A0A087XJH0_POEFO Loading...

Estrogen-induced osteoclastogenesis regulator 1b

AlphaFold DB , UniProt , Accession A0A087XJH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 382 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
1M42.3Very low73.4Confident219 Ų219128.5 Ų128.5100%1.07963%0.628SS**  0139.70-60.7175.6-174.200108.3F3M1-F3 HydrophobicContact CB-CE2 4.46Å
2A46.9Very low75.2Confident100 Ų100117.9 Ų117.983%0.82658%0.577SS**  trans-90.2103.4173.500000109.7L4A2-L4 PolarHBondContact O-N 2.88Å
3F55.6Low76.7Confident174 Ų174111.7 Ų111.776%0.76355%0.546SS*.  trans-73.1111.4172.8-79.4-88.1000109.6M1 I5M1-F3 HydrophobicContact CB-CE2 4.46Å; F3-I5 VanDerWaalsContact C-N 3.34Å; F3-I5 PolarHBondContact O-N 2.94Å
4L62.6Low78Confident174 Ų174103.7 Ų103.791%0.91151%0.507SS*.  trans-70.988.3172.4-77.2166.6000109.8A2 K6A2-L4 PolarHBondContact O-N 2.88Å; L4-K6 PolarHBondContact O-N 3.02Å
5I72.3Confident79.2Confident115 Ų115102.7 Ų102.759%0.5950%0.5SS*.  trans-68100.3-179.5-45.9179.2000109.5F3 K7 P74F3-I5 VanDerWaalsContact C-N 3.34Å; F3-I5 PolarHBondContact O-N 2.94Å; I5-K7 PolarHBondContact O-N 2.94Å; I5-P74 HydrophobicContact CB-CB 4.48Å; I5-P74 HydrophobicContact CB-CG 4.37Å; I5-P74 HydrophobicContact CG2-CB 3.64Å; I5-P74 HydrophobicContact CG2-CG 4.05Å
6K77Confident80.2Confident187 Ų18796.3 Ų96.381%0.81347%0.469SS*.  trans-61.1115.3179.3-172.9175.2-177.7176.80109.9L4 K8L4-K6 PolarHBondContact O-N 3.02Å; K6-K8 PolarHBondContact O-N 2.7Å
7K82.3Confident81.2Confident94 Ų9492 Ų9241%0.40945%0.45SS..  trans-47.5130.9174.7-82.6-162.5166.4-166.70110.8I5 D80I5-K7 PolarHBondContact O-N 2.94Å; K7-D80 IonicContact NZ-OD1 2.7Å; K7-D80 PolarHBondContact NZ-OD1 2.54Å; K7-D80 IonicContact NZ-OD2 2.76Å; K7-D80 PolarHBondContact NZ-OD2 2.81Å
8K88.8Confident82.1Confident83 Ų8386.9 Ų86.936%0.36143%0.425SS..  trans-57.4140.4167.6-69.1-168.2-176.4-174.70108.4K6 F10 S71 A72 D150 C152K6-K8 PolarHBondContact O-N 2.7Å; K8-F10 HydrophobicContact CB-CE1 4.47Å; K8-F10 HydrophobicContact CB-CE2 3.62Å; K8-F10 HydrophobicContact CB-CZ 3.48Å; K8-F10 VanDerWaalsContact CB-CZ 3.48Å; K8-F10 HydrophobicContact CD-CZ 3.9Å; K8-F10 HydrophobicContact CG-CZ 4.35Å; K8-S71 CarbonylContact O-C 3.6Å; K8-S71 WeakPolarHBondContact O-CA 3.2Å; K8-S71 WeakPolarHBondContact O-CB 3.5Å; K8-A72 PolarHBondContact O-N 3.13Å; K8-A72 VanDerWaalsContact O-N 3.1Å; K8-D150 IonicContact NZ-OD2 2.65Å; K8-D150 PolarHBondContact NZ-OD2 3.39Å; K8-C152 PolarHBondContact NZ-O 3.32Å
9K91.6Very high82.9Confident161 Ų16184.9 Ų84.970%0.742%0.415SS*.EExtended strand (participates in β ladder)trans-120.3141.1179.2-65.5-170.8177.9-171.30110
10F93.9Very high83.6Confident4 Ų482.3 Ų82.32%0.01840%0.401CS..EExtended strand (participates in β ladder)trans-132.6152.9-176.5-47.5-93.4000109.4K8 F12 K69 M70 A72 L79 L146 S148 D150 F153K8-F10 HydrophobicContact CB-CE1 4.47Å; K8-F10 HydrophobicContact CB-CE2 3.62Å; K8-F10 HydrophobicContact CB-CZ 3.48Å; K8-F10 VanDerWaalsContact CB-CZ 3.48Å; K8-F10 HydrophobicContact CD-CZ 3.9Å; K8-F10 HydrophobicContact CG-CZ 4.35Å; F10-F12 HydrophobicContact CB-CD2 4.24Å; F10-F12 HydrophobicContact CB-CE2 3.6Å; F10-F12 HydrophobicContact CB-CZ 4.2Å; F10-F12 HydrophobicContact CG-CE2 4.33Å; F10-K69 CarbonylContact O-C 3.59Å; F10-K69 WeakPolarHBondContact O-CA 3.24Å; F10-M70 PolarHBondContact N-O 3.38Å; F10-M70 PolarHBondContact O-N 3.3Å; F10-A72 HydrophobicContact CE2-CB 3.49Å; F10-A72 VanDerWaalsContact CE2-CB 3.49Å; F10-A72 HydrophobicContact CZ-CB 3.96Å; F10-L79 HydrophobicContact CD2-CD2 3.61Å; F10-L79 HydrophobicContact CE2-CD2 3.84Å; F10-L79 HydrophobicContact CG-CD2 4.11Å; F10-L79 HydrophobicContact CZ-CD2 4.46Å; F10-L146 HydrophobicContact CB-CD1 4.4Å; F10-L146 HydrophobicContact CD1-CD1 4.46Å; F10-S148 CarbonylContact C-O 3.59Å; F10-S148 VanDerWaalsContact CA-O 3.29Å; F10-S148 WeakPolarHBondContact CA-O 3.45Å; F10-D150 HydrophobicContact CE1-CB 4.49Å; F10-D150 VanDerWaalsContact CE1-O 3.25Å; F10-D150 WeakPolarHBondContact CE1-O 3.18Å; F10-F153 HydrophobicContact CD1-CD1 4.35Å; F10-F153 HydrophobicContact CE1-CB 3.96Å; F10-F153 HydrophobicContact CE1-CD1 4.25Å; F10-F153 HydrophobicContact CE1-CG 4.48Å; F10-F153 HydrophobicContact CZ-CB 4.01Å
11K94.3Very high84.2Confident102 Ų10278.4 Ų78.444%0.44338%0.383SS..EExtended strand (participates in β ladder)trans-126.6131.3165.8-57.9178.9-160.1164.30107.9V67 C68 K69 L147 S148K11-V67 HydrophobicContact CB-CG1 4.37Å; K11-C68 CarbonylContact C-O 3.59Å; K11-C68 VanDerWaalsContact CA-O 3.27Å; K11-C68 WeakPolarHBondContact CA-O 3.17Å; K11-K69 HydrophobicContact CG-CG 4.45Å; K11-L147 HydrophobicContact CB-CB 4.24Å; K11-L147 PolarHBondContact O-N 2.96Å; K11-S148 WeakPolarHBondContact CB-OG 3.43Å; K11-S148 VanDerWaalsContact CD-OG 3.27Å; K11-S148 WeakPolarHBondContact CD-OG 3.21Å; K11-S148 VanDerWaalsContact CG-OG 3.24Å; K11-S148 WeakPolarHBondContact CG-OG 3.38Å; K11-S148 PolarHBondContact N-O 2.8Å; K11-S148 PolarHBondContact O-N 2.85Å
12F94.7Very high86.7Confident2 Ų270.2 Ų70.21%0.00935%0.345CS..EExtended strand (participates in β ladder)trans-119.9139.8174.3-63.3-88.6000109.4F10 V67 C68 M70 L79 A112 M144 T145 L146 F153F10-F12 HydrophobicContact CB-CD2 4.24Å; F10-F12 HydrophobicContact CB-CE2 3.6Å; F10-F12 HydrophobicContact CB-CZ 4.2Å; F10-F12 HydrophobicContact CG-CE2 4.33Å; F12-V67 WeakPolarHBondContact O-CA 3.39Å; F12-C68 PolarHBondContact N-O 2.72Å; F12-C68 PolarHBondContact O-N 2.71Å; F12-M70 HydrophobicContact CD2-CG 4.24Å; F12-M70 HydrophobicContact CD2-SD 3.65Å; F12-M70 HydrophobicContact CE2-CB 4.34Å; F12-M70 HydrophobicContact CE2-CG 4.41Å; F12-M70 HydrophobicContact CE2-SD 3.65Å; F12-L79 HydrophobicContact CE2-CD1 4.25Å; F12-L79 HydrophobicContact CE2-CD2 4.3Å; F12-L79 HydrophobicContact CZ-CD1 4.2Å; F12-A112 HydrophobicContact CE1-CB 3.98Å; F12-A112 HydrophobicContact CE2-CB 4.49Å; F12-A112 HydrophobicContact CZ-CB 3.93Å; F12-M144 HydrophobicContact CB-CE 3.54Å; F12-M144 HydrophobicContact CD1-CE 3.82Å; F12-M144 HydrophobicContact CD2-CE 3.78Å; F12-M144 HydrophobicContact CE1-CE 4.45Å; F12-M144 HydrophobicContact CE2-CE 4.41Å; F12-M144 HydrophobicContact CG-CE 3.44Å; F12-M144 VanDerWaalsContact CG-CE 3.44Å; F12-T145 CarbonylContact C-O 3.54Å; F12-T145 VanDerWaalsContact CA-O 3.25Å; F12-T145 WeakPolarHBondContact CA-O 3.03Å; F12-L146 HydrophobicContact CD1-CB 4.09Å; F12-L146 HydrophobicContact CD1-CD1 4.01Å; F12-L146 HydrophobicContact CE1-CB 3.96Å; F12-L146 HydrophobicContact CE1-CD1 3.59Å; F12-L146 HydrophobicContact CE1-CG 4.35Å; F12-L146 HydrophobicContact CE2-CD1 4.42Å; F12-L146 HydrophobicContact CZ-CD1 3.82Å; F12-F153 AromaticContact CE1-CE1 3.95Å; F12-F153 HydrophobicContact CE1-CE1 3.95Å; F12-F153 AromaticContact CE1-CZ 3.81Å; F12-F153 HydrophobicContact CE1-CZ 3.81Å; F12-F153 HydrophobicContact CZ-CD1 4.31Å; F12-F153 AromaticContact CZ-CE1 3.79Å; F12-F153 HydrophobicContact CZ-CE1 3.79Å; F12-F153 HydrophobicContact CZ-CE2 4.24Å; F12-F153 AromaticContact CZ-CZ 3.76Å; F12-F153 HydrophobicContact CZ-CZ 3.76Å
13Q95.1Very high88.9Confident37 Ų3768.2 Ų68.217%0.17333%0.328CS..EExtended strand (participates in β ladder)trans-77.5123.8157.3-168.764.326.600107S65 V67 M144 T145 L147Q13-S65 PolarHBondContact NE2-OG 3.29Å; Q13-V67 VanDerWaalsContact OE1-CG2 3.32Å; Q13-M144 WeakPolarHBondContact O-CA 3.04Å; Q13-T145 PolarHBondContact N-O 2.85Å; Q13-T145 PolarHBondContact O-N 3.13Å; Q13-L147 HydrophobicContact CB-CD1 3.95Å; Q13-L147 HydrophobicContact CB-CD2 4.15Å; Q13-L147 HydrophobicContact CB-CG 4.01Å
14V94.9Very high90.7Very high0 Ų060 Ų600%029%0.292CS..EExtended strand (participates in β ladder)trans-101.9123.5173.6-173.30000107.7F16 S65 F66 C68 I108 I142 M144V14-F16 HydrophobicContact CG1-CB 4.44Å; V14-S65 WeakPolarHBondContact O-CA 3.38Å; V14-F66 HydrophobicContact CB-CD2 4.04Å; V14-F66 HydrophobicContact CB-CE1 4.27Å; V14-F66 HydrophobicContact CB-CE2 3.75Å; V14-F66 HydrophobicContact CB-CG 4.42Å; V14-F66 HydrophobicContact CB-CZ 3.88Å; V14-F66 HydrophobicContact CG1-CE1 4.11Å; V14-F66 HydrophobicContact CG1-CE2 4.04Å; V14-F66 HydrophobicContact CG1-CZ 3.69Å; V14-F66 HydrophobicContact CG2-CD2 4.23Å; V14-F66 HydrophobicContact CG2-CE2 3.85Å; V14-F66 HydrophobicContact CG2-CZ 4.37Å; V14-F66 PolarHBondContact N-O 3.1Å; V14-F66 PolarHBondContact O-N 2.6Å; V14-C68 HydrophobicContact CG2-CB 3.7Å; V14-I108 HydrophobicContact CG2-CD1 3.96Å; V14-I142 HydrophobicContact CG1-CG2 4.42Å; V14-M144 HydrophobicContact CG2-CE 4.46Å; V14-M144 HydrophobicContact CG2-CG 4.39Å
15H95.7Very high91.9Very high88 Ų8855.5 Ų55.541%0.40727%0.273SS..EExtended strand (participates in β ladder)trans-102.3112.7167.9-59.4-67.6000106.9S65 G143H15-S65 PolarHBondContact ND1-OG 3.08Å; H15-G143 PolarHBondContact N-O 3.35Å; H15-G143 PolarHBondContact O-N 2.72Å
16F95.8Very high92.4Very high1 Ų152.2 Ų52.20%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-119.8122.7-174.5-172.9-76.7000108.8V14 L18 V35 R63 F64 F66 V86 V140 I142V14-F16 HydrophobicContact CG1-CB 4.44Å; F16-L18 HydrophobicContact CE1-CB 4.41Å; F16-V35 HydrophobicContact CE1-CG1 4.41Å; F16-V35 HydrophobicContact CE1-CG2 4.33Å; F16-R63 CarbonylContact O-C 3.51Å; F16-F64 HydrophobicContact CB-CB 4.44Å; F16-F64 HydrophobicContact CD1-CD2 4.1Å; F16-F64 PolarHBondContact N-O 3.05Å; F16-F64 PolarHBondContact O-N 3.1Å; F16-F66 HydrophobicContact CB-CE1 3.99Å; F16-V86 HydrophobicContact CE1-CG2 4.19Å; F16-V86 HydrophobicContact CZ-CG2 3.63Å; F16-V140 HydrophobicContact CE1-CB 4.15Å; F16-V140 HydrophobicContact CE1-CG1 3.96Å; F16-V140 HydrophobicContact CE2-CB 4.43Å; F16-V140 HydrophobicContact CE2-CG2 4.3Å; F16-V140 HydrophobicContact CZ-CB 3.83Å; F16-V140 HydrophobicContact CZ-CG1 3.73Å; F16-V140 HydrophobicContact CZ-CG2 4.05Å; F16-I142 HydrophobicContact CD2-CD1 4.36Å; F16-I142 HydrophobicContact CD2-CG1 3.86Å; F16-I142 HydrophobicContact CE2-CD1 4.09Å; F16-I142 HydrophobicContact CE2-CG1 3.98Å
17V97.1Very high92.6Very high23 Ų2347.6 Ų47.614%0.13924%0.242CC..EExtended strand (participates in β ladder)trans-109.9123.8174.4-159.10000108.5E19 R63 V140 T141V17-E19 VanDerWaalsContact CB-OE1 3.28Å; V17-E19 WeakPolarHBondContact CB-OE1 3.27Å; V17-E19 VanDerWaalsContact CG1-CD 3.4Å; V17-E19 HydrophobicContact CG1-CG 4.45Å; V17-E19 VanDerWaalsContact CG1-OE1 3.3Å; V17-E19 WeakPolarHBondContact CG1-OE1 3.26Å; V17-E19 WeakPolarHBondContact CG1-OE2 3.49Å; V17-R63 HydrophobicContact CB-CG 4.42Å; V17-R63 HydrophobicContact CG1-CG 3.82Å; V17-R63 HydrophobicContact CG2-CG 4Å; V17-V140 CarbonylContact O-C 3.54Å; V17-V140 WeakPolarHBondContact O-CA 3.44Å; V17-V140 VanDerWaalsContact O-CB 3.31Å; V17-V140 WeakPolarHBondContact O-CB 3.27Å; V17-T141 PolarHBondContact N-O 2.9Å; V17-T141 PolarHBondContact O-N 2.82Å
18L97.1Very high92.8Very high0 Ų049.3 Ų49.30%026%0.256CS..EExtended strand (participates in β ladder)trans-88.2100167.1177.276.6000107.3F16 C33 W60 G61 K62 F64 V86 L138 V140F16-L18 HydrophobicContact CE1-CB 4.41Å; L18-C33 HydrophobicContact CD1-CB 4.27Å; L18-C33 HydrophobicContact CD2-CB 3.56Å; L18-W60 HydrophobicContact CD1-CE3 4.09Å; L18-W60 HydrophobicContact CD1-CZ3 4.3Å; L18-W60 HydrophobicContact CD2-CB 3.86Å; L18-W60 HydrophobicContact CD2-CD2 3.68Å; L18-W60 HydrophobicContact CD2-CE3 3.72Å; L18-W60 HydrophobicContact CD2-CG 3.76Å; L18-W60 HydrophobicContact CD2-CZ3 4.47Å; L18-W60 HydrophobicContact CG-CB 4.2Å; L18-W60 HydrophobicContact CG-CD2 4.12Å; L18-W60 HydrophobicContact CG-CE3 3.66Å; L18-W60 HydrophobicContact CG-CG 4.37Å; L18-W60 HydrophobicContact CG-CZ3 4.36Å; L18-G61 CarbonylContact O-C 3.53Å; L18-G61 WeakPolarHBondContact O-CA 3.49Å; L18-G61 PolarHBondContact O-N 2.84Å; L18-G61 VanDerWaalsContact O-N 3.08Å; L18-K62 HydrophobicContact CB-CB 4.38Å; L18-K62 PolarHBondContact N-O 3.03Å; L18-K62 PolarHBondContact O-N 3.06Å; L18-F64 HydrophobicContact CB-CE2 3.94Å; L18-F64 HydrophobicContact CD2-CE2 4.47Å; L18-V86 HydrophobicContact CD1-CG1 4.03Å; L18-L138 HydrophobicContact CD1-CD1 3.87Å; L18-V140 HydrophobicContact CD1-CG1 4.17Å
19E97.2Very high92.9Very high50 Ų5046.5 Ų46.523%0.23425%0.251CS..EExtended strand (participates in β ladder)trans-77.9-74.5-173.8-51.5-64-177.100109.7V17 W60 G61 E139 T141V17-E19 VanDerWaalsContact CB-OE1 3.28Å; V17-E19 WeakPolarHBondContact CB-OE1 3.27Å; V17-E19 VanDerWaalsContact CG1-CD 3.4Å; V17-E19 HydrophobicContact CG1-CG 4.45Å; V17-E19 VanDerWaalsContact CG1-OE1 3.3Å; V17-E19 WeakPolarHBondContact CG1-OE1 3.26Å; V17-E19 WeakPolarHBondContact CG1-OE2 3.49Å; E19-W60 PolarHBondContact O-N 3.23Å; E19-G61 PolarHBondContact O-N 3.01Å; E19-G61 VanDerWaalsContact O-N 3.1Å; E19-E139 HydrophobicContact CB-CB 4.41Å; E19-E139 HydrophobicContact CB-CG 4.38Å; E19-E139 HydrophobicContact CG-CG 4.46Å; E19-E139 PolarHBondContact N-O 2.87Å; E19-E139 VanDerWaalsContact N-O 3.11Å; E19-T141 VanDerWaalsContact OE1-CB 3.24Å; E19-T141 WeakPolarHBondContact OE1-CB 3.16Å; E19-T141 PolarHBondContact OE1-OG1 3.04Å
20E96.9Very high93Very high32 Ų3240.5 Ų40.515%0.1523%0.227CC..EExtended strand (participates in β ladder)trans-155.3170.4-175.462.1-175.2-98.700114.1T22 C57 V58 R59 E139E20-T22 HydrophobicContact CG-CG2 4.32Å; E20-T22 VanDerWaalsContact OE1-CG2 3.28Å; E20-T22 WeakPolarHBondContact OE1-CG2 3.19Å; E20-C57 PolarHBondContact OE1-SG 2.76Å; E20-V58 CarbonylContact C-O 3.5Å; E20-V58 WeakPolarHBondContact CA-O 3.02Å; E20-V58 VanDerWaalsContact CB-O 3.25Å; E20-V58 WeakPolarHBondContact CB-O 3.31Å; E20-R59 HydrophobicContact CB-CB 4.2Å; E20-R59 HydrophobicContact CB-CG 4.04Å; E20-R59 IonicContact OE1-NE 2.76Å; E20-R59 IonicContact OE2-CZ 3.88Å; E20-R59 IonicContact OE2-NE 2.9Å; E20-R59 PolarHBondContact OE2-NE 3.42Å; E20-R59 IonicContact OE2-NH2 3.63Å; E20-R59 PolarHBondContact OE2-NH2 2.89Å; E20-E139 HydrophobicContact CG-CB 4.39Å; E20-E139 PolarHBondContact N-O 3Å; E20-E139 PolarHBondContact O-N 2.9Å
21L96.3Very high93.1Very high1 Ų140.3 Ų40.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-127.4109.9171.5177.472.4000108.4V24 L31 C57 V58 W60 V88 L123 I137 L138L21-V24 HydrophobicContact CD2-CG2 3.92Å; L21-V24 HydrophobicContact CG-CG2 3.98Å; L21-L31 HydrophobicContact CD2-CD1 3.92Å; L21-C57 CarbonylContact O-C 3.43Å; L21-C57 VanDerWaalsContact O-CA 3.26Å; L21-C57 WeakPolarHBondContact O-CA 3.4Å; L21-C57 PolarHBondContact O-SG 3.28Å; L21-V58 PolarHBondContact N-O 2.92Å; L21-V58 PolarHBondContact O-N 3.18Å; L21-W60 HydrophobicContact CB-CH2 3.59Å; L21-W60 HydrophobicContact CB-CZ3 3.57Å; L21-W60 HydrophobicContact CD2-CH2 4.2Å; L21-V88 HydrophobicContact CD2-CG1 3.8Å; L21-V88 HydrophobicContact CD2-CG2 4.48Å; L21-L123 HydrophobicContact CD1-CD1 3.8Å; L21-L123 HydrophobicContact CD1-CD2 4.35Å; L21-L123 HydrophobicContact CD1-CG 4.01Å; L21-L123 HydrophobicContact CD2-CD1 4.11Å; L21-I137 WeakPolarHBondContact CA-O 3.45Å; L21-L138 HydrophobicContact CB-CD1 4.29Å; L21-L138 HydrophobicContact CD1-CB 3.95Å; L21-L138 HydrophobicContact CD1-CD1 4.18Å
22T95.5Very high93.2Very high46 Ų4636 Ų3628%0.28221%0.208SC..EExtended strand (participates in β ladder)trans-95.2169.8178.959.10000111.6E20 V24 S136 I137E20-T22 HydrophobicContact CG-CG2 4.32Å; E20-T22 VanDerWaalsContact OE1-CG2 3.28Å; E20-T22 WeakPolarHBondContact OE1-CG2 3.19Å; T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 3.24Å; T22-S136 CarbonylContact O-C 3.54Å; T22-S136 WeakPolarHBondContact O-CA 3.24Å; T22-S136 VanDerWaalsContact O-CB 3.23Å; T22-S136 WeakPolarHBondContact O-CB 3.4Å; T22-I137 PolarHBondContact N-O 3.39Å; T22-I137 PolarHBondContact O-N 3.43Å; T22-I137 PolarHBondContact OG1-O 3.36Å
23A93.3Very high93.3Very high58 Ų5835.9 Ų35.948%0.47921%0.207SC..  trans5541.6179.800000113.9N56 S136A23-N56 PolarHBondContact N-O 3.17Å; A23-N56 VanDerWaalsContact N-O 3.13Å; A23-S136 WeakPolarHBondContact O-CA 3.25Å; A23-S136 PolarHBondContact O-OG 2.97Å
24V91.9Very high93.3Very high2 Ų237.3 Ų37.31%0.01221%0.213CC..  trans-71.9123.9171.4-1770000109.2L21 T22 F26 L31 V53 N56 S136L21-V24 HydrophobicContact CD2-CG2 3.92Å; L21-V24 HydrophobicContact CG-CG2 3.98Å; T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 3.24Å; V24-F26 HydrophobicContact CG1-CD1 4.24Å; V24-F26 HydrophobicContact CG1-CD2 3.93Å; V24-F26 HydrophobicContact CG1-CE1 3.91Å; V24-F26 HydrophobicContact CG1-CE2 3.58Å; V24-F26 HydrophobicContact CG1-CG 4.24Å; V24-F26 HydrophobicContact CG1-CZ 3.54Å; V24-F26 PolarHBondContact O-N 2.97Å; V24-L31 HydrophobicContact CG1-CD1 4.34Å; V24-L31 HydrophobicContact CG2-CD1 4.4Å; V24-V53 HydrophobicContact CB-CG1 4.16Å; V24-V53 HydrophobicContact CG1-CG1 4.15Å; V24-V53 HydrophobicContact CG1-CG2 4Å; V24-N56 WeakPolarHBondContact CB-O 3.43Å; V24-N56 PolarHBondContact N-O 2.93Å; V24-N56 WeakPolarHBondContact O-CB 3.13Å; V24-S136 WeakPolarHBondContact CA-OG 3.43Å
25P87.7Confident93.3Very high79 Ų7937.3 Ų37.351%0.51321%0.213SC..SBendtrans-79.212.9-169.130.9-35.7000115.1D134P25-D134 HydrophobicContact CG-CB 4.31Å; P25-D134 WeakPolarHBondContact CG-OD1 3.49Å
26F84.6Confident93.1Very high47 Ų4737.4 Ų37.421%0.20621%0.209CC..  trans-144.1138177.249.7-97.2000110.3V24 N28 L31 V53 K90 L101V24-F26 HydrophobicContact CG1-CD1 4.24Å; V24-F26 HydrophobicContact CG1-CD2 3.93Å; V24-F26 HydrophobicContact CG1-CE1 3.91Å; V24-F26 HydrophobicContact CG1-CE2 3.58Å; V24-F26 HydrophobicContact CG1-CG 4.24Å; V24-F26 HydrophobicContact CG1-CZ 3.54Å; V24-F26 PolarHBondContact O-N 2.97Å; F26-N28 WeakPolarHBondContact CD2-O 3.44Å; F26-L31 HydrophobicContact CE2-CD2 4.16Å; F26-L31 HydrophobicContact CZ-CD1 4.49Å; F26-L31 HydrophobicContact CZ-CD2 4.07Å; F26-V53 HydrophobicContact CD2-CG2 4.2Å; F26-V53 HydrophobicContact CE2-CG2 3.8Å; F26-V53 WeakPolarHBondContact O-CG1 3.43Å; F26-K90 HydrophobicContact CE1-CD 4.35Å; F26-K90 HydrophobicContact CE2-CD 3.85Å; F26-K90 HydrophobicContact CZ-CD 3.72Å; F26-L101 HydrophobicContact CE1-CD1 4.37Å; F26-L101 HydrophobicContact CE1-CD2 4.48Å; F26-L101 HydrophobicContact CZ-CD1 3.9Å
27V80.1Confident92.9Very high90 Ų9038.2 Ų38.255%0.54521%0.214SC..SBendtrans-76.2-23.9179.1-65.20000113.8N56V27-N56 WeakPolarHBondContact CG1-OD1 3.46Å
28N85.8Confident92.4Very high130 Ų13040 Ų4070%0.69523%0.225SC*.SBendtrans-112.7120.4-173-73.4-23.1000112.6F26 K90F26-N28 WeakPolarHBondContact CD2-O 3.44Å; N28-K90 PolarHBondContact O-NZ 2.63Å
29G90.9Very high91.3Very high24 Ų2444.4 Ų44.425%0.24725%0.248CC..  trans162.4160.2171.700000113.4E52 V53G29-E52 WeakPolarHBondContact O-CA 3.2Å; G29-V53 PolarHBondContact O-N 3.13Å
30V95.3Very high89.7Confident34 Ų3443.6 Ų43.621%0.20625%0.253CS..EExtended strand (participates in β ladder)trans-104.3125169.4171.50000108.4R50 E51 E52 E91V30-R50 HydrophobicContact CG1-CB 3.64Å; V30-R50 HydrophobicContact CG1-CG 4.14Å; V30-E51 CarbonylContact C-O 3.48Å; V30-E51 WeakPolarHBondContact CA-O 3.5Å; V30-E52 HydrophobicContact CG2-CG 3.75Å; V30-E91 HydrophobicContact CB-CB 4.06Å; V30-E91 HydrophobicContact CG1-CB 4.24Å; V30-E91 WeakPolarHBondContact O-CB 3.31Å; V30-E91 PolarHBondContact O-N 3.48Å
31L95.5Very high88.3Confident0 Ų044 Ų440%027%0.266CS..EExtended strand (participates in β ladder)trans-113147.1178.5-54.8-166.2000112L21 V24 F26 E51 V53 V58 W60 V88 R89 K90 L101L21-L31 HydrophobicContact CD2-CD1 3.92Å; V24-L31 HydrophobicContact CG1-CD1 4.34Å; V24-L31 HydrophobicContact CG2-CD1 4.4Å; F26-L31 HydrophobicContact CE2-CD2 4.16Å; F26-L31 HydrophobicContact CZ-CD1 4.49Å; F26-L31 HydrophobicContact CZ-CD2 4.07Å; L31-E51 PolarHBondContact N-O 2.88Å; L31-E51 PolarHBondContact O-N 3.19Å; L31-V53 HydrophobicContact CD1-CG2 4.24Å; L31-V53 HydrophobicContact CG-CG2 4.06Å; L31-V58 HydrophobicContact CB-CG1 4.38Å; L31-V58 HydrophobicContact CB-CG2 4.12Å; L31-V58 HydrophobicContact CD1-CG2 3.78Å; L31-V58 HydrophobicContact CG-CG2 3.94Å; L31-W60 HydrophobicContact CB-CZ2 4.01Å; L31-W60 PolarHBondContact O-NE1 3.42Å; L31-V88 HydrophobicContact CD1-CG1 4.34Å; L31-R89 WeakPolarHBondContact CA-O 3.45Å; L31-K90 HydrophobicContact CD2-CB 3.61Å; L31-K90 HydrophobicContact CD2-CD 4.31Å; L31-K90 HydrophobicContact CD2-CG 3.78Å; L31-L101 HydrophobicContact CD1-CD1 3.98Å; L31-L101 HydrophobicContact CD2-CD1 3.75Å
32F96.3Very high86.7Confident12 Ų1251.1 Ų51.15%0.05330%0.304CS..EExtended strand (participates in β ladder)trans-144147.817068.8-81.2000110.9K34 S49 R50 R89 Y98F32-K34 HydrophobicContact CD2-CG 4.47Å; F32-K34 HydrophobicContact CE2-CG 4.28Å; F32-S49 WeakPolarHBondContact CB-O 3.26Å; F32-R50 HydrophobicContact CB-CG 4.06Å; F32-R50 HydrophobicContact CD1-CG 4.33Å; F32-R50 HydrophobicContact CG-CG 4.39Å; F32-R89 HydrophobicContact CD1-CB 4.2Å; F32-R89 HydrophobicContact CD2-CB 4.41Å; F32-R89 HydrophobicContact CE1-CB 3.78Å; F32-R89 HydrophobicContact CE2-CB 4.02Å; F32-R89 HydrophobicContact CE2-CG 4.42Å; F32-R89 HydrophobicContact CZ-CB 3.68Å; F32-R89 HydrophobicContact CZ-CG 4.36Å; F32-R89 PolarHBondContact N-O 2.95Å; F32-R89 PolarHBondContact O-N 2.81Å; F32-Y98 HydrophobicContact CZ-CD1 4.45Å; F32-Y98 HydrophobicContact CZ-CG 4.16Å
33C96.4Very high85.3Confident0 Ų050.3 Ų50.30%030%0.297CS..EExtended strand (participates in β ladder)trans-99.9149.8176.7-70.80000111.2L18 S47 S48 W60 V86 S87L18-C33 HydrophobicContact CD1-CB 4.27Å; L18-C33 HydrophobicContact CD2-CB 3.56Å; C33-S47 VanDerWaalsContact O-CA 3.27Å; C33-S47 WeakPolarHBondContact O-CA 3.25Å; C33-S48 PolarHBondContact N-OG 2.75Å; C33-S48 PolarHBondContact O-N 3.31Å; C33-W60 WeakPolarHBondContact SG-CH2 3.37Å; C33-V86 HydrophobicContact CB-CG1 3.94Å; C33-S87 CarbonylContact C-O 3.58Å; C33-S87 WeakPolarHBondContact CA-O 3.34Å
34K95.1Very high83.9Confident66 Ų6651.8 Ų51.829%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-117.2117160.8-66.6-152.9174-152.20109.7F32 I45 S46 S87F32-K34 HydrophobicContact CD2-CG 4.47Å; F32-K34 HydrophobicContact CE2-CG 4.28Å; K34-I45 HydrophobicContact CB-CG2 3.95Å; K34-I45 HydrophobicContact CD-CG2 3.85Å; K34-I45 HydrophobicContact CG-CG2 4.44Å; K34-S46 CarbonylContact C-O 3.46Å; K34-S46 WeakPolarHBondContact CA-O 3.41Å; K34-S87 PolarHBondContact N-O 2.76Å; K34-S87 WeakPolarHBondContact O-CB 3.5Å; K34-S87 PolarHBondContact O-N 2.67Å
35V94.8Very high83.3Confident0 Ų056.8 Ų56.80%033%0.329CS..EExtended strand (participates in β ladder)trans-92.4131.2174.7-169.80000108.1F16 F43 S46 F64 C84 V86F16-V35 HydrophobicContact CE1-CG1 4.41Å; F16-V35 HydrophobicContact CE1-CG2 4.33Å; V35-F43 HydrophobicContact CB-CE1 4.41Å; V35-F43 HydrophobicContact CG1-CE1 4.1Å; V35-S46 PolarHBondContact N-O 2.82Å; V35-S46 PolarHBondContact O-N 3.05Å; V35-F64 HydrophobicContact CG2-CD2 4.35Å; V35-F64 HydrophobicContact CG2-CE2 3.9Å; V35-F64 HydrophobicContact CG2-CZ 4.05Å; V35-C84 VanDerWaalsContact CG1-SG 3.56Å; V35-V86 HydrophobicContact CG2-CG1 4.48Å; V35-V86 HydrophobicContact CG2-CG2 4.42Å
36R92.5Very high83.3Confident90 Ų9054.4 Ų54.434%0.3431%0.314SS..EExtended strand (participates in β ladder)trans-136.9146.1172.866.4176.8-170.2169.86110.2I45 C84 R85R36-I45 HydrophobicContact CB-CG1 4.14Å; R36-I45 HydrophobicContact CB-CG2 4.5Å; R36-C84 CarbonylContact O-C 3.6Å; R36-C84 WeakPolarHBondContact O-CA 3.22Å; R36-C84 PolarHBondContact O-SG 2.86Å; R36-C84 VanDerWaalsContact O-SG 3.42Å; R36-R85 HydrophobicContact CG-CB 3.87Å; R36-R85 PolarHBondContact N-O 3.03Å; R36-R85 PolarHBondContact O-N 3.46Å
37L91.3Very high83.7Confident18 Ų1855.1 Ų55.19%0.09433%0.325CS..EExtended strand (participates in β ladder)trans-85.7127.4163.5-16762.3000107D39 F43 F66 C84 I108L37-D39 WeakPolarHBondContact CD1-O 3.35Å; L37-D39 VanDerWaalsContact CG-O 3.26Å; L37-D39 WeakPolarHBondContact CG-O 3.35Å; L37-F43 HydrophobicContact CB-CB 3.87Å; L37-F43 HydrophobicContact CB-CD1 4.07Å; L37-F43 HydrophobicContact CB-CG 4.48Å; L37-F43 HydrophobicContact CD2-CB 4.34Å; L37-F66 HydrophobicContact CD1-CE2 4.31Å; L37-F66 HydrophobicContact CD2-CE2 4.37Å; L37-C84 HydrophobicContact CD1-CB 4.34Å; L37-I108 HydrophobicContact CD1-CD1 3.85Å; L37-I108 HydrophobicContact CD1-CG1 4.45Å
38V87.2Confident84.3Confident62 Ų6251.3 Ų51.338%0.37630%0.302SS..SBendtrans-84.6-44.4179.4-176.50000109.6I83 R85V38-I83 HydrophobicContact CB-CB 4.21Å; V38-I83 WeakPolarHBondContact CB-O 3.29Å; V38-I83 HydrophobicContact CG2-CB 4.38Å; V38-I83 HydrophobicContact CG2-CG2 4.2Å; V38-I83 PolarHBondContact N-O 2.84Å; V38-R85 HydrophobicContact CG2-CB 3.97Å
39D73.2Confident84.7Confident92 Ų9247.2 Ų47.249%0.49228%0.284SS..SBendtrans-129.8142.4-179.3-67.1-72.7000111.1L37 C82L37-D39 WeakPolarHBondContact CD1-O 3.35Å; L37-D39 VanDerWaalsContact CG-O 3.26Å; L37-D39 WeakPolarHBondContact CG-O 3.35Å; D39-C82 PolarHBondContact O-SG 2.9Å
40G63.1Low85Confident32 Ų3252.4 Ų52.433%0.3330%0.296SS..SBendtrans94.221.8168.600000116.7K69G40-K69 WeakPolarHBondContact CA-O 3.28Å; G40-K69 WeakPolarHBondContact O-CA 3.3Å; G40-K69 WeakPolarHBondContact O-CB 3.44Å; G40-K69 PolarHBondContact O-N 3.45Å
41G66.9Low85Confident40 Ų4054.1 Ų54.141%0.41230%0.302SS..SBendtrans178.9177.5172.100000115.9F43G41-F43 VanDerWaalsContact C-N 3.34Å
42D62.5Low85Confident151 Ų15160.1 Ų60.181%0.80733%0.33SS*.  trans-103.544.8172.6-170.323.5000109.5S44D42-S44 PolarHBondContact O-N 2.81Å
43F66.8Low85Confident30 Ų3060.1 Ų60.113%0.13233%0.33CS..  trans-84.398.2176.6178.5-120.3000109.1V35 L37 G41 S46 F66V35-F43 HydrophobicContact CB-CE1 4.41Å; V35-F43 HydrophobicContact CG1-CE1 4.1Å; L37-F43 HydrophobicContact CB-CB 3.87Å; L37-F43 HydrophobicContact CB-CD1 4.07Å; L37-F43 HydrophobicContact CB-CG 4.48Å; L37-F43 HydrophobicContact CD2-CB 4.34Å; G41-F43 VanDerWaalsContact C-N 3.34Å; F43-S46 WeakPolarHBondContact CE2-OG 3.42Å; F43-S46 WeakPolarHBondContact CZ-OG 3.28Å; F43-F66 HydrophobicContact CB-CB 4.3Å; F43-F66 HydrophobicContact CB-CD2 4.19Å; F43-F66 HydrophobicContact CB-CG 4.32Å; F43-F66 HydrophobicContact CD1-CD1 4.1Å; F43-F66 HydrophobicContact CD1-CD2 4.31Å; F43-F66 HydrophobicContact CD1-CE1 4.28Å; F43-F66 HydrophobicContact CD1-CE2 4.48Å; F43-F66 HydrophobicContact CD1-CG 4.11Å; F43-F66 HydrophobicContact CD1-CZ 4.47Å; F43-F66 HydrophobicContact CD2-CB 3.31Å; F43-F66 AromaticContact CD2-CD1 3.96Å; F43-F66 HydrophobicContact CD2-CD1 3.96Å; F43-F66 HydrophobicContact CD2-CD2 4.36Å; F43-F66 AromaticContact CD2-CG 3.65Å; F43-F66 HydrophobicContact CD2-CG 3.65Å; F43-F66 AromaticContact CE1-CD1 3.89Å; F43-F66 HydrophobicContact CE1-CD1 3.89Å; F43-F66 AromaticContact CE1-CE1 3.99Å; F43-F66 HydrophobicContact CE1-CE1 3.99Å; F43-F66 HydrophobicContact CE1-CG 4.35Å; F43-F66 HydrophobicContact CE2-CB 3.69Å; F43-F66 AromaticContact CE2-CD1 3.73Å; F43-F66 HydrophobicContact CE2-CD1 3.73Å; F43-F66 AromaticContact CE2-CG 3.91Å; F43-F66 HydrophobicContact CE2-CG 3.91Å; F43-F66 HydrophobicContact CG-CB 3.84Å; F43-F66 HydrophobicContact CG-CD1 4.13Å; F43-F66 HydrophobicContact CG-CD2 4.02Å; F43-F66 AromaticContact CG-CG 3.75Å; F43-F66 HydrophobicContact CG-CG 3.75Å; F43-F66 HydrophobicContact CZ-CB 4.49Å; F43-F66 AromaticContact CZ-CD1 3.68Å; F43-F66 HydrophobicContact CZ-CD1 3.68Å; F43-F66 HydrophobicContact CZ-CE1 4.16Å; F43-F66 HydrophobicContact CZ-CG 4.24Å
44S64.1Low84.8Confident88 Ų8866.5 Ų66.562%0.61536%0.36SS*.  trans-59.4147.8176.8600000111.9D42 S46D42-S44 PolarHBondContact O-N 2.81Å; S44-S46 PolarHBondContact O-N 2.96Å; S44-S46 PolarHBondContact O-OG 3.19Å
45I80.4Confident84.7Confident107 Ų10772.5 Ų72.555%0.54939%0.39SS..  trans-63.4102.1-170.1-54.1174.3000110.3K34 R36K34-I45 HydrophobicContact CB-CG2 3.95Å; K34-I45 HydrophobicContact CD-CG2 3.85Å; K34-I45 HydrophobicContact CG-CG2 4.44Å; R36-I45 HydrophobicContact CB-CG1 4.14Å; R36-I45 HydrophobicContact CB-CG2 4.5Å
46S87.1Confident84.6Confident30 Ų3075.9 Ų75.921%0.2141%0.408CS..EExtended strand (participates in β ladder)trans-89.7140.2-178.4-65.20000110.8K34 V35 F43 S44K34-S46 CarbonylContact C-O 3.46Å; K34-S46 WeakPolarHBondContact CA-O 3.41Å; V35-S46 PolarHBondContact N-O 2.82Å; V35-S46 PolarHBondContact O-N 3.05Å; F43-S46 WeakPolarHBondContact CE2-OG 3.42Å; F43-S46 WeakPolarHBondContact CZ-OG 3.28Å; S44-S46 PolarHBondContact O-N 2.96Å; S44-S46 PolarHBondContact O-OG 3.19Å
47S91.6Very high84.7Confident61 Ų6172.5 Ų72.543%0.42740%0.398SS..EExtended strand (participates in β ladder)trans-108.8148.8175.852.50000112.4C33C33-S47 VanDerWaalsContact O-CA 3.27Å; C33-S47 WeakPolarHBondContact O-CA 3.25Å
48S94.7Very high84.9Confident11 Ų1171.7 Ų71.78%0.07739%0.393CS..  trans-69176.4164.5670000111.4C33C33-S48 PolarHBondContact N-OG 2.75Å; C33-S48 PolarHBondContact O-N 3.31Å
49S94.1Very high85.4Confident44 Ų4477.3 Ų77.331%0.30841%0.408SS..  trans-61.3169154.945.90000111.6F32 E51F32-S49 WeakPolarHBondContact CB-O 3.26Å; S49-E51 WeakPolarHBondContact CB-OE1 3.37Å; S49-E51 PolarHBondContact OG-OE1 3.16Å
50R95.6Very high86.5Confident133 Ų13373.8 Ų73.850%0.50239%0.387SS..  trans-99.4119.9172.2-79.6168.5166.590.1-7.6107.2V30 F32 E91V30-R50 HydrophobicContact CG1-CB 3.64Å; V30-R50 HydrophobicContact CG1-CG 4.14Å; F32-R50 HydrophobicContact CB-CG 4.06Å; F32-R50 HydrophobicContact CD1-CG 4.33Å; F32-R50 HydrophobicContact CG-CG 4.39Å; R50-E91 WeakPolarHBondContact CD-OE2 3.45Å; R50-E91 IonicContact CZ-OE2 3.57Å; R50-E91 IonicContact NE-OE2 3.57Å; R50-E91 PolarHBondContact NE-OE2 3.44Å; R50-E91 IonicContact NH2-OE2 3.28Å
51E96.6Very high88Confident69 Ų6974.4 Ų74.432%0.32239%0.394SS..EExtended strand (participates in β ladder)trans-128.2145.4-173.7-55.5-61.3165.300109.4V30 L31 S49 V58 W60V30-E51 CarbonylContact C-O 3.48Å; V30-E51 WeakPolarHBondContact CA-O 3.5Å; L31-E51 PolarHBondContact N-O 2.88Å; L31-E51 PolarHBondContact O-N 3.19Å; S49-E51 WeakPolarHBondContact CB-OE1 3.37Å; S49-E51 PolarHBondContact OG-OE1 3.16Å; E51-V58 HydrophobicContact CB-CG1 3.56Å; E51-V58 HydrophobicContact CG-CG1 4.49Å; E51-W60 HydrophobicContact CG-CG 4.22Å
52E95.6Very high89.4Confident127 Ų12776.9 Ų76.959%0.59339%0.394SS*.EExtended strand (participates in β ladder)trans-78.4149.3178.2-72.6-179.8164.200111.7G29 V30 Q54G29-E52 WeakPolarHBondContact O-CA 3.2Å; V30-E52 HydrophobicContact CG2-CG 3.75Å; E52-Q54 PolarHBondContact O-N 3.04Å
53V95.1Very high90.9Very high11 Ų1179.4 Ų79.47%0.06739%0.392CS..  trans-70.6124.6167.9-173.30000109.2V24 F26 G29 L31 C57 V58V24-V53 HydrophobicContact CB-CG1 4.16Å; V24-V53 HydrophobicContact CG1-CG1 4.15Å; V24-V53 HydrophobicContact CG1-CG2 4Å; F26-V53 HydrophobicContact CD2-CG2 4.2Å; F26-V53 HydrophobicContact CE2-CG2 3.8Å; F26-V53 WeakPolarHBondContact O-CG1 3.43Å; G29-V53 PolarHBondContact O-N 3.13Å; L31-V53 HydrophobicContact CD1-CG2 4.24Å; L31-V53 HydrophobicContact CG-CG2 4.06Å; V53-C57 WeakPolarHBondContact CA-O 3.37Å; V53-V58 HydrophobicContact CB-CG2 4.12Å; V53-V58 HydrophobicContact CG1-CG2 4.46Å; V53-V58 HydrophobicContact CG2-CG2 3.61Å
54Q93.3Very high92.2Very high134 Ų13479 Ų7963%0.62639%0.39SS*.BIsolated β-bridgetrans-129.5127.4175.5-61.5-177.15.300107.9E52 N56 C57E52-Q54 PolarHBondContact O-N 3.04Å; Q54-N56 PolarHBondContact O-N 3.46Å; Q54-N56 VanDerWaalsContact O-N 3.16Å; Q54-C57 PolarHBondContact N-O 3.42Å; Q54-C57 PolarHBondContact O-N 2.8Å
55Q91.9Very high93.6Very high193 Ų19378.2 Ų78.290%0.90239%0.385SS*.THydrogen-bonded Turntrans52.537.5179.8-56.8179.1-4600114.2C57Q55-C57 PolarHBondContact O-N 3.36Å
56N93.3Very high94.2Very high71 Ų7173.6 Ų73.638%0.3836%0.361SS..THydrogen-bonded Turntrans61.721.3-174.7-53.3-35.3000114.7A23 V24 V27 Q54A23-N56 PolarHBondContact N-O 3.17Å; A23-N56 VanDerWaalsContact N-O 3.13Å; V24-N56 WeakPolarHBondContact CB-O 3.43Å; V24-N56 PolarHBondContact N-O 2.93Å; V24-N56 WeakPolarHBondContact O-CB 3.13Å; V27-N56 WeakPolarHBondContact CG1-OD1 3.46Å; Q54-N56 PolarHBondContact O-N 3.46Å; Q54-N56 VanDerWaalsContact O-N 3.16Å
57C94Very high94.5Very high19 Ų1975.1 Ų75.113%0.12837%0.369CS..BIsolated β-bridgetrans-124156.6172.4-173.50000111.1E20 L21 V53 Q54 Q55E20-C57 PolarHBondContact OE1-SG 2.76Å; L21-C57 CarbonylContact O-C 3.43Å; L21-C57 VanDerWaalsContact O-CA 3.26Å; L21-C57 WeakPolarHBondContact O-CA 3.4Å; L21-C57 PolarHBondContact O-SG 3.28Å; V53-C57 WeakPolarHBondContact CA-O 3.37Å; Q54-C57 PolarHBondContact N-O 3.42Å; Q54-C57 PolarHBondContact O-N 2.8Å; Q55-C57 PolarHBondContact O-N 3.36Å
58V96.4Very high94.5Very high1 Ų172.2 Ų72.21%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-130.1125.7164.1-179.20000108.8E20 L21 L31 E51 V53 W60E20-V58 CarbonylContact C-O 3.5Å; E20-V58 WeakPolarHBondContact CA-O 3.02Å; E20-V58 VanDerWaalsContact CB-O 3.25Å; E20-V58 WeakPolarHBondContact CB-O 3.31Å; L21-V58 PolarHBondContact N-O 2.92Å; L21-V58 PolarHBondContact O-N 3.18Å; L31-V58 HydrophobicContact CB-CG1 4.38Å; L31-V58 HydrophobicContact CB-CG2 4.12Å; L31-V58 HydrophobicContact CD1-CG2 3.78Å; L31-V58 HydrophobicContact CG-CG2 3.94Å; E51-V58 HydrophobicContact CB-CG1 3.56Å; E51-V58 HydrophobicContact CG-CG1 4.49Å; V53-V58 HydrophobicContact CB-CG2 4.12Å; V53-V58 HydrophobicContact CG1-CG2 4.46Å; V53-V58 HydrophobicContact CG2-CG2 3.61Å; V58-W60 HydrophobicContact CB-CH2 4.14Å; V58-W60 HydrophobicContact CB-CZ2 4.04Å; V58-W60 HydrophobicContact CG1-CD2 4.1Å; V58-W60 HydrophobicContact CG1-CH2 4.08Å; V58-W60 HydrophobicContact CG1-CZ2 3.51Å
59R96.6Very high94.4Very high179 Ų17977.6 Ų77.668%0.67537%0.37SS*.EExtended strand (participates in β ladder)trans-113.4121.6-176.6-43.9-172.881.8-163.84.4109.4E20E20-R59 HydrophobicContact CB-CB 4.2Å; E20-R59 HydrophobicContact CB-CG 4.04Å; E20-R59 IonicContact OE1-NE 2.76Å; E20-R59 IonicContact OE2-CZ 3.88Å; E20-R59 IonicContact OE2-NE 2.9Å; E20-R59 PolarHBondContact OE2-NE 3.42Å; E20-R59 IonicContact OE2-NH2 3.63Å; E20-R59 PolarHBondContact OE2-NH2 2.89Å
60W96.5Very high94.3Very high18 Ų1876.1 Ų76.17%0.06836%0.359CS..EExtended strand (participates in β ladder)trans-106.9-30.9180-62.9-78.3000113.2L18 E19 L21 L31 C33 E51 V58 K62 L138L18-W60 HydrophobicContact CD1-CE3 4.09Å; L18-W60 HydrophobicContact CD1-CZ3 4.3Å; L18-W60 HydrophobicContact CD2-CB 3.86Å; L18-W60 HydrophobicContact CD2-CD2 3.68Å; L18-W60 HydrophobicContact CD2-CE3 3.72Å; L18-W60 HydrophobicContact CD2-CG 3.76Å; L18-W60 HydrophobicContact CD2-CZ3 4.47Å; L18-W60 HydrophobicContact CG-CB 4.2Å; L18-W60 HydrophobicContact CG-CD2 4.12Å; L18-W60 HydrophobicContact CG-CE3 3.66Å; L18-W60 HydrophobicContact CG-CG 4.37Å; L18-W60 HydrophobicContact CG-CZ3 4.36Å; E19-W60 PolarHBondContact O-N 3.23Å; L21-W60 HydrophobicContact CB-CH2 3.59Å; L21-W60 HydrophobicContact CB-CZ3 3.57Å; L21-W60 HydrophobicContact CD2-CH2 4.2Å; L31-W60 HydrophobicContact CB-CZ2 4.01Å; L31-W60 PolarHBondContact O-NE1 3.42Å; C33-W60 WeakPolarHBondContact SG-CH2 3.37Å; E51-W60 HydrophobicContact CG-CG 4.22Å; V58-W60 HydrophobicContact CB-CH2 4.14Å; V58-W60 HydrophobicContact CB-CZ2 4.04Å; V58-W60 HydrophobicContact CG1-CD2 4.1Å; V58-W60 HydrophobicContact CG1-CH2 4.08Å; V58-W60 HydrophobicContact CG1-CZ2 3.51Å; W60-K62 HydrophobicContact CB-CB 4.09Å; W60-K62 PolarHBondContact O-N 2.98Å; W60-L138 HydrophobicContact CZ3-CD1 4.06Å
61G94.5Very high94.2Very high46 Ų4671.4 Ų71.447%0.47435%0.346SS..EExtended strand (participates in β ladder)trans50.524.9-174.800000114L18 E19 R63L18-G61 CarbonylContact O-C 3.53Å; L18-G61 WeakPolarHBondContact O-CA 3.49Å; L18-G61 PolarHBondContact O-N 2.84Å; L18-G61 VanDerWaalsContact O-N 3.08Å; E19-G61 PolarHBondContact O-N 3.01Å; E19-G61 VanDerWaalsContact O-N 3.1Å; G61-R63 PolarHBondContact O-N 3.05Å
62K95.9Very high94.1Very high91 Ų9168.1 Ų68.140%0.39633%0.331SS..EExtended strand (participates in β ladder)trans-90.6108.4-160.1-17566.1-178.7-177.50110.6L18 W60 F64L18-K62 HydrophobicContact CB-CB 4.38Å; L18-K62 PolarHBondContact N-O 3.03Å; L18-K62 PolarHBondContact O-N 3.06Å; W60-K62 HydrophobicContact CB-CB 4.09Å; W60-K62 PolarHBondContact O-N 2.98Å; K62-F64 HydrophobicContact CB-CE2 3.99Å; K62-F64 HydrophobicContact CB-CZ 4.26Å; K62-F64 HydrophobicContact CG-CD2 4.34Å; K62-F64 HydrophobicContact CG-CE1 4.13Å; K62-F64 HydrophobicContact CG-CE2 3.62Å; K62-F64 HydrophobicContact CG-CZ 3.5Å; K62-F64 VanDerWaalsContact CG-CZ 3.5Å; K62-F64 VanDerWaalsContact O-CD2 3.22Å; K62-F64 WeakPolarHBondContact O-CD2 3.39Å; K62-F64 VanDerWaalsContact O-CE2 3.29Å; K62-F64 WeakPolarHBondContact O-CE2 3.39Å
63R95.4Very high93.8Very high205 Ų20564.9 Ų64.977%0.77432%0.318SS*.EExtended strand (participates in β ladder)trans-77.3132173.6-61.9-173.2-75.5177-3111.6F16 V17 G61F16-R63 CarbonylContact O-C 3.51Å; V17-R63 HydrophobicContact CB-CG 4.42Å; V17-R63 HydrophobicContact CG1-CG 3.82Å; V17-R63 HydrophobicContact CG2-CG 4Å; G61-R63 PolarHBondContact O-N 3.05Å
64F93.8Very high93.4Very high20 Ų2066.9 Ų66.99%0.08833%0.331CS..EExtended strand (participates in β ladder)trans-123152.3170.5-55-91.4000108.7F16 L18 V35 K62F16-F64 HydrophobicContact CB-CB 4.44Å; F16-F64 HydrophobicContact CD1-CD2 4.1Å; F16-F64 PolarHBondContact N-O 3.05Å; F16-F64 PolarHBondContact O-N 3.1Å; L18-F64 HydrophobicContact CB-CE2 3.94Å; L18-F64 HydrophobicContact CD2-CE2 4.47Å; V35-F64 HydrophobicContact CG2-CD2 4.35Å; V35-F64 HydrophobicContact CG2-CE2 3.9Å; V35-F64 HydrophobicContact CG2-CZ 4.05Å; K62-F64 HydrophobicContact CB-CE2 3.99Å; K62-F64 HydrophobicContact CB-CZ 4.26Å; K62-F64 HydrophobicContact CG-CD2 4.34Å; K62-F64 HydrophobicContact CG-CE1 4.13Å; K62-F64 HydrophobicContact CG-CE2 3.62Å; K62-F64 HydrophobicContact CG-CZ 3.5Å; K62-F64 VanDerWaalsContact CG-CZ 3.5Å; K62-F64 VanDerWaalsContact O-CD2 3.22Å; K62-F64 WeakPolarHBondContact O-CD2 3.39Å; K62-F64 VanDerWaalsContact O-CE2 3.29Å; K62-F64 WeakPolarHBondContact O-CE2 3.39Å
65S93.1Very high93.2Very high72 Ų7267.4 Ų67.450%0.50334%0.336SS..EExtended strand (participates in β ladder)trans-143.9119.3-177.8-164.70000109.1Q13 V14 H15Q13-S65 PolarHBondContact NE2-OG 3.29Å; V14-S65 WeakPolarHBondContact O-CA 3.38Å; H15-S65 PolarHBondContact ND1-OG 3.08Å
66F93.1Very high93.1Very high11 Ų1161.2 Ų61.25%0.04831%0.312CS..EExtended strand (participates in β ladder)trans-149.7155.3-174.659.7-93.2000113.5V14 F16 L37 F43 I108V14-F66 HydrophobicContact CB-CD2 4.04Å; V14-F66 HydrophobicContact CB-CE1 4.27Å; V14-F66 HydrophobicContact CB-CE2 3.75Å; V14-F66 HydrophobicContact CB-CG 4.42Å; V14-F66 HydrophobicContact CB-CZ 3.88Å; V14-F66 HydrophobicContact CG1-CE1 4.11Å; V14-F66 HydrophobicContact CG1-CE2 4.04Å; V14-F66 HydrophobicContact CG1-CZ 3.69Å; V14-F66 HydrophobicContact CG2-CD2 4.23Å; V14-F66 HydrophobicContact CG2-CE2 3.85Å; V14-F66 HydrophobicContact CG2-CZ 4.37Å; V14-F66 PolarHBondContact N-O 3.1Å; V14-F66 PolarHBondContact O-N 2.6Å; F16-F66 HydrophobicContact CB-CE1 3.99Å; L37-F66 HydrophobicContact CD1-CE2 4.31Å; L37-F66 HydrophobicContact CD2-CE2 4.37Å; F43-F66 HydrophobicContact CB-CB 4.3Å; F43-F66 HydrophobicContact CB-CD2 4.19Å; F43-F66 HydrophobicContact CB-CG 4.32Å; F43-F66 HydrophobicContact CD1-CD1 4.1Å; F43-F66 HydrophobicContact CD1-CD2 4.31Å; F43-F66 HydrophobicContact CD1-CE1 4.28Å; F43-F66 HydrophobicContact CD1-CE2 4.48Å; F43-F66 HydrophobicContact CD1-CG 4.11Å; F43-F66 HydrophobicContact CD1-CZ 4.47Å; F43-F66 HydrophobicContact CD2-CB 3.31Å; F43-F66 AromaticContact CD2-CD1 3.96Å; F43-F66 HydrophobicContact CD2-CD1 3.96Å; F43-F66 HydrophobicContact CD2-CD2 4.36Å; F43-F66 AromaticContact CD2-CG 3.65Å; F43-F66 HydrophobicContact CD2-CG 3.65Å; F43-F66 AromaticContact CE1-CD1 3.89Å; F43-F66 HydrophobicContact CE1-CD1 3.89Å; F43-F66 AromaticContact CE1-CE1 3.99Å; F43-F66 HydrophobicContact CE1-CE1 3.99Å; F43-F66 HydrophobicContact CE1-CG 4.35Å; F43-F66 HydrophobicContact CE2-CB 3.69Å; F43-F66 AromaticContact CE2-CD1 3.73Å; F43-F66 HydrophobicContact CE2-CD1 3.73Å; F43-F66 AromaticContact CE2-CG 3.91Å; F43-F66 HydrophobicContact CE2-CG 3.91Å; F43-F66 HydrophobicContact CG-CB 3.84Å; F43-F66 HydrophobicContact CG-CD1 4.13Å; F43-F66 HydrophobicContact CG-CD2 4.02Å; F43-F66 AromaticContact CG-CG 3.75Å; F43-F66 HydrophobicContact CG-CG 3.75Å; F43-F66 HydrophobicContact CZ-CB 4.49Å; F43-F66 AromaticContact CZ-CD1 3.68Å; F43-F66 HydrophobicContact CZ-CD1 3.68Å; F43-F66 HydrophobicContact CZ-CE1 4.16Å; F43-F66 HydrophobicContact CZ-CG 4.24Å; F66-I108 HydrophobicContact CE2-CD1 4.27Å
67V93.2Very high93Very high62 Ų6258.7 Ų58.738%0.37630%0.302SS..EExtended strand (participates in β ladder)trans-90.3119.9177.5179.90000110.2K11 F12 Q13 L147K11-V67 HydrophobicContact CB-CG1 4.37Å; F12-V67 WeakPolarHBondContact O-CA 3.39Å; Q13-V67 VanDerWaalsContact OE1-CG2 3.32Å; V67-L147 HydrophobicContact CG1-CD1 4.31Å; V67-L147 HydrophobicContact CG2-CD1 4.04Å
68C92.3Very high93Very high0 Ų059.6 Ų59.60%031%0.307CS..EExtended strand (participates in β ladder)trans-98.5134.2169.7-177.10000110.7K11 F12 V14 M70 C82 I108K11-C68 CarbonylContact C-O 3.59Å; K11-C68 VanDerWaalsContact CA-O 3.27Å; K11-C68 WeakPolarHBondContact CA-O 3.17Å; F12-C68 PolarHBondContact N-O 2.72Å; F12-C68 PolarHBondContact O-N 2.71Å; V14-C68 HydrophobicContact CG2-CB 3.7Å; C68-M70 HydrophobicContact CB-CE 4.47Å; C68-M70 VanDerWaalsContact SG-CE 3.57Å; C68-C82 PolarHBondContact SG-SG 3.14Å; C68-I108 HydrophobicContact CB-CD1 4.14Å
69K92.8Very high92.9Very high124 Ų12459.7 Ų59.754%0.53931%0.308SS..EExtended strand (participates in β ladder)trans-106.6103.9175.8-60.3168.8-173.8165.50108.3F10 K11 G40F10-K69 CarbonylContact O-C 3.59Å; F10-K69 WeakPolarHBondContact O-CA 3.24Å; K11-K69 HydrophobicContact CG-CG 4.45Å; G40-K69 WeakPolarHBondContact CA-O 3.28Å; G40-K69 WeakPolarHBondContact O-CA 3.3Å; G40-K69 WeakPolarHBondContact O-CB 3.44Å; G40-K69 PolarHBondContact O-N 3.45Å
70M92Very high92.7Very high13 Ų1353 Ų536%0.06429%0.285CS..EExtended strand (participates in β ladder)trans-104.3163.4179.9-64.4176.8175.600111.3F10 F12 C68 L79 C82 I108 M144F10-M70 PolarHBondContact N-O 3.38Å; F10-M70 PolarHBondContact O-N 3.3Å; F12-M70 HydrophobicContact CD2-CG 4.24Å; F12-M70 HydrophobicContact CD2-SD 3.65Å; F12-M70 HydrophobicContact CE2-CB 4.34Å; F12-M70 HydrophobicContact CE2-CG 4.41Å; F12-M70 HydrophobicContact CE2-SD 3.65Å; C68-M70 HydrophobicContact CB-CE 4.47Å; C68-M70 VanDerWaalsContact SG-CE 3.57Å; M70-L79 HydrophobicContact CB-CD2 4.27Å; M70-L79 HydrophobicContact SD-CD1 4.09Å; M70-C82 HydrophobicContact CE-CB 3.84Å; M70-C82 HydrophobicContact CG-CB 4.4Å; M70-I108 HydrophobicContact CE-CD1 3.96Å; M70-I108 HydrophobicContact CE-CG1 3.85Å; M70-M144 HydrophobicContact CE-CE 3.65Å; M70-M144 HydrophobicContact SD-CE 4.17Å
71S92.8Very high92.5Very high33 Ų3356.4 Ų56.423%0.23131%0.31CS..EExtended strand (participates in β ladder)trans-125.1171.3160.848.40000110.6K8 L79 D80K8-S71 CarbonylContact O-C 3.6Å; K8-S71 WeakPolarHBondContact O-CA 3.2Å; K8-S71 WeakPolarHBondContact O-CB 3.5Å; S71-L79 WeakPolarHBondContact O-CA 3.46Å; S71-D80 VanDerWaalsContact CB-OD2 3.31Å; S71-D80 WeakPolarHBondContact CB-OD2 3.42Å; S71-D80 PolarHBondContact O-N 2.88Å; S71-D80 PolarHBondContact OG-OD2 3.03Å
72A93.9Very high92.5Very high1 Ų154.4 Ų54.41%0.00829%0.288CS..BIsolated β-bridgetrans-122.9153.2171.700000110.8K8 F10 V78 L79K8-A72 PolarHBondContact O-N 3.13Å; K8-A72 VanDerWaalsContact O-N 3.1Å; F10-A72 HydrophobicContact CE2-CB 3.49Å; F10-A72 VanDerWaalsContact CE2-CB 3.49Å; F10-A72 HydrophobicContact CZ-CB 3.96Å; A72-V78 CarbonylContact C-O 3.55Å; A72-V78 VanDerWaalsContact CA-O 3.23Å; A72-V78 WeakPolarHBondContact CA-O 3.09Å; A72-V78 VanDerWaalsContact CB-O 3.3Å; A72-V78 WeakPolarHBondContact CB-O 3.47Å; A72-L79 HydrophobicContact CB-CD2 4.42Å
73N90.3Very high92.3Very high59 Ų5951.9 Ų51.932%0.31628%0.279SS..  trans-57.6121162.2178.5-34.7000108.7I75 T76 G77 V78N73-I75 PolarHBondContact O-N 3.05Å; N73-I75 PolarHBondContact OD1-N 3.34Å; N73-T76 WeakPolarHBondContact CB-OG1 3.45Å; N73-T76 PolarHBondContact OD1-N 3.08Å; N73-G77 WeakPolarHBondContact O-CA 3.23Å; N73-G77 PolarHBondContact O-N 2.83Å; N73-V78 PolarHBondContact N-O 2.95Å
74P87.1Confident92.2Very high53 Ų5342.1 Ų42.134%0.34424%0.242SC..THydrogen-bonded Turntrans-75.3-12.2-170.931.6-35000113.4I5I5-P74 HydrophobicContact CB-CB 4.48Å; I5-P74 HydrophobicContact CB-CG 4.37Å; I5-P74 HydrophobicContact CG2-CB 3.64Å; I5-P74 HydrophobicContact CG2-CG 4.05Å
75I87.9Confident92.3Very high145 Ų14543.5 Ų43.574%0.74425%0.247SC*.THydrogen-bonded Turntrans-92.1-46.3178.9-57.3172.7000110.2N73N73-I75 PolarHBondContact O-N 3.05Å; N73-I75 PolarHBondContact OD1-N 3.34Å
76T90.5Very high92.4Very high62 Ų6240 Ų4038%0.3822%0.223SC..THydrogen-bonded Turntrans-90.7-20.9-17564.60000113.9N73 V78 K154N73-T76 WeakPolarHBondContact CB-OG1 3.45Å; N73-T76 PolarHBondContact OD1-N 3.08Å; T76-V78 PolarHBondContact O-N 3.1Å; T76-V78 WeakPolarHBondContact OG1-CG2 3.48Å; T76-V78 PolarHBondContact OG1-N 2.82Å; T76-K154 PolarHBondContact O-NZ 3.4Å
77G90.3Very high92.5Very high18 Ų1839.8 Ų39.819%0.18622%0.222CC..  trans77.20.7-171.700000114.5N73 K154N73-G77 WeakPolarHBondContact O-CA 3.23Å; N73-G77 PolarHBondContact O-N 2.83Å; G77-K154 PolarHBondContact O-N 3.29Å
78V94.5Very high92.5Very high39 Ų3936.8 Ų36.824%0.23620%0.204CC..BIsolated β-bridgetrans-76.8130.8-177.7-178.90000110.5A72 N73 T76 K154 P156A72-V78 CarbonylContact C-O 3.55Å; A72-V78 VanDerWaalsContact CA-O 3.23Å; A72-V78 WeakPolarHBondContact CA-O 3.09Å; A72-V78 VanDerWaalsContact CB-O 3.3Å; A72-V78 WeakPolarHBondContact CB-O 3.47Å; N73-V78 PolarHBondContact N-O 2.95Å; T76-V78 PolarHBondContact O-N 3.1Å; T76-V78 WeakPolarHBondContact OG1-CG2 3.48Å; T76-V78 PolarHBondContact OG1-N 2.82Å; V78-K154 CarbonylContact C-O 3.53Å; V78-K154 WeakPolarHBondContact CA-O 3.42Å; V78-K154 HydrophobicContact CG2-CB 4Å; V78-K154 HydrophobicContact CG2-CD 4.33Å; V78-P156 HydrophobicContact CG1-CB 4.12Å
79L94.5Very high92.6Very high3 Ų338.4 Ų38.42%0.01621%0.21CC..BIsolated β-bridgetrans-57.5137173-69.7173.3000110.7F10 F12 M70 S71 A72 A112 F153 K154F10-L79 HydrophobicContact CD2-CD2 3.61Å; F10-L79 HydrophobicContact CE2-CD2 3.84Å; F10-L79 HydrophobicContact CG-CD2 4.11Å; F10-L79 HydrophobicContact CZ-CD2 4.46Å; F12-L79 HydrophobicContact CE2-CD1 4.25Å; F12-L79 HydrophobicContact CE2-CD2 4.3Å; F12-L79 HydrophobicContact CZ-CD1 4.2Å; M70-L79 HydrophobicContact CB-CD2 4.27Å; M70-L79 HydrophobicContact SD-CD1 4.09Å; S71-L79 WeakPolarHBondContact O-CA 3.46Å; A72-L79 HydrophobicContact CB-CD2 4.42Å; L79-A112 HydrophobicContact CD1-CB 3.55Å; L79-F153 HydrophobicContact CD1-CD2 3.56Å; L79-F153 HydrophobicContact CD1-CE2 3.79Å; L79-F153 HydrophobicContact CD1-CG 4.35Å; L79-F153 HydrophobicContact CD2-CB 4.29Å; L79-F153 HydrophobicContact CD2-CD2 4.33Å; L79-F153 HydrophobicContact CD2-CG 4.36Å; L79-F153 HydrophobicContact CG-CB 4.34Å; L79-F153 HydrophobicContact CG-CD2 3.81Å; L79-F153 HydrophobicContact CG-CG 4.29Å; L79-K154 PolarHBondContact N-O 3.42Å
80D92.9Very high92.6Very high37 Ų3734.5 Ų34.520%0.19819%0.193CC..PPolyproline II helixtrans-62145.6170.7-63.7-60.3000109.8K7 S71 S109K7-D80 IonicContact NZ-OD1 2.7Å; K7-D80 PolarHBondContact NZ-OD1 2.54Å; K7-D80 IonicContact NZ-OD2 2.76Å; K7-D80 PolarHBondContact NZ-OD2 2.81Å; S71-D80 VanDerWaalsContact CB-OD2 3.31Å; S71-D80 WeakPolarHBondContact CB-OD2 3.42Å; S71-D80 PolarHBondContact O-N 2.88Å; S71-D80 PolarHBondContact OG-OD2 3.03Å; D80-S109 WeakPolarHBondContact O-CB 3.27Å; D80-S109 PolarHBondContact O-OG 3.06Å
81P92.7Very high92.7Very high90 Ų9035.7 Ų35.758%0.58420%0.199SC*.PPolyproline II helixtrans-56.7144.3172.7-26.235.8000112.2N107P81-N107 WeakPolarHBondContact CA-OD1 3.48Å
82C92.6Very high92.7Very high4 Ų437.9 Ų37.93%0.02721%0.207CC..  trans-145.6104.5-175176.10000108.6D39 C68 M70 N107 I108D39-C82 PolarHBondContact O-SG 2.9Å; C68-C82 PolarHBondContact SG-SG 3.14Å; M70-C82 HydrophobicContact CE-CB 3.84Å; M70-C82 HydrophobicContact CG-CB 4.4Å; C82-N107 PolarHBondContact N-OD1 3.01Å; C82-N107 CarbonylContact O-C 3.45Å; C82-N107 WeakPolarHBondContact O-CA 3.36Å; C82-N107 PolarHBondContact O-OD1 3.37Å; C82-I108 HydrophobicContact CB-CG1 4.16Å; C82-I108 VanDerWaalsContact O-CG1 3.27Å; C82-I108 WeakPolarHBondContact O-CG1 3.33Å; C82-I108 PolarHBondContact O-N 3.43Å
83I93.1Very high92.5Very high39 Ų3946.5 Ų46.520%0.225%0.245CC..EExtended strand (participates in β ladder)trans-93.4124.4-167.4-52.5-53.7000111V38 D105 N107V38-I83 HydrophobicContact CB-CB 4.21Å; V38-I83 WeakPolarHBondContact CB-O 3.29Å; V38-I83 HydrophobicContact CG2-CB 4.38Å; V38-I83 HydrophobicContact CG2-CG2 4.2Å; V38-I83 PolarHBondContact N-O 2.84Å; I83-D105 HydrophobicContact CG2-CB 3.61Å; I83-N107 HydrophobicContact CD1-CB 3.84Å
84C93.7Very high92.3Very high0 Ų046.6 Ų46.60%026%0.26CS..EExtended strand (participates in β ladder)trans-102.4120.4165.6-170.60000109V35 R36 L37 L106 I108V35-C84 VanDerWaalsContact CG1-SG 3.56Å; R36-C84 CarbonylContact O-C 3.6Å; R36-C84 WeakPolarHBondContact O-CA 3.22Å; R36-C84 PolarHBondContact O-SG 2.86Å; R36-C84 VanDerWaalsContact O-SG 3.42Å; L37-C84 HydrophobicContact CD1-CB 4.34Å; C84-L106 PolarHBondContact N-O 2.81Å; C84-L106 PolarHBondContact O-N 2.89Å; C84-I108 HydrophobicContact CB-CG2 3.64Å
85R94.2Very high92.3Very high48 Ų4845.8 Ų45.818%0.18126%0.261CS..EExtended strand (participates in β ladder)trans-98.3119.3177.8-168.9168.2-60.1-155.20.5110.6R36 V38 F103 A104 D105R36-R85 HydrophobicContact CG-CB 3.87Å; R36-R85 PolarHBondContact N-O 3.03Å; R36-R85 PolarHBondContact O-N 3.46Å; V38-R85 HydrophobicContact CG2-CB 3.97Å; R85-F103 HydrophobicContact CG-CB 3.95Å; R85-F103 HydrophobicContact CG-CD2 4.01Å; R85-F103 HydrophobicContact CG-CG 4.33Å; R85-A104 WeakPolarHBondContact CA-O 3.33Å; R85-D105 WeakPolarHBondContact CA-OD1 3.39Å; R85-D105 WeakPolarHBondContact CB-OD1 3.27Å; R85-D105 WeakPolarHBondContact CD-OD1 3.38Å; R85-D105 WeakPolarHBondContact CG-OD1 3.38Å; R85-D105 IonicContact CZ-OD1 3.55Å; R85-D105 IonicContact CZ-OD2 2.64Å; R85-D105 VanDerWaalsContact CZ-OD2 3.28Å; R85-D105 IonicContact NE-OD1 3.65Å; R85-D105 PolarHBondContact NE-OD1 2.89Å; R85-D105 IonicContact NE-OD2 3.43Å; R85-D105 PolarHBondContact NE-OD2 3.02Å; R85-D105 IonicContact NH2-OD1 2.68Å; R85-D105 IonicContact NH2-OD2 3.36Å; R85-D105 PolarHBondContact NH2-OD2 2.99Å
86V95.6Very high92.4Very high0 Ų047.9 Ų47.90%027%0.265CS..EExtended strand (participates in β ladder)trans-90.2128.1162.4-171.20000108.3F16 L18 C33 V35 F103 A104 L106 L138F16-V86 HydrophobicContact CE1-CG2 4.19Å; F16-V86 HydrophobicContact CZ-CG2 3.63Å; L18-V86 HydrophobicContact CD1-CG1 4.03Å; C33-V86 HydrophobicContact CB-CG1 3.94Å; V35-V86 HydrophobicContact CG2-CG1 4.48Å; V35-V86 HydrophobicContact CG2-CG2 4.42Å; V86-F103 CarbonylContact O-C 3.55Å; V86-F103 WeakPolarHBondContact O-CA 3.4Å; V86-F103 VanDerWaalsContact O-CB 3.24Å; V86-F103 WeakPolarHBondContact O-CB 3.23Å; V86-A104 PolarHBondContact N-O 2.95Å; V86-A104 PolarHBondContact O-N 2.85Å; V86-L106 HydrophobicContact CG2-CD1 4.26Å; V86-L138 HydrophobicContact CB-CD2 3.74Å; V86-L138 HydrophobicContact CG1-CD2 3.75Å; V86-L138 HydrophobicContact CG2-CD2 4.09Å
87S94.7Very high92.5Very high5 Ų546.5 Ų46.54%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-118.3107.2-177.9-57.20000110.3C33 K34 Y126C33-S87 CarbonylContact C-O 3.58Å; C33-S87 WeakPolarHBondContact CA-O 3.34Å; K34-S87 PolarHBondContact N-O 2.76Å; K34-S87 WeakPolarHBondContact O-CB 3.5Å; K34-S87 PolarHBondContact O-N 2.67Å; S87-Y126 WeakPolarHBondContact CB-OH 3.31Å; S87-Y126 PolarHBondContact OG-OH 3.25Å; S87-Y126 VanDerWaalsContact OG-OH 3.05Å
88V94.6Very high92.6Very high0 Ų051.3 Ų51.30%027%0.273CS..EExtended strand (participates in β ladder)trans-83.4133.6-178.1-172.30000110.6L21 L31 L101 G102 L123 L138L21-V88 HydrophobicContact CD2-CG1 3.8Å; L21-V88 HydrophobicContact CD2-CG2 4.48Å; L31-V88 HydrophobicContact CD1-CG1 4.34Å; V88-L101 HydrophobicContact CG1-CB 4.47Å; V88-L101 HydrophobicContact CG1-CD1 4.12Å; V88-L101 PolarHBondContact O-N 2.74Å; V88-G102 PolarHBondContact N-O 3.24Å; V88-L123 HydrophobicContact CB-CD1 4.01Å; V88-L123 HydrophobicContact CG1-CD1 4.36Å; V88-L123 HydrophobicContact CG2-CD1 3.75Å; V88-L123 HydrophobicContact CG2-CD2 3.61Å; V88-L123 HydrophobicContact CG2-CG 4.36Å; V88-L138 HydrophobicContact CG2-CD1 4.5Å
89R93.9Very high92.5Very high34 Ų3452 Ų5213%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-134.6136.5-175.5-62176.3-176.4-146.5-2.2110.8L31 F32 Y98 S99L31-R89 WeakPolarHBondContact CA-O 3.45Å; F32-R89 HydrophobicContact CD1-CB 4.2Å; F32-R89 HydrophobicContact CD2-CB 4.41Å; F32-R89 HydrophobicContact CE1-CB 3.78Å; F32-R89 HydrophobicContact CE2-CB 4.02Å; F32-R89 HydrophobicContact CE2-CG 4.42Å; F32-R89 HydrophobicContact CZ-CB 3.68Å; F32-R89 HydrophobicContact CZ-CG 4.36Å; F32-R89 PolarHBondContact N-O 2.95Å; F32-R89 PolarHBondContact O-N 2.81Å; R89-Y98 HydrophobicContact CB-CD2 4.39Å; R89-Y98 HydrophobicContact CG-CD2 4.2Å; R89-Y98 PolarHBondContact NH1-OH 3.02Å; R89-Y98 VanDerWaalsContact NH1-OH 3.1Å; R89-S99 CarbonylContact C-O 3.48Å; R89-S99 VanDerWaalsContact CA-O 3.23Å; R89-S99 WeakPolarHBondContact CA-O 3.35Å; R89-S99 WeakPolarHBondContact CB-O 3.42Å
90K93.4Very high92.4Very high42 Ų4257 Ų5718%0.18330%0.301CS..EExtended strand (participates in β ladder)trans-94.2131.1171.4-175.9165.6-171163.60109.3F26 N28 L31 Y98 S99 L101F26-K90 HydrophobicContact CE1-CD 4.35Å; F26-K90 HydrophobicContact CE2-CD 3.85Å; F26-K90 HydrophobicContact CZ-CD 3.72Å; N28-K90 PolarHBondContact O-NZ 2.63Å; L31-K90 HydrophobicContact CD2-CB 3.61Å; L31-K90 HydrophobicContact CD2-CD 4.31Å; L31-K90 HydrophobicContact CD2-CG 3.78Å; K90-Y98 CarbonylContact O-C 3.47Å; K90-Y98 WeakPolarHBondContact O-CA 3.18Å; K90-Y98 WeakPolarHBondContact O-CB 3.37Å; K90-S99 PolarHBondContact N-O 3.28Å; K90-S99 PolarHBondContact O-N 3Å; K90-L101 HydrophobicContact CB-CD1 4.16Å; K90-L101 HydrophobicContact CB-CD2 3.93Å; K90-L101 HydrophobicContact CB-CG 4.05Å
91E94.4Very high92.2Very high37 Ų3756.3 Ų56.317%0.17330%0.297CS..EExtended strand (participates in β ladder)trans-68.9144.6173.8-177.1155.911900111.9V30 R50 G95V30-E91 HydrophobicContact CB-CB 4.06Å; V30-E91 HydrophobicContact CG1-CB 4.24Å; V30-E91 WeakPolarHBondContact O-CB 3.31Å; V30-E91 PolarHBondContact O-N 3.48Å; R50-E91 WeakPolarHBondContact CD-OE2 3.45Å; R50-E91 IonicContact CZ-OE2 3.57Å; R50-E91 IonicContact NE-OE2 3.57Å; R50-E91 PolarHBondContact NE-OE2 3.44Å; R50-E91 IonicContact NH2-OE2 3.28Å; E91-G95 WeakPolarHBondContact OE1-CA 3.31Å; E91-G95 PolarHBondContact OE1-N 2.93Å; E91-G95 WeakPolarHBondContact OE2-CA 3.19Å
92L92.3Very high92.2Very high79 Ų7952.1 Ų52.141%0.41427%0.27SS..EExtended strand (participates in β ladder)trans-133.6150.1174.1-60.5176.6000110.1G94 A97L92-G94 VanDerWaalsContact C-N 3.26Å; L92-G94 PolarHBondContact O-N 2.84Å; L92-A97 HydrophobicContact CB-CB 3.96Å; L92-A97 PolarHBondContact N-O 3.11Å; L92-A97 CarbonylContact O-C 3.43Å; L92-A97 PolarHBondContact O-N 3.35Å
93K89.8Confident92.3Very high182 Ų18252.8 Ų52.879%0.79127%0.273SS*.THydrogen-bonded Turntrans57.231.9173-53.4-177.8178.6-177.60114.6K96 A97K93-K96 HydrophobicContact CB-CB 4.41Å; K93-A97 HydrophobicContact CD-CB 4.37Å; K93-A97 HydrophobicContact CG-CB 4.5Å
94G85.3Confident92.3Very high62 Ų6251.1 Ų51.164%0.63926%0.264SS*.THydrogen-bonded Turntrans59.977.3178.600000112.5L92 K96L92-G94 VanDerWaalsContact C-N 3.26Å; L92-G94 PolarHBondContact O-N 2.84Å; G94-K96 PolarHBondContact O-N 2.97Å
95G88.1Confident92.3Very high36 Ų3653.7 Ų53.737%0.37128%0.278SS..THydrogen-bonded Turntrans73.5-26.9-178.600000116.4E91 A97E91-G95 WeakPolarHBondContact OE1-CA 3.31Å; E91-G95 PolarHBondContact OE1-N 2.93Å; E91-G95 WeakPolarHBondContact OE2-CA 3.19Å; G95-A97 PolarHBondContact O-N 2.93Å
96K89.6Confident92.3Very high189 Ų18951.8 Ų51.882%0.82227%0.272SS*.THydrogen-bonded Turntrans-77.1-16.9-166.7-66.2171.3-174.6178.10114.8K93 G94K93-K96 HydrophobicContact CB-CB 4.41Å; G94-K96 PolarHBondContact O-N 2.97Å
97A92.8Very high92.2Very high32 Ų3252.7 Ų52.726%0.26428%0.277SS..EExtended strand (participates in β ladder)trans-145.9169.9177.100000111.1L92 K93 G95L92-A97 HydrophobicContact CB-CB 3.96Å; L92-A97 PolarHBondContact N-O 3.11Å; L92-A97 CarbonylContact O-C 3.43Å; L92-A97 PolarHBondContact O-N 3.35Å; K93-A97 HydrophobicContact CD-CB 4.37Å; K93-A97 HydrophobicContact CG-CB 4.5Å; G95-A97 PolarHBondContact O-N 2.93Å
98Y92.9Very high92.2Very high120 Ų12052.5 Ų52.547%0.47128%0.275SS..EExtended strand (participates in β ladder)trans-148.2147.717361.6-89.9000111F32 R89 K90 K100F32-Y98 HydrophobicContact CZ-CD1 4.45Å; F32-Y98 HydrophobicContact CZ-CG 4.16Å; R89-Y98 HydrophobicContact CB-CD2 4.39Å; R89-Y98 HydrophobicContact CG-CD2 4.2Å; R89-Y98 PolarHBondContact NH1-OH 3.02Å; R89-Y98 VanDerWaalsContact NH1-OH 3.1Å; K90-Y98 CarbonylContact O-C 3.47Å; K90-Y98 WeakPolarHBondContact O-CA 3.18Å; K90-Y98 WeakPolarHBondContact O-CB 3.37Å; Y98-K100 HydrophobicContact CE2-CG 4.4Å
99S91.7Very high92.2Very high53 Ų5352.5 Ų52.537%0.37128%0.275SS..EExtended strand (participates in β ladder)trans-91.3154.9159-165.90000110R89 K90R89-S99 CarbonylContact C-O 3.48Å; R89-S99 VanDerWaalsContact CA-O 3.23Å; R89-S99 WeakPolarHBondContact CA-O 3.35Å; R89-S99 WeakPolarHBondContact CB-O 3.42Å; K90-S99 PolarHBondContact N-O 3.28Å; K90-S99 PolarHBondContact O-N 3Å
100K91.5Very high92.2Very high107 Ų10751.3 Ų51.347%0.46527%0.271SS..EExtended strand (participates in β ladder)trans-93.7124.9165-53.4175.5-170165.70107Y98 Y126Y98-K100 HydrophobicContact CE2-CG 4.4Å; K100-Y126 HydrophobicContact CB-CD2 3.47Å; K100-Y126 VanDerWaalsContact CB-CD2 3.47Å; K100-Y126 HydrophobicContact CB-CE2 3.61Å; K100-Y126 HydrophobicContact CB-CG 4.25Å; K100-Y126 HydrophobicContact CD-CD1 4.2Å; K100-Y126 HydrophobicContact CD-CD2 3.95Å; K100-Y126 HydrophobicContact CD-CE1 4.28Å; K100-Y126 HydrophobicContact CD-CE2 4.01Å; K100-Y126 HydrophobicContact CD-CG 4.01Å; K100-Y126 HydrophobicContact CG-CD2 4.33Å; K100-Y126 HydrophobicContact CG-CE2 4.25Å
101L90.4Very high92.2Very high24 Ų2449.8 Ų49.813%0.12626%0.264CS..EExtended strand (participates in β ladder)trans-85.1-62.1174.8-61.6-178.6000109.3F26 L31 V88 K90F26-L101 HydrophobicContact CE1-CD1 4.37Å; F26-L101 HydrophobicContact CE1-CD2 4.48Å; F26-L101 HydrophobicContact CZ-CD1 3.9Å; L31-L101 HydrophobicContact CD1-CD1 3.98Å; L31-L101 HydrophobicContact CD2-CD1 3.75Å; V88-L101 HydrophobicContact CG1-CB 4.47Å; V88-L101 HydrophobicContact CG1-CD1 4.12Å; V88-L101 PolarHBondContact O-N 2.74Å; K90-L101 HydrophobicContact CB-CD1 4.16Å; K90-L101 HydrophobicContact CB-CD2 3.93Å; K90-L101 HydrophobicContact CB-CG 4.05Å
102G92.6Very high92.2Very high1 Ų148.2 Ų48.21%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-165.1-172.8178.400000112.2V88 E124 Y126V88-G102 PolarHBondContact N-O 3.24Å; G102-E124 CarbonylContact C-O 3.59Å; G102-E124 WeakPolarHBondContact CA-O 3.24Å; G102-Y126 WeakPolarHBondContact O-CE2 3.36Å
103F93.6Very high92.1Very high19 Ų1947.6 Ų47.68%0.08327%0.27CS..EExtended strand (participates in β ladder)trans-141.5161.8176.765-82.1000111.4R85 V86 E124 Y126R85-F103 HydrophobicContact CG-CB 3.95Å; R85-F103 HydrophobicContact CG-CD2 4.01Å; R85-F103 HydrophobicContact CG-CG 4.33Å; V86-F103 CarbonylContact O-C 3.55Å; V86-F103 WeakPolarHBondContact O-CA 3.4Å; V86-F103 VanDerWaalsContact O-CB 3.24Å; V86-F103 WeakPolarHBondContact O-CB 3.23Å; F103-E124 HydrophobicContact CD1-CB 4.29Å; F103-E124 WeakPolarHBondContact CD1-O 3.39Å; F103-E124 HydrophobicContact CD2-CB 4.41Å; F103-E124 HydrophobicContact CE1-CB 3.9Å; F103-E124 HydrophobicContact CE2-CB 4.02Å; F103-E124 WeakPolarHBondContact CE2-OE2 3.35Å; F103-E124 HydrophobicContact CZ-CB 3.74Å; F103-E124 WeakPolarHBondContact CZ-OE2 3.22Å; F103-E124 PolarHBondContact N-O 2.84Å; F103-E124 WeakPolarHBondContact O-CB 3.21Å; F103-E124 PolarHBondContact O-N 2.93Å; F103-Y126 HydrophobicContact CB-CE1 4.46Å; F103-Y126 HydrophobicContact CB-CE2 4.2Å; F103-Y126 AromaticContact CD1-CD1 3.77Å; F103-Y126 HydrophobicContact CD1-CD1 3.77Å; F103-Y126 HydrophobicContact CD1-CD2 4.12Å; F103-Y126 AromaticContact CD1-CE1 3.57Å; F103-Y126 HydrophobicContact CD1-CE1 3.57Å; F103-Y126 AromaticContact CD1-CE2 3.95Å; F103-Y126 HydrophobicContact CD1-CE2 3.95Å; F103-Y126 HydrophobicContact CD1-CG 4.06Å; F103-Y126 AromaticContact CD1-CZ 3.69Å; F103-Y126 HydrophobicContact CE1-CD1 4.05Å; F103-Y126 HydrophobicContact CE1-CE1 4.19Å; F103-Y126 HydrophobicContact CE1-CG 4.42Å; F103-Y126 HydrophobicContact CG-CE1 4.24Å
104A94.1Very high92Very high3 Ų341.8 Ų41.83%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-126.5131.4166.400000108.2R85 V86 L106 C121 L138R85-A104 WeakPolarHBondContact CA-O 3.33Å; V86-A104 PolarHBondContact N-O 2.95Å; V86-A104 PolarHBondContact O-N 2.85Å; A104-L106 HydrophobicContact CB-CD1 3.87Å; A104-C121 HydrophobicContact CB-CB 3.89Å; A104-L138 HydrophobicContact CB-CD2 4Å
105D93.7Very high92.3Very high55 Ų5541 Ų4129%0.29424%0.244SC..EExtended strand (participates in β ladder)trans-100.4117171.7-92.1-2.6000109.5I83 R85I83-D105 HydrophobicContact CG2-CB 3.61Å; R85-D105 WeakPolarHBondContact CA-OD1 3.39Å; R85-D105 WeakPolarHBondContact CB-OD1 3.27Å; R85-D105 WeakPolarHBondContact CD-OD1 3.38Å; R85-D105 WeakPolarHBondContact CG-OD1 3.38Å; R85-D105 IonicContact CZ-OD1 3.55Å; R85-D105 IonicContact CZ-OD2 2.64Å; R85-D105 VanDerWaalsContact CZ-OD2 3.28Å; R85-D105 IonicContact NE-OD1 3.65Å; R85-D105 PolarHBondContact NE-OD1 2.89Å; R85-D105 IonicContact NE-OD2 3.43Å; R85-D105 PolarHBondContact NE-OD2 3.02Å; R85-D105 IonicContact NH2-OD1 2.68Å; R85-D105 IonicContact NH2-OD2 3.36Å; R85-D105 PolarHBondContact NH2-OD2 2.99Å
106L93.6Very high92.5Very high7 Ų743.4 Ų43.44%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-111.7120.4-179.7-66.292000109.5C84 V86 A104 I108 R119 V140 I142C84-L106 PolarHBondContact N-O 2.81Å; C84-L106 PolarHBondContact O-N 2.89Å; V86-L106 HydrophobicContact CG2-CD1 4.26Å; A104-L106 HydrophobicContact CB-CD1 3.87Å; L106-I108 PolarHBondContact O-N 3.16Å; L106-R119 HydrophobicContact CD2-CB 4.41Å; L106-V140 HydrophobicContact CD2-CG2 3.49Å; L106-V140 VanDerWaalsContact CD2-CG2 3.49Å; L106-I142 HydrophobicContact CD2-CD1 3.87Å
107N94.4Very high92.7Very high20 Ų2036.1 Ų36.111%0.10723%0.227CC..EExtended strand (participates in β ladder)trans-74.893.5173-179.327.1000109.9P81 C82 I83 S109 E110 F111P81-N107 WeakPolarHBondContact CA-OD1 3.48Å; C82-N107 PolarHBondContact N-OD1 3.01Å; C82-N107 CarbonylContact O-C 3.45Å; C82-N107 WeakPolarHBondContact O-CA 3.36Å; C82-N107 PolarHBondContact O-OD1 3.37Å; I83-N107 HydrophobicContact CD1-CB 3.84Å; N107-S109 PolarHBondContact O-N 3.42Å; N107-S109 PolarHBondContact OD1-OG 3.07Å; N107-S109 VanDerWaalsContact OD1-OG 3.06Å; N107-E110 HydrophobicContact CB-CG 4.19Å; N107-E110 WeakPolarHBondContact O-CB 3.25Å; N107-E110 WeakPolarHBondContact O-CG 3.4Å; N107-E110 PolarHBondContact O-N 3.04Å; N107-F111 WeakPolarHBondContact O-CE2 3.37Å
108I93.6Very high92.8Very high0 Ų038.1 Ų38.10%024%0.236CC..G310 helixtrans-69.2-15-172.858.2157.9000113.5V14 L37 F66 C68 M70 C82 C84 L106 E110 F111 I142V14-I108 HydrophobicContact CG2-CD1 3.96Å; L37-I108 HydrophobicContact CD1-CD1 3.85Å; L37-I108 HydrophobicContact CD1-CG1 4.45Å; F66-I108 HydrophobicContact CE2-CD1 4.27Å; C68-I108 HydrophobicContact CB-CD1 4.14Å; M70-I108 HydrophobicContact CE-CD1 3.96Å; M70-I108 HydrophobicContact CE-CG1 3.85Å; C82-I108 HydrophobicContact CB-CG1 4.16Å; C82-I108 VanDerWaalsContact O-CG1 3.27Å; C82-I108 WeakPolarHBondContact O-CG1 3.33Å; C82-I108 PolarHBondContact O-N 3.43Å; C84-I108 HydrophobicContact CB-CG2 3.64Å; L106-I108 PolarHBondContact O-N 3.16Å; I108-E110 PolarHBondContact O-N 3.06Å; I108-F111 PolarHBondContact O-N 2.84Å; I108-I142 HydrophobicContact CG2-CD1 4.4Å
109S93.9Very high92.9Very high0 Ų034.1 Ų34.10%022%0.22CC..G310 helixtrans-70.5-11173.864.20000114D80 N107 F111 T155 P156D80-S109 WeakPolarHBondContact O-CB 3.27Å; D80-S109 PolarHBondContact O-OG 3.06Å; N107-S109 PolarHBondContact O-N 3.42Å; N107-S109 PolarHBondContact OD1-OG 3.07Å; N107-S109 VanDerWaalsContact OD1-OG 3.06Å; S109-F111 VanDerWaalsContact C-N 3.3Å; S109-F111 PolarHBondContact O-N 2.79Å; S109-T155 WeakPolarHBondContact O-CG2 3.5Å; S109-P156 WeakPolarHBondContact O-CD 3.42Å
110E94.5Very high93Very high9 Ų934 Ų344%0.04222%0.219CC..G310 helixtrans-66.1-28.5171.6-65.7-179.4-163.600113.1N107 I108 P156 S158 T159N107-E110 HydrophobicContact CB-CG 4.19Å; N107-E110 WeakPolarHBondContact O-CB 3.25Å; N107-E110 WeakPolarHBondContact O-CG 3.4Å; N107-E110 PolarHBondContact O-N 3.04Å; I108-E110 PolarHBondContact O-N 3.06Å; E110-P156 HydrophobicContact CG-CG 4.1Å; E110-S158 WeakPolarHBondContact OE2-CA 3.36Å; E110-S158 VanDerWaalsContact OE2-CB 3.31Å; E110-S158 WeakPolarHBondContact OE2-CB 3.4Å; E110-S158 PolarHBondContact OE2-OG 2.82Å; E110-T159 PolarHBondContact OE1-N 2.94Å; E110-T159 PolarHBondContact OE1-OG1 2.78Å; E110-T159 PolarHBondContact OE2-N 2.91Å; E110-T159 PolarHBondContact OE2-OG1 2.8Å
111F94.3Very high93Very high11 Ų1130 Ų305%0.04820%0.203CC..G310 helixtrans-98.61.4-171.6-44.5-65.4000113.9N107 I108 S109 G113 S114 T117 R119 I142 M144N107-F111 WeakPolarHBondContact O-CE2 3.37Å; I108-F111 PolarHBondContact O-N 2.84Å; S109-F111 VanDerWaalsContact C-N 3.3Å; S109-F111 PolarHBondContact O-N 2.79Å; F111-G113 PolarHBondContact O-N 2.86Å; F111-G113 VanDerWaalsContact O-N 3.1Å; F111-S114 WeakPolarHBondContact O-CB 3.11Å; F111-S114 PolarHBondContact O-N 2.87Å; F111-T117 WeakPolarHBondContact CD1-OG1 3.45Å; F111-R119 HydrophobicContact CD1-CG 4.48Å; F111-R119 HydrophobicContact CE1-CG 3.61Å; F111-R119 HydrophobicContact CZ-CG 3.69Å; F111-I142 HydrophobicContact CB-CG2 4.11Å; F111-I142 HydrophobicContact CD2-CB 4.15Å; F111-I142 HydrophobicContact CD2-CD1 3.7Å; F111-I142 HydrophobicContact CD2-CG2 3.8Å; F111-I142 HydrophobicContact CE2-CD1 3.52Å; F111-I142 HydrophobicContact CG-CB 4.34Å; F111-I142 HydrophobicContact CG-CG2 4.13Å; F111-I142 HydrophobicContact CZ-CD1 4.25Å; F111-M144 HydrophobicContact CB-SD 4.24Å
112A93.9Very high93.2Very high4 Ų433.9 Ų33.93%0.03322%0.223CC..THydrogen-bonded Turntrans-66.4112-177.300000110.7F12 L79 M144 F153 T155F12-A112 HydrophobicContact CE1-CB 3.98Å; F12-A112 HydrophobicContact CE2-CB 4.49Å; F12-A112 HydrophobicContact CZ-CB 3.93Å; L79-A112 HydrophobicContact CD1-CB 3.55Å; A112-M144 HydrophobicContact CB-CE 3.8Å; A112-M144 HydrophobicContact CB-SD 4.12Å; A112-F153 HydrophobicContact CB-CE2 3.63Å; A112-F153 HydrophobicContact CB-CZ 3.98Å; A112-F153 WeakPolarHBondContact O-CE2 3.5Å; A112-T155 HydrophobicContact CB-CG2 4.11Å; A112-T155 WeakPolarHBondContact O-CG2 3.26Å
113G90.1Very high93.2Very high65 Ų6534.2 Ų34.267%0.6723%0.225SC*.THydrogen-bonded Turntrans87.8-1.6-175.500000115.1F111 G115F111-G113 PolarHBondContact O-N 2.86Å; F111-G113 VanDerWaalsContact O-N 3.1Å; G113-G115 PolarHBondContact O-N 2.93Å
114S88.6Confident93Very high61 Ų6138.3 Ų38.343%0.42724%0.244SC..SBendtrans-81.67178.9-52.30000114.4F111F111-S114 WeakPolarHBondContact O-CB 3.11Å; F111-S114 PolarHBondContact O-N 2.87Å
115G90.4Very high92.7Very high45 Ų4539.1 Ų39.146%0.46425%0.253SS..  trans76.5-126.4-172.500000111.6G113 G143 M144G113-G115 PolarHBondContact O-N 2.93Å; G115-G143 VanDerWaalsContact O-CA 3.27Å; G115-G143 WeakPolarHBondContact O-CA 3.45Å; G115-M144 PolarHBondContact O-N 3.11Å
116S93.2Very high92.1Very high87 Ų8740.3 Ų40.361%0.60825%0.254SS*.EExtended strand (participates in β ladder)trans-119.7124.1172.5-171.30000109T141 I142S116-T141 VanDerWaalsContact OG-CG2 3.31Å; S116-T141 WeakPolarHBondContact OG-CG2 3.41Å; S116-I142 WeakPolarHBondContact CA-O 3Å
117T94Very high91.1Very high36 Ų3644 Ų4422%0.22127%0.273CS..EExtended strand (participates in β ladder)trans-130.1135-170.156.70000111.9F111 I142F111-T117 WeakPolarHBondContact CD1-OG1 3.45Å; T117-I142 PolarHBondContact N-O 3.03Å; T117-I142 PolarHBondContact O-N 3.1Å; T117-I142 PolarHBondContact OG1-O 2.85Å
118V95Very high89.6Confident74 Ų7448.9 Ų48.945%0.44830%0.304SS..EExtended strand (participates in β ladder)trans-82140.3173.5-177.20000110.2E139 V140V118-E139 HydrophobicContact CG1-CG 3.71Å; V118-E139 WeakPolarHBondContact CG1-OE1 3.48Å; V118-V140 CarbonylContact C-O 3.57Å
119R93.3Very high88.1Confident36 Ų3657.4 Ų57.414%0.13634%0.341CS..EExtended strand (participates in β ladder)trans-138.9119.4177.9-68.3-65.4-73.792.88.2111.4L106 F111 V140 A160L106-R119 HydrophobicContact CD2-CB 4.41Å; F111-R119 HydrophobicContact CD1-CG 4.48Å; F111-R119 HydrophobicContact CE1-CG 3.61Å; F111-R119 HydrophobicContact CZ-CG 3.69Å; R119-V140 HydrophobicContact CB-CG2 4.27Å; R119-V140 PolarHBondContact N-O 2.79Å; R119-V140 PolarHBondContact O-N 3.23Å; R119-A160 VanDerWaalsContact CZ-CB 3.44Å
120C94.4Very high86Confident51 Ų5164.4 Ų64.435%0.34538%0.379SS..EExtended strand (participates in β ladder)trans-87.6136.6167-45.60000110.3I137 L138C120-I137 HydrophobicContact CB-CG2 3.73Å; C120-L138 CarbonylContact C-O 3.51Å; C120-L138 WeakPolarHBondContact CA-O 3.18Å
121C92.5Very high84.1Confident22 Ų2267.7 Ų67.715%0.14940%0.4CS..EExtended strand (participates in β ladder)trans-137.9134.4178.6-70.30000110.2A104 L138A104-C121 HydrophobicContact CB-CB 3.89Å; C121-L138 PolarHBondContact N-O 2.86Å; C121-L138 PolarHBondContact O-N 2.86Å
122I93.5Very high82.3Confident105 Ų10577.6 Ų77.654%0.53844%0.436SS..EExtended strand (participates in β ladder)trans-76.9145.3170.6-60.7170.2000108.6I137I122-I137 HydrophobicContact CG1-CG1 4.43Å
123L92.3Very high80.8Confident8 Ų883.6 Ų83.64%0.04246%0.464CS..PPolyproline II helixtrans-74.8127.8175.7-63.3-174.1000112.7L21 V88 S136 L138L21-L123 HydrophobicContact CD1-CD1 3.8Å; L21-L123 HydrophobicContact CD1-CD2 4.35Å; L21-L123 HydrophobicContact CD1-CG 4.01Å; L21-L123 HydrophobicContact CD2-CD1 4.11Å; V88-L123 HydrophobicContact CB-CD1 4.01Å; V88-L123 HydrophobicContact CG1-CD1 4.36Å; V88-L123 HydrophobicContact CG2-CD1 3.75Å; V88-L123 HydrophobicContact CG2-CD2 3.61Å; V88-L123 HydrophobicContact CG2-CG 4.36Å; L123-S136 PolarHBondContact N-O 2.76Å; L123-L138 HydrophobicContact CD2-CB 4.08Å; L123-L138 HydrophobicContact CD2-CD2 4.43Å
124E90.5Very high79.7Confident106 Ų10681.7 Ų81.750%0.49544%0.438SS..EExtended strand (participates in β ladder)trans-82.3134168.9-64.5-178.8-164.600111G102 F103G102-E124 CarbonylContact C-O 3.59Å; G102-E124 WeakPolarHBondContact CA-O 3.24Å; F103-E124 HydrophobicContact CD1-CB 4.29Å; F103-E124 WeakPolarHBondContact CD1-O 3.39Å; F103-E124 HydrophobicContact CD2-CB 4.41Å; F103-E124 HydrophobicContact CE1-CB 3.9Å; F103-E124 HydrophobicContact CE2-CB 4.02Å; F103-E124 WeakPolarHBondContact CE2-OE2 3.35Å; F103-E124 HydrophobicContact CZ-CB 3.74Å; F103-E124 WeakPolarHBondContact CZ-OE2 3.22Å; F103-E124 PolarHBondContact N-O 2.84Å; F103-E124 WeakPolarHBondContact O-CB 3.21Å; F103-E124 PolarHBondContact O-N 2.93Å
125G86.9Confident79.6Confident20 Ų2084.3 Ų84.321%0.20645%0.447CS..EExtended strand (participates in β ladder)trans-72.6141.8177.100000113
126Y81.6Confident79.7Confident80 Ų8082.2 Ų82.231%0.31443%0.426SS..SBendtrans-78-22.9177.7-81.2-76.4000114.8S87 K100 G102 F103S87-Y126 WeakPolarHBondContact CB-OH 3.31Å; S87-Y126 PolarHBondContact OG-OH 3.25Å; S87-Y126 VanDerWaalsContact OG-OH 3.05Å; K100-Y126 HydrophobicContact CB-CD2 3.47Å; K100-Y126 VanDerWaalsContact CB-CD2 3.47Å; K100-Y126 HydrophobicContact CB-CE2 3.61Å; K100-Y126 HydrophobicContact CB-CG 4.25Å; K100-Y126 HydrophobicContact CD-CD1 4.2Å; K100-Y126 HydrophobicContact CD-CD2 3.95Å; K100-Y126 HydrophobicContact CD-CE1 4.28Å; K100-Y126 HydrophobicContact CD-CE2 4.01Å; K100-Y126 HydrophobicContact CD-CG 4.01Å; K100-Y126 HydrophobicContact CG-CD2 4.33Å; K100-Y126 HydrophobicContact CG-CE2 4.25Å; G102-Y126 WeakPolarHBondContact O-CE2 3.36Å; F103-Y126 HydrophobicContact CB-CE1 4.46Å; F103-Y126 HydrophobicContact CB-CE2 4.2Å; F103-Y126 AromaticContact CD1-CD1 3.77Å; F103-Y126 HydrophobicContact CD1-CD1 3.77Å; F103-Y126 HydrophobicContact CD1-CD2 4.12Å; F103-Y126 AromaticContact CD1-CE1 3.57Å; F103-Y126 HydrophobicContact CD1-CE1 3.57Å; F103-Y126 AromaticContact CD1-CE2 3.95Å; F103-Y126 HydrophobicContact CD1-CE2 3.95Å; F103-Y126 HydrophobicContact CD1-CG 4.06Å; F103-Y126 AromaticContact CD1-CZ 3.69Å; F103-Y126 HydrophobicContact CE1-CD1 4.05Å; F103-Y126 HydrophobicContact CE1-CE1 4.19Å; F103-Y126 HydrophobicContact CE1-CG 4.42Å; F103-Y126 HydrophobicContact CG-CE1 4.24Å
127D71.6Confident79.8Confident83 Ų8381.2 Ų81.244%0.44441%0.413SS..  trans-131.3127.9173.4-178.20.3000107.4K129D127-K129 VanDerWaalsContact C-N 3.29Å; D127-K129 WeakPolarHBondContact OD1-CB 3.2Å; D127-K129 PolarHBondContact OD1-N 2.75Å
128T62.8Low79.9Confident123 Ų12379.6 Ų79.676%0.75540%0.403SS*.SBendtrans-82.2-6-179.352.80000113.2
129K62.1Low80Confident180 Ų18078.6 Ų78.678%0.78339%0.393SS*.SBendtrans-99.6-29.6-167-63.4-170.9176.1-173.60116.1D127D127-K129 VanDerWaalsContact C-N 3.29Å; D127-K129 WeakPolarHBondContact OD1-CB 3.2Å; D127-K129 PolarHBondContact OD1-N 2.75Å
130N51.3Low80.1Confident147 Ų14776.9 Ų76.979%0.78639%0.387SS*.SBendtrans-15634.7-175.7-152.19.4000115.6
131T54.6Low80.3Confident78 Ų7875.4 Ų75.448%0.47938%0.376SS..SBendtrans-133.9134.7167.7-60.40000107.4Q133T131-Q133 PolarHBondContact O-N 2.95Å
132R56.8Low80.4Confident218 Ų21874.3 Ų74.382%0.82337%0.369SS*.  trans-56.8138.2172.7-80.7-173.3168.9-162.3-3.5108.1D134R132-D134 PolarHBondContact O-N 2.91Å
133Q60.9Low80.5Confident130 Ų13069.6 Ų69.661%0.60735%0.347SS*.  trans-68.596.2162.7-70.9176.8-15.100105.7T131 N135T131-Q133 PolarHBondContact O-N 2.95Å; Q133-N135 PolarHBondContact O-N 2.84Å
134D66.8Low80.6Confident25 Ų2570 Ų7013%0.13435%0.348CS..  trans-62103.8177.1-71.7-16.3000106.7P25 R132 S136P25-D134 HydrophobicContact CG-CB 4.31Å; P25-D134 WeakPolarHBondContact CG-OD1 3.49Å; R132-D134 PolarHBondContact O-N 2.91Å; D134-S136 PolarHBondContact O-N 2.79Å
135N86.7Confident80.9Confident116 Ų11668.4 Ų68.462%0.6235%0.346SS*.  trans-6724.7179.3-72.1-38.9000113.1Q133Q133-N135 PolarHBondContact O-N 2.84Å
136S92.7Very high81.3Confident2 Ų270.3 Ų70.31%0.01435%0.351CS..  trans-65.1134.2174.4-51.50000109.9T22 A23 V24 L123 D134T22-S136 CarbonylContact O-C 3.54Å; T22-S136 WeakPolarHBondContact O-CA 3.24Å; T22-S136 VanDerWaalsContact O-CB 3.23Å; T22-S136 WeakPolarHBondContact O-CB 3.4Å; A23-S136 WeakPolarHBondContact O-CA 3.25Å; A23-S136 PolarHBondContact O-OG 2.97Å; V24-S136 WeakPolarHBondContact CA-OG 3.43Å; L123-S136 PolarHBondContact N-O 2.76Å; D134-S136 PolarHBondContact O-N 2.79Å
137I95Very high81.9Confident66 Ų6671 Ų7134%0.33836%0.36SS..EExtended strand (participates in β ladder)trans-103.8112.3-174.1-58.4172.1000107.7L21 T22 C120 I122L21-I137 WeakPolarHBondContact CA-O 3.45Å; T22-I137 PolarHBondContact N-O 3.39Å; T22-I137 PolarHBondContact O-N 3.43Å; T22-I137 PolarHBondContact OG1-O 3.36Å; C120-I137 HydrophobicContact CB-CG2 3.73Å; I122-I137 HydrophobicContact CG1-CG1 4.43Å
138L95.9Very high83Confident1 Ų169.2 Ų69.21%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-82.1124.9174.9-175.774.8000109.1L18 L21 W60 V86 V88 A104 C120 C121 L123 V140L18-L138 HydrophobicContact CD1-CD1 3.87Å; L21-L138 HydrophobicContact CB-CD1 4.29Å; L21-L138 HydrophobicContact CD1-CB 3.95Å; L21-L138 HydrophobicContact CD1-CD1 4.18Å; W60-L138 HydrophobicContact CZ3-CD1 4.06Å; V86-L138 HydrophobicContact CB-CD2 3.74Å; V86-L138 HydrophobicContact CG1-CD2 3.75Å; V86-L138 HydrophobicContact CG2-CD2 4.09Å; V88-L138 HydrophobicContact CG2-CD1 4.5Å; A104-L138 HydrophobicContact CB-CD2 4Å; C120-L138 CarbonylContact C-O 3.51Å; C120-L138 WeakPolarHBondContact CA-O 3.18Å; C121-L138 PolarHBondContact N-O 2.86Å; C121-L138 PolarHBondContact O-N 2.86Å; L123-L138 HydrophobicContact CD2-CB 4.08Å; L123-L138 HydrophobicContact CD2-CD2 4.43Å; L138-V140 HydrophobicContact CD2-CG1 4.19Å; L138-V140 HydrophobicContact CG-CG1 4.13Å
139E97.3Very high84.4Confident53 Ų5365.2 Ų65.225%0.24834%0.337CS..EExtended strand (participates in β ladder)trans-106.7130.6174.3-170.2168.714100111.1E19 E20 V118E19-E139 HydrophobicContact CB-CB 4.41Å; E19-E139 HydrophobicContact CB-CG 4.38Å; E19-E139 HydrophobicContact CG-CG 4.46Å; E19-E139 PolarHBondContact N-O 2.87Å; E19-E139 VanDerWaalsContact N-O 3.11Å; E20-E139 HydrophobicContact CG-CB 4.39Å; E20-E139 PolarHBondContact N-O 3Å; E20-E139 PolarHBondContact O-N 2.9Å; V118-E139 HydrophobicContact CG1-CG 3.71Å; V118-E139 WeakPolarHBondContact CG1-OE1 3.48Å
140V96.8Very high85.7Confident1 Ų159.8 Ų59.81%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-139.1144.3178-56.50000111.3F16 V17 L18 L106 V118 R119 L138 I142F16-V140 HydrophobicContact CE1-CB 4.15Å; F16-V140 HydrophobicContact CE1-CG1 3.96Å; F16-V140 HydrophobicContact CE2-CB 4.43Å; F16-V140 HydrophobicContact CE2-CG2 4.3Å; F16-V140 HydrophobicContact CZ-CB 3.83Å; F16-V140 HydrophobicContact CZ-CG1 3.73Å; F16-V140 HydrophobicContact CZ-CG2 4.05Å; V17-V140 CarbonylContact O-C 3.54Å; V17-V140 WeakPolarHBondContact O-CA 3.44Å; V17-V140 VanDerWaalsContact O-CB 3.31Å; V17-V140 WeakPolarHBondContact O-CB 3.27Å; L18-V140 HydrophobicContact CD1-CG1 4.17Å; L106-V140 HydrophobicContact CD2-CG2 3.49Å; L106-V140 VanDerWaalsContact CD2-CG2 3.49Å; V118-V140 CarbonylContact C-O 3.57Å; R119-V140 HydrophobicContact CB-CG2 4.27Å; R119-V140 PolarHBondContact N-O 2.79Å; R119-V140 PolarHBondContact O-N 3.23Å; L138-V140 HydrophobicContact CD2-CG1 4.19Å; L138-V140 HydrophobicContact CG-CG1 4.13Å; V140-I142 HydrophobicContact CG2-CD1 4.19Å; V140-I142 HydrophobicContact CG2-CG1 4.27Å
141T96.8Very high87.6Confident19 Ų1957.3 Ų57.312%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-104.9128.6172.3-56.30000109.6V17 E19 S116V17-T141 PolarHBondContact N-O 2.9Å; V17-T141 PolarHBondContact O-N 2.82Å; E19-T141 VanDerWaalsContact OE1-CB 3.24Å; E19-T141 WeakPolarHBondContact OE1-CB 3.16Å; E19-T141 PolarHBondContact OE1-OG1 3.04Å; S116-T141 VanDerWaalsContact OG-CG2 3.31Å; S116-T141 WeakPolarHBondContact OG-CG2 3.41Å
142I95.9Very high89.2Confident0 Ų057.9 Ų57.90%032%0.315CS..EExtended strand (participates in β ladder)trans-122.9122.4-178-56.7169.5000109.1V14 F16 L106 I108 F111 S116 T117 V140 M144V14-I142 HydrophobicContact CG1-CG2 4.42Å; F16-I142 HydrophobicContact CD2-CD1 4.36Å; F16-I142 HydrophobicContact CD2-CG1 3.86Å; F16-I142 HydrophobicContact CE2-CD1 4.09Å; F16-I142 HydrophobicContact CE2-CG1 3.98Å; L106-I142 HydrophobicContact CD2-CD1 3.87Å; I108-I142 HydrophobicContact CG2-CD1 4.4Å; F111-I142 HydrophobicContact CB-CG2 4.11Å; F111-I142 HydrophobicContact CD2-CB 4.15Å; F111-I142 HydrophobicContact CD2-CD1 3.7Å; F111-I142 HydrophobicContact CD2-CG2 3.8Å; F111-I142 HydrophobicContact CE2-CD1 3.52Å; F111-I142 HydrophobicContact CG-CB 4.34Å; F111-I142 HydrophobicContact CG-CG2 4.13Å; F111-I142 HydrophobicContact CZ-CD1 4.25Å; S116-I142 WeakPolarHBondContact CA-O 3Å; T117-I142 PolarHBondContact N-O 3.03Å; T117-I142 PolarHBondContact O-N 3.1Å; T117-I142 PolarHBondContact OG1-O 2.85Å; V140-I142 HydrophobicContact CG2-CD1 4.19Å; V140-I142 HydrophobicContact CG2-CG1 4.27Å; I142-M144 HydrophobicContact CG2-CG 4.44Å
143G95.5Very high90.9Very high6 Ų649.4 Ų49.46%0.06228%0.284CS..EExtended strand (participates in β ladder)trans-122.8146.1169.800000112H15 G115H15-G143 PolarHBondContact N-O 3.35Å; H15-G143 PolarHBondContact O-N 2.72Å; G115-G143 VanDerWaalsContact O-CA 3.27Å; G115-G143 WeakPolarHBondContact O-CA 3.45Å
144M94.8Very high92.5Very high15 Ų1549.5 Ų49.57%0.07428%0.282CS..EExtended strand (participates in β ladder)trans-136.4129.6-175.6-71.1-1766600113.6F12 Q13 V14 M70 F111 A112 G115 I142F12-M144 HydrophobicContact CB-CE 3.54Å; F12-M144 HydrophobicContact CD1-CE 3.82Å; F12-M144 HydrophobicContact CD2-CE 3.78Å; F12-M144 HydrophobicContact CE1-CE 4.45Å; F12-M144 HydrophobicContact CE2-CE 4.41Å; F12-M144 HydrophobicContact CG-CE 3.44Å; F12-M144 VanDerWaalsContact CG-CE 3.44Å; Q13-M144 WeakPolarHBondContact O-CA 3.04Å; V14-M144 HydrophobicContact CG2-CE 4.46Å; V14-M144 HydrophobicContact CG2-CG 4.39Å; M70-M144 HydrophobicContact CE-CE 3.65Å; M70-M144 HydrophobicContact SD-CE 4.17Å; F111-M144 HydrophobicContact CB-SD 4.24Å; A112-M144 HydrophobicContact CB-CE 3.8Å; A112-M144 HydrophobicContact CB-SD 4.12Å; G115-M144 PolarHBondContact O-N 3.11Å; I142-M144 HydrophobicContact CG2-CG 4.44Å
145T95.4Very high93.8Very high74 Ų7450.9 Ų50.945%0.45429%0.292SS..EExtended strand (participates in β ladder)trans-117.9125.5178-53.10000109.9F12 Q13 L147F12-T145 CarbonylContact C-O 3.54Å; F12-T145 VanDerWaalsContact CA-O 3.25Å; F12-T145 WeakPolarHBondContact CA-O 3.03Å; Q13-T145 PolarHBondContact N-O 2.85Å; Q13-T145 PolarHBondContact O-N 3.13Å; T145-L147 PolarHBondContact O-N 3.38Å
146L95.8Very high93.9Very high59 Ų5946.1 Ų46.131%0.30927%0.267SS..EExtended strand (participates in β ladder)trans-70.1119.3176.7-178.967.7000110.3F10 F12 P151F10-L146 HydrophobicContact CB-CD1 4.4Å; F10-L146 HydrophobicContact CD1-CD1 4.46Å; F12-L146 HydrophobicContact CD1-CB 4.09Å; F12-L146 HydrophobicContact CD1-CD1 4.01Å; F12-L146 HydrophobicContact CE1-CB 3.96Å; F12-L146 HydrophobicContact CE1-CD1 3.59Å; F12-L146 HydrophobicContact CE1-CG 4.35Å; F12-L146 HydrophobicContact CE2-CD1 4.42Å; F12-L146 HydrophobicContact CZ-CD1 3.82Å; L146-P151 HydrophobicContact CD2-CB 4.35Å; L146-P151 HydrophobicContact CD2-CG 4.09Å
147L95.3Very high93.6Very high95 Ų9551.9 Ų51.950%0.49730%0.304SS..EExtended strand (participates in β ladder)trans-95.6-35177.9-66.5177.1000113K11 Q13 V67 T145K11-L147 HydrophobicContact CB-CB 4.24Å; K11-L147 PolarHBondContact O-N 2.96Å; Q13-L147 HydrophobicContact CB-CD1 3.95Å; Q13-L147 HydrophobicContact CB-CD2 4.15Å; Q13-L147 HydrophobicContact CB-CG 4.01Å; V67-L147 HydrophobicContact CG1-CD1 4.31Å; V67-L147 HydrophobicContact CG2-CD1 4.04Å; T145-L147 PolarHBondContact O-N 3.38Å
148S93.8Very high92.9Very high46 Ų4651.7 Ų51.732%0.32231%0.309SS..EExtended strand (participates in β ladder)trans-160.8136.6175.3700000110.9F10 K11F10-S148 CarbonylContact C-O 3.59Å; F10-S148 VanDerWaalsContact CA-O 3.29Å; F10-S148 WeakPolarHBondContact CA-O 3.45Å; K11-S148 WeakPolarHBondContact CB-OG 3.43Å; K11-S148 VanDerWaalsContact CD-OG 3.27Å; K11-S148 WeakPolarHBondContact CD-OG 3.21Å; K11-S148 VanDerWaalsContact CG-OG 3.24Å; K11-S148 WeakPolarHBondContact CG-OG 3.38Å; K11-S148 PolarHBondContact N-O 2.8Å; K11-S148 PolarHBondContact O-N 2.85Å
149G92.4Very high91.7Very high39 Ų3957.1 Ų57.140%0.40234%0.342SS..SBendtrans141.7173.1-177.900000109.7
150D90.1Very high89.9Confident65 Ų6556 Ų5635%0.34834%0.342SS..  trans-76.6126.1171.71765.3000109.3K8 F10 C152K8-D150 IonicContact NZ-OD2 2.65Å; K8-D150 PolarHBondContact NZ-OD2 3.39Å; F10-D150 HydrophobicContact CE1-CB 4.49Å; F10-D150 VanDerWaalsContact CE1-O 3.25Å; F10-D150 WeakPolarHBondContact CE1-O 3.18Å; D150-C152 PolarHBondContact O-N 3.35Å; D150-C152 VanDerWaalsContact O-N 3.12Å; D150-C152 VanDerWaalsContact OD1-CB 3.23Å; D150-C152 WeakPolarHBondContact OD1-CB 3.41Å; D150-C152 PolarHBondContact OD1-N 3.16Å; D150-C152 PolarHBondContact OD1-SG 3.04Å
151P89.7Confident87.7Confident96 Ų9665.4 Ų65.462%0.62338%0.383SS*.SBendtrans-58.8-19.4173.7-24.735.4000113.9L146 F153L146-P151 HydrophobicContact CD2-CB 4.35Å; L146-P151 HydrophobicContact CD2-CG 4.09Å; P151-F153 VanDerWaalsContact C-N 3.29Å; P151-F153 WeakPolarHBondContact O-CD1 3.27Å; P151-F153 PolarHBondContact O-N 3.07Å
152C89.5Confident85.1Confident90 Ų9068.9 Ų68.961%0.60841%0.408SS*.  trans-78.373177.4-57.40000112.2K8 D150K8-C152 PolarHBondContact NZ-O 3.32Å; D150-C152 PolarHBondContact O-N 3.35Å; D150-C152 VanDerWaalsContact O-N 3.12Å; D150-C152 VanDerWaalsContact OD1-CB 3.23Å; D150-C152 WeakPolarHBondContact OD1-CB 3.41Å; D150-C152 PolarHBondContact OD1-N 3.16Å; D150-C152 PolarHBondContact OD1-SG 3.04Å
153F92.4Very high82.6Confident40 Ų4074.4 Ų74.418%0.17544%0.441CS..  trans-121.5170.3167.266.3-93.6000111F10 F12 L79 A112 P151 T155F10-F153 HydrophobicContact CD1-CD1 4.35Å; F10-F153 HydrophobicContact CE1-CB 3.96Å; F10-F153 HydrophobicContact CE1-CD1 4.25Å; F10-F153 HydrophobicContact CE1-CG 4.48Å; F10-F153 HydrophobicContact CZ-CB 4.01Å; F12-F153 AromaticContact CE1-CE1 3.95Å; F12-F153 HydrophobicContact CE1-CE1 3.95Å; F12-F153 AromaticContact CE1-CZ 3.81Å; F12-F153 HydrophobicContact CE1-CZ 3.81Å; F12-F153 HydrophobicContact CZ-CD1 4.31Å; F12-F153 AromaticContact CZ-CE1 3.79Å; F12-F153 HydrophobicContact CZ-CE1 3.79Å; F12-F153 HydrophobicContact CZ-CE2 4.24Å; F12-F153 AromaticContact CZ-CZ 3.76Å; F12-F153 HydrophobicContact CZ-CZ 3.76Å; L79-F153 HydrophobicContact CD1-CD2 3.56Å; L79-F153 HydrophobicContact CD1-CE2 3.79Å; L79-F153 HydrophobicContact CD1-CG 4.35Å; L79-F153 HydrophobicContact CD2-CB 4.29Å; L79-F153 HydrophobicContact CD2-CD2 4.33Å; L79-F153 HydrophobicContact CD2-CG 4.36Å; L79-F153 HydrophobicContact CG-CB 4.34Å; L79-F153 HydrophobicContact CG-CD2 3.81Å; L79-F153 HydrophobicContact CG-CG 4.29Å; A112-F153 HydrophobicContact CB-CE2 3.63Å; A112-F153 HydrophobicContact CB-CZ 3.98Å; A112-F153 WeakPolarHBondContact O-CE2 3.5Å; P151-F153 VanDerWaalsContact C-N 3.29Å; P151-F153 WeakPolarHBondContact O-CD1 3.27Å; P151-F153 PolarHBondContact O-N 3.07Å; F153-T155 HydrophobicContact CE2-CG2 4.4Å
154K94Very high79.7Confident132 Ų13281.4 Ų81.457%0.57448%0.477SS*.BIsolated β-bridgetrans-123.3145.2169.7-63.8174.7-174.8164.70109.5T76 G77 V78 L79T76-K154 PolarHBondContact O-NZ 3.4Å; G77-K154 PolarHBondContact O-N 3.29Å; V78-K154 CarbonylContact C-O 3.53Å; V78-K154 WeakPolarHBondContact CA-O 3.42Å; V78-K154 HydrophobicContact CG2-CB 4Å; V78-K154 HydrophobicContact CG2-CD 4.33Å; L79-K154 PolarHBondContact N-O 3.42Å
155T93.3Very high77.3Confident54 Ų5486.8 Ų86.833%0.33150%0.504SS..PPolyproline II helixtrans-76.5152.8167.751.70000110.3S109 A112 F153S109-T155 WeakPolarHBondContact O-CG2 3.5Å; A112-T155 HydrophobicContact CB-CG2 4.11Å; A112-T155 WeakPolarHBondContact O-CG2 3.26Å; F153-T155 HydrophobicContact CE2-CG2 4.4Å
156P90.3Very high74.2Confident16 Ų1686 Ų8610%0.10451%0.512CS..PPolyproline II helixtrans-65.1155.6164.828.3-32.7000110.3V78 S109 E110 S158V78-P156 HydrophobicContact CG1-CB 4.12Å; S109-P156 WeakPolarHBondContact O-CD 3.42Å; E110-P156 HydrophobicContact CG-CG 4.1Å; P156-S158 PolarHBondContact O-N 3.33Å
157P85.7Confident71.3Confident122 Ų12291 Ų9179%0.79254%0.538SS*.PPolyproline II helixtrans-56131.2174.5-21.732.8000110.2T159P157-T159 PolarHBondContact O-N 2.89Å
158S80.2Confident68.5Low63 Ų6395 Ų9544%0.44155%0.554SS.*PPolyproline II helixtrans-68.3134.7-175.7-175.10000111.5E110 P156 A160E110-S158 WeakPolarHBondContact OE2-CA 3.36Å; E110-S158 VanDerWaalsContact OE2-CB 3.31Å; E110-S158 WeakPolarHBondContact OE2-CB 3.4Å; E110-S158 PolarHBondContact OE2-OG 2.82Å; P156-S158 PolarHBondContact O-N 3.33Å; S158-A160 PolarHBondContact O-N 2.9Å; S158-A160 VanDerWaalsContact OG-CB 3.22Å; S158-A160 WeakPolarHBondContact OG-CB 3.48Å; S158-A160 PolarHBondContact OG-N 2.81Å; S158-A160 VanDerWaalsContact OG-N 3.16Å
159T70.2Confident65.5Low115 Ų11599.4 Ų99.471%0.70657%0.574SS**  trans-76.40171.851.70000112.6E110 P157E110-T159 PolarHBondContact OE1-N 2.94Å; E110-T159 PolarHBondContact OE1-OG1 2.78Å; E110-T159 PolarHBondContact OE2-N 2.91Å; E110-T159 PolarHBondContact OE2-OG1 2.8Å; P157-T159 PolarHBondContact O-N 2.89Å
160A59.8Low63Low29 Ų29102.9 Ų102.924%0.2459%0.589CS.*  trans-71.5130.4178.200000113.3R119 S158 S162R119-A160 VanDerWaalsContact CZ-CB 3.44Å; S158-A160 PolarHBondContact O-N 2.9Å; S158-A160 VanDerWaalsContact OG-CB 3.22Å; S158-A160 WeakPolarHBondContact OG-CB 3.48Å; S158-A160 PolarHBondContact OG-N 2.81Å; S158-A160 VanDerWaalsContact OG-N 3.16Å; A160-S162 PolarHBondContact O-N 3.02Å
161K50.3Low60.6Low198 Ų198105.8 Ų105.886%0.86161%0.605SS**  trans-7899.9138.1-66.9-179.5-177.1177.60106.4V163K161-V163 PolarHBondContact O-N 3.42Å
162S43.7Very low58Low92 Ų92109.1 Ų109.164%0.64362%0.616SS**  trans-68.4102.6174.556.40000109.4A160 L164A160-S162 PolarHBondContact O-N 3.02Å; S162-L164 VanDerWaalsContact C-N 3.32Å; S162-L164 PolarHBondContact O-N 2.97Å; S162-L164 VanDerWaalsContact O-N 3.07Å
163V42.1Very low55.6Low116 Ų116112.7 Ų112.770%0.70362%0.624SS**  trans-68.9100.6155.9179.90000105.7K161 I165K161-V163 PolarHBondContact O-N 3.42Å; V163-I165 PolarHBondContact O-N 2.82Å
164L36.2Very low53Low153 Ų153118.5 Ų118.580%0.80166%0.656SS**  trans-65.3104.5160.3-72.9170.9000105.9S162 G166S162-L164 VanDerWaalsContact C-N 3.32Å; S162-L164 PolarHBondContact O-N 2.97Å; S162-L164 VanDerWaalsContact O-N 3.07Å; L164-G166 VanDerWaalsContact C-N 3.35Å; L164-G166 PolarHBondContact O-N 3.05Å
165I42.6Very low50Low128 Ų128117.1 Ų117.166%0.65667%0.669SS**  trans-62107.8160.3-61.7176.5000104.4V163V163-I165 PolarHBondContact O-N 2.82Å
166G30.9Very low47.4Very low59 Ų59119.9 Ų119.961%0.60869%0.69SS**  trans-59.5144-176.700000110.5L164L164-G166 VanDerWaalsContact C-N 3.35Å; L164-G166 PolarHBondContact O-N 3.05Å
167L36.2Very low44.8Very low164 Ų164128.5 Ų128.586%0.85973%0.726SS**  trans-49.2140157.8-177.267.7000108.4D169L167-D169 PolarHBondContact O-N 3.26Å
168E35Very low42.4Very low177 Ų177126.9 Ų126.983%0.82773%0.731SS**  trans-59.9111.4177.9-73.8-177.783.900110.9P170E168-P170 WeakPolarHBondContact O-CD 3.47Å
169D31Very low40.1Very low140 Ų140130.8 Ų130.875%0.74975%0.747SS**  trans-96.493.3158.7-88.2-46000108.1L167 N171L167-D169 PolarHBondContact O-N 3.26Å; D169-N171 PolarHBondContact O-N 2.87Å
170P41Very low38.5Very low111 Ų111130.2 Ų130.272%0.72175%0.747SS**THydrogen-bonded Turntrans-78.153.5-173.934-38.9000112.3E168E168-P170 WeakPolarHBondContact O-CD 3.47Å
171N37.8Very low37.1Very low127 Ų127135.6 Ų135.668%0.67978%0.778SS**THydrogen-bonded Turntrans-150.816.1177.6-123.7-100.2000117.2D169 Q173D169-N171 PolarHBondContact O-N 2.87Å; N171-Q173 PolarHBondContact O-N 3.08Å
172L36.7Very low36.2Very low165 Ų165130 Ų13086%0.86477%0.769SS**  trans-78.289.3168-66.4-176.2000110.8
173Q38.1Very low35.5Very low165 Ų165130.7 Ų130.777%0.77177%0.773SS**  trans-64131.9177.8-62.1-177.226.700111.6N171 A175N171-Q173 PolarHBondContact O-N 3.08Å; Q173-A175 PolarHBondContact O-N 2.71Å
174L39.1Very low35Very low163 Ų163133.3 Ų133.385%0.85378%0.782SS**  trans-68.593.5170.3-79.5161.9000110C176L174-C176 PolarHBondContact O-N 3.49Å
175A30.7Very low34.7Very low102 Ų102134.6 Ų134.684%0.84378%0.784SS**  trans-73.650.3179.200000113.3Q173 K177Q173-A175 PolarHBondContact O-N 2.71Å; A175-K177 PolarHBondContact O-N 2.87Å
176C38.5Very low34.8Very low113 Ų113133.4 Ų133.476%0.76479%0.785SS**  trans-9679.2177.1-64.30000110.6L174L174-C176 PolarHBondContact O-N 3.49Å
177K35Very low35.5Very low197 Ų197136.4 Ų136.486%0.85779%0.793SS**  trans-147.790.6168.2-153.4173.1-172.3-178.60113.7A175A175-K177 PolarHBondContact O-N 2.87Å
178G34.9Very low35.1Very low88 Ų88132.6 Ų132.691%0.90779%0.794SS**  trans-107.196.8159.100000109.4
179D32.5Very low34.8Very low144 Ų144127.3 Ų127.377%0.7779%0.787SS**  trans-153.7151.7161.8-167.814.3000109.3
180S36.2Very low34.9Very low103 Ų103128.8 Ų128.872%0.7279%0.793SS**  trans-138.7117.7-172-66.90000111.6
181T31.7Very low34.5Very low143 Ų143129 Ų12988%0.87779%0.792SS**  trans-165.1130.9152.5-84.40000113.1
182A30.9Very low34.3Very low81 Ų81131.9 Ų131.967%0.66980%0.801SS**  trans25.2129.2154.300000124
183S29.7Very low34.1Very low105 Ų105127.2 Ų127.273%0.73479%0.793SS**  trans53.1135135.167.70000120.4
184L31.3Very low34.3Very low172 Ų172126 Ų12690%0.90180%0.799SS**  -149.1173.550.4-81163.8000113.8
185Q30.1Very low34Very low180 Ų180121.6 Ų121.684%0.84179%0.794SS**  trans-126-178179.5-127.2-169.2-0.700108.5
186P44.7Very low34Very low103 Ų103122 Ų12267%0.66980%0.797SS**  cis-131.2-142.7-10.643.7-23.4000109.9
187P45.4Very low33.9Very low121 Ų121123.2 Ų123.279%0.78680%0.801SS**  cis-134.4158.7-1936.5-18.1000117.8
188G28Very low34Very low85 Ų85122.8 Ų122.888%0.87680%0.799SS**  trans87.5134.5148.500000118.4
189G28.1Very low33.9Very low66 Ų66124.9 Ų124.968%0.6880%0.796SS**  cis175.3161.6-9.300000113.5
190I32.1Very low33.9Very low171 Ų171129.7 Ų129.788%0.87780%0.804SS**  trans35.8121.3153.56.9175.9000118.5
191V33.6Very low33.9Very low115 Ų115134 Ų13470%0.69781%0.813SS**  -166.5151.361.5139.50000111.8
192E32.5Very low33.9Very low187 Ų187133 Ų13387%0.87481%0.811SS**  trans33.9146.4155.9-64.1172.316800124.9
193G32.9Very low33.9Very low67 Ų67134.9 Ų134.969%0.69182%0.82SS**  trans-132.6-153151.700000108.4
194P42.7Very low34.4Very low139 Ų139136.3 Ų136.390%0.90382%0.823SS**  cis-127.3-179.2-4.742.2-27.6000113.2
195G31.8Very low34.5Very low72 Ų72139.5 Ų139.574%0.74282%0.823SS**  trans175.5102.7167.700000115.3
196A32.4Very low34.5Very low109 Ų109134 Ų13490%0.90182%0.815SS**  trans-87.1134.4178.800000112.4
197V35.2Very low33.9Very low139 Ų139137.9 Ų137.984%0.84283%0.829SS**  trans-111.3115.1179.1-163.80000110.3
198K38.5Very low33.2Very low189 Ų189137.1 Ų137.182%0.82283%0.834SS**PPolyproline II helixtrans-93.1133.6169.7-80.4-177.3173.9178.80110.2R200K198-R200 PolarHBondContact O-N 3.16Å
199P32.6Very low33.4Very low131 Ų131138.3 Ų138.385%0.85184%0.835SS**PPolyproline II helixtrans-62131168.1-20.332.6000110.9
200R31.3Very low33.3Very low245 Ų245139 Ų13993%0.92584%0.843SS**PPolyproline II helixtrans-97.6139.5167.1-88.1-175.3166.1-176.6-3.6109.7K198K198-R200 PolarHBondContact O-N 3.16Å
201Q36.1Very low33.2Very low195 Ų195141 Ų14191%0.91184%0.839SS**PPolyproline II helixtrans-67.9143.2172.1-67168-49.100110.4
202S33.1Very low33.9Very low121 Ų121140.1 Ų140.185%0.84684%0.836SS**PPolyproline II helixtrans-80.7134.7175.842.50000111.3
203S29.8Very low33.8Very low121 Ų121140 Ų14085%0.84684%0.835SS**  trans-125.6144.6169.4178.60000108.8
204V40.4Very low33.9Very low134 Ų134144.4 Ų144.481%0.81284%0.838SS**  trans-119.6133.2-173178.30000109.6
205R33.2Very low34Very low239 Ų239142.7 Ų142.790%0.90283%0.827SS**  trans-64.2151.4174-65.4171.4171.1166.9-6.1110.3
206G29.1Very low33.9Very low65 Ų65145.6 Ų145.667%0.6783%0.825SS**  cis105.4117.59.200000112.4
207L34Very low33.7Very low184 Ų184143.7 Ų143.796%0.96382%0.816SS**  trans-144.5155.2167.3-75.3-178.8000109.1
208A29.8Very low33.5Very low106 Ų106143.9 Ų143.988%0.87681%0.812SS**  trans-153.6142.6-17100000114.5
209A31.8Very low33Very low109 Ų109143.4 Ų143.490%0.90181%0.812SS**  trans-171.9141.5156.500000107.5
210G26.9Very low33Very low82 Ų82142.3 Ų142.385%0.84581%0.807SS**  cis-161.3177.5-5.700000111.7
211R29.3Very low33.8Very low212 Ų212135.7 Ų135.780%0.880%0.796SS**  trans-111.3178.9172.9-110.9-170.283.3-167.34.9109
212P48.4Very low33.5Very low96 Ų96133.6 Ų133.662%0.62379%0.791SS**  cis-120-164.2-0.829.9-4.7000110.9
213E29.5Very low33.5Very low186 Ų186134.7 Ų134.787%0.86979%0.787SS**  cis-143-164.334.6-70-166.3100.500115.1
214Q36.4Very low33.7Very low158 Ų158133.9 Ų133.974%0.73878%0.777SS**  trans-120.6-175.1-160.7-127.1-175.4-52.900110.2
215P44.9Very low33.2Very low104 Ų104137 Ų13768%0.67578%0.78SS**  cis-130-152.9-12.342.8-22.9000111.3
216D29.9Very low33.4Very low133 Ų133132.8 Ų132.871%0.71178%0.775SS**  cis-155.9-177.7-6.4-142.5-60.4000110.1
217G28.5Very low33.4Very low69 Ų69135.9 Ų135.971%0.71178%0.781SS**  trans146.8123.8166.200000114.1
218L29.6Very low33.2Very low143 Ų143137.7 Ų137.775%0.74978%0.775SS**  trans-125.3174.1-166.6-78166.4000115.1
219H29.1Very low33.5Very low179 Ų179140.6 Ų140.683%0.82977%0.77SS**  trans79.1149.5171-55.5-81000117.1
220S32.5Very low33.6Very low107 Ų107141.7 Ų141.775%0.74877%0.765SS**  cis-163.3167.3-27.4-127.10000108.7
221P46.9Very low34.1Very low106 Ų106148.9 Ų148.969%0.68877%0.767SS**  trans-100.3-162.9-168.741.5-37.7000115.8
222D29.8Very low34.5Very low152 Ų152144.7 Ų144.781%0.81377%0.77SS**  trans81.1143.4-176.5-54.4-32.3000114.2
223D33.3Very low33.7Very low143 Ų143144.5 Ų144.577%0.76578%0.777SS**  cis-140.8175.238-150.9-23.8000114.6
224V34Very low34.1Very low104 Ų104141.2 Ų141.263%0.6377%0.774SS**  trans-118.7125.4-170.4174.40000113
225F31.6Very low34.2Very low201 Ų201142.1 Ų142.188%0.88278%0.778SS**  trans-139.9143.6162.7-86.3-77.6000114.7
226L35.8Very low33.8Very low150 Ų150146.2 Ų146.279%0.78579%0.788SS**  trans-107.3161.6-177.4-74.3161.3000111.9
227T29.2Very low33.9Very low130 Ų130145.5 Ų145.580%0.79879%0.793SS**  trans76.9138.3165.5-25.40000112.8
228R30Very low34.4Very low222 Ų222152.1 Ų152.184%0.83880%0.803SS**  cis-158.1153.643.3-172.8176.7-77.8-175.1-4.7113.6
229H35.6Very low34.7Very low167 Ų167153.9 Ų153.977%0.77381%0.811SS**  trans-51.8137.6164.8-111-73.6000112.7
230V34.4Very low35.1Very low132 Ų132150.4 Ų150.480%0.881%0.806SS**  trans-107.8120.3161.8-178.40000109.2
231R37.6Very low35.1Very low233 Ų233149.2 Ų149.288%0.87981%0.811SS**  trans-108.3127.4158.9-69.2-178.3177.8-179.9-0.8106.5
232S36.8Very low34.6Very low123 Ų123154.3 Ų154.386%0.8682%0.818SS**  trans-99.5134.1170.6-169.60000109.3
233A33.1Very low34.8Very low93 Ų93153 Ų15377%0.76982%0.821SS**  trans-130150.4-179.300000110.4
234S37.5Very low35.1Very low116 Ų116150.8 Ų150.881%0.81181%0.813SS**  trans-58.8132.9-175.552.60000114.7
235Q38.8Very low34.9Very low178 Ų178149.8 Ų149.883%0.83282%0.824SS**  trans-146133.6135.6-68.5-159.719.900109.9
236H35.2Very low35Very low190 Ų190147.8 Ų147.888%0.8882%0.817SS**  trans172.8111.9134.8-95.4-63.2000109.7
237S33.7Very low34.8Very low117 Ų117146 Ų14682%0.81882%0.817SS**  trans-157.6115.3170.2-75.70000109.2
238K37.9Very low35Very low209 Ų209150.3 Ų150.391%0.90982%0.818SS**  trans166.9117155.6-97.8162-174.9-179.30110.4
239I36.5Very low35.1Very low179 Ų179146.7 Ų146.792%0.91882%0.821SS**  -162.7150.1121-105.9166.2000108.1
240S37.6Very low34.8Very low106 Ų106141.7 Ų141.774%0.74182%0.815SS**  trans-134.1142.9-168.952.90000110.9
241G32.9Very low34.8Very low82 Ų82143.6 Ų143.685%0.84582%0.815SS**  trans-126.8115.2170.100000110.8
242Y35Very low34.7Very low213 Ų213141 Ų14184%0.83581%0.813SS**  trans-91.2146.9170.7-91.1-98.1000110.5
243S33.8Very low34.6Very low125 Ų125141.2 Ų141.287%0.87481%0.814SS**  trans-155.5151.9141.3-162.40000110
244T39.4Very low34.7Very low97 Ų97140.7 Ų140.760%0.59581%0.809SS**  trans-133.3127.4-164.1-48.20000111
245G30.8Very low34.7Very low83 Ų83143 Ų14386%0.85681%0.812SS**  trans-136.477.1-171.500000114.3
246H33.6Very low34.4Very low159 Ų159140.7 Ų140.774%0.73682%0.815SS**  trans-62.3141.8-176.3-47.883000115.4
247S32.4Very low34.5Very low113 Ų113136.2 Ų136.279%0.7981%0.806SS**  trans152.5157.2138.7-77.30000112.4
248R32.8Very low34.6Very low219 Ų219137.9 Ų137.983%0.82681%0.805SS**  cis-178.4133.3-37-126-177175.2-159.7-0.8106.1
249T31.5Very low34.4Very low146 Ų146133.8 Ų133.890%0.89680%0.803SS**  trans58.5156.916752.90000118.2
250G29.4Very low34.3Very low62 Ų62132.4 Ų132.464%0.63979%0.794SS**  cis165.4143.1-13.200000113.6
251H35Very low34.2Very low172 Ų172135.3 Ų135.380%0.79680%0.802SS**  trans69.9132.1164.4-53.2108.4000121.6
252Q35.1Very low34.4Very low180 Ų180139.1 Ų139.184%0.84180%0.797SS**  trans25.2133.7137.1-47.6-174.588.700118.6
253S35Very low34.3Very low127 Ų127134.1 Ų134.189%0.88879%0.794SS**  -173.6-158.258.962.40000114.4
254A35.3Very low34.3Very low81 Ų81132 Ų13267%0.66978%0.783SS**  trans-81.9159.9-154.600000119.1
255L37.1Very low34.2Very low164 Ų164135.2 Ų135.286%0.85980%0.796SS**  trans56.7124.9144.6-66.8167.8000121.9
256S32.1Very low34.3Very low130 Ų130136.1 Ų136.191%0.90979%0.79SS**  trans-165.4169.1130.5-81.80000110.8
257S38.3Very low34.2Very low97 Ų97134.1 Ų134.168%0.67879%0.793SS**  trans-117.6-176.9-165.451.80000114.5
258D34.6Very low34.3Very low152 Ų152136.1 Ų136.181%0.81380%0.795SS**  trans77.1121.6157.7-58.2-63.7000121
259S34.1Very low34.6Very low122 Ų122130.7 Ų130.785%0.85379%0.791SS**  -152.5145.6128.1-169.50000109.8
260M35.4Very low34.8Very low150 Ų150131.7 Ų131.774%0.73979%0.787SS**  trans-80.2167.6-177.4-69.2-166.6-178.200113.1
261N35.5Very low35.1Very low167 Ų167134.4 Ų134.489%0.89379%0.787SS**  trans-145.9126.1137.1-109.8-21.6000112.2
262Q36.6Very low35.1Very low162 Ų162133.8 Ų133.876%0.75779%0.785SS**  trans-139.3150.5165.8-58.2-177.183.100104.3
263S33.5Very low35Very low109 Ų109130.5 Ų130.576%0.76278%0.782SS**  cis-165.4174.625.446.20000111.7
264A34.1Very low34.9Very low79 Ų79128.4 Ų128.465%0.65377%0.772SS**  trans46.9120.4139.900000121.2
265L35.9Very low34.8Very low166 Ų166132.5 Ų132.587%0.86978%0.782SS**  69.1138.280.1-69176.6000114.2
266S32.6Very low34.5Very low102 Ų102129.3 Ų129.371%0.71377%0.773SS**  cis-159.4164.38.6-77.20000111.6
267S32.1Very low34.6Very low116 Ų116129 Ų12981%0.81177%0.771SS**  trans-172119.6138.745.10000117
268D34.5Very low34.2Very low155 Ų155131.7 Ų131.783%0.82978%0.778SS**  trans3.3132.8151.6-52.5-35.6000124.1
269S38.7Very low34.3Very low106 Ų106129 Ų12974%0.74177%0.77SS**  152.2152.492.258.60000116.3
270M36.1Very low34.3Very low166 Ų166131.3 Ų131.382%0.81877%0.77SS**  trans62.1134.6167.4-58.7-60.4157.600117.8
271N35.8Very low34.2Very low119 Ų119130.1 Ų130.164%0.63677%0.766SS**  cis-155.9149.431.6-134-4.1000113.1
272Q34.9Very low34Very low160 Ų160130.3 Ų130.375%0.74876%0.762SS**  trans10.4146.8141-60.3175.785.100119
273S33Very low33.8Very low111 Ų111128.8 Ų128.878%0.77677%0.77SS**  cis164.4168.37.453.10000105
274A32.5Very low33.7Very low82 Ų82128 Ų12868%0.67877%0.769SS**  cis-163.3177.3-18.300000109.1
275L33.9Very low33.6Very low168 Ų168132.2 Ų132.288%0.8878%0.78SS**  trans73.9150.4171.3-41.2177.6000115.4
276S31.1Very low33.3Very low97 Ų97129.2 Ų129.268%0.67877%0.773SS**  cis-1471568.5-68.10000113.8
277S33.3Very low33.1Very low124 Ų124130.4 Ų130.487%0.86778%0.781SS**  trans63.9146.6143.255.90000123
278D31Very low33.1Very low153 Ų153132.2 Ų132.282%0.81878%0.777SS**  trans-121.2173.8-179.1-177.115.2000110.1
279S36Very low33.4Very low94 Ų94130.7 Ų130.766%0.65778%0.775SS**  trans121.3106.6155.1-51.30000119.7
280M33.9Very low33.7Very low172 Ų172130.3 Ų130.385%0.84777%0.771SS**  77.4154.6121.2-72.8-162.2154.600125.5
281N33.5Very low33.9Very low124 Ų124128.1 Ų128.166%0.66377%0.768SS**  trans74.2122.2167.4-67.2-21.2000118.2
282Q31.6Very low33.9Very low171 Ų171128.6 Ų128.680%0.79978%0.781SS**  cis90.610738.8-75-165.798.600114.5
283S31.1Very low33.7Very low131 Ų131125.9 Ų125.992%0.91679%0.786SS**  165.6168.3129.948.10000109.8
284A31.5Very low33.8Very low91 Ų91125.1 Ų125.175%0.75279%0.786SS**  trans-146149.1-17500000112.1
285L32.2Very low33.7Very low169 Ų169125.5 Ų125.589%0.88579%0.79SS**  trans-163.8138.8140.3-132.171.6000114.2
286S30.3Very low33.7Very low103 Ų103124.8 Ų124.872%0.7279%0.786SS**  trans-8.1137.8161.8-45.80000122.5
287S28.9Very low34Very low126 Ų126127.5 Ų127.588%0.88179%0.792SS**  171.8166.8103.345.80000114
288E30.8Very low34Very low154 Ų154127.4 Ų127.472%0.7279%0.792SS**  trans-97.7164.7-168.4-145.9-171.9125.400113.2
289P42Very low34.2Very low123 Ų123129.3 Ų129.380%0.79980%0.795SS**  -148.2168.69737.4-20000116.6
290P44.4Very low34.2Very low99 Ų99136.5 Ų136.564%0.64381%0.808SS**  trans-108.8173.4-168.840.9-36.7000116.2
291P40.3Very low34.4Very low119 Ų119133.7 Ų133.777%0.77381%0.805SS**  trans-109.2140.316537-28.1000113.8
292S35.1Very low34.8Very low129 Ų129133.7 Ų133.790%0.90282%0.815SS**  trans-165.1170166.5-91.10000113.6
293A31.5Very low35.2Very low104 Ų104131.3 Ų131.386%0.8682%0.817SS**  trans8266.9166.200000120.1
294A34.6Very low35.7Very low94 Ų94136.1 Ų136.178%0.77782%0.815SS**  trans-154.8120.913600000107.6
295A30.9Very low36.4Very low90 Ų90143.6 Ų143.674%0.74482%0.824SS**  cis66.7123.738.700000113.3
296L34.2Very low36.6Very low153 Ų153143.5 Ų143.580%0.80182%0.816SS**  cis-158.3160.1-1.8-111.8171000110.2
297L37.9Very low37.5Very low154 Ų154148.3 Ų148.381%0.80682%0.824SS**  trans56.3107158.9-60.5170.3000120.1
298S32.4Very low37.7Very low123 Ų123147.4 Ų147.486%0.8681%0.809SS**  trans-139.435.1159.857.40000114.2R300S298-R300 PolarHBondContact O-N 3.33Å
299H35.3Very low38.3Very low193 Ų193145 Ų14589%0.89482%0.816SS**  trans-77.794168.9-97.8-73.1000111.9
300R36.5Very low38.8Very low245 Ų245145.5 Ų145.593%0.92582%0.816SS**  trans-150.5136.1139.8-126.8178.1-175.3-156.2-0.6112.5S298S298-R300 PolarHBondContact O-N 3.33Å
301S37.8Very low39.2Very low112 Ų112149.4 Ų149.478%0.78383%0.826SS**  trans-80.1155.5-169.934.80000113.4
302S41.8Very low39.7Very low124 Ų124154.4 Ų154.487%0.86783%0.83SS**  trans-60.4136168.852.80000111.5
303S39Very low40.3Very low122 Ų122157.4 Ų157.485%0.85383%0.83SS**  trans-130.1146.4170.5-170.20000111.2
304R41.6Very low41.3Very low231 Ų231162.3 Ų162.387%0.87283%0.826SS**  trans-94.3150.8178.4-76.8176.9166.3177.2-4.4110.5
305R46.4Very low42.4Very low249 Ų249160.6 Ų160.694%0.9481%0.808SS**  trans57.8109.7167.3-68.1176.8166.7173.4-5.4116.2
306K37Very low43.6Very low167 Ų167162 Ų16273%0.72681%0.811SS**  -151.1154.8108.3-154.5159.3166.3-99.70110.8D308K306-D308 VanDerWaalsContact CD-OD2 3.27Å; K306-D308 WeakPolarHBondContact CD-OD2 3.2Å; K306-D308 VanDerWaalsContact CG-OD2 3.26Å; K306-D308 WeakPolarHBondContact CG-OD2 3.3Å; K306-D308 IonicContact NZ-OD1 2.67Å; K306-D308 PolarHBondContact NZ-OD1 3.05Å; K306-D308 IonicContact NZ-OD2 3.97Å; K306-D308 PolarHBondContact NZ-OD2 3.43Å
307K48.6Very low44.8Very low203 Ų203158.7 Ų158.788%0.88380%0.797SS**  trans-99.1110.8165.4171.9-168.4175.7-174.70105.6
308D34Very low45.5Very low107 Ų107154.5 Ų154.557%0.57278%0.775SS**  trans-128.5142.7169.1-74.6-64.7000107.9K306K306-D308 VanDerWaalsContact CD-OD2 3.27Å; K306-D308 WeakPolarHBondContact CD-OD2 3.2Å; K306-D308 VanDerWaalsContact CG-OD2 3.26Å; K306-D308 WeakPolarHBondContact CG-OD2 3.3Å; K306-D308 IonicContact NZ-OD1 2.67Å; K306-D308 PolarHBondContact NZ-OD1 3.05Å; K306-D308 IonicContact NZ-OD2 3.97Å; K306-D308 PolarHBondContact NZ-OD2 3.43Å
309A43.3Very low46.8Very low104 Ų104153.9 Ų153.986%0.8676%0.762SS**  trans-76.7124.6-176.900000109.5E311A309-E311 PolarHBondContact O-N 3.19Å
310V53.2Low48.3Very low133 Ų133150.6 Ų150.681%0.80676%0.756SS**  trans-76.996.1171.6179.50000107.8R312V310-R312 PolarHBondContact O-N 2.58Å
311E51.6Low50.2Low181 Ų181147 Ų14785%0.84674%0.742SS**  trans-56.7105.3162.7-175169.9-15400108A309 Q313A309-E311 PolarHBondContact O-N 3.19Å; E311-Q313 PolarHBondContact O-N 3.45Å; E311-Q313 VanDerWaalsContact O-N 3.1Å
312R52Low52.2Low224 Ų224148.2 Ų148.285%0.84574%0.739SS**  trans-65.9112.9178.7-78.2-173.5176.7177.41.7108.4V310 R314V310-R312 PolarHBondContact O-N 2.58Å; R312-R314 PolarHBondContact O-N 2.74Å
313Q46.1Very low54Low193 Ų193146.5 Ų146.590%0.90272%0.72SS**  trans-54.9114.7162.8-64.3-175.8-74.100107.9E311 S315E311-Q313 PolarHBondContact O-N 3.45Å; E311-Q313 VanDerWaalsContact O-N 3.1Å; Q313-S315 PolarHBondContact O-N 3.1Å
314R53Low56.1Low207 Ų207143.7 Ų143.778%0.78170%0.704SS**  trans-64.3126.7-179.6-68.5-174.4175.5-138-1.7109.2R312 D319R312-R314 PolarHBondContact O-N 2.74Å; R314-D319 IonicContact NH1-OD1 3.14Å
315S57.7Low58.1Low58 Ų58138.6 Ų138.641%0.40669%0.694SS.*  trans-80.8144.9172.8-164.80000109.6Q313 V317 D318Q313-S315 PolarHBondContact O-N 3.1Å; S315-V317 PolarHBondContact O-N 3.32Å; S315-D318 WeakPolarHBondContact CB-OD2 3.33Å; S315-D318 PolarHBondContact N-OD2 3.17Å; S315-D318 PolarHBondContact O-N 3.47Å
316C56.7Low60Low119 Ų119131.9 Ų131.980%0.80468%0.677SS**THydrogen-bonded Turntrans-62.8-7.1178.1-171.30000113.5
317V59.4Low62.3Low84 Ų84127.6 Ų127.651%0.50966%0.661SS.*THydrogen-bonded Turntrans-102.71.8172.8-61.50000114.3S315S315-V317 PolarHBondContact O-N 3.32Å
318D52.3Low64.1Low65 Ų65121.9 Ų121.935%0.34864%0.643SS.*THydrogen-bonded Turntrans-93.6-24.9175.8-65.4-41.4000112.5S315 T320 R321S315-D318 WeakPolarHBondContact CB-OD2 3.33Å; S315-D318 PolarHBondContact N-OD2 3.17Å; S315-D318 PolarHBondContact O-N 3.47Å; D318-T320 PolarHBondContact O-N 3.18Å; D318-R321 WeakPolarHBondContact O-CB 3.35Å; D318-R321 PolarHBondContact O-N 2.81Å; D318-R321 WeakPolarHBondContact OD1-CD 3.25Å; D318-R321 IonicContact OD1-CZ 3.76Å; D318-R321 IonicContact OD1-NE 2.7Å; D318-R321 IonicContact OD1-NH1 2.72Å; D318-R321 PolarHBondContact OD1-NH1 3.27Å
319D59.2Low66.6Low110 Ų110122.2 Ų122.259%0.58864%0.641SS**THydrogen-bonded Turntrans-67.2-4.5179-64.5-46.2000114.2R314R314-D319 IonicContact NH1-OD1 3.14Å
320T66.6Low68.6Low125 Ų125124.8 Ų124.877%0.76763%0.633SS**THydrogen-bonded Turntrans-1144.7171.358.30000113.6D318D318-T320 PolarHBondContact O-N 3.18Å
321R76.3Confident70.3Confident168 Ų168122.8 Ų122.863%0.63462%0.617SS**PPolyproline II helixtrans-94.8122.2176.8-69.7177.5172.2163.2-6.9109.7D318D318-R321 WeakPolarHBondContact O-CB 3.35Å; D318-R321 PolarHBondContact O-N 2.81Å; D318-R321 WeakPolarHBondContact OD1-CD 3.25Å; D318-R321 IonicContact OD1-CZ 3.76Å; D318-R321 IonicContact OD1-NE 2.7Å; D318-R321 IonicContact OD1-NH1 2.72Å; D318-R321 PolarHBondContact OD1-NH1 3.27Å
322I79.8Confident71.9Confident139 Ų139117.8 Ų117.871%0.71360%0.599SS**PPolyproline II helixtrans-78.5125174.5-43.6171.3000107.6I327I322-I327 HydrophobicContact CB-CD1 4.25Å; I322-I327 HydrophobicContact CG2-CD1 3.61Å; I322-I327 HydrophobicContact CG2-CG1 3.64Å
323D80.6Confident73.3Confident88 Ų88113.8 Ų113.847%0.47159%0.589SS.*PPolyproline II helixtrans-70.5141.6174.5-153.4-46.1000110.3D325 D326 I327D323-D325 VanDerWaalsContact C-N 3.33Å; D323-D325 PolarHBondContact OD1-N 2.83Å; D323-D326 HydrophobicContact CB-CB 4.03Å; D323-I327 WeakPolarHBondContact O-CD1 3.48Å; D323-I327 VanDerWaalsContact O-CG1 3.31Å; D323-I327 WeakPolarHBondContact O-CG1 3.42Å; D323-I327 PolarHBondContact O-N 3.06Å
324A83.2Confident75Confident63 Ų63108.6 Ų108.652%0.52158%0.575SS.*Hα-helixtrans-70.5-34.4175.900000111.1I327 V328A324-I327 PolarHBondContact O-N 2.88Å; A324-V328 WeakPolarHBondContact O-CG2 3.24Å; A324-V328 PolarHBondContact O-N 3.36Å
325D84.3Confident76.3Confident124 Ų124104 Ų10466%0.66356%0.562SS**Hα-helixtrans-71.3-38.9179.7-69.2-20.6000110.6D323 I327 V328 E329D323-D325 VanDerWaalsContact C-N 3.33Å; D323-D325 PolarHBondContact OD1-N 2.83Å; D325-I327 VanDerWaalsContact C-N 3.34Å; D325-I327 PolarHBondContact O-N 2.64Å; D325-V328 PolarHBondContact O-N 2.68Å; D325-E329 WeakPolarHBondContact O-CB 3.35Å; D325-E329 PolarHBondContact O-N 2.83Å
326D84.9Confident77.1Confident108 Ų108106.8 Ų106.858%0.57857%0.572SS**Hα-helixtrans-59.4-41.4170.9-76.9-2.6000112.1D323 K330D323-D326 HydrophobicContact CB-CB 4.03Å; D326-K330 WeakPolarHBondContact O-CB 3.29Å; D326-K330 PolarHBondContact O-N 3.45Å
327I84.8Confident77.8Confident76 Ų76108.7 Ų108.739%0.3957%0.567SS.*Hα-helixtrans-63.9-46.4175.9-68.2163.7000110.1I322 D323 A324 D325 K330 I331I322-I327 HydrophobicContact CB-CD1 4.25Å; I322-I327 HydrophobicContact CG2-CD1 3.61Å; I322-I327 HydrophobicContact CG2-CG1 3.64Å; D323-I327 WeakPolarHBondContact O-CD1 3.48Å; D323-I327 VanDerWaalsContact O-CG1 3.31Å; D323-I327 WeakPolarHBondContact O-CG1 3.42Å; D323-I327 PolarHBondContact O-N 3.06Å; A324-I327 PolarHBondContact O-N 2.88Å; D325-I327 VanDerWaalsContact C-N 3.34Å; D325-I327 PolarHBondContact O-N 2.64Å; I327-K330 PolarHBondContact O-N 2.92Å; I327-I331 HydrophobicContact CG2-CD1 3.72Å; I327-I331 HydrophobicContact CG2-CG1 4.44Å; I327-I331 WeakPolarHBondContact O-CB 3.34Å; I327-I331 VanDerWaalsContact O-CG1 3.25Å; I327-I331 WeakPolarHBondContact O-CG1 3.42Å; I327-I331 PolarHBondContact O-N 2.86Å
328V86.4Confident77.7Confident84 Ų84109.5 Ų109.551%0.50958%0.577SS.*Hα-helixtrans-64.7-46.7-1791690000111A324 D325 K330 I331 V332A324-V328 WeakPolarHBondContact O-CG2 3.24Å; A324-V328 PolarHBondContact O-N 3.36Å; D325-V328 PolarHBondContact O-N 2.68Å; V328-K330 PolarHBondContact O-N 3.24Å; V328-I331 PolarHBondContact O-N 2.87Å; V328-V332 WeakPolarHBondContact O-CG2 3.35Å; V328-V332 PolarHBondContact O-N 2.81Å
329E87.3Confident77.7Confident114 Ų114109.6 Ų109.653%0.53359%0.587SS.*Hα-helixtrans-60.7-45.8176176.7162.1-148.700111D325 I331 V332 Q333D325-E329 WeakPolarHBondContact O-CB 3.35Å; D325-E329 PolarHBondContact O-N 2.83Å; E329-I331 VanDerWaalsContact C-N 3.31Å; E329-I331 PolarHBondContact O-N 3.33Å; E329-V332 PolarHBondContact O-N 2.84Å; E329-V332 VanDerWaalsContact O-N 3.17Å; E329-Q333 VanDerWaalsContact CD-NE2 3.27Å; E329-Q333 HydrophobicContact CG-CG 4.04Å; E329-Q333 VanDerWaalsContact CG-NE2 3.29Å; E329-Q333 WeakPolarHBondContact O-CB 3.47Å; E329-Q333 WeakPolarHBondContact O-CG 3.27Å; E329-Q333 PolarHBondContact O-N 2.81Å; E329-Q333 PolarHBondContact OE1-NE2 3.33Å
330K85.8Confident77.4Confident157 Ų157108.2 Ų108.268%0.68360%0.598SS**Hα-helixtrans-62.2-36.8177.9-171.3172.8-174.9174.20112.7D326 I327 V328 S334D326-K330 WeakPolarHBondContact O-CB 3.29Å; D326-K330 PolarHBondContact O-N 3.45Å; I327-K330 PolarHBondContact O-N 2.92Å; V328-K330 PolarHBondContact O-N 3.24Å; K330-S334 VanDerWaalsContact O-CB 3.24Å; K330-S334 WeakPolarHBondContact O-CB 3.08Å; K330-S334 PolarHBondContact O-N 2.9Å; K330-S334 PolarHBondContact O-OG 2.84Å
331I87.6Confident76.6Confident92 Ų92106.2 Ų106.247%0.47259%0.589SS.*Hα-helixtrans-64.1-50.8172.6-72166.5000110I327 V328 E329 Q333 S334 Q335I327-I331 HydrophobicContact CG2-CD1 3.72Å; I327-I331 HydrophobicContact CG2-CG1 4.44Å; I327-I331 WeakPolarHBondContact O-CB 3.34Å; I327-I331 VanDerWaalsContact O-CG1 3.25Å; I327-I331 WeakPolarHBondContact O-CG1 3.42Å; I327-I331 PolarHBondContact O-N 2.86Å; V328-I331 PolarHBondContact O-N 2.87Å; E329-I331 VanDerWaalsContact C-N 3.31Å; E329-I331 PolarHBondContact O-N 3.33Å; I331-Q333 PolarHBondContact O-N 2.91Å; I331-S334 PolarHBondContact O-N 3.12Å; I331-S334 VanDerWaalsContact O-N 3.13Å; I331-S334 PolarHBondContact O-OG 3.02Å; I331-Q335 WeakPolarHBondContact O-CG 3.19Å; I331-Q335 PolarHBondContact O-N 3.06Å
332V85.9Confident75.4Confident76 Ų76102.8 Ų102.846%0.46159%0.591SS.*Hα-helixtrans-60.1-44.5-180170.40000111.7V328 E329 S334 Q335 F337V328-V332 WeakPolarHBondContact O-CG2 3.35Å; V328-V332 PolarHBondContact O-N 2.81Å; E329-V332 PolarHBondContact O-N 2.84Å; E329-V332 VanDerWaalsContact O-N 3.17Å; V332-S334 VanDerWaalsContact C-N 3.3Å; V332-S334 PolarHBondContact O-N 2.94Å; V332-Q335 PolarHBondContact O-N 2.87Å; V332-F337 HydrophobicContact CG1-CE2 4.13Å; V332-F337 WeakPolarHBondContact O-CE2 3.44Å
333Q82.2Confident74.1Confident139 Ų139102 Ų10265%0.6559%0.588SS**Hα-helixtrans-67-29.2176.4-68.8-177.28.600112.8E329 I331 Q335E329-Q333 VanDerWaalsContact CD-NE2 3.27Å; E329-Q333 HydrophobicContact CG-CG 4.04Å; E329-Q333 VanDerWaalsContact CG-NE2 3.29Å; E329-Q333 WeakPolarHBondContact O-CB 3.47Å; E329-Q333 WeakPolarHBondContact O-CG 3.27Å; E329-Q333 PolarHBondContact O-N 2.81Å; E329-Q333 PolarHBondContact OE1-NE2 3.33Å; I331-Q333 PolarHBondContact O-N 2.91Å; Q333-Q335 VanDerWaalsContact C-N 3.35Å
334S80.9Confident72.7Confident84 Ų84106.4 Ų106.459%0.58761%0.606SS**Hα-helixtrans-79.5-12.8177.273.30000114.6K330 I331 V332K330-S334 VanDerWaalsContact O-CB 3.24Å; K330-S334 WeakPolarHBondContact O-CB 3.08Å; K330-S334 PolarHBondContact O-N 2.9Å; K330-S334 PolarHBondContact O-OG 2.84Å; I331-S334 PolarHBondContact O-N 3.12Å; I331-S334 VanDerWaalsContact O-N 3.13Å; I331-S334 PolarHBondContact O-OG 3.02Å; V332-S334 VanDerWaalsContact C-N 3.3Å; V332-S334 PolarHBondContact O-N 2.94Å
335Q80.9Confident71.1Confident112 Ų112109.4 Ų109.452%0.52361%0.613SS.*SBendtrans-98.4119.7179.4-70.3-62.9-23.600110.6I331 V332 Q333 F337I331-Q335 WeakPolarHBondContact O-CG 3.19Å; I331-Q335 PolarHBondContact O-N 3.06Å; V332-Q335 PolarHBondContact O-N 2.87Å; Q333-Q335 VanDerWaalsContact C-N 3.35Å; Q335-F337 HydrophobicContact CB-CD2 4.27Å; Q335-F337 HydrophobicContact CB-CE1 4.25Å; Q335-F337 HydrophobicContact CB-CE2 3.62Å; Q335-F337 HydrophobicContact CB-CZ 3.6Å; Q335-F337 HydrophobicContact CG-CZ 4.41Å; Q335-F337 WeakPolarHBondContact O-CD2 3.23Å; Q335-F337 PolarHBondContact O-N 2.73Å
336N74.6Confident69.8Low115 Ų115108.6 Ų108.662%0.61562%0.617SS**  trans-83.983-178.8-174.57.7000112S338 A339N336-S338 PolarHBondContact O-N 2.78Å; N336-S338 VanDerWaalsContact O-N 3.08Å; N336-S338 WeakPolarHBondContact OD1-CB 3.45Å; N336-S338 PolarHBondContact OD1-N 2.95Å; N336-S338 VanDerWaalsContact OD1-N 3.1Å; N336-S338 PolarHBondContact OD1-OG 3.08Å; N336-A339 PolarHBondContact O-N 2.85Å
337F70.8Confident68.8Low159 Ų159109.1 Ų109.170%0.69762%0.616SS**THydrogen-bonded Turntrans-66.7-1.5175.9-57.6-75.9000115V332 Q335 A339V332-F337 HydrophobicContact CG1-CE2 4.13Å; V332-F337 WeakPolarHBondContact O-CE2 3.44Å; Q335-F337 HydrophobicContact CB-CD2 4.27Å; Q335-F337 HydrophobicContact CB-CE1 4.25Å; Q335-F337 HydrophobicContact CB-CE2 3.62Å; Q335-F337 HydrophobicContact CB-CZ 3.6Å; Q335-F337 HydrophobicContact CG-CZ 4.41Å; Q335-F337 WeakPolarHBondContact O-CD2 3.23Å; Q335-F337 PolarHBondContact O-N 2.73Å; F337-A339 VanDerWaalsContact C-N 3.32Å
338S57.1Low67.9Low101 Ų101110.9 Ų110.971%0.70663%0.625SS**THydrogen-bonded Turntrans-83.5-5.5173.874.10000113.9N336 G340N336-S338 PolarHBondContact O-N 2.78Å; N336-S338 VanDerWaalsContact O-N 3.08Å; N336-S338 WeakPolarHBondContact OD1-CB 3.45Å; N336-S338 PolarHBondContact OD1-N 2.95Å; N336-S338 VanDerWaalsContact OD1-N 3.1Å; N336-S338 PolarHBondContact OD1-OG 3.08Å; S338-G340 PolarHBondContact O-N 3.32Å
339A52.6Low67.2Low68 Ų68114 Ų11456%0.56263%0.628SS**  trans-71.192.1168.500000110.5N336 F337 S341N336-A339 PolarHBondContact O-N 2.85Å; F337-A339 VanDerWaalsContact C-N 3.32Å; A339-S341 PolarHBondContact O-N 3.1Å
340G52Low66.7Low80 Ų80111.9 Ų111.983%0.82562%0.62SS**  trans-68.858.1168.400000112.8S338 S342S338-G340 PolarHBondContact O-N 3.32Å; G340-S342 PolarHBondContact O-N 2.93Å
341S49.9Very low66.3Low83 Ų83106.1 Ų106.158%0.5860%0.595SS**  trans-72.794.9175.1173.80000109A339 D343A339-S341 PolarHBondContact O-N 3.1Å; S341-D343 PolarHBondContact O-N 2.93Å; S341-D343 VanDerWaalsContact OG-CG 3.24Å; S341-D343 PolarHBondContact OG-OD1 2.92Å
342S50.9Low66Low96 Ų96104.2 Ų104.267%0.67159%0.588SS**  trans-78.848.5171.9-1750000111.2G340 E344G340-S342 PolarHBondContact O-N 2.93Å; S342-E344 PolarHBondContact O-N 3.49Å; S342-E344 VanDerWaalsContact O-N 3.16Å
343D52.9Low65.6Low122 Ų122101 Ų10165%0.65257%0.569SS**THydrogen-bonded Turntrans-81.119.7178.7-75.727.6000112.2S341 D345S341-D343 PolarHBondContact O-N 2.93Å; S341-D343 VanDerWaalsContact OG-CG 3.24Å; S341-D343 PolarHBondContact OG-OD1 2.92Å; D343-D345 PolarHBondContact O-N 2.92Å
344E50.8Low65.3Low182 Ų182102.2 Ų102.285%0.8557%0.572SS**THydrogen-bonded Turntrans-72.1-4165.6-73.6-73.5121.200112.3S342 S346S342-E344 PolarHBondContact O-N 3.49Å; S342-E344 VanDerWaalsContact O-N 3.16Å; E344-S346 VanDerWaalsContact C-N 3.29Å; E344-S346 PolarHBondContact O-N 3.48Å
345D51Low65Low126 Ų126103.7 Ų103.767%0.67457%0.573SS**SBendtrans-66.888.2165.4-103.8-15.6000110D343 H347D343-D345 PolarHBondContact O-N 2.92Å; D345-H347 PolarHBondContact O-CD2 2.65Å; D345-H347 PolarHBondContact O-N 3.37Å
346S56.5Low64.7Low106 Ų106100.8 Ų100.874%0.74157%0.574SS**  trans-56.696.5170.1-74.40000109.9E344 L348E344-S346 VanDerWaalsContact C-N 3.29Å; E344-S346 PolarHBondContact O-N 3.48Å; S346-L348 PolarHBondContact O-N 3.2Å
347H63.3Low64.8Low120 Ų12098.8 Ų98.856%0.55657%0.566SS**  trans-550.7-169.3-82.5-74.5000117.6D345 R349 G362 T363D345-H347 PolarHBondContact O-CD2 2.65Å; D345-H347 PolarHBondContact O-N 3.37Å; H347-R349 PolarHBondContact O-N 2.87Å; H347-G362 CarbonylContact O-C 3.55Å; H347-G362 WeakPolarHBondContact O-CA 3.16Å; H347-T363 WeakPolarHBondContact CB-OG1 3.44Å; H347-T363 PolarHBondContact ND1-OG1 2.95Å; H347-T363 PolarHBondContact O-N 2.98Å; H347-T363 VanDerWaalsContact O-N 3.13Å; H347-T363 PolarHBondContact O-OG1 3.25Å
348L67Low65.3Low112 Ų11295.4 Ų95.459%0.58656%0.558SS**EExtended strand (participates in β ladder)trans-77.9111.8178.9-60.9176.1000111.2S346 S361S346-L348 PolarHBondContact O-N 3.2Å; L348-S361 CarbonylContact C-O 3.55Å; L348-S361 WeakPolarHBondContact CA-O 3.23Å
349R70.4Confident66.2Low150 Ų15092.6 Ų92.657%0.56654%0.541SS*.EExtended strand (participates in β ladder)trans-97.8143.4169.5-67.2-174.2178.3-175.5-1.3110.7H347 F351 L360 S361H347-R349 PolarHBondContact O-N 2.87Å; R349-F351 HydrophobicContact CB-CD2 4.49Å; R349-F351 HydrophobicContact CB-CE2 3.82Å; R349-F351 HydrophobicContact CB-CZ 4.17Å; R349-F351 VanDerWaalsContact O-CD2 3.3Å; R349-F351 WeakPolarHBondContact O-CD2 3.46Å; R349-F351 WeakPolarHBondContact O-CE2 3.15Å; R349-L360 WeakPolarHBondContact O-CA 3.3Å; R349-S361 PolarHBondContact N-O 3.46Å; R349-S361 PolarHBondContact O-N 2.88Å; R349-S361 VanDerWaalsContact O-N 3.08Å
350L77.7Confident67.3Low69 Ų6995.1 Ų95.136%0.36155%0.545SS..EExtended strand (participates in β ladder)trans-82.3130.9170.1-175.367000109L360 V377L350-L360 HydrophobicContact CB-CD2 4.01Å; L350-L360 HydrophobicContact CD1-CD2 4.03Å; L350-L360 HydrophobicContact CD1-CG 3.92Å; L350-V377 HydrophobicContact CB-CB 4.45Å; L350-V377 HydrophobicContact CB-CG2 4.3Å; L350-V377 HydrophobicContact CD2-CG2 4.04Å; L350-V377 HydrophobicContact CG-CG2 4.04Å; L350-V377 PolarHBondContact O-N 2.86Å
351F78.3Confident68Low36 Ų3693.2 Ų93.216%0.15852%0.519CS..EExtended strand (participates in β ladder)trans-118.6145.7174.5-63.4-95.9000109.6R349 T358 A359 I365 F374 E375 P376R349-F351 HydrophobicContact CB-CD2 4.49Å; R349-F351 HydrophobicContact CB-CE2 3.82Å; R349-F351 HydrophobicContact CB-CZ 4.17Å; R349-F351 VanDerWaalsContact O-CD2 3.3Å; R349-F351 WeakPolarHBondContact O-CD2 3.46Å; R349-F351 WeakPolarHBondContact O-CE2 3.15Å; F351-T358 CarbonylContact O-C 3.54Å; F351-T358 WeakPolarHBondContact O-CA 3.49Å; F351-A359 PolarHBondContact N-O 3.07Å; F351-A359 PolarHBondContact O-N 3.02Å; F351-I365 HydrophobicContact CE2-CD1 4.11Å; F351-I365 HydrophobicContact CZ-CD1 4.18Å; F351-F374 HydrophobicContact CB-CB 4.2Å; F351-F374 HydrophobicContact CB-CD1 4.15Å; F351-E375 CarbonylContact C-O 3.57Å; F351-E375 VanDerWaalsContact CA-O 3.31Å; F351-E375 WeakPolarHBondContact CA-O 3.39Å; F351-P376 HydrophobicContact CD1-CB 4Å; F351-P376 HydrophobicContact CE1-CB 3.84Å
352V79.6Confident68.7Low53 Ų5390.7 Ų90.732%0.32151%0.505SS..EExtended strand (participates in β ladder)trans-126136.1178.2-177.40000109T357 T358 F374 E375 V377V352-T357 WeakPolarHBondContact CA-O 3.23Å; V352-T358 HydrophobicContact CG1-CG2 4.44Å; V352-T358 HydrophobicContact CG2-CG2 3.99Å; V352-F374 WeakPolarHBondContact O-CA 3.35Å; V352-E375 PolarHBondContact N-O 3.3Å; V352-E375 PolarHBondContact O-N 2.94Å; V352-V377 HydrophobicContact CG2-CG2 3.51Å
353S77.9Confident69.2Low9 Ų989.2 Ų89.26%0.06349%0.493CS..EExtended strand (participates in β ladder)trans-99.4164.8173.545.10000112.4D355 G356 T357 V373 F374S353-D355 VanDerWaalsContact CB-OD1 3.23Å; S353-D355 WeakPolarHBondContact CB-OD1 3.47Å; S353-D355 PolarHBondContact O-N 3.1Å; S353-D355 PolarHBondContact OG-OD1 2.83Å; S353-G356 PolarHBondContact O-N 2.65Å; S353-T357 PolarHBondContact N-O 2.54Å; S353-T357 WeakPolarHBondContact OG-CB 3.49Å; S353-T357 PolarHBondContact OG-O 3.49Å; S353-T357 VanDerWaalsContact OG-O 3.1Å; S353-V373 WeakPolarHBondContact CA-O 3.17Å; S353-V373 WeakPolarHBondContact CB-O 3.31Å; S353-F374 VanDerWaalsContact CB-CE1 3.42Å; S353-F374 WeakPolarHBondContact OG-CE1 3.41Å; S353-F374 WeakPolarHBondContact OG-CZ 3.42Å
354K75.4Confident69.2Low163 Ų16392.1 Ų92.171%0.70950%0.502SS*.THydrogen-bonded Turntrans-68.1-7.3-171.4-61.3-179.7-179.9171.90114.8G372 E375K354-G372 PolarHBondContact NZ-O 2.94Å; K354-E375 WeakPolarHBondContact CE-OE1 3.31Å; K354-E375 IonicContact NZ-OE1 2.71Å
355D76.4Confident69.3Low115 Ų11588.3 Ų88.362%0.61549%0.487SS*.THydrogen-bonded Turntrans-92.5-5.617166.8-25.4000113.4S353 T357S353-D355 VanDerWaalsContact CB-OD1 3.23Å; S353-D355 WeakPolarHBondContact CB-OD1 3.47Å; S353-D355 PolarHBondContact O-N 3.1Å; S353-D355 PolarHBondContact OG-OD1 2.83Å; D355-T357 VanDerWaalsContact CG-OG1 3.31Å; D355-T357 WeakPolarHBondContact OD1-CB 3.46Å; D355-T357 PolarHBondContact OD1-N 2.76Å; D355-T357 PolarHBondContact OD1-OG1 2.57Å; D355-T357 WeakPolarHBondContact OD2-CB 3.32Å; D355-T357 PolarHBondContact OD2-OG1 2.7Å
356G74.4Confident68.9Low52 Ų5286 Ų8654%0.53649%0.485SS..SBendtrans88.20.4-174.900000115S353S353-G356 PolarHBondContact O-N 2.65Å
357T76Confident68.5Low73 Ų7387 Ų8745%0.44849%0.487SS..  trans-69.5144.3175-60.40000110.3V352 S353 D355V352-T357 WeakPolarHBondContact CA-O 3.23Å; S353-T357 PolarHBondContact N-O 2.54Å; S353-T357 WeakPolarHBondContact OG-CB 3.49Å; S353-T357 PolarHBondContact OG-O 3.49Å; S353-T357 VanDerWaalsContact OG-O 3.1Å; D355-T357 VanDerWaalsContact CG-OG1 3.31Å; D355-T357 WeakPolarHBondContact OD1-CB 3.46Å; D355-T357 PolarHBondContact OD1-N 2.76Å; D355-T357 PolarHBondContact OD1-OG1 2.57Å; D355-T357 WeakPolarHBondContact OD2-CB 3.32Å; D355-T357 PolarHBondContact OD2-OG1 2.7Å
358T81.9Confident67.7Low87 Ų8793.3 Ų93.353%0.53451%0.506SS..EExtended strand (participates in β ladder)trans-124.7147.2-175.772.50000112.3F351 V352F351-T358 CarbonylContact O-C 3.54Å; F351-T358 WeakPolarHBondContact O-CA 3.49Å; V352-T358 HydrophobicContact CG1-CG2 4.44Å; V352-T358 HydrophobicContact CG2-CG2 3.99Å
359A75Confident66.4Low43 Ų4390.5 Ų90.536%0.35550%0.504SS..EExtended strand (participates in β ladder)trans-143.9143.7-177.600000111.6F351 F374F351-A359 PolarHBondContact N-O 3.07Å; F351-A359 PolarHBondContact O-N 3.02Å; A359-F374 HydrophobicContact CB-CE1 4.25Å
360L75.5Confident65.1Low121 Ų12187.9 Ų87.963%0.63451%0.508SS*.EExtended strand (participates in β ladder)trans-109.1129.6175.4-79.2159000109.6R349 L350R349-L360 WeakPolarHBondContact O-CA 3.3Å; L350-L360 HydrophobicContact CB-CD2 4.01Å; L350-L360 HydrophobicContact CD1-CD2 4.03Å; L350-L360 HydrophobicContact CD1-CG 3.92Å
361S66.4Low63.5Low40 Ų4089.9 Ų89.928%0.2853%0.526SS..EExtended strand (participates in β ladder)trans-150.5150.8-178.5-169.20000113.1L348 R349L348-S361 CarbonylContact C-O 3.55Å; L348-S361 WeakPolarHBondContact CA-O 3.23Å; R349-S361 PolarHBondContact N-O 3.46Å; R349-S361 PolarHBondContact O-N 2.88Å; R349-S361 VanDerWaalsContact O-N 3.08Å
362G65.8Low62.4Low29 Ų2990.5 Ų90.530%0.29954%0.542SS..EExtended strand (participates in β ladder)trans-64.7160.217500000112.8H347 Q364H347-G362 CarbonylContact O-C 3.55Å; H347-G362 WeakPolarHBondContact O-CA 3.16Å; G362-Q364 PolarHBondContact O-N 3.27Å
363T60.9Low61.6Low66 Ų6691.5 Ų91.541%0.40555%0.548SS..SBendtrans-70.110.5-166.2-21.30000116H347H347-T363 WeakPolarHBondContact CB-OG1 3.44Å; H347-T363 PolarHBondContact ND1-OG1 2.95Å; H347-T363 PolarHBondContact O-N 2.98Å; H347-T363 VanDerWaalsContact O-N 3.13Å; H347-T363 PolarHBondContact O-OG1 3.25Å
364Q53.7Low61Low183 Ų18395.8 Ų95.886%0.85557%0.566SS**  trans-126.767173.9-70-162.555.500112.4G362 A366G362-Q364 PolarHBondContact O-N 3.27Å; Q364-A366 PolarHBondContact O-N 3.32Å; Q364-A366 VanDerWaalsContact O-N 3.11Å
365I51.5Low60.8Low102 Ų10293.2 Ų93.252%0.52356%0.557SS.*  trans-76.286.6151.9-57.3180000107.2F351F351-I365 HydrophobicContact CE2-CD1 4.11Å; F351-I365 HydrophobicContact CZ-CD1 4.18Å
366A43.5Very low60.7Low78 Ų7891.3 Ų91.365%0.64555%0.551SS**  trans-61.1134.6162.300000108.6Q364 R368Q364-A366 PolarHBondContact O-N 3.32Å; Q364-A366 VanDerWaalsContact O-N 3.11Å; A366-R368 VanDerWaalsContact C-N 3.29Å; A366-R368 PolarHBondContact O-N 3.2Å
367T48.1Very low60.7Low127 Ų12792 Ų9278%0.77954%0.544SS*.SBendtrans-67.475.7-165.6-41.40000113.6
368R45.6Very low60.5Low251 Ų25194.1 Ų94.195%0.94756%0.557SS**  trans-116.839.1-178.4-149.3179.4-167.9-143.31.4112.9A366A366-R368 VanDerWaalsContact C-N 3.29Å; A366-R368 PolarHBondContact O-N 3.2Å
369G41.3Very low59.9Low53 Ų5396.8 Ų96.855%0.54657%0.566SS.*SBendtrans-163.5154.2173.800000108.4
370S43.1Very low59Low95 Ų95102.7 Ų102.766%0.66459%0.586SS**  trans-45.4131.1-169.9-170.40000113.6
371P43.3Very low57.9Low112 Ų112103.3 Ų103.373%0.72760%0.596SS**THydrogen-bonded Turntrans-63.8140.6179.227.2-34.5000111.5
372G55Low56.9Low49 Ų49113.6 Ų113.651%0.50564%0.638SS.*THydrogen-bonded Turntrans91.415167.800000117.7K354K354-G372 PolarHBondContact NZ-O 2.94Å
373V63.2Low56.5Low74 Ų74117.8 Ų117.845%0.44866%0.655SS.*SBendtrans-84.1-41.6175.8-1740000112.8S353S353-V373 WeakPolarHBondContact CA-O 3.17Å; S353-V373 WeakPolarHBondContact CB-O 3.31Å
374F64.1Low56.2Low98 Ų98120.5 Ų120.543%0.4367%0.669SS.*EExtended strand (participates in β ladder)trans-126.8136.5-173.3-77.1-85.1000111.5F351 V352 S353 A359F351-F374 HydrophobicContact CB-CB 4.2Å; F351-F374 HydrophobicContact CB-CD1 4.15Å; V352-F374 WeakPolarHBondContact O-CA 3.35Å; S353-F374 VanDerWaalsContact CB-CE1 3.42Å; S353-F374 WeakPolarHBondContact OG-CE1 3.41Å; S353-F374 WeakPolarHBondContact OG-CZ 3.42Å; A359-F374 HydrophobicContact CB-CE1 4.25Å
375E73.1Confident56.4Low110 Ų110117.1 Ų117.151%0.51466%0.658SS.*EExtended strand (participates in β ladder)trans-122.4143.5178.6-69.5172.8-15300110.5F351 V352 K354F351-E375 CarbonylContact C-O 3.57Å; F351-E375 VanDerWaalsContact CA-O 3.31Å; F351-E375 WeakPolarHBondContact CA-O 3.39Å; V352-E375 PolarHBondContact N-O 3.3Å; V352-E375 PolarHBondContact O-N 2.94Å; K354-E375 WeakPolarHBondContact CE-OE1 3.31Å; K354-E375 IonicContact NZ-OE1 2.71Å
376P72.4Confident56.7Low75 Ų75117.9 Ų117.949%0.48767%0.666SS.*EExtended strand (participates in β ladder)trans-77.3137.8-176.131-34.3000112F351 V378F351-P376 HydrophobicContact CD1-CB 4Å; F351-P376 HydrophobicContact CE1-CB 3.84Å; P376-V378 PolarHBondContact O-N 3.26Å
377V74.8Confident57.5Low65 Ų65120.4 Ų120.439%0.39467%0.668SS.*PPolyproline II helixtrans-77.7123.8174.8-174.60000110L350 V352 I379L350-V377 HydrophobicContact CB-CB 4.45Å; L350-V377 HydrophobicContact CB-CG2 4.3Å; L350-V377 HydrophobicContact CD2-CG2 4.04Å; L350-V377 HydrophobicContact CG-CG2 4.04Å; L350-V377 PolarHBondContact O-N 2.86Å; V352-V377 HydrophobicContact CG2-CG2 3.51Å; V377-I379 HydrophobicContact CG1-CG1 4.06Å
378V73Confident58.1Low119 Ų119120 Ų12072%0.72166%0.66SS**PPolyproline II helixtrans-97.8130.5166.2-178.60000107.9P376 E380P376-V378 PolarHBondContact O-N 3.26Å; V378-E380 HydrophobicContact CG1-CG 4.41Å
379I68.6Low59Low142 Ų142110.6 Ų110.673%0.72864%0.64SS**  trans-114.3109.3174.2-58175.1000106.6V377V377-I379 HydrophobicContact CG1-CG1 4.06Å
380E56.3Low60.4Low167 Ų167115.1 Ų115.178%0.7865%0.647SS**  trans-80.3125.3173.2-64.1-173.1152.900109.6V378V378-E380 HydrophobicContact CG1-CG 4.41Å
381T51.6Low61.8Low135 Ų135116.8 Ų116.883%0.82865%0.645SS**  trans-90.9117.3174.152.20000109.8
382H46.7Very low63.5Low255 Ų255117.2 Ų117.2100%1.18164%0.638SS**  trans-84.60174.6-97.7-55.3000113.1

Retrieved 382 of 382 residues in 481.3 ms (Link to these results)

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