A0A096NW70_PAPAN Loading...

Par-6 family cell polarity regulator gamma

AlphaFold DB , UniProt , Accession A0A096NW70, Species PAPAN (Papio anubis, Olive baboon), Gene PARD6G, Length 376 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
1M36.1Very low37.6Very low225 Ų225172 Ų172100%1.10886%0.857SS**  0108.80-76.965172.300109.3
2N31.2Very low38.8Very low172 Ų172172.5 Ų172.592%0.9284%0.842SS**  trans-101.7107.4173.8-70.5-5000108.9
3R38.3Very low39.3Very low239 Ų239171.8 Ų171.890%0.90283%0.832SS**  trans-85112.3172.8-77.7-173.6173.9-176.9-1.1109.2
4S33.4Very low39.5Very low97 Ų97173.9 Ų173.968%0.67883%0.829SS**  trans-64.6129.4173-177.60000110.7H6S4-H6 PolarHBondContact O-N 3.47Å
5F40.7Very low40.2Very low198 Ų198171.5 Ų171.587%0.86882%0.823SS**  trans-76.4107.4164.4-80.7-92.5000108.6K7F5-K7 PolarHBondContact O-N 3.42Å
6H34.8Very low41.1Very low172 Ų172166.3 Ų166.380%0.79681%0.809SS**  trans-63.6101.9167.8-80.7-82.6000109.6S4 S8S4-H6 PolarHBondContact O-N 3.47Å; H6-S8 PolarHBondContact O-N 3.11Å
7K36.9Very low43.2Very low197 Ų197160.4 Ų160.486%0.85779%0.789SS**  trans-61.5103.9154.1-77.6178.3175.51750106.8F5 Q9F5-K7 PolarHBondContact O-N 3.42Å; K7-Q9 PolarHBondContact O-N 3.04Å
8S41.4Very low45.5Very low116 Ų116154.5 Ų154.581%0.81177%0.77SS**  trans-55.8114.6172.9-62.40000109.1H6H6-S8 PolarHBondContact O-N 3.11Å
9Q36Very low48Very low184 Ų184146.4 Ų146.486%0.8673%0.729SS**  trans-66.4132.7-172.2-163.1169.31500109.3K7 L11K7-Q9 PolarHBondContact O-N 3.04Å; Q9-L11 PolarHBondContact O-N 2.97Å
10T43Very low50.3Low114 Ų114143.9 Ų143.970%0.69972%0.715SS**  trans-63.1104.4-177.8-48.30000110.4R12T10-R12 HydrophobicContact CG2-CG 3.89Å; T10-R12 PolarHBondContact O-N 2.97Å; T10-R12 VanDerWaalsContact O-N 3.08Å
11L41.6Very low52.4Low178 Ų178137 Ų13793%0.93268%0.681SS**  trans-61.7110161.9-79.3171.1000107.7Q9Q9-L11 PolarHBondContact O-N 2.97Å
12R51.9Low55.3Low178 Ų178130 Ų13067%0.67265%0.645SS**  trans-109.4148.5170.7-70.3-167.4172.9-161.60.3109.2T10T10-R12 HydrophobicContact CG2-CG 3.89Å; T10-R12 PolarHBondContact O-N 2.97Å; T10-R12 VanDerWaalsContact O-N 3.08Å
13F45.2Very low58.4Low163 Ų163121.9 Ų121.972%0.71560%0.601SS**  trans68.2129176.4-47.2-80.9000112.3
14Y41.9Very low61.2Low202 Ų202113.8 Ų113.879%0.79257%0.572SS**SBendcis-134.6165.222.9-75-105.2000112.5C16Y14-C16 PolarHBondContact O-N 3.31Å
15D50.3Low64Low137 Ų137111 Ų11173%0.73355%0.548SS*.  trans45.253.4157.4-56-23.4000118.9S17D15-S17 PolarHBondContact O-N 3.21Å
16C55.6Low66.3Low89 Ų89104.4 Ų104.460%0.60154%0.535SS*.  trans-6898.4153.6-66.10000109.2Y14 A18Y14-C16 PolarHBondContact O-N 3.31Å; C16-A18 PolarHBondContact O-N 2.95Å
17S75.9Confident68.9Low66 Ų66100.7 Ų100.746%0.46253%0.534SS..  trans-60.3-21.6168.958.70000112.6D15 D35 R36D15-S17 PolarHBondContact O-N 3.21Å; S17-D35 CarbonylContact O-C 3.59Å; S17-D35 WeakPolarHBondContact O-CA 3.4Å; S17-R36 WeakPolarHBondContact O-CB 3.24Å; S17-R36 PolarHBondContact O-N 3.07Å
18A85.1Confident71.6Confident54 Ų5494.8 Ų94.845%0.44651%0.51SS..EExtended strand (participates in β ladder)trans-97.2128.817400000112.1C16 L34C16-A18 PolarHBondContact O-N 2.95Å; A18-L34 CarbonylContact C-O 3.58Å; A18-L34 WeakPolarHBondContact CA-O 3.31Å
19V91.8Very high74.1Confident1 Ų194.5 Ų94.51%0.00649%0.494CS..EExtended strand (participates in β ladder)trans-96126.2165.8-178.70000108.7S33 L34 R36 V84 A87 L91V19-S33 WeakPolarHBondContact O-CA 3.47Å; V19-L34 PolarHBondContact N-O 2.83Å; V19-L34 PolarHBondContact O-N 3.48Å; V19-R36 HydrophobicContact CG2-CB 3.94Å; V19-V84 HydrophobicContact CB-CG1 4.28Å; V19-V84 HydrophobicContact CG2-CG1 3.73Å; V19-A87 HydrophobicContact CG1-CB 3.73Å; V19-L91 HydrophobicContact CG1-CB 3.94Å
20E94Very high77Confident95 Ų9589.6 Ų89.644%0.44447%0.468SS..EExtended strand (participates in β ladder)trans-75.1133.9170.5-71.1-167.8-177.800110.6R31 L90 L91E20-R31 IonicContact OE2-CZ 2.68Å; E20-R31 IonicContact OE2-NH2 3.89Å; E20-R31 PolarHBondContact OE2-NH2 2.99Å; E20-L90 HydrophobicContact CB-CD1 3.69Å; E20-L90 CarbonylContact O-C 3.57Å; E20-L90 WeakPolarHBondContact O-CA 3.3Å; E20-L91 PolarHBondContact O-N 3.34Å
21V95.9Very high79.4Confident0 Ų092 Ų920%046%0.464CS..EExtended strand (participates in β ladder)trans-108.1127.9173.2-169.30000109.3R31 F32 L34 L91 V93V21-R31 VanDerWaalsContact O-CA 3.24Å; V21-R31 WeakPolarHBondContact O-CA 3.35Å; V21-F32 WeakPolarHBondContact CA-O 3.37Å; V21-F32 HydrophobicContact CB-CD2 3.98Å; V21-F32 HydrophobicContact CB-CE1 4.39Å; V21-F32 HydrophobicContact CB-CE2 3.79Å; V21-F32 HydrophobicContact CB-CG 4.37Å; V21-F32 HydrophobicContact CB-CZ 4.02Å; V21-F32 WeakPolarHBondContact CB-O 3.41Å; V21-F32 HydrophobicContact CG1-CE1 4.17Å; V21-F32 HydrophobicContact CG1-CE2 3.97Å; V21-F32 HydrophobicContact CG1-CZ 3.74Å; V21-F32 HydrophobicContact CG2-CD2 3.99Å; V21-F32 HydrophobicContact CG2-CE2 3.74Å; V21-F32 HydrophobicContact CG2-CZ 4.37Å; V21-F32 PolarHBondContact N-O 3.07Å; V21-F32 PolarHBondContact O-N 2.99Å; V21-L34 HydrophobicContact CG2-CB 4.44Å; V21-L34 HydrophobicContact CG2-CD1 3.68Å; V21-L34 HydrophobicContact CG2-CG 3.74Å; V21-L91 CarbonylContact C-O 3.51Å; V21-L91 WeakPolarHBondContact CA-O 3.48Å; V21-L91 HydrophobicContact CG2-CB 4.4Å; V21-L91 HydrophobicContact CG2-CD2 4.37Å; V21-V93 HydrophobicContact CG1-CB 4.35Å; V21-V93 HydrophobicContact CG1-CG2 3.61Å
22K96.2Very high81.9Confident79 Ų7985.3 Ų85.334%0.34343%0.428SS..EExtended strand (participates in β ladder)trans-108.9104.1163.5178.2174.5179.6176.30108.2F29 R31 L90 L91 V93K22-F29 HydrophobicContact CD-CD1 4.37Å; K22-F29 HydrophobicContact CG-CD1 4.23Å; K22-R31 HydrophobicContact CB-CG 4.39Å; K22-R31 HydrophobicContact CG-CG 4.48Å; K22-L90 HydrophobicContact CB-CD1 3.91Å; K22-L90 HydrophobicContact CB-CD2 4.05Å; K22-L90 HydrophobicContact CB-CG 4.21Å; K22-L90 HydrophobicContact CD-CD2 4.43Å; K22-L91 PolarHBondContact N-O 3.02Å; K22-V93 PolarHBondContact O-N 2.82Å
23S96.7Very high83.8Confident0 Ų080.7 Ų80.70%042%0.422CS..EExtended strand (participates in β ladder)trans-102129.1-175.6-175.80000110.8F29 R30 H53 V93 I95S23-F29 CarbonylContact O-C 3.53Å; S23-F29 WeakPolarHBondContact O-CA 3.29Å; S23-R30 PolarHBondContact N-O 2.84Å; S23-R30 PolarHBondContact O-N 3.45Å; S23-H53 WeakPolarHBondContact CB-NE2 3.2Å; S23-H53 PolarHBondContact O-CE1 3.05Å; S23-H53 PolarHBondContact OG-NE2 2.82Å; S23-V93 CarbonylContact C-O 3.54Å; S23-V93 WeakPolarHBondContact CA-O 3.35Å; S23-I95 VanDerWaalsContact OG-CD1 3.25Å; S23-I95 WeakPolarHBondContact OG-CD1 3.39Å
24K96.1Very high86.1Confident69 Ų6973.9 Ų73.930%0.339%0.394SS..EExtended strand (participates in β ladder)trans-118.9129.8-175.4-172.6-167-178.3-156.70111.2G26 E28 F29 V93 F94 I95K24-G26 WeakPolarHBondContact CE-O 3.37Å; K24-G26 PolarHBondContact NZ-O 2.83Å; K24-E28 WeakPolarHBondContact CA-O 3.26Å; K24-E28 WeakPolarHBondContact CG-O 3.28Å; K24-F29 HydrophobicContact CB-CD1 3.78Å; K24-F29 HydrophobicContact CB-CE1 3.74Å; K24-F29 HydrophobicContact CD-CD1 4.38Å; K24-F29 HydrophobicContact CD-CE1 3.56Å; K24-F29 HydrophobicContact CD-CZ 3.66Å; K24-F29 HydrophobicContact CG-CD1 3.76Å; K24-F29 HydrophobicContact CG-CE1 3.44Å; K24-F29 VanDerWaalsContact CG-CE1 3.44Å; K24-F29 HydrophobicContact CG-CE2 4.41Å; K24-F29 HydrophobicContact CG-CG 4.41Å; K24-F29 HydrophobicContact CG-CZ 3.82Å; K24-V93 PolarHBondContact N-O 3.36Å; K24-F94 HydrophobicContact CB-CD1 4.37Å; K24-F94 HydrophobicContact CD-CD1 4.05Å; K24-F94 HydrophobicContact CD-CE1 4.12Å; K24-I95 PolarHBondContact O-N 3.31Å
25F93.6Very high88.3Confident40 Ų4067.8 Ų67.818%0.17538%0.375CS..EExtended strand (participates in β ladder)trans-129.9118.9171.9-178.9-125.4000109.3A27 E28 H53 I55 I95 K97F25-A27 PolarHBondContact O-N 3.36Å; F25-E28 PolarHBondContact N-O 2.78Å; F25-E28 WeakPolarHBondContact O-CA 3.39Å; F25-E28 WeakPolarHBondContact O-CB 3.39Å; F25-E28 PolarHBondContact O-N 3.26Å; F25-H53 HydrophobicContact CB-CB 4.46Å; F25-H53 HydrophobicContact CD1-CB 4.42Å; F25-I55 HydrophobicContact CD1-CD1 3.98Å; F25-I55 HydrophobicContact CD1-CG1 4.09Å; F25-I55 HydrophobicContact CD2-CD1 4.02Å; F25-I55 HydrophobicContact CE1-CD1 3.95Å; F25-I55 HydrophobicContact CE1-CG1 3.84Å; F25-I55 HydrophobicContact CE2-CD1 3.99Å; F25-I55 HydrophobicContact CG-CD1 4.01Å; F25-I55 HydrophobicContact CZ-CD1 3.95Å; F25-I55 HydrophobicContact CZ-CG1 4.16Å; F25-I55 HydrophobicContact CZ-CG2 4.41Å; F25-I95 HydrophobicContact CB-CB 4.23Å; F25-I95 HydrophobicContact CB-CD1 4.14Å; F25-I95 HydrophobicContact CD2-CB 3.85Å; F25-I95 HydrophobicContact CD2-CG2 3.64Å; F25-I95 HydrophobicContact CE2-CG2 4.16Å; F25-I95 HydrophobicContact CG-CB 4.45Å; F25-I95 HydrophobicContact CG-CG2 4.45Å; F25-K97 HydrophobicContact CE2-CG 4.01Å; F25-K97 HydrophobicContact CZ-CG 4.02Å
26G88.6Confident90Very high58 Ų5864.7 Ų64.760%0.59835%0.353SS*.THydrogen-bonded Turntrans57.3-110.2-174.800000113.2K24K24-G26 WeakPolarHBondContact CE-O 3.37Å; K24-G26 PolarHBondContact NZ-O 2.83Å
27A89.5Confident91.4Very high94 Ų9466.8 Ų66.878%0.77735%0.353SS*.THydrogen-bonded Turntrans-99.7-11172.700000113.8F25F25-A27 PolarHBondContact O-N 3.36Å
28E93.1Very high91.8Very high73 Ų7371.9 Ų71.934%0.34137%0.367SS..EExtended strand (participates in β ladder)trans-83.4148.9-174.5-173.4171.6-173.900112.2K24 F25 R30K24-E28 WeakPolarHBondContact CA-O 3.26Å; K24-E28 WeakPolarHBondContact CG-O 3.28Å; F25-E28 PolarHBondContact N-O 2.78Å; F25-E28 WeakPolarHBondContact O-CA 3.39Å; F25-E28 WeakPolarHBondContact O-CB 3.39Å; F25-E28 PolarHBondContact O-N 3.26Å; E28-R30 HydrophobicContact CG-CG 4.47Å; E28-R30 IonicContact OE1-CZ 3.68Å; E28-R30 IonicContact OE1-NE 3.84Å; E28-R30 PolarHBondContact OE1-NE 2.75Å; E28-R30 IonicContact OE1-NH2 2.62Å; E28-R30 PolarHBondContact OE1-NH2 2.96Å
29F94.6Very high91.8Very high110 Ų11070.6 Ų70.648%0.48236%0.355SS..EExtended strand (participates in β ladder)trans-133.1131.6174.6-66.7-88.5000110.6K22 S23 K24K22-F29 HydrophobicContact CD-CD1 4.37Å; K22-F29 HydrophobicContact CG-CD1 4.23Å; S23-F29 CarbonylContact O-C 3.53Å; S23-F29 WeakPolarHBondContact O-CA 3.29Å; K24-F29 HydrophobicContact CB-CD1 3.78Å; K24-F29 HydrophobicContact CB-CE1 3.74Å; K24-F29 HydrophobicContact CD-CD1 4.38Å; K24-F29 HydrophobicContact CD-CE1 3.56Å; K24-F29 HydrophobicContact CD-CZ 3.66Å; K24-F29 HydrophobicContact CG-CD1 3.76Å; K24-F29 HydrophobicContact CG-CE1 3.44Å; K24-F29 VanDerWaalsContact CG-CE1 3.44Å; K24-F29 HydrophobicContact CG-CE2 4.41Å; K24-F29 HydrophobicContact CG-CG 4.41Å; K24-F29 HydrophobicContact CG-CZ 3.82Å
30R95.7Very high91.6Very high81 Ų8172.6 Ų72.631%0.30638%0.375SS..EExtended strand (participates in β ladder)trans-126149.9173.5-63.2-172.6175.3-119.9-4.5110.1S23 E28 T52 H54S23-R30 PolarHBondContact N-O 2.84Å; S23-R30 PolarHBondContact O-N 3.45Å; E28-R30 HydrophobicContact CG-CG 4.47Å; E28-R30 IonicContact OE1-CZ 3.68Å; E28-R30 IonicContact OE1-NE 3.84Å; E28-R30 PolarHBondContact OE1-NE 2.75Å; E28-R30 IonicContact OE1-NH2 2.62Å; E28-R30 PolarHBondContact OE1-NH2 2.96Å; R30-T52 HydrophobicContact CB-CG2 3.83Å; R30-T52 VanDerWaalsContact CD-CG2 3.5Å; R30-T52 WeakPolarHBondContact CD-O 3.23Å; R30-T52 HydrophobicContact CG-CG2 4.27Å; R30-T52 PolarHBondContact NE-O 2.95Å; R30-T52 PolarHBondContact NH1-O 3.07Å; R30-H54 PolarHBondContact NH1-CE1 2.72Å
31R94.5Very high91.5Very high165 Ų16573.9 Ų73.962%0.62338%0.379SS*.EExtended strand (participates in β ladder)trans-127.4138.5178.7-66.2177.382.2163.81.2110.2E20 V21 K22E20-R31 IonicContact OE2-CZ 2.68Å; E20-R31 IonicContact OE2-NH2 3.89Å; E20-R31 PolarHBondContact OE2-NH2 2.99Å; V21-R31 VanDerWaalsContact O-CA 3.24Å; V21-R31 WeakPolarHBondContact O-CA 3.35Å; K22-R31 HydrophobicContact CB-CG 4.39Å; K22-R31 HydrophobicContact CG-CG 4.48Å
32F94.3Very high91.3Very high38 Ų3875.3 Ų75.317%0.16739%0.385CS..EExtended strand (participates in β ladder)trans-153.3170.317555.4-92000108.3V21 L34 F45 L48 V49 T52V21-F32 WeakPolarHBondContact CA-O 3.37Å; V21-F32 HydrophobicContact CB-CD2 3.98Å; V21-F32 HydrophobicContact CB-CE1 4.39Å; V21-F32 HydrophobicContact CB-CE2 3.79Å; V21-F32 HydrophobicContact CB-CG 4.37Å; V21-F32 HydrophobicContact CB-CZ 4.02Å; V21-F32 WeakPolarHBondContact CB-O 3.41Å; V21-F32 HydrophobicContact CG1-CE1 4.17Å; V21-F32 HydrophobicContact CG1-CE2 3.97Å; V21-F32 HydrophobicContact CG1-CZ 3.74Å; V21-F32 HydrophobicContact CG2-CD2 3.99Å; V21-F32 HydrophobicContact CG2-CE2 3.74Å; V21-F32 HydrophobicContact CG2-CZ 4.37Å; V21-F32 PolarHBondContact N-O 3.07Å; V21-F32 PolarHBondContact O-N 2.99Å; F32-L34 HydrophobicContact CD2-CD2 4.41Å; F32-L34 HydrophobicContact CD2-CG 4.41Å; F32-L34 HydrophobicContact CE2-CD1 4.5Å; F32-L34 HydrophobicContact CE2-CD2 4.16Å; F32-L34 HydrophobicContact CE2-CG 4.17Å; F32-F45 HydrophobicContact CE2-CD2 4.4Å; F32-F45 AromaticContact CE2-CE2 3.85Å; F32-F45 HydrophobicContact CE2-CE2 3.85Å; F32-F45 AromaticContact CZ-CE2 3.8Å; F32-F45 HydrophobicContact CZ-CE2 3.8Å; F32-L48 HydrophobicContact CD2-CD2 4.05Å; F32-L48 HydrophobicContact CE2-CD2 3.84Å; F32-L48 HydrophobicContact CZ-CD2 4.45Å; F32-V49 HydrophobicContact CZ-CG2 4.1Å; F32-T52 HydrophobicContact CD1-CG2 4.22Å; F32-T52 HydrophobicContact CE1-CG2 4.4Å
33S92.2Very high91.1Very high80 Ų8076 Ų7656%0.55939%0.39SS*.EExtended strand (participates in β ladder)trans-109.6153.3176.245.30000111.4V19V19-S33 WeakPolarHBondContact O-CA 3.47Å
34L91.7Very high90.9Very high21 Ų2180.1 Ų80.111%0.1141%0.412CS..EExtended strand (participates in β ladder)trans-125.1153.3169.8-67.5175.3000109.7A18 V19 V21 F32 F45 L48 F80 V84A18-L34 CarbonylContact C-O 3.58Å; A18-L34 WeakPolarHBondContact CA-O 3.31Å; V19-L34 PolarHBondContact N-O 2.83Å; V19-L34 PolarHBondContact O-N 3.48Å; V21-L34 HydrophobicContact CG2-CB 4.44Å; V21-L34 HydrophobicContact CG2-CD1 3.68Å; V21-L34 HydrophobicContact CG2-CG 3.74Å; F32-L34 HydrophobicContact CD2-CD2 4.41Å; F32-L34 HydrophobicContact CD2-CG 4.41Å; F32-L34 HydrophobicContact CE2-CD1 4.5Å; F32-L34 HydrophobicContact CE2-CD2 4.16Å; F32-L34 HydrophobicContact CE2-CG 4.17Å; L34-F45 HydrophobicContact CD1-CD2 3.94Å; L34-F45 HydrophobicContact CD1-CE2 3.83Å; L34-F45 HydrophobicContact CD2-CD2 4.32Å; L34-L48 HydrophobicContact CD2-CD2 4.23Å; L34-F80 HydrophobicContact CD1-CE2 3.85Å; L34-F80 HydrophobicContact CD1-CZ 3.98Å; L34-V84 HydrophobicContact CD1-CG2 3.92Å
35D88.3Confident90.8Very high74 Ų7477.1 Ų77.140%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-74.9132.4168.6-169.1-46.5000109.9S17 H37 K38 P39S17-D35 CarbonylContact O-C 3.59Å; S17-D35 WeakPolarHBondContact O-CA 3.4Å; D35-H37 WeakPolarHBondContact OD1-CA 3.29Å; D35-H37 PolarHBondContact OD1-N 3.32Å; D35-K38 PolarHBondContact OD1-N 2.98Å; D35-P39 VanDerWaalsContact O-CA 3.23Å; D35-P39 WeakPolarHBondContact O-CA 3.33Å; D35-P39 WeakPolarHBondContact O-CB 3.37Å
36R86.9Confident90.8Very high71 Ų7177.6 Ų77.627%0.26840%0.4SS..SBendtrans-72.4-40.7177.8169.3154.7-77.5-178.3-7.3112.9S17 V19 V84 A87S17-R36 WeakPolarHBondContact O-CB 3.24Å; S17-R36 PolarHBondContact O-N 3.07Å; V19-R36 HydrophobicContact CG2-CB 3.94Å; R36-V84 PolarHBondContact NH2-O 2.97Å; R36-A87 PolarHBondContact NH2-O 3.39Å
37H84.1Confident91Very high134 Ų13480 Ų8062%0.6239%0.394SS*.SBendtrans-88.4-24.1-173.8-55.3-76.8000111.4D35D35-H37 WeakPolarHBondContact OD1-CA 3.29Å; D35-H37 PolarHBondContact OD1-N 3.32Å
38K85.1Confident91.2Very high172 Ų17278.6 Ų78.675%0.74837%0.373SS*.  trans-138.566.3176.9-162.1177-179.4178.90112.5D35 G40D35-K38 PolarHBondContact OD1-N 2.98Å; K38-G40 PolarHBondContact O-N 2.6Å; K38-G40 VanDerWaalsContact O-N 3.17Å
39P84.3Confident91.2Very high28 Ų2875.1 Ų75.118%0.18236%0.357CS..  trans-65.9-17.4-175.625.6-35000115.1D35 F80 V84D35-P39 VanDerWaalsContact O-CA 3.23Å; D35-P39 WeakPolarHBondContact O-CA 3.33Å; D35-P39 WeakPolarHBondContact O-CB 3.37Å; P39-F80 HydrophobicContact CB-CE1 3.77Å; P39-F80 HydrophobicContact CB-CZ 3.95Å; P39-F80 WeakPolarHBondContact O-CE1 3.2Å; P39-V84 HydrophobicContact CB-CB 4.34Å; P39-V84 HydrophobicContact CB-CG1 4.18Å; P39-V84 HydrophobicContact CB-CG2 4.06Å
40G89.1Confident91.1Very high42 Ų4271.3 Ų71.343%0.43334%0.342SS..  trans88.8-162.8-176.400000112.8K38K38-G40 PolarHBondContact O-N 2.6Å; K38-G40 VanDerWaalsContact O-N 3.17Å
41K91.2Very high91Very high123 Ų12374.3 Ų74.354%0.53536%0.36SS..  trans-92.4154.4176.4-63.5-172.2178-173.20111.5E43 D44 F45K41-E43 PolarHBondContact O-N 2.85Å; K41-D44 PolarHBondContact O-N 3.3Å; K41-F45 PolarHBondContact O-N 2.85Å; K41-F45 VanDerWaalsContact O-N 3.16Å
42F92.1Very high90.9Very high29 Ų2967.7 Ų67.713%0.12734%0.338CS..Hα-helixtrans-56.3-39.1173.6167.8-114000112.1D44 F45 Y46 I62 I74 N75 D77 F80F42-D44 VanDerWaalsContact C-N 3.32Å; F42-D44 PolarHBondContact O-N 2.81Å; F42-F45 HydrophobicContact CD2-CD1 4.37Å; F42-F45 CarbonylContact O-C 3.55Å; F42-F45 PolarHBondContact O-N 3.26Å; F42-Y46 AromaticContact CZ-CD2 3.99Å; F42-Y46 HydrophobicContact CZ-CD2 3.99Å; F42-Y46 WeakPolarHBondContact O-CB 3.4Å; F42-Y46 PolarHBondContact O-N 2.9Å; F42-I62 HydrophobicContact CE2-CD1 4.37Å; F42-I74 HydrophobicContact CD2-CG2 3.48Å; F42-I74 VanDerWaalsContact CD2-CG2 3.48Å; F42-I74 HydrophobicContact CE2-CB 4.25Å; F42-I74 HydrophobicContact CE2-CG2 3.63Å; F42-I74 WeakPolarHBondContact CE2-O 3.43Å; F42-I74 WeakPolarHBondContact CZ-O 3.32Å; F42-N75 WeakPolarHBondContact CD1-O 3.28Å; F42-N75 VanDerWaalsContact CE1-O 3.32Å; F42-N75 WeakPolarHBondContact CE1-O 3.35Å; F42-D77 WeakPolarHBondContact CB-OD1 3.46Å; F42-D77 PolarHBondContact N-OD1 2.93Å; F42-F80 HydrophobicContact CB-CB 4.13Å; F42-F80 HydrophobicContact CD2-CB 4.45Å
43E91.8Very high90.9Very high94 Ų9466.1 Ų66.144%0.43933%0.331SS..Hα-helixtrans-60.7-38.8179.1177.760.4-162.700112.7K41 K47K41-E43 PolarHBondContact O-N 2.85Å; E43-K47 VanDerWaalsContact CG-NZ 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 2.9Å; E43-K47 VanDerWaalsContact O-N 3.1Å; E43-K47 WeakPolarHBondContact OE1-CE 3.16Å; E43-K47 IonicContact OE1-NZ 2.72Å; E43-K47 PolarHBondContact OE1-NZ 2.78Å
44D92.7Very high90.9Very high87 Ų8768.7 Ų68.747%0.46533%0.334SS..Hα-helixtrans-72.9-38.9177.3-57.9-42.7000110.8K41 F42 K47 L48K41-D44 PolarHBondContact O-N 3.3Å; F42-D44 VanDerWaalsContact C-N 3.32Å; F42-D44 PolarHBondContact O-N 2.81Å; D44-K47 PolarHBondContact O-N 2.97Å; D44-L48 WeakPolarHBondContact O-CB 3.43Å; D44-L48 PolarHBondContact O-N 2.74Å
45F94.1Very high90.7Very high5 Ų568.3 Ų68.32%0.02233%0.332CS..Hα-helixtrans-65.1-38.6173.1175-108000112.7F32 L34 K41 F42 L48 V49 I62 I74 F80 V93F32-F45 HydrophobicContact CE2-CD2 4.4Å; F32-F45 AromaticContact CE2-CE2 3.85Å; F32-F45 HydrophobicContact CE2-CE2 3.85Å; F32-F45 AromaticContact CZ-CE2 3.8Å; F32-F45 HydrophobicContact CZ-CE2 3.8Å; L34-F45 HydrophobicContact CD1-CD2 3.94Å; L34-F45 HydrophobicContact CD1-CE2 3.83Å; L34-F45 HydrophobicContact CD2-CD2 4.32Å; K41-F45 PolarHBondContact O-N 2.85Å; K41-F45 VanDerWaalsContact O-N 3.16Å; F42-F45 HydrophobicContact CD2-CD1 4.37Å; F42-F45 CarbonylContact O-C 3.55Å; F42-F45 PolarHBondContact O-N 3.26Å; F45-L48 PolarHBondContact O-N 2.78Å; F45-V49 HydrophobicContact CD1-CG2 4.48Å; F45-V49 HydrophobicContact CD2-CG2 4.3Å; F45-V49 HydrophobicContact CE1-CG2 4.08Å; F45-V49 HydrophobicContact CE2-CG2 3.87Å; F45-V49 HydrophobicContact CZ-CG2 3.75Å; F45-V49 WeakPolarHBondContact O-CB 3.44Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 2.9Å; F45-I62 HydrophobicContact CE1-CD1 4.44Å; F45-I62 HydrophobicContact CE1-CG2 4.17Å; F45-I74 HydrophobicContact CE1-CD1 3.98Å; F45-F80 HydrophobicContact CB-CD2 4.22Å; F45-F80 HydrophobicContact CB-CE1 4.05Å; F45-F80 HydrophobicContact CB-CE2 3.66Å; F45-F80 HydrophobicContact CB-CZ 3.56Å; F45-F80 AromaticContact CD1-CD2 3.68Å; F45-F80 HydrophobicContact CD1-CD2 3.68Å; F45-F80 AromaticContact CD1-CE2 3.57Å; F45-F80 HydrophobicContact CD1-CE2 3.57Å; F45-F80 HydrophobicContact CD1-CZ 4.37Å; F45-F80 HydrophobicContact CD2-CD2 4.43Å; F45-F80 AromaticContact CD2-CE2 3.5Å; F45-F80 HydrophobicContact CD2-CE2 3.5Å; F45-F80 AromaticContact CD2-CZ 3.9Å; F45-F80 HydrophobicContact CD2-CZ 3.9Å; F45-F80 HydrophobicContact CE1-CD2 4.09Å; F45-F80 HydrophobicContact CE1-CE2 4.03Å; F45-F80 AromaticContact CE2-CE2 3.98Å; F45-F80 HydrophobicContact CE2-CE2 3.98Å; F45-F80 AromaticContact CG-CD2 3.85Å; F45-F80 HydrophobicContact CG-CD2 3.85Å; F45-F80 AromaticContact CG-CE2 3.27Å; F45-F80 HydrophobicContact CG-CE2 3.27Å; F45-F80 AromaticContact CG-CZ 3.69Å; F45-F80 HydrophobicContact CG-CZ 3.69Å; F45-F80 HydrophobicContact CZ-CE2 4.22Å; F45-V93 HydrophobicContact CZ-CG1 4.42Å; F45-V93 HydrophobicContact CZ-CG2 4.21Å
46Y93.3Very high90.3Very high50 Ų5069.7 Ų69.720%0.19635%0.347CS..Hα-helixtrans-61.5-48.7174.7-177.1-89.1000110.6F42 L48 V49 V50 V60 I62F42-Y46 AromaticContact CZ-CD2 3.99Å; F42-Y46 HydrophobicContact CZ-CD2 3.99Å; F42-Y46 WeakPolarHBondContact O-CB 3.4Å; F42-Y46 PolarHBondContact O-N 2.9Å; Y46-L48 PolarHBondContact O-N 2.91Å; Y46-V49 PolarHBondContact O-N 2.86Å; Y46-V50 HydrophobicContact CD1-CG2 4.11Å; Y46-V50 HydrophobicContact CE1-CG2 3.8Å; Y46-V50 WeakPolarHBondContact O-CB 3.27Å; Y46-V50 WeakPolarHBondContact O-CG2 3.42Å; Y46-V50 PolarHBondContact O-N 2.88Å; Y46-V60 HydrophobicContact CE2-CG2 3.59Å; Y46-V60 PolarHBondContact OH-N 3.4Å; Y46-I62 HydrophobicContact CD2-CD1 3.59Å; Y46-I62 HydrophobicContact CD2-CG1 4.25Å; Y46-I62 HydrophobicContact CE2-CD1 4.28Å; Y46-I62 HydrophobicContact CG-CD1 4.35Å
47K92.4Very high89.2Confident108 Ų10874.4 Ų74.447%0.4738%0.377SS..Hα-helixtrans-58.5-46.4173.7-74165.9-178.5145.70112.1E43 D44 V49 V50 H51E43-K47 VanDerWaalsContact CG-NZ 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 2.9Å; E43-K47 VanDerWaalsContact O-N 3.1Å; E43-K47 WeakPolarHBondContact OE1-CE 3.16Å; E43-K47 IonicContact OE1-NZ 2.72Å; E43-K47 PolarHBondContact OE1-NZ 2.78Å; D44-K47 PolarHBondContact O-N 2.97Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 3.13Å; K47-V50 PolarHBondContact O-N 2.99Å; K47-H51 VanDerWaalsContact O-CB 3.23Å; K47-H51 WeakPolarHBondContact O-CB 3.04Å; K47-H51 PolarHBondContact O-N 3.36Å
48L93.6Very high88.7Confident66 Ų6669.6 Ų69.635%0.34636%0.359SS..Hα-helixtrans-58.1-44.6176.3176.863.1000111.3F32 L34 D44 F45 Y46 T52F32-L48 HydrophobicContact CD2-CD2 4.05Å; F32-L48 HydrophobicContact CE2-CD2 3.84Å; F32-L48 HydrophobicContact CZ-CD2 4.45Å; L34-L48 HydrophobicContact CD2-CD2 4.23Å; D44-L48 WeakPolarHBondContact O-CB 3.43Å; D44-L48 PolarHBondContact O-N 2.74Å; F45-L48 PolarHBondContact O-N 2.78Å; Y46-L48 PolarHBondContact O-N 2.91Å; L48-T52 WeakPolarHBondContact O-CB 3.4Å; L48-T52 PolarHBondContact O-N 2.95Å; L48-T52 PolarHBondContact O-OG1 2.81Å
49V93.4Very high88.5Confident0 Ų065.6 Ų65.60%035%0.346CS..Hα-helixtrans-63.9-48.9178.11600000111.9F32 F45 Y46 K47 T52 H53 I62 I95F32-V49 HydrophobicContact CZ-CG2 4.1Å; F45-V49 HydrophobicContact CD1-CG2 4.48Å; F45-V49 HydrophobicContact CD2-CG2 4.3Å; F45-V49 HydrophobicContact CE1-CG2 4.08Å; F45-V49 HydrophobicContact CE2-CG2 3.87Å; F45-V49 HydrophobicContact CZ-CG2 3.75Å; F45-V49 WeakPolarHBondContact O-CB 3.44Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 2.9Å; Y46-V49 PolarHBondContact O-N 2.86Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 3.13Å; V49-T52 PolarHBondContact O-N 3.36Å; V49-H53 PolarHBondContact O-CD2 2.8Å; V49-H53 PolarHBondContact O-N 3.32Å; V49-I62 HydrophobicContact CB-CD1 4.14Å; V49-I62 HydrophobicContact CG1-CD1 3.9Å; V49-I62 HydrophobicContact CG2-CD1 4.37Å; V49-I95 HydrophobicContact CG1-CD1 3.37Å; V49-I95 HydrophobicContact CG1-CG1 3.79Å
50V92.4Very high88.7Confident29 Ų2964.5 Ų64.518%0.17634%0.339CS..Hα-helixtrans-61.1-47.1179.1166.40000111Y46 K47 H54 I55 V60Y46-V50 HydrophobicContact CD1-CG2 4.11Å; Y46-V50 HydrophobicContact CE1-CG2 3.8Å; Y46-V50 WeakPolarHBondContact O-CB 3.27Å; Y46-V50 WeakPolarHBondContact O-CG2 3.42Å; Y46-V50 PolarHBondContact O-N 2.88Å; K47-V50 PolarHBondContact O-N 2.99Å; V50-H54 PolarHBondContact O-N 3.08Å; V50-H54 VanDerWaalsContact O-N 3.1Å; V50-I55 HydrophobicContact CG1-CB 4.27Å; V50-I55 PolarHBondContact O-N 3.25Å; V50-V60 HydrophobicContact CG2-CG2 4.03Å
51H93Very high88.8Confident145 Ų14564.4 Ų64.467%0.67133%0.329SS*.Hα-helixtrans-62.4-48.1175.9-179.674.7000111.6K47 H53 H54K47-H51 VanDerWaalsContact O-CB 3.23Å; K47-H51 WeakPolarHBondContact O-CB 3.04Å; K47-H51 PolarHBondContact O-N 3.36Å; H51-H53 VanDerWaalsContact C-N 3.34Å; H51-H53 PolarHBondContact O-N 3.27Å; H51-H54 PolarHBondContact O-N 2.82Å; H51-H54 VanDerWaalsContact O-N 3.07Å
52T93.9Very high88.8Confident26 Ų2659 Ų5916%0.1631%0.306CS..Hα-helixtrans-58.1-44.9-178.5-66.20000111.5R30 F32 L48 V49 H54R30-T52 HydrophobicContact CB-CG2 3.83Å; R30-T52 VanDerWaalsContact CD-CG2 3.5Å; R30-T52 WeakPolarHBondContact CD-O 3.23Å; R30-T52 HydrophobicContact CG-CG2 4.27Å; R30-T52 PolarHBondContact NE-O 2.95Å; R30-T52 PolarHBondContact NH1-O 3.07Å; F32-T52 HydrophobicContact CD1-CG2 4.22Å; F32-T52 HydrophobicContact CE1-CG2 4.4Å; L48-T52 WeakPolarHBondContact O-CB 3.4Å; L48-T52 PolarHBondContact O-N 2.95Å; L48-T52 PolarHBondContact O-OG1 2.81Å; V49-T52 PolarHBondContact O-N 3.36Å; T52-H54 VanDerWaalsContact C-N 3.35Å; T52-H54 PolarHBondContact O-ND1 2.82Å; T52-H54 VanDerWaalsContact O-ND1 3.08Å
53H93.1Very high88.9Confident5 Ų558 Ų582%0.02330%0.304CS..THydrogen-bonded Turntrans-88.78.7178.3-72.7-85.5000114.5S23 F25 V49 H51 I55 I95S23-H53 WeakPolarHBondContact CB-NE2 3.2Å; S23-H53 PolarHBondContact O-CE1 3.05Å; S23-H53 PolarHBondContact OG-NE2 2.82Å; F25-H53 HydrophobicContact CB-CB 4.46Å; F25-H53 HydrophobicContact CD1-CB 4.42Å; V49-H53 PolarHBondContact O-CD2 2.8Å; V49-H53 PolarHBondContact O-N 3.32Å; H51-H53 VanDerWaalsContact C-N 3.34Å; H51-H53 PolarHBondContact O-N 3.27Å; H53-I55 HydrophobicContact CB-CD1 3.81Å; H53-I55 HydrophobicContact CB-CG1 3.65Å; H53-I55 PolarHBondContact O-N 2.83Å; H53-I95 WeakPolarHBondContact CD2-CD1 3.46Å; H53-I95 VanDerWaalsContact NE2-CD1 3.34Å; H53-I95 WeakPolarHBondContact NE2-CD1 3.22Å
54H91.6Very high89Confident134 Ų13453.6 Ų53.662%0.6228%0.284SS*.THydrogen-bonded Turntrans55.433.7177.5-58.761.5000113.5R30 V50 H51 T52 S56R30-H54 PolarHBondContact NH1-CE1 2.72Å; V50-H54 PolarHBondContact O-N 3.08Å; V50-H54 VanDerWaalsContact O-N 3.1Å; H51-H54 PolarHBondContact O-N 2.82Å; H51-H54 VanDerWaalsContact O-N 3.07Å; T52-H54 VanDerWaalsContact C-N 3.35Å; T52-H54 PolarHBondContact O-ND1 2.82Å; T52-H54 VanDerWaalsContact O-ND1 3.08Å; H54-S56 PolarHBondContact O-N 3.27Å
55I88.1Confident89Confident13 Ų1350.5 Ų50.57%0.06727%0.27CS..  trans-77.1117.6-172.9-54.5-179.4000109.6F25 V50 H53 N57 V60 I95F25-I55 HydrophobicContact CD1-CD1 3.98Å; F25-I55 HydrophobicContact CD1-CG1 4.09Å; F25-I55 HydrophobicContact CD2-CD1 4.02Å; F25-I55 HydrophobicContact CE1-CD1 3.95Å; F25-I55 HydrophobicContact CE1-CG1 3.84Å; F25-I55 HydrophobicContact CE2-CD1 3.99Å; F25-I55 HydrophobicContact CG-CD1 4.01Å; F25-I55 HydrophobicContact CZ-CD1 3.95Å; F25-I55 HydrophobicContact CZ-CG1 4.16Å; F25-I55 HydrophobicContact CZ-CG2 4.41Å; V50-I55 HydrophobicContact CG1-CB 4.27Å; V50-I55 PolarHBondContact O-N 3.25Å; H53-I55 HydrophobicContact CB-CD1 3.81Å; H53-I55 HydrophobicContact CB-CG1 3.65Å; H53-I55 PolarHBondContact O-N 2.83Å; I55-N57 PolarHBondContact O-N 2.96Å; I55-V60 HydrophobicContact CD1-CG1 4.1Å; I55-V60 HydrophobicContact CG2-CG1 4.01Å; I55-I95 HydrophobicContact CD1-CG2 3.98Å
56S79.9Confident88.8Confident102 Ų10251.6 Ų51.671%0.71328%0.276SS*.  trans-79.699.2-173.3-25.30000111.4H54 S58H54-S56 PolarHBondContact O-N 3.27Å; S56-S58 PolarHBondContact O-N 3.29Å; S56-S58 PolarHBondContact O-OG 3.49Å
57N63.7Low88.4Confident170 Ų17053.9 Ų53.991%0.90930%0.295SS*.SBendtrans35.140.1171.8-71.30.3000115.5I55I55-N57 PolarHBondContact O-N 2.96Å
58S73.1Confident88Confident34 Ų3456 Ų5624%0.23831%0.306CS..  trans-107.2131.3-179.7-60.30000107.9S56 V60S56-S58 PolarHBondContact O-N 3.29Å; S56-S58 PolarHBondContact O-OG 3.49Å; S58-V60 PolarHBondContact O-N 2.79Å
59D80.8Confident87.3Confident87 Ų8754.6 Ų54.647%0.46531%0.308SS..  trans-61.9119.6171.8-93.9-28.6000110R98D59-R98 HydrophobicContact CB-CB 4.05Å; D59-R98 VanDerWaalsContact CB-CZ 3.49Å; D59-R98 WeakPolarHBondContact O-CB 3.42Å; D59-R98 PolarHBondContact O-N 2.85Å; D59-R98 IonicContact OD1-CZ 3.55Å; D59-R98 IonicContact OD1-NH2 3.49Å; D59-R98 PolarHBondContact OD1-NH2 2.69Å; D59-R98 IonicContact OD2-CZ 2.71Å; D59-R98 IonicContact OD2-NE 3.52Å; D59-R98 IonicContact OD2-NH1 2.73Å; D59-R98 PolarHBondContact OD2-NH1 3.07Å; D59-R98 IonicContact OD2-NH2 3.85Å; D59-R98 PolarHBondContact OD2-NH2 3.12Å; D59-R98 VanDerWaalsContact OD2-NH2 3.1Å
60V89.1Confident86.9Confident6 Ų658.7 Ų58.74%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-114.1149.7177.7-65.40000111.6Y46 V50 I55 S58 I95 Q96Y46-V60 HydrophobicContact CE2-CG2 3.59Å; Y46-V60 PolarHBondContact OH-N 3.4Å; V50-V60 HydrophobicContact CG2-CG2 4.03Å; I55-V60 HydrophobicContact CD1-CG1 4.1Å; I55-V60 HydrophobicContact CG2-CG1 4.01Å; S58-V60 PolarHBondContact O-N 2.79Å; V60-I95 HydrophobicContact CB-CG2 3.76Å; V60-I95 HydrophobicContact CG1-CG2 3.94Å; V60-I95 HydrophobicContact CG2-CG2 4.03Å; V60-Q96 CarbonylContact C-O 3.47Å; V60-Q96 VanDerWaalsContact CA-O 3.23Å; V60-Q96 WeakPolarHBondContact CA-O 3.35Å; V60-Q96 WeakPolarHBondContact CB-O 3.46Å
61T90.4Very high86.8Confident39 Ų3961.6 Ų61.624%0.23934%0.344CS..EExtended strand (participates in β ladder)trans-101.6133.1166.9540000108.8I95 Q96T61-I95 WeakPolarHBondContact O-CA 3.47Å; T61-Q96 PolarHBondContact N-O 3.16Å; T61-Q96 PolarHBondContact O-N 2.89Å; T61-Q96 PolarHBondContact OG1-O 2.84Å
62I93.2Very high86.6Confident9 Ų957.8 Ų57.85%0.04633%0.328CS..EExtended strand (participates in β ladder)trans-108.4135.8177.4-53.9-177.8000108.3F42 F45 Y46 V49 I74 V93F42-I62 HydrophobicContact CE2-CD1 4.37Å; F45-I62 HydrophobicContact CE1-CD1 4.44Å; F45-I62 HydrophobicContact CE1-CG2 4.17Å; Y46-I62 HydrophobicContact CD2-CD1 3.59Å; Y46-I62 HydrophobicContact CD2-CG1 4.25Å; Y46-I62 HydrophobicContact CE2-CD1 4.28Å; Y46-I62 HydrophobicContact CG-CD1 4.35Å; V49-I62 HydrophobicContact CB-CD1 4.14Å; V49-I62 HydrophobicContact CG1-CD1 3.9Å; V49-I62 HydrophobicContact CG2-CD1 4.37Å; I62-I74 HydrophobicContact CB-CB 4.37Å; I62-I74 HydrophobicContact CG2-CB 4.09Å; I62-I74 HydrophobicContact CG2-CD1 4.19Å; I62-I74 HydrophobicContact CG2-CG1 4.38Å; I62-I74 PolarHBondContact O-N 3.12Å; I62-V93 HydrophobicContact CG2-CG1 3.44Å; I62-V93 VanDerWaalsContact CG2-CG1 3.44Å
63G93.3Very high86.5Confident8 Ų859.8 Ų59.88%0.08234%0.342CS..EExtended strand (participates in β ladder)trans-139161.9170.200000111.6L72 V93 F94G63-L72 CarbonylContact C-O 3.56Å; G63-L72 WeakPolarHBondContact CA-O 3.28Å; G63-V93 CarbonylContact O-C 3.57Å; G63-V93 WeakPolarHBondContact O-CA 3.39Å; G63-F94 PolarHBondContact N-O 2.9Å; G63-F94 PolarHBondContact O-N 2.72Å
64Y94.8Very high86.4Confident3 Ų359.7 Ų59.71%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-126.2148.3176.277-76000111.9D66 L71 L72 I74 A83 L91 R92Y64-D66 HydrophobicContact CD2-CB 4.39Å; Y64-D66 HydrophobicContact CE2-CB 3.76Å; Y64-L71 CarbonylContact O-C 3.58Å; Y64-L71 WeakPolarHBondContact O-CA 3.16Å; Y64-L72 HydrophobicContact CD1-CB 4.03Å; Y64-L72 WeakPolarHBondContact CD1-O 3.05Å; Y64-L72 HydrophobicContact CE1-CB 3.59Å; Y64-L72 HydrophobicContact CE1-CD1 4.33Å; Y64-L72 PolarHBondContact N-O 3.09Å; Y64-L72 PolarHBondContact O-N 3.27Å; Y64-I74 HydrophobicContact CD1-CD1 4.18Å; Y64-I74 HydrophobicContact CD1-CG1 3.64Å; Y64-I74 HydrophobicContact CE1-CG1 4.46Å; Y64-I74 HydrophobicContact CG-CD1 4.43Å; Y64-I74 HydrophobicContact CG-CG1 4.34Å; Y64-A83 HydrophobicContact CD1-CB 3.6Å; Y64-A83 HydrophobicContact CD2-CB 3.76Å; Y64-A83 HydrophobicContact CE1-CB 3.67Å; Y64-A83 HydrophobicContact CE2-CB 3.84Å; Y64-A83 HydrophobicContact CG-CB 3.64Å; Y64-L91 HydrophobicContact CD2-CD1 3.97Å; Y64-L91 HydrophobicContact CG-CD1 4.15Å; Y64-R92 CarbonylContact C-O 3.59Å; Y64-R92 WeakPolarHBondContact CA-O 3.43Å
65A92.7Very high86.3Confident22 Ų2254.8 Ų54.818%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-84.7117.5166.600000109.2D70 R92 F94A65-D70 WeakPolarHBondContact CA-O 3.47Å; A65-R92 HydrophobicContact CB-CB 4.25Å; A65-R92 PolarHBondContact N-O 3.33Å; A65-F94 HydrophobicContact CB-CE2 3.94Å
66D89.1Confident86.3Confident28 Ų2855.1 Ų55.115%0.1532%0.322CS..  trans-73.7176.4176.6-16946.7000112Y64 H68 G69 D70 L72 S86Y64-D66 HydrophobicContact CD2-CB 4.39Å; Y64-D66 HydrophobicContact CE2-CB 3.76Å; D66-H68 PolarHBondContact O-N 3.36Å; D66-H68 VanDerWaalsContact O-N 3.14Å; D66-H68 IonicContact OD2-CD2 2.68Å; D66-G69 PolarHBondContact O-N 3.37Å; D66-D70 PolarHBondContact N-O 2.72Å; D66-L72 HydrophobicContact CB-CD1 4.07Å; D66-S86 WeakPolarHBondContact OD1-CB 3.21Å; D66-S86 PolarHBondContact OD1-OG 3.13Å
67V84.3Confident86.7Confident97 Ų9753.3 Ų53.359%0.58830%0.304SS*.THydrogen-bonded Turntrans-57.7-27.1179.4-60.50000113.5S86V67-S86 WeakPolarHBondContact CG1-O 3.41Å
68H83.5Confident87.8Confident152 Ų15249.7 Ų49.770%0.70429%0.285SS*.THydrogen-bonded Turntrans-81.4-11.7175.3-61-69.6000113.8D66D66-H68 PolarHBondContact O-N 3.36Å; D66-H68 VanDerWaalsContact O-N 3.14Å; D66-H68 IonicContact OD2-CD2 2.68Å
69G80.1Confident88.6Confident38 Ų3850 Ų5039%0.39228%0.283SS..SBendtrans94.2-4.4-178.200000114.9D66D66-G69 PolarHBondContact O-N 3.37Å
70D85.6Confident89.2Confident86 Ų8645.8 Ų45.846%0.4626%0.261SS..  trans-70.3139.2177.9-62.7-54.5000112.2A65 D66 L72A65-D70 WeakPolarHBondContact CA-O 3.47Å; D66-D70 PolarHBondContact N-O 2.72Å; D70-L72 PolarHBondContact O-N 3.28Å
71L89.2Confident89.3Confident90 Ų9048 Ų4847%0.47128%0.276SS..EExtended strand (participates in β ladder)trans-88.8102.2178.5-175.966.1000110.2Y64 F94Y64-L71 CarbonylContact O-C 3.58Å; Y64-L71 WeakPolarHBondContact O-CA 3.16Å; L71-F94 HydrophobicContact CD1-CB 4.18Å; L71-F94 HydrophobicContact CD1-CD2 3.53Å; L71-F94 HydrophobicContact CD1-CE2 4.23Å; L71-F94 HydrophobicContact CD1-CG 4.08Å
72L89.4Confident89.3Confident64 Ų6452.2 Ų52.234%0.33529%0.291SS..EExtended strand (participates in β ladder)trans-103.5143.5-178.7-60.6179.5000111G63 Y64 D66 D70G63-L72 CarbonylContact C-O 3.56Å; G63-L72 WeakPolarHBondContact CA-O 3.28Å; Y64-L72 HydrophobicContact CD1-CB 4.03Å; Y64-L72 WeakPolarHBondContact CD1-O 3.05Å; Y64-L72 HydrophobicContact CE1-CB 3.59Å; Y64-L72 HydrophobicContact CE1-CD1 4.33Å; Y64-L72 PolarHBondContact N-O 3.09Å; Y64-L72 PolarHBondContact O-N 3.27Å; D66-L72 HydrophobicContact CB-CD1 4.07Å; D70-L72 PolarHBondContact O-N 3.28Å
73P91.1Very high89.2Confident68 Ų6851.8 Ų51.844%0.44229%0.289SS..EExtended strand (participates in β ladder)trans-71.7141-179.829.7-34.7000112
74I92.3Very high89.2Confident3 Ų351.4 Ų51.42%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-102.6104160.1-49.9-177.3000106.8F42 F45 I62 Y64 F80 A83F42-I74 HydrophobicContact CD2-CG2 3.48Å; F42-I74 VanDerWaalsContact CD2-CG2 3.48Å; F42-I74 HydrophobicContact CE2-CB 4.25Å; F42-I74 HydrophobicContact CE2-CG2 3.63Å; F42-I74 WeakPolarHBondContact CE2-O 3.43Å; F42-I74 WeakPolarHBondContact CZ-O 3.32Å; F45-I74 HydrophobicContact CE1-CD1 3.98Å; I62-I74 HydrophobicContact CB-CB 4.37Å; I62-I74 HydrophobicContact CG2-CB 4.09Å; I62-I74 HydrophobicContact CG2-CD1 4.19Å; I62-I74 HydrophobicContact CG2-CG1 4.38Å; I62-I74 PolarHBondContact O-N 3.12Å; Y64-I74 HydrophobicContact CD1-CD1 4.18Å; Y64-I74 HydrophobicContact CD1-CG1 3.64Å; Y64-I74 HydrophobicContact CE1-CG1 4.46Å; Y64-I74 HydrophobicContact CG-CD1 4.43Å; Y64-I74 HydrophobicContact CG-CG1 4.34Å; I74-F80 HydrophobicContact CG2-CB 3.71Å; I74-F80 HydrophobicContact CG2-CD2 4.2Å; I74-F80 HydrophobicContact CG2-CG 4.4Å; I74-A83 HydrophobicContact CD1-CB 3.93Å; I74-A83 HydrophobicContact CG1-CB 4.3Å
75N88.9Confident88.9Confident32 Ų3255 Ų5517%0.17131%0.311CS..  trans-132.9-8-175.148.2-0.5000114.1F42 N79 D139F42-N75 WeakPolarHBondContact CD1-O 3.28Å; F42-N75 VanDerWaalsContact CE1-O 3.32Å; F42-N75 WeakPolarHBondContact CE1-O 3.35Å; N75-N79 PolarHBondContact OD1-ND2 3.29Å; N75-D139 WeakPolarHBondContact CB-OD1 3.37Å; N75-D139 PolarHBondContact ND2-N 3.32Å; N75-D139 PolarHBondContact ND2-OD1 3.31Å; N75-D139 PolarHBondContact OD1-OD1 3.03Å
76N87.7Confident88.7Confident19 Ų1955.5 Ų55.510%0.10231%0.313CS..SBendtrans-152.1172.1178.45964.6000111.1D78 N79 F80 D139N76-D78 PolarHBondContact O-N 2.77Å; N76-D78 PolarHBondContact OD1-N 2.93Å; N76-D78 VanDerWaalsContact OD1-N 3.12Å; N76-N79 PolarHBondContact ND2-ND2 3.3Å; N76-N79 PolarHBondContact O-N 2.94Å; N76-N79 WeakPolarHBondContact OD1-CB 3.5Å; N76-N79 PolarHBondContact OD1-N 3.27Å; N76-F80 WeakPolarHBondContact O-CB 3.44Å; N76-F80 PolarHBondContact O-N 3.15Å; N76-D139 PolarHBondContact ND2-OD1 2.94Å
77D89.2Confident88.6Confident65 Ų6554.5 Ų54.535%0.34831%0.309SS..Hα-helixtrans-60-39.3-178.3-69.1-16.2000112.9F42 F80 C81F42-D77 WeakPolarHBondContact CB-OD1 3.46Å; F42-D77 PolarHBondContact N-OD1 2.93Å; D77-F80 PolarHBondContact O-N 2.72Å; D77-C81 WeakPolarHBondContact O-CB 3.49Å; D77-C81 PolarHBondContact O-N 3.31Å; D77-C81 PolarHBondContact O-SG 2.85Å
78D85.9Confident88.5Confident94 Ų9455.6 Ų55.650%0.50331%0.311SS..Hα-helixtrans-67.5-46.5-178.8-59.5-58.2000111.9N76 F80 C81 K82N76-D78 PolarHBondContact O-N 2.77Å; N76-D78 PolarHBondContact OD1-N 2.93Å; N76-D78 VanDerWaalsContact OD1-N 3.12Å; D78-F80 VanDerWaalsContact C-N 3.3Å; D78-F80 PolarHBondContact O-N 2.9Å; D78-C81 PolarHBondContact O-N 2.85Å; D78-K82 VanDerWaalsContact O-CB 3.27Å; D78-K82 WeakPolarHBondContact O-CB 3.46Å; D78-K82 PolarHBondContact O-N 3.47Å
79N90.6Very high88.2Confident39 Ų3952.9 Ų52.921%0.20931%0.307CS..Hα-helixtrans-66.1-34.2176.9-75.7-20.8000111.4N75 N76 A83N75-N79 PolarHBondContact OD1-ND2 3.29Å; N76-N79 PolarHBondContact ND2-ND2 3.3Å; N76-N79 PolarHBondContact O-N 2.94Å; N76-N79 WeakPolarHBondContact OD1-CB 3.5Å; N76-N79 PolarHBondContact OD1-N 3.27Å; N79-A83 VanDerWaalsContact O-CB 3.3Å; N79-A83 WeakPolarHBondContact O-CB 3.37Å; N79-A83 PolarHBondContact O-N 2.88Å
80F93.1Very high88.7Confident0 Ų053 Ų530%030%0.298CS..Hα-helixtrans-66.1-51.1172.3176-124.1000112L34 P39 F42 F45 I74 N76 D77 D78 K82 A83 V84L34-F80 HydrophobicContact CD1-CE2 3.85Å; L34-F80 HydrophobicContact CD1-CZ 3.98Å; P39-F80 HydrophobicContact CB-CE1 3.77Å; P39-F80 HydrophobicContact CB-CZ 3.95Å; P39-F80 WeakPolarHBondContact O-CE1 3.2Å; F42-F80 HydrophobicContact CB-CB 4.13Å; F42-F80 HydrophobicContact CD2-CB 4.45Å; F45-F80 HydrophobicContact CB-CD2 4.22Å; F45-F80 HydrophobicContact CB-CE1 4.05Å; F45-F80 HydrophobicContact CB-CE2 3.66Å; F45-F80 HydrophobicContact CB-CZ 3.56Å; F45-F80 AromaticContact CD1-CD2 3.68Å; F45-F80 HydrophobicContact CD1-CD2 3.68Å; F45-F80 AromaticContact CD1-CE2 3.57Å; F45-F80 HydrophobicContact CD1-CE2 3.57Å; F45-F80 HydrophobicContact CD1-CZ 4.37Å; F45-F80 HydrophobicContact CD2-CD2 4.43Å; F45-F80 AromaticContact CD2-CE2 3.5Å; F45-F80 HydrophobicContact CD2-CE2 3.5Å; F45-F80 AromaticContact CD2-CZ 3.9Å; F45-F80 HydrophobicContact CD2-CZ 3.9Å; F45-F80 HydrophobicContact CE1-CD2 4.09Å; F45-F80 HydrophobicContact CE1-CE2 4.03Å; F45-F80 AromaticContact CE2-CE2 3.98Å; F45-F80 HydrophobicContact CE2-CE2 3.98Å; F45-F80 AromaticContact CG-CD2 3.85Å; F45-F80 HydrophobicContact CG-CD2 3.85Å; F45-F80 AromaticContact CG-CE2 3.27Å; F45-F80 HydrophobicContact CG-CE2 3.27Å; F45-F80 AromaticContact CG-CZ 3.69Å; F45-F80 HydrophobicContact CG-CZ 3.69Å; F45-F80 HydrophobicContact CZ-CE2 4.22Å; I74-F80 HydrophobicContact CG2-CB 3.71Å; I74-F80 HydrophobicContact CG2-CD2 4.2Å; I74-F80 HydrophobicContact CG2-CG 4.4Å; N76-F80 WeakPolarHBondContact O-CB 3.44Å; N76-F80 PolarHBondContact O-N 3.15Å; D77-F80 PolarHBondContact O-N 2.72Å; D78-F80 VanDerWaalsContact C-N 3.3Å; D78-F80 PolarHBondContact O-N 2.9Å; F80-K82 VanDerWaalsContact C-N 3.29Å; F80-K82 PolarHBondContact O-N 2.9Å; F80-A83 PolarHBondContact O-N 3.45Å; F80-V84 HydrophobicContact CD2-CG2 4.2Å; F80-V84 HydrophobicContact CE2-CG2 3.77Å; F80-V84 HydrophobicContact CZ-CG2 4.14Å; F80-V84 WeakPolarHBondContact O-CG2 3.41Å; F80-V84 PolarHBondContact O-N 2.96Å
81C91Very high89.1Confident51 Ų5149 Ų4935%0.34528%0.277SS..Hα-helixtrans-57.5-41.6175.8-73.40000112.1D77 D78 V84 S85D77-C81 WeakPolarHBondContact O-CB 3.49Å; D77-C81 PolarHBondContact O-N 3.31Å; D77-C81 PolarHBondContact O-SG 2.85Å; D78-C81 PolarHBondContact O-N 2.85Å; C81-V84 PolarHBondContact O-N 3.12Å; C81-S85 VanDerWaalsContact O-CB 3.23Å; C81-S85 WeakPolarHBondContact O-CB 3.49Å; C81-S85 PolarHBondContact O-N 3.18Å; C81-S85 PolarHBondContact O-OG 2.95Å
82K89.8Confident89.4Confident128 Ų12851.5 Ų51.556%0.55728%0.28SS*.Hα-helixtrans-64.6-43.5176.6-170.2174.9-177.6-178.80112D78 F80 S85 S86D78-K82 VanDerWaalsContact O-CB 3.27Å; D78-K82 WeakPolarHBondContact O-CB 3.46Å; D78-K82 PolarHBondContact O-N 3.47Å; F80-K82 VanDerWaalsContact C-N 3.29Å; F80-K82 PolarHBondContact O-N 2.9Å; K82-S85 PolarHBondContact O-N 3.19Å; K82-S86 PolarHBondContact O-N 2.71Å; K82-S86 PolarHBondContact O-OG 3.38Å
83A92.3Very high89.7Confident0 Ų048.5 Ų48.50%027%0.265CS..Hα-helixtrans-61.4-43.4176.600000112.6Y64 I74 N79 F80 S85 A87 L91Y64-A83 HydrophobicContact CD1-CB 3.6Å; Y64-A83 HydrophobicContact CD2-CB 3.76Å; Y64-A83 HydrophobicContact CE1-CB 3.67Å; Y64-A83 HydrophobicContact CE2-CB 3.84Å; Y64-A83 HydrophobicContact CG-CB 3.64Å; I74-A83 HydrophobicContact CD1-CB 3.93Å; I74-A83 HydrophobicContact CG1-CB 4.3Å; N79-A83 VanDerWaalsContact O-CB 3.3Å; N79-A83 WeakPolarHBondContact O-CB 3.37Å; N79-A83 PolarHBondContact O-N 2.88Å; F80-A83 PolarHBondContact O-N 3.45Å; A83-S85 VanDerWaalsContact C-N 3.35Å; A83-A87 WeakPolarHBondContact O-CB 3.19Å; A83-A87 PolarHBondContact O-N 2.83Å; A83-L91 HydrophobicContact CB-CD1 4.02Å; A83-L91 HydrophobicContact CB-CD2 4.42Å
84V92.2Very high89.8Confident0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-67.7-37.1176.8177.50000111.5V19 L34 R36 P39 F80 C81 L91V19-V84 HydrophobicContact CB-CG1 4.28Å; V19-V84 HydrophobicContact CG2-CG1 3.73Å; L34-V84 HydrophobicContact CD1-CG2 3.92Å; R36-V84 PolarHBondContact NH2-O 2.97Å; P39-V84 HydrophobicContact CB-CB 4.34Å; P39-V84 HydrophobicContact CB-CG1 4.18Å; P39-V84 HydrophobicContact CB-CG2 4.06Å; F80-V84 HydrophobicContact CD2-CG2 4.2Å; F80-V84 HydrophobicContact CE2-CG2 3.77Å; F80-V84 HydrophobicContact CZ-CG2 4.14Å; F80-V84 WeakPolarHBondContact O-CG2 3.41Å; F80-V84 PolarHBondContact O-N 2.96Å; C81-V84 PolarHBondContact O-N 3.12Å; V84-L91 HydrophobicContact CG2-CD2 4.08Å
85S89Confident89.9Confident79 Ų7948.6 Ų48.655%0.55226%0.258SS*.Hα-helixtrans-73.7-38.7-179.3-64.60000113.2C81 K82 A83C81-S85 VanDerWaalsContact O-CB 3.23Å; C81-S85 WeakPolarHBondContact O-CB 3.49Å; C81-S85 PolarHBondContact O-N 3.18Å; C81-S85 PolarHBondContact O-OG 2.95Å; K82-S85 PolarHBondContact O-N 3.19Å; A83-S85 VanDerWaalsContact C-N 3.35Å
86S88.3Confident90Very high32 Ų3251.4 Ų51.422%0.22427%0.27CS..Hα-helixtrans-79.9-22.7179.678.40000113.8D66 V67 K82 N88D66-S86 WeakPolarHBondContact OD1-CB 3.21Å; D66-S86 PolarHBondContact OD1-OG 3.13Å; V67-S86 WeakPolarHBondContact CG1-O 3.41Å; K82-S86 PolarHBondContact O-N 2.71Å; K82-S86 PolarHBondContact O-OG 3.38Å; S86-N88 PolarHBondContact O-N 2.86Å
87A87.8Confident89.9Confident8 Ų853 Ų537%0.06628%0.277CS..  trans-57.1127.2178.800000113V19 R36 A83 L91V19-A87 HydrophobicContact CG1-CB 3.73Å; R36-A87 PolarHBondContact NH2-O 3.39Å; A83-A87 WeakPolarHBondContact O-CB 3.19Å; A83-A87 PolarHBondContact O-N 2.83Å; A87-L91 HydrophobicContact CB-CB 3.66Å; A87-L91 HydrophobicContact CB-CD1 4.31Å; A87-L91 HydrophobicContact CB-CG 4.48Å
88N81.8Confident89.3Confident119 Ų11953.6 Ų53.664%0.63627%0.274SS*.SBendtrans-148109.7177.3-165.4-24000112.6S86 L90S86-N88 PolarHBondContact O-N 2.86Å; N88-L90 VanDerWaalsContact C-N 3.31Å
89P77.8Confident88.3Confident96 Ų9654.6 Ų54.662%0.62328%0.275SS*.SBendcis-82-5.6-17.335.6-35.9000113
90L89.4Confident86.9Confident40 Ų4058.3 Ų58.321%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-116.5117.4-166.2-175.775.5000111.8E20 K22 N88 R92E20-L90 HydrophobicContact CB-CD1 3.69Å; E20-L90 CarbonylContact O-C 3.57Å; E20-L90 WeakPolarHBondContact O-CA 3.3Å; K22-L90 HydrophobicContact CB-CD1 3.91Å; K22-L90 HydrophobicContact CB-CD2 4.05Å; K22-L90 HydrophobicContact CB-CG 4.21Å; K22-L90 HydrophobicContact CD-CD2 4.43Å; N88-L90 VanDerWaalsContact C-N 3.31Å; L90-R92 HydrophobicContact CD2-CG 4.06Å; L90-R92 HydrophobicContact CG-CG 4.34Å; L90-R92 PolarHBondContact O-N 3.39Å
91L94.4Very high85.2Confident2 Ų259.5 Ų59.51%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-77116.9167.4179.651.7000109.4V19 E20 V21 K22 Y64 A83 V84 A87 V93V19-L91 HydrophobicContact CG1-CB 3.94Å; E20-L91 PolarHBondContact O-N 3.34Å; V21-L91 CarbonylContact C-O 3.51Å; V21-L91 WeakPolarHBondContact CA-O 3.48Å; V21-L91 HydrophobicContact CG2-CB 4.4Å; V21-L91 HydrophobicContact CG2-CD2 4.37Å; K22-L91 PolarHBondContact N-O 3.02Å; Y64-L91 HydrophobicContact CD2-CD1 3.97Å; Y64-L91 HydrophobicContact CG-CD1 4.15Å; A83-L91 HydrophobicContact CB-CD1 4.02Å; A83-L91 HydrophobicContact CB-CD2 4.42Å; V84-L91 HydrophobicContact CG2-CD2 4.08Å; A87-L91 HydrophobicContact CB-CB 3.66Å; A87-L91 HydrophobicContact CB-CD1 4.31Å; A87-L91 HydrophobicContact CB-CG 4.48Å; L91-V93 HydrophobicContact CD1-CG2 4.36Å; L91-V93 HydrophobicContact CD2-CG2 4.21Å; L91-V93 HydrophobicContact CG-CG2 3.79Å
92R94.9Very high83.3Confident143 Ų14361.4 Ų61.454%0.5431%0.305SS..EExtended strand (participates in β ladder)trans-98.6110.4178.8-66.5175.8-177.3145.51.3109.6Y64 A65 L90 F94Y64-R92 CarbonylContact C-O 3.59Å; Y64-R92 WeakPolarHBondContact CA-O 3.43Å; A65-R92 HydrophobicContact CB-CB 4.25Å; A65-R92 PolarHBondContact N-O 3.33Å; L90-R92 HydrophobicContact CD2-CG 4.06Å; L90-R92 HydrophobicContact CG-CG 4.34Å; L90-R92 PolarHBondContact O-N 3.39Å; R92-F94 HydrophobicContact CB-CE2 4.19Å
93V96Very high81.3Confident1 Ų166.2 Ų66.21%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-108.4137.5-175.7-177.10000110.1V21 K22 S23 K24 F45 I62 G63 L91 I95V21-V93 HydrophobicContact CG1-CB 4.35Å; V21-V93 HydrophobicContact CG1-CG2 3.61Å; K22-V93 PolarHBondContact O-N 2.82Å; S23-V93 CarbonylContact C-O 3.54Å; S23-V93 WeakPolarHBondContact CA-O 3.35Å; K24-V93 PolarHBondContact N-O 3.36Å; F45-V93 HydrophobicContact CZ-CG1 4.42Å; F45-V93 HydrophobicContact CZ-CG2 4.21Å; I62-V93 HydrophobicContact CG2-CG1 3.44Å; I62-V93 VanDerWaalsContact CG2-CG1 3.44Å; G63-V93 CarbonylContact O-C 3.57Å; G63-V93 WeakPolarHBondContact O-CA 3.39Å; L91-V93 HydrophobicContact CD1-CG2 4.36Å; L91-V93 HydrophobicContact CD2-CG2 4.21Å; L91-V93 HydrophobicContact CG-CG2 3.79Å; V93-I95 HydrophobicContact CG1-CG1 4.46Å
94F94.4Very high79.1Confident67 Ų6768.1 Ų68.129%0.29434%0.339SS..EExtended strand (participates in β ladder)trans-121.9130.6178-60.5-94.5000108.8K24 G63 A65 L71 R92K24-F94 HydrophobicContact CB-CD1 4.37Å; K24-F94 HydrophobicContact CD-CD1 4.05Å; K24-F94 HydrophobicContact CD-CE1 4.12Å; G63-F94 PolarHBondContact N-O 2.9Å; G63-F94 PolarHBondContact O-N 2.72Å; A65-F94 HydrophobicContact CB-CE2 3.94Å; L71-F94 HydrophobicContact CD1-CB 4.18Å; L71-F94 HydrophobicContact CD1-CD2 3.53Å; L71-F94 HydrophobicContact CD1-CE2 4.23Å; L71-F94 HydrophobicContact CD1-CG 4.08Å; R92-F94 HydrophobicContact CB-CE2 4.19Å
95I93.8Very high77Confident6 Ų671.3 Ų71.33%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-117.6133.3-179.1-54.2151.7000107.4S23 K24 F25 V49 H53 I55 V60 T61 V93S23-I95 VanDerWaalsContact OG-CD1 3.25Å; S23-I95 WeakPolarHBondContact OG-CD1 3.39Å; K24-I95 PolarHBondContact O-N 3.31Å; F25-I95 HydrophobicContact CB-CB 4.23Å; F25-I95 HydrophobicContact CB-CD1 4.14Å; F25-I95 HydrophobicContact CD2-CB 3.85Å; F25-I95 HydrophobicContact CD2-CG2 3.64Å; F25-I95 HydrophobicContact CE2-CG2 4.16Å; F25-I95 HydrophobicContact CG-CB 4.45Å; F25-I95 HydrophobicContact CG-CG2 4.45Å; V49-I95 HydrophobicContact CG1-CD1 3.37Å; V49-I95 HydrophobicContact CG1-CG1 3.79Å; H53-I95 WeakPolarHBondContact CD2-CD1 3.46Å; H53-I95 VanDerWaalsContact NE2-CD1 3.34Å; H53-I95 WeakPolarHBondContact NE2-CD1 3.22Å; I55-I95 HydrophobicContact CD1-CG2 3.98Å; V60-I95 HydrophobicContact CB-CG2 3.76Å; V60-I95 HydrophobicContact CG1-CG2 3.94Å; V60-I95 HydrophobicContact CG2-CG2 4.03Å; T61-I95 WeakPolarHBondContact O-CA 3.47Å; V93-I95 HydrophobicContact CG1-CG1 4.46Å
96Q89.8Confident74.9Confident90 Ų9075 Ų7542%0.42137%0.374SS..EExtended strand (participates in β ladder)trans-131.2146.7174.4-63.5178.1-0.300108.7V60 T61V60-Q96 CarbonylContact C-O 3.47Å; V60-Q96 VanDerWaalsContact CA-O 3.23Å; V60-Q96 WeakPolarHBondContact CA-O 3.35Å; V60-Q96 WeakPolarHBondContact CB-O 3.46Å; T61-Q96 PolarHBondContact N-O 3.16Å; T61-Q96 PolarHBondContact O-N 2.89Å; T61-Q96 PolarHBondContact OG1-O 2.84Å
97K87.4Confident72.5Confident54 Ų5476.4 Ų76.424%0.23539%0.393CS..EExtended strand (participates in β ladder)trans-73143.4168.7-68.9-172.6163.1-166.50110.2F25 E99 E100 A101F25-K97 HydrophobicContact CE2-CG 4.01Å; F25-K97 HydrophobicContact CZ-CG 4.02Å; K97-E99 VanDerWaalsContact C-N 3.31Å; K97-E99 HydrophobicContact CB-CG 3.97Å; K97-E99 HydrophobicContact CD-CG 4.22Å; K97-E99 WeakPolarHBondContact CD-OE1 3.13Å; K97-E99 IonicContact NZ-OE1 3.1Å; K97-E99 PolarHBondContact NZ-OE1 2.92Å; K97-E99 PolarHBondContact O-N 3.02Å; K97-E100 HydrophobicContact CB-CB 4.44Å; K97-E100 HydrophobicContact CB-CG 4.19Å; K97-E100 PolarHBondContact O-N 2.89Å; K97-A101 PolarHBondContact O-N 2.97Å
98R74.9Confident70.7Confident76 Ų7681.4 Ų81.429%0.28744%0.435SS..Hα-helixtrans-56.7-44.5179.4-171.5175.4-60.2162.111.8112.2D59 E100 A101 E102D59-R98 HydrophobicContact CB-CB 4.05Å; D59-R98 VanDerWaalsContact CB-CZ 3.49Å; D59-R98 WeakPolarHBondContact O-CB 3.42Å; D59-R98 PolarHBondContact O-N 2.85Å; D59-R98 IonicContact OD1-CZ 3.55Å; D59-R98 IonicContact OD1-NH2 3.49Å; D59-R98 PolarHBondContact OD1-NH2 2.69Å; D59-R98 IonicContact OD2-CZ 2.71Å; D59-R98 IonicContact OD2-NE 3.52Å; D59-R98 IonicContact OD2-NH1 2.73Å; D59-R98 PolarHBondContact OD2-NH1 3.07Å; D59-R98 IonicContact OD2-NH2 3.85Å; D59-R98 PolarHBondContact OD2-NH2 3.12Å; D59-R98 VanDerWaalsContact OD2-NH2 3.1Å; R98-E100 PolarHBondContact O-N 3.27Å; R98-A101 PolarHBondContact O-N 2.84Å; R98-A101 VanDerWaalsContact O-N 3.17Å; R98-E102 WeakPolarHBondContact CG-OE1 3.21Å; R98-E102 PolarHBondContact O-N 2.81Å; R98-E102 VanDerWaalsContact O-N 3.15Å
99E66.6Low68.9Low115 Ų11578.5 Ų78.554%0.53743%0.433SS..Hα-helixtrans-58.9-26.3176.663-179.5166.600114.5K97K97-E99 VanDerWaalsContact C-N 3.31Å; K97-E99 HydrophobicContact CB-CG 3.97Å; K97-E99 HydrophobicContact CD-CG 4.22Å; K97-E99 WeakPolarHBondContact CD-OE1 3.13Å; K97-E99 IonicContact NZ-OE1 3.1Å; K97-E99 PolarHBondContact NZ-OE1 2.92Å; K97-E99 PolarHBondContact O-N 3.02Å
100E61.1Low67.4Low118 Ų11878.4 Ų78.455%0.55144%0.435SS*.Hα-helixtrans-90.5-34.8177.5-64.7-176.8147.700111.9K97 R98 R103 G104K97-E100 HydrophobicContact CB-CB 4.44Å; K97-E100 HydrophobicContact CB-CG 4.19Å; K97-E100 PolarHBondContact O-N 2.89Å; R98-E100 PolarHBondContact O-N 3.27Å; E100-R103 PolarHBondContact O-N 2.73Å; E100-G104 PolarHBondContact O-N 3.27Å
101A56.4Low65.5Low24 Ų2484.1 Ų84.120%0.19847%0.465CS..Hα-helixtrans-63.5-43177.900000111.7K97 R98 G104 S105K97-A101 PolarHBondContact O-N 2.97Å; R98-A101 PolarHBondContact O-N 2.84Å; R98-A101 VanDerWaalsContact O-N 3.17Å; A101-G104 PolarHBondContact O-N 3.44Å; A101-G104 VanDerWaalsContact O-N 3.11Å; A101-S105 WeakPolarHBondContact O-CB 3.48Å; A101-S105 PolarHBondContact O-N 2.88Å; A101-S105 VanDerWaalsContact O-N 3.11Å
102E50.8Low63Low92 Ų9289.4 Ų89.443%0.4350%0.5SS..Hα-helixtrans-67.6-36.3179.2-74.7155.8-170.600112.1R98 G104R98-E102 WeakPolarHBondContact CG-OE1 3.21Å; R98-E102 PolarHBondContact O-N 2.81Å; R98-E102 VanDerWaalsContact O-N 3.15Å; E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 2.91Å
103R48.3Very low60.8Low229 Ų22994.4 Ų94.486%0.86452%0.519SS*.Hα-helixtrans-72.9-19.6171-71.9-177.9175-1344.3114.1E100E100-R103 PolarHBondContact O-N 2.73Å
104G46.4Very low58.3Low39 Ų39104 Ų10440%0.40256%0.555SS.*Hα-helixtrans-93.8-21.2-175.100000115.1E100 A101 E102 L106E100-G104 PolarHBondContact O-N 3.27Å; A101-G104 PolarHBondContact O-N 3.44Å; A101-G104 VanDerWaalsContact O-N 3.11Å; E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 2.91Å; G104-L106 PolarHBondContact O-N 3.03Å
105S46.9Very low55.8Low68 Ų68112.4 Ų112.448%0.47659%0.585SS.*  trans-78.446.7-164.4-168.90000115.9A101A101-S105 WeakPolarHBondContact O-CB 3.48Å; A101-S105 PolarHBondContact O-N 2.88Å; A101-S105 VanDerWaalsContact O-N 3.11Å
106L45.4Very low53.5Low157 Ų157124 Ų12482%0.82263%0.628SS**SBendtrans-94.788.9152.3-74.2177.6000109G104 R114G104-L106 PolarHBondContact O-N 3.03Å; L106-R114 PolarHBondContact O-NH2 3.22Å
107G38Very low51Low60 Ų60124.6 Ų124.662%0.61965%0.649SS**SBendtrans117120.3171.400000114.1G109G107-G109 PolarHBondContact O-N 2.79Å
108A51Low48.9Very low113 Ų113130.7 Ų130.793%0.93468%0.683SS**  trans-60.7105.3163.600000109.1S110A108-S110 PolarHBondContact O-N 2.85Å
109G42.3Very low47.2Very low58 Ų58130.7 Ų130.760%0.59871%0.706SS**  trans-87.389.3-16700000114.1G107G107-G109 PolarHBondContact O-N 2.79Å
110S48.1Very low46Very low95 Ų95130.4 Ų130.466%0.66472%0.723SS**  trans-57.5155.8141.7-174.80000109A108 C112A108-S110 PolarHBondContact O-N 2.85Å; S110-C112 PolarHBondContact O-N 2.93Å
111L49.5Very low45.6Very low160 Ų160132.7 Ų132.784%0.83874%0.739SS**SBendtrans-71.353.5-165.9-67.6173000115.3R113L111-R113 PolarHBondContact O-N 2.71Å
112C42Very low45Very low113 Ų113142.9 Ų142.976%0.76477%0.772SS**  trans-89.383.4175.3-82.60000112.6S110 R114S110-C112 PolarHBondContact O-N 2.93Å; C112-R114 PolarHBondContact O-N 2.52Å
113R47.2Very low44.9Very low248 Ų248144.6 Ų144.694%0.93678%0.784SS**  trans977.8145.2-153.2179-163.5-174.44.8116.6L111 R115L111-R113 PolarHBondContact O-N 2.71Å; R113-R115 PolarHBondContact O-N 3.14Å; R113-R115 VanDerWaalsContact O-N 3.12Å
114R44.4Very low44.3Very low203 Ų203141.4 Ų141.477%0.76678%0.779SS**  trans-62.8112.9172.4-90.8-170.2179.2177.54.4111.1L106 C112L106-R114 PolarHBondContact O-NH2 3.22Å; C112-R114 PolarHBondContact O-N 2.52Å
115R40.5Very low44.8Very low243 Ų243143.2 Ų143.292%0.91780%0.798SS**  trans-79.1130.3166.5-162.8177.4-170.3-179.22.2108R113R113-R115 PolarHBondContact O-N 3.14Å; R113-R115 VanDerWaalsContact O-N 3.12Å
116R45.9Very low44.9Very low249 Ų249145.1 Ų145.194%0.9481%0.808SS**  trans-68.7138.5175.8-72.2-179.6175.2172.9-2.9110.3
117A37.3Very low45.3Very low102 Ų102149.5 Ų149.584%0.84381%0.814SS**  trans-125.1139.2160.600000108.4
118L44.6Very low46.1Very low183 Ų183157.7 Ų157.796%0.95883%0.826SS**  trans-93.4145.1175.8-69.8157.9000108.7
119G38.7Very low46.4Very low75 Ų75163.6 Ų163.677%0.77382%0.824SS**  trans173.1121.3169.600000117
120A40.5Very low47.3Very low109 Ų109165.1 Ų165.190%0.90183%0.831SS**  trans75.9146.1155.100000120.8
121L53.7Low48.1Very low167 Ų167167.9 Ų167.987%0.87483%0.833SS**  trans-116.4174.3-177.4-69.1162.6000109.5
122R43.1Very low49.3Very low238 Ų238167.2 Ų167.290%0.89883%0.83SS**  trans71.6153.6174.8-74.3179.9138.2167.9-3.8115.2
123D48.1Very low50.9Low127 Ų127166.9 Ų166.968%0.67982%0.82SS**  cis-164.7-165.6-25.4-158.9-16000105.3
124E37.3Very low52.6Low163 Ų163162.7 Ų162.776%0.76282%0.815SS**  trans77.8108.5175.7-57.3-58.6134.400115.3P126E124-P126 WeakPolarHBondContact O-CD 3.45Å
125G55.8Low54.3Low77 Ų77154.9 Ų154.979%0.79480%0.798SS**  trans-90.4114.2173.600000112.1
126P49.4Very low56.2Low107 Ų107149.4 Ų149.470%0.69579%0.786SS**  trans-82.6144.3169.632.6-32000110.3E124 R128E124-P126 WeakPolarHBondContact O-CD 3.45Å; P126-R128 PolarHBondContact O-N 2.9Å
127R54.3Low57.8Low249 Ų249142 Ų14294%0.9477%0.77SS**  trans-53.2106.4164.4-70.8175.7175160.9-2.3108.1R129R127-R129 VanDerWaalsContact C-N 3.34Å; R127-R129 PolarHBondContact O-N 2.77Å
128R54.4Low59.7Low233 Ų233143 Ų14388%0.87975%0.752SS**  trans-65.593.6178.9-73.9-174.3177.3176.90.3109.3P126 A130P126-R128 PolarHBondContact O-N 2.9Å; R128-A130 PolarHBondContact O-N 3.01Å
129R57.5Low61.3Low237 Ų237136.7 Ų136.789%0.89472%0.719SS**  trans-47.7129.5146.2-85.5-178.3167167.5-4.1105.9R127 H131R127-R129 VanDerWaalsContact C-N 3.34Å; R127-R129 PolarHBondContact O-N 2.77Å; R129-H131 PolarHBondContact O-N 2.78Å
130A60.8Low63.3Low89 Ų89140.9 Ų140.974%0.73672%0.716SS**  trans-56.4108.8175.800000107.4R128 L132R128-A130 PolarHBondContact O-N 3.01Å; A130-L132 PolarHBondContact O-N 3.2Å; A130-L132 VanDerWaalsContact O-N 3.16Å
131H64.8Low65.4Low153 Ų153141.7 Ų141.771%0.70870%0.696SS**  trans-69114.4178.3-168.9-103.8000105.8R129 D133R129-H131 PolarHBondContact O-N 2.78Å; H131-D133 VanDerWaalsContact C-N 3.32Å; H131-D133 IonicContact CE1-OD1 2.87Å; H131-D133 PolarHBondContact CE1-OD1 2.9Å; H131-D133 IonicContact CG-OD1 3.68Å; H131-D133 IonicContact ND1-OD1 3.54Å; H131-D133 PolarHBondContact ND1-OD1 3.35Å; H131-D133 PolarHBondContact O-N 3.18Å
132L75.6Confident67.1Low147 Ų147138 Ų13877%0.7768%0.682SS**  trans-75.594.3177.4-66.4177.4000107A130 I134A130-L132 PolarHBondContact O-N 3.2Å; A130-L132 VanDerWaalsContact O-N 3.16Å; L132-I134 PolarHBondContact O-N 2.95Å
133D75.3Confident69.5Low105 Ų105129.8 Ų129.856%0.56166%0.658SS**  trans-70.181.5178.3-67.4-46.6000109.9H131 G135H131-D133 VanDerWaalsContact C-N 3.32Å; H131-D133 IonicContact CE1-OD1 2.87Å; H131-D133 PolarHBondContact CE1-OD1 2.9Å; H131-D133 IonicContact CG-OD1 3.68Å; H131-D133 IonicContact ND1-OD1 3.54Å; H131-D133 PolarHBondContact ND1-OD1 3.35Å; H131-D133 PolarHBondContact O-N 3.18Å; D133-G135 PolarHBondContact O-N 2.89Å
134I82.4Confident71.7Confident160 Ų160125.7 Ų125.782%0.82164%0.64SS**  trans-69.5102.8173.8-58.7174.5000107.8L132L132-I134 PolarHBondContact O-N 2.95Å
135G79.8Confident74.5Confident40 Ų40120.1 Ų120.141%0.41262%0.619SS.*PPolyproline II helixtrans-63.9158.4-179.900000113.6D133D133-G135 PolarHBondContact O-N 2.89Å
136L81.4Confident76.3Confident128 Ų128119.1 Ų119.167%0.6759%0.594SS**PPolyproline II helixtrans-55.6141.1172.9-64.2174.5000110.8R138L136-R138 WeakPolarHBondContact O-CG 3.39Å
137P78.8Confident78.5Confident92 Ų92115.7 Ų115.760%0.59757%0.57SS**PPolyproline II helixtrans-64.4144.3-177.3-13.325.9000111.3F140P137-F140 HydrophobicContact CB-CE1 4.43Å; P137-F140 HydrophobicContact CB-CE2 3.67Å; P137-F140 HydrophobicContact CB-CZ 3.56Å; P137-F140 HydrophobicContact CG-CE2 4.29Å; P137-F140 HydrophobicContact CG-CZ 3.94Å
138R76.7Confident80.3Confident123 Ų123106.8 Ų106.846%0.46454%0.541SS..  trans-121.6162.9-173.7-56.6-172.9-174.5-177.43.5109.6L136 F140L136-R138 WeakPolarHBondContact O-CG 3.39Å; R138-F140 VanDerWaalsContact C-N 3.28Å; R138-F140 PolarHBondContact O-N 3.2Å
139D79.1Confident81.9Confident52 Ų5299 Ų9928%0.27852%0.519SS..  trans53.240.5174-51.1-21.1000115.1N75 N76 R141N75-D139 WeakPolarHBondContact CB-OD1 3.37Å; N75-D139 PolarHBondContact ND2-N 3.32Å; N75-D139 PolarHBondContact ND2-OD1 3.31Å; N75-D139 PolarHBondContact OD1-OD1 3.03Å; N76-D139 PolarHBondContact ND2-OD1 2.94Å; D139-R141 WeakPolarHBondContact O-CG 3.3Å; D139-R141 PolarHBondContact O-N 2.83Å; D139-R141 VanDerWaalsContact O-N 3.08Å
140F81.3Confident83.5Confident162 Ų16293.4 Ų93.471%0.71151%0.507SS*.  trans-56113.6169.5-77.2-78.9000110.5P137 R138P137-F140 HydrophobicContact CB-CE1 4.43Å; P137-F140 HydrophobicContact CB-CE2 3.67Å; P137-F140 HydrophobicContact CB-CZ 3.56Å; P137-F140 HydrophobicContact CG-CE2 4.29Å; P137-F140 HydrophobicContact CG-CZ 3.94Å; R138-F140 VanDerWaalsContact C-N 3.28Å; R138-F140 PolarHBondContact O-N 3.2Å
141R84.4Confident84.9Confident127 Ų12796 Ų9648%0.47951%0.508SS..  trans-140.8131.1-179.461.1-160.2170.7-145.6-10.5109.9D139 V143D139-R141 WeakPolarHBondContact O-CG 3.3Å; D139-R141 PolarHBondContact O-N 2.83Å; D139-R141 VanDerWaalsContact O-N 3.08Å; R141-V143 PolarHBondContact O-N 2.83Å
142P89Confident86.2Confident89 Ų8989.6 Ų89.658%0.57848%0.479SS*.  trans-69119.7-177.928-33.1000108.8H162 H164P142-H162 WeakPolarHBondContact O-CB 3.44Å; P142-H164 PolarHBondContact O-NE2 3.46Å
143V92.1Very high87Confident66 Ų6686.3 Ų86.340%0.447%0.467SS..  trans-86.2-50.6-176.3-1790000110.9R141 H162 L203 T207R141-V143 PolarHBondContact O-N 2.83Å; V143-H162 PolarHBondContact O-N 3.34Å; V143-L203 HydrophobicContact CG1-CD1 3.44Å; V143-L203 VanDerWaalsContact CG1-CD1 3.44Å; V143-T207 HydrophobicContact CG1-CG2 4.16Å
144S94.8Very high87.7Confident41 Ų4189.9 Ų89.929%0.28748%0.48SS..EExtended strand (participates in β ladder)trans-155159.9-178.259.80000112.7R160 T207S144-R160 CarbonylContact C-O 3.4Å; S144-R160 WeakPolarHBondContact CA-O 3.04Å; S144-R160 WeakPolarHBondContact CB-O 3.41Å; S144-T207 VanDerWaalsContact CB-CG2 3.46Å; S144-T207 WeakPolarHBondContact OG-CG2 3.4Å
145S95.8Very high88.1Confident46 Ų4685.2 Ų85.232%0.32246%0.459SS..EExtended strand (participates in β ladder)trans-152.2143.2171.657.70000111.1R160S145-R160 PolarHBondContact N-O 3.33Å; S145-R160 PolarHBondContact O-N 2.94Å
146I95.4Very high88.8Confident55 Ų5585.4 Ų85.428%0.28245%0.449SS..EExtended strand (participates in β ladder)trans-76134.2160.6-49.6177.6000107.3V149 R157 R158 L209 V256I146-V149 HydrophobicContact CB-CG2 4.4Å; I146-V149 HydrophobicContact CG2-CG2 3.62Å; I146-R157 HydrophobicContact CG2-CG 3.99Å; I146-R158 WeakPolarHBondContact CA-O 3.41Å; I146-L209 HydrophobicContact CD1-CD2 3.87Å; I146-L209 HydrophobicContact CG1-CD1 4.04Å; I146-L209 HydrophobicContact CG1-CD2 3.79Å; I146-V256 HydrophobicContact CD1-CG2 3.75Å
147I94.4Very high89.4Confident36 Ų3679.9 Ų79.919%0.18542%0.42CS..EExtended strand (participates in β ladder)trans-124.2166.5178.266.3173.5000110.2V149 R158 R160 I244I147-V149 PolarHBondContact O-N 3.13Å; I147-R158 HydrophobicContact CD1-CG 3.92Å; I147-R158 HydrophobicContact CG1-CB 3.94Å; I147-R158 HydrophobicContact CG1-CG 3.61Å; I147-R158 PolarHBondContact N-O 3.3Å; I147-R160 HydrophobicContact CG2-CB 4.29Å; I147-I244 HydrophobicContact CD1-CD1 4.22Å; I147-I244 HydrophobicContact CD1-CG1 4.35Å; I147-I244 HydrophobicContact CD1-CG2 3.81Å
148D92.2Very high90.3Very high61 Ų6177.8 Ų77.833%0.32640%0.4SS..  trans54.427.5170.9-55.9-19.6000115.2D150 L151 V152 R158D148-D150 PolarHBondContact O-N 2.88Å; D148-D150 VanDerWaalsContact O-N 3.12Å; D148-L151 HydrophobicContact CB-CB 4.21Å; D148-L151 HydrophobicContact CB-CD1 4.38Å; D148-L151 PolarHBondContact O-N 3.33Å; D148-V152 HydrophobicContact CB-CG1 4.23Å; D148-V152 PolarHBondContact O-N 2.9Å; D148-R158 WeakPolarHBondContact OD2-CD 3.18Å; D148-R158 IonicContact OD2-CZ 3.07Å; D148-R158 IonicContact OD2-NE 2.71Å; D148-R158 IonicContact OD2-NH1 2.69Å; D148-R158 PolarHBondContact OD2-NH1 2.68Å
149V88.6Confident91.2Very high69 Ų6972 Ų7242%0.41838%0.378SS..THydrogen-bonded Turntrans-53.8-34.8-174.8178.40000113.1I146 I147I146-V149 HydrophobicContact CB-CG2 4.4Å; I146-V149 HydrophobicContact CG2-CG2 3.62Å; I147-V149 PolarHBondContact O-N 3.13Å
150D90.1Very high92.1Very high121 Ų12173.5 Ų73.565%0.64738%0.38SS*.THydrogen-bonded Turntrans-96.84.4-178.5-51.2-71.5000112.8D148 R258D148-D150 PolarHBondContact O-N 2.88Å; D148-D150 VanDerWaalsContact O-N 3.12Å; D150-R258 IonicContact OD1-CZ 3.56Å; D150-R258 VanDerWaalsContact OD1-CZ 3.23Å; D150-R258 IonicContact OD1-NH1 3.23Å; D150-R258 PolarHBondContact OD1-NH1 2.76Å; D150-R258 IonicContact OD1-NH2 2.72Å; D150-R258 PolarHBondContact OD1-NH2 3.12Å; D150-R258 IonicContact OD2-NH2 3.54Å; D150-R258 PolarHBondContact OD2-NH2 3.26Å; D150-R258 VanDerWaalsContact OD2-NH2 3.07Å
151L91.5Very high92.8Very high144 Ų14465.8 Ų65.875%0.75435%0.346SS*.THydrogen-bonded Turntrans-116.7-34179.8-61.6176.8000113.1D148D148-L151 HydrophobicContact CB-CB 4.21Å; D148-L151 HydrophobicContact CB-CD1 4.38Å; D148-L151 PolarHBondContact O-N 3.33Å
152V91.9Very high93.2Very high17 Ų1761.2 Ų61.210%0.10333%0.33CS..SBendtrans-82.8148.4171.1-56.40000110D148 H156 R158D148-V152 HydrophobicContact CB-CG1 4.23Å; D148-V152 PolarHBondContact O-N 2.9Å; V152-H156 HydrophobicContact CB-CB 4.36Å; V152-H156 HydrophobicContact CG2-CB 4.35Å; V152-R158 HydrophobicContact CG1-CB 4.22Å
153P92.9Very high93.3Very high79 Ų7959 Ų5951%0.51331%0.31SS..  trans-60.5148.1176.1-19.929.9000111.6T155 H156P153-T155 PolarHBondContact O-N 2.99Å; P153-H156 WeakPolarHBondContact CB-ND1 3.21Å; P153-H156 WeakPolarHBondContact CG-ND1 3.26Å; P153-H156 WeakPolarHBondContact O-CA 3.34Å; P153-H156 WeakPolarHBondContact O-CB 3.19Å; P153-H156 PolarHBondContact O-N 3.49Å
154E89.1Confident93Very high179 Ų17958.4 Ų58.484%0.83630%0.303SS*.THydrogen-bonded Turntrans-57-23.5-174.8-58.8-176.9162.900114.8H156 N255E154-H156 PolarHBondContact O-N 2.72Å; E154-N255 PolarHBondContact O-ND2 2.77Å
155T90.9Very high91.9Very high62 Ų6258.9 Ų58.938%0.3831%0.314SS..THydrogen-bonded Turntrans-74-4.4173.958.70000113.7P153 P249P153-T155 PolarHBondContact O-N 2.99Å; T155-P249 WeakPolarHBondContact O-CD 3.38Å
156H93.4Very high90Very high44 Ų4461.3 Ų61.320%0.20433%0.33CS..  trans-120.7159.6-175.8-56.5115.5000111.4V152 P153 E154 L217 T246 V247V152-H156 HydrophobicContact CB-CB 4.36Å; V152-H156 HydrophobicContact CG2-CB 4.35Å; P153-H156 WeakPolarHBondContact CB-ND1 3.21Å; P153-H156 WeakPolarHBondContact CG-ND1 3.26Å; P153-H156 WeakPolarHBondContact O-CA 3.34Å; P153-H156 WeakPolarHBondContact O-CB 3.19Å; P153-H156 PolarHBondContact O-N 3.49Å; E154-H156 PolarHBondContact O-N 2.72Å; H156-L217 WeakPolarHBondContact CD2-CD1 3.41Å; H156-L217 WeakPolarHBondContact NE2-CD1 3.33Å; H156-T246 HydrophobicContact CB-CG2 4.36Å; H156-V247 CarbonylContact C-O 3.49Å; H156-V247 VanDerWaalsContact CA-O 3.27Å; H156-V247 WeakPolarHBondContact CA-O 3.43Å
157R94.8Very high88.6Confident12 Ų1267.1 Ų67.15%0.04536%0.356CS..EExtended strand (participates in β ladder)trans-139.5121.4176.4-173.2-169.2-58-167-3.7108.8I146 V159 L209 T246 V247 P249 N254 N255I146-R157 HydrophobicContact CG2-CG 3.99Å; R157-V159 VanDerWaalsContact CD-CG2 3.49Å; R157-V159 HydrophobicContact CG-CG2 3.69Å; R157-L209 WeakPolarHBondContact CD-O 3.34Å; R157-L209 PolarHBondContact NH1-O 3.22Å; R157-T246 WeakPolarHBondContact O-CA 3.39Å; R157-V247 HydrophobicContact CB-CG2 4.18Å; R157-V247 PolarHBondContact N-O 3.05Å; R157-V247 PolarHBondContact O-N 3.06Å; R157-P249 HydrophobicContact CB-CG 4.14Å; R157-N254 PolarHBondContact NH2-O 3.08Å; R157-N255 VanDerWaalsContact NH2-CA 3.28Å; R157-N255 PolarHBondContact NH2-OD1 3.08Å
158R96.8Very high88Confident49 Ų4973.2 Ų73.219%0.18538%0.381CS..EExtended strand (participates in β ladder)trans-94.2113.1170.1-166.3173.9-78.1164.6-4.2109.1I146 I147 D148 V152 E218 I244 V245 T246I146-R158 WeakPolarHBondContact CA-O 3.41Å; I147-R158 HydrophobicContact CD1-CG 3.92Å; I147-R158 HydrophobicContact CG1-CB 3.94Å; I147-R158 HydrophobicContact CG1-CG 3.61Å; I147-R158 PolarHBondContact N-O 3.3Å; D148-R158 WeakPolarHBondContact OD2-CD 3.18Å; D148-R158 IonicContact OD2-CZ 3.07Å; D148-R158 IonicContact OD2-NE 2.71Å; D148-R158 IonicContact OD2-NH1 2.69Å; D148-R158 PolarHBondContact OD2-NH1 2.68Å; V152-R158 HydrophobicContact CG1-CB 4.22Å; R158-E218 IonicContact CZ-OE2 2.85Å; R158-E218 IonicContact NE-OE2 3.51Å; R158-E218 IonicContact NH2-OE1 2.73Å; R158-E218 IonicContact NH2-OE2 3.22Å; R158-E218 PolarHBondContact NH2-OE2 3.23Å; R158-I244 HydrophobicContact CG-CG2 3.7Å; R158-V245 WeakPolarHBondContact CA-O 3.46Å; R158-T246 WeakPolarHBondContact CG-OG1 3.46Å; R158-T246 PolarHBondContact NE-OG1 3.35Å
159V96.9Very high87.8Confident0 Ų073 Ų730%038%0.383CS..EExtended strand (participates in β ladder)trans-108.5129.6-176.4-179.10000108.9R157 L161 L209 L210 I244 V245R157-V159 VanDerWaalsContact CD-CG2 3.49Å; R157-V159 HydrophobicContact CG-CG2 3.69Å; V159-L161 HydrophobicContact CG1-CD2 3.85Å; V159-L161 HydrophobicContact CG1-CG 4.17Å; V159-L209 HydrophobicContact CG1-CB 3.84Å; V159-L209 HydrophobicContact CG1-CD1 3.83Å; V159-L209 HydrophobicContact CG2-CB 4.02Å; V159-L210 HydrophobicContact CB-CD2 4.3Å; V159-L210 HydrophobicContact CG2-CD2 3.98Å; V159-I244 CarbonylContact O-C 3.58Å; V159-I244 WeakPolarHBondContact O-CA 3.41Å; V159-V245 HydrophobicContact CB-CG1 4.14Å; V159-V245 PolarHBondContact N-O 2.78Å; V159-V245 PolarHBondContact O-N 3.48Å
160R97.4Very high88Confident85 Ų8569.7 Ų69.732%0.32136%0.363SS..EExtended strand (participates in β ladder)trans-102.8127.5169.4-171.7173.2-168.1170.98.8109.6S144 S145 I147 H162 N242 L243 I244S144-R160 CarbonylContact C-O 3.4Å; S144-R160 WeakPolarHBondContact CA-O 3.04Å; S144-R160 WeakPolarHBondContact CB-O 3.41Å; S145-R160 PolarHBondContact N-O 3.33Å; S145-R160 PolarHBondContact O-N 2.94Å; I147-R160 HydrophobicContact CG2-CB 4.29Å; R160-H162 PolarHBondContact NE-NE2 3.41Å; R160-N242 VanDerWaalsContact CZ-OD1 3.3Å; R160-N242 PolarHBondContact NE-OD1 3.14Å; R160-N242 PolarHBondContact NH2-ND2 3.03Å; R160-N242 VanDerWaalsContact NH2-ND2 3.13Å; R160-N242 PolarHBondContact NH2-OD1 2.82Å; R160-L243 CarbonylContact C-O 3.58Å; R160-L243 VanDerWaalsContact CA-O 3.3Å; R160-L243 WeakPolarHBondContact CA-O 3.5Å; R160-I244 HydrophobicContact CB-CG1 4.21Å; R160-I244 HydrophobicContact CG-CG1 3.85Å
161L95.9Very high88.2Confident0 Ų064 Ų640%033%0.332CS..EExtended strand (participates in β ladder)trans-116.4133.2175.4-60-178.4000109.8V159 F172 L203 A204 T207 L210 L243V159-L161 HydrophobicContact CG1-CD2 3.85Å; V159-L161 HydrophobicContact CG1-CG 4.17Å; L161-F172 HydrophobicContact CD1-CE1 4.34Å; L161-L203 HydrophobicContact CB-CD2 4.48Å; L161-A204 HydrophobicContact CD1-CB 4.36Å; L161-T207 HydrophobicContact CD2-CG2 3.92Å; L161-L210 HydrophobicContact CD1-CD1 4Å; L161-L243 HydrophobicContact CB-CB 4.49Å; L161-L243 PolarHBondContact N-O 2.79Å; L161-L243 PolarHBondContact O-N 3.46Å
162H93.3Very high88.5Confident30 Ų3057.1 Ų57.114%0.13930%0.296CS..EExtended strand (participates in β ladder)trans-112.2115.6173.7-61.888.8000109.1P142 V143 R160 H164 N242P142-H162 WeakPolarHBondContact O-CB 3.44Å; V143-H162 PolarHBondContact O-N 3.34Å; R160-H162 PolarHBondContact NE-NE2 3.41Å; H162-H164 WeakPolarHBondContact CB-NE2 3.35Å; H162-H164 PolarHBondContact O-CD2 3.13Å; H162-H164 VanDerWaalsContact O-CD2 3.27Å; H162-H164 PolarHBondContact O-N 3.45Å; H162-N242 PolarHBondContact CD2-ND2 3.38Å; H162-N242 PolarHBondContact NE2-ND2 2.99Å
163R91.3Very high88.7Confident42 Ų4257.2 Ų57.216%0.15830%0.295CS..  trans-88.5105.9179.8177.5-168.7-179.4-138.9-9.4109.6C166 K168 L170 L203 S240 H241R163-C166 PolarHBondContact NH2-O 3.39Å; R163-K168 PolarHBondContact NE-O 3.22Å; R163-K168 PolarHBondContact NH2-O 2.79Å; R163-L170 HydrophobicContact CB-CD2 4.45Å; R163-L203 HydrophobicContact CB-CD2 4.23Å; R163-S240 WeakPolarHBondContact CB-O 3.2Å; R163-S240 WeakPolarHBondContact CD-O 3.46Å; R163-S240 PolarHBondContact NH1-OG 2.89Å; R163-H241 PolarHBondContact N-O 3.19Å
164H84.9Confident89Confident55 Ų5554 Ų5426%0.25527%0.273SS..  trans-92.1127.7179-63.2-70.7000111.3P142 H162P142-H164 PolarHBondContact O-NE2 3.46Å; H162-H164 WeakPolarHBondContact CB-NE2 3.35Å; H162-H164 PolarHBondContact O-CD2 3.13Å; H162-H164 VanDerWaalsContact O-CD2 3.27Å; H162-H164 PolarHBondContact O-N 3.45Å
165G72.5Confident89.4Confident50 Ų5049.7 Ų49.752%0.51525%0.25SC..SBendtrans86.1149.9-174.800000113.5E167G165-E167 PolarHBondContact O-N 3.1Å
166C56Low89.7Confident98 Ų9851.1 Ų51.166%0.66226%0.255SS*.SBendtrans-73.5-23.5-160.5-39.40000115.3R163R163-C166 PolarHBondContact NH2-O 3.39Å
167E66.6Low89.7Confident177 Ų17750.3 Ų50.383%0.82726%0.258SS*.SBendtrans-123.2-14.8-160.1-63.6-174.7179.100115.4G165G165-E167 PolarHBondContact O-N 3.1Å
168K80.6Confident89.6Confident163 Ų16352.8 Ų52.871%0.70928%0.281SS*.  trans-75.2129.5-179.3-70.5-169.7175.3-171.30111.2R163R163-K168 PolarHBondContact NE-O 3.22Å; R163-K168 PolarHBondContact NH2-O 2.79Å
169P89.3Confident89.4Confident56 Ų5650.7 Ų50.736%0.36427%0.274SS..  trans-61166.417519.9-29.9000113G171 L376P169-G171 PolarHBondContact O-N 3.09Å; P169-L376 WeakPolarHBondContact CB-O 3.44Å; P169-L376 WeakPolarHBondContact CB-OXT 3.32Å
170L92.8Very high89.1Confident1 Ų154.7 Ų54.71%0.00530%0.298CS..  trans-65.5-23.3171.9-72.3170000112.2R163 F172 L203 A204 L243 L376R163-L170 HydrophobicContact CB-CD2 4.45Å; L170-F172 HydrophobicContact CB-CD1 3.99Å; L170-F172 HydrophobicContact CB-CE1 3.78Å; L170-F172 HydrophobicContact CD1-CE1 4.15Å; L170-L203 HydrophobicContact CD2-CD2 4.17Å; L170-L203 WeakPolarHBondContact O-CB 3.23Å; L170-A204 WeakPolarHBondContact O-CB 3.37Å; L170-A204 PolarHBondContact O-N 3.24Å; L170-L243 HydrophobicContact CD1-CD2 3.71Å; L170-L243 HydrophobicContact CD2-CD2 4.48Å; L170-L376 PolarHBondContact N-OXT 3.28Å
171G94.1Very high88.7Confident0 Ų055.2 Ų55.20%030%0.3CS..SBendtrans8326168.900000114.4P169 V199P169-G171 PolarHBondContact O-N 3.09Å; G171-V199 PolarHBondContact O-N 2.83Å
172F96.8Very high88.3Confident1 Ų161.1 Ų61.10%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-145.4162.216871.3-81.6000109.3L161 L170 I174 I195 R197 M198 A204 L210 M236 L243L161-F172 HydrophobicContact CD1-CE1 4.34Å; L170-F172 HydrophobicContact CB-CD1 3.99Å; L170-F172 HydrophobicContact CB-CE1 3.78Å; L170-F172 HydrophobicContact CD1-CE1 4.15Å; F172-I174 HydrophobicContact CD2-CG2 4.31Å; F172-I174 HydrophobicContact CE2-CG2 4Å; F172-I195 HydrophobicContact CB-CG2 4.32Å; F172-I195 HydrophobicContact CD2-CD1 4.06Å; F172-I195 HydrophobicContact CD2-CG1 4.12Å; F172-I195 HydrophobicContact CD2-CG2 4.34Å; F172-I195 HydrophobicContact CE2-CD1 4.44Å; F172-R197 CarbonylContact C-O 3.58Å; F172-R197 WeakPolarHBondContact CA-O 3.5Å; F172-M198 HydrophobicContact CB-CE 4.15Å; F172-M198 HydrophobicContact CB-SD 3.78Å; F172-A204 HydrophobicContact CB-CB 4Å; F172-A204 HydrophobicContact CD1-CB 3.51Å; F172-A204 HydrophobicContact CE1-CB 4.36Å; F172-A204 HydrophobicContact CG-CB 4.11Å; F172-L210 HydrophobicContact CD1-CD1 4.42Å; F172-L210 HydrophobicContact CE1-CD1 4.28Å; F172-M236 HydrophobicContact CE2-CE 4.34Å; F172-M236 HydrophobicContact CE2-SD 3.93Å; F172-M236 HydrophobicContact CZ-CE 4.47Å; F172-M236 HydrophobicContact CZ-SD 3.85Å; F172-L243 HydrophobicContact CE1-CD2 4.27Å; F172-L243 HydrophobicContact CZ-CD2 4.1Å
173Y97.3Very high88Confident18 Ų1861.2 Ų61.27%0.07134%0.339CS..EExtended strand (participates in β ladder)trans-125.4151.1-176.1-69.9-115.5000108.8I195 S196 R197 V199 V374 T375Y173-I195 CarbonylContact O-C 3.6Å; Y173-I195 VanDerWaalsContact O-CA 3.29Å; Y173-I195 WeakPolarHBondContact O-CA 3.37Å; Y173-S196 WeakPolarHBondContact CB-OG 3.48Å; Y173-S196 PolarHBondContact O-N 3.18Å; Y173-S196 PolarHBondContact O-OG 2.81Å; Y173-R197 HydrophobicContact CD1-CG 4.24Å; Y173-R197 HydrophobicContact CD2-CG 3.48Å; Y173-R197 VanDerWaalsContact CD2-CG 3.48Å; Y173-R197 HydrophobicContact CE2-CG 4.29Å; Y173-R197 HydrophobicContact CG-CG 3.49Å; Y173-R197 VanDerWaalsContact CG-CG 3.49Å; Y173-R197 PolarHBondContact N-O 3.35Å; Y173-R197 PolarHBondContact OH-NH2 2.86Å; Y173-V199 HydrophobicContact CD2-CG2 4.33Å; Y173-V199 HydrophobicContact CE2-CG2 3.58Å; Y173-V374 WeakPolarHBondContact CD1-O 3.43Å; Y173-V374 WeakPolarHBondContact CE1-O 3.45Å; Y173-T375 VanDerWaalsContact CE1-CA 3.42Å; Y173-T375 HydrophobicContact CE1-CG2 4.33Å; Y173-T375 WeakPolarHBondContact CE1-OG1 3.33Å; Y173-T375 WeakPolarHBondContact OH-CG2 3.39Å; Y173-T375 PolarHBondContact OH-OG1 2.85Å; Y173-T375 VanDerWaalsContact OH-OG1 3.13Å
174I97.9Very high87.9Confident11 Ų1165.4 Ų65.46%0.05637%0.372CS..EExtended strand (participates in β ladder)trans-112.3163.5174.455.8174.9000111.3F172 I193 F194 S196 V216 L229 V232 M236 L376F172-I174 HydrophobicContact CD2-CG2 4.31Å; F172-I174 HydrophobicContact CE2-CG2 4Å; I174-I193 HydrophobicContact CB-CG2 3.83Å; I174-I193 HydrophobicContact CD1-CG2 3.99Å; I174-I193 HydrophobicContact CG1-CG2 4.43Å; I174-I193 HydrophobicContact CG2-CG2 4.1Å; I174-F194 CarbonylContact C-O 3.59Å; I174-F194 VanDerWaalsContact CA-O 3.24Å; I174-F194 WeakPolarHBondContact CA-O 3.34Å; I174-S196 PolarHBondContact O-OG 2.87Å; I174-V216 HydrophobicContact CG2-CG2 4.39Å; I174-L229 HydrophobicContact CB-CD1 4.26Å; I174-L229 HydrophobicContact CD1-CD1 3.87Å; I174-L229 HydrophobicContact CG1-CD1 3.79Å; I174-V232 HydrophobicContact CD1-CB 4.36Å; I174-V232 HydrophobicContact CD1-CG1 3.94Å; I174-M236 HydrophobicContact CD1-CE 4.43Å; I174-M236 HydrophobicContact CD1-SD 4.2Å; I174-M236 HydrophobicContact CG2-CE 4.2Å; I174-M236 HydrophobicContact CG2-SD 4.33Å; I174-L376 HydrophobicContact CD1-CD1 4.25Å; I174-L376 HydrophobicContact CG1-CD1 3.96Å
175R97.6Very high87.9Confident90 Ų9070.6 Ų70.634%0.3440%0.396SS..EExtended strand (participates in β ladder)trans-149.2159.8172.963.2177.9174.975.7-1.2110F194 N213R175-F194 HydrophobicContact CG-CB 4.23Å; R175-F194 PolarHBondContact N-O 3.03Å; R175-F194 PolarHBondContact O-N 3.17Å; R175-N213 PolarHBondContact NH2-OD1 2.87Å
176D96.8Very high88.9Confident91 Ų9169.8 Ų69.849%0.48739%0.388SS..EExtended strand (participates in β ladder)trans-67.9159162.8-66-56.1000111.9I193D176-I193 WeakPolarHBondContact OD1-CD1 2.95Å
177G94.6Very high90.6Very high27 Ų2771.7 Ų71.728%0.27839%0.39SS..EExtended strand (participates in β ladder)trans-171.3-176.8172.400000111.2G192G177-G192 PolarHBondContact N-O 3.15Å; G177-G192 PolarHBondContact O-N 3.11Å
178A93.2Very high91.9Very high64 Ų6467.1 Ų67.153%0.52937%0.369SS..EExtended strand (participates in β ladder)trans-110.1122.117400000110.1K189 V190A178-K189 HydrophobicContact CB-CB 4.41Å; A178-V190 CarbonylContact C-O 3.12Å; A178-V190 WeakPolarHBondContact CA-O 3.38Å
179S91.4Very high92.5Very high5 Ų567.6 Ų67.64%0.03537%0.371CS..EExtended strand (participates in β ladder)trans-92.9134.8166.7-170.90000109V190 E215S179-V190 PolarHBondContact N-O 3.12Å; S179-V190 WeakPolarHBondContact O-CG2 3.2Å; S179-V190 PolarHBondContact O-N 2.84Å; S179-E215 VanDerWaalsContact CB-OE1 3.29Å; S179-E215 WeakPolarHBondContact CB-OE1 3.47Å; S179-E215 PolarHBondContact OG-OE1 3.01Å; S179-E215 PolarHBondContact OG-OE2 2.87Å
180V90.6Very high92.6Very high84 Ų8466.7 Ų66.751%0.50937%0.365SS..EExtended strand (participates in β ladder)trans-87.6120.3171.4-179.50000107.8L187 E188 K189V180-L187 HydrophobicContact CG1-CD2 3.97Å; V180-E188 WeakPolarHBondContact CA-O 3.17Å; V180-K189 HydrophobicContact CG2-CG 4.18Å
181R88.8Confident92.7Very high96 Ų9672 Ų7236%0.36240%0.399SS..EExtended strand (participates in β ladder)trans-125.7151.1179-64.6-166.3-178.2-170.8-0.1111.1E188 V190 E215R181-E188 PolarHBondContact N-O 3.43Å; R181-E188 PolarHBondContact O-N 3.45Å; R181-V190 HydrophobicContact CB-CG2 4.33Å; R181-V190 HydrophobicContact CG-CG2 3.83Å; R181-E215 IonicContact CZ-OE1 3.01Å; R181-E215 IonicContact NE-OE1 3.1Å; R181-E215 IonicContact NH2-OE1 3.9Å; R181-E215 PolarHBondContact NH2-OE1 3.44Å
182V88.6Confident92.8Very high124 Ų12472.4 Ų72.475%0.75240%0.403SS*.EExtended strand (participates in β ladder)trans-83.2112.3167.1-178.10000107G186 L187V182-G186 WeakPolarHBondContact CA-O 3.36Å; V182-L187 HydrophobicContact CG2-CD2 3.78Å
183T86.4Confident92.8Very high32 Ų3272.5 Ų72.520%0.19640%0.404CS..EExtended strand (participates in β ladder)trans-106.5168.9172.772.70000109.1H185 G186 E188T183-H185 PolarHBondContact O-N 3.1Å; T183-H185 PolarHBondContact OG1-N 3.31Å; T183-G186 PolarHBondContact N-O 3.11Å; T183-G186 PolarHBondContact O-N 2.75Å; T183-G186 PolarHBondContact OG1-O 3.03Å; T183-E188 VanDerWaalsContact CB-OE2 3.31Å; T183-E188 WeakPolarHBondContact CB-OE2 3.23Å; T183-E188 HydrophobicContact CG2-CB 4.09Å; T183-E188 HydrophobicContact CG2-CG 4.46Å; T183-E188 VanDerWaalsContact CG2-OE2 3.23Å; T183-E188 WeakPolarHBondContact CG2-OE2 3.47Å; T183-E188 PolarHBondContact OG1-OE2 2.73Å
184P88.3Confident92.9Very high131 Ų13172.8 Ų72.885%0.85141%0.405SS*.THydrogen-bonded Turntrans-59.7-9.6173.7-24.936.1000114.8
185H86.4Confident92.9Very high163 Ų16372.3 Ų72.376%0.75540%0.403SS*.THydrogen-bonded Turntrans-105.5-4.1179-57.5-27.5000113.2T183T183-H185 PolarHBondContact O-N 3.1Å; T183-H185 PolarHBondContact OG1-N 3.31Å
186G91.9Very high92.9Very high34 Ų3469.6 Ų69.635%0.35140%0.398SS..EExtended strand (participates in β ladder)trans133.3-147.417400000113.1V182 T183V182-G186 WeakPolarHBondContact CA-O 3.36Å; T183-G186 PolarHBondContact N-O 3.11Å; T183-G186 PolarHBondContact O-N 2.75Å; T183-G186 PolarHBondContact OG1-O 3.03Å
187L93.2Very high92.8Very high137 Ų13771 Ų7172%0.71740%0.396SS*.EExtended strand (participates in β ladder)trans-90.5108.7171.7-79.3163.5000109.2V180 V182V180-L187 HydrophobicContact CG1-CD2 3.97Å; V182-L187 HydrophobicContact CG2-CD2 3.78Å
188E93.3Very high92.9Very high82 Ų8271.2 Ų71.238%0.38339%0.39SS..EExtended strand (participates in β ladder)trans-116.4145.2-177.2-67.7-178.4143.600111.4V180 R181 T183V180-E188 WeakPolarHBondContact CA-O 3.17Å; R181-E188 PolarHBondContact N-O 3.43Å; R181-E188 PolarHBondContact O-N 3.45Å; T183-E188 VanDerWaalsContact CB-OE2 3.31Å; T183-E188 WeakPolarHBondContact CB-OE2 3.23Å; T183-E188 HydrophobicContact CG2-CB 4.09Å; T183-E188 HydrophobicContact CG2-CG 4.46Å; T183-E188 VanDerWaalsContact CG2-OE2 3.23Å; T183-E188 WeakPolarHBondContact CG2-OE2 3.47Å; T183-E188 PolarHBondContact OG1-OE2 2.73Å
189K92.7Very high93Very high173 Ų17370.1 Ų70.175%0.75238%0.377SS*.EExtended strand (participates in β ladder)trans-87.6105.4170.1-72.7-178.6179.8-178.20108.2A178 V180A178-K189 HydrophobicContact CB-CB 4.41Å; V180-K189 HydrophobicContact CG2-CG 4.18Å
190V92.8Very high93.1Very high37 Ų3775.2 Ų75.222%0.22441%0.41CS..EExtended strand (participates in β ladder)trans-99.1148.7175.9-60.20000110.6A178 S179 R181A178-V190 CarbonylContact C-O 3.12Å; A178-V190 WeakPolarHBondContact CA-O 3.38Å; S179-V190 PolarHBondContact N-O 3.12Å; S179-V190 WeakPolarHBondContact O-CG2 3.2Å; S179-V190 PolarHBondContact O-N 2.84Å; R181-V190 HydrophobicContact CB-CG2 4.33Å; R181-V190 HydrophobicContact CG-CG2 3.83Å
191P94.3Very high93.1Very high112 Ų11274.1 Ų74.173%0.72742%0.416SS*.EExtended strand (participates in β ladder)trans-57.1139.2168.5-22.934.1000111.1
192G95.9Very high93.3Very high8 Ų870 Ų708%0.08240%0.404CS..EExtended strand (participates in β ladder)trans-149.6155.8177.600000111.5G177 F194G177-G192 PolarHBondContact N-O 3.15Å; G177-G192 PolarHBondContact O-N 3.11Å; G192-F194 WeakPolarHBondContact O-CD2 3.3Å; G192-F194 WeakPolarHBondContact O-CE2 3.27Å
193I98Very high93.5Very high4 Ų465.8 Ų65.82%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-100.8133.2-179.8-54.7-58.4000108.7I174 D176 E215 V216 V224 L229 V232I174-I193 HydrophobicContact CB-CG2 3.83Å; I174-I193 HydrophobicContact CD1-CG2 3.99Å; I174-I193 HydrophobicContact CG1-CG2 4.43Å; I174-I193 HydrophobicContact CG2-CG2 4.1Å; D176-I193 WeakPolarHBondContact OD1-CD1 2.95Å; I193-E215 CarbonylContact O-C 3.52Å; I193-E215 WeakPolarHBondContact O-CA 3.2Å; I193-V216 HydrophobicContact CB-CB 4.24Å; I193-V216 HydrophobicContact CG2-CB 4.22Å; I193-V216 HydrophobicContact CG2-CG2 4.4Å; I193-V216 PolarHBondContact O-N 2.76Å; I193-V224 HydrophobicContact CB-CG2 4.41Å; I193-V224 HydrophobicContact CG1-CG2 4.16Å; I193-L229 HydrophobicContact CD1-CD1 3.97Å; I193-L229 HydrophobicContact CG2-CD1 4.32Å; I193-V232 HydrophobicContact CG1-CG2 4.23Å; I193-V232 HydrophobicContact CG2-CG1 4.34Å
194F98Very high93.9Very high24 Ų2464.2 Ų64.211%0.10537%0.367CS..EExtended strand (participates in β ladder)trans-130.1146.7-175.6-63.2-94000111.1I174 R175 G192 S196 D214 E215I174-F194 CarbonylContact C-O 3.59Å; I174-F194 VanDerWaalsContact CA-O 3.24Å; I174-F194 WeakPolarHBondContact CA-O 3.34Å; R175-F194 HydrophobicContact CG-CB 4.23Å; R175-F194 PolarHBondContact N-O 3.03Å; R175-F194 PolarHBondContact O-N 3.17Å; G192-F194 WeakPolarHBondContact O-CD2 3.3Å; G192-F194 WeakPolarHBondContact O-CE2 3.27Å; F194-S196 PolarHBondContact O-N 3.06Å; F194-D214 WeakPolarHBondContact CA-O 3.31Å; F194-E215 HydrophobicContact CD1-CB 3.89Å; F194-E215 HydrophobicContact CD1-CG 4.34Å; F194-E215 HydrophobicContact CE1-CB 3.64Å; F194-E215 HydrophobicContact CE1-CG 3.84Å; F194-E215 HydrophobicContact CZ-CB 4.36Å; F194-E215 HydrophobicContact CZ-CG 4.04Å
195I97.8Very high94.1Very high1 Ų161.9 Ų61.91%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-68.1120.9169.7-59.8-173.9000109F172 Y173 M198 L210 A211 N213 D214 V216F172-I195 HydrophobicContact CB-CG2 4.32Å; F172-I195 HydrophobicContact CD2-CD1 4.06Å; F172-I195 HydrophobicContact CD2-CG1 4.12Å; F172-I195 HydrophobicContact CD2-CG2 4.34Å; F172-I195 HydrophobicContact CE2-CD1 4.44Å; Y173-I195 CarbonylContact O-C 3.6Å; Y173-I195 VanDerWaalsContact O-CA 3.29Å; Y173-I195 WeakPolarHBondContact O-CA 3.37Å; I195-M198 HydrophobicContact CG2-SD 3.77Å; I195-L210 HydrophobicContact CD1-CB 3.92Å; I195-L210 HydrophobicContact CD1-CD1 4.32Å; I195-L210 HydrophobicContact CD1-CD2 4.3Å; I195-L210 HydrophobicContact CD1-CG 4.41Å; I195-A211 WeakPolarHBondContact CB-O 3.34Å; I195-N213 PolarHBondContact O-N 3.38Å; I195-D214 HydrophobicContact CD1-CB 4.15Å; I195-D214 HydrophobicContact CG1-CB 4.38Å; I195-D214 PolarHBondContact N-O 3.36Å; I195-V216 HydrophobicContact CG1-CG2 4.31Å
196S97.4Very high94.4Very high33 Ų3358.2 Ų58.223%0.23134%0.337CS..EExtended strand (participates in β ladder)trans-93.1-39.1-174.5590000113.6Y173 I174 F194 V212Y173-S196 WeakPolarHBondContact CB-OG 3.48Å; Y173-S196 PolarHBondContact O-N 3.18Å; Y173-S196 PolarHBondContact O-OG 2.81Å; I174-S196 PolarHBondContact O-OG 2.87Å; F194-S196 PolarHBondContact O-N 3.06Å; S196-V212 WeakPolarHBondContact O-CG1 3.25Å
197R96.4Very high94.4Very high120 Ų12057.9 Ų57.945%0.45333%0.328SS..EExtended strand (participates in β ladder)trans-155.1155.7176.163.3175-165-174.59.4111.6F172 Y173F172-R197 CarbonylContact C-O 3.58Å; F172-R197 WeakPolarHBondContact CA-O 3.5Å; Y173-R197 HydrophobicContact CD1-CG 4.24Å; Y173-R197 HydrophobicContact CD2-CG 3.48Å; Y173-R197 VanDerWaalsContact CD2-CG 3.48Å; Y173-R197 HydrophobicContact CE2-CG 4.29Å; Y173-R197 HydrophobicContact CG-CG 3.49Å; Y173-R197 VanDerWaalsContact CG-CG 3.49Å; Y173-R197 PolarHBondContact N-O 3.35Å; Y173-R197 PolarHBondContact OH-NH2 2.86Å
198M95.8Very high94.4Very high31 Ų3153.4 Ų53.415%0.15332%0.315CS..EExtended strand (participates in β ladder)trans-100.8154.8169.6-54.4-57.1-76.200109.9F172 I195 A204 E205 L210 V212F172-M198 HydrophobicContact CB-CE 4.15Å; F172-M198 HydrophobicContact CB-SD 3.78Å; I195-M198 HydrophobicContact CG2-SD 3.77Å; M198-A204 HydrophobicContact CE-CB 3.69Å; M198-E205 HydrophobicContact CB-CB 4.25Å; M198-E205 HydrophobicContact CB-CG 4.33Å; M198-E205 HydrophobicContact CE-CB 4.15Å; M198-L210 HydrophobicContact CE-CB 4.3Å; M198-V212 HydrophobicContact CG-CG2 3.8Å
199V95.3Very high94.5Very high41 Ų4150.7 Ų50.725%0.24830%0.303CS..PPolyproline II helixtrans-91.9124.7168.4177.30000108.8G171 Y173 G201 G202 E205G171-V199 PolarHBondContact O-N 2.83Å; Y173-V199 HydrophobicContact CD2-CG2 4.33Å; Y173-V199 HydrophobicContact CE2-CG2 3.58Å; V199-G201 PolarHBondContact O-N 3.42Å; V199-G202 WeakPolarHBondContact O-CA 3.38Å; V199-G202 PolarHBondContact O-N 2.84Å; V199-E205 WeakPolarHBondContact O-CB 3.37Å
200P93.4Very high94.6Very high112 Ų11242.9 Ų42.973%0.72727%0.27SS*.THydrogen-bonded Turntrans-55.2123173-28.537000112.3G202 E205P200-G202 PolarHBondContact O-N 3.2Å; P200-E205 VanDerWaalsContact CA-OE2 3.28Å; P200-E205 WeakPolarHBondContact CA-OE2 3.09Å
201G90.6Very high94.8Very high62 Ų6242.4 Ų42.464%0.63927%0.27SS*.THydrogen-bonded Turntrans67.111.6-174.100000114.6V199 E205V199-G201 PolarHBondContact O-N 3.42Å; G201-E205 PolarHBondContact N-OE2 2.79Å
202G92.3Very high94.9Very high10 Ų1039.7 Ų39.710%0.10325%0.251CS..  trans-70.5165.4174.300000112.2V199 P200 E205 S206V199-G202 WeakPolarHBondContact O-CA 3.38Å; V199-G202 PolarHBondContact O-N 2.84Å; P200-G202 PolarHBondContact O-N 3.2Å; G202-E205 PolarHBondContact O-N 2.84Å; G202-S206 VanDerWaalsContact O-CB 3.28Å; G202-S206 WeakPolarHBondContact O-CB 3.39Å; G202-S206 PolarHBondContact O-N 3.19Å; G202-S206 PolarHBondContact O-OG 3.23Å
203L93.1Very high94.9Very high34 Ų3443.3 Ų43.318%0.17827%0.268CS..Hα-helixtrans-57.6-56.3-178.9171.763.6000111V143 L161 R163 L170 E205 S206 T207V143-L203 HydrophobicContact CG1-CD1 3.44Å; V143-L203 VanDerWaalsContact CG1-CD1 3.44Å; L161-L203 HydrophobicContact CB-CD2 4.48Å; R163-L203 HydrophobicContact CB-CD2 4.23Å; L170-L203 HydrophobicContact CD2-CD2 4.17Å; L170-L203 WeakPolarHBondContact O-CB 3.23Å; L203-E205 PolarHBondContact O-N 2.97Å; L203-S206 PolarHBondContact O-N 3.34Å; L203-T207 WeakPolarHBondContact O-CG2 3.39Å; L203-T207 PolarHBondContact O-N 3.48Å
204A94.6Very high94.8Very high0 Ų043.2 Ų43.20%027%0.268CS..Hα-helixtrans-60.3-42.9-177.700000113.3L161 L170 F172 M198 T207 L210L161-A204 HydrophobicContact CD1-CB 4.36Å; L170-A204 WeakPolarHBondContact O-CB 3.37Å; L170-A204 PolarHBondContact O-N 3.24Å; F172-A204 HydrophobicContact CB-CB 4Å; F172-A204 HydrophobicContact CD1-CB 3.51Å; F172-A204 HydrophobicContact CE1-CB 4.36Å; F172-A204 HydrophobicContact CG-CB 4.11Å; M198-A204 HydrophobicContact CE-CB 3.69Å; A204-T207 PolarHBondContact O-N 2.91Å; A204-T207 PolarHBondContact O-OG1 3.46Å; A204-L210 HydrophobicContact CB-CD1 4.18Å
205E94.1Very high94.8Very high82 Ų8242.5 Ų42.538%0.38327%0.265SS..Hα-helixtrans-62.3-46.8177.1-167.4-169-107.400111.5M198 V199 P200 G201 G202 L203 T207 G208M198-E205 HydrophobicContact CB-CB 4.25Å; M198-E205 HydrophobicContact CB-CG 4.33Å; M198-E205 HydrophobicContact CE-CB 4.15Å; V199-E205 WeakPolarHBondContact O-CB 3.37Å; P200-E205 VanDerWaalsContact CA-OE2 3.28Å; P200-E205 WeakPolarHBondContact CA-OE2 3.09Å; G201-E205 PolarHBondContact N-OE2 2.79Å; G202-E205 PolarHBondContact O-N 2.84Å; L203-E205 PolarHBondContact O-N 2.97Å; E205-T207 PolarHBondContact O-N 3.48Å; E205-G208 PolarHBondContact O-N 3.4Å
206S92.3Very high94.8Very high85 Ų8542.6 Ų42.659%0.59427%0.265SS*.Hα-helixtrans-60.5-21.1-179.7-57.90000113.7G202 L203G202-S206 VanDerWaalsContact O-CB 3.28Å; G202-S206 WeakPolarHBondContact O-CB 3.39Å; G202-S206 PolarHBondContact O-N 3.19Å; G202-S206 PolarHBondContact O-OG 3.23Å; L203-S206 PolarHBondContact O-N 3.34Å
207T92.4Very high94.8Very high27 Ų2742.2 Ų42.217%0.16626%0.261CS..Hα-helixtrans-81.9-23.3175.668.10000113.5V143 S144 L161 L203 A204 E205 L209V143-T207 HydrophobicContact CG1-CG2 4.16Å; S144-T207 VanDerWaalsContact CB-CG2 3.46Å; S144-T207 WeakPolarHBondContact OG-CG2 3.4Å; L161-T207 HydrophobicContact CD2-CG2 3.92Å; L203-T207 WeakPolarHBondContact O-CG2 3.39Å; L203-T207 PolarHBondContact O-N 3.48Å; A204-T207 PolarHBondContact O-N 2.91Å; A204-T207 PolarHBondContact O-OG1 3.46Å; E205-T207 PolarHBondContact O-N 3.48Å; T207-L209 PolarHBondContact O-N 2.87Å; T207-L209 PolarHBondContact OG1-N 3.34Å
208G93.1Very high94.8Very high43 Ų4338.5 Ų38.544%0.44325%0.248SC..THydrogen-bonded Turntrans61.36.2-170.300000115E205E205-G208 PolarHBondContact O-N 3.4Å
209L94.6Very high94.9Very high26 Ų2637 Ų3714%0.13624%0.241CC..SBendtrans-87.1-15.7-174.3-64.7-174.5000113.8I146 R157 V159 T207I146-L209 HydrophobicContact CD1-CD2 3.87Å; I146-L209 HydrophobicContact CG1-CD1 4.04Å; I146-L209 HydrophobicContact CG1-CD2 3.79Å; R157-L209 WeakPolarHBondContact CD-O 3.34Å; R157-L209 PolarHBondContact NH1-O 3.22Å; V159-L209 HydrophobicContact CG1-CB 3.84Å; V159-L209 HydrophobicContact CG1-CD1 3.83Å; V159-L209 HydrophobicContact CG2-CB 4.02Å; T207-L209 PolarHBondContact O-N 2.87Å; T207-L209 PolarHBondContact OG1-N 3.34Å
210L95.6Very high95Very high8 Ų837.5 Ų37.54%0.04224%0.242CC..  trans-127.7145.1178.4-62.2177.8000109.5V159 L161 F172 I195 M198 A204 V245 V247V159-L210 HydrophobicContact CB-CD2 4.3Å; V159-L210 HydrophobicContact CG2-CD2 3.98Å; L161-L210 HydrophobicContact CD1-CD1 4Å; F172-L210 HydrophobicContact CD1-CD1 4.42Å; F172-L210 HydrophobicContact CE1-CD1 4.28Å; I195-L210 HydrophobicContact CD1-CB 3.92Å; I195-L210 HydrophobicContact CD1-CD1 4.32Å; I195-L210 HydrophobicContact CD1-CD2 4.3Å; I195-L210 HydrophobicContact CD1-CG 4.41Å; M198-L210 HydrophobicContact CE-CB 4.3Å; A204-L210 HydrophobicContact CB-CD1 4.18Å; L210-V245 HydrophobicContact CD1-CG1 4.21Å; L210-V245 HydrophobicContact CD2-CG1 4.1Å; L210-V247 HydrophobicContact CD2-CG1 3.86Å; L210-V247 HydrophobicContact CD2-CG2 3.92Å
211A95.4Very high95.1Very high27 Ų2735.1 Ų35.122%0.22324%0.238CC..  trans-135.9162.3179.700000112.5I195 D214I195-A211 WeakPolarHBondContact CB-O 3.34Å; A211-D214 PolarHBondContact N-OD2 3.43Å; A211-D214 WeakPolarHBondContact O-CB 3.34Å; A211-D214 VanDerWaalsContact O-CG 3.26Å; A211-D214 PolarHBondContact O-N 3.24Å
212V96.3Very high95.4Very high56 Ų5636 Ų3634%0.33923%0.227SC..THydrogen-bonded Turntrans-61.3139.5172.1-1750000110.1S196 M198 D214S196-V212 WeakPolarHBondContact O-CG1 3.25Å; M198-V212 HydrophobicContact CG-CG2 3.8Å; V212-D214 VanDerWaalsContact C-N 3.31Å
213N96.2Very high95.6Very high83 Ų8341.7 Ų41.744%0.44425%0.251SS..THydrogen-bonded Turntrans73.31.3-173.6-52.7-58.9000116.6R175 I195 E215 A250R175-N213 PolarHBondContact NH2-OD1 2.87Å; I195-N213 PolarHBondContact O-N 3.38Å; N213-E215 PolarHBondContact O-N 2.88Å; N213-A250 HydrophobicContact CB-CB 3.89Å
214D96.9Very high95.8Very high3 Ų340.4 Ų40.42%0.01625%0.245CC..PPolyproline II helixtrans-59.2131.1168.2-69.3-8.9000110F194 I195 A211 V212 V247 P249 A250F194-D214 WeakPolarHBondContact CA-O 3.31Å; I195-D214 HydrophobicContact CD1-CB 4.15Å; I195-D214 HydrophobicContact CG1-CB 4.38Å; I195-D214 PolarHBondContact N-O 3.36Å; A211-D214 PolarHBondContact N-OD2 3.43Å; A211-D214 WeakPolarHBondContact O-CB 3.34Å; A211-D214 VanDerWaalsContact O-CG 3.26Å; A211-D214 PolarHBondContact O-N 3.24Å; V212-D214 VanDerWaalsContact C-N 3.31Å; D214-V247 HydrophobicContact CB-CB 4.29Å; D214-P249 VanDerWaalsContact OD1-CA 3.26Å; D214-P249 WeakPolarHBondContact OD1-CA 3.38Å; D214-A250 PolarHBondContact OD1-N 2.89Å
215E97.2Very high95.7Very high9 Ų943.3 Ų43.34%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-83.7120.3178.3-177.4-172.8162.900108.7S179 R181 I193 F194 N213 L217 V247 K248S179-E215 VanDerWaalsContact CB-OE1 3.29Å; S179-E215 WeakPolarHBondContact CB-OE1 3.47Å; S179-E215 PolarHBondContact OG-OE1 3.01Å; S179-E215 PolarHBondContact OG-OE2 2.87Å; R181-E215 IonicContact CZ-OE1 3.01Å; R181-E215 IonicContact NE-OE1 3.1Å; R181-E215 IonicContact NH2-OE1 3.9Å; R181-E215 PolarHBondContact NH2-OE1 3.44Å; I193-E215 CarbonylContact O-C 3.52Å; I193-E215 WeakPolarHBondContact O-CA 3.2Å; F194-E215 HydrophobicContact CD1-CB 3.89Å; F194-E215 HydrophobicContact CD1-CG 4.34Å; F194-E215 HydrophobicContact CE1-CB 3.64Å; F194-E215 HydrophobicContact CE1-CG 3.84Å; F194-E215 HydrophobicContact CZ-CB 4.36Å; F194-E215 HydrophobicContact CZ-CG 4.04Å; N213-E215 PolarHBondContact O-N 2.88Å; E215-L217 HydrophobicContact CG-CD2 4.03Å; E215-V247 CarbonylContact O-C 3.46Å; E215-V247 WeakPolarHBondContact O-CA 3.36Å; E215-K248 HydrophobicContact CB-CB 4.2Å; E215-K248 PolarHBondContact N-O 2.85Å; E215-K248 VanDerWaalsContact N-O 3.08Å; E215-K248 PolarHBondContact O-N 2.91Å; E215-K248 IonicContact OE2-NZ 3.36Å; E215-K248 PolarHBondContact OE2-NZ 2.85Å
216V97.8Very high95.7Very high2 Ų243.4 Ų43.41%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-78.7132175.5179.80000109I174 I193 I195 V219 V224 M236 V245 V247I174-V216 HydrophobicContact CG2-CG2 4.39Å; I193-V216 HydrophobicContact CB-CB 4.24Å; I193-V216 HydrophobicContact CG2-CB 4.22Å; I193-V216 HydrophobicContact CG2-CG2 4.4Å; I193-V216 PolarHBondContact O-N 2.76Å; I195-V216 HydrophobicContact CG1-CG2 4.31Å; V216-V219 HydrophobicContact CG1-CG2 4.25Å; V216-V224 HydrophobicContact CG1-CG1 4.12Å; V216-V224 HydrophobicContact CG1-CG2 4.38Å; V216-V224 WeakPolarHBondContact O-CG2 3.08Å; V216-M236 HydrophobicContact CG1-CE 3.8Å; V216-M236 HydrophobicContact CG2-CE 4.19Å; V216-V245 HydrophobicContact CG1-CG2 3.84Å; V216-V247 HydrophobicContact CG2-CG1 4.3Å
217L97.1Very high95.9Very high25 Ų2542.5 Ų42.513%0.13128%0.278CS..EExtended strand (participates in β ladder)trans-116.8-40.4-176.3-58.5-179000112.8H156 E215 E223 V224 T246 K248H156-L217 WeakPolarHBondContact CD2-CD1 3.41Å; H156-L217 WeakPolarHBondContact NE2-CD1 3.33Å; E215-L217 HydrophobicContact CG-CD2 4.03Å; L217-E223 WeakPolarHBondContact O-CA 3.39Å; L217-V224 PolarHBondContact O-N 3.22Å; L217-T246 PolarHBondContact N-O 3.35Å; L217-K248 HydrophobicContact CD1-CB 4.16Å
218E97.7Very high96.1Very high42 Ų4244.6 Ų44.620%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-142.4147.7-178-51.9170.2146.600110.7R158 I222 E223 V245 T246R158-E218 IonicContact CZ-OE2 2.85Å; R158-E218 IonicContact NE-OE2 3.51Å; R158-E218 IonicContact NH2-OE1 2.73Å; R158-E218 IonicContact NH2-OE2 3.22Å; R158-E218 PolarHBondContact NH2-OE2 3.23Å; E218-I222 CarbonylContact C-O 3.57Å; E218-I222 VanDerWaalsContact CA-O 3.3Å; E218-I222 WeakPolarHBondContact CA-O 3.34Å; E218-E223 HydrophobicContact CG-CG 4.36Å; E218-V245 WeakPolarHBondContact O-CA 3.34Å; E218-T246 PolarHBondContact N-O 3.39Å; E218-T246 PolarHBondContact O-N 3.23Å; E218-T246 WeakPolarHBondContact OE2-CB 3.33Å; E218-T246 PolarHBondContact OE2-OG1 2.71Å
219V98.1Very high96.3Very high0 Ų043.9 Ų43.90%028%0.276CS..EExtended strand (participates in β ladder)trans-128.4121.1169.9171.40000108.5V216 G221 I222 V224 V232 M235 M236 L243 I244 V245V216-V219 HydrophobicContact CG1-CG2 4.25Å; V219-G221 PolarHBondContact O-N 3.18Å; V219-I222 PolarHBondContact N-O 3.16Å; V219-I222 WeakPolarHBondContact O-CB 3.38Å; V219-I222 PolarHBondContact O-N 3.4Å; V219-V224 HydrophobicContact CG2-CG1 4.11Å; V219-V232 HydrophobicContact CG2-CG1 4.5Å; V219-M235 HydrophobicContact CB-CE 3.97Å; V219-M235 HydrophobicContact CG1-CB 4.17Å; V219-M235 HydrophobicContact CG1-CE 4.41Å; V219-M236 HydrophobicContact CG1-CG 4.21Å; V219-M236 HydrophobicContact CG2-CE 3.63Å; V219-M236 HydrophobicContact CG2-CG 3.93Å; V219-L243 HydrophobicContact CG1-CD1 3.73Å; V219-I244 CarbonylContact C-O 3.52Å; V219-V245 HydrophobicContact CG2-CG2 4.44Å
220N96.8Very high96.4Very high51 Ų5147.6 Ų47.627%0.27330%0.296SS..THydrogen-bonded Turntrans47.639.9-177.2-73.337.6000114.1N239 N242 I244N220-N239 WeakPolarHBondContact ND2-CB 3.48Å; N220-N239 VanDerWaalsContact ND2-CG 3.27Å; N220-N239 PolarHBondContact ND2-OD1 3.2Å; N220-N242 PolarHBondContact ND2-O 2.88Å; N220-I244 PolarHBondContact N-O 2.89Å; N220-I244 PolarHBondContact OD1-N 2.82Å; N220-I244 PolarHBondContact OD1-O 3.17Å
221G94.9Very high96.5Very high62 Ų6251.9 Ų51.964%0.63932%0.316SS*.THydrogen-bonded Turntrans829.718000000114.9V219V219-G221 PolarHBondContact O-N 3.18Å
222I97Very high96.6Very high81 Ų8150.6 Ų50.642%0.41531%0.305SS..EExtended strand (participates in β ladder)trans-110.7120.2176.7-53.4172.5000108.4E218 V219 M235E218-I222 CarbonylContact C-O 3.57Å; E218-I222 VanDerWaalsContact CA-O 3.3Å; E218-I222 WeakPolarHBondContact CA-O 3.34Å; V219-I222 PolarHBondContact N-O 3.16Å; V219-I222 WeakPolarHBondContact O-CB 3.38Å; V219-I222 PolarHBondContact O-N 3.4Å; I222-M235 HydrophobicContact CB-CE 3.7Å; I222-M235 HydrophobicContact CD1-CE 4.29Å; I222-M235 HydrophobicContact CG2-CE 3.69Å; I222-M235 HydrophobicContact CG2-SD 4.5Å
223E96.8Very high96.7Very high129 Ų12948.4 Ų48.460%0.60329%0.292SS*.EExtended strand (participates in β ladder)trans-58.7144175-67.3-175.2-169.500111.9L217 E218 K227L217-E223 WeakPolarHBondContact O-CA 3.39Å; E218-E223 HydrophobicContact CG-CG 4.36Å; E223-K227 VanDerWaalsContact O-CE 3.22Å; E223-K227 WeakPolarHBondContact O-CE 3.42Å
224V96.9Very high96.7Very high8 Ų849.4 Ų49.45%0.04830%0.297CS..  trans-94.9-6.7176.7-50.80000113.4I193 V216 L217 V219 G226 K227 V232I193-V224 HydrophobicContact CB-CG2 4.41Å; I193-V224 HydrophobicContact CG1-CG2 4.16Å; V216-V224 HydrophobicContact CG1-CG1 4.12Å; V216-V224 HydrophobicContact CG1-CG2 4.38Å; V216-V224 WeakPolarHBondContact O-CG2 3.08Å; L217-V224 PolarHBondContact O-N 3.22Å; V219-V224 HydrophobicContact CG2-CG1 4.11Å; V224-G226 PolarHBondContact O-N 3.03Å; V224-K227 WeakPolarHBondContact O-CB 3.23Å; V224-K227 PolarHBondContact O-N 3.04Å; V224-K227 VanDerWaalsContact O-N 3.13Å; V224-V232 HydrophobicContact CB-CG1 4.42Å; V224-V232 HydrophobicContact CB-CG2 3.79Å; V224-V232 HydrophobicContact CG1-CG1 3.91Å; V224-V232 HydrophobicContact CG1-CG2 3.99Å
225A93.8Very high96.7Very high60 Ų6050.6 Ų50.650%0.49630%0.303SS..THydrogen-bonded Turntrans-60.4129.7178.800000111K227A225-K227 VanDerWaalsContact C-N 3.25Å; A225-K227 PolarHBondContact O-N 2.78Å
226G92.7Very high96.7Very high85 Ų8550.1 Ų50.188%0.87630%0.301SS*.THydrogen-bonded Turntrans754.7-17800000115.6V224V224-G226 PolarHBondContact O-N 3.03Å
227K96.1Very high96.6Very high66 Ų6654 Ų5429%0.28732%0.321SS..  trans-92154172.4-58.2-162.6175.6-156.70111.3E223 V224 A225 Q231 V232 M235E223-K227 VanDerWaalsContact O-CE 3.22Å; E223-K227 WeakPolarHBondContact O-CE 3.42Å; V224-K227 WeakPolarHBondContact O-CB 3.23Å; V224-K227 PolarHBondContact O-N 3.04Å; V224-K227 VanDerWaalsContact O-N 3.13Å; A225-K227 VanDerWaalsContact C-N 3.25Å; A225-K227 PolarHBondContact O-N 2.78Å; K227-Q231 HydrophobicContact CB-CB 4.36Å; K227-V232 HydrophobicContact CB-CG2 3.79Å; K227-M235 HydrophobicContact CD-CE 4.4Å; K227-M235 HydrophobicContact CD-SD 3.69Å; K227-M235 PolarHBondContact NZ-SD 3.07Å
228T96.9Very high96.4Very high70 Ų7056.8 Ų56.843%0.42935%0.347SS..  trans-77.8156.717267.80000111.2D230 Q231 V232T228-D230 PolarHBondContact O-N 2.84Å; T228-Q231 VanDerWaalsContact N-OE1 3.12Å; T228-Q231 PolarHBondContact O-N 3.45Å; T228-Q231 VanDerWaalsContact O-N 3.12Å; T228-Q231 VanDerWaalsContact OG1-CG 3.28Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.23Å; T228-Q231 PolarHBondContact OG1-N 2.97Å; T228-V232 WeakPolarHBondContact O-CG2 3.46Å; T228-V232 PolarHBondContact O-N 2.86Å; T228-V232 VanDerWaalsContact O-N 3.09Å
229L97.4Very high96.3Very high29 Ų2957.3 Ų57.315%0.15235%0.351CS..Hα-helixtrans-51.4-43.8174.5-17364.9000112.1I174 I193 V232 T233I174-L229 HydrophobicContact CB-CD1 4.26Å; I174-L229 HydrophobicContact CD1-CD1 3.87Å; I174-L229 HydrophobicContact CG1-CD1 3.79Å; I193-L229 HydrophobicContact CD1-CD1 3.97Å; I193-L229 HydrophobicContact CG2-CD1 4.32Å; L229-V232 PolarHBondContact O-N 2.65Å; L229-T233 WeakPolarHBondContact O-CB 3.07Å; L229-T233 PolarHBondContact O-N 3.18Å; L229-T233 PolarHBondContact O-OG1 3.19Å
230D97.4Very high96.1Very high104 Ų10457.8 Ų57.856%0.55636%0.355SS*.Hα-helixtrans-62.6-44.5178.5-57-35.6000112T228 V232 T233 D234T228-D230 PolarHBondContact O-N 2.84Å; D230-V232 VanDerWaalsContact C-N 3.29Å; D230-V232 PolarHBondContact O-N 2.79Å; D230-T233 WeakPolarHBondContact O-CB 3.35Å; D230-T233 PolarHBondContact O-N 2.86Å; D230-D234 PolarHBondContact O-N 3Å
231Q97.6Very high95.8Very high98 Ų9860.9 Ų60.946%0.45837%0.367SS..Hα-helixtrans-61.8-37.7177.1-72.4168.4-400112.2K227 T228 M235K227-Q231 HydrophobicContact CB-CB 4.36Å; T228-Q231 VanDerWaalsContact N-OE1 3.12Å; T228-Q231 PolarHBondContact O-N 3.45Å; T228-Q231 VanDerWaalsContact O-N 3.12Å; T228-Q231 VanDerWaalsContact OG1-CG 3.28Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.23Å; T228-Q231 PolarHBondContact OG1-N 2.97Å; Q231-M235 WeakPolarHBondContact O-CB 3.47Å; Q231-M235 WeakPolarHBondContact O-CG 3.39Å; Q231-M235 PolarHBondContact O-N 2.91Å
232V97.9Very high95.8Very high0 Ų060.5 Ų60.50%035%0.351CS..Hα-helixtrans-72.8-37177.3179.10000110.8I174 I193 V219 V224 K227 T228 L229 D230 M235 M236I174-V232 HydrophobicContact CD1-CB 4.36Å; I174-V232 HydrophobicContact CD1-CG1 3.94Å; I193-V232 HydrophobicContact CG1-CG2 4.23Å; I193-V232 HydrophobicContact CG2-CG1 4.34Å; V219-V232 HydrophobicContact CG2-CG1 4.5Å; V224-V232 HydrophobicContact CB-CG1 4.42Å; V224-V232 HydrophobicContact CB-CG2 3.79Å; V224-V232 HydrophobicContact CG1-CG1 3.91Å; V224-V232 HydrophobicContact CG1-CG2 3.99Å; K227-V232 HydrophobicContact CB-CG2 3.79Å; T228-V232 WeakPolarHBondContact O-CG2 3.46Å; T228-V232 PolarHBondContact O-N 2.86Å; T228-V232 VanDerWaalsContact O-N 3.09Å; L229-V232 PolarHBondContact O-N 2.65Å; D230-V232 VanDerWaalsContact C-N 3.29Å; D230-V232 PolarHBondContact O-N 2.79Å; V232-M235 PolarHBondContact O-N 3.42Å; V232-M236 HydrophobicContact CG1-CE 4.04Å; V232-M236 WeakPolarHBondContact O-CG 3.33Å; V232-M236 PolarHBondContact O-N 3.1Å
233T97.1Very high95.8Very high10 Ų1056.7 Ų56.76%0.06133%0.331CS..Hα-helixtrans-58.9-52.6172.2-58.30000110.3L229 D230 M235 M236 I237 V374 L376L229-T233 WeakPolarHBondContact O-CB 3.07Å; L229-T233 PolarHBondContact O-N 3.18Å; L229-T233 PolarHBondContact O-OG1 3.19Å; D230-T233 WeakPolarHBondContact O-CB 3.35Å; D230-T233 PolarHBondContact O-N 2.86Å; T233-M235 VanDerWaalsContact C-N 3.34Å; T233-M235 PolarHBondContact O-N 3.29Å; T233-M236 PolarHBondContact O-N 3.38Å; T233-M236 VanDerWaalsContact O-N 3.12Å; T233-I237 HydrophobicContact CG2-CD1 3.92Å; T233-I237 WeakPolarHBondContact O-CG1 3.48Å; T233-I237 PolarHBondContact O-N 3.03Å; T233-V374 HydrophobicContact CG2-CG1 4.31Å; T233-L376 HydrophobicContact CG2-CD2 3.59Å; T233-L376 HydrophobicContact CG2-CG 4.3Å
234D97Very high95.9Very high103 Ų10352.3 Ų52.355%0.55131%0.311SS*.Hα-helixtrans-58.4-43.1176.4-74.9-21.9000112.2D230 M236 I237 A238D230-D234 PolarHBondContact O-N 3Å; D234-M236 VanDerWaalsContact C-N 3.34Å; D234-M236 PolarHBondContact O-N 3.5Å; D234-I237 PolarHBondContact O-N 3.37Å; D234-A238 VanDerWaalsContact O-CB 3.26Å; D234-A238 WeakPolarHBondContact O-CB 3.15Å; D234-A238 PolarHBondContact O-N 2.98Å
235M97.4Very high95.9Very high28 Ų2852 Ų5214%0.13831%0.309CS..Hα-helixtrans-61.2-39.9175.5-77.5170.649.500112.4V219 I222 K227 Q231 V232 T233 N239V219-M235 HydrophobicContact CB-CE 3.97Å; V219-M235 HydrophobicContact CG1-CB 4.17Å; V219-M235 HydrophobicContact CG1-CE 4.41Å; I222-M235 HydrophobicContact CB-CE 3.7Å; I222-M235 HydrophobicContact CD1-CE 4.29Å; I222-M235 HydrophobicContact CG2-CE 3.69Å; I222-M235 HydrophobicContact CG2-SD 4.5Å; K227-M235 HydrophobicContact CD-CE 4.4Å; K227-M235 HydrophobicContact CD-SD 3.69Å; K227-M235 PolarHBondContact NZ-SD 3.07Å; Q231-M235 WeakPolarHBondContact O-CB 3.47Å; Q231-M235 WeakPolarHBondContact O-CG 3.39Å; Q231-M235 PolarHBondContact O-N 2.91Å; V232-M235 PolarHBondContact O-N 3.42Å; T233-M235 VanDerWaalsContact C-N 3.34Å; T233-M235 PolarHBondContact O-N 3.29Å; M235-N239 PolarHBondContact O-N 3.49Å; M235-N239 PolarHBondContact O-ND2 2.92Å
236M96.9Very high96.1Very high0 Ų049.4 Ų49.40%029%0.287CS..Hα-helixtrans-69.8-41.7175.5-71.3-173.4-17800112.1F172 I174 V216 V219 V232 T233 D234 N239 S240 L243 V245 L376F172-M236 HydrophobicContact CE2-CE 4.34Å; F172-M236 HydrophobicContact CE2-SD 3.93Å; F172-M236 HydrophobicContact CZ-CE 4.47Å; F172-M236 HydrophobicContact CZ-SD 3.85Å; I174-M236 HydrophobicContact CD1-CE 4.43Å; I174-M236 HydrophobicContact CD1-SD 4.2Å; I174-M236 HydrophobicContact CG2-CE 4.2Å; I174-M236 HydrophobicContact CG2-SD 4.33Å; V216-M236 HydrophobicContact CG1-CE 3.8Å; V216-M236 HydrophobicContact CG2-CE 4.19Å; V219-M236 HydrophobicContact CG1-CG 4.21Å; V219-M236 HydrophobicContact CG2-CE 3.63Å; V219-M236 HydrophobicContact CG2-CG 3.93Å; V232-M236 HydrophobicContact CG1-CE 4.04Å; V232-M236 WeakPolarHBondContact O-CG 3.33Å; V232-M236 PolarHBondContact O-N 3.1Å; T233-M236 PolarHBondContact O-N 3.38Å; T233-M236 VanDerWaalsContact O-N 3.12Å; D234-M236 VanDerWaalsContact C-N 3.34Å; D234-M236 PolarHBondContact O-N 3.5Å; M236-N239 CarbonylContact O-C 3.56Å; M236-N239 PolarHBondContact O-N 2.82Å; M236-S240 WeakPolarHBondContact O-CA 3.01Å; M236-S240 PolarHBondContact O-N 2.75Å; M236-L243 HydrophobicContact CB-CD1 4.49Å; M236-L243 HydrophobicContact CG-CD1 4.27Å; M236-V245 HydrophobicContact CE-CG2 4.38Å; M236-L376 HydrophobicContact CB-CD2 4.37Å; M236-L376 HydrophobicContact SD-CD1 3.93Å
237I94.4Very high96.3Very high84 Ų8445.3 Ų45.343%0.43125%0.246SC..Hα-helixtrans-62.8-49.3178.1-68.4169.8000110.6T233 D234 N239 S240 L376T233-I237 HydrophobicContact CG2-CD1 3.92Å; T233-I237 WeakPolarHBondContact O-CG1 3.48Å; T233-I237 PolarHBondContact O-N 3.03Å; D234-I237 PolarHBondContact O-N 3.37Å; I237-N239 PolarHBondContact O-N 3.03Å; I237-S240 WeakPolarHBondContact O-CB 3.49Å; I237-S240 PolarHBondContact O-N 2.96Å; I237-S240 PolarHBondContact O-OG 2.7Å; I237-L376 HydrophobicContact CD1-CD2 3.94Å; I237-L376 HydrophobicContact CG1-CD2 3.53Å
238A94.6Very high96.3Very high82 Ų8245.6 Ų45.668%0.67825%0.247SC*.Hα-helixtrans-59.2-30.4179.500000112.9D234D234-A238 VanDerWaalsContact O-CB 3.26Å; D234-A238 WeakPolarHBondContact O-CB 3.15Å; D234-A238 PolarHBondContact O-N 2.98Å
239N95.3Very high96.1Very high54 Ų5442.6 Ų42.629%0.28923%0.229SC..THydrogen-bonded Turntrans-102.48.7178.2-67.4-80.5000113.5N220 M235 M236 I237 H241 N242 L243N220-N239 WeakPolarHBondContact ND2-CB 3.48Å; N220-N239 VanDerWaalsContact ND2-CG 3.27Å; N220-N239 PolarHBondContact ND2-OD1 3.2Å; M235-N239 PolarHBondContact O-N 3.49Å; M235-N239 PolarHBondContact O-ND2 2.92Å; M236-N239 CarbonylContact O-C 3.56Å; M236-N239 PolarHBondContact O-N 2.82Å; I237-N239 PolarHBondContact O-N 3.03Å; N239-H241 PolarHBondContact O-N 2.84Å; N239-N242 CarbonylContact O-C 3.45Å; N239-N242 PolarHBondContact O-N 2.65Å; N239-L243 HydrophobicContact CB-CD1 4.29Å; N239-L243 PolarHBondContact O-N 3.04Å; N239-L243 VanDerWaalsContact O-N 3.14Å
240S92.8Very high95.6Very high10 Ų1043.7 Ų43.77%0.0724%0.241CC..THydrogen-bonded Turntrans-59.1-24.6-167.860.20000115.1R163 M236 I237R163-S240 WeakPolarHBondContact CB-O 3.2Å; R163-S240 WeakPolarHBondContact CD-O 3.46Å; R163-S240 PolarHBondContact NH1-OG 2.89Å; M236-S240 WeakPolarHBondContact O-CA 3.01Å; M236-S240 PolarHBondContact O-N 2.75Å; I237-S240 WeakPolarHBondContact O-CB 3.49Å; I237-S240 PolarHBondContact O-N 2.96Å; I237-S240 PolarHBondContact O-OG 2.7Å
241H91.3Very high94.5Very high115 Ų11544 Ų4453%0.53224%0.243SC..THydrogen-bonded Turntrans-68.9-32.8173.9-72.4-68.9000113.8R163 N239R163-H241 PolarHBondContact N-O 3.19Å; N239-H241 PolarHBondContact O-N 2.84Å
242N94.9Very high92.9Very high55 Ų5544.7 Ų44.729%0.29425%0.246SC..EExtended strand (participates in β ladder)trans-147.670.8-176.9-156.3-45.2000109.3R160 H162 N220 N239R160-N242 VanDerWaalsContact CZ-OD1 3.3Å; R160-N242 PolarHBondContact NE-OD1 3.14Å; R160-N242 PolarHBondContact NH2-ND2 3.03Å; R160-N242 VanDerWaalsContact NH2-ND2 3.13Å; R160-N242 PolarHBondContact NH2-OD1 2.82Å; H162-N242 PolarHBondContact CD2-ND2 3.38Å; H162-N242 PolarHBondContact NE2-ND2 2.99Å; N220-N242 PolarHBondContact ND2-O 2.88Å; N239-N242 CarbonylContact O-C 3.45Å; N239-N242 PolarHBondContact O-N 2.65Å
243L97.2Very high91Very high0 Ų055.9 Ų55.90%029%0.289CS..EExtended strand (participates in β ladder)trans-82.5129.1-176.5-178.467000109.4R160 L161 L170 F172 V219 M236 N239 V245R160-L243 CarbonylContact C-O 3.58Å; R160-L243 VanDerWaalsContact CA-O 3.3Å; R160-L243 WeakPolarHBondContact CA-O 3.5Å; L161-L243 HydrophobicContact CB-CB 4.49Å; L161-L243 PolarHBondContact N-O 2.79Å; L161-L243 PolarHBondContact O-N 3.46Å; L170-L243 HydrophobicContact CD1-CD2 3.71Å; L170-L243 HydrophobicContact CD2-CD2 4.48Å; F172-L243 HydrophobicContact CE1-CD2 4.27Å; F172-L243 HydrophobicContact CZ-CD2 4.1Å; V219-L243 HydrophobicContact CG1-CD1 3.73Å; M236-L243 HydrophobicContact CB-CD1 4.49Å; M236-L243 HydrophobicContact CG-CD1 4.27Å; N239-L243 HydrophobicContact CB-CD1 4.29Å; N239-L243 PolarHBondContact O-N 3.04Å; N239-L243 VanDerWaalsContact O-N 3.14Å; L243-V245 HydrophobicContact CG-CB 4.49Å
244I97.8Very high89Confident37 Ų3760.2 Ų60.219%0.1931%0.311CS..EExtended strand (participates in β ladder)trans-114.3113.5167.6-64.4171.3000106.3I147 R158 V159 R160 V219 N220I147-I244 HydrophobicContact CD1-CD1 4.22Å; I147-I244 HydrophobicContact CD1-CG1 4.35Å; I147-I244 HydrophobicContact CD1-CG2 3.81Å; R158-I244 HydrophobicContact CG-CG2 3.7Å; V159-I244 CarbonylContact O-C 3.58Å; V159-I244 WeakPolarHBondContact O-CA 3.41Å; R160-I244 HydrophobicContact CB-CG1 4.21Å; R160-I244 HydrophobicContact CG-CG1 3.85Å; V219-I244 CarbonylContact C-O 3.52Å; N220-I244 PolarHBondContact N-O 2.89Å; N220-I244 PolarHBondContact OD1-N 2.82Å; N220-I244 PolarHBondContact OD1-O 3.17Å
245V97.9Very high87Confident1 Ų157.1 Ų57.11%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-118.9128.8179.765.30000109.8R158 V159 L210 V216 E218 V219 M236 L243 V247R158-V245 WeakPolarHBondContact CA-O 3.46Å; V159-V245 HydrophobicContact CB-CG1 4.14Å; V159-V245 PolarHBondContact N-O 2.78Å; V159-V245 PolarHBondContact O-N 3.48Å; L210-V245 HydrophobicContact CD1-CG1 4.21Å; L210-V245 HydrophobicContact CD2-CG1 4.1Å; V216-V245 HydrophobicContact CG1-CG2 3.84Å; E218-V245 WeakPolarHBondContact O-CA 3.34Å; V219-V245 HydrophobicContact CG2-CG2 4.44Å; M236-V245 HydrophobicContact CE-CG2 4.38Å; L243-V245 HydrophobicContact CG-CB 4.49Å; V245-V247 HydrophobicContact CG1-CG1 4.4Å; V245-V247 HydrophobicContact CG2-CG1 3.87Å
246T97.5Very high85.1Confident6 Ų660.8 Ų60.84%0.03732%0.318CS..EExtended strand (participates in β ladder)trans-96121.9168.9-53.90000108H156 R157 R158 L217 E218H156-T246 HydrophobicContact CB-CG2 4.36Å; R157-T246 WeakPolarHBondContact O-CA 3.39Å; R158-T246 WeakPolarHBondContact CG-OG1 3.46Å; R158-T246 PolarHBondContact NE-OG1 3.35Å; L217-T246 PolarHBondContact N-O 3.35Å; E218-T246 PolarHBondContact N-O 3.39Å; E218-T246 PolarHBondContact O-N 3.23Å; E218-T246 WeakPolarHBondContact OE2-CB 3.33Å; E218-T246 PolarHBondContact OE2-OG1 2.71Å
247V96.9Very high82.9Confident0 Ų066.6 Ų66.60%035%0.354CS..EExtended strand (participates in β ladder)trans-120.9157.2177.6-58.80000111.4H156 R157 L210 D214 E215 V216 V245 P249H156-V247 CarbonylContact C-O 3.49Å; H156-V247 VanDerWaalsContact CA-O 3.27Å; H156-V247 WeakPolarHBondContact CA-O 3.43Å; R157-V247 HydrophobicContact CB-CG2 4.18Å; R157-V247 PolarHBondContact N-O 3.05Å; R157-V247 PolarHBondContact O-N 3.06Å; L210-V247 HydrophobicContact CD2-CG1 3.86Å; L210-V247 HydrophobicContact CD2-CG2 3.92Å; D214-V247 HydrophobicContact CB-CB 4.29Å; E215-V247 CarbonylContact O-C 3.46Å; E215-V247 WeakPolarHBondContact O-CA 3.36Å; V216-V247 HydrophobicContact CG2-CG1 4.3Å; V245-V247 HydrophobicContact CG1-CG1 4.4Å; V245-V247 HydrophobicContact CG2-CG1 3.87Å; V247-P249 HydrophobicContact CG2-CG 4.48Å
248K95.4Very high80.9Confident72 Ų7270.2 Ų70.231%0.31336%0.362SS..EExtended strand (participates in β ladder)trans-102.8107.1163179.6-177.3165.8-163.80107.6E215 L217 A250E215-K248 HydrophobicContact CB-CB 4.2Å; E215-K248 PolarHBondContact N-O 2.85Å; E215-K248 VanDerWaalsContact N-O 3.08Å; E215-K248 PolarHBondContact O-N 2.91Å; E215-K248 IonicContact OE2-NZ 3.36Å; E215-K248 PolarHBondContact OE2-NZ 2.85Å; L217-K248 HydrophobicContact CD1-CB 4.16Å; K248-A250 PolarHBondContact O-N 2.84Å
249P94.2Very high78.5Confident7 Ų769.6 Ų69.65%0.04536%0.364CS..  trans-62.5133.8-175.8-25.836.4000112.5T155 R157 D214 V247T155-P249 WeakPolarHBondContact O-CD 3.38Å; R157-P249 HydrophobicContact CB-CG 4.14Å; D214-P249 VanDerWaalsContact OD1-CA 3.26Å; D214-P249 WeakPolarHBondContact OD1-CA 3.38Å; V247-P249 HydrophobicContact CG2-CG 4.48Å
250A87.1Confident75.8Confident51 Ų5170.6 Ų70.642%0.42139%0.386SS..SBendtrans-67.8-40.6175.500000111.6N213 D214 K248N213-A250 HydrophobicContact CB-CB 3.89Å; D214-A250 PolarHBondContact OD1-N 2.89Å; K248-A250 PolarHBondContact O-N 2.84Å
251N73Confident73.5Confident110 Ų11081.7 Ų81.759%0.58843%0.427SS*.  trans-11193.2177.1-80-45.2000110.3R253 N254N251-R253 PolarHBondContact O-N 3.35Å; N251-N254 PolarHBondContact O-N 3.41Å
252Q64.1Low71Confident113 Ų11380.6 Ų80.653%0.52844%0.438SS..G310 helixtrans-60.2-13.3177.6-64.4-175.97.200113.8N254 N255Q252-N254 PolarHBondContact O-N 2.8Å; Q252-N255 WeakPolarHBondContact O-CB 3.24Å; Q252-N255 PolarHBondContact O-N 2.67Å
253R58.3Low68.9Low235 Ų23586.5 Ų86.589%0.88747%0.468SS*.G310 helixtrans-55-28.7169-81.6-177.3159.6-178.8-6.9114N251N251-R253 PolarHBondContact O-N 3.35Å
254N55.7Low66Low101 Ų10189.9 Ų89.954%0.5450%0.503SS..G310 helixtrans-892.2176.4-77.814.7000113.1R157 N251 Q252R157-N254 PolarHBondContact NH2-O 3.08Å; N251-N254 PolarHBondContact O-N 3.41Å; Q252-N254 PolarHBondContact O-N 2.8Å
255N55.3Low63.2Low39 Ų3993.4 Ų93.421%0.20953%0.531CS..SBendtrans-63.1137.9166.8-86-4000108.6E154 R157 Q252 V257E154-N255 PolarHBondContact O-ND2 2.77Å; R157-N255 VanDerWaalsContact NH2-CA 3.28Å; R157-N255 PolarHBondContact NH2-OD1 3.08Å; Q252-N255 WeakPolarHBondContact O-CB 3.24Å; Q252-N255 PolarHBondContact O-N 2.67Å; N255-V257 PolarHBondContact O-N 2.81Å
256V56.2Low60.4Low104 Ų10498.9 Ų98.963%0.6357%0.57SS**  trans-64.194.7172.5178.70000106.6I146 R258I146-V256 HydrophobicContact CD1-CG2 3.75Å; V256-R258 PolarHBondContact O-N 2.94Å
257V50.1Low57.4Low122 Ų122101.6 Ų101.674%0.73960%0.599SS**  trans-60.5103.5172.1178.80000105.5N255 G259N255-V257 PolarHBondContact O-N 2.81Å; V257-G259 PolarHBondContact O-N 2.68Å
258R54.3Low55Low161 Ų161108 Ų10861%0.60864%0.64SS**  trans-55.1112.5165.1-83.5-176.6172.7163.3-0.4105D150 V256 G260D150-R258 IonicContact OD1-CZ 3.56Å; D150-R258 VanDerWaalsContact OD1-CZ 3.23Å; D150-R258 IonicContact OD1-NH1 3.23Å; D150-R258 PolarHBondContact OD1-NH1 2.76Å; D150-R258 IonicContact OD1-NH2 2.72Å; D150-R258 PolarHBondContact OD1-NH2 3.12Å; D150-R258 IonicContact OD2-NH2 3.54Å; D150-R258 PolarHBondContact OD2-NH2 3.26Å; D150-R258 VanDerWaalsContact OD2-NH2 3.07Å; V256-R258 PolarHBondContact O-N 2.94Å; R258-G260 PolarHBondContact O-N 2.8Å
259G44.1Very low52.3Low69 Ų69110.3 Ų110.371%0.71166%0.663SS**  trans-52.1108.1175.700000107.7V257 R261V257-G259 PolarHBondContact O-N 2.68Å; G259-R261 PolarHBondContact O-N 3.29Å
260G37.8Very low49.7Very low74 Ų74115.3 Ų115.376%0.76370%0.698SS**  trans-60.6108.9-173.700000107.9R258 A262R258-G260 PolarHBondContact O-N 2.8Å; G260-A262 VanDerWaalsContact C-N 3.35Å; G260-A262 PolarHBondContact O-N 3.25Å
261R44Very low47.2Very low244 Ų244121.1 Ų121.192%0.92172%0.722SS**  trans-58.6109.7161-77.1-174.8173.3-169.4-2.6105.1G259 L263G259-R261 PolarHBondContact O-N 3.29Å; R261-L263 PolarHBondContact O-N 3.26Å
262A40.4Very low45.4Very low92 Ų92119.5 Ų119.576%0.7673%0.731SS**  trans-48.1132.1175.100000108.1G260 G264G260-A262 VanDerWaalsContact C-N 3.35Å; G260-A262 PolarHBondContact O-N 3.25Å; A262-G264 PolarHBondContact O-N 2.62Å
263L49.9Very low44.1Very low178 Ų178121.2 Ų121.293%0.93275%0.75SS**  trans-74.858.2175.1-162.477.8000109.5R261 S265R261-L263 PolarHBondContact O-N 3.26Å; L263-S265 VanDerWaalsContact C-N 3.31Å; L263-S265 PolarHBondContact O-N 3.01Å; L263-S265 VanDerWaalsContact O-N 3.15Å
264G35.5Very low43Very low72 Ų72114.9 Ų114.974%0.74275%0.747SS**  trans-83.573.5174.100000109.8A262 S266A262-G264 PolarHBondContact O-N 2.62Å; G264-S266 PolarHBondContact O-N 3.08Å
265S40.6Very low41.9Very low110 Ų110113.3 Ų113.377%0.76976%0.755SS**  trans-76.9110.7171.4-178.70000110.3L263L263-S265 VanDerWaalsContact C-N 3.31Å; L263-S265 PolarHBondContact O-N 3.01Å; L263-S265 VanDerWaalsContact O-N 3.15Å
266S38.3Very low40.9Very low117 Ų117119.3 Ų119.382%0.81879%0.786SS**  173.4146.4128.539.40000110.5G264G264-S266 PolarHBondContact O-N 3.08Å
267G34.1Very low39.9Very low63 Ų63120.9 Ų120.965%0.64980%0.796SS**  trans-87.7178.7-165.800000115.5
268P47.2Very low38.8Very low133 Ų133118.2 Ų118.286%0.86479%0.793SS**  trans-79145174.433.9-33.8000111.4
269P38.1Very low38.5Very low122 Ų122116.7 Ų116.779%0.79280%0.804SS**  trans-126.8157.6137.835.7-26.7000112.4
270S40.6Very low38.6Very low112 Ų112119.4 Ų119.478%0.78381%0.809SS**  trans-80.6175.4-177.9-48.20000113.9
271D34.2Very low38.4Very low172 Ų172120.4 Ų120.492%0.9281%0.81SS**  trans76.7149.4158.3-83.8-20.3000120.5
272G34.5Very low38.5Very low76 Ų76113.7 Ų113.778%0.78480%0.798SS**  trans120.967.2152.600000117.3
273T37.4Very low38.1Very low150 Ų150120.7 Ų120.792%0.9281%0.805SS**  trans-70.1132.6162.4-48.50000110.9
274A35.3Very low37.2Very low101 Ų101118.2 Ų118.284%0.83580%0.797SS**  trans122.1131.7150.200000116.8
275G32.2Very low36.9Very low68 Ų68121.4 Ų121.470%0.70180%0.796SS**  trans131.698.613900000119.8
276L35Very low36.5Very low165 Ų165124 Ų12486%0.86480%0.796SS**  trans83.3114.9133.7-53.2179.3000123
277V33.6Very low36.1Very low137 Ų137123.7 Ų123.783%0.8379%0.786SS**  69131.8124.7-175.70000120.7
278G28.3Very low35.9Very low67 Ų67129.9 Ų129.969%0.69180%0.795SS**  trans-84.1-15117600000115
279P46.9Very low35.4Very low129 Ų129130.6 Ų130.684%0.83879%0.786SS**  cis-131-179.320.543-27.1000116.2
280P47Very low35.5Very low126 Ų126130.4 Ų130.482%0.81879%0.785SS**  trans-119.6157.1-178.640.5-30000116.2
281A33.8Very low35.1Very low94 Ų94130.7 Ų130.778%0.77778%0.778SS**  trans167.3163.6154.300000112
282P46.3Very low35.1Very low104 Ų104131.2 Ų131.268%0.67578%0.775SS**  cis-139.6153.4-29.535-16.8000116.5
283R31.2Very low35.3Very low238 Ų238132.3 Ų132.390%0.89878%0.776SS**  trans62.6141.6146.5-62.6171-176.4-172.4-0.4118.2
284V30.7Very low35.2Very low127 Ų127134.7 Ų134.777%0.7778%0.777SS**  -161.6148.467.8155.80000111.5
285L29.8Very low35.2Very low139 Ų139135.3 Ų135.373%0.72878%0.775SS**  trans4.5145.7158.3-68.1143.9000119.4
286Q31.5Very low35.7Very low163 Ų163139.3 Ų139.376%0.76278%0.781SS**  cis-166.7152.346.5-143.9156.234.900113.3
287N30.8Very low36.1Very low112 Ų112140 Ų14060%0.59978%0.779SS**  trans-7.1151.9164.6-46.913.4000119.9
288F30.3Very low36.6Very low193 Ų193141 Ų14185%0.84678%0.78SS**  cis-155.5160.141.3-82.5-88.4000114.7
289H36.2Very low37.1Very low148 Ų148144.9 Ų144.969%0.68579%0.785SS**  trans-71.1162.1167.6-141.9-121.2000110.5D291H289-D291 PolarHBondContact CE1-N 2.97Å
290P40Very low36.7Very low117 Ų117146.4 Ų146.476%0.7679%0.786SS**  cis-139.8138.141.338.3-17.6000120.5
291D32Very low36.7Very low118 Ų118145.3 Ų145.363%0.63178%0.777SS**  trans-86.2135.7158.5-76.5-35.5000112.1H289H289-D291 PolarHBondContact CE1-N 2.97Å
292E35Very low36.8Very low184 Ų184147 Ų14786%0.8678%0.777SS**  49.5133.7125.6-50.7-160.6137.400122
293A38.2Very low36.6Very low99 Ų99149.3 Ų149.382%0.81878%0.782SS**  trans-134.112515800000108.1
294E36.1Very low36.8Very low200 Ų200146.2 Ų146.294%0.93578%0.778SS**  trans-64.9149.3175.4-61.9162114.600111.2
295S35.2Very low36.9Very low114 Ų114143.8 Ų143.880%0.79778%0.779SS**  trans-155.6101.6153.8-162.40000109.6
296D41.1Very low36.9Very low152 Ų152142.3 Ų142.381%0.81378%0.776SS**  trans-63.6155.3142.4-78.8-41.1000108.7
297E43.9Very low37Very low179 Ų179142 Ų14284%0.83678%0.779SS**  trans176.5131.2130.2-98.3-178.9178.400110.7
298D43.3Very low37.2Very low158 Ų158145 Ų14585%0.84579%0.789SS**  trans-59.4146.6174.1-60-94.7000112.7
299N39.3Very low37.5Very low149 Ų149141.1 Ų141.180%0.79778%0.783SS**  trans-154.594.9153.3-96.1-71000111.4
300D38.3Very low37.3Very low160 Ų160139 Ų13986%0.85679%0.791SS**  trans-84.4121.3167.5-151.85.1000108.4
301V48.5Very low37.1Very low103 Ų103144.5 Ų144.562%0.62480%0.796SS**  trans-132.999179.6-174.10000111.2I303V301-I303 HydrophobicContact CG1-CD1 4.26Å; V301-I303 HydrophobicContact CG1-CG1 3.89Å
302V35.4Very low37.5Very low130 Ų130145.1 Ų145.179%0.78881%0.807SS**  trans-81.8125.6164.9177.80000108.8
303I41.8Very low37.2Very low152 Ų152141.9 Ų141.978%0.77980%0.8SS**  trans-118.2106.3165.6-55.1-173.6000109.1V301V301-I303 HydrophobicContact CG1-CD1 4.26Å; V301-I303 HydrophobicContact CG1-CG1 3.89Å
304E34.6Very low37Very low174 Ų174146.3 Ų146.381%0.81380%0.803SS**  trans-83.6134.4167.8-173.8174.5-158.600109.4
305G32.7Very low36.9Very low76 Ų76141 Ų14178%0.78479%0.794SS**  trans-151.812017900000111.3
306T31.5Very low37.5Very low108 Ų108141.9 Ų141.966%0.66380%0.797SS**  trans-116.1161.2-170.1-39.20000111.9
307L33.7Very low36.9Very low157 Ų157138.3 Ų138.382%0.82280%0.796SS**  trans78.2143.7170.6-45.4173000115.2
308E34.4Very low36.6Very low175 Ų175134.5 Ų134.582%0.81880%0.795SS**  cis-157.5170.5-18.5-123.6-132.8122.800107.9
309P36.5Very low36.8Very low110 Ų110132.9 Ų132.971%0.71479%0.793SS**PPolyproline II helixtrans-93.6140-168.235.7-31.9000115.3
310A31.8Very low36.5Very low103 Ų103130.7 Ų130.785%0.85180%0.796SS**PPolyproline II helixtrans-94.9133.3174.300000113.3
311R36.6Very low36.1Very low234 Ų234126.4 Ų126.488%0.88379%0.79SS**PPolyproline II helixtrans-84.7161.2171.4-66.4174.8171.5172-3.3112
312P39.3Very low35.3Very low130 Ų130127 Ų12784%0.84480%0.798SS**  trans-112.3160.5141.8-2.423.1000113.2
313T30Very low35.2Very low117 Ų117128.2 Ų128.272%0.71880%0.8SS**  trans-115.6142.5-169.839.10000114.8
314Q32.1Very low34.7Very low191 Ų191126.1 Ų126.189%0.89380%0.798SS**  trans66.6142.8144.4-68.1-177.6400122
315A35.3Very low34.6Very low89 Ų89129.1 Ų129.174%0.73680%0.802SS**  trans-94.5177.1169.300000111.4
316P46.4Very low34.7Very low133 Ų133132.1 Ų132.186%0.86481%0.805SS**  -141.3171.9100.538-25000112.4
317G29.8Very low34.7Very low77 Ų77134.6 Ų134.679%0.79481%0.814SS**  cis-178.8160.5-2.400000109.9
318A36.8Very low34.5Very low99 Ų99131 Ų13182%0.81882%0.815SS**  trans-93.8164.8176.800000111.9
319P48Very low34.3Very low124 Ų124127.9 Ų127.981%0.80582%0.819SS**  -144.1176.995.732.1-14.2000112.7
320A33.7Very low34.1Very low102 Ų102125.8 Ų125.884%0.84382%0.818SS**  cis166141.6-25.800000105.9
321G29.1Very low34.2Very low71 Ų71129.5 Ų129.573%0.73282%0.822SS**  trans138.295.9-177.400000111.6
322S31.9Very low34Very low115 Ų115122.5 Ų122.580%0.80481%0.814SS**  53.6121.965.1-114.10000111
323L33.1Very low33.7Very low156 Ų156125 Ų12582%0.81782%0.815SS**  cis-153.7175.115.7-78.2177.7000108.5
324S32.4Very low33.8Very low107 Ų107130.1 Ų130.175%0.74882%0.821SS**  cis-164.2177.5-1.831.80000111.9
325R31.4Very low33.9Very low238 Ų238128.3 Ų128.390%0.89882%0.816SS**  trans-35.1152.5165.6-60.7169.5167.9173.5-5.5117.6
326V35Very low33.8Very low139 Ų139131.3 Ų131.384%0.84282%0.815SS**  -175.7155.5107.3148.40000112.7
327N30.5Very low33.2Very low160 Ų160136.7 Ų136.786%0.85682%0.818SS**  trans-63.5165.3-176.8-50.2-35.6000116
328G29.5Very low33.3Very low81 Ų81139.3 Ų139.384%0.83581%0.814SS**  trans176113.3157.600000116
329A31.7Very low33.1Very low110 Ų110142.4 Ų142.491%0.90982%0.816SS**  trans-83.9173.2-175.200000116.3
330G31.1Very low32.4Very low66 Ų66140.1 Ų140.168%0.6881%0.807SS**  trans113.5112.5159.700000113.9
331L34.3Very low32.4Very low181 Ų181143.6 Ų143.695%0.94881%0.811SS**  72.712960.6-78.2175.6000117
332A32.8Very low32.5Very low86 Ų86148.1 Ų148.171%0.71182%0.819SS**  trans86.8124.5153.800000120.9
333Q32.1Very low32.5Very low183 Ų183146.1 Ų146.186%0.85582%0.816SS**  31.6143129.6-54.8178.5-3.800118.7
334R32.3Very low32.4Very low224 Ų224142 Ų14285%0.84581%0.812SS**  cis-173.3161.648.4-162.8174.7-179.9-173.90111.3
335L34.4Very low32.6Very low153 Ų153144.7 Ų144.780%0.80182%0.816SS**  trans-60.4150.7166.9-65.6150.5000112.6
336Q33.3Very low32.7Very low153 Ų153141.4 Ų141.472%0.71581%0.811SS**  176.7127.4118.5-139.985.410.400111.6
337R35Very low32.9Very low245 Ų245145.3 Ų145.393%0.92581%0.811SS**  174.6137.2119.2-101.7-179.7166.9145.3-1.5114.1
338D30.3Very low33.1Very low133 Ų133146 Ų14671%0.71181%0.814SS**  trans-80.9167.1175.4-51.9-90.9000113.8
339L33.9Very low33.2Very low163 Ų163149.5 Ų149.585%0.85381%0.812SS**  156.5109.6128-80.2166.1000108.6
340A31.6Very low33.2Very low76 Ų76149.8 Ų149.863%0.62881%0.808SS**  69.9101.385.900000112.5
341L35.1Very low33.2Very low175 Ų175151.1 Ų151.192%0.91681%0.807SS**  79.5106.191.8-78.9172.2000114.6
342D31.6Very low33.2Very low167 Ų167150 Ų15089%0.89380%0.801SS**  -162.8142122.2-144.15.7000107.9
343G31.3Very low33.1Very low73 Ų73157.4 Ų157.475%0.75381%0.81SS**  86.5130.386.400000111.3
344G31Very low33.2Very low70 Ų70152.5 Ų152.572%0.72280%0.801SS**  cis168.6148.6-6.500000111
345L35.6Very low33.2Very low162 Ų162149.1 Ų149.185%0.84880%0.8SS**  trans59.7113145.5-81.5175.8000122.4
346Q34.5Very low34Very low169 Ų169146.1 Ų146.179%0.7979%0.789SS**  145.8153.1115-80.5-82.715.700116.3
347R38.6Very low33.9Very low222 Ų222149 Ų14984%0.83879%0.794SS**  trans-82.9160.8179.6-64.5166.3160.8160.7-7.6112.2
348L34.5Very low33.9Very low175 Ų175146 Ų14692%0.91679%0.79SS**  -159.4162126.7-108.7159.6000112.2
349L31.3Very low34Very low153 Ų153144.9 Ų144.980%0.80179%0.793SS**  trans-111.6173.5-167.3-87.4161.8000112.2
350S32.3Very low34.2Very low117 Ų117145.2 Ų145.282%0.81880%0.795SS**  trans80155.6155.180.50000118
351S32.1Very low34.3Very low93 Ų93146.1 Ų146.165%0.6580%0.802SS**  cis-176.3164.3-27.9-174.10000108.6
352L33.6Very low34.7Very low158 Ų158146.1 Ų146.183%0.82780%0.802SS**  trans69.6155.1170.4-42.7177000114.6
353R31.7Very low35.4Very low241 Ų241143.7 Ų143.791%0.90980%0.795SS**  cis-153.5169.410-150.6174.6-174.1173.80.9110
354A32.6Very low35.9Very low81 Ų81146.5 Ų146.567%0.66980%0.8SS**  trans-101.5160.7-171.600000116.2
355D32.1Very low36.2Very low153 Ų153146.8 Ų146.882%0.81880%0.803SS**  trans68.2163.9145.9-91.3-23.6000121.1
356P51.2Low36.1Very low89 Ų89143 Ų14358%0.57880%0.803SS**  cis-144179.1-27.837.4-18.6000116.6
357R32.9Very low36.6Very low214 Ų214141.5 Ų141.581%0.80881%0.805SS**  trans93.9146.5151.5-64.3-171171.6120.32.7122.8
358H33.4Very low36.9Very low181 Ų181140.1 Ų140.184%0.83881%0.808SS**  trans72141.2173.3-59.8-78.4000116
359S32.2Very low37.6Very low110 Ų110140.7 Ų140.777%0.76981%0.807SS**  cis-146.4164.15.6-171.60000112
360L39.6Very low38.3Very low171 Ų171142.3 Ų142.390%0.89581%0.81SS**  trans-64.9134.6168.9-71.3157.1000111.9
361A32.6Very low39.4Very low95 Ų95139.6 Ų139.679%0.78580%0.8SS**  trans-157.8123.9157.400000110.5
362L44.3Very low40.2Very low175 Ų175141.1 Ų141.192%0.91681%0.808SS**PPolyproline II helixtrans-99.1131.8169.1-75.4165.9000109.4
363P45.8Very low40.7Very low115 Ų115136.7 Ų136.775%0.74779%0.794SS**PPolyproline II helixtrans-103.3149.6155.834.6-27.4000111.4
364P42.9Very low42.1Very low132 Ų132128.7 Ų128.786%0.85777%0.771SS**PPolyproline II helixtrans-90161.9-179.336.5-35.4000113
365G36.8Very low42.4Very low77 Ų77128.9 Ų128.979%0.79476%0.764SS**  trans95.374.5161.800000115.4V367G365-V367 PolarHBondContact O-N 3.07Å
366G32.3Very low43.1Very low82 Ų82122.7 Ų122.785%0.84573%0.731SS**  trans-76.2113.7164.400000110.9
367V45.1Very low42.7Very low137 Ų137124.4 Ų124.483%0.8374%0.739SS**  trans-77.2135.4153.1-82.70000108G365 E369G365-V367 PolarHBondContact O-N 3.07Å; V367-E369 PolarHBondContact O-N 2.94Å
368E46.6Very low43.2Very low193 Ų193119.6 Ų119.690%0.90274%0.735SS**  trans-67.4104.1-180-67.6-177113.700110.2
369E48.3Very low43.8Very low188 Ų188116.2 Ų116.288%0.87973%0.729SS**  trans-79.4122.9176-162176.5-165.900109.9V367 G371V367-E369 PolarHBondContact O-N 2.94Å; E369-G371 PolarHBondContact O-N 3.02Å; E369-G371 VanDerWaalsContact O-N 3.11Å
370H45.6Very low44.4Very low187 Ų187116.6 Ų116.687%0.86673%0.727SS**  trans-66.4110.4177.9-75.4-79.4000110.7
371G56.3Low44.7Very low60 Ų60113.2 Ų113.262%0.61972%0.717SS**PPolyproline II helixtrans-57.9153.5172.400000113E369 A373E369-G371 PolarHBondContact O-N 3.02Å; E369-G371 VanDerWaalsContact O-N 3.11Å; G371-A373 PolarHBondContact O-N 3.32Å
372P48.4Very low45.6Very low125 Ų125114.4 Ų114.481%0.81271%0.712SS**PPolyproline II helixtrans-64.6124-170.625.5-34.4000112.3
373A45.1Very low45.7Very low64 Ų64110.1 Ų110.153%0.52970%0.697SS.*PPolyproline II helixtrans-93.5118.1175.800000111G371G371-A373 PolarHBondContact O-N 3.32Å
374V60.5Low45.6Very low73 Ų73109.7 Ų109.744%0.44269%0.694SS.*PPolyproline II helixtrans-94.3138.1178.6-178.10000110.9Y173 T233Y173-V374 WeakPolarHBondContact CD1-O 3.43Å; Y173-V374 WeakPolarHBondContact CE1-O 3.45Å; T233-V374 HydrophobicContact CG2-CG1 4.31Å
375T38.1Very low45.9Very low85 Ų85107.8 Ų107.852%0.52168%0.68SS.*PPolyproline II helixtrans-85.1133.6-177.9-60.30000112.9Y173Y173-T375 VanDerWaalsContact CE1-CA 3.42Å; Y173-T375 HydrophobicContact CE1-CG2 4.33Å; Y173-T375 WeakPolarHBondContact CE1-OG1 3.33Å; Y173-T375 WeakPolarHBondContact OH-CG2 3.39Å; Y173-T375 PolarHBondContact OH-OG1 2.85Å; Y173-T375 VanDerWaalsContact OH-OG1 3.13Å
376L47.4Very low46.7Very low23 Ų23110.6 Ų110.612%0.1267%0.67CS.*  trans-119.40176.4-75.5175000112P169 L170 I174 T233 M236 I237P169-L376 WeakPolarHBondContact CB-O 3.44Å; P169-L376 WeakPolarHBondContact CB-OXT 3.32Å; L170-L376 PolarHBondContact N-OXT 3.28Å; I174-L376 HydrophobicContact CD1-CD1 4.25Å; I174-L376 HydrophobicContact CG1-CD1 3.96Å; T233-L376 HydrophobicContact CG2-CD2 3.59Å; T233-L376 HydrophobicContact CG2-CG 4.3Å; M236-L376 HydrophobicContact CB-CD2 4.37Å; M236-L376 HydrophobicContact SD-CD1 3.93Å; I237-L376 HydrophobicContact CD1-CD2 3.94Å; I237-L376 HydrophobicContact CG1-CD2 3.53Å

Retrieved 376 of 376 residues in 117.9 ms (Link to these results)