338-L395 HydrophobicContact CB-CD2 3.76Å; V338-L395 HydrophobicContact CG1-CD2 4.42Å; V338-L395 HydrophobicContact CG2-CD2 4.22Å; V338-L395 WeakPolarHBondContact O-CA 3.07Å; I393-L395 HydrophobicContact CG2-CD2 3.71Å; I393-L395 HydrophobicContact CG2-CG 4.25Å; L395-L404 HydrophobicContact CD1-CD1 3.97Å; L395-L407 HydrophobicContact CD1-CD2 3.97Å; L395-L407 HydrophobicContact CD1-CG 4.33Å; L395-L411 HydrophobicContact CD1-CD1 4.39Å; L395-I416 HydrophobicContact CD1-CG2 3.37Å; L395-I416 HydrophobicContact CG-CG2 3.65Å; L395-F417 PolarHBondContact N-O 3.15Å; L395-H418 PolarHBondContact O-ND1 3.27Å
396A98Very high95.3Very high1 Ų153.1 Ų53.11%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-99.6118.3164.200000109V338 H339 W340 Y394 D438 F456V338-A396 PolarHBondContact O-N 3.41Å; H339-A396 CarbonylContact C-O 3.21Å; H339-A396 WeakPolarHBondContact CA-O 3.41Å; H339-A396 HydrophobicContact CB-CB 4.44Å; H339-A396 PolarHBondContact CD2-O 3.26Å; W340-A396 PolarHBondContact N-O 3.01Å; Y394-A396 HydrophobicContact CE1-CB 4.19Å; A396-D438 HydrophobicContact CB-CB 3.99Å; A396-F456 HydrophobicContact CB-CE1 4.33Å
397T95.5Very high95.4Very high9 Ų951.1 Ų51.16%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-157.8147.9-177-171.50000112.3W340 A399 L404W340-T397 VanDerWaalsContact O-CB 3.23Å; W340-T397 WeakPolarHBondContact O-CB 3.25Å; W340-T397 PolarHBondContact O-OG1 3.37Å; T397-A399 HydrophobicContact CG2-CB 4.04Å; T397-A399 WeakPolarHBondContact OG1-CB 3.38Å; T397-A399 PolarHBondContact OG1-N 3.27Å; T397-A399 VanDerWaalsContact OG1-N 3.13Å; T397-L404 HydrophobicContact CG2-CD1 3.95Å
398D91.1Very high95.5Very high5 Ų545.4 Ų45.43%0.02721%0.209CC..  trans-98.920.6168.865.4-43.8000112R341 R342 G343R341-D398 WeakPolarHBondContact CD-OD1 3.21Å; R341-D398 IonicContact CZ-OD1 3.63Å; R341-D398 IonicContact CZ-OD2 2.73Å; R341-D398 IonicContact NE-OD1 3.36Å; R341-D398 IonicContact NE-OD2 3.72Å; R341-D398 PolarHBondContact NE-OD2 3.48Å; R341-D398 IonicContact NH1-OD1 2.9Å; R341-D398 IonicContact NH1-OD2 3.29Å; R341-D398 PolarHBondContact NH1-OD2 3.41Å; R341-D398 IonicContact NH2-OD2 2.69Å; R341-D398 PolarHBondContact NH2-OD2 3.18Å; R342-D398 WeakPolarHBondContact CA-OD1 3.26Å; R342-D398 PolarHBondContact N-OD1 2.87Å; G343-D398 WeakPolarHBondContact CA-OD2 3.27Å; G343-D398 PolarHBondContact N-OD2 2.76Å; G343-D398 VanDerWaalsContact N-OD2 3.14Å
399A91.6Very high95.7Very high1 Ų141.6 Ų41.61%0.00820%0.2CC..  trans-64.9151.6172.200000111.1S81 W340 R342 T397 E403S81-A399 PolarHBondContact N-O 3.09Å; W340-A399 HydrophobicContact CE3-CB 4.34Å; W340-A399 HydrophobicContact CZ3-CB 4.05Å; R342-A399 HydrophobicContact CB-CB 3.97Å; R342-A399 HydrophobicContact CG-CB 3.91Å; T397-A399 HydrophobicContact CG2-CB 4.04Å; T397-A399 WeakPolarHBondContact OG1-CB 3.38Å; T397-A399 PolarHBondContact OG1-N 3.27Å; T397-A399 VanDerWaalsContact OG1-N 3.13Å; A399-E403 HydrophobicContact CB-CB 4.29Å; A399-E403 HydrophobicContact CB-CG 4.26Å
400D87.8Confident95.7Very high37 Ų3737.2 Ų37.220%0.19819%0.187CC..  trans-68.6160.9168.261.670.4000111R80 K402 E403 L404R80-D400 HydrophobicContact CB-CB 3.71Å; R80-D400 IonicContact NE-OD2 3.4Å; R80-D400 PolarHBondContact NE-OD2 2.81Å; R80-D400 IonicContact NH2-OD2 3.46Å; D400-K402 PolarHBondContact O-N 3.4Å; D400-K402 WeakPolarHBondContact OD1-CB 3.48Å; D400-K402 PolarHBondContact OD1-N 3.33Å; D400-K402 VanDerWaalsContact OD1-N 3.14Å; D400-E403 PolarHBondContact O-N 3.24Å; D400-E403 VanDerWaalsContact O-N 3.14Å; D400-E403 PolarHBondContact OD1-N 2.84Å; D400-L404 PolarHBondContact O-N 3Å
401K88.1Confident95.7Very high84 Ų8436.9 Ų36.937%0.36519%0.185SC..Hα-helixtrans-56.4-37.6-175.7-66.3-168174.3-1550113L404 E405K401-L404 PolarHBondContact O-N 3.3Å; K401-E405 WeakPolarHBondContact O-CB 2.96Å; K401-E405 VanDerWaalsContact O-CG 3.28Å; K401-E405 WeakPolarHBondContact O-CG 3.4Å; K401-E405 PolarHBondContact O-N 2.57Å
402K91.8Very high95.7Very high179 Ų17943.3 Ų43.378%0.77821%0.207SC*.Hα-helixtrans-67.8-43.2-178.6-178.3-176.8176.7-176.40110.9D400 N406D400-K402 PolarHBondContact O-N 3.4Å; D400-K402 WeakPolarHBondContact OD1-CB 3.48Å; D400-K402 PolarHBondContact OD1-N 3.33Å; D400-K402 VanDerWaalsContact OD1-N 3.14Å; K402-N406 WeakPolarHBondContact O-CB 3.28Å; K402-N406 PolarHBondContact O-N 2.81Å
403E92.9Very high95.5Very high34 Ų3447.4 Ų47.416%0.15923%0.233CC..Hα-helixtrans-67.7-39.9177.3-178.2166.6-118.900111.8W340 R342 A399 D400 N406 L407W340-E403 HydrophobicContact CH2-CG 3.42Å; W340-E403 VanDerWaalsContact CH2-CG 3.42Å; W340-E403 HydrophobicContact CZ2-CG 4.39Å; W340-E403 HydrophobicContact CZ3-CG 3.91Å; R342-E403 IonicContact CZ-OE1 2.78Å; R342-E403 IonicContact CZ-OE2 2.73Å; R342-E403 IonicContact NE-OE1 3.87Å; R342-E403 PolarHBondContact NE-OE1 3.33Å; R342-E403 IonicContact NE-OE2 3.5Å; R342-E403 PolarHBondContact NE-OE2 3.31Å; R342-E403 IonicContact NH2-OE1 3.57Å; R342-E403 PolarHBondContact NH2-OE1 3.4Å; R342-E403 IonicContact NH2-OE2 3.27Å; A399-E403 HydrophobicContact CB-CB 4.29Å; A399-E403 HydrophobicContact CB-CG 4.26Å; D400-E403 PolarHBondContact O-N 3.24Å; D400-E403 VanDerWaalsContact O-N 3.14Å; D400-E403 PolarHBondContact OD1-N 2.84Å; E403-N406 PolarHBondContact O-N 2.9Å; E403-L407 PolarHBondContact O-N 2.94Å
404L94.4Very high95.5Very high4 Ų448.3 Ų48.32%0.02124%0.238CC..Hα-helixtrans-61.2-49.1173.6175.658.1000112L395 T397 D400 K401 N406 L407 K408 H418L395-L404 HydrophobicContact CD1-CD1 3.97Å; T397-L404 HydrophobicContact CG2-CD1 3.95Å; D400-L404 PolarHBondContact O-N 3Å; K401-L404 PolarHBondContact O-N 3.3Å; L404-N406 VanDerWaalsContact C-N 3.29Å; L404-N406 PolarHBondContact O-N 2.8Å; L404-L407 PolarHBondContact O-N 3.18Å; L404-K408 HydrophobicContact CD1-CD 4.5Å; L404-K408 HydrophobicContact CD1-CG 4.3Å; L404-K408 HydrophobicContact CG-CD 4.37Å; L404-K408 WeakPolarHBondContact O-CG 3.4Å; L404-K408 PolarHBondContact O-N 2.78Å; L404-H418 HydrophobicContact CD2-CB 4.47Å
405E95.8Very high95.5Very high99 Ų9952.8 Ų52.846%0.46326%0.259SS..Hα-helixtrans-64.3-35.2178.7-70.6-51.1126.800112.3K401 K408 S409K401-E405 WeakPolarHBondContact O-CB 2.96Å; K401-E405 VanDerWaalsContact O-CG 3.28Å; K401-E405 WeakPolarHBondContact O-CG 3.4Å; K401-E405 PolarHBondContact O-N 2.57Å; E405-K408 PolarHBondContact O-N 3.5Å; E405-K408 WeakPolarHBondContact OE1-CD 3.39Å; E405-K408 IonicContact OE1-NZ 3.35Å; E405-K408 PolarHBondContact OE1-NZ 2.97Å; E405-S409 PolarHBondContact O-N 3.28Å
406N97.9Very high95.5Very high69 Ų6954.3 Ų54.337%0.36927%0.267SS..Hα-helixtrans-61.1-48.3172.4-173.427.8000111.2S368 K402 E403 L404 S409 L410S368-N406 PolarHBondContact OG-ND2 3.45Å; K402-N406 WeakPolarHBondContact O-CB 3.28Å; K402-N406 PolarHBondContact O-N 2.81Å; E403-N406 PolarHBondContact O-N 2.9Å; L404-N406 VanDerWaalsContact C-N 3.29Å; L404-N406 PolarHBondContact O-N 2.8Å; N406-S409 PolarHBondContact O-N 3.17Å; N406-S409 PolarHBondContact O-OG 2.82Å; N406-L410 VanDerWaalsContact O-CG 3.3Å; N406-L410 WeakPolarHBondContact O-CG 3.45Å; N406-L410 PolarHBondContact O-N 2.95Å; N406-L410 VanDerWaalsContact O-N 3.13Å
407L98.3Very high95.5Very high0 Ų056.5 Ų56.50%028%0.276CS..Hα-helixtrans-60.7-45.7176.5177.959.2000111.7W340 S368 A371 A372 I375 L395 E403 L404 S409 L410 L411W340-L407 HydrophobicContact CD2-CD2 3.83Å; W340-L407 HydrophobicContact CE3-CD2 3.3Å; W340-L407 HydrophobicContact CH2-CB 4.24Å; W340-L407 HydrophobicContact CH2-CD2 4.09Å; W340-L407 HydrophobicContact CZ3-CB 3.92Å; W340-L407 HydrophobicContact CZ3-CD2 3.44Å; W340-L407 VanDerWaalsContact CZ3-CD2 3.44Å; W340-L407 HydrophobicContact CZ3-CG 4.28Å; S368-L407 WeakPolarHBondContact O-CD1 3.37Å; A371-L407 HydrophobicContact CB-CD1 4.12Å; A372-L407 HydrophobicContact CB-CD1 3.85Å; I375-L407 HydrophobicContact CD1-CD1 4.38Å; I375-L407 HydrophobicContact CD1-CD2 4.49Å; L395-L407 HydrophobicContact CD1-CD2 3.97Å; L395-L407 HydrophobicContact CD1-CG 4.33Å; E403-L407 PolarHBondContact O-N 2.94Å; L404-L407 PolarHBondContact O-N 3.18Å; L407-S409 VanDerWaalsContact C-N 3.3Å; L407-S409 PolarHBondContact O-N 3.48Å; L407-L410 PolarHBondContact O-N 3.07Å; L407-L410 VanDerWaalsContact O-N 3.14Å; L407-L411 HydrophobicContact CD1-CD1 4.05Å; L407-L411 HydrophobicContact CD1-CG 4.14Å; L407-L411 HydrophobicContact CG-CD1 4.02Å; L407-L411 WeakPolarHBondContact O-CG 3.47Å; L407-L411 PolarHBondContact O-N 3.46Å
408K98.3Very high95.6Very high43 Ų4356.9 Ų56.919%0.18728%0.277CS..Hα-helixtrans-54.7-45.6175.3-72.4177.2-177.81690111.6L404 E405 L410 L411 I416L404-K408 HydrophobicContact CD1-CD 4.5Å; L404-K408 HydrophobicContact CD1-CG 4.3Å; L404-K408 HydrophobicContact CG-CD 4.37Å; L404-K408 WeakPolarHBondContact O-CG 3.4Å; L404-K408 PolarHBondContact O-N 2.78Å; E405-K408 PolarHBondContact O-N 3.5Å; E405-K408 WeakPolarHBondContact OE1-CD 3.39Å; E405-K408 IonicContact OE1-NZ 3.35Å; E405-K408 PolarHBondContact OE1-NZ 2.97Å; K408-L410 VanDerWaalsContact C-N 3.3Å; K408-L410 PolarHBondContact O-N 3.17Å; K408-L411 PolarHBondContact O-N 3.32Å; K408-I416 HydrophobicContact CG-CB 4.13Å; K408-I416 HydrophobicContact CG-CG2 3.8Å
409S98.3Very high95.8Very high77 Ų7757.1 Ų57.154%0.53828%0.278SS..Hα-helixtrans-62.5-36.6179.3840000113.1E405 N406 L407 L411E405-S409 PolarHBondContact O-N 3.28Å; N406-S409 PolarHBondContact O-N 3.17Å; N406-S409 PolarHBondContact O-OG 2.82Å; L407-S409 VanDerWaalsContact C-N 3.3Å; L407-S409 PolarHBondContact O-N 3.48Å; S409-L411 VanDerWaalsContact C-N 3.28Å; S409-L411 PolarHBondContact O-N 3.02Å
410L98.7Very high95.7Very high64 Ų6461.8 Ų61.834%0.33530%0.3SS..Hα-helixtrans-75.3-17.6-178.5-68.8165.2000112.8V369 A372 N406 L407 K408V369-L410 HydrophobicContact CG2-CD1 4.11Å; A372-L410 HydrophobicContact CB-CB 3.54Å; A372-L410 HydrophobicContact CB-CD1 4.28Å; N406-L410 VanDerWaalsContact O-CG 3.3Å; N406-L410 WeakPolarHBondContact O-CG 3.45Å; N406-L410 PolarHBondContact O-N 2.95Å; N406-L410 VanDerWaalsContact O-N 3.13Å; L407-L410 PolarHBondContact O-N 3.07Å; L407-L410 VanDerWaalsContact O-N 3.14Å; K408-L410 VanDerWaalsContact C-N 3.3Å; K408-L410 PolarHBondContact O-N 3.17Å
411L98.6Very high95.8Very high0 Ų060.4 Ų60.40%029%0.293CS..THydrogen-bonded Turntrans-91.7-1.3179.1-67.4173.2000113.7A372 I375 L376 L395 L407 K408 S409 L414 I416A372-L411 HydrophobicContact CB-CD2 4.11Å; A372-L411 HydrophobicContact CB-CG 4.49Å; I375-L411 HydrophobicContact CB-CD2 3.88Å; I375-L411 HydrophobicContact CD1-CD1 4.24Å; I375-L411 HydrophobicContact CD1-CD2 4.31Å; I375-L411 HydrophobicContact CG2-CD2 3.71Å; L376-L411 HydrophobicContact CD2-CD2 4.3Å; L376-L411 HydrophobicContact CG-CD2 4.03Å; L395-L411 HydrophobicContact CD1-CD1 4.39Å; L407-L411 HydrophobicContact CD1-CD1 4.05Å; L407-L411 HydrophobicContact CD1-CG 4.14Å; L407-L411 HydrophobicContact CG-CD1 4.02Å; L407-L411 WeakPolarHBondContact O-CG 3.47Å; L407-L411 PolarHBondContact O-N 3.46Å; K408-L411 PolarHBondContact O-N 3.32Å; S409-L411 VanDerWaalsContact C-N 3.28Å; S409-L411 PolarHBondContact O-N 3.02Å; L411-L414 VanDerWaalsContact O-CB 3.26Å; L411-L414 WeakPolarHBondContact O-CB 3.26Å; L411-L414 WeakPolarHBondContact O-CG 3.48Å; L411-L414 PolarHBondContact O-N 3.39Å; L411-I416 HydrophobicContact CB-CD1 3.69Å; L411-I416 HydrophobicContact CB-CG1 4.08Å; L411-I416 HydrophobicContact CD1-CD1 3.7Å; L411-I416 HydrophobicContact CD1-CG1 4.28Å; L411-I416 HydrophobicContact CG-CD1 4.33Å
412Y96.6Very high95.9Very high192 Ų19260 Ų6075%0.75330%0.297SS*.THydrogen-bonded Turntrans-55.2135.1175.2-179.9-89.5000111.3
413P96.5Very high95.6Very high96 Ų9657.3 Ų57.362%0.62329%0.287SS*.THydrogen-bonded Turncis-95.51613.538.8-37.3000116.1
414L98.4Very high95.4Very high19 Ų1963.6 Ų63.610%0.09932%0.315CS..SBendtrans-64.1149.5178.6-58.9175.9000111.7L376 V379 D391 I393 L411 I416L376-L414 HydrophobicContact CD2-CD1 3.81Å; L376-L414 HydrophobicContact CD2-CG 4.45Å; V379-L414 HydrophobicContact CG1-CD1 4.35Å; V379-L414 HydrophobicContact CG1-CD2 4.3Å; V379-L414 HydrophobicContact CG2-CD1 4.41Å; D391-L414 HydrophobicContact CB-CD2 4.17Å; D391-L414 CarbonylContact O-C 3.6Å; D391-L414 WeakPolarHBondContact O-CA 3.32Å; D391-L414 WeakPolarHBondContact O-CB 3.32Å; I393-L414 HydrophobicContact CD1-CD1 4.14Å; I393-L414 HydrophobicContact CG1-CB 4.15Å; I393-L414 HydrophobicContact CG1-CD1 3.88Å; L411-L414 VanDerWaalsContact O-CB 3.26Å; L411-L414 WeakPolarHBondContact O-CB 3.26Å; L411-L414 WeakPolarHBondContact O-CG 3.48Å; L411-L414 PolarHBondContact O-N 3.39Å; L414-I416 HydrophobicContact CB-CD1 3.85Å
415Q98.4Very high95.2Very high94 Ų9466.5 Ų66.544%0.43933%0.328SS..EExtended strand (participates in β ladder)trans-86116.8176.2-57.2-17424.100109.5D391 I393 F417D391-Q415 PolarHBondContact O-N 3.4Å; D391-Q415 PolarHBondContact OD2-NE2 2.89Å; I393-Q415 PolarHBondContact N-O 3.05Å; Q415-F417 HydrophobicContact CB-CE2 3.97Å
416I98.5Very high94.8Very high34 Ų3462.2 Ų62.217%0.17431%0.308CS..EExtended strand (participates in β ladder)trans-110.3123.8-172.2-45.6-56.9000111.2I393 L395 K408 L411 L414I393-I416 HydrophobicContact CB-CD1 3.62Å; I393-I416 HydrophobicContact CG1-CD1 3.72Å; I393-I416 HydrophobicContact CG2-CD1 4.32Å; I393-I416 WeakPolarHBondContact O-CA 3.27Å; L395-I416 HydrophobicContact CD1-CG2 3.37Å; L395-I416 HydrophobicContact CG-CG2 3.65Å; K408-I416 HydrophobicContact CG-CB 4.13Å; K408-I416 HydrophobicContact CG-CG2 3.8Å; L411-I416 HydrophobicContact CB-CD1 3.69Å; L411-I416 HydrophobicContact CB-CG1 4.08Å; L411-I416 HydrophobicContact CD1-CD1 3.7Å; L411-I416 HydrophobicContact CD1-CG1 4.28Å; L411-I416 HydrophobicContact CG-CD1 4.33Å; L414-I416 HydrophobicContact CB-CD1 3.85Å
417F98.5Very high94.1Very high47 Ų4764.2 Ų64.221%0.20632%0.317CS..EExtended strand (participates in β ladder)trans-114.8146.6178.3-67.5-89.6000110.7Y295 L296 T392 I393 Y394 L395 Q415Y295-F417 HydrophobicContact CD1-CE1 4.2Å; Y295-F417 HydrophobicContact CG-CD1 4.47Å; Y295-F417 HydrophobicContact CG-CE1 4.4Å; Y295-F417 WeakPolarHBondContact O-CZ 3.45Å; L296-F417 HydrophobicContact CD2-CB 3.94Å; L296-F417 HydrophobicContact CD2-CD1 4.46Å; L296-F417 HydrophobicContact CD2-CD2 3.79Å; L296-F417 HydrophobicContact CD2-CE2 4.43Å; L296-F417 HydrophobicContact CD2-CG 3.8Å; T392-F417 HydrophobicContact CG2-CD2 3.77Å; T392-F417 HydrophobicContact CG2-CE2 3.76Å; I393-F417 PolarHBondContact O-N 2.82Å; Y394-F417 CarbonylContact C-O 3.59Å; Y394-F417 WeakPolarHBondContact CA-O 3.25Å; Y394-F417 HydrophobicContact CD2-CB 4.2Å; L395-F417 PolarHBondContact N-O 3.15Å; Q415-F417 HydrophobicContact CB-CE2 3.97Å
418H96.8Very high93.7Very high17 Ų1767.3 Ų67.38%0.07934%0.339CS..  trans-149.7131.6175172.862.1000107.3Y291 L395 L404 E420Y291-H418 PolarHBondContact OH-O 2.71Å; L395-H418 PolarHBondContact O-ND1 3.27Å; L404-H418 HydrophobicContact CD2-CB 4.47Å; H418-E420 IonicContact CD2-OE1 3.88Å; H418-E420 PolarHBondContact O-N 3.24Å
419F95.2Very high93.3Very high9 Ų965.4 Ų65.44%0.03933%0.331CS..  trans-71.5118.1179.3180-99.2000110.5I287 Y291 Y394 P421 Y429 I437 I441I287-F419 HydrophobicContact CG2-CE2 3.99Å; I287-F419 HydrophobicContact CG2-CZ 3.95Å; Y291-F419 AromaticContact CD2-CD2 3.56Å; Y291-F419 HydrophobicContact CD2-CD2 3.56Å; Y291-F419 HydrophobicContact CD2-CE2 4.14Å; Y291-F419 HydrophobicContact CE2-CB 4.41Å; Y291-F419 AromaticContact CE2-CD2 3.83Å; Y291-F419 HydrophobicContact CE2-CD2 3.83Å; Y291-F419 HydrophobicContact CG-CD2 4.17Å; Y394-F419 HydrophobicContact CE2-CB 4.26Å; Y394-F419 WeakPolarHBondContact OH-CB 3.48Å; F419-P421 HydrophobicContact CE1-CB 4.1Å; F419-P421 HydrophobicContact CE1-CG 4.46Å; F419-P421 HydrophobicContact CZ-CB 4.47Å; F419-Y429 WeakPolarHBondContact CE1-OH 3.08Å; F419-Y429 WeakPolarHBondContact CZ-OH 3.35Å; F419-I437 HydrophobicContact CD1-CG2 4.03Å; F419-I437 HydrophobicContact CD2-CG2 3.97Å; F419-I437 HydrophobicContact CE1-CB 4.34Å; F419-I437 HydrophobicContact CE1-CD1 3.94Å; F419-I437 HydrophobicContact CE1-CG2 3.97Å; F419-I437 HydrophobicContact CE2-CG2 3.92Å; F419-I437 HydrophobicContact CG-CG2 4.03Å; F419-I437 HydrophobicContact CZ-CD1 3.86Å; F419-I437 HydrophobicContact CZ-CG2 3.91Å; F419-I441 HydrophobicContact CB-CD1 4.46Å; F419-I441 HydrophobicContact CD2-CD1 4.49Å
420E91Very high92.8Very high99 Ų9961.8 Ų61.846%0.46331%0.305SS..  trans-121.1110.1174.8-69.4-170.5-157.500109.7H418H418-E420 IonicContact CD2-OE1 3.88Å; H418-E420 PolarHBondContact O-N 3.24Å
421P89.7Confident92.3Very high8 Ų858.9 Ų58.95%0.05229%0.29CS..  trans-72142.6178.932-32.9000111.4Y82 Y85 F419 E425 W426 Y429Y82-P421 HydrophobicContact CD1-CG 4.13Å; Y82-P421 HydrophobicContact CE1-CG 3.65Å; Y85-P421 PolarHBondContact OH-O 3.34Å; F419-P421 HydrophobicContact CE1-CB 4.1Å; F419-P421 HydrophobicContact CE1-CG 4.46Å; F419-P421 HydrophobicContact CZ-CB 4.47Å; P421-E425 HydrophobicContact CB-CB 4.06Å; P421-W426 HydrophobicContact CG-CE3 3.94Å; P421-Y429 HydrophobicContact CB-CE2 4.4Å; P421-Y429 WeakPolarHBondContact CB-OH 3.47Å
422T89.7Confident91.9Very high75 Ų7558.9 Ų58.946%0.4629%0.29SS..  trans-64.6165.7164.264.20000110.9F424 E425 W426T422-F424 VanDerWaalsContact C-N 3.26Å; T422-F424 PolarHBondContact O-N 2.75Å; T422-E425 WeakPolarHBondContact CB-OE2 3.41Å; T422-E425 WeakPolarHBondContact CG2-OE2 3.46Å; T422-E425 PolarHBondContact N-OE2 3.19Å; T422-E425 PolarHBondContact O-N 2.79Å; T422-E425 WeakPolarHBondContact OG1-CB 3.37Å; T422-E425 VanDerWaalsContact OG1-CD 3.26Å; T422-E425 VanDerWaalsContact OG1-CG 3.26Å; T422-E425 WeakPolarHBondContact OG1-CG 3Å; T422-E425 PolarHBondContact OG1-N 2.86Å; T422-E425 PolarHBondContact OG1-OE2 3.21Å; T422-W426 WeakPolarHBondContact O-CB 3.47Å; T422-W426 PolarHBondContact O-N 3.09Å
423E84.7Confident91.8Very high123 Ų12349.8 Ų49.858%0.57525%0.254SS*.Hα-helixtrans-60-39.2179-173.5172.1-174.700112.1Y85 W426 I427Y85-E423 HydrophobicContact CD1-CB 4.49Å; Y85-E423 HydrophobicContact CD1-CG 4.19Å; Y85-E423 HydrophobicContact CE1-CB 3.6Å; Y85-E423 HydrophobicContact CE1-CG 3.74Å; Y85-E423 PolarHBondContact OH-N 2.79Å; Y85-E423 VanDerWaalsContact OH-N 3.08Å; E423-W426 PolarHBondContact O-N 2.89Å; E423-I427 HydrophobicContact CG-CD1 4.14Å; E423-I427 WeakPolarHBondContact O-CD1 3.37Å; E423-I427 VanDerWaalsContact O-CG1 3.25Å; E423-I427 WeakPolarHBondContact O-CG1 3.42Å; E423-I427 PolarHBondContact O-N 2.83Å
424F88.3Confident91.7Very high167 Ų16745.2 Ų45.273%0.73223%0.225SC*.Hα-helixtrans-64.9-46.4177.5176.7-98000111.9T422 I427 S428T422-F424 VanDerWaalsContact C-N 3.26Å; T422-F424 PolarHBondContact O-N 2.75Å; F424-I427 PolarHBondContact O-N 2.92Å; F424-S428 PolarHBondContact O-N 2.91Å; F424-S428 VanDerWaalsContact O-N 3.12Å
425E90.3Very high91.5Very high65 Ų6545.2 Ų45.230%0.30423%0.228SC..Hα-helixtrans-63.6-42.5176.5-73166.9146.200111.5P421 T422 I427 S428 Y429P421-E425 HydrophobicContact CB-CB 4.06Å; T422-E425 WeakPolarHBondContact CB-OE2 3.41Å; T422-E425 WeakPolarHBondContact CG2-OE2 3.46Å; T422-E425 PolarHBondContact N-OE2 3.19Å; T422-E425 PolarHBondContact O-N 2.79Å; T422-E425 WeakPolarHBondContact OG1-CB 3.37Å; T422-E425 VanDerWaalsContact OG1-CD 3.26Å; T422-E425 VanDerWaalsContact OG1-CG 3.26Å; T422-E425 WeakPolarHBondContact OG1-CG 3Å; T422-E425 PolarHBondContact OG1-N 2.86Å; T422-E425 PolarHBondContact OG1-OE2 3.21Å; E425-I427 VanDerWaalsContact C-N 3.34Å; E425-I427 PolarHBondContact O-N 3.25Å; E425-S428 VanDerWaalsContact O-CB 3.32Å; E425-S428 WeakPolarHBondContact O-CB 3.35Å; E425-S428 PolarHBondContact O-N 3.44Å; E425-Y429 HydrophobicContact CB-CE1 3.76Å; E425-Y429 WeakPolarHBondContact CB-OH 2.95Å; E425-Y429 HydrophobicContact CG-CE1 4.4Å; E425-Y429 VanDerWaalsContact O-CD1 3.28Å; E425-Y429 WeakPolarHBondContact O-CD1 3.38Å; E425-Y429 WeakPolarHBondContact O-CE1 3.41Å; E425-Y429 PolarHBondContact O-N 2.02Å
426W87.1Confident91.4Very high9 Ų940.8 Ų40.83%0.03421%0.207CC..Hα-helixtrans-57.8-45.6174.5178.5-94.1000111.8Y82 Y85 T86 W94 P421 T422 E423 S428 G430 P431Y82-W426 AromaticContact CD1-CE3 3.99Å; Y82-W426 HydrophobicContact CD1-CE3 3.99Å; Y82-W426 HydrophobicContact CD1-CH2 4.31Å; Y82-W426 AromaticContact CD1-CZ3 3.6Å; Y82-W426 HydrophobicContact CD1-CZ3 3.6Å; Y82-W426 HydrophobicContact CD2-CE3 4.37Å; Y82-W426 AromaticContact CD2-CH2 3.41Å; Y82-W426 HydrophobicContact CD2-CH2 3.41Å; Y82-W426 VanDerWaalsContact CD2-CH2 3.41Å; Y82-W426 AromaticContact CD2-CZ3 3.24Å; Y82-W426 HydrophobicContact CD2-CZ3 3.24Å; Y82-W426 HydrophobicContact CE1-CE3 4.38Å; Y82-W426 AromaticContact CE1-CZ3 3.99Å; Y82-W426 HydrophobicContact CE1-CZ3 3.99Å; Y82-W426 HydrophobicContact CE2-CH2 4.17Å; Y82-W426 AromaticContact CE2-CZ3 3.64Å; Y82-W426 HydrophobicContact CE2-CZ3 3.64Å; Y82-W426 AromaticContact CG-CE3 3.99Å; Y82-W426 HydrophobicContact CG-CE3 3.99Å; Y82-W426 AromaticContact CG-CH2 3.48Å; Y82-W426 HydrophobicContact CG-CH2 3.48Å; Y82-W426 VanDerWaalsContact CG-CH2 3.48Å; Y82-W426 HydrophobicContact CG-CZ2 4.49Å; Y82-W426 AromaticContact CG-CZ3 3.2Å; Y82-W426 HydrophobicContact CG-CZ3 3.2Å; Y82-W426 AromaticContact CZ-CZ3 4Å; Y85-W426 VanDerWaalsContact CB-CD1 3.48Å; Y85-W426 VanDerWaalsContact CB-NE1 3.25Å; Y85-W426 HydrophobicContact CD2-CB 3.96Å; Y85-W426 AromaticContact CD2-CD2 3.72Å; Y85-W426 HydrophobicContact CD2-CD2 3.72Å; Y85-W426 HydrophobicContact CD2-CE3 4.14Å; Y85-W426 AromaticContact CD2-CG 3.63Å; Y85-W426 HydrophobicContact CD2-CG 3.63Å; Y85-W426 HydrophobicContact CE2-CB 4.08Å; Y85-W426 HydrophobicContact CE2-CG 4.26Å; Y85-W426 HydrophobicContact CG-CB 4.31Å; Y85-W426 AromaticContact CG-CD1 3.74Å; Y85-W426 HydrophobicContact CG-CD2 4.12Å; Y85-W426 AromaticContact CG-CG 3.79Å; Y85-W426 HydrophobicContact CG-CG 3.79Å; T86-W426 HydrophobicContact CG2-CH2 4.3Å; T86-W426 HydrophobicContact CG2-CZ2 4.05Å; W94-W426 AromaticContact CE2-NE1 3.98Å; W94-W426 WeakPolarHBondContact CH2-O 3.23Å; W94-W426 AromaticContact CZ2-CD1 3.89Å; W94-W426 AromaticContact CZ2-NE1 3.61Å; W94-W426 WeakPolarHBondContact CZ2-O 3.49Å; W94-W426 AromaticContact NE1-NE1 3.86Å; P421-W426 HydrophobicContact CG-CE3 3.94Å; T422-W426 WeakPolarHBondContact O-CB 3.47Å; T422-W426 PolarHBondContact O-N 3.09Å; E423-W426 PolarHBondContact O-N 2.89Å; W426-S428 PolarHBondContact O-N 2.9Å; W426-G430 WeakPolarHBondContact O-CA 3.43Å; W426-G430 PolarHBondContact O-N 3.26Å; W426-P431 HydrophobicContact CH2-CB 3.69Å; W426-P431 HydrophobicContact CH2-CG 4.19Å; W426-P431 HydrophobicContact CZ2-CB 4.32Å; W426-P431 HydrophobicContact CZ2-CG 4.33Å; W426-P431 HydrophobicContact CZ3-CB 4.28Å
427I85.1Confident91.4Very high111 Ų11139.1 Ų39.157%0.56920%0.199SC*.Hα-helixtrans-61.5-30.9176.2-70.5164.5000111.5E423 F424 E425E423-I427 HydrophobicContact CG-CD1 4.14Å; E423-I427 WeakPolarHBondContact O-CD1 3.37Å; E423-I427 VanDerWaalsContact O-CG1 3.25Å; E423-I427 WeakPolarHBondContact O-CG1 3.42Å; E423-I427 PolarHBondContact O-N 2.83Å; F424-I427 PolarHBondContact O-N 2.92Å; E425-I427 VanDerWaalsContact C-N 3.34Å; E425-I427 PolarHBondContact O-N 3.25Å
428S88.7Confident91.4Very high65 Ų6537.3 Ų37.346%0.45519%0.191SC..Hα-helixtrans-72.1-44.4-176.5-171.10000113.7F424 E425 W426F424-S428 PolarHBondContact O-N 2.91Å; F424-S428 VanDerWaalsContact O-N 3.12Å; E425-S428 VanDerWaalsContact O-CB 3.32Å; E425-S428 WeakPolarHBondContact O-CB 3.35Å; E425-S428 PolarHBondContact O-N 3.44Å; W426-S428 PolarHBondContact O-N 2.9Å
429Y90Very high91.5Very high3 Ų336.8 Ų36.81%0.01219%0.188CC..Hα-helixtrans-133.8-10-170.654.8-109.6000114.3L284 I287 F419 P421 E425 G433 S434 I437L284-Y429 HydrophobicContact CD2-CD1 4.39Å; L284-Y429 HydrophobicContact CD2-CG 4.11Å; I287-Y429 HydrophobicContact CD1-CD1 3.91Å; I287-Y429 HydrophobicContact CD1-CE1 3.69Å; F419-Y429 WeakPolarHBondContact CE1-OH 3.08Å; F419-Y429 WeakPolarHBondContact CZ-OH 3.35Å; P421-Y429 HydrophobicContact CB-CE2 4.4Å; P421-Y429 WeakPolarHBondContact CB-OH 3.47Å; E425-Y429 HydrophobicContact CB-CE1 3.76Å; E425-Y429 WeakPolarHBondContact CB-OH 2.95Å; E425-Y429 HydrophobicContact CG-CE1 4.4Å; E425-Y429 VanDerWaalsContact O-CD1 3.28Å; E425-Y429 WeakPolarHBondContact O-CD1 3.38Å; E425-Y429 WeakPolarHBondContact O-CE1 3.41Å; E425-Y429 PolarHBondContact O-N 2.02Å; Y429-G433 WeakPolarHBondContact O-CA 3.12Å; Y429-G433 PolarHBondContact O-N 3.19Å; Y429-S434 WeakPolarHBondContact CE2-OG 3.38Å; Y429-I437 HydrophobicContact CD2-CD1 4.22Å; Y429-I437 HydrophobicContact CE1-CD1 4.17Å; Y429-I437 HydrophobicContact CE2-CD1 3.75Å
430G88.5Confident91.7Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans61.1-164170.300000115.4W94 W426 G432 G433 S434W94-G430 VanDerWaalsContact CZ3-CA 3.42Å; W426-G430 WeakPolarHBondContact O-CA 3.43Å; W426-G430 PolarHBondContact O-N 3.26Å; G430-G432 VanDerWaalsContact C-N 3.32Å; G430-G432 PolarHBondContact O-N 2.99Å; G430-G433 PolarHBondContact O-N 3.38Å; G430-S434 PolarHBondContact O-N 3.32Å; G430-S434 PolarHBondContact O-OG 3.06Å
431P87.9Confident92.1Very high4 Ų432.2 Ų32.23%0.02617%0.167CC..Hα-helixtrans-63.7-36.1-17623-32.8000112.9W76 W426 A435W76-P431 HydrophobicContact CB-CB 3.78Å; W76-P431 HydrophobicContact CB-CG 3.62Å; W76-P431 HydrophobicContact CD2-CB 4.02Å; W76-P431 HydrophobicContact CD2-CG 3.49Å; W76-P431 VanDerWaalsContact CD2-CG 3.49Å; W76-P431 HydrophobicContact CE3-CG 3.66Å; W76-P431 HydrophobicContact CG-CB 3.63Å; W76-P431 HydrophobicContact CG-CG 3.51Å; W76-P431 HydrophobicContact CZ3-CG 4.42Å; W426-P431 HydrophobicContact CH2-CB 3.69Å; W426-P431 HydrophobicContact CH2-CG 4.19Å; W426-P431 HydrophobicContact CZ2-CB 4.32Å; W426-P431 HydrophobicContact CZ2-CG 4.33Å; W426-P431 HydrophobicContact CZ3-CB 4.28Å; P431-A435 VanDerWaalsContact O-CB 3.23Å; P431-A435 WeakPolarHBondContact O-CB 3.39Å; P431-A435 PolarHBondContact O-N 2.74Å
432G91Very high92.5Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-64-41.8176.200000112.8G430 I436G430-G432 VanDerWaalsContact C-N 3.32Å; G430-G432 PolarHBondContact O-N 2.99Å; G432-I436 WeakPolarHBondContact O-CG1 3.48Å; G432-I436 PolarHBondContact O-N 3.38Å; G432-I436 VanDerWaalsContact O-N 3.13Å
433G94.2Very high92.9Very high0 Ų028.2 Ų28.20%014%0.142CC..Hα-helixtrans-68.6-45.6176.900000112.2F102 Y429 G430 A435 I436 I437F102-G433 VanDerWaalsContact CE1-N 3.28Å; Y429-G433 WeakPolarHBondContact O-CA 3.12Å; Y429-G433 PolarHBondContact O-N 3.19Å; G430-G433 PolarHBondContact O-N 3.38Å; G433-A435 VanDerWaalsContact C-N 3.29Å; G433-A435 PolarHBondContact O-N 3.07Å; G433-I436 WeakPolarHBondContact O-CB 3.49Å; G433-I436 PolarHBondContact O-N 3.35Å; G433-I437 WeakPolarHBondContact O-CG1 3.41Å; G433-I437 PolarHBondContact O-N 2.76Å
434S93.3Very high93.6Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-55.9-45.5174.1-60.30000111.6Y82 Y429 G430 I436 I437 D438Y82-S434 WeakPolarHBondContact OH-CB 3.32Å; Y429-S434 WeakPolarHBondContact CE2-OG 3.38Å; G430-S434 PolarHBondContact O-N 3.32Å; G430-S434 PolarHBondContact O-OG 3.06Å; S434-I436 VanDerWaalsContact C-N 3.26Å; S434-I436 PolarHBondContact O-N 2.91Å; S434-I437 PolarHBondContact O-N 3.2Å; S434-D438 PolarHBondContact O-N 3.46Å
435A94Very high94.1Very high20 Ų2014.4 Ų14.417%0.1658%0.08CC..Hα-helixtrans-61.6-31.9177.100000113.1P431 G433 Q439 F456P431-A435 VanDerWaalsContact O-CB 3.23Å; P431-A435 WeakPolarHBondContact O-CB 3.39Å; P431-A435 PolarHBondContact O-N 2.74Å; G433-A435 VanDerWaalsContact C-N 3.29Å; G433-A435 PolarHBondContact O-N 3.07Å; A435-Q439 VanDerWaalsContact O-CG 3.28Å; A435-Q439 WeakPolarHBondContact O-CG 3.32Å; A435-Q439 PolarHBondContact O-N 2.5Å; A435-Q439 PolarHBondContact O-NE2 2.97Å; A435-F456 HydrophobicContact CB-CE2 3.95Å; A435-F456 VanDerWaalsContact O-CE2 3.27Å; A435-F456 WeakPolarHBondContact O-CE2 3.46Å; A435-F456 VanDerWaalsContact O-CZ 3.31Å; A435-F456 WeakPolarHBondContact O-CZ 3.23Å
436I97.7Very high94.5Very high0 Ų012.8 Ų12.80%07%0.071CC..Hα-helixtrans-75.6-40.1175.1-77.7178.4000111.4F22 F102 F103 I280 L284 G432 G433 S434 D438 Q439 W440F22-I436 HydrophobicContact CE1-CD1 3.9Å; F22-I436 HydrophobicContact CE1-CG1 3.81Å; F22-I436 HydrophobicContact CZ-CD1 3.8Å; F22-I436 HydrophobicContact CZ-CG1 4.23Å; F102-I436 HydrophobicContact CB-CD1 3.5Å; F102-I436 VanDerWaalsContact CB-CD1 3.5Å; F102-I436 HydrophobicContact CD1-CD1 3.94Å; F102-I436 HydrophobicContact CG-CD1 3.95Å; F103-I436 HydrophobicContact CE1-CD1 3.98Å; F103-I436 HydrophobicContact CZ-CD1 3.81Å; I280-I436 HydrophobicContact CB-CG2 4.24Å; I280-I436 HydrophobicContact CD1-CG2 3.93Å; I280-I436 HydrophobicContact CG1-CG2 3.87Å; I280-I436 HydrophobicContact CG2-CG2 3.33Å; L284-I436 HydrophobicContact CB-CG2 3.96Å; L284-I436 HydrophobicContact CD1-CB 4.03Å; L284-I436 HydrophobicContact CD1-CD1 3.98Å; L284-I436 HydrophobicContact CD1-CG2 3.69Å; L284-I436 HydrophobicContact CG-CG2 4.46Å; G432-I436 WeakPolarHBondContact O-CG1 3.48Å; G432-I436 PolarHBondContact O-N 3.38Å; G432-I436 VanDerWaalsContact O-N 3.13Å; G433-I436 WeakPolarHBondContact O-CB 3.49Å; G433-I436 PolarHBondContact O-N 3.35Å; S434-I436 VanDerWaalsContact C-N 3.26Å; S434-I436 PolarHBondContact O-N 2.91Å; I436-D438 VanDerWaalsContact C-N 3.34Å; I436-Q439 WeakPolarHBondContact O-CB 3.5Å; I436-Q439 PolarHBondContact O-N 2.73Å; I436-W440 WeakPolarHBondContact O-CB 3.38Å; I436-W440 PolarHBondContact O-N 3.5Å
437I98.6Very high95.1Very high0 Ų013.1 Ų13.10%07%0.073CC..Hα-helixtrans-61.1-45.8176.4-67.9158.5000109.8L284 I287 F419 Y429 G433 S434 Q439 W440 I441L284-I437 HydrophobicContact CB-CG1 4.49Å; L284-I437 HydrophobicContact CD2-CD1 4.24Å; L284-I437 HydrophobicContact CD2-CG1 4.4Å; I287-I437 HydrophobicContact CB-CD1 4.15Å; I287-I437 HydrophobicContact CB-CG1 4.36Å; I287-I437 HydrophobicContact CD1-CD1 4.19Å; I287-I437 HydrophobicContact CG2-CD1 3.67Å; I287-I437 HydrophobicContact CG2-CG1 4.15Å; I287-I437 HydrophobicContact CG2-CG2 4.31Å; F419-I437 HydrophobicContact CD1-CG2 4.03Å; F419-I437 HydrophobicContact CD2-CG2 3.97Å; F419-I437 HydrophobicContact CE1-CB 4.34Å; F419-I437 HydrophobicContact CE1-CD1 3.94Å; F419-I437 HydrophobicContact CE1-CG2 3.97Å; F419-I437 HydrophobicContact CE2-CG2 3.92Å; F419-I437 HydrophobicContact CG-CG2 4.03Å; F419-I437 HydrophobicContact CZ-CD1 3.86Å; F419-I437 HydrophobicContact CZ-CG2 3.91Å; Y429-I437 HydrophobicContact CD2-CD1 4.22Å; Y429-I437 HydrophobicContact CE1-CD1 4.17Å; Y429-I437 HydrophobicContact CE2-CD1 3.75Å; G433-I437 WeakPolarHBondContact O-CG1 3.41Å; G433-I437 PolarHBondContact O-N 2.76Å; S434-I437 PolarHBondContact O-N 3.2Å; I437-Q439 VanDerWaalsContact C-N 3.34Å; I437-Q439 PolarHBondContact O-N 3.27Å; I437-W440 PolarHBondContact O-N 2.8Å; I437-I441 HydrophobicContact CG2-CD1 3.7Å; I437-I441 HydrophobicContact CG2-CG1 4.44Å; I437-I441 WeakPolarHBondContact O-CG1 3.3Å; I437-I441 PolarHBondContact O-N 2.99Å
438D98.3Very high95.7Very high9 Ų97.9 Ų7.95%0.0485%0.045CC..Hα-helixtrans-56.5-45.5172.7-93-40.3000112.3Y394 A396 S434 I436 W440 C442 F456Y394-D438 WeakPolarHBondContact CE1-OD1 3.41Å; Y394-D438 VanDerWaalsContact CZ-OD1 3.32Å; Y394-D438 PolarHBondContact OH-OD1 3.14Å; A396-D438 HydrophobicContact CB-CB 3.99Å; S434-D438 PolarHBondContact O-N 3.46Å; I436-D438 VanDerWaalsContact C-N 3.34Å; D438-W440 VanDerWaalsContact C-N 3.32Å; D438-W440 PolarHBondContact O-N 2.74Å; D438-C442 VanDerWaalsContact O-CB 3.25Å; D438-C442 WeakPolarHBondContact O-CB 3.37Å; D438-C442 PolarHBondContact O-N 3.32Å; D438-C442 PolarHBondContact O-SG 3.19Å; D438-F456 HydrophobicContact CB-CE1 4.41Å; D438-F456 HydrophobicContact CB-CZ 3.73Å
439Q98.5Very high96.2Very high5 Ų54.8 Ų4.82%0.0232%0.024CC..Hα-helixtrans-60.9-43.8177.2-76.716660.500111.7R26 A435 I436 I437 C442 A443 F456 I460R26-Q439 VanDerWaalsContact CZ-OE1 3.25Å; A435-Q439 VanDerWaalsContact O-CG 3.28Å; A435-Q439 WeakPolarHBondContact O-CG 3.32Å; A435-Q439 PolarHBondContact O-N 2.5Å; A435-Q439 PolarHBondContact O-NE2 2.97Å; I436-Q439 WeakPolarHBondContact O-CB 3.5Å; I436-Q439 PolarHBondContact O-N 2.73Å; I437-Q439 VanDerWaalsContact C-N 3.34Å; I437-Q439 PolarHBondContact O-N 3.27Å; Q439-C442 PolarHBondContact O-N 3.05Å; Q439-A443 WeakPolarHBondContact O-CB 3.39Å; Q439-A443 PolarHBondContact O-N 3.3Å; Q439-F456 HydrophobicContact CG-CD1 4.4Å; Q439-F456 HydrophobicContact CG-CD2 4.33Å; Q439-F456 HydrophobicContact CG-CE1 3.89Å; Q439-F456 HydrophobicContact CG-CE2 3.78Å; Q439-F456 HydrophobicContact CG-CZ 3.54Å; Q439-I460 HydrophobicContact CB-CG1 4.08Å; Q439-I460 HydrophobicContact CG-CD1 4.39Å; Q439-I460 HydrophobicContact CG-CG1 3.85Å
440W98.8Very high96.5Very high12 Ų124.6 Ų4.65%0.0452%0.023CC..Hα-helixtrans-64.2-47.9-178.9-170.2-109.6000111.2I280 R285 D289 I436 I437 D438 C442 A443 H444 E463I280-W440 HydrophobicContact CD1-CD2 4.49Å; I280-W440 HydrophobicContact CD1-CE3 3.67Å; I280-W440 HydrophobicContact CD1-CZ3 4.34Å; R285-W440 HydrophobicContact CB-CZ2 4.2Å; R285-W440 VanDerWaalsContact CD-CH2 3.45Å; R285-W440 VanDerWaalsContact CD-CZ2 3.47Å; R285-W440 HydrophobicContact CG-CD2 4Å; R285-W440 HydrophobicContact CG-CE3 4.27Å; R285-W440 HydrophobicContact CG-CH2 4.13Å; R285-W440 HydrophobicContact CG-CZ2 3.85Å; R285-W440 HydrophobicContact CG-CZ3 4.32Å; D289-W440 PolarHBondContact OD1-NE1 3.3Å; I436-W440 WeakPolarHBondContact O-CB 3.38Å; I436-W440 PolarHBondContact O-N 3.5Å; I437-W440 PolarHBondContact O-N 2.8Å; D438-W440 VanDerWaalsContact C-N 3.32Å; D438-W440 PolarHBondContact O-N 2.74Å; W440-C442 PolarHBondContact O-N 3.04Å; W440-A443 PolarHBondContact O-N 3.34Å; W440-H444 AromaticContact CD2-CE1 3.59Å; W440-H444 AromaticContact CD2-ND1 3.97Å; W440-H444 AromaticContact CE2-CE1 3.28Å; W440-H444 AromaticContact CE2-ND1 3.91Å; W440-H444 AromaticContact CE3-CE1 3.81Å; W440-H444 AromaticContact CH2-CE1 3.52Å; W440-H444 AromaticContact CZ2-CE1 3.26Å; W440-H444 WeakPolarHBondContact CZ2-CE1 3.46Å; W440-H444 AromaticContact CZ2-NE2 3.7Å; W440-H444 AromaticContact CZ3-CE1 3.79Å; W440-H444 AromaticContact NE1-CE1 3.84Å; W440-H444 PolarHBondContact O-N 3.18Å; W440-H444 PolarHBondContact O-ND1 2.88Å; W440-E463 HydrophobicContact CZ3-CG 4.42Å
441I98.9Very high96.8Very high0 Ų04.6 Ų4.60%02%0.023CC..Hα-helixtrans-62.8-44176.5-63163.5000110.3Y291 R292 L296 Y335 Y394 F419 I437 A443 H444Y291-I441 HydrophobicContact CD1-CD1 3.63Å; Y291-I441 HydrophobicContact CD1-CG1 4.4Å; Y291-I441 HydrophobicContact CE1-CD1 4.29Å; Y291-I441 HydrophobicContact CG-CD1 3.92Å; R292-I441 HydrophobicContact CG-CG1 4.29Å; R292-I441 HydrophobicContact CG-CG2 4.35Å; L296-I441 HydrophobicContact CD1-CG2 3.62Å; Y335-I441 HydrophobicContact CE2-CG2 4.12Å; Y335-I441 PolarHBondContact OH-O 3.23Å; Y394-I441 HydrophobicContact CD1-CB 4.39Å; Y394-I441 HydrophobicContact CD1-CG2 3.69Å; Y394-I441 HydrophobicContact CD2-CG2 3.64Å; Y394-I441 HydrophobicContact CE1-CB 3.97Å; Y394-I441 HydrophobicContact CE1-CG2 3.7Å; Y394-I441 HydrophobicContact CE2-CB 4.31Å; Y394-I441 HydrophobicContact CE2-CD1 3.9Å; Y394-I441 HydrophobicContact CE2-CG2 3.64Å; Y394-I441 HydrophobicContact CG-CG2 3.65Å; Y394-I441 WeakPolarHBondContact OH-CD1 3.48Å; F419-I441 HydrophobicContact CB-CD1 4.46Å; F419-I441 HydrophobicContact CD2-CD1 4.49Å; I437-I441 HydrophobicContact CG2-CD1 3.7Å; I437-I441 HydrophobicContact CG2-CG1 4.44Å; I437-I441 WeakPolarHBondContact O-CG1 3.3Å; I437-I441 PolarHBondContact O-N 2.99Å; I441-A443 VanDerWaalsContact C-N 3.31Å; I441-A443 PolarHBondContact O-N 2.85Å; I441-H444 PolarHBondContact O-N 3.3Å
442C98.9Very high96.8Very high0 Ų04.8 Ų4.80%02%0.024CC..Hα-helixtrans-64.2-36.4177.3-74.90000112.9A337 D438 Q439 W440 H444 A445 F448 I460A337-C442 HydrophobicContact CB-CB 3.97Å; D438-C442 VanDerWaalsContact O-CB 3.25Å; D438-C442 WeakPolarHBondContact O-CB 3.37Å; D438-C442 PolarHBondContact O-N 3.32Å; D438-C442 PolarHBondContact O-SG 3.19Å; Q439-C442 PolarHBondContact O-N 3.05Å; W440-C442 PolarHBondContact O-N 3.04Å; C442-H444 PolarHBondContact O-N 2.81Å; C442-A445 PolarHBondContact O-N 2.82Å; C442-F448 HydrophobicContact CB-CD2 4.13Å; C442-F448 HydrophobicContact CB-CE2 3.96Å; C442-I460 HydrophobicContact CB-CD1 3.58Å; C442-I460 HydrophobicContact CB-CG1 4.13Å; C442-I460 HydrophobicContact CB-CG2 3.91Å
443A98.7Very high96.6Very high0 Ų07.5 Ų7.50%04%0.043CC..Hα-helixtrans-66.3-24.6-179.500000112.6Q439 W440 I441 I460 E463 R464 M467 F469Q439-A443 WeakPolarHBondContact O-CB 3.39Å; Q439-A443 PolarHBondContact O-N 3.3Å; W440-A443 PolarHBondContact O-N 3.34Å; I441-A443 VanDerWaalsContact C-N 3.31Å; I441-A443 PolarHBondContact O-N 2.85Å; A443-I460 HydrophobicContact CB-CG2 4.34Å; A443-E463 HydrophobicContact CB-CB 3.94Å; A443-E463 HydrophobicContact CB-CG 3.96Å; A443-R464 HydrophobicContact CB-CG 4.17Å; A443-R464 VanDerWaalsContact O-CG 3.28Å; A443-R464 WeakPolarHBondContact O-CG 3.28Å; A443-R464 PolarHBondContact O-NH1 3.03Å; A443-M467 HydrophobicContact CB-CE 3.52Å; A443-M467 VanDerWaalsContact O-CE 3.26Å; A443-M467 WeakPolarHBondContact O-CE 3.42Å; A443-F469 VanDerWaalsContact O-CE2 3.32Å; A443-F469 WeakPolarHBondContact O-CE2 3.41Å
444H98.8Very high96.5Very high0 Ų07.7 Ų7.70%05%0.045CC..THydrogen-bonded Turntrans-95.11.1-177.2-72.676.7000115.2R292 D300 T305 G332 G333 W440 I441 C442R292-H444 VanDerWaalsContact CZ-CD2 3.44Å; R292-H444 PolarHBondContact NH1-CD2 3.48Å; R292-H444 VanDerWaalsContact NH1-CD2 3.3Å; D300-H444 IonicContact OD1-CD2 2.94Å; D300-H444 IonicContact OD1-NE2 2.68Å; T305-H444 PolarHBondContact OG1-CD2 2.73Å; G332-H444 CarbonylContact C-O 3.6Å; G332-H444 WeakPolarHBondContact CA-O 3.22Å; G333-H444 PolarHBondContact N-O 2.88Å; W440-H444 AromaticContact CD2-CE1 3.59Å; W440-H444 AromaticContact CD2-ND1 3.97Å; W440-H444 AromaticContact CE2-CE1 3.28Å; W440-H444 AromaticContact CE2-ND1 3.91Å; W440-H444 AromaticContact CE3-CE1 3.81Å; W440-H444 AromaticContact CH2-CE1 3.52Å; W440-H444 AromaticContact CZ2-CE1 3.26Å; W440-H444 WeakPolarHBondContact CZ2-CE1 3.46Å; W440-H444 AromaticContact CZ2-NE2 3.7Å; W440-H444 AromaticContact CZ3-CE1 3.79Å; W440-H444 AromaticContact NE1-CE1 3.84Å; W440-H444 PolarHBondContact O-N 3.18Å; W440-H444 PolarHBondContact O-ND1 2.88Å; I441-H444 PolarHBondContact O-N 3.3Å; C442-H444 PolarHBondContact O-N 2.81Å
445A98.9Very high96.4Very high0 Ų09.7 Ų9.70%06%0.057CC..EExtended strand (participates in β ladder)trans-69.7155.2-178.900000113.2Y335 A337 C442 Y447 R464 F469Y335-A445 HydrophobicContact CD2-CB 3.78Å; Y335-A445 HydrophobicContact CE1-CB 4.46Å; Y335-A445 HydrophobicContact CE2-CB 3.4Å; Y335-A445 HydrophobicContact CG-CB 4.47Å; Y335-A445 VanDerWaalsContact CZ-CA 3.5Å; Y335-A445 PolarHBondContact OH-N 2.52Å; A337-A445 HydrophobicContact CB-CB 3.38Å; C442-A445 PolarHBondContact O-N 2.82Å; A445-Y447 VanDerWaalsContact C-N 3.33Å; A445-Y447 WeakPolarHBondContact CB-O 3.36Å; A445-Y447 PolarHBondContact O-N 2.74Å; A445-R464 PolarHBondContact O-NH1 3.34Å; A445-R464 PolarHBondContact O-NH2 2.85Å; A445-F469 WeakPolarHBondContact O-CE1 3.42Å
446R98.8Very high96.5Very high31 Ų319.8 Ų9.812%0.1175%0.054CC..EExtended strand (participates in β ladder)trans-56.4-50.4170.6-17961.252.978.65.6110.9L331 G332 G333 Y335 E386 I390 R464 T473L331-R446 WeakPolarHBondContact O-CD 3.38Å; L331-R446 PolarHBondContact O-NE 2.81Å; G332-R446 PolarHBondContact O-NE 3.14Å; G332-R446 VanDerWaalsContact O-NE 3.13Å; G332-R446 PolarHBondContact O-NH2 3.11Å; G332-R446 VanDerWaalsContact O-NH2 3.17Å; G333-R446 WeakPolarHBondContact O-CA 3.43Å; G333-R446 WeakPolarHBondContact O-CB 3.2Å; G333-R446 PolarHBondContact O-N 3.25Å; Y335-R446 PolarHBondContact O-N 2.8Å; E386-R446 VanDerWaalsContact OE1-CD 3.26Å; E386-R446 WeakPolarHBondContact OE1-CD 3.36Å; E386-R446 VanDerWaalsContact OE1-CG 3.23Å; E386-R446 WeakPolarHBondContact OE1-CG 3.44Å; E386-R446 IonicContact OE1-CZ 2.64Å; E386-R446 IonicContact OE1-NH1 2.74Å; E386-R446 PolarHBondContact OE1-NH1 3.47Å; E386-R446 IonicContact OE2-CZ 3.37Å; E386-R446 IonicContact OE2-NH1 3.21Å; E386-R446 PolarHBondContact OE2-NH1 3.19Å; I390-R446 HydrophobicContact CD1-CB 3.95Å; I390-R446 HydrophobicContact CD1-CG 3.74Å; R446-R464 PolarHBondContact O-NH2 3.06Å; R446-T473 WeakPolarHBondContact O-CB 3.18Å
447Y98.8Very high96.4Very high16 Ų169.8 Ų9.86%0.0635%0.054CC..EExtended strand (participates in β ladder)trans-125.6139.3175.6-60.5-84.1000109.6V336 A337 F382 E386 I390 A445 T473V336-Y447 CarbonylContact C-O 3.55Å; V336-Y447 WeakPolarHBondContact CA-O 3.49Å; V336-Y447 HydrophobicContact CG2-CD2 4.26Å; A337-Y447 PolarHBondContact N-O 3.4Å; F382-Y447 HydrophobicContact CB-CD1 4.29Å; F382-Y447 HydrophobicContact CB-CD2 3.8Å; F382-Y447 HydrophobicContact CB-CE1 4.16Å; F382-Y447 HydrophobicContact CB-CE2 3.63Å; F382-Y447 HydrophobicContact CB-CG 4.14Å; F382-Y447 AromaticContact CD1-CD1 3.71Å; F382-Y447 HydrophobicContact CD1-CD1 3.71Å; F382-Y447 AromaticContact CD1-CE1 3.84Å; F382-Y447 HydrophobicContact CD1-CE1 3.84Å; F382-Y447 HydrophobicContact CD1-CG 4.17Å; F382-Y447 AromaticContact CD2-CD1 3.95Å; F382-Y447 HydrophobicContact CD2-CD1 3.95Å; F382-Y447 AromaticContact CD2-CD2 3.86Å; F382-Y447 HydrophobicContact CD2-CD2 3.86Å; F382-Y447 AromaticContact CD2-CG 3.54Å; F382-Y447 HydrophobicContact CD2-CG 3.54Å; F382-Y447 AromaticContact CE1-CD1 3.94Å; F382-Y447 HydrophobicContact CE1-CD1 3.94Å; F382-Y447 HydrophobicContact CE1-CE1 4.4Å; F382-Y447 HydrophobicContact CE1-CG 4.48Å; F382-Y447 HydrophobicContact CE2-CD1 4.16Å; F382-Y447 AromaticContact CE2-CG 3.89Å; F382-Y447 HydrophobicContact CE2-CG 3.89Å; F382-Y447 AromaticContact CG-CD1 3.72Å; F382-Y447 HydrophobicContact CG-CD1 3.72Å; F382-Y447 AromaticContact CG-CD2 3.89Å; F382-Y447 HydrophobicContact CG-CD2 3.89Å; F382-Y447 AromaticContact CG-CE1 3.97Å; F382-Y447 HydrophobicContact CG-CE1 3.97Å; F382-Y447 HydrophobicContact CG-CE2 4.11Å; F382-Y447 AromaticContact CG-CG 3.7Å; F382-Y447 HydrophobicContact CG-CG 3.7Å; F382-Y447 HydrophobicContact CZ-CD1 4.16Å; F382-Y447 HydrophobicContact CZ-CG 4.36Å; E386-Y447 HydrophobicContact CG-CE2 3.91Å; E386-Y447 VanDerWaalsContact OE1-CE2 3.23Å; E386-Y447 WeakPolarHBondContact OE1-CE2 3.47Å; E386-Y447 PolarHBondContact OE1-OH 3.32Å; I390-Y447 HydrophobicContact CD1-CD2 4.31Å; I390-Y447 HydrophobicContact CD1-CE2 4.15Å; A445-Y447 VanDerWaalsContact C-N 3.33Å; A445-Y447 WeakPolarHBondContact CB-O 3.36Å; A445-Y447 PolarHBondContact O-N 2.74Å; Y447-T473 WeakPolarHBondContact CA-O 3.13Å; Y447-T473 HydrophobicContact CD1-CG2 4.13Å; Y447-T473 HydrophobicContact CE1-CG2 4.01Å
448F98.8Very high96.3Very high0 Ų013.3 Ų13.30%07%0.069CC..EExtended strand (participates in β ladder)trans-114136.1172.7177.3-117.9000110.7A337 H339 C442 T457 I460 I461 T473 N476A337-F448 HydrophobicContact CB-CD2 4.01Å; A337-F448 CarbonylContact O-C 3.46Å; A337-F448 WeakPolarHBondContact O-CA 3.41Å; H339-F448 HydrophobicContact CB-CE2 3.85Å; H339-F448 HydrophobicContact CB-CZ 3.92Å; C442-F448 HydrophobicContact CB-CD2 4.13Å; C442-F448 HydrophobicContact CB-CE2 3.96Å; F448-T457 HydrophobicContact CE1-CG2 4.18Å; F448-T457 HydrophobicContact CZ-CG2 4.49Å; F448-I460 HydrophobicContact CD1-CG2 3.87Å; F448-I460 HydrophobicContact CD2-CG2 3.98Å; F448-I460 HydrophobicContact CE1-CB 3.95Å; F448-I460 HydrophobicContact CE1-CG2 3.64Å; F448-I460 HydrophobicContact CE2-CB 4.37Å; F448-I460 HydrophobicContact CE2-CD1 3.76Å; F448-I460 HydrophobicContact CE2-CG2 3.78Å; F448-I460 HydrophobicContact CG-CG2 4.02Å; F448-I460 HydrophobicContact CZ-CB 3.8Å; F448-I460 HydrophobicContact CZ-CD1 3.59Å; F448-I460 HydrophobicContact CZ-CG1 4.29Å; F448-I460 HydrophobicContact CZ-CG2 3.6Å; F448-I461 HydrophobicContact CD1-CG1 4.27Å; F448-I461 HydrophobicContact CE1-CG1 3.99Å; F448-T473 PolarHBondContact N-O 3.19Å; F448-N476 WeakPolarHBondContact O-CB 3.5Å; F448-N476 PolarHBondContact O-ND2 3.24Å
449I98.6Very high96.2Very high0 Ų013.4 Ų13.40%07%0.069CC..EExtended strand (participates in β ladder)trans-121.7114.4171.8-55.6173.3000108.1V336 A337 V338 H339 A378 F382 N476 L478 I484V336-I449 HydrophobicContact CG1-CD1 3.97Å; V336-I449 HydrophobicContact CG1-CG1 4.23Å; A337-I449 PolarHBondContact O-N 3.23Å; V338-I449 CarbonylContact C-O 3.55Å; V338-I449 VanDerWaalsContact CA-O 3.32Å; V338-I449 WeakPolarHBondContact CA-O 3.27Å; V338-I449 HydrophobicContact CG1-CB 4.25Å; V338-I449 HydrophobicContact CG1-CG2 4.34Å; V338-I449 HydrophobicContact CG2-CB 4.26Å; V338-I449 HydrophobicContact CG2-CD1 4.16Å; H339-I449 PolarHBondContact N-O 3.39Å; A378-I449 HydrophobicContact CB-CD1 3.65Å; F382-I449 HydrophobicContact CE2-CD1 3.94Å; F382-I449 HydrophobicContact CE2-CG1 4.03Å; F382-I449 HydrophobicContact CZ-CG1 4.33Å; I449-N476 CarbonylContact C-O 3.59Å; I449-N476 WeakPolarHBondContact CA-O 3.35Å; I449-N476 HydrophobicContact CG1-CB 4.23Å; I449-L478 HydrophobicContact CG2-CD2 4.11Å; I449-L478 HydrophobicContact CG2-CG 3.86Å; I449-I484 HydrophobicContact CD1-CD1 3.86Å; I449-I484 HydrophobicContact CG1-CD1 4.3Å; I449-I484 HydrophobicContact CG2-CD1 3.6Å
450G97.4Very high96.2Very high0 Ų013.2 Ų13.20%07%0.068CC..EExtended strand (participates in β ladder)trans-90.2-178.4176.800000114.4H339 T457 N476 N477 L478H339-G450 CarbonylContact O-C 3.4Å; G450-T457 WeakPolarHBondContact CA-OG1 3.33Å; G450-N476 PolarHBondContact N-O 2.99Å; G450-N477 CarbonylContact O-C 3.57Å; G450-N477 VanDerWaalsContact O-CA 3.25Å; G450-N477 WeakPolarHBondContact O-CA 3.35Å; G450-L478 PolarHBondContact O-N 3.27Å
451T94.6Very high96.1Very high0 Ų013.1 Ų13.10%07%0.068CC..EExtended strand (participates in β ladder)trans-106.4130.5164.1-61.80000108.8H339 W340 R341 F345 S454 T457H339-T451 PolarHBondContact O-N 3.19Å; H339-T451 PolarHBondContact O-OG1 2.94Å; W340-T451 WeakPolarHBondContact CA-OG1 3.36Å; R341-T451 HydrophobicContact CB-CG2 3.95Å; R341-T451 PolarHBondContact N-OG1 3.17Å; F345-T451 HydrophobicContact CE1-CG2 3.88Å; T451-S454 WeakPolarHBondContact O-CB 3.48Å; T451-S454 PolarHBondContact O-N 2.79Å; T451-T457 PolarHBondContact N-OG1 2.84Å
452S87.2Confident96Very high7 Ų713.6 Ų13.65%0.0497%0.071CC..THydrogen-bonded Turntrans-53.2140.1-179.8-167.50000111.9S454 L478 Q500S452-S454 PolarHBondContact O-N 3.37Å; S452-L478 PolarHBondContact N-O 2.96Å; S452-Q500 PolarHBondContact OG-N 3.23Å; S452-Q500 PolarHBondContact OG-O 3.35Å
453S86.4Confident95.9Very high57 Ų5714.6 Ų14.640%0.3998%0.075SC..THydrogen-bonded Turntrans58.88.8-179.2-46.30000116.6
454S91.9Very high95.8Very high4 Ų414.6 Ų14.63%0.0288%0.075CC..  trans-83.7126.2176.5-176.70000111.9H339 T451 S452 F456 T457 F458H339-S454 PolarHBondContact CE1-OG 3.14Å; H339-S454 VanDerWaalsContact CE1-OG 3.32Å; T451-S454 WeakPolarHBondContact O-CB 3.48Å; T451-S454 PolarHBondContact O-N 2.79Å; S452-S454 PolarHBondContact O-N 3.37Å; S454-F456 PolarHBondContact O-N 2.96Å; S454-F456 PolarHBondContact OG-N 3.13Å; S454-T457 WeakPolarHBondContact O-CB 3.29Å; S454-T457 PolarHBondContact O-N 3.42Å; S454-T457 VanDerWaalsContact O-N 3.1Å; S454-F458 WeakPolarHBondContact O-CD1 3.29Å; S454-F458 WeakPolarHBondContact O-CG 3.48Å; S454-F458 PolarHBondContact O-N 3.2Å; S454-F458 VanDerWaalsContact O-N 3.12Å
455T92.5Very high95.7Very high43 Ų4316.1 Ų16.126%0.2649%0.086SC..Hα-helixtrans-64.2-25.1176.258.80000112.6L24 F458 R459L24-T455 HydrophobicContact CD1-CG2 4.37Å; L24-T455 HydrophobicContact CD2-CG2 3.66Å; L24-T455 HydrophobicContact CG-CG2 3.93Å; T455-F458 HydrophobicContact CG2-CD2 4.45Å; T455-F458 PolarHBondContact O-N 3.35Å; T455-R459 VanDerWaalsContact O-CG 3.31Å; T455-R459 WeakPolarHBondContact O-CG 3.4Å; T455-R459 PolarHBondContact O-N 3.26Å
456F95Very high95.5Very high21 Ų2117 Ų179%0.0929%0.09CC..Hα-helixtrans-68.3-43173.3-169.1-85.5000111.5N23 H339 A396 A435 D438 Q439 S454 F458 R459 I460N23-F456 WeakPolarHBondContact ND2-CA 3.43Å; N23-F456 WeakPolarHBondContact ND2-CB 3.32Å; N23-F456 PolarHBondContact ND2-N 2.67Å; H339-F456 AromaticContact CD2-CD1 3.37Å; H339-F456 WeakPolarHBondContact CD2-CD1 3.44Å; H339-F456 AromaticContact CD2-CE1 3.72Å; H339-F456 AromaticContact CE1-CD1 3.73Å; H339-F456 AromaticContact CG-CD1 3.66Å; H339-F456 AromaticContact ND1-CD1 3.88Å; H339-F456 AromaticContact NE2-CD1 3.44Å; H339-F456 WeakPolarHBondContact NE2-CD1 3.48Å; H339-F456 AromaticContact NE2-CG 3.82Å; A396-F456 HydrophobicContact CB-CE1 4.33Å; A435-F456 HydrophobicContact CB-CE2 3.95Å; A435-F456 VanDerWaalsContact O-CE2 3.27Å; A435-F456 WeakPolarHBondContact O-CE2 3.46Å; A435-F456 VanDerWaalsContact O-CZ 3.31Å; A435-F456 WeakPolarHBondContact O-CZ 3.23Å; D438-F456 HydrophobicContact CB-CE1 4.41Å; D438-F456 HydrophobicContact CB-CZ 3.73Å; Q439-F456 HydrophobicContact CG-CD1 4.4Å; Q439-F456 HydrophobicContact CG-CD2 4.33Å; Q439-F456 HydrophobicContact CG-CE1 3.89Å; Q439-F456 HydrophobicContact CG-CE2 3.78Å; Q439-F456 HydrophobicContact CG-CZ 3.54Å; S454-F456 PolarHBondContact O-N 2.96Å; S454-F456 PolarHBondContact OG-N 3.13Å; F456-F458 VanDerWaalsContact C-N 3.31Å; F456-F458 PolarHBondContact O-N 3Å; F456-R459 PolarHBondContact O-N 3.23Å; F456-I460 HydrophobicContact CD1-CD1 3.67Å; F456-I460 HydrophobicContact CD1-CG1 4.48Å; F456-I460 HydrophobicContact CE1-CD1 3.53Å; F456-I460 HydrophobicContact CE1-CG1 4.4Å; F456-I460 PolarHBondContact O-N 3.04Å
457T96.6Very high95.4Very high0 Ų015.5 Ų15.50%09%0.085CC..Hα-helixtrans-59.1-42.1172.6-82.40000111.7H339 F448 G450 T451 S454 R459 I460 I461 L502H339-T457 PolarHBondContact ND1-OG1 2.91Å; F448-T457 HydrophobicContact CE1-CG2 4.18Å; F448-T457 HydrophobicContact CZ-CG2 4.49Å; G450-T457 WeakPolarHBondContact CA-OG1 3.33Å; T451-T457 PolarHBondContact N-OG1 2.84Å; S454-T457 WeakPolarHBondContact O-CB 3.29Å; S454-T457 PolarHBondContact O-N 3.42Å; S454-T457 VanDerWaalsContact O-N 3.1Å; T457-R459 VanDerWaalsContact C-N 3.31Å; T457-R459 PolarHBondContact O-N 3.2Å; T457-I460 PolarHBondContact O-N 3.33Å; T457-I461 HydrophobicContact CG2-CD1 3.53Å; T457-I461 HydrophobicContact CG2-CG1 4.34Å; T457-I461 WeakPolarHBondContact O-CD1 3.44Å; T457-I461 WeakPolarHBondContact O-CG1 3.41Å; T457-I461 PolarHBondContact O-N 2.83Å; T457-L502 HydrophobicContact CG2-CD1 4.18Å; T457-L502 HydrophobicContact CG2-CD2 3.74Å
458F95.6Very high95.3Very high75 Ų7515.6 Ų15.633%0.3299%0.091SC..Hα-helixtrans-60.8-40.2179.3-58.7-21.1000112.4S454 T455 F456 I460 I461 E462 L502S454-F458 WeakPolarHBondContact O-CD1 3.29Å; S454-F458 WeakPolarHBondContact O-CG 3.48Å; S454-F458 PolarHBondContact O-N 3.2Å; S454-F458 VanDerWaalsContact O-N 3.12Å; T455-F458 HydrophobicContact CG2-CD2 4.45Å; T455-F458 PolarHBondContact O-N 3.35Å; F456-F458 VanDerWaalsContact C-N 3.31Å; F456-F458 PolarHBondContact O-N 3Å; F458-I460 VanDerWaalsContact C-N 3.35Å; F458-I460 PolarHBondContact O-N 2.89Å; F458-I461 PolarHBondContact O-N 3.35Å; F458-E462 VanDerWaalsContact O-CG 3.3Å; F458-E462 WeakPolarHBondContact O-CG 3.37Å; F458-E462 PolarHBondContact O-N 2.88Å; F458-L502 HydrophobicContact CD1-CD2 4.18Å; F458-L502 HydrophobicContact CE1-CD2 3.84Å
459R96.6Very high95.2Very high10 Ų1016.3 Ų16.34%0.0389%0.094CC..Hα-helixtrans-66.4-35.9178.8-61-65.998.7115.1-6.6112.4N23 D27 Y271 T455 F456 T457 E462 E463N23-R459 HydrophobicContact CB-CG 4.02Å; N23-R459 PolarHBondContact O-NH1 2.95Å; D27-R459 IonicContact OD1-CZ 3.45Å; D27-R459 IonicContact OD1-NH1 2.8Å; D27-R459 PolarHBondContact OD1-NH1 2.97Å; D27-R459 IonicContact OD1-NH2 2.89Å; D27-R459 PolarHBondContact OD1-NH2 2.77Å; Y271-R459 PolarHBondContact OH-NH2 3.06Å; T455-R459 VanDerWaalsContact O-CG 3.31Å; T455-R459 WeakPolarHBondContact O-CG 3.4Å; T455-R459 PolarHBondContact O-N 3.26Å; F456-R459 PolarHBondContact O-N 3.23Å; T457-R459 VanDerWaalsContact C-N 3.31Å; T457-R459 PolarHBondContact O-N 3.2Å; R459-E462 WeakPolarHBondContact CD-OE2 3.18Å; R459-E462 IonicContact CZ-OE1 3.79Å; R459-E462 IonicContact CZ-OE2 3.49Å; R459-E462 IonicContact NE-OE1 3.53Å; R459-E462 PolarHBondContact NE-OE1 3.31Å; R459-E462 IonicContact NE-OE2 3.49Å; R459-E462 PolarHBondContact NE-OE2 3.02Å; R459-E462 IonicContact NH2-OE1 3.62Å; R459-E462 PolarHBondContact NH2-OE1 2.74Å; R459-E462 IonicContact NH2-OE2 2.74Å; R459-E463 PolarHBondContact O-N 3.03Å; R459-E463 VanDerWaalsContact O-N 3.16Å
460I98.1Very high95Very high1 Ų120.6 Ų20.61%0.00512%0.116CC..Hα-helixtrans-66.6-45.6174-64.3166000110.8H339 Q439 C442 A443 F448 F456 T457 F458 E462 E463 R464H339-I460 HydrophobicContact CB-CD1 4.25Å; Q439-I460 HydrophobicContact CB-CG1 4.08Å; Q439-I460 HydrophobicContact CG-CD1 4.39Å; Q439-I460 HydrophobicContact CG-CG1 3.85Å; C442-I460 HydrophobicContact CB-CD1 3.58Å; C442-I460 HydrophobicContact CB-CG1 4.13Å; C442-I460 HydrophobicContact CB-CG2 3.91Å; A443-I460 HydrophobicContact CB-CG2 4.34Å; F448-I460 HydrophobicContact CD1-CG2 3.87Å; F448-I460 HydrophobicContact CD2-CG2 3.98Å; F448-I460 HydrophobicContact CE1-CB 3.95Å; F448-I460 HydrophobicContact CE1-CG2 3.64Å; F448-I460 HydrophobicContact CE2-CB 4.37Å; F448-I460 HydrophobicContact CE2-CD1 3.76Å; F448-I460 HydrophobicContact CE2-CG2 3.78Å; F448-I460 HydrophobicContact CG-CG2 4.02Å; F448-I460 HydrophobicContact CZ-CB 3.8Å; F448-I460 HydrophobicContact CZ-CD1 3.59Å; F448-I460 HydrophobicContact CZ-CG1 4.29Å; F448-I460 HydrophobicContact CZ-CG2 3.6Å; F456-I460 HydrophobicContact CD1-CD1 3.67Å; F456-I460 HydrophobicContact CD1-CG1 4.48Å; F456-I460 HydrophobicContact CE1-CD1 3.53Å; F456-I460 HydrophobicContact CE1-CG1 4.4Å; F456-I460 PolarHBondContact O-N 3.04Å; T457-I460 PolarHBondContact O-N 3.33Å; F458-I460 VanDerWaalsContact C-N 3.35Å; F458-I460 PolarHBondContact O-N 2.89Å; I460-E462 VanDerWaalsContact C-N 3.34Å; I460-E462 PolarHBondContact O-N 3.4Å; I460-E463 PolarHBondContact O-N 2.84Å; I460-R464 HydrophobicContact CG2-CG 4.44Å; I460-R464 WeakPolarHBondContact O-CG 3.43Å; I460-R464 PolarHBondContact O-N 3.37Å
461I97Very high94.9Very high10 Ų1022 Ų225%0.05113%0.126CC..Hα-helixtrans-60.2-46.4179.2-69.1161.3000110.5F448 T457 F458 E463 R464 S465 T474 L475 L502F448-I461 HydrophobicContact CD1-CG1 4.27Å; F448-I461 HydrophobicContact CE1-CG1 3.99Å; T457-I461 HydrophobicContact CG2-CD1 3.53Å; T457-I461 HydrophobicContact CG2-CG1 4.34Å; T457-I461 WeakPolarHBondContact O-CD1 3.44Å; T457-I461 WeakPolarHBondContact O-CG1 3.41Å; T457-I461 PolarHBondContact O-N 2.83Å; F458-I461 PolarHBondContact O-N 3.35Å; I461-E463 VanDerWaalsContact C-N 3.29Å; I461-E463 PolarHBondContact O-N 2.72Å; I461-R464 WeakPolarHBondContact O-CB 3.48Å; I461-R464 PolarHBondContact O-N 2.94Å; I461-S465 PolarHBondContact O-N 3.17Å; I461-S465 PolarHBondContact O-OG 3.43Å; I461-S465 VanDerWaalsContact O-OG 3.09Å; I461-T474 HydrophobicContact CB-CG2 4.31Å; I461-T474 HydrophobicContact CG1-CG2 4.19Å; I461-T474 HydrophobicContact CG2-CG2 3.99Å; I461-L475 HydrophobicContact CD1-CD2 4.35Å; I461-L475 HydrophobicContact CG1-CD2 4.45Å; I461-L475 HydrophobicContact CG2-CD2 3.63Å; I461-L502 HydrophobicContact CD1-CB 4.09Å; I461-L502 HydrophobicContact CD1-CD1 3.42Å; I461-L502 VanDerWaalsContact CD1-CD1 3.42Å; I461-L502 HydrophobicContact CD1-CD2 3.6Å; I461-L502 HydrophobicContact CD1-CG 3.87Å; I461-L502 HydrophobicContact CG1-CD1 4.43Å
462E96.3Very high94.9Very high11 Ų1125.7 Ų25.75%0.05115%0.146CC..Hα-helixtrans-59-41.7176.9-72.5165.9175.600112Y271 W272 R275 F458 R459 I460 S465 I466Y271-E462 PolarHBondContact OH-OE1 3.27Å; W272-E462 HydrophobicContact CH2-CG 4.28Å; W272-E462 HydrophobicContact CZ3-CB 4.48Å; R275-E462 WeakPolarHBondContact CD-OE2 3.12Å; R275-E462 IonicContact CZ-OE2 2.76Å; R275-E462 IonicContact NE-OE2 3.58Å; R275-E462 PolarHBondContact NE-OE2 3.47Å; R275-E462 IonicContact NH2-OE2 3.91Å; F458-E462 VanDerWaalsContact O-CG 3.3Å; F458-E462 WeakPolarHBondContact O-CG 3.37Å; F458-E462 PolarHBondContact O-N 2.88Å; R459-E462 WeakPolarHBondContact CD-OE2 3.18Å; R459-E462 IonicContact CZ-OE1 3.79Å; R459-E462 IonicContact CZ-OE2 3.49Å; R459-E462 IonicContact NE-OE1 3.53Å; R459-E462 PolarHBondContact NE-OE1 3.31Å; R459-E462 IonicContact NE-OE2 3.49Å; R459-E462 PolarHBondContact NE-OE2 3.02Å; R459-E462 IonicContact NH2-OE1 3.62Å; R459-E462 PolarHBondContact NH2-OE1 2.74Å; R459-E462 IonicContact NH2-OE2 2.74Å; I460-E462 VanDerWaalsContact C-N 3.34Å; I460-E462 PolarHBondContact O-N 3.4Å; E462-S465 PolarHBondContact O-N 3.4Å; E462-I466 VanDerWaalsContact O-CG1 3.26Å; E462-I466 WeakPolarHBondContact O-CG1 3.45Å; E462-I466 PolarHBondContact O-N 3Å
463E97.2Very high95.4Very high20 Ų2026.1 Ų26.19%0.09315%0.148CC..Hα-helixtrans-63.3-43.6177-156.662.9-147.400111R275 W440 A443 R459 I460 I461 S465 I466 M467R275-E463 IonicContact CZ-OE2 3.22Å; R275-E463 IonicContact NH1-OE2 3.8Å; R275-E463 PolarHBondContact NH1-OE2 2.64Å; R275-E463 IonicContact NH2-OE2 2.67Å; R275-E463 PolarHBondContact NH2-OE2 3.07Å; W440-E463 HydrophobicContact CZ3-CG 4.42Å; A443-E463 HydrophobicContact CB-CB 3.94Å; A443-E463 HydrophobicContact CB-CG 3.96Å; R459-E463 PolarHBondContact O-N 3.03Å; R459-E463 VanDerWaalsContact O-N 3.16Å; I460-E463 PolarHBondContact O-N 2.84Å; I461-E463 VanDerWaalsContact C-N 3.29Å; I461-E463 PolarHBondContact O-N 2.72Å; E463-S465 PolarHBondContact O-N 3.17Å; E463-I466 PolarHBondContact O-N 3.05Å; E463-M467 HydrophobicContact CG-CE 4.14Å; E463-M467 WeakPolarHBondContact O-CG 3.43Å; E463-M467 PolarHBondContact O-N 2.92Å
464R97.7Very high95.9Very high0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-61.3-41.9174.4-72.4-177.769.685.4-9.5112.5A443 A445 R446 I460 I461 M467 G468 F469 T473 T474A443-R464 HydrophobicContact CB-CG 4.17Å; A443-R464 VanDerWaalsContact O-CG 3.28Å; A443-R464 WeakPolarHBondContact O-CG 3.28Å; A443-R464 PolarHBondContact O-NH1 3.03Å; A445-R464 PolarHBondContact O-NH1 3.34Å; A445-R464 PolarHBondContact O-NH2 2.85Å; R446-R464 PolarHBondContact O-NH2 3.06Å; I460-R464 HydrophobicContact CG2-CG 4.44Å; I460-R464 WeakPolarHBondContact O-CG 3.43Å; I460-R464 PolarHBondContact O-N 3.37Å; I461-R464 WeakPolarHBondContact O-CB 3.48Å; I461-R464 PolarHBondContact O-N 2.94Å; R464-M467 HydrophobicContact CG-CE 4.47Å; R464-M467 PolarHBondContact O-N 3.27Å; R464-G468 PolarHBondContact O-N 3.37Å; R464-F469 HydrophobicContact CB-CB 4.04Å; R464-F469 HydrophobicContact CB-CD2 4.05Å; R464-F469 HydrophobicContact CB-CG 4.25Å; R464-F469 HydrophobicContact CG-CD2 4.14Å; R464-F469 HydrophobicContact CG-CG 4.43Å; R464-F469 VanDerWaalsContact CZ-CD1 3.46Å; R464-F469 PolarHBondContact O-N 3.47Å; R464-T473 PolarHBondContact NH2-O 3.1Å; R464-T473 PolarHBondContact NH2-OG1 3.02Å; R464-T474 HydrophobicContact CB-CG2 3.73Å; R464-T474 HydrophobicContact CG-CG2 4.42Å; R464-T474 PolarHBondContact NE-OG1 3.05Å
465S95.5Very high96.1Very high32 Ų3223.5 Ų23.522%0.22413%0.13CC..Hα-helixtrans-64.1-41.1175.8-63.10000111.9I461 E462 E463 M467 G468I461-S465 PolarHBondContact O-N 3.17Å; I461-S465 PolarHBondContact O-OG 3.43Å; I461-S465 VanDerWaalsContact O-OG 3.09Å; E462-S465 PolarHBondContact O-N 3.4Å; E463-S465 PolarHBondContact O-N 3.17Å; S465-M467 VanDerWaalsContact C-N 3.33Å; S465-M467 PolarHBondContact O-N 3.42Å; S465-G468 PolarHBondContact O-N 3.27Å; S465-G468 VanDerWaalsContact O-N 3.17Å
466I95.9Very high96.2Very high18 Ų1821.6 Ų21.69%0.09212%0.118CC..Hα-helixtrans-63.6-39.9175.6-71.5166000111.1W272 R275 R276 W325 E462 E463 G468W272-I466 HydrophobicContact CE3-CG1 4.34Å; W272-I466 HydrophobicContact CZ3-CD1 4.25Å; W272-I466 HydrophobicContact CZ3-CG1 3.94Å; R275-I466 HydrophobicContact CG-CD1 4.17Å; R276-I466 HydrophobicContact CG-CD1 4.01Å; R276-I466 HydrophobicContact CG-CG1 3.98Å; R276-I466 HydrophobicContact CG-CG2 4.49Å; W325-I466 PolarHBondContact NE1-O 3.12Å; E462-I466 VanDerWaalsContact O-CG1 3.26Å; E462-I466 WeakPolarHBondContact O-CG1 3.45Å; E462-I466 PolarHBondContact O-N 3Å; E463-I466 PolarHBondContact O-N 3.05Å; I466-G468 PolarHBondContact O-N 3.12Å
467M96.5Very high96.2Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-72.2-13.9176-71.6-169.7-73.300114.1T305 W325 A443 E463 R464 S465 F469T305-M467 HydrophobicContact CG2-SD 4.29Å; W325-M467 HydrophobicContact CD2-CB 4.19Å; W325-M467 HydrophobicContact CD2-CG 3.92Å; W325-M467 HydrophobicContact CE3-CB 4.36Å; W325-M467 HydrophobicContact CE3-CG 3.98Å; W325-M467 HydrophobicContact CE3-SD 4.49Å; W325-M467 HydrophobicContact CH2-CG 3.54Å; W325-M467 HydrophobicContact CH2-SD 3.71Å; W325-M467 HydrophobicContact CZ2-CG 3.48Å; W325-M467 VanDerWaalsContact CZ2-CG 3.48Å; W325-M467 HydrophobicContact CZ2-SD 4.25Å; W325-M467 HydrophobicContact CZ3-CG 3.75Å; W325-M467 HydrophobicContact CZ3-SD 3.82Å; A443-M467 HydrophobicContact CB-CE 3.52Å; A443-M467 VanDerWaalsContact O-CE 3.26Å; A443-M467 WeakPolarHBondContact O-CE 3.42Å; E463-M467 HydrophobicContact CG-CE 4.14Å; E463-M467 WeakPolarHBondContact O-CG 3.43Å; E463-M467 PolarHBondContact O-N 2.92Å; R464-M467 HydrophobicContact CG-CE 4.47Å; R464-M467 PolarHBondContact O-N 3.27Å; S465-M467 VanDerWaalsContact C-N 3.33Å; S465-M467 PolarHBondContact O-N 3.42Å; M467-F469 HydrophobicContact CB-CD2 3.81Å; M467-F469 HydrophobicContact CB-CE2 3.95Å; M467-F469 HydrophobicContact CE-CD2 4.16Å; M467-F469 HydrophobicContact CE-CE2 3.7Å; M467-F469 HydrophobicContact SD-CE2 4.12Å
468G95.3Very high96.2Very high19 Ų1920.6 Ų20.620%0.19611%0.113CC..THydrogen-bonded Turntrans83.826.2179.900000114.3P329 A330 R464 S465 I466P329-G468 VanDerWaalsContact CA-O 3.23Å; P329-G468 WeakPolarHBondContact CA-O 3.25Å; A330-G468 PolarHBondContact N-O 2.96Å; R464-G468 PolarHBondContact O-N 3.37Å; S465-G468 PolarHBondContact O-N 3.27Å; S465-G468 VanDerWaalsContact O-N 3.17Å; I466-G468 PolarHBondContact O-N 3.12Å
469F97.1Very high96Very high15 Ų1517.2 Ų17.27%0.06610%0.099CC..BIsolated β-bridgetrans-64.2148.7169.1-80-91.8000111.4T305 A330 A443 A445 R464 M467 T474T305-F469 HydrophobicContact CG2-CE2 3.76Å; T305-F469 HydrophobicContact CG2-CZ 3.7Å; A330-F469 HydrophobicContact CB-CD1 4.02Å; A330-F469 HydrophobicContact CB-CD2 3.54Å; A330-F469 HydrophobicContact CB-CE1 3.96Å; A330-F469 HydrophobicContact CB-CE2 3.43Å; A330-F469 VanDerWaalsContact CB-CE2 3.43Å; A330-F469 HydrophobicContact CB-CG 3.84Å; A330-F469 HydrophobicContact CB-CZ 3.67Å; A443-F469 VanDerWaalsContact O-CE2 3.32Å; A443-F469 WeakPolarHBondContact O-CE2 3.41Å; A445-F469 WeakPolarHBondContact O-CE1 3.42Å; R464-F469 HydrophobicContact CB-CB 4.04Å; R464-F469 HydrophobicContact CB-CD2 4.05Å; R464-F469 HydrophobicContact CB-CG 4.25Å; R464-F469 HydrophobicContact CG-CD2 4.14Å; R464-F469 HydrophobicContact CG-CG 4.43Å; R464-F469 VanDerWaalsContact CZ-CD1 3.46Å; R464-F469 PolarHBondContact O-N 3.47Å; M467-F469 HydrophobicContact CB-CD2 3.81Å; M467-F469 HydrophobicContact CB-CE2 3.95Å; M467-F469 HydrophobicContact CE-CD2 4.16Å; M467-F469 HydrophobicContact CE-CE2 3.7Å; M467-F469 HydrophobicContact SD-CE2 4.12Å; F469-T474 WeakPolarHBondContact CB-OG1 3.45Å
470L95.4Very high95.7Very high89 Ų8917.2 Ų17.247%0.46610%0.1SC..  trans-73.7147.8177.1-61.2176.9000111.6P329 N472 T473 T474P329-L470 HydrophobicContact CB-CD2 3.87Å; P329-L470 HydrophobicContact CB-CG 4Å; P329-L470 HydrophobicContact CG-CD2 4.48Å; L470-N472 VanDerWaalsContact C-N 3.32Å; L470-N472 WeakPolarHBondContact CB-OD1 3.26Å; L470-N472 PolarHBondContact O-N 3.31Å; L470-T473 HydrophobicContact CB-CG2 4.4Å; L470-T473 PolarHBondContact O-N 3.48Å; L470-T473 PolarHBondContact O-OG1 2.75Å; L470-T474 WeakPolarHBondContact O-CB 3.23Å; L470-T474 PolarHBondContact O-N 2.88Å; L470-T474 PolarHBondContact O-OG1 3.17Å
471S94.9Very high95Very high29 Ų2921.3 Ų21.320%0.20312%0.122CC..Hα-helixtrans-59.6-38.7-177.8-53.30000112.9T473 T474 L475 E504S471-T473 VanDerWaalsContact C-N 3.26Å; S471-T473 PolarHBondContact O-N 3.08Å; S471-T474 PolarHBondContact O-N 2.75Å; S471-L475 WeakPolarHBondContact O-CB 3.34Å; S471-L475 PolarHBondContact O-N 3.13Å; S471-E504 VanDerWaalsContact OG-CD 3.25Å; S471-E504 PolarHBondContact OG-OE1 3.13Å
472N94.1Very high94.3Very high79 Ų7922.9 Ų22.942%0.42214%0.14SC..Hα-helixtrans-65.7-25176.366.7-23.4000114L470 N476 Y487L470-N472 VanDerWaalsContact C-N 3.32Å; L470-N472 WeakPolarHBondContact CB-OD1 3.26Å; L470-N472 PolarHBondContact O-N 3.31Å; N472-N476 PolarHBondContact O-ND2 2.85Å; N472-Y487 HydrophobicContact CB-CD1 3.88Å
473T97Very high94Very high15 Ų1527.1 Ų27.19%0.09217%0.169CC..Hα-helixtrans-88.3-8.1174.671.70000113.3R446 Y447 F448 R464 L470 S471R446-T473 WeakPolarHBondContact O-CB 3.18Å; Y447-T473 WeakPolarHBondContact CA-O 3.13Å; Y447-T473 HydrophobicContact CD1-CG2 4.13Å; Y447-T473 HydrophobicContact CE1-CG2 4.01Å; F448-T473 PolarHBondContact N-O 3.19Å; R464-T473 PolarHBondContact NH2-O 3.1Å; R464-T473 PolarHBondContact NH2-OG1 3.02Å; L470-T473 HydrophobicContact CB-CG2 4.4Å; L470-T473 PolarHBondContact O-N 3.48Å; L470-T473 PolarHBondContact O-OG1 2.75Å; S471-T473 VanDerWaalsContact C-N 3.26Å; S471-T473 PolarHBondContact O-N 3.08Å
474T97.4Very high93.7Very high2 Ų227 Ų271%0.01217%0.169CC..Hα-helixtrans-121.9-40.8-165.3-61.90000113.1I461 R464 F469 L470 S471 N476I461-T474 HydrophobicContact CB-CG2 4.31Å; I461-T474 HydrophobicContact CG1-CG2 4.19Å; I461-T474 HydrophobicContact CG2-CG2 3.99Å; R464-T474 HydrophobicContact CB-CG2 3.73Å; R464-T474 HydrophobicContact CG-CG2 4.42Å; R464-T474 PolarHBondContact NE-OG1 3.05Å; F469-T474 WeakPolarHBondContact CB-OG1 3.45Å; L470-T474 WeakPolarHBondContact O-CB 3.23Å; L470-T474 PolarHBondContact O-N 2.88Å; L470-T474 PolarHBondContact O-OG1 3.17Å; S471-T474 PolarHBondContact O-N 2.75Å; T474-N476 VanDerWaalsContact C-N 3.31Å; T474-N476 PolarHBondContact O-N 3.2Å
475L95.8Very high93.5Very high5 Ų528.2 Ų28.23%0.02618%0.175CC..  trans-96.146.9-169.7-57.9179.9000112.3I461 S471 Y487 L502 E504I461-L475 HydrophobicContact CD1-CD2 4.35Å; I461-L475 HydrophobicContact CG1-CD2 4.45Å; I461-L475 HydrophobicContact CG2-CD2 3.63Å; S471-L475 WeakPolarHBondContact O-CB 3.34Å; S471-L475 PolarHBondContact O-N 3.13Å; L475-Y487 HydrophobicContact CB-CD2 3.76Å; L475-Y487 HydrophobicContact CB-CG 4.18Å; L475-Y487 HydrophobicContact CD1-CD2 3.75Å; L475-Y487 HydrophobicContact CD1-CE2 3.79Å; L475-Y487 HydrophobicContact CG-CD2 4.34Å; L475-Y487 WeakPolarHBondContact O-CB 3.39Å; L475-L502 HydrophobicContact CB-CB 4.28Å; L475-L502 HydrophobicContact CD2-CB 3.92Å; L475-E504 HydrophobicContact CD1-CB 3.57Å; L475-E504 HydrophobicContact CD1-CG 4Å
476N96.5Very high93.3Very high2 Ų228.1 Ų28.11%0.01117%0.171CC..EExtended strand (participates in β ladder)trans-106.3140.8174.9-48.4-65.9000109.2F382 F448 I449 G450 N472 T474 H485 L486 Y487 L502F382-N476 HydrophobicContact CZ-CB 4.3Å; F448-N476 WeakPolarHBondContact O-CB 3.5Å; F448-N476 PolarHBondContact O-ND2 3.24Å; I449-N476 CarbonylContact C-O 3.59Å; I449-N476 WeakPolarHBondContact CA-O 3.35Å; I449-N476 HydrophobicContact CG1-CB 4.23Å; G450-N476 PolarHBondContact N-O 2.99Å; N472-N476 PolarHBondContact O-ND2 2.85Å; T474-N476 VanDerWaalsContact C-N 3.31Å; T474-N476 PolarHBondContact O-N 3.2Å; N476-H485 CarbonylContact C-O 3.57Å; N476-H485 WeakPolarHBondContact CA-O 3.41Å; N476-L486 HydrophobicContact CB-CD2 3.92Å; N476-L486 WeakPolarHBondContact OD1-CA 3.26Å; N476-Y487 PolarHBondContact OD1-N 2.92Å; N476-L502 WeakPolarHBondContact O-CD1 3.44Å
477N94.9Very high93Very high0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-147.3140.4-178.360.8-75.7000114.6G450 I484 H485 C499 Q500 L502G450-N477 CarbonylContact O-C 3.57Å; G450-N477 VanDerWaalsContact O-CA 3.25Å; G450-N477 WeakPolarHBondContact O-CA 3.35Å; N477-I484 WeakPolarHBondContact O-CG1 3.26Å; N477-H485 PolarHBondContact N-O 3.48Å; N477-H485 PolarHBondContact O-N 2.82Å; N477-H485 PolarHBondContact OD1-ND1 2.72Å; N477-C499 PolarHBondContact ND2-SG 2.82Å; N477-Q500 PolarHBondContact ND2-O 3.11Å; N477-L502 HydrophobicContact CB-CD1 3.79Å; N477-L502 HydrophobicContact CB-CG 4.02Å
478L95.9Very high92.3Very high1 Ų134.4 Ų34.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-60.7139.4165.9-65.2176.4000110.4V338 W340 P366 Q374 I375 I449 G450 S452 I484V338-L478 HydrophobicContact CG1-CD1 3.9Å; V338-L478 HydrophobicContact CG1-CG 4.47Å; W340-L478 HydrophobicContact CB-CD1 4.09Å; W340-L478 HydrophobicContact CG-CD1 4.14Å; P366-L478 HydrophobicContact CG-CB 4.04Å; P366-L478 HydrophobicContact CG-CD1 4.37Å; Q374-L478 HydrophobicContact CB-CD2 3.72Å; Q374-L478 VanDerWaalsContact OE1-CA 3.25Å; I375-L478 HydrophobicContact CG1-CD2 4.22Å; I449-L478 HydrophobicContact CG2-CD2 4.11Å; I449-L478 HydrophobicContact CG2-CG 3.86Å; G450-L478 PolarHBondContact O-N 3.27Å; S452-L478 PolarHBondContact N-O 2.96Å; L478-I484 HydrophobicContact CD2-CD1 4.23Å
479C92.1Very high91.1Very high4 Ų437.2 Ų37.23%0.02721%0.213CC..  trans-110.7141.1179.8-64.20000110.9P366 Q374 N481 P483 C499P366-C479 WeakPolarHBondContact CB-O 3.42Å; P366-C479 WeakPolarHBondContact CD-O 3.43Å; Q374-C479 PolarHBondContact NE2-O 2.81Å; C479-N481 VanDerWaalsContact C-N 3.34Å; C479-N481 PolarHBondContact O-N 2.84Å; C479-P483 WeakPolarHBondContact CB-O 3.48Å; C479-P483 PolarHBondContact SG-O 2.95Å; C479-C499 WeakPolarHBondContact CA-SG 3.39Å; C479-C499 HydrophobicContact CB-CB 3.53Å; C479-C499 WeakPolarHBondContact CB-SG 3.23Å; C479-C499 WeakPolarHBondContact SG-CB 3.21Å; C479-C499 CovalentContact SG-SG 2.02Å; C479-C499 PolarHBondContact SG-SG 3.05Å
480P89.4Confident89.6Confident10 Ų1046.3 Ų46.37%0.06525%0.248CC..SBendtrans-61.3-42.9-178.719.9-30.4000113.1S363 T498S363-P480 WeakPolarHBondContact O-CB 3.22Å; P480-T498 WeakPolarHBondContact CG-O 3.5Å
481N84.1Confident87.8Confident87 Ų8747.7 Ų47.747%0.46525%0.252SS..SBendtrans-131.1137.2175.7-56-54.1000107C479C479-N481 VanDerWaalsContact C-N 3.34Å; C479-N481 PolarHBondContact O-N 2.84Å
482G81.8Confident85.9Confident42 Ų4256.5 Ų56.543%0.43328%0.283SS..SBendtrans97.6-171.4176.700000115.1Q374Q374-G482 PolarHBondContact NE2-O 2.88Å
483P89Confident84Confident101 Ų10157.8 Ų57.866%0.65628%0.282SS*.SBendtrans-72163.7179.932.1-35.2000111.4C479C479-P483 WeakPolarHBondContact CB-O 3.48Å; C479-P483 PolarHBondContact SG-O 2.95Å
484I92.5Very high81.8Confident16 Ų1664 Ų648%0.08232%0.321CS..  trans-61.4144.3173.6-170.9158.7000110.7Q374 A378 I449 N477 L478 L486Q374-I484 HydrophobicContact CB-CB 3.87Å; Q374-I484 HydrophobicContact CB-CD1 4.42Å; Q374-I484 HydrophobicContact CG-CB 3.99Å; A378-I484 HydrophobicContact CB-CD1 3.64Å; A378-I484 HydrophobicContact CB-CG2 4.4Å; I449-I484 HydrophobicContact CD1-CD1 3.86Å; I449-I484 HydrophobicContact CG1-CD1 4.3Å; I449-I484 HydrophobicContact CG2-CD1 3.6Å; N477-I484 WeakPolarHBondContact O-CG1 3.26Å; L478-I484 HydrophobicContact CD2-CD1 4.23Å; I484-L486 HydrophobicContact CD1-CD2 4.07Å; I484-L486 HydrophobicContact CG1-CD2 3.99Å; I484-L486 HydrophobicContact CG2-CD2 4.13Å; I484-L486 HydrophobicContact CG2-CG 4.13Å
485H91.9Very high79.6Confident27 Ų2769.5 Ų69.513%0.12535%0.349CS..BIsolated β-bridgetrans-91.5115169.8-177.7-76.2000109.2N476 N477 Y493 S501N476-H485 CarbonylContact C-O 3.57Å; N476-H485 WeakPolarHBondContact CA-O 3.41Å; N477-H485 PolarHBondContact N-O 3.48Å; N477-H485 PolarHBondContact O-N 2.82Å; N477-H485 PolarHBondContact OD1-ND1 2.72Å; H485-Y493 AromaticContact NE2-CD2 3.48Å; H485-Y493 WeakPolarHBondContact NE2-CD2 3.37Å; H485-Y493 AromaticContact NE2-CE2 3.48Å; H485-Y493 WeakPolarHBondContact NE2-CE2 3.2Å; H485-S501 WeakPolarHBondContact NE2-CB 3.36Å
486L92.5Very high77.5Confident29 Ų2974.8 Ų74.815%0.15239%0.387CS..  trans-104.1140.2172.5-57.7-176.5000109.2A378 I381 F382 N476 I484 Q488A378-L486 HydrophobicContact CB-CD2 3.95Å; I381-L486 HydrophobicContact CB-CD1 4.22Å; I381-L486 HydrophobicContact CD1-CD1 3.61Å; I381-L486 HydrophobicContact CG2-CD1 4.02Å; F382-L486 HydrophobicContact CE1-CD1 4.41Å; F382-L486 HydrophobicContact CE1-CD2 4Å; F382-L486 HydrophobicContact CZ-CD2 3.84Å; N476-L486 HydrophobicContact CB-CD2 3.92Å; N476-L486 WeakPolarHBondContact OD1-CA 3.26Å; I484-L486 HydrophobicContact CD1-CD2 4.07Å; I484-L486 HydrophobicContact CG1-CD2 3.99Å; I484-L486 HydrophobicContact CG2-CD2 4.13Å; I484-L486 HydrophobicContact CG2-CG 4.13Å; L486-Q488 PolarHBondContact O-N 3.05Å
487Y89.9Confident75.6Confident58 Ų5877.7 Ų77.723%0.22741%0.408CS..  trans-63.1131179.1176.5-90.2000111.1N472 L475 N476 P489 E504N472-Y487 HydrophobicContact CB-CD1 3.88Å; L475-Y487 HydrophobicContact CB-CD2 3.76Å; L475-Y487 HydrophobicContact CB-CG 4.18Å; L475-Y487 HydrophobicContact CD1-CD2 3.75Å; L475-Y487 HydrophobicContact CD1-CE2 3.79Å; L475-Y487 HydrophobicContact CG-CD2 4.34Å; L475-Y487 WeakPolarHBondContact O-CB 3.39Å; N476-Y487 PolarHBondContact OD1-N 2.92Å; Y487-P489 HydrophobicContact CE1-CB 4.22Å; Y487-E504 PolarHBondContact OH-OE2 3.34Å
488Q80.5Confident74.2Confident92 Ų9282.3 Ų82.343%0.4344%0.436SS..  trans-122.4125.6171.8-66.8-171.6-19.900109.1L486 H491 Y493L486-Q488 PolarHBondContact O-N 3.05Å; Q488-H491 HydrophobicContact CB-CB 3.95Å; Q488-H491 PolarHBondContact O-N 3Å; Q488-Y493 PolarHBondContact OE1-OH 3.3Å; Q488-Y493 VanDerWaalsContact OE1-OH 3.05Å
489P71.4Confident73.3Confident78 Ų7882.6 Ų82.651%0.50644%0.438SS..THydrogen-bonded Turntrans-63.2142.617925.8-32.3000110.7Y487 H491Y487-P489 HydrophobicContact CE1-CB 4.22Å; P489-H491 PolarHBondContact O-N 3.44Å
490Y63.8Low72.6Confident207 Ų20788.1 Ų88.181%0.81246%0.463SS*.THydrogen-bonded Turntrans616.8178.5-47.2-75.2000116.4
491H59.5Low72Confident117 Ų11790.1 Ų90.154%0.54248%0.478SS..  trans-94.698.9173.4-112.270.6000110.3Q488 P489 Y493Q488-H491 HydrophobicContact CB-CB 3.95Å; Q488-H491 PolarHBondContact O-N 3Å; P489-H491 PolarHBondContact O-N 3.44Å; H491-Y493 HydrophobicContact CB-CE2 4.39Å; H491-Y493 PolarHBondContact O-N 2.96Å
492Y54.7Low72.1Confident215 Ų21586.6 Ų86.684%0.84346%0.459SS*.  trans-82.899.7163.5-67.6-82000107.7T494Y492-T494 PolarHBondContact O-N 3.33Å
493Y53.3Low72.2Confident106 Ų10687.4 Ų87.442%0.41646%0.455SS..  trans-61.7113.9174.4-75.6-81.4000109.3H485 Q488 H491H485-Y493 AromaticContact NE2-CD2 3.48Å; H485-Y493 WeakPolarHBondContact NE2-CD2 3.37Å; H485-Y493 AromaticContact NE2-CE2 3.48Å; H485-Y493 WeakPolarHBondContact NE2-CE2 3.2Å; Q488-Y493 PolarHBondContact OE1-OH 3.3Å; Q488-Y493 VanDerWaalsContact OE1-OH 3.05Å; H491-Y493 HydrophobicContact CB-CE2 4.39Å; H491-Y493 PolarHBondContact O-N 2.96Å
494T50Low72Confident146 Ų14686.8 Ų86.890%0.89644%0.444SS*.  trans-80.4-3.3167.6510000111.8Y492Y492-T494 PolarHBondContact O-N 3.33Å
495D51.4Low71.7Confident116 Ų11689.1 Ų89.162%0.6245%0.451SS*.  trans-77.6134.3-166.7-132.2-13.5000111.1S497D495-S497 PolarHBondContact O-N 3.08Å
496S51.9Low71.5Confident116 Ų11690.9 Ų90.981%0.81147%0.465SS*.  trans-64.322.8174.265.20000113.7T498S496-T498 PolarHBondContact O-N 3.04Å
497S57.5Low71.6Confident64 Ų6490.7 Ų90.745%0.44847%0.465SS..  trans-56.5137.4-178.183.20000109D495 C499D495-S497 PolarHBondContact O-N 3.08Å; S497-C499 PolarHBondContact O-N 2.87Å; S497-C499 PolarHBondContact OG-O 3.18Å; S497-C499 VanDerWaalsContact OG-O 3.07Å
498T64.2Low71.9Confident97 Ų9790.9 Ų90.960%0.59547%0.47SS*.SBendtrans-65.35.117752.60000113.1P480 S496P480-T498 WeakPolarHBondContact CG-O 3.5Å; S496-T498 PolarHBondContact O-N 3.04Å
499C78Confident72.6Confident7 Ų790 Ų905%0.04746%0.463CS..SBendtrans-117.9101.7-177.2-166.80000109.4N477 C479 S497 S501N477-C499 PolarHBondContact ND2-SG 2.82Å; C479-C499 WeakPolarHBondContact CA-SG 3.39Å; C479-C499 HydrophobicContact CB-CB 3.53Å; C479-C499 WeakPolarHBondContact CB-SG 3.23Å; C479-C499 WeakPolarHBondContact SG-CB 3.21Å; C479-C499 CovalentContact SG-SG 2.02Å; C479-C499 PolarHBondContact SG-SG 3.05Å; S497-C499 PolarHBondContact O-N 2.87Å; S497-C499 PolarHBondContact OG-O 3.18Å; S497-C499 VanDerWaalsContact OG-O 3.07Å; C499-S501 PolarHBondContact O-N 3.37Å
500Q76.6Confident73.7Confident119 Ų11986.9 Ų86.956%0.55644%0.441SS*.PPolyproline II helixtrans-68.1128.9175.7-169.4179.9200109.1S452 N477S452-Q500 PolarHBondContact OG-N 3.23Å; S452-Q500 PolarHBondContact OG-O 3.35Å; N477-Q500 PolarHBondContact ND2-O 3.11Å
501S78Confident75.3Confident53 Ų5386.2 Ų86.237%0.37144%0.443SS..PPolyproline II helixtrans-65.6149.5171.659.60000110.5H485 C499H485-S501 WeakPolarHBondContact NE2-CB 3.36Å; C499-S501 PolarHBondContact O-N 3.37Å
502L85.1Confident76.9Confident13 Ų1386.7 Ų86.77%0.06845%0.445CS..PPolyproline II helixtrans-72.8129.5171.3-63.7167.4000109.1T457 F458 I461 L475 N476 N477T457-L502 HydrophobicContact CG2-CD1 4.18Å; T457-L502 HydrophobicContact CG2-CD2 3.74Å; F458-L502 HydrophobicContact CD1-CD2 4.18Å; F458-L502 HydrophobicContact CE1-CD2 3.84Å; I461-L502 HydrophobicContact CD1-CB 4.09Å; I461-L502 HydrophobicContact CD1-CD1 3.42Å; I461-L502 VanDerWaalsContact CD1-CD1 3.42Å; I461-L502 HydrophobicContact CD1-CD2 3.6Å; I461-L502 HydrophobicContact CD1-CG 3.87Å; I461-L502 HydrophobicContact CG1-CD1 4.43Å; L475-L502 HydrophobicContact CB-CB 4.28Å; L475-L502 HydrophobicContact CD2-CB 3.92Å; N476-L502 WeakPolarHBondContact O-CD1 3.44Å; N477-L502 HydrophobicContact CB-CD1 3.79Å; N477-L502 HydrophobicContact CB-CG 4.02Å
503T84.1Confident78.9Confident58 Ų5877.9 Ų77.936%0.35641%0.411SS..PPolyproline II helixtrans-77.4134.6-179.5-50.40000110.9W267 W505W267-T503 HydrophobicContact CZ2-CG2 4.34Å; T503-W505 HydrophobicContact CG2-CD2 3.89Å; T503-W505 VanDerWaalsContact CG2-CE2 3.42Å; T503-W505 HydrophobicContact CG2-CE3 4.34Å; T503-W505 HydrophobicContact CG2-CH2 3.96Å; T503-W505 HydrophobicContact CG2-CZ2 3.4Å; T503-W505 VanDerWaalsContact CG2-CZ2 3.4Å; T503-W505 HydrophobicContact CG2-CZ3 4.44Å; T503-W505 VanDerWaalsContact O-CD1 3.32Å; T503-W505 PolarHBondContact O-N 3.13Å
504E84.9Confident80.9Confident88 Ų8874.1 Ų74.141%0.41140%0.399SS..  trans-81105.5173.2-174.7170.2-171.100109.8S471 L475 Y487S471-E504 VanDerWaalsContact OG-CD 3.25Å; S471-E504 PolarHBondContact OG-OE1 3.13Å; L475-E504 HydrophobicContact CD1-CB 3.57Å; L475-E504 HydrophobicContact CD1-CG 4Å; Y487-E504 PolarHBondContact OH-OE2 3.34Å
505W86.1Confident83Confident65 Ų6569.7 Ų69.725%0.24637%0.369CS..  trans-101110176.2-56110.8000109.2E266 W267 W272 T503E266-W505 HydrophobicContact CB-CB 4.4Å; E266-W505 HydrophobicContact CB-CD2 3.52Å; E266-W505 HydrophobicContact CB-CE3 3.36Å; E266-W505 HydrophobicContact CB-CG 3.95Å; E266-W505 HydrophobicContact CB-CH2 4.26Å; E266-W505 HydrophobicContact CB-CZ2 4.44Å; E266-W505 HydrophobicContact CB-CZ3 3.64Å; E266-W505 HydrophobicContact CG-CD2 4.31Å; E266-W505 HydrophobicContact CG-CE3 4.49Å; W267-W505 AromaticContact CD1-CZ3 3.44Å; W267-W505 VanDerWaalsContact CD1-CZ3 3.44Å; W267-W505 AromaticContact CD2-CE3 3.64Å; W267-W505 HydrophobicContact CD2-CE3 3.64Å; W267-W505 AromaticContact CD2-CZ3 3.4Å; W267-W505 HydrophobicContact CD2-CZ3 3.4Å; W267-W505 AromaticContact CE2-CE3 3.54Å; W267-W505 AromaticContact CE2-CH2 3.76Å; W267-W505 AromaticContact CE2-CZ3 2.97Å; W267-W505 AromaticContact CE3-CE3 3.94Å; W267-W505 HydrophobicContact CE3-CE3 3.94Å; W267-W505 HydrophobicContact CE3-CZ3 4.17Å; W267-W505 HydrophobicContact CG-CE3 4.16Å; W267-W505 AromaticContact CG-CZ3 3.65Å; W267-W505 HydrophobicContact CG-CZ3 3.65Å; W267-W505 AromaticContact CH2-CE3 3.94Å; W267-W505 HydrophobicContact CH2-CE3 3.94Å; W267-W505 HydrophobicContact CH2-CZ3 4.11Å; W267-W505 AromaticContact CZ2-CE3 3.67Å; W267-W505 HydrophobicContact CZ2-CE3 3.67Å; W267-W505 AromaticContact CZ2-CH2 3.94Å; W267-W505 HydrophobicContact CZ2-CH2 3.94Å; W267-W505 AromaticContact CZ2-CZ3 3.36Å; W267-W505 HydrophobicContact CZ2-CZ3 3.36Å; W267-W505 HydrophobicContact CZ3-CE3 4.09Å; W267-W505 HydrophobicContact CZ3-CZ3 4.48Å; W267-W505 AromaticContact NE1-CH2 3.58Å; W267-W505 AromaticContact NE1-CZ3 3.05Å; W272-W505 HydrophobicContact CZ2-CB 3.67Å; W272-W505 WeakPolarHBondContact CZ2-O 3.29Å; T503-W505 HydrophobicContact CG2-CD2 3.89Å; T503-W505 VanDerWaalsContact CG2-CE2 3.42Å; T503-W505 HydrophobicContact CG2-CE3 4.34Å; T503-W505 HydrophobicContact CG2-CH2 3.96Å; T503-W505 HydrophobicContact CG2-CZ2 3.4Å; T503-W505 VanDerWaalsContact CG2-CZ2 3.4Å; T503-W505 HydrophobicContact CG2-CZ3 4.44Å; T503-W505 VanDerWaalsContact O-CD1 3.32Å; T503-W505 PolarHBondContact O-N 3.13Å
506P88.8Confident84.5Confident65 Ų6568.3 Ų68.342%0.42237%0.369SS..  trans-69.8135178.228.7-33.2000109.7W267 W272 I508W267-P506 HydrophobicContact CE3-CG 4.41Å; W267-P506 HydrophobicContact CZ3-CG 4.16Å; W272-P506 PolarHBondContact NE1-O 3.38Å; P506-I508 HydrophobicContact CG-CG1 4.5Å; P506-I508 WeakPolarHBondContact O-CG1 3.36Å; P506-I508 PolarHBondContact O-N 3.34Å; P506-I508 VanDerWaalsContact O-N 3.11Å
507V94.1Very high85.2Confident25 Ų2566.9 Ų66.915%0.15236%0.359CS..  trans-67.7111.1172.4-175.60000109W272 Y509W272-V507 HydrophobicContact CB-CG1 4.3Å; W272-V507 HydrophobicContact CD2-CB 4.22Å; W272-V507 HydrophobicContact CD2-CG1 4.05Å; W272-V507 HydrophobicContact CD2-CG2 4.18Å; W272-V507 HydrophobicContact CE3-CB 4.29Å; W272-V507 HydrophobicContact CE3-CG1 3.98Å; W272-V507 HydrophobicContact CE3-CG2 3.88Å; W272-V507 HydrophobicContact CG-CG1 4.2Å; W272-V507 HydrophobicContact CH2-CG2 3.89Å; W272-V507 HydrophobicContact CZ2-CG2 4.18Å; W272-V507 HydrophobicContact CZ3-CG2 3.75Å; V507-Y509 HydrophobicContact CB-CE2 4.15Å; V507-Y509 HydrophobicContact CG1-CD2 4.47Å; V507-Y509 HydrophobicContact CG1-CE1 3.97Å; V507-Y509 HydrophobicContact CG1-CE2 3.85Å; V507-Y509 WeakPolarHBondContact O-CE2 3.26Å
508I95.7Very high85.1Confident61 Ų6168.4 Ų68.431%0.31337%0.369SS..PPolyproline II helixtrans-97.4118.2178.9-48.5-176.6000109.1W267 Q269 W272 P506W267-I508 WeakPolarHBondContact O-CD1 3.4Å; Q269-I508 WeakPolarHBondContact CA-O 3.49Å; Q269-I508 HydrophobicContact CB-CB 4.2Å; Q269-I508 HydrophobicContact CB-CG2 3.74Å; W272-I508 WeakPolarHBondContact CB-O 3.41Å; P506-I508 HydrophobicContact CG-CG1 4.5Å; P506-I508 WeakPolarHBondContact O-CG1 3.36Å; P506-I508 PolarHBondContact O-N 3.34Å; P506-I508 VanDerWaalsContact O-N 3.11Å
509Y95.1Very high83.9Confident74 Ų7469.2 Ų69.229%0.2938%0.379SS..PPolyproline II helixtrans-87.1118.4-175.6-67.1-84.5000111.4R276 S323 V507 T514R276-Y509 VanDerWaalsContact CZ-CD1 3.43Å; R276-Y509 VanDerWaalsContact NH1-CD1 3.34Å; S323-Y509 WeakPolarHBondContact O-CE1 3.49Å; S323-Y509 PolarHBondContact O-OH 3.15Å; V507-Y509 HydrophobicContact CB-CE2 4.15Å; V507-Y509 HydrophobicContact CG1-CD2 4.47Å; V507-Y509 HydrophobicContact CG1-CE1 3.97Å; V507-Y509 HydrophobicContact CG1-CE2 3.85Å; V507-Y509 WeakPolarHBondContact O-CE2 3.26Å; Y509-T514 HydrophobicContact CD1-CG2 3.99Å; Y509-T514 HydrophobicContact CG-CG2 4.35Å
510E96.1Very high81.8Confident12 Ų1273.3 Ų73.36%0.05641%0.407CS..PPolyproline II helixtrans-77.1124.2168.5-170.1174.5168.300110.2R37 Q269 T273 Q512 Y513 T514R37-E510 IonicContact CZ-OE1 3.48Å; R37-E510 IonicContact CZ-OE2 3.33Å; R37-E510 IonicContact NH1-OE1 3.87Å; R37-E510 IonicContact NH1-OE2 3.61Å; R37-E510 PolarHBondContact NH1-OE2 3.03Å; R37-E510 VanDerWaalsContact NH2-CD 3.27Å; R37-E510 IonicContact NH2-OE1 3.34Å; R37-E510 PolarHBondContact NH2-OE1 3.28Å; R37-E510 IonicContact NH2-OE2 3.99Å; R37-E510 PolarHBondContact NH2-OE2 2.86Å; Q269-E510 HydrophobicContact CB-CB 3.96Å; Q269-E510 HydrophobicContact CG-CB 4.03Å; Q269-E510 HydrophobicContact CG-CG 4.15Å; T273-E510 WeakPolarHBondContact OG1-CB 3.22Å; T273-E510 PolarHBondContact OG1-OE2 3.24Å; E510-Q512 HydrophobicContact CG-CB 4.43Å; E510-Q512 PolarHBondContact O-N 2.75Å; E510-Q512 VanDerWaalsContact O-N 3.17Å; E510-Y513 HydrophobicContact CB-CD2 4.41Å; E510-Y513 HydrophobicContact CG-CD2 4.21Å; E510-Y513 CarbonylContact O-C 3.45Å; E510-Y513 PolarHBondContact O-N 2.68Å; E510-T514 VanDerWaalsContact O-CB 3.25Å; E510-T514 WeakPolarHBondContact O-CB 3.5Å; E510-T514 PolarHBondContact O-N 3.03Å; E510-T514 PolarHBondContact O-OG1 3.06Å
511K95.5Very high79.7Confident194 Ų19473.8 Ų73.884%0.84342%0.421SS*.G310 helixtrans-56.1-35.9-175.8-175179.8177.9-177.10113.2Y513 T514K511-Y513 VanDerWaalsContact C-N 3.28Å; K511-Y513 PolarHBondContact O-N 2.94Å; K511-T514 PolarHBondContact O-N 3.04Å
512Q94.4Very high77.5Confident127 Ų12779 Ų7959%0.59344%0.441SS*.G310 helixtrans-65.5-31.1-179.5-179.8172.9-5.700112.7E510E510-Q512 HydrophobicContact CG-CB 4.43Å; E510-Q512 PolarHBondContact O-N 2.75Å; E510-Q512 VanDerWaalsContact O-N 3.17Å
513Y96.4Very high74.9Confident29 Ų2983.5 Ų83.511%0.11447%0.47CS..G310 helixtrans-111.826.3-178.2-59.6-86000111.8F111 T273 W320 L321 E510 K511F111-Y513 HydrophobicContact CD2-CD1 4.22Å; F111-Y513 AromaticContact CD2-CE1 3.71Å; F111-Y513 HydrophobicContact CD2-CE1 3.71Å; F111-Y513 HydrophobicContact CD2-CE2 4.32Å; F111-Y513 AromaticContact CD2-CZ 3.76Å; F111-Y513 HydrophobicContact CE2-CE1 4.39Å; F111-Y513 HydrophobicContact CE2-CE2 4.26Å; F111-Y513 AromaticContact CE2-CZ 3.97Å; T273-Y513 HydrophobicContact CG2-CD1 4.09Å; T273-Y513 HydrophobicContact CG2-CD2 3.45Å; T273-Y513 VanDerWaalsContact CG2-CD2 3.45Å; T273-Y513 HydrophobicContact CG2-CE2 4.06Å; T273-Y513 HydrophobicContact CG2-CG 3.46Å; T273-Y513 VanDerWaalsContact CG2-CG 3.46Å; W320-Y513 HydrophobicContact CH2-CD1 4.13Å; W320-Y513 HydrophobicContact CH2-CG 4.45Å; L321-Y513 HydrophobicContact CD2-CD1 4.4Å; L321-Y513 WeakPolarHBondContact CD2-O 3.34Å; E510-Y513 HydrophobicContact CB-CD2 4.41Å; E510-Y513 HydrophobicContact CG-CD2 4.21Å; E510-Y513 CarbonylContact O-C 3.45Å; E510-Y513 PolarHBondContact O-N 2.68Å; K511-Y513 VanDerWaalsContact C-N 3.28Å; K511-Y513 PolarHBondContact O-N 2.94Å
514T95.8Very high72.2Confident28 Ų2887.9 Ų87.917%0.17249%0.491CS..  trans-135.5111-178.1-57.10000110.9R276 L321 S323 Y509 E510 K511R276-T514 PolarHBondContact NH1-OG1 2.93Å; L321-T514 CarbonylContact O-C 3.35Å; L321-T514 VanDerWaalsContact O-CA 3.28Å; L321-T514 WeakPolarHBondContact O-CA 3.36Å; S323-T514 VanDerWaalsContact CB-CG2 3.44Å; Y509-T514 HydrophobicContact CD1-CG2 3.99Å; Y509-T514 HydrophobicContact CG-CG2 4.35Å; E510-T514 VanDerWaalsContact O-CB 3.25Å; E510-T514 WeakPolarHBondContact O-CB 3.5Å; E510-T514 PolarHBondContact O-N 3.03Å; E510-T514 PolarHBondContact O-OG1 3.06Å; K511-T514 PolarHBondContact O-N 3.04Å
515I93.5Very high69.7Low53 Ų5389.9 Ų89.927%0.27251%0.505SS..BIsolated β-bridgetrans-100.6119.8176.6-62.4172.8000107.8V311 L314 L321 R322 S323V311-I515 HydrophobicContact CB-CD1 4.37Å; V311-I515 HydrophobicContact CG1-CD1 3.76Å; V311-I515 HydrophobicContact CG2-CD1 3.83Å; L314-I515 HydrophobicContact CD1-CD1 3.98Å; L321-I515 HydrophobicContact CB-CD1 4.49Å; L321-I515 PolarHBondContact O-N 3.48Å; R322-I515 WeakPolarHBondContact CA-O 3.46Å; S323-I515 PolarHBondContact N-O 3.32Å
516S82.4Confident67.1Low87 Ų8796.1 Ų96.161%0.60853%0.533SS*.  trans-60.8140.2174.451.50000110.2S518S516-S518 PolarHBondContact O-N 2.98Å
517S67.8Low64.3Low86 Ų86100.2 Ų100.260%0.60155%0.551SS**  trans-62.5107162.150.80000106.8S519S517-S519 PolarHBondContact O-N 3.45Å
518S54.6Low61.3Low95 Ų95105.3 Ų105.366%0.66457%0.573SS**  trans-48.3130.2169.349.50000108.2S516 S520S516-S518 PolarHBondContact O-N 2.98Å; S518-S520 PolarHBondContact O-N 3.07Å
519S39.4Very low58.1Low114 Ų114109.8 Ų109.880%0.79760%0.596SS**  trans-38.893.7177.251.40000112.7S517S517-S519 PolarHBondContact O-N 3.45Å
520S34.3Very low55.1Low93 Ų93113.3 Ų113.365%0.6562%0.62SS**  trans-62.9133147.4-66.60000105.8S518 M522S518-S520 PolarHBondContact O-N 3.07Å; S520-M522 PolarHBondContact O-N 3Å
521P32.2Very low52Low129 Ų129120.5 Ų120.584%0.83865%0.651SS**  trans-72.673174.931-32.1000108.3T523P521-T523 VanDerWaalsContact C-N 3.32Å; P521-T523 PolarHBondContact O-N 2.78Å; P521-T523 VanDerWaalsContact O-N 3.13Å
522M32Very low49Very low162 Ų162121.8 Ų121.880%0.79865%0.652SS**  trans-78.193.3164-82.4-83170.200106.3S520 N524S520-M522 PolarHBondContact O-N 3Å; M522-N524 PolarHBondContact O-N 3.41Å; M522-N524 VanDerWaalsContact O-N 3.13Å
523T30.1Very low45.9Very low108 Ų108123.1 Ų123.166%0.66366%0.661SS**  trans-5.8102.2145.732.50000113.9P521 D525P521-T523 VanDerWaalsContact C-N 3.32Å; P521-T523 PolarHBondContact O-N 2.78Å; P521-T523 VanDerWaalsContact O-N 3.13Å; T523-D525 VanDerWaalsContact C-N 3.31Å; T523-D525 PolarHBondContact O-N 3.07Å
524N27.6Very low42.8Very low150 Ų150131 Ų13180%0.80270%0.695SS**  trans29.943.4138.8-142.421.4000120M522 K526M522-N524 PolarHBondContact O-N 3.41Å; M522-N524 VanDerWaalsContact O-N 3.13Å; N524-K526 VanDerWaalsContact C-N 3.29Å; N524-K526 PolarHBondContact O-N 3.4Å
525D32.8Very low39.8Very low131 Ų131136.8 Ų136.870%0.70173%0.725SS**  trans-94.131.9173.2-86.5-18.9000113.4T523 L527T523-D525 VanDerWaalsContact C-N 3.31Å; T523-D525 PolarHBondContact O-N 3.07Å; D525-L527 PolarHBondContact O-N 3.44Å
526K30.7Very low37Very low196 Ų196143.1 Ų143.185%0.85275%0.754SS**THydrogen-bonded Turntrans-683.6167.8-101-174.4177.8-178.90113.7N524N524-K526 VanDerWaalsContact C-N 3.29Å; N524-K526 PolarHBondContact O-N 3.4Å
527L30.6Very low34.6Very low150 Ų150150.7 Ų150.779%0.78579%0.786SS**THydrogen-bonded Turntrans-90.9-11-176.2-146.277.4000114.9D525D525-L527 PolarHBondContact O-N 3.44Å
528H31Very low32.9Very low132 Ų132154 Ų15461%0.61180%0.796SS**SBendtrans-101.1-8.7-174.1-84.5-65.1000116.9N530H528-N530 VanDerWaalsContact C-N 3.31Å; H528-N530 PolarHBondContact O-N 3.44Å
529L29Very low31.8Very low155 Ų155157.1 Ų157.181%0.81280%0.802SS**G310 helixtrans-76.4-16.9179.9-148.474.7000113.7
530N30.8Very low31.4Very low148 Ų148159.4 Ų159.479%0.79180%0.803SS**G310 helixtrans-89.92-178.6-86-17.2000115H528H528-N530 VanDerWaalsContact C-N 3.31Å; H528-N530 PolarHBondContact O-N 3.44Å
531K31.8Very low31.2Very low163 Ų163163.4 Ų163.471%0.70981%0.812SS**G310 helixtrans-87.5-7.5-177.4-143.4179.6179.7-174.30114.7
532Y31.2Very low31.1Very low221 Ų221165.5 Ų165.587%0.86781%0.81SS**SBendtrans-111.28.5-175.9-84.2-79.6000115.8
533M31Very low31.1Very low156 Ų156165.7 Ų165.777%0.76881%0.811SS**SBendtrans-11420.2-177.2-78.2-81.8-8400114
534K29.7Very low31.2Very low194 Ų194169.9 Ų169.984%0.84382%0.821SS**  trans-137.14.8-175.1-103.1-172.6179.6-176.70119
535D34.3Very low31.4Very low149 Ų149171.4 Ų171.480%0.79782%0.823SS**SBendtrans-103.1114.1173.2-68.5-26.4000110.1
536E34Very low31.3Very low186 Ų186174.8 Ų174.887%0.86983%0.833SS**  trans73102.1162-54.1-178.9168.900115.1
537L31.7Very low31.4Very low247 Ų247172.8 Ų172.8100%1.29383%0.831SS**  cis53.6049.1-113.1172.6000114.2

Retrieved 537 of 537 residues in 173.5 ms (Link to these results)

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