A0A077ZHB3_TRITR Loading...

DNA-directed RNA polymerase

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A077ZHB3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 312 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
1M51.9Low79.4Confident161 Ų16199 Ų9979%0.79348%0.476SS*.  0156.70-100.1165.4169.500107.8E3 A232 I234M1-E3 PolarHBondContact O-N 3.15Å; M1-A232 HydrophobicContact CE-CB 3.75Å; M1-A232 HydrophobicContact SD-CB 3.91Å; M1-I234 HydrophobicContact SD-CG1 4.23Å
2I63.2Low79.8Confident154 Ų15499 Ų9979%0.7948%0.478SS*.  trans-75.6110165.2-60.7173.1000104.7
3E72.6Confident79.9Confident119 Ų11998.2 Ų98.256%0.55648%0.478SS*.PPolyproline II helixtrans-77.4138.2-175.1-69.6163.5-176.500110.2M1 V236M1-E3 PolarHBondContact O-N 3.15Å; E3-V236 HydrophobicContact CB-CB 4.17Å; E3-V236 HydrophobicContact CB-CG2 3.7Å; E3-V236 HydrophobicContact CG-CG2 3.56Å; E3-V236 VanDerWaalsContact OE2-CG2 3.32Å; E3-V236 WeakPolarHBondContact OE2-CG2 3.16Å
4F78.8Confident79.7Confident62 Ų6295.9 Ų95.927%0.27247%0.466SS..EExtended strand (participates in β ladder)trans-88.9140.7173.8-62.3-59.9000110.2E27 I234 V236F4-E27 HydrophobicContact CD1-CG 3.39Å; F4-E27 HydrophobicContact CE1-CG 3.71Å; F4-E27 HydrophobicContact CG-CG 4.41Å; F4-I234 HydrophobicContact CD2-CB 4.43Å; F4-I234 HydrophobicContact CD2-CG2 3.35Å; F4-I234 HydrophobicContact CE2-CG2 3.47Å; F4-I234 VanDerWaalsContact CE2-CG2 3.47Å; F4-I234 PolarHBondContact N-O 3.49Å; F4-V236 PolarHBondContact O-N 3.3Å
5E76.3Confident80.1Confident30 Ų3096.7 Ų96.714%0.1447%0.473CS..EExtended strand (participates in β ladder)trans-70.8131.9171.2-170.3165.6159.100109.9P7 P25 K238E5-P7 VanDerWaalsContact O-CD 3.31Å; E5-P7 WeakPolarHBondContact O-CD 3.42Å; E5-P25 HydrophobicContact CG-CG 4.33Å; E5-K238 HydrophobicContact CG-CD 4.42Å; E5-K238 IonicContact OE2-NZ 2.69Å; E5-K238 PolarHBondContact OE2-NZ 3.25Å
6K83.5Confident80.2Confident98 Ų9898.8 Ų98.843%0.42647%0.474SS..PPolyproline II helixtrans-69.1117.9-179.7-167.3177.6-178.51790110.2V236 E237K6-V236 PolarHBondContact N-O 2.82Å; K6-E237 HydrophobicContact CB-CG 4.09Å; K6-E237 HydrophobicContact CD-CG 3.5Å; K6-E237 VanDerWaalsContact CD-OE1 3.3Å; K6-E237 WeakPolarHBondContact CD-OE1 3.31Å; K6-E237 HydrophobicContact CG-CG 4.46Å; K6-E237 IonicContact NZ-OE1 3Å; K6-E237 PolarHBondContact NZ-OE1 3.04Å
7P86.7Confident80.8Confident43 Ų4397 Ų9728%0.27947%0.468SS..PPolyproline II helixtrans-68.5150.8-179.927.4-34.1000111.2E5 V23 P25 L26E5-P7 VanDerWaalsContact O-CD 3.31Å; E5-P7 WeakPolarHBondContact O-CD 3.42Å; P7-V23 HydrophobicContact CB-CG1 3.84Å; P7-V23 HydrophobicContact CG-CG1 4.46Å; P7-P25 WeakPolarHBondContact CB-O 3.36Å; P7-L26 HydrophobicContact CB-CD2 3.82Å; P7-L26 HydrophobicContact CB-CG 4.46Å; P7-L26 HydrophobicContact CG-CD2 3.93Å
8R88.5Confident81.6Confident144 Ų14493.7 Ų93.754%0.54345%0.45SS..EExtended strand (participates in β ladder)trans-103137.4171.3-62-179.6-174.6156.27.2109.1V23 E24 E240R8-V23 WeakPolarHBondContact O-CA 3.46Å; R8-E24 PolarHBondContact N-O 3.02Å; R8-E24 PolarHBondContact O-N 3.43Å; R8-E24 VanDerWaalsContact O-N 3.1Å; R8-E240 IonicContact CZ-OE2 2.74Å; R8-E240 IonicContact NH1-OE2 2.61Å; R8-E240 IonicContact NH2-OE2 2.68Å; R8-E240 PolarHBondContact NH2-OE2 2.91Å; R8-E240 VanDerWaalsContact NH2-OE2 3.09Å
9I92Very high82.3Confident110 Ų11088.7 Ų88.756%0.56443%0.426SS*.EExtended strand (participates in β ladder)trans-100.6124.2170.8-173.4164.4000109.2F21 V22 V23 L208I9-F21 HydrophobicContact CD1-CB 4.46Å; I9-V22 CarbonylContact C-O 3.59Å; I9-V22 WeakPolarHBondContact CA-O 3.42Å; I9-V23 HydrophobicContact CB-CG2 4.17Å; I9-V23 HydrophobicContact CD1-CG2 3.98Å; I9-V23 HydrophobicContact CG1-CG2 3.88Å; I9-L208 HydrophobicContact CD1-CD2 4.41Å
10T90.3Very high83.1Confident77 Ų7787.3 Ų87.347%0.47242%0.418SS..EExtended strand (participates in β ladder)trans-113.7132.3175.3-540000109.1V22T10-V22 PolarHBondContact N-O 3.21Å; T10-V22 PolarHBondContact O-N 3.2Å
11K89.7Confident83.7Confident91 Ų9183.4 Ų83.440%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-91.7118.2173.1-176.6178.6-177.9172.20108.4E14 F21K11-E14 WeakPolarHBondContact CE-OE1 3.5Å; K11-E14 WeakPolarHBondContact CE-OE2 3.49Å; K11-E14 IonicContact NZ-OE1 3.86Å; K11-E14 PolarHBondContact NZ-OE1 3.36Å; K11-E14 IonicContact NZ-OE2 3.71Å; K11-E14 PolarHBondContact NZ-OE2 3.13Å; K11-F21 HydrophobicContact CG-CD1 4.49Å; K11-F21 HydrophobicContact CG-CE1 4.21Å
12I84.3Confident85.9Confident99 Ų9975.9 Ų75.951%0.50836%0.362SS..EExtended strand (participates in β ladder)trans-91.8-45.1-176.4-64.1-168.9000110.8K20 V22I12-K20 HydrophobicContact CB-CB 4.35Å; I12-K20 HydrophobicContact CB-CD 4.27Å; I12-K20 HydrophobicContact CB-CG 4.15Å; I12-K20 HydrophobicContact CG2-CD 4.17Å; I12-K20 PolarHBondContact N-O 3.04Å; I12-V22 HydrophobicContact CD1-CB 4.11Å; I12-V22 HydrophobicContact CD1-CG2 3.26Å; I12-V22 HydrophobicContact CG1-CB 4.49Å; I12-V22 HydrophobicContact CG1-CG2 3.99Å
13D80.7Confident87.4Confident88 Ų8869.7 Ų69.747%0.47133%0.332SS..EExtended strand (participates in β ladder)trans-150143.4-175.2-160-0.6000109.2Y18 G19 K20D13-Y18 HydrophobicContact CB-CE1 4.2Å; D13-G19 WeakPolarHBondContact O-CA 3.24Å; D13-K20 HydrophobicContact CB-CB 4.16Å; D13-K20 PolarHBondContact O-N 3.36Å
14E76.7Confident88.3Confident67 Ų6766.4 Ų66.431%0.31332%0.316SS..EExtended strand (participates in β ladder)trans-152.2124.4172.9-174.7-174.4-108.400109.9K11 Y18 Q205K11-E14 WeakPolarHBondContact CE-OE1 3.5Å; K11-E14 WeakPolarHBondContact CE-OE2 3.49Å; K11-E14 IonicContact NZ-OE1 3.86Å; K11-E14 PolarHBondContact NZ-OE1 3.36Å; K11-E14 IonicContact NZ-OE2 3.71Å; K11-E14 PolarHBondContact NZ-OE2 3.13Å; E14-Y18 WeakPolarHBondContact CA-O 3.49Å; E14-Q205 WeakPolarHBondContact OE1-CB 3.27Å
15D85.9Confident89Confident107 Ų10764.3 Ų64.357%0.57231%0.309SS*.  trans-111.8178.1161.4-154-23.6000108.2D17 Y18D15-D17 PolarHBondContact O-N 3.01Å; D15-Y18 PolarHBondContact N-O 3.24Å
16R82.5Confident89.8Confident131 Ų13163.3 Ų63.349%0.49430%0.304SS..SBendtrans-57.7-37.6179.6-174179.5-179.5177.15.2112.6
17D89.5Confident90.1Very high68 Ų6861.2 Ų61.236%0.36430%0.296SS..SBendtrans-114.77.6-174.369.2-17.7000113.8D15 W197 T198D15-D17 PolarHBondContact O-N 3.01Å; D17-W197 CarbonylContact O-C 3.51Å; D17-W197 VanDerWaalsContact O-CA 3.24Å; D17-W197 WeakPolarHBondContact O-CA 3.44Å; D17-T198 PolarHBondContact O-N 3.05Å
18Y95.8Very high90.3Very high37 Ų3768.1 Ų68.115%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-142.8142.6179.2173.7-105.9000112D13 E14 D15 K20 E195 I196 W197D13-Y18 HydrophobicContact CB-CE1 4.2Å; E14-Y18 WeakPolarHBondContact CA-O 3.49Å; D15-Y18 PolarHBondContact N-O 3.24Å; Y18-K20 HydrophobicContact CE1-CB 4.16Å; Y18-E195 HydrophobicContact CE2-CB 4Å; Y18-E195 HydrophobicContact CE2-CG 4.34Å; Y18-E195 PolarHBondContact OH-OE2 2.85Å; Y18-I196 CarbonylContact C-O 3.52Å; Y18-I196 VanDerWaalsContact CA-O 3.3Å; Y18-I196 WeakPolarHBondContact CA-O 3.46Å; Y18-W197 AromaticContact CD2-CD1 3.68Å; Y18-W197 AromaticContact CD2-CD2 3.89Å; Y18-W197 HydrophobicContact CD2-CD2 3.89Å; Y18-W197 AromaticContact CD2-CE2 3.45Å; Y18-W197 VanDerWaalsContact CD2-CE2 3.45Å; Y18-W197 HydrophobicContact CD2-CG 4.06Å; Y18-W197 AromaticContact CD2-CZ2 3.91Å; Y18-W197 HydrophobicContact CD2-CZ2 3.91Å; Y18-W197 AromaticContact CD2-NE1 3.3Å; Y18-W197 VanDerWaalsContact CD2-NE1 3.3Å; Y18-W197 HydrophobicContact CE2-CD2 4.18Å; Y18-W197 AromaticContact CE2-CE2 3.52Å; Y18-W197 AromaticContact CE2-CH2 4Å; Y18-W197 HydrophobicContact CE2-CH2 4Å; Y18-W197 AromaticContact CE2-CZ2 3.43Å; Y18-W197 HydrophobicContact CE2-CZ2 3.43Å; Y18-W197 VanDerWaalsContact CE2-CZ2 3.43Å; Y18-W197 AromaticContact CE2-NE1 3.77Å
19G95.9Very high90.5Very high0 Ų062.7 Ų62.70%031%0.305CS..EExtended strand (participates in β ladder)trans-147.7140.2169.900000113.1D13 E195 I196D13-G19 WeakPolarHBondContact O-CA 3.24Å; G19-E195 WeakPolarHBondContact O-CA 3.42Å; G19-I196 PolarHBondContact N-O 2.63Å; G19-I196 PolarHBondContact O-N 3.08Å
20K97.2Very high90.5Very high60 Ų6062.5 Ų62.526%0.26130%0.298SS..EExtended strand (participates in β ladder)trans-118.3117.7176.7-173.4171.5-177.4169.70111.4I12 D13 Y18 T193 M194 E195I12-K20 HydrophobicContact CB-CB 4.35Å; I12-K20 HydrophobicContact CB-CD 4.27Å; I12-K20 HydrophobicContact CB-CG 4.15Å; I12-K20 HydrophobicContact CG2-CD 4.17Å; I12-K20 PolarHBondContact N-O 3.04Å; D13-K20 HydrophobicContact CB-CB 4.16Å; D13-K20 PolarHBondContact O-N 3.36Å; Y18-K20 HydrophobicContact CE1-CB 4.16Å; K20-T193 HydrophobicContact CG-CG2 4.22Å; K20-M194 WeakPolarHBondContact CA-O 3.18Å; K20-E195 HydrophobicContact CB-CG 4.48Å; K20-E195 HydrophobicContact CD-CG 4.3Å; K20-E195 HydrophobicContact CG-CG 4.07Å
21F97Very high90.7Very high6 Ų658.8 Ų58.83%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-120.2136.7-176.5-53.5-84.8000110.2I9 K11 T193 M194 I196 A204 Q205 L208I9-F21 HydrophobicContact CD1-CB 4.46Å; K11-F21 HydrophobicContact CG-CD1 4.49Å; K11-F21 HydrophobicContact CG-CE1 4.21Å; F21-T193 CarbonylContact O-C 3.55Å; F21-T193 WeakPolarHBondContact O-CA 3.38Å; F21-M194 PolarHBondContact N-O 3.26Å; F21-M194 PolarHBondContact O-N 3.08Å; F21-I196 HydrophobicContact CD2-CD1 4.12Å; F21-I196 HydrophobicContact CE2-CD1 4.06Å; F21-A204 HydrophobicContact CE2-CB 4.04Å; F21-A204 HydrophobicContact CZ-CB 4.25Å; F21-Q205 HydrophobicContact CE1-CB 4.06Å; F21-Q205 HydrophobicContact CE1-CG 4.34Å; F21-Q205 HydrophobicContact CZ-CB 3.87Å; F21-L208 HydrophobicContact CB-CD2 4.08Å; F21-L208 HydrophobicContact CD1-CD2 4.09Å; F21-L208 HydrophobicContact CD2-CD2 3.66Å; F21-L208 HydrophobicContact CE2-CD2 4.13Å; F21-L208 HydrophobicContact CG-CD2 3.65Å
22V96.2Very high91Very high3 Ų357.9 Ų57.92%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-121.5129.3175.5172.30000109.6I9 T10 I12 E24 K191 L192 T193I9-V22 CarbonylContact C-O 3.59Å; I9-V22 WeakPolarHBondContact CA-O 3.42Å; T10-V22 PolarHBondContact N-O 3.21Å; T10-V22 PolarHBondContact O-N 3.2Å; I12-V22 HydrophobicContact CD1-CB 4.11Å; I12-V22 HydrophobicContact CD1-CG2 3.26Å; I12-V22 HydrophobicContact CG1-CB 4.49Å; I12-V22 HydrophobicContact CG1-CG2 3.99Å; V22-E24 HydrophobicContact CG1-CG 4.42Å; V22-K191 HydrophobicContact CG1-CD 4.34Å; V22-K191 HydrophobicContact CG1-CG 3.88Å; V22-L192 CarbonylContact C-O 3.47Å; V22-L192 VanDerWaalsContact CA-O 3.32Å; V22-L192 WeakPolarHBondContact CA-O 3.5Å; V22-T193 HydrophobicContact CG2-CG2 3.92Å; V22-T193 WeakPolarHBondContact CG2-OG1 3.31Å
23V95.1Very high91.6Very high24 Ų2457.3 Ų57.315%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-120.7119.1178.6-173.60000109P7 R8 I9 L26 L192P7-V23 HydrophobicContact CB-CG1 3.84Å; P7-V23 HydrophobicContact CG-CG1 4.46Å; R8-V23 WeakPolarHBondContact O-CA 3.46Å; I9-V23 HydrophobicContact CB-CG2 4.17Å; I9-V23 HydrophobicContact CD1-CG2 3.98Å; I9-V23 HydrophobicContact CG1-CG2 3.88Å; V23-L26 HydrophobicContact CB-CD1 4.26Å; V23-L26 HydrophobicContact CG1-CD1 4.03Å; V23-L26 HydrophobicContact CG1-CD2 4.02Å; V23-L26 HydrophobicContact CG1-CG 4.07Å; V23-L192 HydrophobicContact CB-CB 4.45Å; V23-L192 PolarHBondContact N-O 2.89Å; V23-L192 PolarHBondContact O-N 3.33Å
24E93.1Very high92.4Very high49 Ų4955.9 Ų55.923%0.22927%0.271CS..EExtended strand (participates in β ladder)trans-158.5157.3177.364.9-174.6139.600112R8 V22 T181 K191R8-E24 PolarHBondContact N-O 3.02Å; R8-E24 PolarHBondContact O-N 3.43Å; R8-E24 VanDerWaalsContact O-N 3.1Å; V22-E24 HydrophobicContact CG1-CG 4.42Å; E24-T181 HydrophobicContact CB-CG2 4.29Å; E24-T181 WeakPolarHBondContact OE2-CB 3.19Å; E24-T181 PolarHBondContact OE2-OG1 3.19Å; E24-K191 HydrophobicContact CB-CB 4.08Å; E24-K191 HydrophobicContact CB-CG 4.16Å; E24-K191 HydrophobicContact CG-CG 4.48Å; E24-K191 IonicContact OE1-NZ 3.89Å; E24-K191 PolarHBondContact OE1-NZ 3.35Å; E24-K191 WeakPolarHBondContact OE2-CD 3.23Å; E24-K191 IonicContact OE2-NZ 2.85Å
25P92.7Very high93.3Very high19 Ų1952.7 Ų52.712%0.12326%0.256CS..EExtended strand (participates in β ladder)cis-78.8139.9-12.633.1-33.2000111.5E5 P7 T181 V183 F189E5-P25 HydrophobicContact CG-CG 4.33Å; P7-P25 WeakPolarHBondContact CB-O 3.36Å; P25-T181 HydrophobicContact CB-CG2 4.13Å; P25-V183 HydrophobicContact CB-CG2 3.39Å; P25-V183 HydrophobicContact CG-CG2 3.76Å; P25-F189 HydrophobicContact CB-CB 4.16Å; P25-F189 HydrophobicContact CB-CD1 4.2Å; P25-F189 HydrophobicContact CB-CG 4.23Å
26L92.2Very high93.8Very high8 Ų850.7 Ų50.74%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-109.3146.6171.3-69168.9000109.3P7 V23 L34 F189 D190 L192P7-L26 HydrophobicContact CB-CD2 3.82Å; P7-L26 HydrophobicContact CB-CG 4.46Å; P7-L26 HydrophobicContact CG-CD2 3.93Å; V23-L26 HydrophobicContact CB-CD1 4.26Å; V23-L26 HydrophobicContact CG1-CD1 4.03Å; V23-L26 HydrophobicContact CG1-CD2 4.02Å; V23-L26 HydrophobicContact CG1-CG 4.07Å; L26-L34 HydrophobicContact CD1-CD1 4.13Å; L26-L34 HydrophobicContact CD2-CD1 3.79Å; L26-F189 CarbonylContact O-C 3.59Å; L26-F189 WeakPolarHBondContact O-CA 3.47Å; L26-F189 WeakPolarHBondContact O-CB 3.43Å; L26-F189 WeakPolarHBondContact O-CD1 3.43Å; L26-D190 HydrophobicContact CB-CB 3.93Å; L26-D190 WeakPolarHBondContact CB-O 3.3Å; L26-D190 PolarHBondContact N-O 3.44Å; L26-D190 PolarHBondContact O-N 3.09Å; L26-L192 HydrophobicContact CD1-CB 3.7Å; L26-L192 HydrophobicContact CD1-CD2 4.38Å
27E90.3Very high94.5Very high54 Ų5446.2 Ų46.225%0.25224%0.235SC..  trans-58153.6171.9-72.2-66.6160.600111.6F4 G29 Y30F4-E27 HydrophobicContact CD1-CG 3.39Å; F4-E27 HydrophobicContact CE1-CG 3.71Å; F4-E27 HydrophobicContact CG-CG 4.41Å; E27-G29 PolarHBondContact O-N 3.2Å; E27-G29 VanDerWaalsContact O-N 3.16Å; E27-Y30 HydrophobicContact CB-CD2 3.56Å; E27-Y30 HydrophobicContact CB-CE2 3.87Å; E27-Y30 HydrophobicContact CB-CG 4.04Å; E27-Y30 VanDerWaalsContact O-CB 3.28Å; E27-Y30 WeakPolarHBondContact O-CB 3.37Å; E27-Y30 PolarHBondContact O-N 3.3Å
28R90.5Very high94.9Very high188 Ų18843.9 Ų43.971%0.70922%0.222SC*.THydrogen-bonded Turntrans-52.9123.7-178.7-170.9-179.9172.3-154.8-3.2111.5Y30 D188R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.08Å; R28-D188 VanDerWaalsContact CB-O 3.31Å; R28-D188 WeakPolarHBondContact CB-O 3.34Å
29G92.4Very high95Very high30 Ų3046.6 Ų46.631%0.30923%0.232SC..THydrogen-bonded Turntrans85.6-11.5-179.400000115.1E27 G31 T32 T33 D190E27-G29 PolarHBondContact O-N 3.2Å; E27-G29 VanDerWaalsContact O-N 3.16Å; G29-G31 VanDerWaalsContact C-N 3.32Å; G29-T32 PolarHBondContact O-N 2.8Å; G29-T33 PolarHBondContact O-N 3.22Å; G29-T33 VanDerWaalsContact O-N 3.12Å; G29-T33 PolarHBondContact O-OG1 3.46Å; G29-D190 VanDerWaalsContact CA-OD2 3.24Å; G29-D190 WeakPolarHBondContact CA-OD2 3.34Å; G29-D190 PolarHBondContact N-OD1 2.86Å; G29-D190 PolarHBondContact N-OD2 2.6Å
30Y93.2Very high94.9Very high106 Ų10654.4 Ų54.442%0.41626%0.261SS..Hα-helixtrans-71-30.1176.2-81.9-122.3000111.5E27 R28 T32 T33 L34 D190E27-Y30 HydrophobicContact CB-CD2 3.56Å; E27-Y30 HydrophobicContact CB-CE2 3.87Å; E27-Y30 HydrophobicContact CB-CG 4.04Å; E27-Y30 VanDerWaalsContact O-CB 3.28Å; E27-Y30 WeakPolarHBondContact O-CB 3.37Å; E27-Y30 PolarHBondContact O-N 3.3Å; R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.08Å; Y30-T32 VanDerWaalsContact C-N 3.32Å; Y30-T32 PolarHBondContact O-N 3.49Å; Y30-T33 PolarHBondContact O-N 2.85Å; Y30-L34 WeakPolarHBondContact O-CB 3.42Å; Y30-L34 WeakPolarHBondContact O-CG 3.44Å; Y30-L34 PolarHBondContact O-N 2.97Å; Y30-D190 PolarHBondContact N-OD2 3.06Å
31G94.7Very high94.9Very high0 Ų052.6 Ų52.60%025%0.254CS..Hα-helixtrans-59.1-45.1174.300000111.5G29 G35 V178 D190G29-G31 VanDerWaalsContact C-N 3.32Å; G31-G35 WeakPolarHBondContact O-CA 2.99Å; G31-G35 PolarHBondContact O-N 3.14Å; G31-V178 VanDerWaalsContact C-CG2 3.48Å; G31-D190 WeakPolarHBondContact CA-OD2 3.4Å; G31-D190 PolarHBondContact N-OD2 2.83Å
32T96.2Very high94.8Very high72 Ų7252.3 Ų52.344%0.44225%0.253SS..Hα-helixtrans-68-41.7177.2-59.70000111.4G29 Y30 N36G29-T32 PolarHBondContact O-N 2.8Å; Y30-T32 VanDerWaalsContact C-N 3.32Å; Y30-T32 PolarHBondContact O-N 3.49Å; T32-N36 WeakPolarHBondContact O-CB 3.09Å; T32-N36 PolarHBondContact O-N 3.46Å
33T96.3Very high94.7Very high87 Ų8754.5 Ų54.553%0.53426%0.264SS..Hα-helixtrans-62.6-50-179.1-57.60000111.5G29 Y30 S37G29-T33 PolarHBondContact O-N 3.22Å; G29-T33 VanDerWaalsContact O-N 3.12Å; G29-T33 PolarHBondContact O-OG1 3.46Å; Y30-T33 PolarHBondContact O-N 2.85Å; T33-S37 VanDerWaalsContact O-CB 3.27Å; T33-S37 WeakPolarHBondContact O-CB 2.94Å; T33-S37 PolarHBondContact O-N 2.94Å; T33-S37 PolarHBondContact O-OG 3.4Å
34L96.5Very high94.5Very high58 Ų5856.3 Ų56.330%0.30428%0.278SS..Hα-helixtrans-69.5-48178.6-67.3175.3000111.3L26 Y30 N36 S37 L38 L192L26-L34 HydrophobicContact CD1-CD1 4.13Å; L26-L34 HydrophobicContact CD2-CD1 3.79Å; Y30-L34 WeakPolarHBondContact O-CB 3.42Å; Y30-L34 WeakPolarHBondContact O-CG 3.44Å; Y30-L34 PolarHBondContact O-N 2.97Å; L34-N36 PolarHBondContact O-N 3.09Å; L34-S37 PolarHBondContact O-N 2.66Å; L34-L38 WeakPolarHBondContact O-CB 3.42Å; L34-L38 WeakPolarHBondContact O-CG 3.11Å; L34-L38 PolarHBondContact O-N 3.37Å; L34-L192 HydrophobicContact CB-CD2 4Å
35G96.7Very high94.4Very high0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-58.6-47.2-178.300000112.6G31 R39G31-G35 WeakPolarHBondContact O-CA 2.99Å; G31-G35 PolarHBondContact O-N 3.14Å; G35-R39 WeakPolarHBondContact O-CB 3.47Å; G35-R39 PolarHBondContact O-N 3.1Å
36N97.1Very high94.4Very high64 Ų6454.9 Ų54.934%0.34227%0.274SS..Hα-helixtrans-67.7-42.1178-173.448.1000112.4T32 L34 R39 R40 Y176T32-N36 WeakPolarHBondContact O-CB 3.09Å; T32-N36 PolarHBondContact O-N 3.46Å; L34-N36 PolarHBondContact O-N 3.09Å; N36-R39 PolarHBondContact O-N 2.98Å; N36-R40 WeakPolarHBondContact O-CG 3.13Å; N36-R40 PolarHBondContact O-N 2.63Å; N36-R40 VanDerWaalsContact O-N 3.09Å; N36-Y176 HydrophobicContact CB-CE1 4.38Å
37S97Very high94.4Very high38 Ų3857.3 Ų57.327%0.26629%0.29SS..Hα-helixtrans-65.3-48.6-178.8-58.60000111.5T33 L34 R40 I41T33-S37 VanDerWaalsContact O-CB 3.27Å; T33-S37 WeakPolarHBondContact O-CB 2.94Å; T33-S37 PolarHBondContact O-N 2.94Å; T33-S37 PolarHBondContact O-OG 3.4Å; L34-S37 PolarHBondContact O-N 2.66Å; S37-R40 PolarHBondContact O-N 3.2Å; S37-I41 WeakPolarHBondContact O-CG1 3.28Å; S37-I41 PolarHBondContact O-N 3.43Å
38L97.1Very high94.6Very high18 Ų1855.7 Ų55.79%0.09429%0.288CS..Hα-helixtrans-64-42.3177.4-68.6168.3000111.2L34 R40 I41 L42 M194 L208 A211 A212 L215L34-L38 WeakPolarHBondContact O-CB 3.42Å; L34-L38 WeakPolarHBondContact O-CG 3.11Å; L34-L38 PolarHBondContact O-N 3.37Å; L38-R40 VanDerWaalsContact C-N 3.29Å; L38-R40 PolarHBondContact O-N 2.96Å; L38-I41 PolarHBondContact O-N 3.37Å; L38-L42 VanDerWaalsContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 VanDerWaalsContact O-CG 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.79Å; L38-M194 HydrophobicContact CB-CE 4.28Å; L38-M194 HydrophobicContact CB-SD 4.31Å; L38-M194 HydrophobicContact CD1-CE 3.8Å; L38-M194 HydrophobicContact CD1-SD 4.31Å; L38-L208 HydrophobicContact CD1-CD1 4.09Å; L38-L208 HydrophobicContact CD2-CD1 4.42Å; L38-A211 HydrophobicContact CD2-CB 4.37Å; L38-A212 HydrophobicContact CD2-CB 4.02Å; L38-L215 HydrophobicContact CD2-CD2 4.31Å
39R97Very high94.8Very high94 Ų9447.3 Ų47.336%0.35526%0.259SS..Hα-helixtrans-55-43.7174.7172169.3-175.7-75.8-2.6112.5G35 N36 L43 V174 Y176G35-R39 WeakPolarHBondContact O-CB 3.47Å; G35-R39 PolarHBondContact O-N 3.1Å; N36-R39 PolarHBondContact O-N 2.98Å; R39-L43 HydrophobicContact CG-CD1 4.03Å; R39-L43 WeakPolarHBondContact O-CG 3.43Å; R39-L43 PolarHBondContact O-N 3Å; R39-V174 HydrophobicContact CB-CB 4.47Å; R39-V174 HydrophobicContact CB-CG1 3.94Å; R39-V174 HydrophobicContact CG-CB 4.01Å; R39-V174 HydrophobicContact CG-CG1 3.98Å; R39-V174 PolarHBondContact NE-O 3.35Å; R39-V174 VanDerWaalsContact NE-O 3.15Å; R39-Y176 HydrophobicContact CB-CD1 4.32Å
40R95.4Very high94.9Very high165 Ų16546.2 Ų46.262%0.62325%0.247SC*.Hα-helixtrans-63-48.4179-71.6174.769.9119.33.5110.9N36 S37 L38 L43 S44N36-R40 WeakPolarHBondContact O-CG 3.13Å; N36-R40 PolarHBondContact O-N 2.63Å; N36-R40 VanDerWaalsContact O-N 3.09Å; S37-R40 PolarHBondContact O-N 3.2Å; L38-R40 VanDerWaalsContact C-N 3.29Å; L38-R40 PolarHBondContact O-N 2.96Å; R40-L43 PolarHBondContact O-N 3.31Å; R40-S44 PolarHBondContact O-N 3.07Å; R40-S44 VanDerWaalsContact O-N 3.17Å; R40-S44 PolarHBondContact O-OG 3.45Å
41I95.9Very high95Very high21 Ų2141.7 Ų41.711%0.10823%0.23CC..Hα-helixtrans-66-44.1-177.7-63.9170.2000111.4S37 L38 L43 S44 S45 A211 I214 L215S37-I41 WeakPolarHBondContact O-CG1 3.28Å; S37-I41 PolarHBondContact O-N 3.43Å; L38-I41 PolarHBondContact O-N 3.37Å; I41-L43 VanDerWaalsContact C-N 3.26Å; I41-L43 PolarHBondContact O-N 3.19Å; I41-S44 PolarHBondContact O-N 3.13Å; I41-S45 WeakPolarHBondContact O-CB 3.49Å; I41-S45 PolarHBondContact O-N 2.69Å; I41-A211 HydrophobicContact CB-CB 4.15Å; I41-A211 HydrophobicContact CG2-CB 3.65Å; I41-I214 HydrophobicContact CG2-CB 4.01Å; I41-I214 HydrophobicContact CG2-CD1 4.08Å; I41-I214 HydrophobicContact CG2-CG2 3.99Å; I41-L215 HydrophobicContact CD1-CB 3.56Å; I41-L215 HydrophobicContact CD1-CD1 3.95Å; I41-L215 HydrophobicContact CD1-CG 4.19Å
42L95.5Very high95.1Very high0 Ų041.9 Ų41.90%023%0.231CC..Hα-helixtrans-55-41.9177.1-78.1166.7000111.9L38 L46 V171 V174 I196 A207 A211L38-L42 VanDerWaalsContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 VanDerWaalsContact O-CG 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.79Å; L42-L46 HydrophobicContact CD2-CD1 4.05Å; L42-V171 HydrophobicContact CB-CG1 4.43Å; L42-V171 HydrophobicContact CD2-CG2 4.28Å; L42-V171 WeakPolarHBondContact O-CB 3.32Å; L42-V174 HydrophobicContact CB-CG2 3.8Å; L42-V174 HydrophobicContact CD1-CG1 4.01Å; L42-V174 HydrophobicContact CD1-CG2 3.91Å; L42-V174 HydrophobicContact CG-CG2 4.46Å; L42-I196 HydrophobicContact CD1-CD1 3.72Å; L42-I196 HydrophobicContact CD1-CG1 4.12Å; L42-I196 HydrophobicContact CD2-CD1 4.37Å; L42-A207 HydrophobicContact CD2-CB 3.95Å; L42-A207 WeakPolarHBondContact CD2-O 3.27Å; L42-A211 HydrophobicContact CD2-CB 3.74Å; L42-A211 HydrophobicContact CG-CB 3.75Å
43L93.5Very high95.1Very high49 Ų4939.4 Ų39.426%0.25722%0.215SC..Hα-helixtrans-81.4-26.6-176.6-69.8171.2000114R39 R40 I41 T169 V171 V174R39-L43 HydrophobicContact CG-CD1 4.03Å; R39-L43 WeakPolarHBondContact O-CG 3.43Å; R39-L43 PolarHBondContact O-N 3Å; R40-L43 PolarHBondContact O-N 3.31Å; I41-L43 VanDerWaalsContact C-N 3.26Å; I41-L43 PolarHBondContact O-N 3.19Å; L43-T169 VanDerWaalsContact O-CB 3.32Å; L43-T169 WeakPolarHBondContact O-CB 3.3Å; L43-T169 PolarHBondContact O-OG1 2.89Å; L43-V171 HydrophobicContact CD2-CG1 4.14Å; L43-V174 HydrophobicContact CD2-CG2 4.11Å; L43-V174 HydrophobicContact CG-CG2 4.11Å
44S90.7Very high95.1Very high62 Ų6235.3 Ų35.343%0.43419%0.19SC..Hα-helixtrans-117.4-24.5-17064.70000116.2R40 I41 G145R40-S44 PolarHBondContact O-N 3.07Å; R40-S44 VanDerWaalsContact O-N 3.17Å; R40-S44 PolarHBondContact O-OG 3.45Å; I41-S44 PolarHBondContact O-N 3.13Å; S44-G145 VanDerWaalsContact O-CA 3.23Å; S44-G145 WeakPolarHBondContact O-CA 3.36Å; S44-G145 PolarHBondContact O-N 3.41Å
45S91.6Very high95.1Very high39 Ų3934.8 Ų34.827%0.27319%0.186SC..THydrogen-bonded Turntrans-120.3-7-158.8-58.30000114.2I41I41-S45 WeakPolarHBondContact O-CB 3.49Å; I41-S45 PolarHBondContact O-N 2.69Å
46L93Very high95Very high0 Ų035 Ų350%019%0.187CC..  trans-71.6140.2175.4-62.1-171.9000110.8L42 P170 V171 A207 L210 A211 I214L42-L46 HydrophobicContact CD2-CD1 4.05Å; L46-P170 HydrophobicContact CB-CG 4.08Å; L46-P170 HydrophobicContact CD1-CG 4.24Å; L46-V171 HydrophobicContact CD1-CG2 3.63Å; L46-A207 HydrophobicContact CD1-CB 3.73Å; L46-L210 HydrophobicContact CD2-CB 4.05Å; L46-L210 HydrophobicContact CD2-CD2 4.02Å; L46-L210 HydrophobicContact CD2-CG 3.9Å; L46-A211 HydrophobicContact CD2-CB 4.24Å; L46-I214 HydrophobicContact CD2-CD1 4.14Å
47P92.3Very high94.9Very high59 Ų5936 Ų3638%0.38319%0.192SC..EExtended strand (participates in β ladder)trans-69.6146.3171.131.4-33.8000110.9G143 R144 L210P47-G143 WeakPolarHBondContact CA-O 3.47Å; P47-R144 HydrophobicContact CB-CG 4.35Å; P47-L210 HydrophobicContact CG-CD2 3.93Å
48G93.7Very high94.7Very high20 Ų2038.3 Ų38.321%0.20622%0.222CC..EExtended strand (participates in β ladder)trans-164.1-167.9171.600000111.1P142 G143 Y168G48-P142 WeakPolarHBondContact O-CA 3.42Å; G48-G143 PolarHBondContact N-O 3.14Å; G48-G143 PolarHBondContact O-N 3.47Å; G48-Y168 VanDerWaalsContact CA-O 3.25Å; G48-Y168 WeakPolarHBondContact CA-O 3.35Å
49A94.6Very high94.5Very high12 Ų1237.8 Ų37.810%0.09922%0.22CC..EExtended strand (participates in β ladder)trans-125.3137.2-176.400000110.4L85 L87 V140 K141A49-L85 HydrophobicContact CB-CB 4.25Å; A49-L87 HydrophobicContact CB-CB 3.54Å; A49-V140 HydrophobicContact CB-CG2 4.02Å; A49-K141 WeakPolarHBondContact CA-O 3.27Å
50A94.9Very high94.3Very high7 Ų739.1 Ų39.16%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-146.4156.3179.700000111.7V140 K141 I167 Y168A50-V140 WeakPolarHBondContact O-CA 3.45Å; A50-K141 PolarHBondContact N-O 2.91Å; A50-K141 VanDerWaalsContact N-O 3.08Å; A50-K141 PolarHBondContact O-N 2.91Å; A50-I167 WeakPolarHBondContact CB-O 3.41Å; A50-Y168 HydrophobicContact CB-CD1 3.51Å; A50-Y168 HydrophobicContact CB-CD2 4.36Å; A50-Y168 HydrophobicContact CB-CE1 3.66Å; A50-Y168 HydrophobicContact CB-CE2 4.48Å; A50-Y168 HydrophobicContact CB-CG 3.9Å
51I96.4Very high94Very high11 Ų1135.6 Ų35.66%0.05622%0.224CC..EExtended strand (participates in β ladder)trans-76.2132.6173.3-64.9169.1000108.8N53 I54 I80 L83 L85 L138 T139 V164 S166I51-N53 WeakPolarHBondContact CG2-O 3.4Å; I51-I54 HydrophobicContact CG2-CD1 4.36Å; I51-I54 HydrophobicContact CG2-CG1 3.82Å; I51-I80 HydrophobicContact CD1-CG2 3.23Å; I51-I80 HydrophobicContact CG1-CG2 4.5Å; I51-L83 HydrophobicContact CD1-CD1 3.53Å; I51-L85 HydrophobicContact CD1-CD1 4.15Å; I51-L85 HydrophobicContact CG1-CD1 3.8Å; I51-L138 HydrophobicContact CD1-CB 4.13Å; I51-L138 HydrophobicContact CD1-CD1 3.92Å; I51-L138 HydrophobicContact CG1-CB 4.46Å; I51-L138 HydrophobicContact CG2-CB 4.41Å; I51-T139 CarbonylContact C-O 3.53Å; I51-T139 WeakPolarHBondContact CA-O 3.47Å; I51-V164 HydrophobicContact CB-CG2 4.48Å; I51-V164 HydrophobicContact CG2-CG2 3.86Å; I51-S166 WeakPolarHBondContact O-CB 3.34Å; I51-S166 PolarHBondContact O-OG 2.98Å
52T95.6Very high93.7Very high3 Ų338.4 Ų38.42%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-103.7-33.6-178.455.80000112.6T139 K141 V164 S166 Y168T52-T139 PolarHBondContact N-O 3.49Å; T52-T139 PolarHBondContact OG1-O 3.36Å; T52-T139 VanDerWaalsContact OG1-O 3.13Å; T52-K141 HydrophobicContact CG2-CB 3.93Å; T52-K141 HydrophobicContact CG2-CD 3.86Å; T52-K141 HydrophobicContact CG2-CG 3.68Å; T52-V164 PolarHBondContact O-N 2.86Å; T52-S166 WeakPolarHBondContact CA-OG 3.31Å; T52-Y168 WeakPolarHBondContact CG2-OH 3.44Å
53N95.7Very high93.5Very high21 Ų2145.9 Ų45.911%0.11227%0.269CS..EExtended strand (participates in β ladder)trans-155.3160.3178.164.183.2000110.9I51 T139 M157 V161 L162I51-N53 WeakPolarHBondContact CG2-O 3.4Å; N53-T139 WeakPolarHBondContact ND2-CB 3.47Å; N53-T139 PolarHBondContact O-N 2.87Å; N53-T139 PolarHBondContact OD1-OG1 2.99Å; N53-M157 HydrophobicContact CB-CE 4.1Å; N53-V161 HydrophobicContact CB-CG1 3.72Å; N53-V161 WeakPolarHBondContact OD1-CG1 3.47Å; N53-L162 CarbonylContact C-O 3.56Å; N53-L162 WeakPolarHBondContact CA-O 3.22Å; N53-L162 WeakPolarHBondContact CB-O 3.31Å
54I96.3Very high93.5Very high0 Ų044.5 Ų44.50%026%0.264CS..EExtended strand (participates in β ladder)trans-134.6134.2-175.9-59.1-177.4000107.8I51 I56 I77 I80 R137 L138 L162 V164I51-I54 HydrophobicContact CG2-CD1 4.36Å; I51-I54 HydrophobicContact CG2-CG1 3.82Å; I54-I56 HydrophobicContact CG2-CD1 4.12Å; I54-I56 HydrophobicContact CG2-CG1 3.67Å; I54-I77 HydrophobicContact CD1-CG1 4.2Å; I54-I80 HydrophobicContact CD1-CB 4.07Å; I54-I80 HydrophobicContact CD1-CD1 3.81Å; I54-I80 HydrophobicContact CD1-CG2 3.62Å; I54-R137 CarbonylContact C-O 3.52Å; I54-R137 WeakPolarHBondContact CA-O 3.4Å; I54-L138 HydrophobicContact CB-CD2 4.14Å; I54-L138 HydrophobicContact CD1-CD2 4.04Å; I54-L138 HydrophobicContact CG1-CD2 3.73Å; I54-L138 HydrophobicContact CG2-CD2 3.68Å; I54-L162 PolarHBondContact N-O 3.12Å; I54-L162 WeakPolarHBondContact O-CB 3.17Å; I54-L162 PolarHBondContact O-N 2.92Å; I54-V164 HydrophobicContact CD1-CG1 3.87Å; I54-V164 HydrophobicContact CD1-CG2 4.47Å; I54-V164 HydrophobicContact CG1-CG1 4Å; I54-V164 HydrophobicContact CG1-CG2 4.35Å
55Q96.2Very high93.7Very high48 Ų4847 Ų4722%0.22428%0.277CS..EExtended strand (participates in β ladder)trans-120.1117171.7-175.2173.722.500108.7A136 R137 V161Q55-A136 CarbonylContact O-C 3.5Å; Q55-A136 VanDerWaalsContact O-CA 3.26Å; Q55-A136 WeakPolarHBondContact O-CA 3.34Å; Q55-R137 PolarHBondContact N-O 2.86Å; Q55-R137 PolarHBondContact O-N 3.32Å; Q55-R137 VanDerWaalsContact OE1-CZ 3.25Å; Q55-V161 HydrophobicContact CB-CG2 4.22Å; Q55-V161 HydrophobicContact CG-CG2 4.24Å
56I96.3Very high93.8Very high4 Ų446.2 Ų46.22%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-111.5136.3179-50.3178000108.6I54 G58 V59 I66 V73 I76 F134 A136I54-I56 HydrophobicContact CG2-CD1 4.12Å; I54-I56 HydrophobicContact CG2-CG1 3.67Å; I56-G58 PolarHBondContact O-N 3.06Å; I56-V59 HydrophobicContact CB-CB 3.92Å; I56-V59 HydrophobicContact CB-CG2 3.9Å; I56-V59 HydrophobicContact CG2-CB 4.39Å; I56-V59 HydrophobicContact CG2-CG2 3.84Å; I56-V59 PolarHBondContact O-N 3.25Å; I56-I66 HydrophobicContact CD1-CD1 4.29Å; I56-I66 HydrophobicContact CG2-CD1 3.69Å; I56-I66 HydrophobicContact CG2-CG1 4.47Å; I56-V73 HydrophobicContact CD1-CG1 4.16Å; I56-V73 HydrophobicContact CD1-CG2 4.37Å; I56-I76 HydrophobicContact CD1-CG2 4.25Å; I56-F134 HydrophobicContact CD1-CE2 4.31Å; I56-F134 HydrophobicContact CG2-CD2 4.4Å; I56-F134 HydrophobicContact CG2-CE2 3.84Å; I56-A136 HydrophobicContact CB-CB 4.48Å; I56-A136 HydrophobicContact CG1-CB 4Å
57D94.8Very high93.9Very high85 Ų8555.8 Ų55.846%0.45531%0.311SS..THydrogen-bonded Turntrans-63.9132.7-178.5-80.97.4000112.3V59 H135D57-V59 PolarHBondContact O-N 3.22Å; D57-H135 HydrophobicContact CB-CB 4.34Å; D57-H135 PolarHBondContact N-O 2.9Å; D57-H135 IonicContact OD1-ND1 3.64Å; D57-H135 PolarHBondContact OD1-ND1 3.16Å; D57-H135 IonicContact OD2-CE1 3.86Å; D57-H135 IonicContact OD2-CG 2.73Å; D57-H135 IonicContact OD2-ND1 3.09Å; D57-H135 PolarHBondContact OD2-ND1 3.28Å
58G91.8Very high94Very high87 Ų8754.4 Ų54.490%0.89731%0.307SS*.THydrogen-bonded Turntrans74.7-1.1-178.100000115.1I56I56-G58 PolarHBondContact O-N 3.06Å
59V93.5Very high94.2Very high6 Ų654.3 Ų54.34%0.03630%0.302CS..  trans-99125.7178.7168.30000110.1I56 D57 H61 S64 I66 V73 G160 L162I56-V59 HydrophobicContact CB-CB 3.92Å; I56-V59 HydrophobicContact CB-CG2 3.9Å; I56-V59 HydrophobicContact CG2-CB 4.39Å; I56-V59 HydrophobicContact CG2-CG2 3.84Å; I56-V59 PolarHBondContact O-N 3.25Å; D57-V59 PolarHBondContact O-N 3.22Å; V59-H61 WeakPolarHBondContact CG1-O 3.42Å; V59-S64 WeakPolarHBondContact CG1-OG 3.37Å; V59-I66 HydrophobicContact CG2-CD1 4.24Å; V59-I66 HydrophobicContact CG2-CG1 3.74Å; V59-V73 HydrophobicContact CG1-CG1 4.18Å; V59-V73 HydrophobicContact CG1-CG2 3.94Å; V59-V73 HydrophobicContact CG2-CG2 3.76Å; V59-G160 WeakPolarHBondContact O-CA 3.44Å; V59-L162 HydrophobicContact CG1-CD1 3.85Å
60L91.6Very high94.2Very high122 Ų12263.2 Ų63.264%0.63933%0.333SS*.  trans-102.7-23.9178.1-62.5176.9000113.3I159L60-I159 HydrophobicContact CD2-CG2 3.86Å
61H90.8Very high94.4Very high92 Ų9263.5 Ų63.543%0.42633%0.334SS..SBendtrans-152.2160.6-176.862.170.5000111.2V59 F63 S64V59-H61 WeakPolarHBondContact CG1-O 3.42Å; H61-F63 VanDerWaalsContact C-N 3.32Å; H61-F63 PolarHBondContact ND1-N 3.03Å; H61-F63 PolarHBondContact O-N 2.95Å; H61-S64 PolarHBondContact ND1-N 3.16Å; H61-S64 WeakPolarHBondContact O-CB 3.48Å; H61-S64 PolarHBondContact O-N 3.32Å; H61-S64 PolarHBondContact O-OG 3.5Å
62E88Confident94.4Very high80 Ų8065.5 Ų65.537%0.37434%0.344SS..THydrogen-bonded Turntrans-66.4-25.5-173.862.3-85.5-164.300114.4S64 V73 V74 I77 L162E62-S64 VanDerWaalsContact C-N 3.25Å; E62-S64 PolarHBondContact O-N 3.2Å; E62-V73 WeakPolarHBondContact O-CB 3.14Å; E62-V74 WeakPolarHBondContact O-CG2 3.41Å; E62-V74 PolarHBondContact O-N 3.01Å; E62-I77 HydrophobicContact CB-CD1 3.97Å; E62-L162 HydrophobicContact CB-CD1 4.42Å
63F91.9Very high94.4Very high156 Ų15665.3 Ų65.368%0.68434%0.344SS*.THydrogen-bonded Turntrans-86.317.2179.4-52.6-69.6000114.8H61 V74H61-F63 VanDerWaalsContact C-N 3.32Å; H61-F63 PolarHBondContact ND1-N 3.03Å; H61-F63 PolarHBondContact O-N 2.95Å; F63-V74 HydrophobicContact CD1-CG2 4.21Å
64S93.4Very high94.4Very high21 Ų2167.6 Ų67.615%0.14736%0.358CS..  trans-94.1165.6-178.463.50000112V59 H61 E62 V73V59-S64 WeakPolarHBondContact CG1-OG 3.37Å; H61-S64 PolarHBondContact ND1-N 3.16Å; H61-S64 WeakPolarHBondContact O-CB 3.48Å; H61-S64 PolarHBondContact O-N 3.32Å; H61-S64 PolarHBondContact O-OG 3.5Å; E62-S64 VanDerWaalsContact C-N 3.25Å; E62-S64 PolarHBondContact O-N 3.2Å; S64-V73 WeakPolarHBondContact O-CG2 3.43Å; S64-V73 PolarHBondContact O-N 2.83Å; S64-V73 VanDerWaalsContact O-N 3.16Å; S64-V73 WeakPolarHBondContact OG-CG2 3.47Å
65T94.7Very high94.4Very high115 Ų11571.9 Ų71.971%0.70638%0.378SS*.BIsolated β-bridgetrans-114.2151.8171.855.90000109D72T65-D72 HydrophobicContact CG2-CB 4.15Å
66I94.6Very high94.4Very high22 Ų2269.6 Ų69.611%0.11337%0.367CS..  trans-106.6124.4179.2-52.6165.1000107.8I56 V59 G68 V69 V73 I76 F134I56-I66 HydrophobicContact CD1-CD1 4.29Å; I56-I66 HydrophobicContact CG2-CD1 3.69Å; I56-I66 HydrophobicContact CG2-CG1 4.47Å; V59-I66 HydrophobicContact CG2-CD1 4.24Å; V59-I66 HydrophobicContact CG2-CG1 3.74Å; I66-G68 PolarHBondContact O-N 2.95Å; I66-G68 VanDerWaalsContact O-N 3.16Å; I66-V69 HydrophobicContact CB-CB 3.97Å; I66-V69 HydrophobicContact CB-CG2 3.83Å; I66-V69 HydrophobicContact CD1-CG2 4.49Å; I66-V69 HydrophobicContact CG2-CB 4.29Å; I66-V69 HydrophobicContact CG2-CG2 3.6Å; I66-V69 PolarHBondContact O-N 3.44Å; I66-V73 HydrophobicContact CD1-CG2 4.05Å; I66-V73 HydrophobicContact CG1-CG2 3.93Å; I66-I76 HydrophobicContact CD1-CD1 3.66Å; I66-F134 HydrophobicContact CD1-CD2 3.87Å; I66-F134 HydrophobicContact CD1-CE2 3.61Å
67K93.9Very high94.4Very high201 Ų20170.2 Ų70.287%0.87437%0.371SS*.THydrogen-bonded Turntrans-61121.5-178.1-176.1-176.8177.2-174.10110.3V69K67-V69 VanDerWaalsContact C-N 3.33Å
68G95.2Very high94.4Very high30 Ų3071.8 Ų71.831%0.30938%0.378SS..THydrogen-bonded Turntrans84.43.217900000114.5I66 A129I66-G68 PolarHBondContact O-N 2.95Å; I66-G68 VanDerWaalsContact O-N 3.16Å; G68-A129 VanDerWaalsContact O-CB 3.26Å; G68-A129 WeakPolarHBondContact O-CB 3.3Å; G68-A129 PolarHBondContact O-N 2.99Å
69V96.9Very high94.6Very high17 Ų1769.9 Ų69.910%0.10335%0.347CS..BIsolated β-bridgetrans-101.9138.9166.6-175.80000108.3I66 K67 I76 C126 T127 V128 F134I66-V69 HydrophobicContact CB-CB 3.97Å; I66-V69 HydrophobicContact CB-CG2 3.83Å; I66-V69 HydrophobicContact CD1-CG2 4.49Å; I66-V69 HydrophobicContact CG2-CB 4.29Å; I66-V69 HydrophobicContact CG2-CG2 3.6Å; I66-V69 PolarHBondContact O-N 3.44Å; K67-V69 VanDerWaalsContact C-N 3.33Å; V69-I76 HydrophobicContact CG1-CD1 4.13Å; V69-C126 HydrophobicContact CG1-CB 3.82Å; V69-T127 WeakPolarHBondContact CA-O 3.46Å; V69-V128 HydrophobicContact CG2-CG2 4.46Å; V69-F134 HydrophobicContact CG2-CB 4.22Å; V69-F134 HydrophobicContact CG2-CD2 4.07Å
70R96.5Very high94.7Very high199 Ų19969.7 Ų69.775%0.75135%0.346SS*.SBendtrans-70.5-41.5-177.4176.9-174.7176.6-164.6-2.8112.3T127R70-T127 PolarHBondContact N-O 2.73Å
71E97.5Very high94.8Very high13 Ų1366.9 Ų66.96%0.06133%0.329CS..SBendtrans-82.7149.1-179.2-69.265.3-148.700111.6Q75 I76 Y124 C126 T127E71-Q75 HydrophobicContact CB-CB 4.06Å; E71-Q75 HydrophobicContact CG-CB 4.3Å; E71-I76 HydrophobicContact CB-CD1 4.37Å; E71-I76 HydrophobicContact CB-CG1 3.88Å; E71-Y124 HydrophobicContact CG-CE1 4.35Å; E71-Y124 PolarHBondContact OE1-OH 2.78Å; E71-Y124 PolarHBondContact OE2-OH 2.85Å; E71-C126 HydrophobicContact CB-CB 4.31Å; E71-C126 HydrophobicContact CG-CB 4.35Å; E71-C126 WeakPolarHBondContact OE2-CA 3.37Å; E71-C126 VanDerWaalsContact OE2-CB 3.27Å; E71-C126 WeakPolarHBondContact OE2-CB 3.37Å; E71-T127 PolarHBondContact OE2-N 2.84Å
72D96.3Very high94.8Very high53 Ų5364.3 Ų64.328%0.28333%0.327SS..BIsolated β-bridgetrans-80.3169.6166.664.140.8000111.5T65 V74 Q75 I76T65-D72 HydrophobicContact CG2-CB 4.15Å; D72-V74 VanDerWaalsContact C-N 3.27Å; D72-V74 PolarHBondContact O-N 3.44Å; D72-V74 WeakPolarHBondContact OD1-CB 3.45Å; D72-V74 PolarHBondContact OD1-N 3.44Å; D72-V74 VanDerWaalsContact OD1-N 3.13Å; D72-Q75 PolarHBondContact O-N 3.27Å; D72-Q75 WeakPolarHBondContact OD1-CB 3.4Å; D72-Q75 VanDerWaalsContact OD1-CG 3.31Å; D72-Q75 WeakPolarHBondContact OD1-CG 3.27Å; D72-Q75 PolarHBondContact OD1-N 3.01Å; D72-I76 VanDerWaalsContact O-CG1 3.32Å; D72-I76 WeakPolarHBondContact O-CG1 3.32Å; D72-I76 PolarHBondContact O-N 2.99Å
73V96.1Very high95.1Very high0 Ų061.3 Ų61.30%031%0.314CS..Hα-helixtrans-64.6-32.1-177172.90000112I56 V59 E62 S64 I66 I76 I77 L162I56-V73 HydrophobicContact CD1-CG1 4.16Å; I56-V73 HydrophobicContact CD1-CG2 4.37Å; V59-V73 HydrophobicContact CG1-CG1 4.18Å; V59-V73 HydrophobicContact CG1-CG2 3.94Å; V59-V73 HydrophobicContact CG2-CG2 3.76Å; E62-V73 WeakPolarHBondContact O-CB 3.14Å; S64-V73 WeakPolarHBondContact O-CG2 3.43Å; S64-V73 PolarHBondContact O-N 2.83Å; S64-V73 VanDerWaalsContact O-N 3.16Å; S64-V73 WeakPolarHBondContact OG-CG2 3.47Å; I66-V73 HydrophobicContact CD1-CG2 4.05Å; I66-V73 HydrophobicContact CG1-CG2 3.93Å; V73-I76 PolarHBondContact O-N 2.9Å; V73-I77 HydrophobicContact CG1-CD1 3.82Å; V73-I77 HydrophobicContact CG1-CG1 4.33Å; V73-I77 WeakPolarHBondContact O-CB 3.48Å; V73-I77 VanDerWaalsContact O-CG1 3.24Å; V73-I77 WeakPolarHBondContact O-CG1 3.35Å; V73-I77 PolarHBondContact O-N 3.43Å; V73-L162 HydrophobicContact CG1-CD1 3.66Å
74V95.8Very high95.2Very high68 Ų6854 Ų5441%0.41228%0.282SS..Hα-helixtrans-64.6-45.2177-1800000111E62 F63 D72 I77 L78E62-V74 WeakPolarHBondContact O-CG2 3.41Å; E62-V74 PolarHBondContact O-N 3.01Å; F63-V74 HydrophobicContact CD1-CG2 4.21Å; D72-V74 VanDerWaalsContact C-N 3.27Å; D72-V74 PolarHBondContact O-N 3.44Å; D72-V74 WeakPolarHBondContact OD1-CB 3.45Å; D72-V74 PolarHBondContact OD1-N 3.44Å; D72-V74 VanDerWaalsContact OD1-N 3.13Å; V74-I77 PolarHBondContact O-N 2.8Å; V74-L78 WeakPolarHBondContact O-CB 3.3Å; V74-L78 PolarHBondContact O-N 2.73Å
75Q96.6Very high95.2Very high91 Ų9153.2 Ų53.243%0.42528%0.276SS..Hα-helixtrans-63.7-42.3176.3-73.11742.300111.4E71 D72 L78 N79E71-Q75 HydrophobicContact CB-CB 4.06Å; E71-Q75 HydrophobicContact CG-CB 4.3Å; D72-Q75 PolarHBondContact O-N 3.27Å; D72-Q75 WeakPolarHBondContact OD1-CB 3.4Å; D72-Q75 VanDerWaalsContact OD1-CG 3.31Å; D72-Q75 WeakPolarHBondContact OD1-CG 3.27Å; D72-Q75 PolarHBondContact OD1-N 3.01Å; Q75-L78 PolarHBondContact O-N 3.31Å; Q75-N79 WeakPolarHBondContact O-CB 3.46Å; Q75-N79 PolarHBondContact O-N 2.88Å; Q75-N79 PolarHBondContact O-ND2 3.26Å
76I96.6Very high95.1Very high0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-60.9-47.1176-68.1167000110.5I56 I66 V69 E71 D72 V73 L78 N79 I80 I125 C126 F134I56-I76 HydrophobicContact CD1-CG2 4.25Å; I66-I76 HydrophobicContact CD1-CD1 3.66Å; V69-I76 HydrophobicContact CG1-CD1 4.13Å; E71-I76 HydrophobicContact CB-CD1 4.37Å; E71-I76 HydrophobicContact CB-CG1 3.88Å; D72-I76 VanDerWaalsContact O-CG1 3.32Å; D72-I76 WeakPolarHBondContact O-CG1 3.32Å; D72-I76 PolarHBondContact O-N 2.99Å; V73-I76 PolarHBondContact O-N 2.9Å; I76-L78 VanDerWaalsContact C-N 3.31Å; I76-L78 PolarHBondContact O-N 3.2Å; I76-N79 PolarHBondContact O-N 3.33Å; I76-I80 HydrophobicContact CG2-CD1 3.55Å; I76-I80 HydrophobicContact CG2-CG1 4.33Å; I76-I80 WeakPolarHBondContact O-CB 3.41Å; I76-I80 VanDerWaalsContact O-CG1 3.26Å; I76-I80 WeakPolarHBondContact O-CG1 3.38Å; I76-I80 PolarHBondContact O-N 3.39Å; I76-I125 HydrophobicContact CG2-CG2 4.35Å; I76-C126 HydrophobicContact CD1-CB 4.38Å; I76-C126 HydrophobicContact CG1-CB 4.11Å; I76-F134 HydrophobicContact CD1-CE2 3.95Å; I76-F134 HydrophobicContact CD1-CZ 4.36Å; I76-F134 HydrophobicContact CG2-CZ 4.07Å
77I95.8Very high95Very high17 Ų1751.4 Ų51.49%0.08726%0.259CS..Hα-helixtrans-57.9-44.9175.5-71.6165.2000110.7I54 E62 V73 V74 I80 K81 L162 V164I54-I77 HydrophobicContact CD1-CG1 4.2Å; E62-I77 HydrophobicContact CB-CD1 3.97Å; V73-I77 HydrophobicContact CG1-CD1 3.82Å; V73-I77 HydrophobicContact CG1-CG1 4.33Å; V73-I77 WeakPolarHBondContact O-CB 3.48Å; V73-I77 VanDerWaalsContact O-CG1 3.24Å; V73-I77 WeakPolarHBondContact O-CG1 3.35Å; V73-I77 PolarHBondContact O-N 3.43Å; V74-I77 PolarHBondContact O-N 2.8Å; I77-I80 PolarHBondContact O-N 2.61Å; I77-K81 HydrophobicContact CG2-CD 4.45Å; I77-K81 WeakPolarHBondContact O-CG 3.44Å; I77-K81 PolarHBondContact O-N 2.88Å; I77-L162 HydrophobicContact CD1-CD1 4.17Å; I77-V164 HydrophobicContact CB-CG1 4.45Å; I77-V164 HydrophobicContact CD1-CG1 4.34Å; I77-V164 HydrophobicContact CG1-CG1 4.08Å; I77-V164 HydrophobicContact CG2-CB 4.18Å; I77-V164 HydrophobicContact CG2-CG1 3.6Å
78L95.2Very high95Very high117 Ų11747.6 Ų47.661%0.61324%0.243SC*.Hα-helixtrans-63.5-41.9179.3-176.263.9000112.2V74 Q75 I76 K81V74-L78 WeakPolarHBondContact O-CB 3.3Å; V74-L78 PolarHBondContact O-N 2.73Å; Q75-L78 PolarHBondContact O-N 3.31Å; I76-L78 VanDerWaalsContact C-N 3.31Å; I76-L78 PolarHBondContact O-N 3.2Å; L78-K81 PolarHBondContact O-N 3.2Å
79N96.7Very high94.7Very high47 Ų4747.3 Ų47.325%0.25124%0.237SC..Hα-helixtrans-66-44.7177.3-68-16.6000110.8Q75 I76 K81 G82 M123 I125Q75-N79 WeakPolarHBondContact O-CB 3.46Å; Q75-N79 PolarHBondContact O-N 2.88Å; Q75-N79 PolarHBondContact O-ND2 3.26Å; I76-N79 PolarHBondContact O-N 3.33Å; N79-K81 VanDerWaalsContact C-N 3.28Å; N79-K81 PolarHBondContact O-N 3.5Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 3.29Å; N79-M123 WeakPolarHBondContact O-CE 3.19Å; N79-I125 PolarHBondContact ND2-O 2.75Å
80I94.5Very high94.4Very high2 Ų255.3 Ų55.31%0.0127%0.273CS..Hα-helixtrans-62.9-33179.4-72.7172.4000112.1I51 I54 I76 I77 G82 L83 I125 L138I51-I80 HydrophobicContact CD1-CG2 3.23Å; I51-I80 HydrophobicContact CG1-CG2 4.5Å; I54-I80 HydrophobicContact CD1-CB 4.07Å; I54-I80 HydrophobicContact CD1-CD1 3.81Å; I54-I80 HydrophobicContact CD1-CG2 3.62Å; I76-I80 HydrophobicContact CG2-CD1 3.55Å; I76-I80 HydrophobicContact CG2-CG1 4.33Å; I76-I80 WeakPolarHBondContact O-CB 3.41Å; I76-I80 VanDerWaalsContact O-CG1 3.26Å; I76-I80 WeakPolarHBondContact O-CG1 3.38Å; I76-I80 PolarHBondContact O-N 3.39Å; I77-I80 PolarHBondContact O-N 2.61Å; I80-G82 PolarHBondContact O-N 2.9Å; I80-G82 VanDerWaalsContact O-N 3.14Å; I80-L83 HydrophobicContact CG2-CD1 4Å; I80-L83 WeakPolarHBondContact O-CB 3.35Å; I80-L83 VanDerWaalsContact O-CG 3.31Å; I80-L83 WeakPolarHBondContact O-CG 3.22Å; I80-L83 PolarHBondContact O-N 3.36Å; I80-L83 VanDerWaalsContact O-N 3.1Å; I80-I125 HydrophobicContact CD1-CG2 4.32Å; I80-I125 HydrophobicContact CG1-CG2 4.03Å; I80-L138 HydrophobicContact CD1-CD2 3.88Å; I80-L138 HydrophobicContact CG2-CD1 4.28Å; I80-L138 HydrophobicContact CG2-CD2 4.33Å
81K92.8Very high94.2Very high63 Ų6353 Ų5327%0.27427%0.271SS..THydrogen-bonded Turntrans-61.5-17.4171.8-75.9173.9176.9179.40113.8I77 L78 N79 L83 D165I77-K81 HydrophobicContact CG2-CD 4.45Å; I77-K81 WeakPolarHBondContact O-CG 3.44Å; I77-K81 PolarHBondContact O-N 2.88Å; L78-K81 PolarHBondContact O-N 3.2Å; N79-K81 VanDerWaalsContact C-N 3.28Å; N79-K81 PolarHBondContact O-N 3.5Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-D165 IonicContact NZ-OD2 3.91Å; K81-D165 PolarHBondContact NZ-OD2 2.92Å
82G91.9Very high94Very high38 Ų3857.2 Ų57.239%0.39229%0.291SS..THydrogen-bonded Turntrans-81.7-4175.300000114.8N79 I80 A84 N120N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 3.29Å; I80-G82 PolarHBondContact O-N 2.9Å; I80-G82 VanDerWaalsContact O-N 3.14Å; G82-A84 PolarHBondContact O-N 3.14Å; G82-N120 PolarHBondContact O-ND2 3.07Å
83L94.3Very high93.9Very high18 Ų1856.7 Ų56.79%0.09429%0.286CS..  trans-64.2125.5179.7-73.1171000111.2I51 I80 K81 L85 A107 I110 I118 M123 L138I51-L83 HydrophobicContact CD1-CD1 3.53Å; I80-L83 HydrophobicContact CG2-CD1 4Å; I80-L83 WeakPolarHBondContact O-CB 3.35Å; I80-L83 VanDerWaalsContact O-CG 3.31Å; I80-L83 WeakPolarHBondContact O-CG 3.22Å; I80-L83 PolarHBondContact O-N 3.36Å; I80-L83 VanDerWaalsContact O-N 3.1Å; K81-L83 VanDerWaalsContact C-N 3.32Å; L83-L85 HydrophobicContact CB-CD1 4.31Å; L83-L85 HydrophobicContact CB-CD2 4.16Å; L83-L85 HydrophobicContact CB-CG 3.96Å; L83-L85 PolarHBondContact O-N 2.9Å; L83-A107 HydrophobicContact CD2-CB 3.29Å; L83-I110 HydrophobicContact CD1-CD1 3.61Å; L83-I110 HydrophobicContact CD2-CD1 3.81Å; L83-I110 HydrophobicContact CG-CD1 4.4Å; L83-I118 HydrophobicContact CD2-CG2 4.35Å; L83-M123 HydrophobicContact CD2-CE 3.49Å; L83-M123 VanDerWaalsContact CD2-CE 3.49Å; L83-M123 HydrophobicContact CD2-SD 4.36Å; L83-M123 HydrophobicContact CG-CE 3.68Å; L83-L138 HydrophobicContact CD1-CD1 4.31Å
84A93.4Very high93.9Very high2 Ų260.7 Ų60.72%0.01731%0.31CS..  trans-89.9102.417000000108.2G82 L119 N120 D199G82-A84 PolarHBondContact O-N 3.14Å; A84-L119 HydrophobicContact CB-CB 4.06Å; A84-L119 HydrophobicContact CB-CD1 4.24Å; A84-L119 PolarHBondContact O-N 3.39Å; A84-N120 HydrophobicContact CB-CB 4.41Å; A84-N120 WeakPolarHBondContact CB-OD1 3.49Å; A84-N120 PolarHBondContact N-OD1 3.35Å; A84-D199 HydrophobicContact CB-CB 3.95Å
85L93.7Very high94Very high4 Ų457.5 Ų57.52%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-108.8138-173.3-62173.3000110.7A49 I51 L83 L95 V116 I118 V140A49-L85 HydrophobicContact CB-CB 4.25Å; I51-L85 HydrophobicContact CD1-CD1 4.15Å; I51-L85 HydrophobicContact CG1-CD1 3.8Å; L83-L85 HydrophobicContact CB-CD1 4.31Å; L83-L85 HydrophobicContact CB-CD2 4.16Å; L83-L85 HydrophobicContact CB-CG 3.96Å; L83-L85 PolarHBondContact O-N 2.9Å; L85-L95 HydrophobicContact CD2-CD1 4.37Å; L85-V116 HydrophobicContact CD2-CG1 4.4Å; L85-I118 HydrophobicContact CD2-CG1 3.76Å; L85-V140 HydrophobicContact CD1-CB 4.33Å; L85-V140 HydrophobicContact CD1-CG2 3.77Å
86K93.1Very high94Very high71 Ų7156.9 Ų56.931%0.30929%0.288SS..EExtended strand (participates in β ladder)trans-118.3118.6166.6-170.6168.1-172.3156.70108.7F88 V116 E117 L119 S201K86-F88 HydrophobicContact CD-CE1 4.02Å; K86-F88 HydrophobicContact CD-CZ 3.75Å; K86-F88 HydrophobicContact CG-CE1 4.11Å; K86-F88 HydrophobicContact CG-CE2 4.29Å; K86-F88 HydrophobicContact CG-CZ 3.85Å; K86-V116 WeakPolarHBondContact O-CA 3.24Å; K86-E117 HydrophobicContact CB-CB 4.29Å; K86-E117 PolarHBondContact N-O 3.1Å; K86-E117 PolarHBondContact O-N 2.91Å; K86-L119 HydrophobicContact CB-CD1 4.43Å; K86-S201 PolarHBondContact NZ-O 3.26Å
87L93.4Very high94.1Very high28 Ų2856.9 Ų56.915%0.14729%0.288CS..EExtended strand (participates in β ladder)trans-106.8126.7178.7-179.768.4000108.8A49 A89 K93 D115 V116 V140 P142A49-L87 HydrophobicContact CB-CB 3.54Å; L87-A89 HydrophobicContact CD1-CB 4.17Å; L87-A89 WeakPolarHBondContact CD2-O 3.47Å; L87-A89 HydrophobicContact CG-CB 4.46Å; L87-A89 WeakPolarHBondContact CG-O 3.27Å; L87-K93 HydrophobicContact CD1-CB 4.29Å; L87-K93 HydrophobicContact CD1-CG 3.73Å; L87-D115 CarbonylContact C-O 3.49Å; L87-D115 WeakPolarHBondContact CA-O 3.44Å; L87-V116 HydrophobicContact CD1-CG2 3.44Å; L87-V116 VanDerWaalsContact CD1-CG2 3.44Å; L87-V140 HydrophobicContact CD1-CG1 4.44Å; L87-P142 HydrophobicContact CD2-CB 4.09Å; L87-P142 VanDerWaalsContact CD2-CD 3.48Å; L87-P142 HydrophobicContact CD2-CG 4.06Å
88F92.4Very high94.1Very high122 Ų12260.1 Ų60.154%0.53531%0.306SS..  trans-97-4.8178.9-59.2-78000113K86 D115 E117K86-F88 HydrophobicContact CD-CE1 4.02Å; K86-F88 HydrophobicContact CD-CZ 3.75Å; K86-F88 HydrophobicContact CG-CE1 4.11Å; K86-F88 HydrophobicContact CG-CE2 4.29Å; K86-F88 HydrophobicContact CG-CZ 3.85Å; F88-D115 WeakPolarHBondContact CD2-O 3.19Å; F88-D115 PolarHBondContact N-O 2.84Å; F88-E117 HydrophobicContact CE2-CB 3.95Å
89A89.7Confident94.2Very high23 Ų2356.2 Ų56.219%0.1929%0.285CS..SBendtrans-99.9153.4175.300000112.3L87 E91 D115L87-A89 HydrophobicContact CD1-CB 4.17Å; L87-A89 WeakPolarHBondContact CD2-O 3.47Å; L87-A89 HydrophobicContact CG-CB 4.46Å; L87-A89 WeakPolarHBondContact CG-O 3.27Å; A89-E91 VanDerWaalsContact C-N 3.33Å; A89-D115 HydrophobicContact CB-CB 4.09Å
90E89.3Confident94.2Very high186 Ų18658.2 Ų58.287%0.86930%0.299SS*.SBendtrans-84.2-11.1172-63.3-172.4173.200112.9P142E90-P142 VanDerWaalsContact O-CG 3.27Å; E90-P142 WeakPolarHBondContact O-CG 3.27Å
91E92.4Very high94.2Very high150 Ų15058.6 Ų58.670%0.70130%0.304SS*.SBendtrans-101.6163.6-177.6-61.9-175.8174.700112A89A89-E91 VanDerWaalsContact C-N 3.33Å
92E93.7Very high94.3Very high101 Ų10160.2 Ų60.247%0.47232%0.321SS..  trans-67.3143173.466.6-176-139.500111.6T139 V140 K141E92-T139 HydrophobicContact CB-CG2 4.24Å; E92-V140 WeakPolarHBondContact CA-O 3.13Å; E92-K141 HydrophobicContact CB-CD 4.03Å; E92-K141 HydrophobicContact CB-CG 3.7Å; E92-K141 WeakPolarHBondContact OE2-CE 3.35Å; E92-K141 IonicContact OE2-NZ 3.95Å; E92-K141 PolarHBondContact OE2-NZ 2.88Å
93K95.7Very high94.5Very high43 Ų4359.8 Ų59.819%0.18731%0.313CS..EExtended strand (participates in β ladder)trans-123.4150.8175.6-65.4-63.4-166.5140.80110.8L87 D113 D115 V116 T139 V140L87-K93 HydrophobicContact CD1-CB 4.29Å; L87-K93 HydrophobicContact CD1-CG 3.73Å; K93-D113 VanDerWaalsContact CD-OD2 3.29Å; K93-D113 WeakPolarHBondContact CD-OD2 3.37Å; K93-D113 WeakPolarHBondContact CE-OD2 3.4Å; K93-D113 IonicContact NZ-OD2 3.77Å; K93-D113 PolarHBondContact NZ-OD2 3.33Å; K93-D115 VanDerWaalsContact CE-OD2 3.22Å; K93-D115 WeakPolarHBondContact CE-OD2 3.28Å; K93-D115 IonicContact NZ-OD2 2.75Å; K93-D115 PolarHBondContact NZ-OD2 3.32Å; K93-V116 HydrophobicContact CB-CG2 4.06Å; K93-V116 HydrophobicContact CG-CG2 4.22Å; K93-T139 CarbonylContact O-C 3.56Å; K93-T139 WeakPolarHBondContact O-CA 3.44Å; K93-V140 HydrophobicContact CB-CG1 3.72Å; K93-V140 PolarHBondContact N-O 3.34Å; K93-V140 WeakPolarHBondContact O-CG1 3.33Å; K93-V140 PolarHBondContact O-N 3.1Å
94T95.8Very high94.7Very high83 Ų8362.9 Ų62.951%0.50933%0.333SS..EExtended strand (participates in β ladder)trans-106.7125.3174.7-58.10000108.8R137 L138T94-R137 HydrophobicContact CG2-CB 4.07Å; T94-R137 HydrophobicContact CG2-CG 4.25Å; T94-L138 CarbonylContact C-O 3.58Å; T94-L138 WeakPolarHBondContact CA-O 3.5Å
95L96.9Very high94.9Very high1 Ų162.8 Ų62.81%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-101.9153.7171.6-38-178.4000108.3L85 I110 V112 V116 R137 L138 V140L85-L95 HydrophobicContact CD2-CD1 4.37Å; L95-I110 HydrophobicContact CB-CG2 3.71Å; L95-I110 HydrophobicContact CD1-CG2 4.23Å; L95-V112 HydrophobicContact CB-CG1 4.48Å; L95-V112 HydrophobicContact CD1-CG1 4.23Å; L95-V112 HydrophobicContact CD2-CB 4.27Å; L95-V112 HydrophobicContact CD2-CG1 3.92Å; L95-V112 HydrophobicContact CG-CG1 4.43Å; L95-V116 HydrophobicContact CD1-CG1 4.23Å; L95-V116 HydrophobicContact CD2-CB 4.06Å; L95-V116 HydrophobicContact CD2-CG1 3.86Å; L95-V116 HydrophobicContact CD2-CG2 3.92Å; L95-R137 CarbonylContact O-C 3.49Å; L95-R137 VanDerWaalsContact O-CA 3.3Å; L95-R137 WeakPolarHBondContact O-CA 3.49Å; L95-L138 HydrophobicContact CB-CB 4.2Å; L95-L138 PolarHBondContact N-O 3.09Å; L95-L138 PolarHBondContact O-N 3.25Å; L95-V140 HydrophobicContact CD1-CG1 4.4Å; L95-V140 HydrophobicContact CD2-CG1 4.02Å; L95-V140 HydrophobicContact CG-CG1 4.19Å
96E97.8Very high95.1Very high78 Ų7864.3 Ų64.336%0.36434%0.342SS..EExtended strand (participates in β ladder)trans-131.4141.7-176.3-171.9171.4-149.200110.4I111 H135 A136 R137E96-I111 HydrophobicContact CB-CB 4.34Å; E96-I111 PolarHBondContact N-O 2.76Å; E96-I111 WeakPolarHBondContact O-CA 2.86Å; E96-I111 WeakPolarHBondContact O-CB 3.48Å; E96-I111 PolarHBondContact O-N 2.92Å; E96-H135 IonicContact OE1-CE1 3.6Å; E96-H135 IonicContact OE1-NE2 3.32Å; E96-H135 PolarHBondContact OE1-NE2 3.48Å; E96-A136 CarbonylContact C-O 3.57Å; E96-A136 WeakPolarHBondContact CA-O 3.23Å; E96-R137 HydrophobicContact CG-CG 4.39Å
97I97.2Very high95.2Very high0 Ų060.9 Ų60.90%033%0.327CS..EExtended strand (participates in β ladder)trans-121.8120.8169.9-55.9177000105.4I99 V105 I110 I125 F134 H135 A136 L138I97-I99 HydrophobicContact CG2-CG1 4.16Å; I97-V105 HydrophobicContact CG2-CG1 3.87Å; I97-I110 HydrophobicContact CD1-CD1 4.32Å; I97-I110 HydrophobicContact CD1-CG1 3.86Å; I97-I110 HydrophobicContact CG1-CB 4.33Å; I97-I110 HydrophobicContact CG1-CG1 3.83Å; I97-I110 HydrophobicContact CG1-CG2 4.28Å; I97-I125 HydrophobicContact CD1-CD1 4.01Å; I97-F134 HydrophobicContact CB-CE1 4.3Å; I97-F134 HydrophobicContact CD1-CE1 4.17Å; I97-F134 HydrophobicContact CG2-CD1 3.79Å; I97-F134 HydrophobicContact CG2-CE1 3.91Å; I97-H135 CarbonylContact O-C 3.54Å; I97-H135 WeakPolarHBondContact O-CA 3.45Å; I97-H135 PolarHBondContact O-CD2 3.11Å; I97-H135 VanDerWaalsContact O-CD2 3.27Å; I97-A136 PolarHBondContact N-O 2.86Å; I97-A136 PolarHBondContact O-N 3.44Å; I97-L138 HydrophobicContact CD1-CD1 4.11Å
98D97.2Very high95.3Very high86 Ų8661.5 Ų61.546%0.4634%0.34SS..EExtended strand (participates in β ladder)trans-135.596.8173.4-172.86.7000109.1
99I97.2Very high95.5Very high35 Ų3558.7 Ų58.718%0.17933%0.331CS..EExtended strand (participates in β ladder)trans-130128.9-175.9-61.5-67.7000110.4I97 A103 V105 D109 T133 F134I97-I99 HydrophobicContact CG2-CG1 4.16Å; I99-A103 HydrophobicContact CG2-CB 3.57Å; I99-V105 HydrophobicContact CB-CG2 4.02Å; I99-V105 HydrophobicContact CG1-CG2 4.23Å; I99-V105 HydrophobicContact CG2-CG2 3.95Å; I99-D109 HydrophobicContact CD1-CB 4.16Å; I99-D109 HydrophobicContact CG1-CB 4.36Å; I99-T133 WeakPolarHBondContact O-CA 3.36Å; I99-F134 PolarHBondContact N-O 2.74Å; I99-F134 PolarHBondContact O-N 3.34Å
100T96.4Very high95.9Very high88 Ų8858.1 Ų58.154%0.5432%0.324SS..EExtended strand (participates in β ladder)trans-102.6129.5170.6-61.80000110.1A132 T133T100-A132 WeakPolarHBondContact CA-O 3.41Å; T100-T133 PolarHBondContact OG1-OG1 2.75Å
101G93.3Very high96.3Very high11 Ų1153.6 Ų53.611%0.11331%0.305CS..BIsolated β-bridgetrans-79.6170.3-17600000114.7A129 G131 A132G101-A129 CarbonylContact C-O 3.54Å; G101-A129 WeakPolarHBondContact CA-O 3.5Å; G101-G131 PolarHBondContact O-N 3.31Å; G101-A132 PolarHBondContact N-O 2.96Å
102P96.1Very high96.4Very high97 Ų9749.1 Ų49.163%0.6329%0.288SS*.SBendcis-80.8122.212.730.8-31.8000111.8V128 E130P102-V128 WeakPolarHBondContact CA-O 3.5Å; P102-E130 HydrophobicContact CB-CB 4.19Å; P102-E130 HydrophobicContact CG-CB 4.17Å
103A96.5Very high96.3Very high29 Ų2947 Ų4724%0.2428%0.28CS..EExtended strand (participates in β ladder)trans-151.8145.6-175.900000111.6I99 V128I99-A103 HydrophobicContact CG2-CB 3.57Å; A103-V128 PolarHBondContact N-O 3.2Å; A103-V128 PolarHBondContact O-N 3.32Å
104T97.2Very high96.1Very high83 Ų8350.3 Ų50.351%0.50931%0.308SS..EExtended strand (participates in β ladder)trans-95.8114.4164.5-67.40000107.6T106 Y124T104-T106 HydrophobicContact CG2-CG2 4.4Å; T104-Y124 HydrophobicContact CG2-CD2 3.66Å; T104-Y124 HydrophobicContact CG2-CE2 3.67Å
105V97.5Very high96.1Very high0 Ų048.8 Ų48.80%030%0.297CS..EExtended strand (participates in β ladder)trans-84.1124.9-179.1-176.20000108.8I97 I99 D109 I125 C126 V128I97-V105 HydrophobicContact CG2-CG1 3.87Å; I99-V105 HydrophobicContact CB-CG2 4.02Å; I99-V105 HydrophobicContact CG1-CG2 4.23Å; I99-V105 HydrophobicContact CG2-CG2 3.95Å; V105-D109 HydrophobicContact CG1-CB 4.42Å; V105-I125 HydrophobicContact CG1-CB 4.28Å; V105-I125 HydrophobicContact CG1-CD1 4.41Å; V105-I125 PolarHBondContact O-N 3.42Å; V105-C126 PolarHBondContact N-O 3.41Å; V105-C126 PolarHBondContact O-N 3.49Å; V105-V128 HydrophobicContact CG2-CG2 3.72Å
106T97.6Very high96Very high35 Ų3549.1 Ų49.122%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-116.9168.1176.564.70000110.6T104 G108 D109 K121 M123T104-T106 HydrophobicContact CG2-CG2 4.4Å; T106-G108 PolarHBondContact O-N 3.14Å; T106-D109 PolarHBondContact N-OD2 2.88Å; T106-D109 WeakPolarHBondContact O-CB 3.33Å; T106-D109 PolarHBondContact O-N 3.32Å; T106-D109 PolarHBondContact OG1-OD2 3.32Å; T106-K121 WeakPolarHBondContact CB-O 3.39Å; T106-K121 PolarHBondContact OG1-O 3.32Å; T106-M123 CarbonylContact C-O 3.54Å; T106-M123 WeakPolarHBondContact CA-O 3.32Å
107A96.3Very high95.8Very high0 Ų049 Ų490%030%0.298CS..G310 helixtrans-58.4-26.217400000113.1L83 D109 I110 I118 N120 K121 M123L83-A107 HydrophobicContact CD2-CB 3.29Å; A107-D109 VanDerWaalsContact C-N 3.26Å; A107-D109 PolarHBondContact O-N 2.86Å; A107-I110 HydrophobicContact CB-CD1 4.47Å; A107-I110 WeakPolarHBondContact O-CB 3.35Å; A107-I110 WeakPolarHBondContact O-CG1 3.31Å; A107-I110 PolarHBondContact O-N 3.07Å; A107-I118 HydrophobicContact CB-CG2 3.83Å; A107-I118 VanDerWaalsContact O-CD1 3.27Å; A107-I118 WeakPolarHBondContact O-CD1 3.3Å; A107-N120 VanDerWaalsContact CB-O 3.31Å; A107-N120 WeakPolarHBondContact CB-O 3.39Å; A107-K121 PolarHBondContact N-O 3.03Å; A107-M123 HydrophobicContact CB-CB 4Å; A107-M123 HydrophobicContact CB-CE 4.42Å; A107-M123 PolarHBondContact N-O 3.5Å
108G96.3Very high95.7Very high41 Ų4149.4 Ų49.442%0.42330%0.301SS..G310 helixtrans-70.5-18.3175.700000114.4T106 I110 K121T106-G108 PolarHBondContact O-N 3.14Å; G108-I110 VanDerWaalsContact C-N 3.32Å; G108-K121 PolarHBondContact N-O 3.45Å
109D96.6Very high95.5Very high63 Ų6346.8 Ų46.834%0.33729%0.286SS..G310 helixtrans-87-4.8178-57.2-59000112.6I99 V105 T106 A107 I111I99-D109 HydrophobicContact CD1-CB 4.16Å; I99-D109 HydrophobicContact CG1-CB 4.36Å; V105-D109 HydrophobicContact CG1-CB 4.42Å; T106-D109 PolarHBondContact N-OD2 2.88Å; T106-D109 WeakPolarHBondContact O-CB 3.33Å; T106-D109 PolarHBondContact O-N 3.32Å; T106-D109 PolarHBondContact OG1-OD2 3.32Å; A107-D109 VanDerWaalsContact C-N 3.26Å; A107-D109 PolarHBondContact O-N 2.86Å; D109-I111 PolarHBondContact O-N 3.27Å
110I97.2Very high95.4Very high10 Ų1046.6 Ų46.65%0.05129%0.285CS..SBendtrans-71.3125176-55177.1000108.8L83 L95 I97 A107 G108 V112 I118 I125 L138L83-I110 HydrophobicContact CD1-CD1 3.61Å; L83-I110 HydrophobicContact CD2-CD1 3.81Å; L83-I110 HydrophobicContact CG-CD1 4.4Å; L95-I110 HydrophobicContact CB-CG2 3.71Å; L95-I110 HydrophobicContact CD1-CG2 4.23Å; I97-I110 HydrophobicContact CD1-CD1 4.32Å; I97-I110 HydrophobicContact CD1-CG1 3.86Å; I97-I110 HydrophobicContact CG1-CB 4.33Å; I97-I110 HydrophobicContact CG1-CG1 3.83Å; I97-I110 HydrophobicContact CG1-CG2 4.28Å; A107-I110 HydrophobicContact CB-CD1 4.47Å; A107-I110 WeakPolarHBondContact O-CB 3.35Å; A107-I110 WeakPolarHBondContact O-CG1 3.31Å; A107-I110 PolarHBondContact O-N 3.07Å; G108-I110 VanDerWaalsContact C-N 3.32Å; I110-V112 HydrophobicContact CB-CG1 4.43Å; I110-V112 HydrophobicContact CG2-CG1 3.84Å; I110-V112 PolarHBondContact O-N 3.1Å; I110-I118 HydrophobicContact CB-CD1 3.55Å; I110-I118 HydrophobicContact CD1-CD1 3.85Å; I110-I118 HydrophobicContact CG1-CD1 4.14Å; I110-I118 HydrophobicContact CG2-CD1 3.93Å; I110-I125 HydrophobicContact CD1-CD1 3.83Å; I110-I125 HydrophobicContact CG1-CD1 4.07Å; I110-L138 HydrophobicContact CD1-CD1 4.2Å
111I97.1Very high95.3Very high92 Ų9248.5 Ų48.547%0.47229%0.286SS..BIsolated β-bridgetrans-76.3118.1172.6-53.8170.6000107.7E96 D109E96-I111 HydrophobicContact CB-CB 4.34Å; E96-I111 PolarHBondContact N-O 2.76Å; E96-I111 WeakPolarHBondContact O-CA 2.86Å; E96-I111 WeakPolarHBondContact O-CB 3.48Å; E96-I111 PolarHBondContact O-N 2.92Å; D109-I111 PolarHBondContact O-N 3.27Å
112V95.2Very high95.5Very high55 Ų5554.6 Ų54.633%0.33332%0.316SS..  trans-126156.2-179.2-570000110.3L95 I110 V116 I118L95-V112 HydrophobicContact CB-CG1 4.48Å; L95-V112 HydrophobicContact CD1-CG1 4.23Å; L95-V112 HydrophobicContact CD2-CB 4.27Å; L95-V112 HydrophobicContact CD2-CG1 3.92Å; L95-V112 HydrophobicContact CG-CG1 4.43Å; I110-V112 HydrophobicContact CB-CG1 4.43Å; I110-V112 HydrophobicContact CG2-CG1 3.84Å; I110-V112 PolarHBondContact O-N 3.1Å; V112-V116 HydrophobicContact CB-CB 4.18Å; V112-V116 HydrophobicContact CB-CG1 4.33Å; V112-V116 HydrophobicContact CG1-CG1 4.19Å; V112-V116 WeakPolarHBondContact CG2-O 3.42Å; V112-I118 HydrophobicContact CG1-CD1 3.55Å; V112-I118 HydrophobicContact CG1-CG1 4.07Å
113D91.5Very high95.5Very high58 Ų5851.6 Ų51.631%0.3129%0.294SS..  trans-84.9179.3169.969.111.8000111.5K93 D115 V116K93-D113 VanDerWaalsContact CD-OD2 3.29Å; K93-D113 WeakPolarHBondContact CD-OD2 3.37Å; K93-D113 WeakPolarHBondContact CE-OD2 3.4Å; K93-D113 IonicContact NZ-OD2 3.77Å; K93-D113 PolarHBondContact NZ-OD2 3.33Å; D113-D115 PolarHBondContact O-N 2.93Å; D113-D115 WeakPolarHBondContact OD1-CA 3.47Å; D113-D115 WeakPolarHBondContact OD1-CB 3.42Å; D113-D115 PolarHBondContact OD1-N 3.34Å; D113-V116 PolarHBondContact O-N 3.12Å; D113-V116 PolarHBondContact OD1-N 3.04Å
114S92.2Very high95.5Very high112 Ų11253.9 Ų53.978%0.78330%0.297SS*.THydrogen-bonded Turntrans-66.4-14.717954.50000114.2V116S114-V116 VanDerWaalsContact C-N 3.35Å
115D94.2Very high95.5Very high51 Ų5150 Ų5027%0.27327%0.273SS..THydrogen-bonded Turntrans-90.7-4.5-176.5-59.1-26.7000111.6L87 F88 A89 K93 D113L87-D115 CarbonylContact C-O 3.49Å; L87-D115 WeakPolarHBondContact CA-O 3.44Å; F88-D115 WeakPolarHBondContact CD2-O 3.19Å; F88-D115 PolarHBondContact N-O 2.84Å; A89-D115 HydrophobicContact CB-CB 4.09Å; K93-D115 VanDerWaalsContact CE-OD2 3.22Å; K93-D115 WeakPolarHBondContact CE-OD2 3.28Å; K93-D115 IonicContact NZ-OD2 2.75Å; K93-D115 PolarHBondContact NZ-OD2 3.32Å; D113-D115 PolarHBondContact O-N 2.93Å; D113-D115 WeakPolarHBondContact OD1-CA 3.47Å; D113-D115 WeakPolarHBondContact OD1-CB 3.42Å; D113-D115 PolarHBondContact OD1-N 3.34Å
116V94.6Very high95.5Very high7 Ų750 Ų504%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-125.4128.5-179.81790000110.9L85 K86 L87 K93 L95 V112 D113 S114 V140L85-V116 HydrophobicContact CD2-CG1 4.4Å; K86-V116 WeakPolarHBondContact O-CA 3.24Å; L87-V116 HydrophobicContact CD1-CG2 3.44Å; L87-V116 VanDerWaalsContact CD1-CG2 3.44Å; K93-V116 HydrophobicContact CB-CG2 4.06Å; K93-V116 HydrophobicContact CG-CG2 4.22Å; L95-V116 HydrophobicContact CD1-CG1 4.23Å; L95-V116 HydrophobicContact CD2-CB 4.06Å; L95-V116 HydrophobicContact CD2-CG1 3.86Å; L95-V116 HydrophobicContact CD2-CG2 3.92Å; V112-V116 HydrophobicContact CB-CB 4.18Å; V112-V116 HydrophobicContact CB-CG1 4.33Å; V112-V116 HydrophobicContact CG1-CG1 4.19Å; V112-V116 WeakPolarHBondContact CG2-O 3.42Å; D113-V116 PolarHBondContact O-N 3.12Å; D113-V116 PolarHBondContact OD1-N 3.04Å; S114-V116 VanDerWaalsContact C-N 3.35Å; V116-V140 HydrophobicContact CG2-CG1 4.06Å
117E95Very high95.5Very high76 Ų7650 Ų5036%0.35527%0.274SS..EExtended strand (participates in β ladder)trans-116.5131.3173.1-177.8-175.8-174.800110.6K86 F88 L119K86-E117 HydrophobicContact CB-CB 4.29Å; K86-E117 PolarHBondContact N-O 3.1Å; K86-E117 PolarHBondContact O-N 2.91Å; F88-E117 HydrophobicContact CE2-CB 3.95Å; E117-L119 HydrophobicContact CG-CD2 3.92Å
118I95.3Very high95.6Very high9 Ų950.1 Ų50.15%0.04627%0.274CS..EExtended strand (participates in β ladder)trans-100.7121173.4-60.9174.5000108.6L83 L85 A107 I110 V112 K121L83-I118 HydrophobicContact CD2-CG2 4.35Å; L85-I118 HydrophobicContact CD2-CG1 3.76Å; A107-I118 HydrophobicContact CB-CG2 3.83Å; A107-I118 VanDerWaalsContact O-CD1 3.27Å; A107-I118 WeakPolarHBondContact O-CD1 3.3Å; I110-I118 HydrophobicContact CB-CD1 3.55Å; I110-I118 HydrophobicContact CD1-CD1 3.85Å; I110-I118 HydrophobicContact CG1-CD1 4.14Å; I110-I118 HydrophobicContact CG2-CD1 3.93Å; V112-I118 HydrophobicContact CG1-CD1 3.55Å; V112-I118 HydrophobicContact CG1-CG1 4.07Å; I118-K121 HydrophobicContact CG2-CG 4.26Å; I118-K121 VanDerWaalsContact O-CE 3.3Å; I118-K121 WeakPolarHBondContact O-CE 3.45Å; I118-K121 WeakPolarHBondContact O-CG 3.32Å
119L93.2Very high95.7Very high31 Ų3150.5 Ų50.516%0.16227%0.274CS..SBendtrans-92.9-35.7-169.2-55.3166000112.3A84 K86 E117 S201A84-L119 HydrophobicContact CB-CB 4.06Å; A84-L119 HydrophobicContact CB-CD1 4.24Å; A84-L119 PolarHBondContact O-N 3.39Å; K86-L119 HydrophobicContact CB-CD1 4.43Å; E117-L119 HydrophobicContact CG-CD2 3.92Å; L119-S201 VanDerWaalsContact CD1-N 3.3Å
120N94.3Very high95.6Very high30 Ų3055.5 Ų55.516%0.1630%0.295CS..  trans-102.462.4178.461.4-27.7000111.7G82 A84 A107 D122 M123G82-N120 PolarHBondContact O-ND2 3.07Å; A84-N120 HydrophobicContact CB-CB 4.41Å; A84-N120 WeakPolarHBondContact CB-OD1 3.49Å; A84-N120 PolarHBondContact N-OD1 3.35Å; A107-N120 VanDerWaalsContact CB-O 3.31Å; A107-N120 WeakPolarHBondContact CB-O 3.39Å; N120-D122 PolarHBondContact O-N 2.82Å; N120-D122 VanDerWaalsContact O-N 3.16Å; N120-M123 HydrophobicContact CB-CB 4.45Å; N120-M123 PolarHBondContact ND2-SD 2.95Å; N120-M123 VanDerWaalsContact ND2-SD 3.38Å; N120-M123 WeakPolarHBondContact O-CB 3.31Å; N120-M123 PolarHBondContact O-N 3.43Å
121K95.1Very high95.5Very high129 Ų12958.4 Ų58.456%0.56133%0.327SS*.THydrogen-bonded Turntrans-59.7-26.4-173.6-64-173.4179.2-174.50114.5T106 A107 G108 I118 M123T106-K121 WeakPolarHBondContact CB-O 3.39Å; T106-K121 PolarHBondContact OG1-O 3.32Å; A107-K121 PolarHBondContact N-O 3.03Å; G108-K121 PolarHBondContact N-O 3.45Å; I118-K121 HydrophobicContact CG2-CG 4.26Å; I118-K121 VanDerWaalsContact O-CE 3.3Å; I118-K121 WeakPolarHBondContact O-CE 3.45Å; I118-K121 WeakPolarHBondContact O-CG 3.32Å; K121-M123 PolarHBondContact O-N 2.73Å
122D95.8Very high95.4Very high139 Ų13954.8 Ų54.874%0.74331%0.311SS*.THydrogen-bonded Turntrans-77.2-8.3178.361.2-46.9000113.7N120 Y124N120-D122 PolarHBondContact O-N 2.82Å; N120-D122 VanDerWaalsContact O-N 3.16Å; D122-Y124 PolarHBondContact O-N 3.48Å
123M96.2Very high95.4Very high34 Ų3455.6 Ų55.617%0.16732%0.316CS..  trans-62.6123.7-178.1-170.7-164.282.200111.4N79 L83 T106 A107 N120 K121 I125N79-M123 WeakPolarHBondContact O-CE 3.19Å; L83-M123 HydrophobicContact CD2-CE 3.49Å; L83-M123 VanDerWaalsContact CD2-CE 3.49Å; L83-M123 HydrophobicContact CD2-SD 4.36Å; L83-M123 HydrophobicContact CG-CE 3.68Å; T106-M123 CarbonylContact C-O 3.54Å; T106-M123 WeakPolarHBondContact CA-O 3.32Å; A107-M123 HydrophobicContact CB-CB 4Å; A107-M123 HydrophobicContact CB-CE 4.42Å; A107-M123 PolarHBondContact N-O 3.5Å; N120-M123 HydrophobicContact CB-CB 4.45Å; N120-M123 PolarHBondContact ND2-SD 2.95Å; N120-M123 VanDerWaalsContact ND2-SD 3.38Å; N120-M123 WeakPolarHBondContact O-CB 3.31Å; N120-M123 PolarHBondContact O-N 3.43Å; K121-M123 PolarHBondContact O-N 2.73Å; M123-I125 HydrophobicContact CE-CG1 4.1Å
124Y97.7Very high95.7Very high77 Ų7752.9 Ų52.930%0.30230%0.301SS..EExtended strand (participates in β ladder)trans-65.9136.6176.6-180-98.4000112.3E71 T104 D122 T127E71-Y124 HydrophobicContact CG-CE1 4.35Å; E71-Y124 PolarHBondContact OE1-OH 2.78Å; E71-Y124 PolarHBondContact OE2-OH 2.85Å; T104-Y124 HydrophobicContact CG2-CD2 3.66Å; T104-Y124 HydrophobicContact CG2-CE2 3.67Å; D122-Y124 PolarHBondContact O-N 3.48Å; Y124-T127 WeakPolarHBondContact CE2-OG1 3.19Å; Y124-T127 WeakPolarHBondContact OH-CB 3.48Å; Y124-T127 PolarHBondContact OH-N 3.29Å; Y124-T127 VanDerWaalsContact OH-N 3.13Å; Y124-T127 PolarHBondContact OH-OG1 3.09Å
125I97.2Very high95.9Very high0 Ų049 Ų490%027%0.271CS..EExtended strand (participates in β ladder)trans-111.8-60.5173.2-61.5176.7000110.2I76 N79 I80 I97 V105 I110 M123I76-I125 HydrophobicContact CG2-CG2 4.35Å; N79-I125 PolarHBondContact ND2-O 2.75Å; I80-I125 HydrophobicContact CD1-CG2 4.32Å; I80-I125 HydrophobicContact CG1-CG2 4.03Å; I97-I125 HydrophobicContact CD1-CD1 4.01Å; V105-I125 HydrophobicContact CG1-CB 4.28Å; V105-I125 HydrophobicContact CG1-CD1 4.41Å; V105-I125 PolarHBondContact O-N 3.42Å; I110-I125 HydrophobicContact CD1-CD1 3.83Å; I110-I125 HydrophobicContact CG1-CD1 4.07Å; M123-I125 HydrophobicContact CE-CG1 4.1Å
126C97.6Very high96.1Very high0 Ų046.6 Ų46.60%026%0.258CS..EExtended strand (participates in β ladder)trans-161169.9-179.564.90000112V69 E71 I76 V105V69-C126 HydrophobicContact CG1-CB 3.82Å; E71-C126 HydrophobicContact CB-CB 4.31Å; E71-C126 HydrophobicContact CG-CB 4.35Å; E71-C126 WeakPolarHBondContact OE2-CA 3.37Å; E71-C126 VanDerWaalsContact OE2-CB 3.27Å; E71-C126 WeakPolarHBondContact OE2-CB 3.37Å; I76-C126 HydrophobicContact CD1-CB 4.38Å; I76-C126 HydrophobicContact CG1-CB 4.11Å; V105-C126 PolarHBondContact N-O 3.41Å; V105-C126 PolarHBondContact O-N 3.49Å
127T98Very high96.2Very high37 Ų3750.9 Ų50.923%0.22727%0.273CS..EExtended strand (participates in β ladder)trans-115.2127.6171.5-60.40000110.2V69 R70 E71 Y124V69-T127 WeakPolarHBondContact CA-O 3.46Å; R70-T127 PolarHBondContact N-O 2.73Å; E71-T127 PolarHBondContact OE2-N 2.84Å; Y124-T127 WeakPolarHBondContact CE2-OG1 3.19Å; Y124-T127 WeakPolarHBondContact OH-CB 3.48Å; Y124-T127 PolarHBondContact OH-N 3.29Å; Y124-T127 VanDerWaalsContact OH-N 3.13Å; Y124-T127 PolarHBondContact OH-OG1 3.09Å
128V97.8Very high96.3Very high2 Ų247.2 Ų47.21%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-104.3127179.5-171.20000109V69 P102 A103 V105 A132 F134V69-V128 HydrophobicContact CG2-CG2 4.46Å; P102-V128 WeakPolarHBondContact CA-O 3.5Å; A103-V128 PolarHBondContact N-O 3.2Å; A103-V128 PolarHBondContact O-N 3.32Å; V105-V128 HydrophobicContact CG2-CG2 3.72Å; V128-A132 HydrophobicContact CG1-CB 3.91Å; V128-A132 VanDerWaalsContact CG1-O 3.23Å; V128-A132 WeakPolarHBondContact CG1-O 3.4Å; V128-F134 HydrophobicContact CG2-CB 3.56Å; V128-F134 HydrophobicContact CG2-CG 4.44Å
129A97.2Very high96.3Very high49 Ų4947.6 Ų47.641%0.40526%0.259SS..  trans-73.5163.2178.300000112.3G68 G101 G131 A132G68-A129 VanDerWaalsContact O-CB 3.26Å; G68-A129 WeakPolarHBondContact O-CB 3.3Å; G68-A129 PolarHBondContact O-N 2.99Å; G101-A129 CarbonylContact C-O 3.54Å; G101-A129 WeakPolarHBondContact CA-O 3.5Å; A129-G131 PolarHBondContact O-N 2.82Å; A129-A132 PolarHBondContact O-N 2.88Å; A129-A132 VanDerWaalsContact O-N 3.16Å
130E96Very high96.5Very high168 Ų16846.1 Ų46.179%0.78525%0.251SS*.BIsolated β-bridgetrans-56.5128.7177.5-178.2172-169.800112.2P102 A132P102-E130 HydrophobicContact CB-CB 4.19Å; P102-E130 HydrophobicContact CG-CB 4.17Å; E130-A132 PolarHBondContact O-N 2.77Å
131G93.9Very high96.5Very high70 Ų7046.8 Ų46.872%0.72225%0.252SS*.THydrogen-bonded Turntrans76.30.5179.300000115.4G101 A129G101-G131 PolarHBondContact O-N 3.31Å; A129-G131 PolarHBondContact O-N 2.82Å
132A95.8Very high96.5Very high16 Ų1643.4 Ų43.413%0.13224%0.244CC..  trans-94.6152.7169.800000110.8T100 G101 V128 A129 E130T100-A132 WeakPolarHBondContact CA-O 3.41Å; G101-A132 PolarHBondContact N-O 2.96Å; V128-A132 HydrophobicContact CG1-CB 3.91Å; V128-A132 VanDerWaalsContact CG1-O 3.23Å; V128-A132 WeakPolarHBondContact CG1-O 3.4Å; A129-A132 PolarHBondContact O-N 2.88Å; A129-A132 VanDerWaalsContact O-N 3.16Å; E130-A132 PolarHBondContact O-N 2.77Å
133T95.3Very high96.3Very high72 Ų7237.8 Ų37.844%0.44222%0.219SC..EExtended strand (participates in β ladder)trans-122.2133.5176.7-55.60000108.8I99 T100I99-T133 WeakPolarHBondContact O-CA 3.36Å; T100-T133 PolarHBondContact OG1-OG1 2.75Å
134F97.2Very high96.1Very high1 Ų144.1 Ų44.10%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-109.2112.9170.5177.8-109000108.4I56 I66 V69 I76 I97 I99 V128 A136I56-F134 HydrophobicContact CD1-CE2 4.31Å; I56-F134 HydrophobicContact CG2-CD2 4.4Å; I56-F134 HydrophobicContact CG2-CE2 3.84Å; I66-F134 HydrophobicContact CD1-CD2 3.87Å; I66-F134 HydrophobicContact CD1-CE2 3.61Å; V69-F134 HydrophobicContact CG2-CB 4.22Å; V69-F134 HydrophobicContact CG2-CD2 4.07Å; I76-F134 HydrophobicContact CD1-CE2 3.95Å; I76-F134 HydrophobicContact CD1-CZ 4.36Å; I76-F134 HydrophobicContact CG2-CZ 4.07Å; I97-F134 HydrophobicContact CB-CE1 4.3Å; I97-F134 HydrophobicContact CD1-CE1 4.17Å; I97-F134 HydrophobicContact CG2-CD1 3.79Å; I97-F134 HydrophobicContact CG2-CE1 3.91Å; I99-F134 PolarHBondContact N-O 2.74Å; I99-F134 PolarHBondContact O-N 3.34Å; V128-F134 HydrophobicContact CG2-CB 3.56Å; V128-F134 HydrophobicContact CG2-CG 4.44Å; F134-A136 HydrophobicContact CE1-CB 4.07Å; F134-A136 HydrophobicContact CE2-CB 4.43Å; F134-A136 HydrophobicContact CZ-CB 3.82Å
135H97.6Very high95.7Very high31 Ų3141 Ų4114%0.14423%0.232CC..EExtended strand (participates in β ladder)trans-121.3124.4177.6-178.9-117.9000110.2D57 E96 I97D57-H135 HydrophobicContact CB-CB 4.34Å; D57-H135 PolarHBondContact N-O 2.9Å; D57-H135 IonicContact OD1-ND1 3.64Å; D57-H135 PolarHBondContact OD1-ND1 3.16Å; D57-H135 IonicContact OD2-CE1 3.86Å; D57-H135 IonicContact OD2-CG 2.73Å; D57-H135 IonicContact OD2-ND1 3.09Å; D57-H135 PolarHBondContact OD2-ND1 3.28Å; E96-H135 IonicContact OE1-CE1 3.6Å; E96-H135 IonicContact OE1-NE2 3.32Å; E96-H135 PolarHBondContact OE1-NE2 3.48Å; I97-H135 CarbonylContact O-C 3.54Å; I97-H135 WeakPolarHBondContact O-CA 3.45Å; I97-H135 PolarHBondContact O-CD2 3.11Å; I97-H135 VanDerWaalsContact O-CD2 3.27Å
136A97.2Very high95.5Very high0 Ų046.9 Ų46.90%026%0.255CS..EExtended strand (participates in β ladder)trans-147.6143.8-178.500000112Q55 I56 E96 I97 F134Q55-A136 CarbonylContact O-C 3.5Å; Q55-A136 VanDerWaalsContact O-CA 3.26Å; Q55-A136 WeakPolarHBondContact O-CA 3.34Å; I56-A136 HydrophobicContact CB-CB 4.48Å; I56-A136 HydrophobicContact CG1-CB 4Å; E96-A136 CarbonylContact C-O 3.57Å; E96-A136 WeakPolarHBondContact CA-O 3.23Å; I97-A136 PolarHBondContact N-O 2.86Å; I97-A136 PolarHBondContact O-N 3.44Å; F134-A136 HydrophobicContact CE1-CB 4.07Å; F134-A136 HydrophobicContact CE2-CB 4.43Å; F134-A136 HydrophobicContact CZ-CB 3.82Å
137R97.2Very high95.3Very high97 Ų9748.4 Ų48.437%0.36627%0.265SS..EExtended strand (participates in β ladder)trans-112.4133.7171.4-73.5176.1-74162.7-3.2110.2I54 Q55 T94 L95 E96I54-R137 CarbonylContact C-O 3.52Å; I54-R137 WeakPolarHBondContact CA-O 3.4Å; Q55-R137 PolarHBondContact N-O 2.86Å; Q55-R137 PolarHBondContact O-N 3.32Å; Q55-R137 VanDerWaalsContact OE1-CZ 3.25Å; T94-R137 HydrophobicContact CG2-CB 4.07Å; T94-R137 HydrophobicContact CG2-CG 4.25Å; L95-R137 CarbonylContact O-C 3.49Å; L95-R137 VanDerWaalsContact O-CA 3.3Å; L95-R137 WeakPolarHBondContact O-CA 3.49Å; E96-R137 HydrophobicContact CG-CG 4.39Å
138L97Very high95.1Very high0 Ų051.4 Ų51.40%028%0.276CS..EExtended strand (participates in β ladder)trans-118.3126.4-177.9-44.6176.5000108.7I51 I54 I80 L83 T94 L95 I97 I110I51-L138 HydrophobicContact CD1-CB 4.13Å; I51-L138 HydrophobicContact CD1-CD1 3.92Å; I51-L138 HydrophobicContact CG1-CB 4.46Å; I51-L138 HydrophobicContact CG2-CB 4.41Å; I54-L138 HydrophobicContact CB-CD2 4.14Å; I54-L138 HydrophobicContact CD1-CD2 4.04Å; I54-L138 HydrophobicContact CG1-CD2 3.73Å; I54-L138 HydrophobicContact CG2-CD2 3.68Å; I80-L138 HydrophobicContact CD1-CD2 3.88Å; I80-L138 HydrophobicContact CG2-CD1 4.28Å; I80-L138 HydrophobicContact CG2-CD2 4.33Å; L83-L138 HydrophobicContact CD1-CD1 4.31Å; T94-L138 CarbonylContact C-O 3.58Å; T94-L138 WeakPolarHBondContact CA-O 3.5Å; L95-L138 HydrophobicContact CB-CB 4.2Å; L95-L138 PolarHBondContact N-O 3.09Å; L95-L138 PolarHBondContact O-N 3.25Å; I97-L138 HydrophobicContact CD1-CD1 4.11Å; I110-L138 HydrophobicContact CD1-CD1 4.2Å
139T95.9Very high94.8Very high16 Ų1652.3 Ų52.310%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-97.3113.3174.8-58.20000110.3I51 T52 N53 E92 K93 K141I51-T139 CarbonylContact C-O 3.53Å; I51-T139 WeakPolarHBondContact CA-O 3.47Å; T52-T139 PolarHBondContact N-O 3.49Å; T52-T139 PolarHBondContact OG1-O 3.36Å; T52-T139 VanDerWaalsContact OG1-O 3.13Å; N53-T139 WeakPolarHBondContact ND2-CB 3.47Å; N53-T139 PolarHBondContact O-N 2.87Å; N53-T139 PolarHBondContact OD1-OG1 2.99Å; E92-T139 HydrophobicContact CB-CG2 4.24Å; K93-T139 CarbonylContact O-C 3.56Å; K93-T139 WeakPolarHBondContact O-CA 3.44Å; T139-K141 HydrophobicContact CG2-CG 4.42Å
140V96Very high94.6Very high0 Ų056 Ų560%030%0.297CS..EExtended strand (participates in β ladder)trans-95.6140.7173.763.20000110.5A49 A50 L85 L87 E92 K93 L95 V116A49-V140 HydrophobicContact CB-CG2 4.02Å; A50-V140 WeakPolarHBondContact O-CA 3.45Å; L85-V140 HydrophobicContact CD1-CB 4.33Å; L85-V140 HydrophobicContact CD1-CG2 3.77Å; L87-V140 HydrophobicContact CD1-CG1 4.44Å; E92-V140 WeakPolarHBondContact CA-O 3.13Å; K93-V140 HydrophobicContact CB-CG1 3.72Å; K93-V140 PolarHBondContact N-O 3.34Å; K93-V140 WeakPolarHBondContact O-CG1 3.33Å; K93-V140 PolarHBondContact O-N 3.1Å; L95-V140 HydrophobicContact CD1-CG1 4.4Å; L95-V140 HydrophobicContact CD2-CG1 4.02Å; L95-V140 HydrophobicContact CG-CG1 4.19Å; V116-V140 HydrophobicContact CG2-CG1 4.06Å
141K94.6Very high94.4Very high44 Ų4454.5 Ų54.519%0.19129%0.289CS..EExtended strand (participates in β ladder)trans-132.6154.3175.2-59.4-159.2-172.1-166.20111.6A49 A50 T52 E92 T139 Y168A49-K141 WeakPolarHBondContact CA-O 3.27Å; A50-K141 PolarHBondContact N-O 2.91Å; A50-K141 VanDerWaalsContact N-O 3.08Å; A50-K141 PolarHBondContact O-N 2.91Å; T52-K141 HydrophobicContact CG2-CB 3.93Å; T52-K141 HydrophobicContact CG2-CD 3.86Å; T52-K141 HydrophobicContact CG2-CG 3.68Å; E92-K141 HydrophobicContact CB-CD 4.03Å; E92-K141 HydrophobicContact CB-CG 3.7Å; E92-K141 WeakPolarHBondContact OE2-CE 3.35Å; E92-K141 IonicContact OE2-NZ 3.95Å; E92-K141 PolarHBondContact OE2-NZ 2.88Å; T139-K141 HydrophobicContact CG2-CG 4.42Å; K141-Y168 HydrophobicContact CB-CE1 4.49Å; K141-Y168 VanDerWaalsContact O-CE1 3.32Å; K141-Y168 WeakPolarHBondContact O-CE1 3.35Å
142P94.8Very high94.3Very high58 Ų5852.2 Ų52.238%0.37726%0.261SS..EExtended strand (participates in β ladder)trans-75.3146.3163.430.2-26.9000109.8G48 L87 E90G48-P142 WeakPolarHBondContact O-CA 3.42Å; L87-P142 HydrophobicContact CD2-CB 4.09Å; L87-P142 VanDerWaalsContact CD2-CD 3.48Å; L87-P142 HydrophobicContact CD2-CG 4.06Å; E90-P142 VanDerWaalsContact O-CG 3.27Å; E90-P142 WeakPolarHBondContact O-CG 3.27Å
143G93.1Very high94Very high22 Ų2258.1 Ų58.123%0.22728%0.283CS..EExtended strand (participates in β ladder)trans-172.7-168.5-179.400000112.9P47 G48P47-G143 WeakPolarHBondContact CA-O 3.47Å; G48-G143 PolarHBondContact N-O 3.14Å; G48-G143 PolarHBondContact O-N 3.47Å
144R91.6Very high93.7Very high167 Ų16759.7 Ų59.763%0.6328%0.284SS*.EExtended strand (participates in β ladder)trans-142.4146.6-179.9-69-179.9-173.8178.82.8110.4P47P47-R144 HydrophobicContact CB-CG 4.35Å
145G89.4Confident93Very high11 Ų1169.8 Ų69.811%0.11333%0.331CS..SBendtrans68-137.5174.500000113.2S44 Y168 T169S44-G145 VanDerWaalsContact O-CA 3.23Å; S44-G145 WeakPolarHBondContact O-CA 3.36Å; S44-G145 PolarHBondContact O-N 3.41Å; G145-Y168 PolarHBondContact O-N 2.87Å; G145-T169 PolarHBondContact O-N 2.79Å
146Y91.7Very high92.5Very high124 Ų12474.4 Ų74.449%0.48636%0.357SS..EExtended strand (participates in β ladder)trans-128.2133-176.9178.4-99000109.5Q148 D165 S166 I167Y146-Q148 HydrophobicContact CD1-CG 4.38Å; Y146-Q148 HydrophobicContact CE1-CG 3.61Å; Y146-D165 HydrophobicContact CE2-CB 3.86Å; Y146-D165 VanDerWaalsContact OH-CB 3.22Å; Y146-D165 WeakPolarHBondContact OH-CB 3.49Å; Y146-D165 PolarHBondContact OH-OD1 3.2Å; Y146-S166 WeakPolarHBondContact CA-O 3.43Å; Y146-I167 HydrophobicContact CD2-CG1 3.8Å; Y146-I167 HydrophobicContact CE2-CG1 3.89Å
147V93Very high92.2Very high32 Ų3276.3 Ų76.319%0.19437%0.366CS..EExtended strand (participates in β ladder)trans-125.4128.6177.1177.80000108.3E151 D165 S166 Y168V147-E151 HydrophobicContact CG1-CB 3.63Å; V147-D165 WeakPolarHBondContact O-CA 3.4Å; V147-S166 PolarHBondContact N-O 2.68Å; V147-S166 PolarHBondContact O-N 2.85Å; V147-Y168 HydrophobicContact CB-CE2 4.08Å; V147-Y168 HydrophobicContact CG2-CD2 4.32Å; V147-Y168 HydrophobicContact CG2-CE2 3.7Å
148Q94.6Very high91.7Very high100 Ų10075.7 Ų75.747%0.46738%0.375SS..  trans-71.9154.9179.4-72.3-176.7-10.300111.8Y146 D150 E151 N152 D165Y146-Q148 HydrophobicContact CD1-CG 4.38Å; Y146-Q148 HydrophobicContact CE1-CG 3.61Å; Q148-D150 PolarHBondContact O-N 2.93Å; Q148-E151 HydrophobicContact CB-CG 4.49Å; Q148-E151 PolarHBondContact N-OE1 2.63Å; Q148-E151 WeakPolarHBondContact O-CB 3.38Å; Q148-E151 PolarHBondContact O-N 3.17Å; Q148-N152 PolarHBondContact O-N 2.83Å; Q148-D165 WeakPolarHBondContact CA-OD1 3.45Å
149A92.7Very high91.2Very high20 Ų2082.8 Ų82.817%0.16541%0.411CS..Hα-helixtrans-53.4-41.2175.500000112.5E151 N152 K153 P163 D165A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 PolarHBondContact O-N 2.89Å; A149-N152 WeakPolarHBondContact O-CB 3.17Å; A149-N152 PolarHBondContact O-N 2.84Å; A149-N152 VanDerWaalsContact O-N 3.07Å; A149-K153 PolarHBondContact O-N 2.83Å; A149-P163 VanDerWaalsContact O-CB 3.31Å; A149-P163 WeakPolarHBondContact O-CB 3.33Å; A149-D165 PolarHBondContact N-OD1 2.85Å
150D92.3Very high90.9Very high128 Ų12882.3 Ų82.368%0.68441%0.41SS*.Hα-helixtrans-62.1-32179.1-72.8-25.8000113Q148 K153Q148-D150 PolarHBondContact O-N 2.93Å; D150-K153 WeakPolarHBondContact O-CB 3.37Å; D150-K153 PolarHBondContact O-N 2.89Å
151E92.2Very high90.8Very high135 Ų13583.3 Ų83.363%0.63142%0.416SS*.Hα-helixtrans-77.6-25.9176.4-65.3-179.9-97.700112.4V147 Q148 A149 K153V147-E151 HydrophobicContact CG1-CB 3.63Å; Q148-E151 HydrophobicContact CB-CG 4.49Å; Q148-E151 PolarHBondContact N-OE1 2.63Å; Q148-E151 WeakPolarHBondContact O-CB 3.38Å; Q148-E151 PolarHBondContact O-N 3.17Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 PolarHBondContact O-N 2.89Å; E151-K153 VanDerWaalsContact C-N 3.28Å
152N92Very high90.8Very high23 Ų2381.5 Ų81.512%0.12341%0.408CS..Hα-helixtrans-77.1-15.4172.9-77-34.5000112.9Q148 A149 K154 M157 P163 V164 S166Q148-N152 PolarHBondContact O-N 2.83Å; A149-N152 WeakPolarHBondContact O-CB 3.17Å; A149-N152 PolarHBondContact O-N 2.84Å; A149-N152 VanDerWaalsContact O-N 3.07Å; N152-K154 PolarHBondContact O-N 2.97Å; N152-M157 WeakPolarHBondContact O-CE 3.3Å; N152-P163 HydrophobicContact CB-CB 4.12Å; N152-V164 PolarHBondContact ND2-O 2.88Å; N152-S166 PolarHBondContact ND2-OG 2.92Å
153K89.6Confident90.9Very high139 Ų13980.3 Ų80.360%0.60440%0.401SS*.  trans-73.7119.9179.3-169.3176.2-178.7173.90110.4A149 D150 E151 P163A149-K153 PolarHBondContact O-N 2.83Å; D150-K153 WeakPolarHBondContact O-CB 3.37Å; D150-K153 PolarHBondContact O-N 2.89Å; E151-K153 VanDerWaalsContact C-N 3.28Å; K153-P163 HydrophobicContact CB-CB 4.36Å; K153-P163 HydrophobicContact CB-CG 4.1Å; K153-P163 HydrophobicContact CG-CG 4.37Å
154K87.2Confident90.9Very high106 Ų10679.4 Ų79.446%0.46139%0.391SS..  trans-100.3151.2172.7-55.4179.6177.4178.40110.7N152 D156 M157N152-K154 PolarHBondContact O-N 2.97Å; K154-D156 WeakPolarHBondContact CB-OD1 3.36Å; K154-D156 PolarHBondContact O-N 3.43Å; K154-M157 HydrophobicContact CB-CB 4.46Å; K154-M157 VanDerWaalsContact O-CB 3.27Å; K154-M157 WeakPolarHBondContact O-CB 3.24Å; K154-M157 PolarHBondContact O-N 3.43Å
155E83.6Confident91.1Very high212 Ų21273.2 Ų73.299%0.99137%0.37SS*.THydrogen-bonded Turntrans-63.4-28.7178.9-65.6-171.9168.400112.9
156D87.7Confident91.3Very high129 Ų12972.8 Ų72.869%0.6937%0.365SS*.THydrogen-bonded Turntrans-92.14.3-178.966-32.8000113.7K154 P158K154-D156 WeakPolarHBondContact CB-OD1 3.36Å; K154-D156 PolarHBondContact O-N 3.43Å; D156-P158 WeakPolarHBondContact O-CD 3.35Å
157M89Confident91.4Very high40 Ų4070.8 Ų70.820%0.19736%0.362CS..PPolyproline II helixtrans-65.4125.2-175.9-171.8172.4-85.600110.8N53 N152 K154 V161 P163N53-M157 HydrophobicContact CB-CE 4.1Å; N152-M157 WeakPolarHBondContact O-CE 3.3Å; K154-M157 HydrophobicContact CB-CB 4.46Å; K154-M157 VanDerWaalsContact O-CB 3.27Å; K154-M157 WeakPolarHBondContact O-CB 3.24Å; K154-M157 PolarHBondContact O-N 3.43Å; M157-V161 HydrophobicContact CE-CG1 4.02Å; M157-V161 HydrophobicContact CG-CB 3.63Å; M157-V161 HydrophobicContact CG-CG1 3.65Å; M157-V161 HydrophobicContact CG-CG2 4.42Å; M157-V161 HydrophobicContact SD-CB 4.01Å; M157-V161 HydrophobicContact SD-CG1 3.56Å; M157-V161 VanDerWaalsContact SD-CG1 3.56Å; M157-P163 HydrophobicContact SD-CB 4.44Å
158P87.5Confident91.4Very high83 Ų8370 Ų7054%0.53936%0.356SS..PPolyproline II helixtrans-60.3153-179.5-23.933000113D156 G160 V161D156-P158 WeakPolarHBondContact O-CD 3.35Å; P158-G160 PolarHBondContact O-N 2.88Å; P158-V161 HydrophobicContact CB-CG2 4.14Å; P158-V161 HydrophobicContact CG-CG2 4.37Å; P158-V161 WeakPolarHBondContact O-CB 3.41Å; P158-V161 PolarHBondContact O-N 3.27Å
159I86.4Confident91.3Very high149 Ų14966.5 Ų66.576%0.76434%0.341SS*.THydrogen-bonded Turntrans-60.5135173.8-60.1174.7000109.7L60L60-I159 HydrophobicContact CD2-CG2 3.86Å
160G89.8Confident91.3Very high7 Ų765.6 Ų65.67%0.07233%0.334CS..THydrogen-bonded Turntrans90-6.3-178.300000114.5V59 P158V59-G160 WeakPolarHBondContact O-CA 3.44Å; P158-G160 PolarHBondContact O-N 2.88Å
161V94.6Very high91.5Very high20 Ų2059.5 Ų59.512%0.12130%0.301CS..EExtended strand (participates in β ladder)trans-84117.7166.8-178.30000108.4N53 Q55 M157 P158N53-V161 HydrophobicContact CB-CG1 3.72Å; N53-V161 WeakPolarHBondContact OD1-CG1 3.47Å; Q55-V161 HydrophobicContact CB-CG2 4.22Å; Q55-V161 HydrophobicContact CG-CG2 4.24Å; M157-V161 HydrophobicContact CE-CG1 4.02Å; M157-V161 HydrophobicContact CG-CB 3.63Å; M157-V161 HydrophobicContact CG-CG1 3.65Å; M157-V161 HydrophobicContact CG-CG2 4.42Å; M157-V161 HydrophobicContact SD-CB 4.01Å; M157-V161 HydrophobicContact SD-CG1 3.56Å; M157-V161 VanDerWaalsContact SD-CG1 3.56Å; P158-V161 HydrophobicContact CB-CG2 4.14Å; P158-V161 HydrophobicContact CG-CG2 4.37Å; P158-V161 WeakPolarHBondContact O-CB 3.41Å; P158-V161 PolarHBondContact O-N 3.27Å
162L94.7Very high91.5Very high6 Ų660.5 Ų60.53%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-99.2111.7-177.7-53.3-178.3000108.8N53 I54 V59 E62 V73 I77N53-L162 CarbonylContact C-O 3.56Å; N53-L162 WeakPolarHBondContact CA-O 3.22Å; N53-L162 WeakPolarHBondContact CB-O 3.31Å; I54-L162 PolarHBondContact N-O 3.12Å; I54-L162 WeakPolarHBondContact O-CB 3.17Å; I54-L162 PolarHBondContact O-N 2.92Å; V59-L162 HydrophobicContact CG1-CD1 3.85Å; E62-L162 HydrophobicContact CB-CD1 4.42Å; V73-L162 HydrophobicContact CG1-CD1 3.66Å; I77-L162 HydrophobicContact CD1-CD1 4.17Å
163P95.4Very high91.7Very high34 Ų3464.3 Ų64.322%0.22132%0.315CS..EExtended strand (participates in β ladder)trans-67.5143.4171.330.7-34.2000109.5A149 N152 K153 M157A149-P163 VanDerWaalsContact O-CB 3.31Å; A149-P163 WeakPolarHBondContact O-CB 3.33Å; N152-P163 HydrophobicContact CB-CB 4.12Å; K153-P163 HydrophobicContact CB-CB 4.36Å; K153-P163 HydrophobicContact CB-CG 4.1Å; K153-P163 HydrophobicContact CG-CG 4.37Å; M157-P163 HydrophobicContact SD-CB 4.44Å
164V95Very high92Very high3 Ų357.8 Ų57.82%0.01829%0.287CS..  trans-129.5156-179.9-60.10000109.8I51 T52 I54 I77 N152 S166I51-V164 HydrophobicContact CB-CG2 4.48Å; I51-V164 HydrophobicContact CG2-CG2 3.86Å; T52-V164 PolarHBondContact O-N 2.86Å; I54-V164 HydrophobicContact CD1-CG1 3.87Å; I54-V164 HydrophobicContact CD1-CG2 4.47Å; I54-V164 HydrophobicContact CG1-CG1 4Å; I54-V164 HydrophobicContact CG1-CG2 4.35Å; I77-V164 HydrophobicContact CB-CG1 4.45Å; I77-V164 HydrophobicContact CD1-CG1 4.34Å; I77-V164 HydrophobicContact CG1-CG1 4.08Å; I77-V164 HydrophobicContact CG2-CB 4.18Å; I77-V164 HydrophobicContact CG2-CG1 3.6Å; N152-V164 PolarHBondContact ND2-O 2.88Å; V164-S166 PolarHBondContact O-N 2.78Å
165D95Very high92.5Very high37 Ų3755.8 Ų55.820%0.19828%0.281CS..  trans-64134.1172.5-52.4-81.4000110.8K81 Y146 V147 Q148 A149K81-D165 IonicContact NZ-OD2 3.91Å; K81-D165 PolarHBondContact NZ-OD2 2.92Å; Y146-D165 HydrophobicContact CE2-CB 3.86Å; Y146-D165 VanDerWaalsContact OH-CB 3.22Å; Y146-D165 WeakPolarHBondContact OH-CB 3.49Å; Y146-D165 PolarHBondContact OH-OD1 3.2Å; V147-D165 WeakPolarHBondContact O-CA 3.4Å; Q148-D165 WeakPolarHBondContact CA-OD1 3.45Å; A149-D165 PolarHBondContact N-OD1 2.85Å
166S94.3Very high93.1Very high1 Ų149.2 Ų49.21%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-107.6118-178-58.80000110.6I51 T52 Y146 V147 N152 V164I51-S166 WeakPolarHBondContact O-CB 3.34Å; I51-S166 PolarHBondContact O-OG 2.98Å; T52-S166 WeakPolarHBondContact CA-OG 3.31Å; Y146-S166 WeakPolarHBondContact CA-O 3.43Å; V147-S166 PolarHBondContact N-O 2.68Å; V147-S166 PolarHBondContact O-N 2.85Å; N152-S166 PolarHBondContact ND2-OG 2.92Å; V164-S166 PolarHBondContact O-N 2.78Å
167I93.1Very high93.6Very high83 Ų8348 Ų4843%0.42624%0.238SC..EExtended strand (participates in β ladder)trans-102.294.7174.8-55.8167.6000107.4A50 Y146 T169A50-I167 WeakPolarHBondContact CB-O 3.41Å; Y146-I167 HydrophobicContact CD2-CG1 3.8Å; Y146-I167 HydrophobicContact CE2-CG1 3.89Å; I167-T169 HydrophobicContact CG2-CG2 3.86Å
168Y93.6Very high93.9Very high14 Ų1448.2 Ų48.26%0.05524%0.241CC..  trans-83.8-16.9-179.8-60.7-85.6000113G48 A50 T52 K141 G145 V147 P170G48-Y168 VanDerWaalsContact CA-O 3.25Å; G48-Y168 WeakPolarHBondContact CA-O 3.35Å; A50-Y168 HydrophobicContact CB-CD1 3.51Å; A50-Y168 HydrophobicContact CB-CD2 4.36Å; A50-Y168 HydrophobicContact CB-CE1 3.66Å; A50-Y168 HydrophobicContact CB-CE2 4.48Å; A50-Y168 HydrophobicContact CB-CG 3.9Å; T52-Y168 WeakPolarHBondContact CG2-OH 3.44Å; K141-Y168 HydrophobicContact CB-CE1 4.49Å; K141-Y168 VanDerWaalsContact O-CE1 3.32Å; K141-Y168 WeakPolarHBondContact O-CE1 3.35Å; G145-Y168 PolarHBondContact O-N 2.87Å; V147-Y168 HydrophobicContact CB-CE2 4.08Å; V147-Y168 HydrophobicContact CG2-CD2 4.32Å; V147-Y168 HydrophobicContact CG2-CE2 3.7Å; Y168-P170 VanDerWaalsContact O-CD 3.32Å; Y168-P170 WeakPolarHBondContact O-CD 3.37Å
169T91.7Very high94.3Very high27 Ų2748.4 Ų48.417%0.16624%0.235CC..  trans-70.2119.5-176.1-173.30000110.7L43 G145 I167 V171L43-T169 VanDerWaalsContact O-CB 3.32Å; L43-T169 WeakPolarHBondContact O-CB 3.3Å; L43-T169 PolarHBondContact O-OG1 2.89Å; G145-T169 PolarHBondContact O-N 2.79Å; I167-T169 HydrophobicContact CG2-CG2 3.86Å; T169-V171 PolarHBondContact O-N 2.87Å
170P93.3Very high94.6Very high1 Ų147.2 Ų47.21%0.00623%0.23CC..SBendtrans-78.4-7.8-179.534.4-37.7000112.4L46 Y168 T198 D199 S201 I202L46-P170 HydrophobicContact CB-CG 4.08Å; L46-P170 HydrophobicContact CD1-CG 4.24Å; Y168-P170 VanDerWaalsContact O-CD 3.32Å; Y168-P170 WeakPolarHBondContact O-CD 3.37Å; P170-T198 CarbonylContact O-C 3.6Å; P170-T198 WeakPolarHBondContact O-CA 3.49Å; P170-T198 WeakPolarHBondContact O-CB 3.45Å; P170-D199 PolarHBondContact O-N 3.49Å; P170-S201 WeakPolarHBondContact CB-OG 3.03Å; P170-I202 HydrophobicContact CB-CG2 3.7Å; P170-I202 HydrophobicContact CG-CG2 3.67Å
171V95.1Very high94.5Very high1 Ų148 Ų481%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-98.8113.8-180179.80000109.4L42 L43 L46 T169 V174 I196 W197 T198 A207L42-V171 HydrophobicContact CB-CG1 4.43Å; L42-V171 HydrophobicContact CD2-CG2 4.28Å; L42-V171 WeakPolarHBondContact O-CB 3.32Å; L43-V171 HydrophobicContact CD2-CG1 4.14Å; L46-V171 HydrophobicContact CD1-CG2 3.63Å; T169-V171 PolarHBondContact O-N 2.87Å; V171-V174 HydrophobicContact CG1-CG2 3.38Å; V171-I196 HydrophobicContact CG1-CG2 3.99Å; V171-I196 HydrophobicContact CG2-CG2 4.42Å; V171-W197 CarbonylContact C-O 3.56Å; V171-T198 HydrophobicContact CG2-CG2 4.36Å; V171-A207 HydrophobicContact CG2-CB 4.08Å
172R92.8Very high94.1Very high155 Ų15555.1 Ų55.159%0.58526%0.258SS*.EExtended strand (participates in β ladder)trans-79.8-35.6-178.5-54.2-167.1-128.9-150.38.7112.3W197 T198R172-W197 PolarHBondContact N-O 3.22Å; R172-T198 PolarHBondContact NE-O 3.2Å; R172-T198 PolarHBondContact NH2-O 3.36Å
173K95.3Very high93.4Very high104 Ų10456.7 Ų56.745%0.45227%0.268SS..EExtended strand (participates in β ladder)trans-153142.2-174.9-171.9-179.1178.7-172.60111N175 W197K173-N175 WeakPolarHBondContact CE-OD1 3.42Å; K173-W197 HydrophobicContact CB-CB 4.17Å; K173-W197 HydrophobicContact CB-CD2 4.31Å; K173-W197 HydrophobicContact CB-CE3 3.83Å; K173-W197 HydrophobicContact CB-CG 4.49Å; K173-W197 HydrophobicContact CD-CD2 4.31Å; K173-W197 HydrophobicContact CD-CE3 3.9Å; K173-W197 HydrophobicContact CD-CZ3 4.11Å; K173-W197 HydrophobicContact CG-CE3 3.83Å; K173-W197 HydrophobicContact CG-CZ3 4.17Å; K173-W197 PolarHBondContact N-O 3.32Å; K173-W197 PolarHBondContact O-N 3.49Å
174V96.8Very high92.6Very high2 Ų257.1 Ų57.11%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-135.8125.2170.2-177.60000109.1R39 L42 L43 V171 E195 I196R39-V174 HydrophobicContact CB-CB 4.47Å; R39-V174 HydrophobicContact CB-CG1 3.94Å; R39-V174 HydrophobicContact CG-CB 4.01Å; R39-V174 HydrophobicContact CG-CG1 3.98Å; R39-V174 PolarHBondContact NE-O 3.35Å; R39-V174 VanDerWaalsContact NE-O 3.15Å; L42-V174 HydrophobicContact CB-CG2 3.8Å; L42-V174 HydrophobicContact CD1-CG1 4.01Å; L42-V174 HydrophobicContact CD1-CG2 3.91Å; L42-V174 HydrophobicContact CG-CG2 4.46Å; L43-V174 HydrophobicContact CD2-CG2 4.11Å; L43-V174 HydrophobicContact CG-CG2 4.11Å; V171-V174 HydrophobicContact CG1-CG2 3.38Å; V174-E195 WeakPolarHBondContact CA-O 3.18Å; V174-I196 HydrophobicContact CG1-CG1 4.38Å; V174-I196 HydrophobicContact CG2-CG2 4.47Å
175N97.2Very high91.8Very high64 Ų6467.7 Ų67.734%0.34232%0.318SS..EExtended strand (participates in β ladder)trans-113.1146.2168.9-72.1-11.3000108.9K173 M194 E195 W197K173-N175 WeakPolarHBondContact CE-OD1 3.42Å; N175-M194 WeakPolarHBondContact O-CA 3.45Å; N175-E195 HydrophobicContact CB-CB 4.33Å; N175-E195 PolarHBondContact N-O 3.35Å; N175-E195 PolarHBondContact O-N 3.31Å; N175-W197 HydrophobicContact CB-CH2 4.41Å; N175-W197 HydrophobicContact CB-CZ3 4.01Å
176Y96.8Very high91Very high74 Ų7473.3 Ų73.329%0.2934%0.337SS..EExtended strand (participates in β ladder)trans-138.1147.9166.274.6-86.1000109.8N36 R39 V178 L192 T193N36-Y176 HydrophobicContact CB-CE1 4.38Å; R39-Y176 HydrophobicContact CB-CD1 4.32Å; Y176-V178 HydrophobicContact CD2-CG2 4.01Å; Y176-V178 HydrophobicContact CE2-CG2 4.11Å; Y176-L192 HydrophobicContact CD2-CD1 3.91Å; Y176-L192 HydrophobicContact CG-CD1 4.31Å; Y176-T193 CarbonylContact C-O 3.5Å; Y176-T193 WeakPolarHBondContact CA-O 3.2Å
177Q97.3Very high90.4Very high103 Ų10377.2 Ų77.248%0.48136%0.357SS..EExtended strand (participates in β ladder)trans-131.1136.3176-175175.3-14.600108.2E179 T193Q177-E179 HydrophobicContact CG-CG 4.06Å; Q177-E179 PolarHBondContact NE2-OE1 3.15Å; Q177-T193 PolarHBondContact N-O 3.4Å; Q177-T193 PolarHBondContact O-N 3.18Å
178V96.9Very high90.2Very high44 Ų4476.6 Ų76.627%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-113.5123.9176-1750000107.3G31 Y176 D190 K191 L192G31-V178 VanDerWaalsContact C-CG2 3.48Å; Y176-V178 HydrophobicContact CD2-CG2 4.01Å; Y176-V178 HydrophobicContact CE2-CG2 4.11Å; V178-D190 HydrophobicContact CG1-CB 3.85Å; V178-K191 WeakPolarHBondContact CA-O 3.32Å; V178-L192 HydrophobicContact CG2-CD1 4.08Å
179E95Very high90Very high87 Ų8776.5 Ų76.541%0.40736%0.355SS..EExtended strand (participates in β ladder)trans-122.6158.3177.7-58.2-17712700109.2Q177 D190 K191Q177-E179 HydrophobicContact CG-CG 4.06Å; Q177-E179 PolarHBondContact NE2-OE1 3.15Å; E179-D190 CarbonylContact O-C 3.53Å; E179-K191 PolarHBondContact N-O 2.86Å; E179-K191 PolarHBondContact O-N 2.9Å
180N92.4Very high90.2Very high125 Ų12575.6 Ų75.667%0.66835%0.349SS*.EExtended strand (participates in β ladder)trans-76.9138.3173.1-68.87.3000109.8F189N180-F189 CarbonylContact C-O 3.6Å; N180-F189 WeakPolarHBondContact CA-O 3.19Å
181T88.7Confident90.3Very high24 Ų2478.1 Ų78.115%0.14736%0.36CS..EExtended strand (participates in β ladder)trans-123147.7171.6-163.30000110E24 P25 F189 K191E24-T181 HydrophobicContact CB-CG2 4.29Å; E24-T181 WeakPolarHBondContact OE2-CB 3.19Å; E24-T181 PolarHBondContact OE2-OG1 3.19Å; P25-T181 HydrophobicContact CB-CG2 4.13Å; T181-F189 HydrophobicContact CG2-CB 3.64Å; T181-F189 PolarHBondContact N-O 3.42Å; T181-F189 PolarHBondContact O-N 2.98Å; T181-K191 HydrophobicContact CG2-CB 4.24Å
182R85.1Confident90.4Very high169 Ų16978.2 Ų78.264%0.63836%0.36SS*.EExtended strand (participates in β ladder)trans-102128-178.6178.2175.7-74.2179.8-3.5109.6R186 D187R182-R186 CarbonylContact C-O 3.44Å; R182-R186 VanDerWaalsContact CA-O 3.3Å; R182-R186 WeakPolarHBondContact CA-O 3.34Å; R182-D187 HydrophobicContact CB-CB 4.08Å; R182-D187 HydrophobicContact CG-CB 4.23Å; R182-D187 IonicContact CZ-OD2 3.06Å; R182-D187 IonicContact NE-OD2 2.59Å; R182-D187 IonicContact NH2-OD2 2.6Å; R182-D187 PolarHBondContact NH2-OD2 3.18Å
183V80.2Confident90.6Very high38 Ų3871.3 Ų71.323%0.2334%0.335CS..EExtended strand (participates in β ladder)trans-120.8109.4172-174.70000108P25 R185 R186 F189P25-V183 HydrophobicContact CB-CG2 3.39Å; P25-V183 HydrophobicContact CG-CG2 3.76Å; V183-R185 PolarHBondContact O-N 2.89Å; V183-R186 PolarHBondContact N-O 2.69Å; V183-R186 PolarHBondContact O-N 3.28Å; V183-R186 VanDerWaalsContact O-N 3.1Å; V183-F189 HydrophobicContact CB-CD2 3.73Å; V183-F189 HydrophobicContact CB-CE2 3.7Å; V183-F189 HydrophobicContact CG2-CB 4.35Å; V183-F189 HydrophobicContact CG2-CD2 3.62Å; V183-F189 HydrophobicContact CG2-CE2 4.01Å; V183-F189 HydrophobicContact CG2-CG 3.98Å
184G79.2Confident90.7Very high43 Ų4366.6 Ų66.644%0.44332%0.315SS..THydrogen-bonded Turntrans55.3-109.7-172.500000112.3
185R77.7Confident90.8Very high225 Ų22568.9 Ų68.985%0.84933%0.325SS*.THydrogen-bonded Turntrans-95.8-8.2-178-67.1-173.7178177.61.1115V183V183-R185 PolarHBondContact O-N 2.89Å
186R78.3Confident90.8Very high156 Ų15665.8 Ų65.859%0.58931%0.309SS*.EExtended strand (participates in β ladder)trans-103.6130-178.1-73.7-172.2-173.6179.72.4109.8R182 V183 F189R182-R186 CarbonylContact C-O 3.44Å; R182-R186 VanDerWaalsContact CA-O 3.3Å; R182-R186 WeakPolarHBondContact CA-O 3.34Å; V183-R186 PolarHBondContact N-O 2.69Å; V183-R186 PolarHBondContact O-N 3.28Å; V183-R186 VanDerWaalsContact O-N 3.1Å; R186-F189 HydrophobicContact CB-CD2 4.1Å; R186-F189 HydrophobicContact CB-CE2 3.68Å
187D82Confident90.8Very high83 Ų8365.6 Ų65.644%0.44431%0.308SS..EExtended strand (participates in β ladder)trans-118.121.1-17958.12.4000113.9R182R182-D187 HydrophobicContact CB-CB 4.08Å; R182-D187 HydrophobicContact CG-CB 4.23Å; R182-D187 IonicContact CZ-OD2 3.06Å; R182-D187 IonicContact NE-OD2 2.59Å; R182-D187 IonicContact NH2-OD2 2.6Å; R182-D187 PolarHBondContact NH2-OD2 3.18Å
188D87.8Confident90.7Very high70 Ų7060.8 Ų60.837%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-107.29.9179.665.2-30.9000113.8R28R28-D188 VanDerWaalsContact CB-O 3.31Å; R28-D188 WeakPolarHBondContact CB-O 3.34Å
189F91.4Very high90.4Very high11 Ų1160.1 Ų60.15%0.04828%0.28CS..EExtended strand (participates in β ladder)trans-73.6150.2170-70.2-83.8000110.5P25 L26 N180 T181 V183 R186P25-F189 HydrophobicContact CB-CB 4.16Å; P25-F189 HydrophobicContact CB-CD1 4.2Å; P25-F189 HydrophobicContact CB-CG 4.23Å; L26-F189 CarbonylContact O-C 3.59Å; L26-F189 WeakPolarHBondContact O-CA 3.47Å; L26-F189 WeakPolarHBondContact O-CB 3.43Å; L26-F189 WeakPolarHBondContact O-CD1 3.43Å; N180-F189 CarbonylContact C-O 3.6Å; N180-F189 WeakPolarHBondContact CA-O 3.19Å; T181-F189 HydrophobicContact CG2-CB 3.64Å; T181-F189 PolarHBondContact N-O 3.42Å; T181-F189 PolarHBondContact O-N 2.98Å; V183-F189 HydrophobicContact CB-CD2 3.73Å; V183-F189 HydrophobicContact CB-CE2 3.7Å; V183-F189 HydrophobicContact CG2-CB 4.35Å; V183-F189 HydrophobicContact CG2-CD2 3.62Å; V183-F189 HydrophobicContact CG2-CE2 4.01Å; V183-F189 HydrophobicContact CG2-CG 3.98Å; R186-F189 HydrophobicContact CB-CD2 4.1Å; R186-F189 HydrophobicContact CB-CE2 3.68Å
190D94.5Very high90.2Very high9 Ų956.4 Ų56.45%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-89.6140.5176-74.77.2000110.5L26 G29 Y30 G31 V178 E179L26-D190 HydrophobicContact CB-CB 3.93Å; L26-D190 WeakPolarHBondContact CB-O 3.3Å; L26-D190 PolarHBondContact N-O 3.44Å; L26-D190 PolarHBondContact O-N 3.09Å; G29-D190 VanDerWaalsContact CA-OD2 3.24Å; G29-D190 WeakPolarHBondContact CA-OD2 3.34Å; G29-D190 PolarHBondContact N-OD1 2.86Å; G29-D190 PolarHBondContact N-OD2 2.6Å; Y30-D190 PolarHBondContact N-OD2 3.06Å; G31-D190 WeakPolarHBondContact CA-OD2 3.4Å; G31-D190 PolarHBondContact N-OD2 2.83Å; V178-D190 HydrophobicContact CG1-CB 3.85Å; E179-D190 CarbonylContact O-C 3.53Å
191K95.4Very high90.1Very high54 Ų5451.1 Ų51.124%0.23524%0.239CC..EExtended strand (participates in β ladder)trans-113115.5162.1170.7-173.2-176.81200107.9V22 E24 V178 E179 T181V22-K191 HydrophobicContact CG1-CD 4.34Å; V22-K191 HydrophobicContact CG1-CG 3.88Å; E24-K191 HydrophobicContact CB-CB 4.08Å; E24-K191 HydrophobicContact CB-CG 4.16Å; E24-K191 HydrophobicContact CG-CG 4.48Å; E24-K191 IonicContact OE1-NZ 3.89Å; E24-K191 PolarHBondContact OE1-NZ 3.35Å; E24-K191 WeakPolarHBondContact OE2-CD 3.23Å; E24-K191 IonicContact OE2-NZ 2.85Å; V178-K191 WeakPolarHBondContact CA-O 3.32Å; E179-K191 PolarHBondContact N-O 2.86Å; E179-K191 PolarHBondContact O-N 2.9Å; T181-K191 HydrophobicContact CG2-CB 4.24Å
192L97.3Very high90.3Very high2 Ų251.1 Ų51.11%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-96.2115.9178.6172.361.6000109.5V22 V23 L26 L34 Y176 V178 M194V22-L192 CarbonylContact C-O 3.47Å; V22-L192 VanDerWaalsContact CA-O 3.32Å; V22-L192 WeakPolarHBondContact CA-O 3.5Å; V23-L192 HydrophobicContact CB-CB 4.45Å; V23-L192 PolarHBondContact N-O 2.89Å; V23-L192 PolarHBondContact O-N 3.33Å; L26-L192 HydrophobicContact CD1-CB 3.7Å; L26-L192 HydrophobicContact CD1-CD2 4.38Å; L34-L192 HydrophobicContact CB-CD2 4Å; Y176-L192 HydrophobicContact CD2-CD1 3.91Å; Y176-L192 HydrophobicContact CG-CD1 4.31Å; V178-L192 HydrophobicContact CG2-CD1 4.08Å; L192-M194 HydrophobicContact CD1-CG 3.85Å; L192-M194 HydrophobicContact CD2-CG 4.13Å; L192-M194 HydrophobicContact CD2-SD 4.16Å; L192-M194 HydrophobicContact CG-CG 3.83Å; L192-M194 HydrophobicContact CG-SD 4.48Å
193T97.5Very high90.7Very high11 Ų1145.6 Ų45.67%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-101.3126.5167.7-57.80000108.9K20 F21 V22 Y176 Q177K20-T193 HydrophobicContact CG-CG2 4.22Å; F21-T193 CarbonylContact O-C 3.55Å; F21-T193 WeakPolarHBondContact O-CA 3.38Å; V22-T193 HydrophobicContact CG2-CG2 3.92Å; V22-T193 WeakPolarHBondContact CG2-OG1 3.31Å; Y176-T193 CarbonylContact C-O 3.5Å; Y176-T193 WeakPolarHBondContact CA-O 3.2Å; Q177-T193 PolarHBondContact N-O 3.4Å; Q177-T193 PolarHBondContact O-N 3.18Å
194M97.6Very high91.4Very high4 Ų443.8 Ų43.82%0.0221%0.209CC..EExtended strand (participates in β ladder)trans-119.9135.6174.3-59.7-152.2-56.400110.8K20 F21 L38 N175 L192 L208K20-M194 WeakPolarHBondContact CA-O 3.18Å; F21-M194 PolarHBondContact N-O 3.26Å; F21-M194 PolarHBondContact O-N 3.08Å; L38-M194 HydrophobicContact CB-CE 4.28Å; L38-M194 HydrophobicContact CB-SD 4.31Å; L38-M194 HydrophobicContact CD1-CE 3.8Å; L38-M194 HydrophobicContact CD1-SD 4.31Å; N175-M194 WeakPolarHBondContact O-CA 3.45Å; L192-M194 HydrophobicContact CD1-CG 3.85Å; L192-M194 HydrophobicContact CD2-CG 4.13Å; L192-M194 HydrophobicContact CD2-SD 4.16Å; L192-M194 HydrophobicContact CG-CG 3.83Å; L192-M194 HydrophobicContact CG-SD 4.48Å; M194-L208 HydrophobicContact CE-CD1 3.23Å; M194-L208 HydrophobicContact CE-CD2 3.92Å; M194-L208 HydrophobicContact CE-CG 4.23Å
195E97.8Very high92.1Very high50 Ų5045.8 Ų45.823%0.23421%0.207CC..EExtended strand (participates in β ladder)trans-121.3125.4175.5-65-177.5-10800108.8Y18 G19 K20 V174 N175 W197Y18-E195 HydrophobicContact CE2-CB 4Å; Y18-E195 HydrophobicContact CE2-CG 4.34Å; Y18-E195 PolarHBondContact OH-OE2 2.85Å; G19-E195 WeakPolarHBondContact O-CA 3.42Å; K20-E195 HydrophobicContact CB-CG 4.48Å; K20-E195 HydrophobicContact CD-CG 4.3Å; K20-E195 HydrophobicContact CG-CG 4.07Å; V174-E195 WeakPolarHBondContact CA-O 3.18Å; N175-E195 HydrophobicContact CB-CB 4.33Å; N175-E195 PolarHBondContact N-O 3.35Å; N175-E195 PolarHBondContact O-N 3.31Å; E195-W197 HydrophobicContact CB-CE3 4.45Å; E195-W197 HydrophobicContact CB-CH2 3.42Å; E195-W197 VanDerWaalsContact CB-CH2 3.42Å; E195-W197 HydrophobicContact CB-CZ2 4.31Å; E195-W197 HydrophobicContact CB-CZ3 3.51Å; E195-W197 HydrophobicContact CG-CH2 4.31Å; E195-W197 WeakPolarHBondContact O-CZ3 3.1Å
196I97.5Very high92.8Very high0 Ų040 Ų400%019%0.189CC..EExtended strand (participates in β ladder)trans-126.9126.7-171.1-57.1172.1000107.8Y18 G19 F21 L42 V171 V174 T198 A204 L208Y18-I196 CarbonylContact C-O 3.52Å; Y18-I196 VanDerWaalsContact CA-O 3.3Å; Y18-I196 WeakPolarHBondContact CA-O 3.46Å; G19-I196 PolarHBondContact N-O 2.63Å; G19-I196 PolarHBondContact O-N 3.08Å; F21-I196 HydrophobicContact CD2-CD1 4.12Å; F21-I196 HydrophobicContact CE2-CD1 4.06Å; L42-I196 HydrophobicContact CD1-CD1 3.72Å; L42-I196 HydrophobicContact CD1-CG1 4.12Å; L42-I196 HydrophobicContact CD2-CD1 4.37Å; V171-I196 HydrophobicContact CG1-CG2 3.99Å; V171-I196 HydrophobicContact CG2-CG2 4.42Å; V174-I196 HydrophobicContact CG1-CG1 4.38Å; V174-I196 HydrophobicContact CG2-CG2 4.47Å; I196-T198 HydrophobicContact CG2-CG2 4.2Å; I196-A204 HydrophobicContact CB-CB 4.13Å; I196-A204 HydrophobicContact CG2-CB 4.2Å; I196-L208 HydrophobicContact CD1-CB 3.86Å; I196-L208 HydrophobicContact CD1-CD1 4.3Å; I196-L208 HydrophobicContact CD1-CD2 4.3Å; I196-L208 HydrophobicContact CD1-CG 4.38Å
197W96.7Very high93.6Very high70 Ų7032.5 Ų32.527%0.26516%0.161SC..EExtended strand (participates in β ladder)trans-112.5127.2173.4-65.1-98.1000109.8D17 Y18 V171 R172 K173 N175 E195D17-W197 CarbonylContact O-C 3.51Å; D17-W197 VanDerWaalsContact O-CA 3.24Å; D17-W197 WeakPolarHBondContact O-CA 3.44Å; Y18-W197 AromaticContact CD2-CD1 3.68Å; Y18-W197 AromaticContact CD2-CD2 3.89Å; Y18-W197 HydrophobicContact CD2-CD2 3.89Å; Y18-W197 AromaticContact CD2-CE2 3.45Å; Y18-W197 VanDerWaalsContact CD2-CE2 3.45Å; Y18-W197 HydrophobicContact CD2-CG 4.06Å; Y18-W197 AromaticContact CD2-CZ2 3.91Å; Y18-W197 HydrophobicContact CD2-CZ2 3.91Å; Y18-W197 AromaticContact CD2-NE1 3.3Å; Y18-W197 VanDerWaalsContact CD2-NE1 3.3Å; Y18-W197 HydrophobicContact CE2-CD2 4.18Å; Y18-W197 AromaticContact CE2-CE2 3.52Å; Y18-W197 AromaticContact CE2-CH2 4Å; Y18-W197 HydrophobicContact CE2-CH2 4Å; Y18-W197 AromaticContact CE2-CZ2 3.43Å; Y18-W197 HydrophobicContact CE2-CZ2 3.43Å; Y18-W197 VanDerWaalsContact CE2-CZ2 3.43Å; Y18-W197 AromaticContact CE2-NE1 3.77Å; V171-W197 CarbonylContact C-O 3.56Å; R172-W197 PolarHBondContact N-O 3.22Å; K173-W197 HydrophobicContact CB-CB 4.17Å; K173-W197 HydrophobicContact CB-CD2 4.31Å; K173-W197 HydrophobicContact CB-CE3 3.83Å; K173-W197 HydrophobicContact CB-CG 4.49Å; K173-W197 HydrophobicContact CD-CD2 4.31Å; K173-W197 HydrophobicContact CD-CE3 3.9Å; K173-W197 HydrophobicContact CD-CZ3 4.11Å; K173-W197 HydrophobicContact CG-CE3 3.83Å; K173-W197 HydrophobicContact CG-CZ3 4.17Å; K173-W197 PolarHBondContact N-O 3.32Å; K173-W197 PolarHBondContact O-N 3.49Å; N175-W197 HydrophobicContact CB-CH2 4.41Å; N175-W197 HydrophobicContact CB-CZ3 4.01Å; E195-W197 HydrophobicContact CB-CE3 4.45Å; E195-W197 HydrophobicContact CB-CH2 3.42Å; E195-W197 VanDerWaalsContact CB-CH2 3.42Å; E195-W197 HydrophobicContact CB-CZ2 4.31Å; E195-W197 HydrophobicContact CB-CZ3 3.51Å; E195-W197 HydrophobicContact CG-CH2 4.31Å; E195-W197 WeakPolarHBondContact O-CZ3 3.1Å
198T94.9Very high94.2Very high1 Ų129.2 Ų29.21%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-110.8175.1179.776.90000111.4D17 P170 V171 R172 I196 G200 I202 A204D17-T198 PolarHBondContact O-N 3.05Å; P170-T198 CarbonylContact O-C 3.6Å; P170-T198 WeakPolarHBondContact O-CA 3.49Å; P170-T198 WeakPolarHBondContact O-CB 3.45Å; V171-T198 HydrophobicContact CG2-CG2 4.36Å; R172-T198 PolarHBondContact NE-O 3.2Å; R172-T198 PolarHBondContact NH2-O 3.36Å; I196-T198 HydrophobicContact CG2-CG2 4.2Å; T198-G200 VanDerWaalsContact C-N 3.27Å; T198-G200 PolarHBondContact OG1-N 3.1Å; T198-G200 VanDerWaalsContact OG1-N 3.16Å; T198-I202 VanDerWaalsContact CB-O 3.3Å; T198-I202 WeakPolarHBondContact CB-O 3.47Å; T198-I202 HydrophobicContact CG2-CG2 4.23Å; T198-I202 WeakPolarHBondContact CG2-O 3.32Å; T198-I202 PolarHBondContact OG1-O 3.3Å; T198-A204 HydrophobicContact CG2-CB 4.39Å
199D91.8Very high94.6Very high30 Ų3029.2 Ų29.216%0.1615%0.149CC..  trans-861.416968.6-3000113.7A84 P170 S201A84-D199 HydrophobicContact CB-CB 3.95Å; P170-D199 PolarHBondContact O-N 3.49Å; D199-S201 VanDerWaalsContact C-N 3.34Å; D199-S201 WeakPolarHBondContact OD1-CB 3.49Å; D199-S201 PolarHBondContact OD1-N 3.19Å; D199-S201 PolarHBondContact OD1-OG 3.44Å
200G90Very high94.7Very high10 Ų1031.7 Ų31.710%0.10316%0.162CC..SBendtrans85.7-2.9-17600000114.7T198 I202T198-G200 VanDerWaalsContact C-N 3.27Å; T198-G200 PolarHBondContact OG1-N 3.1Å; T198-G200 VanDerWaalsContact OG1-N 3.16Å; G200-I202 VanDerWaalsContact C-N 3.32Å
201S90.8Very high94.8Very high14 Ų1431.2 Ų31.210%0.09816%0.16CC..SBendtrans-72.5-30.5176.166.80000112.4K86 L119 P170 D199K86-S201 PolarHBondContact NZ-O 3.26Å; L119-S201 VanDerWaalsContact CD1-N 3.3Å; P170-S201 WeakPolarHBondContact CB-OG 3.03Å; D199-S201 VanDerWaalsContact C-N 3.34Å; D199-S201 WeakPolarHBondContact OD1-CB 3.49Å; D199-S201 PolarHBondContact OD1-N 3.19Å; D199-S201 PolarHBondContact OD1-OG 3.44Å
202I92.4Very high94.9Very high23 Ų2330.4 Ų30.412%0.11816%0.163CC..SBendtrans-129.9140.2170.8-165.8167.9000108.6P170 T198 G200 E206 A207P170-I202 HydrophobicContact CB-CG2 3.7Å; P170-I202 HydrophobicContact CG-CG2 3.67Å; T198-I202 VanDerWaalsContact CB-O 3.3Å; T198-I202 WeakPolarHBondContact CB-O 3.47Å; T198-I202 HydrophobicContact CG2-CG2 4.23Å; T198-I202 WeakPolarHBondContact CG2-O 3.32Å; T198-I202 PolarHBondContact OG1-O 3.3Å; G200-I202 VanDerWaalsContact C-N 3.32Å; I202-E206 HydrophobicContact CD1-CB 3.97Å; I202-E206 HydrophobicContact CG1-CB 3.61Å; I202-A207 HydrophobicContact CD1-CB 4.11Å; I202-A207 HydrophobicContact CG1-CB 4.31Å; I202-A207 HydrophobicContact CG2-CB 3.98Å
203I93Very high94.8Very high54 Ų5435.9 Ų35.928%0.27719%0.186SC..  trans-75.5151.3171.959.5171.6000109.9Q205 E206 A207I203-Q205 PolarHBondContact O-N 3.27Å; I203-Q205 VanDerWaalsContact O-N 3.17Å; I203-E206 HydrophobicContact CD1-CG 3.85Å; I203-E206 HydrophobicContact CG1-CB 3.77Å; I203-E206 VanDerWaalsContact CG1-CD 3.47Å; I203-E206 HydrophobicContact CG1-CG 3.5Å; I203-E206 PolarHBondContact O-N 3.13Å; I203-E206 VanDerWaalsContact O-N 3.1Å; I203-A207 PolarHBondContact O-N 2.83Å
204A94.9Very high94.7Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-56.8-35.9-175.100000113.4F21 I196 T198 A207 L208F21-A204 HydrophobicContact CE2-CB 4.04Å; F21-A204 HydrophobicContact CZ-CB 4.25Å; I196-A204 HydrophobicContact CB-CB 4.13Å; I196-A204 HydrophobicContact CG2-CB 4.2Å; T198-A204 HydrophobicContact CG2-CB 4.39Å; A204-A207 PolarHBondContact O-N 2.9Å; A204-L208 WeakPolarHBondContact O-CB 3.25Å; A204-L208 PolarHBondContact O-N 3.17Å
205Q93.7Very high94.6Very high85 Ų8538.3 Ų38.340%0.39720%0.199SC..Hα-helixtrans-66.6-41.6177.8-179.6177.2-30.100112.9E14 F21 I203 S209E14-Q205 WeakPolarHBondContact OE1-CB 3.27Å; F21-Q205 HydrophobicContact CE1-CB 4.06Å; F21-Q205 HydrophobicContact CE1-CG 4.34Å; F21-Q205 HydrophobicContact CZ-CB 3.87Å; I203-Q205 PolarHBondContact O-N 3.27Å; I203-Q205 VanDerWaalsContact O-N 3.17Å; Q205-S209 WeakPolarHBondContact O-CB 3.48Å; Q205-S209 PolarHBondContact O-N 3.2Å; Q205-S209 PolarHBondContact O-OG 3.23Å
206E93Very high94.4Very high102 Ų10239.7 Ų39.748%0.47721%0.211SC..Hα-helixtrans-67.2-43.6176.2-76.3174.5-177.900110.5I202 I203 L208 S209 L210I202-E206 HydrophobicContact CD1-CB 3.97Å; I202-E206 HydrophobicContact CG1-CB 3.61Å; I203-E206 HydrophobicContact CD1-CG 3.85Å; I203-E206 HydrophobicContact CG1-CB 3.77Å; I203-E206 VanDerWaalsContact CG1-CD 3.47Å; I203-E206 HydrophobicContact CG1-CG 3.5Å; I203-E206 PolarHBondContact O-N 3.13Å; I203-E206 VanDerWaalsContact O-N 3.1Å; E206-L208 VanDerWaalsContact C-N 3.34Å; E206-L208 PolarHBondContact O-N 3.25Å; E206-S209 PolarHBondContact O-N 2.94Å; E206-L210 WeakPolarHBondContact O-CB 3.41Å; E206-L210 PolarHBondContact O-N 3.2Å
207A95Very high94.3Very high0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-57.5-47.2175.500000111.8L42 L46 V171 I202 I203 A204 L210 A211L42-A207 HydrophobicContact CD2-CB 3.95Å; L42-A207 WeakPolarHBondContact CD2-O 3.27Å; L46-A207 HydrophobicContact CD1-CB 3.73Å; V171-A207 HydrophobicContact CG2-CB 4.08Å; I202-A207 HydrophobicContact CD1-CB 4.11Å; I202-A207 HydrophobicContact CG1-CB 4.31Å; I202-A207 HydrophobicContact CG2-CB 3.98Å; I203-A207 PolarHBondContact O-N 2.83Å; A204-A207 PolarHBondContact O-N 2.9Å; A207-L210 PolarHBondContact O-N 3.25Å; A207-A211 WeakPolarHBondContact O-CB 3.43Å; A207-A211 PolarHBondContact O-N 3.26Å
208L95.6Very high94.2Very high14 Ų1446.5 Ų46.57%0.07325%0.245CC..Hα-helixtrans-62.3-44.4177.4178.453.3000111.9I9 F21 L38 M194 I196 A204 E206 A211 A212I9-L208 HydrophobicContact CD1-CD2 4.41Å; F21-L208 HydrophobicContact CB-CD2 4.08Å; F21-L208 HydrophobicContact CD1-CD2 4.09Å; F21-L208 HydrophobicContact CD2-CD2 3.66Å; F21-L208 HydrophobicContact CE2-CD2 4.13Å; F21-L208 HydrophobicContact CG-CD2 3.65Å; L38-L208 HydrophobicContact CD1-CD1 4.09Å; L38-L208 HydrophobicContact CD2-CD1 4.42Å; M194-L208 HydrophobicContact CE-CD1 3.23Å; M194-L208 HydrophobicContact CE-CD2 3.92Å; M194-L208 HydrophobicContact CE-CG 4.23Å; I196-L208 HydrophobicContact CD1-CB 3.86Å; I196-L208 HydrophobicContact CD1-CD1 4.3Å; I196-L208 HydrophobicContact CD1-CD2 4.3Å; I196-L208 HydrophobicContact CD1-CG 4.38Å; A204-L208 WeakPolarHBondContact O-CB 3.25Å; A204-L208 PolarHBondContact O-N 3.17Å; E206-L208 VanDerWaalsContact C-N 3.34Å; E206-L208 PolarHBondContact O-N 3.25Å; L208-A211 PolarHBondContact O-N 2.78Å; L208-A212 WeakPolarHBondContact O-CB 3.44Å; L208-A212 PolarHBondContact O-N 2.96Å
209S95.2Very high94.1Very high70 Ų7050.7 Ų50.749%0.4927%0.267SS..Hα-helixtrans-65.8-41.4-179.7-61.20000111.5Q205 E206 A212 K213Q205-S209 WeakPolarHBondContact O-CB 3.48Å; Q205-S209 PolarHBondContact O-N 3.2Å; Q205-S209 PolarHBondContact O-OG 3.23Å; E206-S209 PolarHBondContact O-N 2.94Å; S209-A212 PolarHBondContact O-N 3.48Å; S209-K213 WeakPolarHBondContact O-CB 3.31Å; S209-K213 PolarHBondContact O-N 2.78Å
210L94.8Very high94.1Very high62 Ų6252.7 Ų52.733%0.32528%0.278SS..Hα-helixtrans-67.1-40.9176.2-173.256.7000111.5L46 P47 E206 A207 K213 I214L46-L210 HydrophobicContact CD2-CB 4.05Å; L46-L210 HydrophobicContact CD2-CD2 4.02Å; L46-L210 HydrophobicContact CD2-CG 3.9Å; P47-L210 HydrophobicContact CG-CD2 3.93Å; E206-L210 WeakPolarHBondContact O-CB 3.41Å; E206-L210 PolarHBondContact O-N 3.2Å; A207-L210 PolarHBondContact O-N 3.25Å; L210-K213 PolarHBondContact O-N 2.98Å; L210-I214 HydrophobicContact CG-CD1 4.36Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.36Å; L210-I214 PolarHBondContact O-N 3.44Å
211A96.2Very high94.3Very high0 Ų057.9 Ų57.90%030%0.302CS..Hα-helixtrans-62.5-42.9174.300000112.2L38 I41 L42 L46 A207 L208 I214 L215L38-A211 HydrophobicContact CD2-CB 4.37Å; I41-A211 HydrophobicContact CB-CB 4.15Å; I41-A211 HydrophobicContact CG2-CB 3.65Å; L42-A211 HydrophobicContact CD2-CB 3.74Å; L42-A211 HydrophobicContact CG-CB 3.75Å; L46-A211 HydrophobicContact CD2-CB 4.24Å; A207-A211 WeakPolarHBondContact O-CB 3.43Å; A207-A211 PolarHBondContact O-N 3.26Å; L208-A211 PolarHBondContact O-N 2.78Å; A211-I214 PolarHBondContact O-N 3.1Å; A211-L215 PolarHBondContact O-N 3.17Å
212A96.2Very high94.4Very high36 Ų3663.8 Ų63.830%0.29833%0.326SS..Hα-helixtrans-62.8-42.4174.900000111.5L38 L208 S209 I214 L215 T216L38-A212 HydrophobicContact CD2-CB 4.02Å; L208-A212 WeakPolarHBondContact O-CB 3.44Å; L208-A212 PolarHBondContact O-N 2.96Å; S209-A212 PolarHBondContact O-N 3.48Å; A212-I214 PolarHBondContact O-N 2.87Å; A212-L215 WeakPolarHBondContact O-CB 3.42Å; A212-L215 PolarHBondContact O-N 3.41Å; A212-T216 PolarHBondContact O-N 2.83Å; A212-T216 PolarHBondContact O-OG1 3Å; A212-T216 VanDerWaalsContact O-OG1 3.05Å
213K96.2Very high94.2Very high117 Ų11765.6 Ų65.651%0.50934%0.338SS..Hα-helixtrans-59.7-47.6175.1-178.755.9167.4171.70111.5S209 L210 L215 T216 E217S209-K213 WeakPolarHBondContact O-CB 3.31Å; S209-K213 PolarHBondContact O-N 2.78Å; L210-K213 PolarHBondContact O-N 2.98Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 3.38Å; K213-T216 PolarHBondContact O-N 3.25Å; K213-E217 HydrophobicContact CD-CG 4.28Å; K213-E217 WeakPolarHBondContact CE-OE1 3.22Å; K213-E217 IonicContact NZ-OE1 2.91Å; K213-E217 PolarHBondContact NZ-OE1 3.16Å; K213-E217 WeakPolarHBondContact O-CG 3.46Å; K213-E217 PolarHBondContact O-N 3.4Å
214I94.7Very high94Very high33 Ų3366.5 Ų66.517%0.16934%0.343CS..Hα-helixtrans-56.9-45.6176.1-67.8165000110.5I41 L46 L210 A211 A212 E217 H218I41-I214 HydrophobicContact CG2-CB 4.01Å; I41-I214 HydrophobicContact CG2-CD1 4.08Å; I41-I214 HydrophobicContact CG2-CG2 3.99Å; L46-I214 HydrophobicContact CD2-CD1 4.14Å; L210-I214 HydrophobicContact CG-CD1 4.36Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.36Å; L210-I214 PolarHBondContact O-N 3.44Å; A211-I214 PolarHBondContact O-N 3.1Å; A212-I214 PolarHBondContact O-N 2.87Å; I214-E217 PolarHBondContact O-N 2.96Å; I214-H218 PolarHBondContact O-N 3.43Å; I214-H218 PolarHBondContact O-ND1 2.9Å
215L95.8Very high93.8Very high33 Ų3372.7 Ų72.717%0.17338%0.376CS..Hα-helixtrans-60.8-47.9178.2-176.555.8000111.8L38 I41 A211 A212 K213 E217 H218 L219L38-L215 HydrophobicContact CD2-CD2 4.31Å; I41-L215 HydrophobicContact CD1-CB 3.56Å; I41-L215 HydrophobicContact CD1-CD1 3.95Å; I41-L215 HydrophobicContact CD1-CG 4.19Å; A211-L215 PolarHBondContact O-N 3.17Å; A212-L215 WeakPolarHBondContact O-CB 3.42Å; A212-L215 PolarHBondContact O-N 3.41Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 3.38Å; L215-E217 PolarHBondContact O-N 2.89Å; L215-H218 PolarHBondContact O-N 2.92Å; L215-L219 HydrophobicContact CD1-CD1 4.28Å; L215-L219 HydrophobicContact CD1-CG 4.37Å; L215-L219 HydrophobicContact CG-CD1 4.04Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 3.45Å
216T94.2Very high93.5Very high80 Ų8071.9 Ų71.949%0.49138%0.377SS..Hα-helixtrans-61.3-41.9-179.5-59.20000112A212 K213 H218 L219 D220A212-T216 PolarHBondContact O-N 2.83Å; A212-T216 PolarHBondContact O-OG1 3Å; A212-T216 VanDerWaalsContact O-OG1 3.05Å; K213-T216 PolarHBondContact O-N 3.25Å; T216-H218 VanDerWaalsContact C-N 3.29Å; T216-H218 PolarHBondContact O-N 2.91Å; T216-L219 CarbonylContact O-C 3.49Å; T216-L219 PolarHBondContact O-N 3.29Å; T216-L219 VanDerWaalsContact O-N 3.1Å; T216-D220 PolarHBondContact O-N 3.35Å
217E94.9Very high93.1Very high95 Ų9573.2 Ų73.244%0.44439%0.387SS..Hα-helixtrans-60-38176.4-68.7-63.1144.500112.3K213 I214 L215K213-E217 HydrophobicContact CD-CG 4.28Å; K213-E217 WeakPolarHBondContact CE-OE1 3.22Å; K213-E217 IonicContact NZ-OE1 2.91Å; K213-E217 PolarHBondContact NZ-OE1 3.16Å; K213-E217 WeakPolarHBondContact O-CG 3.46Å; K213-E217 PolarHBondContact O-N 3.4Å; I214-E217 PolarHBondContact O-N 2.96Å; L215-E217 PolarHBondContact O-N 2.89Å
218H93.8Very high92.7Very high117 Ų11781.1 Ų81.154%0.54242%0.424SS..Hα-helixtrans-70.6-35.3175.4-71.777.4000112I214 L215 T216 F222I214-H218 PolarHBondContact O-N 3.43Å; I214-H218 PolarHBondContact O-ND1 2.9Å; L215-H218 PolarHBondContact O-N 2.92Å; T216-H218 VanDerWaalsContact C-N 3.29Å; T216-H218 PolarHBondContact O-N 2.91Å; H218-F222 WeakPolarHBondContact O-CD2 3.21Å; H218-F222 WeakPolarHBondContact O-CE2 3.33Å
219L94.1Very high92Very high89 Ų8982.6 Ų82.647%0.46644%0.439SS..Hα-helixtrans-72.6-30.4177.5-67.7175.6000112.4L215 T216 I221 F222 V223L215-L219 HydrophobicContact CD1-CD1 4.28Å; L215-L219 HydrophobicContact CD1-CG 4.37Å; L215-L219 HydrophobicContact CG-CD1 4.04Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 3.45Å; T216-L219 CarbonylContact O-C 3.49Å; T216-L219 PolarHBondContact O-N 3.29Å; T216-L219 VanDerWaalsContact O-N 3.1Å; L219-I221 PolarHBondContact O-N 2.9Å; L219-F222 WeakPolarHBondContact O-CB 3.4Å; L219-F222 PolarHBondContact O-N 3.33Å; L219-V223 PolarHBondContact O-N 3.23Å; L219-V223 VanDerWaalsContact O-N 3.13Å
220D92.5Very high91.3Very high73 Ų7385 Ų8539%0.3944%0.44SS..Hα-helixtrans-61.7-30-178.1-161.556.3000112.5T216 F222 V223 N224T216-D220 PolarHBondContact O-N 3.35Å; D220-F222 PolarHBondContact O-N 3.25Å; D220-V223 PolarHBondContact O-N 2.76Å; D220-N224 PolarHBondContact O-N 3Å; D220-N224 PolarHBondContact O-ND2 3.37Å; D220-N224 PolarHBondContact OD2-ND2 2.93Å
221I92.7Very high90.7Very high119 Ų11988 Ų8861%0.6146%0.457SS*.Hα-helixtrans-58.6-38173.2-56.1171.9000111L219L219-I221 PolarHBondContact O-N 2.9Å
222F92.7Very high89.9Confident138 Ų13889.3 Ų89.361%0.60547%0.467SS*.Hα-helixtrans-79.9-35.4178.8-60.2-84.8000112.2H218 L219 D220 N224 L225H218-F222 WeakPolarHBondContact O-CD2 3.21Å; H218-F222 WeakPolarHBondContact O-CE2 3.33Å; L219-F222 WeakPolarHBondContact O-CB 3.4Å; L219-F222 PolarHBondContact O-N 3.33Å; D220-F222 PolarHBondContact O-N 3.25Å; F222-N224 VanDerWaalsContact C-N 3.28Å; F222-N224 PolarHBondContact O-N 2.91Å; F222-L225 HydrophobicContact CD1-CD1 4.36Å; F222-L225 WeakPolarHBondContact O-CB 3.44Å; F222-L225 WeakPolarHBondContact O-CG 3.3Å; F222-L225 PolarHBondContact O-N 3.38Å
223V89.2Confident88.9Confident60 Ų6096 Ų9636%0.36449%0.492SS..Hα-helixtrans-62.3-38.8176.9175.70000111L219 D220 L225L219-V223 PolarHBondContact O-N 3.23Å; L219-V223 VanDerWaalsContact O-N 3.13Å; D220-V223 PolarHBondContact O-N 2.76Å; V223-L225 PolarHBondContact O-N 3.3Å
224N88.8Confident88.1Confident73 Ų7393.6 Ų93.639%0.3948%0.484SS..THydrogen-bonded Turntrans-77.25.7-179.6-70.2-62.1000114.5D220 F222 T226 K230D220-N224 PolarHBondContact O-N 3Å; D220-N224 PolarHBondContact O-ND2 3.37Å; D220-N224 PolarHBondContact OD2-ND2 2.93Å; F222-N224 VanDerWaalsContact C-N 3.28Å; F222-N224 PolarHBondContact O-N 2.91Å; N224-T226 VanDerWaalsContact C-N 3.32Å; N224-K230 PolarHBondContact OD1-NZ 3.46Å
225L90.5Very high87.3Confident131 Ų13198 Ų9869%0.68651%0.506SS*.THydrogen-bonded Turntrans-68.7-29.7175.4-73.3172.1000112.8F222 V223F222-L225 HydrophobicContact CD1-CD1 4.36Å; F222-L225 WeakPolarHBondContact O-CB 3.44Å; F222-L225 WeakPolarHBondContact O-CG 3.3Å; F222-L225 PolarHBondContact O-N 3.38Å; V223-L225 PolarHBondContact O-N 3.3Å
226T87.3Confident86.1Confident68 Ų6898.8 Ų98.842%0.41751%0.512SS..  trans-140.8142.9178.667.10000112N224 E228 A229 K230N224-T226 VanDerWaalsContact C-N 3.32Å; T226-E228 PolarHBondContact O-N 3Å; T226-A229 PolarHBondContact O-N 3.05Å; T226-A229 VanDerWaalsContact OG1-CB 3.31Å; T226-A229 WeakPolarHBondContact OG1-CB 3.21Å; T226-A229 PolarHBondContact OG1-N 3.44Å; T226-K230 PolarHBondContact O-N 3.35Å
227D85.6Confident84.6Confident129 Ų129101.2 Ų101.269%0.6952%0.517SS*.Hα-helixtrans-62.9-29.2173.9-70.3-35.8000111.9K230 N231D227-K230 PolarHBondContact O-N 2.84Å; D227-N231 WeakPolarHBondContact O-CB 3.45Å; D227-N231 PolarHBondContact O-N 3.03Å; D227-N231 VanDerWaalsContact O-N 3.1Å; D227-N231 PolarHBondContact O-ND2 3.5Å
228E84.9Confident82.8Confident166 Ų166102.3 Ų102.378%0.77652%0.521SS*.Hα-helixtrans-63.1-45.5175.9-65.8173.8169.100111.8T226 A232T226-E228 PolarHBondContact O-N 3Å; E228-A232 WeakPolarHBondContact O-CB 3.27Å; E228-A232 PolarHBondContact O-N 3.19Å
229A81.2Confident80.7Confident46 Ų46104.9 Ų104.938%0.3853%0.533SS..Hα-helixtrans-68.5-39.5178.500000111.5T226 N231 A232T226-A229 PolarHBondContact O-N 3.05Å; T226-A229 VanDerWaalsContact OG1-CB 3.31Å; T226-A229 WeakPolarHBondContact OG1-CB 3.21Å; T226-A229 PolarHBondContact OG1-N 3.44Å; A229-N231 VanDerWaalsContact C-N 3.34Å; A229-N231 PolarHBondContact O-N 3.1Å; A229-A232 PolarHBondContact O-N 2.91Å
230K80.9Confident78.7Confident121 Ų121103.7 Ų103.753%0.52653%0.525SS..Hα-helixtrans-63.9-36.3179.8-173.6171.8-175.31590113.6N224 T226 D227N224-K230 PolarHBondContact OD1-NZ 3.46Å; T226-K230 PolarHBondContact O-N 3.35Å; D227-K230 PolarHBondContact O-N 2.84Å
231N82.6Confident76.9Confident125 Ų125103.7 Ų103.767%0.66853%0.528SS*.THydrogen-bonded Turntrans-97.83.2-178-61.7-54.9000113.4D227 A229 E233D227-N231 WeakPolarHBondContact O-CB 3.45Å; D227-N231 PolarHBondContact O-N 3.03Å; D227-N231 VanDerWaalsContact O-N 3.1Å; D227-N231 PolarHBondContact O-ND2 3.5Å; A229-N231 VanDerWaalsContact C-N 3.34Å; A229-N231 PolarHBondContact O-N 3.1Å; N231-E233 PolarHBondContact O-N 3.28Å
232A80Confident75.2Confident26 Ų26105.9 Ų105.922%0.21554%0.535CS..  trans-74.9116178.500000111M1 E228 A229 I234M1-A232 HydrophobicContact CE-CB 3.75Å; M1-A232 HydrophobicContact SD-CB 3.91Å; E228-A232 WeakPolarHBondContact O-CB 3.27Å; E228-A232 PolarHBondContact O-N 3.19Å; A229-A232 PolarHBondContact O-N 2.91Å; A232-I234 HydrophobicContact CB-CD1 4.33Å; A232-I234 HydrophobicContact CB-CG1 3.97Å; A232-I234 PolarHBondContact O-N 3.36Å
233E74.3Confident73.7Confident176 Ų176105.5 Ų105.582%0.82253%0.533SS*.  trans-80.8105.4165.2-70.1-175.5176.700109.2N231N231-E233 PolarHBondContact O-N 3.28Å
234I79.1Confident72.5Confident68 Ų68107.5 Ų107.535%0.34954%0.539SS..  trans-104.7-27.3-175.3-38.8-177.6000112.1M1 F4 A232M1-I234 HydrophobicContact SD-CG1 4.23Å; F4-I234 HydrophobicContact CD2-CB 4.43Å; F4-I234 HydrophobicContact CD2-CG2 3.35Å; F4-I234 HydrophobicContact CE2-CG2 3.47Å; F4-I234 VanDerWaalsContact CE2-CG2 3.47Å; F4-I234 PolarHBondContact N-O 3.49Å; A232-I234 HydrophobicContact CB-CD1 4.33Å; A232-I234 HydrophobicContact CB-CG1 3.97Å; A232-I234 PolarHBondContact O-N 3.36Å
235M77.9Confident71.5Confident125 Ų125109.3 Ų109.362%0.61654%0.543SS*.EExtended strand (participates in β ladder)trans-99.4129.7-179.4-68.5-172.6172.700110.9
236V69.8Low70.6Confident49 Ų49105.5 Ų105.530%0.29752%0.523SS..EExtended strand (participates in β ladder)trans-120.8130.5175179.10000109.7E3 F4 K6 K238E3-V236 HydrophobicContact CB-CB 4.17Å; E3-V236 HydrophobicContact CB-CG2 3.7Å; E3-V236 HydrophobicContact CG-CG2 3.56Å; E3-V236 VanDerWaalsContact OE2-CG2 3.32Å; E3-V236 WeakPolarHBondContact OE2-CG2 3.16Å; F4-V236 PolarHBondContact O-N 3.3Å; K6-V236 PolarHBondContact N-O 2.82Å; V236-K238 PolarHBondContact O-N 2.94Å
237E63.4Low70.1Confident131 Ų131104.1 Ų104.161%0.61251%0.512SS*.  trans-74103.8165.4-75.1-177.9-174.300107K6 E239K6-E237 HydrophobicContact CB-CG 4.09Å; K6-E237 HydrophobicContact CD-CG 3.5Å; K6-E237 VanDerWaalsContact CD-OE1 3.3Å; K6-E237 WeakPolarHBondContact CD-OE1 3.31Å; K6-E237 HydrophobicContact CG-CG 4.46Å; K6-E237 IonicContact NZ-OE1 3Å; K6-E237 PolarHBondContact NZ-OE1 3.04Å; E237-E239 PolarHBondContact O-N 3.03Å
238K57.5Low69.5Low119 Ų119103 Ų10352%0.51750%0.503SS..  trans-64.1108.7163.9-75-173.4-167.81510106.8E5 V236 E240E5-K238 HydrophobicContact CG-CD 4.42Å; E5-K238 IonicContact OE2-NZ 2.69Å; E5-K238 PolarHBondContact OE2-NZ 3.25Å; V236-K238 PolarHBondContact O-N 2.94Å; K238-E240 PolarHBondContact O-N 2.86Å
239E49.8Very low69.3Low171 Ų17197.5 Ų97.580%0.79948%0.478SS*.  trans-59.993.9154.5-69.6-173.1168.300105.6E237 T241E237-E239 PolarHBondContact O-N 3.03Å; E239-T241 PolarHBondContact O-N 3.38Å
240E51.1Low69.4Low64 Ų6497.8 Ų97.830%0.29948%0.475SS..  trans-52100.5161.7-71.2171.1130.100104.7R8 K238 Q242 K245R8-E240 IonicContact CZ-OE2 2.74Å; R8-E240 IonicContact NH1-OE2 2.61Å; R8-E240 IonicContact NH2-OE2 2.68Å; R8-E240 PolarHBondContact NH2-OE2 2.91Å; R8-E240 VanDerWaalsContact NH2-OE2 3.09Å; K238-E240 PolarHBondContact O-N 2.86Å; E240-Q242 PolarHBondContact O-N 3.35Å; E240-K245 HydrophobicContact CB-CG 4.27Å; E240-K245 WeakPolarHBondContact OE2-CE 3.35Å; E240-K245 IonicContact OE2-NZ 2.88Å; E240-K245 PolarHBondContact OE2-NZ 3.13Å
241T54.6Low69.6Low73 Ų7392.2 Ų92.245%0.44845%0.451SS..  trans-55.6138.7-178.345.40000106.1E239 K243 E244 K245E239-T241 PolarHBondContact O-N 3.38Å; T241-K243 CarbonylContact O-C 3.59Å; T241-K243 PolarHBondContact O-N 2.89Å; T241-E244 PolarHBondContact N-OE2 2.6Å; T241-E244 PolarHBondContact O-N 2.58Å; T241-E244 WeakPolarHBondContact OG1-CG 3.38Å; T241-E244 PolarHBondContact OG1-OE2 2.5Å; T241-K245 PolarHBondContact O-N 2.72Å
242Q57.5Low69.5Low164 Ų16492 Ų9277%0.76645%0.446SS*.Hα-helixtrans-47.5-29.6-179.2-74.6179-13.900112.4E240 M246E240-Q242 PolarHBondContact O-N 3.35Å; Q242-M246 WeakPolarHBondContact O-CB 3.45Å; Q242-M246 VanDerWaalsContact O-CG 3.23Å; Q242-M246 WeakPolarHBondContact O-CG 3.32Å; Q242-M246 PolarHBondContact O-N 3.2Å
243K61.8Low69.5Low130 Ų13096 Ų9657%0.56546%0.46SS*.Hα-helixtrans-59.6-45171-75.4-173.6174-179.40114.8T241 M246 L247T241-K243 CarbonylContact O-C 3.59Å; T241-K243 PolarHBondContact O-N 2.89Å; K243-M246 PolarHBondContact O-N 3.33Å; K243-L247 WeakPolarHBondContact O-CB 3.26Å; K243-L247 WeakPolarHBondContact O-CD1 3.37Å; K243-L247 WeakPolarHBondContact O-CG 3.5Å; K243-L247 PolarHBondContact O-N 3.1Å
244E65Low69.8Low103 Ų10388.1 Ų88.148%0.48142%0.424SS..Hα-helixtrans-64.2-46178.9-75.5174.3151.900111.2T241 M246 L247 E248T241-E244 PolarHBondContact N-OE2 2.6Å; T241-E244 PolarHBondContact O-N 2.58Å; T241-E244 WeakPolarHBondContact OG1-CG 3.38Å; T241-E244 PolarHBondContact OG1-OE2 2.5Å; E244-M246 VanDerWaalsContact C-N 3.3Å; E244-M246 PolarHBondContact O-N 2.93Å; E244-L247 WeakPolarHBondContact O-CB 3.38Å; E244-L247 PolarHBondContact O-N 3.14Å; E244-L247 VanDerWaalsContact O-N 3.07Å; E244-E248 PolarHBondContact O-N 2.88Å; E244-E248 VanDerWaalsContact O-N 3.12Å
245K67.1Low69.9Low110 Ų11090.8 Ų90.848%0.47844%0.439SS..Hα-helixtrans-56.8-44.5172.7-78.4-172.9178.5175.60112.3E240 T241 L247 E248 M249E240-K245 HydrophobicContact CB-CG 4.27Å; E240-K245 WeakPolarHBondContact OE2-CE 3.35Å; E240-K245 IonicContact OE2-NZ 2.88Å; E240-K245 PolarHBondContact OE2-NZ 3.13Å; T241-K245 PolarHBondContact O-N 2.72Å; K245-L247 VanDerWaalsContact C-N 3.28Å; K245-L247 PolarHBondContact O-N 3.43Å; K245-E248 PolarHBondContact O-N 3.23Å; K245-M249 WeakPolarHBondContact O-CG 3.4Å; K245-M249 PolarHBondContact O-N 3.27Å
246M71.8Confident70.1Confident52 Ų5285.8 Ų85.826%0.25641%0.414SS..Hα-helixtrans-65.5-29.8178.1-74.9179.615800113.2Q242 K243 E244 V272 L304 L306Q242-M246 WeakPolarHBondContact O-CB 3.45Å; Q242-M246 VanDerWaalsContact O-CG 3.23Å; Q242-M246 WeakPolarHBondContact O-CG 3.32Å; Q242-M246 PolarHBondContact O-N 3.2Å; K243-M246 PolarHBondContact O-N 3.33Å; E244-M246 VanDerWaalsContact C-N 3.3Å; E244-M246 PolarHBondContact O-N 2.93Å; M246-V272 WeakPolarHBondContact O-CB 3.26Å; M246-V272 WeakPolarHBondContact O-CG1 3.23Å; M246-L304 HydrophobicContact CE-CB 4.17Å; M246-L304 HydrophobicContact CE-CD2 3.6Å; M246-L304 HydrophobicContact CE-CG 4.49Å; M246-L304 HydrophobicContact CG-CD2 4.4Å; M246-L304 HydrophobicContact SD-CB 3.89Å; M246-L304 HydrophobicContact SD-CD2 4.2Å; M246-L306 HydrophobicContact CB-CD1 3.99Å
247L75.6Confident70.9Confident38 Ų3885.5 Ų85.520%0.19941%0.414CS..Hα-helixtrans-74.1-32.9177.2-73.2164.7000112K243 E244 K245 Q273 T276 L306K243-L247 WeakPolarHBondContact O-CB 3.26Å; K243-L247 WeakPolarHBondContact O-CD1 3.37Å; K243-L247 WeakPolarHBondContact O-CG 3.5Å; K243-L247 PolarHBondContact O-N 3.1Å; E244-L247 WeakPolarHBondContact O-CB 3.38Å; E244-L247 PolarHBondContact O-N 3.14Å; E244-L247 VanDerWaalsContact O-N 3.07Å; K245-L247 VanDerWaalsContact C-N 3.28Å; K245-L247 PolarHBondContact O-N 3.43Å; L247-Q273 HydrophobicContact CB-CB 4.07Å; L247-Q273 HydrophobicContact CB-CG 4.44Å; L247-Q273 HydrophobicContact CD2-CB 4.25Å; L247-Q273 HydrophobicContact CD2-CG 4.36Å; L247-Q273 VanDerWaalsContact O-CB 3.27Å; L247-Q273 WeakPolarHBondContact O-CB 3.49Å; L247-Q273 PolarHBondContact O-N 3.08Å; L247-T276 HydrophobicContact CD2-CG2 4.02Å; L247-T276 WeakPolarHBondContact CD2-OG1 3.34Å; L247-L306 HydrophobicContact CD2-CD1 4.22Å; L247-L306 HydrophobicContact CD2-CD2 4.3Å; L247-L306 HydrophobicContact CG-CD1 4.5Å
248E73.5Confident71.9Confident107 Ų10784.7 Ų84.750%0.542%0.418SS..Hα-helixtrans-79-17.3179.5-68.5-171.4166.900114.1E244 K245E244-E248 PolarHBondContact O-N 2.88Å; E244-E248 VanDerWaalsContact O-N 3.12Å; K245-E248 PolarHBondContact O-N 3.23Å
249M80.6Confident73.2Confident50 Ų5086.1 Ų86.125%0.24642%0.42CS..SBendtrans-52142174.9-71.5178.46900111.4K245 E253 T271 V272K245-M249 WeakPolarHBondContact O-CG 3.4Å; K245-M249 PolarHBondContact O-N 3.27Å; M249-E253 HydrophobicContact CE-CB 3.68Å; M249-T271 WeakPolarHBondContact O-CA 3.45Å; M249-V272 HydrophobicContact CB-CG2 3.79Å; M249-V272 WeakPolarHBondContact O-CG2 3.48Å; M249-V272 PolarHBondContact O-N 3.47Å
250T84Confident74.9Confident52 Ų5278 Ų7832%0.31938%0.382SS..BIsolated β-bridgetrans-76.2153.2174.665.20000110.4E252 E253T250-E252 PolarHBondContact O-N 3.05Å; T250-E252 VanDerWaalsContact O-N 3.1Å; T250-E253 PolarHBondContact N-OE1 3.41Å; T250-E253 PolarHBondContact O-N 3.48Å; T250-E253 VanDerWaalsContact O-N 3.07Å; T250-E253 PolarHBondContact OG1-OE1 2.95Å
251I83.9Confident76.6Confident3 Ų377.1 Ų77.12%0.01538%0.377CS..THydrogen-bonded Turntrans-64.2-13.7173.861.1157.3000113.1E253 L254 Y261 L264 K265 I269 N270I251-E253 VanDerWaalsContact C-N 3.32Å; I251-L254 HydrophobicContact CB-CD1 4.48Å; I251-L254 HydrophobicContact CG2-CD1 4.3Å; I251-Y261 HydrophobicContact CD1-CD2 3.87Å; I251-Y261 HydrophobicContact CD1-CE2 3.92Å; I251-Y261 HydrophobicContact CG1-CD2 4.22Å; I251-Y261 HydrophobicContact CG1-CE2 4.09Å; I251-L264 HydrophobicContact CD1-CB 3.75Å; I251-L264 HydrophobicContact CG2-CD1 4.46Å; I251-K265 HydrophobicContact CD1-CB 4.33Å; I251-I269 WeakPolarHBondContact CD1-O 3.24Å; I251-I269 HydrophobicContact CG2-CG2 4.36Å; I251-N270 WeakPolarHBondContact CG1-O 3.32Å; I251-N270 PolarHBondContact N-O 3.41Å
252E80.9Confident78.1Confident120 Ų12076.8 Ų76.856%0.56137%0.372SS*.THydrogen-bonded Turntrans-69.8-31.9174.3-69.3-179.7-174.200111.2T250 Y261 K265T250-E252 PolarHBondContact O-N 3.05Å; T250-E252 VanDerWaalsContact O-N 3.1Å; E252-Y261 HydrophobicContact CB-CE2 4.37Å; E252-Y261 VanDerWaalsContact CD-OH 3.32Å; E252-Y261 HydrophobicContact CG-CD2 4.36Å; E252-Y261 HydrophobicContact CG-CE2 3.32Å; E252-Y261 WeakPolarHBondContact CG-OH 3.2Å; E252-Y261 PolarHBondContact OE1-OH 3.44Å; E252-K265 IonicContact OE1-NZ 3.96Å; E252-K265 PolarHBondContact OE1-NZ 2.93Å
253E80.4Confident79.4Confident111 Ų11169.3 Ų69.352%0.51934%0.338SS..THydrogen-bonded Turntrans-81.3-14.3179.4-66.9159.8-125.800113.4M249 T250 I251 D255M249-E253 HydrophobicContact CE-CB 3.68Å; T250-E253 PolarHBondContact N-OE1 3.41Å; T250-E253 PolarHBondContact O-N 3.48Å; T250-E253 VanDerWaalsContact O-N 3.07Å; T250-E253 PolarHBondContact OG1-OE1 2.95Å; I251-E253 VanDerWaalsContact C-N 3.32Å; E253-D255 PolarHBondContact O-N 2.92Å
254L80.4Confident80.6Confident11 Ų1163.1 Ų63.16%0.05831%0.311CS..THydrogen-bonded Turntrans-72-4.9-179.2-80.4176.9000114.6I251 L256 V272 L275 L304I251-L254 HydrophobicContact CB-CD1 4.48Å; I251-L254 HydrophobicContact CG2-CD1 4.3Å; L254-L256 VanDerWaalsContact C-N 3.3Å; L254-L256 HydrophobicContact CB-CD1 4.08Å; L254-L256 HydrophobicContact CB-CG 3.9Å; L254-L256 HydrophobicContact CD1-CD1 4.1Å; L254-L256 PolarHBondContact O-N 3.13Å; L254-V272 HydrophobicContact CD1-CG2 3.82Å; L254-V272 HydrophobicContact CD2-CG2 3.95Å; L254-V272 HydrophobicContact CG-CG2 3.81Å; L254-L275 HydrophobicContact CD1-CD2 3.92Å; L254-L304 HydrophobicContact CD2-CD1 3.36Å; L254-L304 HydrophobicContact CD2-CG 4.46Å
255D81Confident81.6Confident124 Ų12462.7 Ų62.766%0.66331%0.307SS*.  trans48.651.6-178.6-168.938.9000112.2E253 K300E253-D255 PolarHBondContact O-N 2.92Å; D255-K300 VanDerWaalsContact O-CE 3.32Å; D255-K300 WeakPolarHBondContact O-CE 3.4Å; D255-K300 PolarHBondContact O-NZ 2.8Å; D255-K300 IonicContact OD2-NZ 2.6Å
256L83.4Confident82.4Confident20 Ų2066 Ų6611%0.10532%0.317CS..  trans-85.3151.9176.9-69.1169.4000110.6L254 L264 E296 V297 K300L254-L256 VanDerWaalsContact C-N 3.3Å; L254-L256 HydrophobicContact CB-CD1 4.08Å; L254-L256 HydrophobicContact CB-CG 3.9Å; L254-L256 HydrophobicContact CD1-CD1 4.1Å; L254-L256 PolarHBondContact O-N 3.13Å; L256-L264 HydrophobicContact CD1-CD1 3.52Å; L256-E296 HydrophobicContact CD2-CG 4.19Å; L256-V297 HydrophobicContact CD1-CG2 4.4Å; L256-V297 HydrophobicContact CD2-CG2 3.99Å; L256-K300 HydrophobicContact CD2-CB 4.25Å; L256-K300 HydrophobicContact CD2-CG 3.91Å
257S85.7Confident83Confident42 Ų4265.9 Ų65.929%0.29432%0.324SS..  trans-54.1145.5170.670.40000111.8R259 S260 Y261 E296S257-R259 CarbonylContact O-C 3.6Å; S257-R259 PolarHBondContact O-N 3.44Å; S257-S260 PolarHBondContact O-N 3.02Å; S257-S260 PolarHBondContact OG-N 3.29Å; S257-S260 PolarHBondContact OG-OG 2.59Å; S257-S260 VanDerWaalsContact OG-OG 3.1Å; S257-Y261 PolarHBondContact O-N 2.79Å; S257-E296 WeakPolarHBondContact CB-OE1 3.47Å; S257-E296 WeakPolarHBondContact CB-OE2 3.34Å; S257-E296 PolarHBondContact N-OE1 2.79Å; S257-E296 PolarHBondContact OG-OE1 3.01Å; S257-E296 PolarHBondContact OG-OE2 2.86Å
258V85Confident83.4Confident114 Ų11466.1 Ų66.169%0.69134%0.336SS*.Hα-helixtrans-50.5-31.4179.3179.70000111.8N262V258-N262 VanDerWaalsContact CG1-ND2 3.34Å; V258-N262 WeakPolarHBondContact CG1-ND2 3.5Å; V258-N262 VanDerWaalsContact O-CB 3.27Å; V258-N262 WeakPolarHBondContact O-CB 3.31Å; V258-N262 VanDerWaalsContact O-CG 3.3Å; V258-N262 PolarHBondContact O-N 3.01Å; V258-N262 VanDerWaalsContact O-N 3.14Å; V258-N262 PolarHBondContact O-ND2 2.82Å
259R84.2Confident84.1Confident149 Ų14961.2 Ų61.256%0.56231%0.313SS*.Hα-helixtrans-69-54.2175.2-175.5-179.7-178.4173.52.4111.8S257 N262 C263 N288S257-R259 CarbonylContact O-C 3.6Å; S257-R259 PolarHBondContact O-N 3.44Å; R259-N262 PolarHBondContact O-N 2.81Å; R259-C263 WeakPolarHBondContact O-CB 3.39Å; R259-C263 PolarHBondContact O-N 2.79Å; R259-C263 PolarHBondContact O-SG 2.89Å; R259-N288 PolarHBondContact NH2-O 2.93Å
260S86Confident84.3Confident0 Ų062.6 Ų62.60%032%0.322CS..Hα-helixtrans-61.3-46.8-178.5-610000110.6S257 N262 C263 L264 S293 E296S257-S260 PolarHBondContact O-N 3.02Å; S257-S260 PolarHBondContact OG-N 3.29Å; S257-S260 PolarHBondContact OG-OG 2.59Å; S257-S260 VanDerWaalsContact OG-OG 3.1Å; S260-N262 PolarHBondContact O-N 2.82Å; S260-C263 PolarHBondContact O-N 3.41Å; S260-L264 WeakPolarHBondContact O-CG 3.39Å; S260-L264 PolarHBondContact O-N 3.37Å; S260-S293 WeakPolarHBondContact OG-CA 3.36Å; S260-S293 WeakPolarHBondContact OG-CB 3.46Å; S260-S293 PolarHBondContact OG-OG 2.75Å; S260-S293 VanDerWaalsContact OG-OG 3.09Å; S260-E296 WeakPolarHBondContact CB-OE2 3.21Å; S260-E296 PolarHBondContact OG-OE2 3.16Å
261Y87Confident84.4Confident47 Ų4761.8 Ų61.818%0.18432%0.317CS..Hα-helixtrans-54.4-53.3174.4170.9-102.3000112.8I251 E252 S257 C263 L264 K265I251-Y261 HydrophobicContact CD1-CD2 3.87Å; I251-Y261 HydrophobicContact CD1-CE2 3.92Å; I251-Y261 HydrophobicContact CG1-CD2 4.22Å; I251-Y261 HydrophobicContact CG1-CE2 4.09Å; E252-Y261 HydrophobicContact CB-CE2 4.37Å; E252-Y261 VanDerWaalsContact CD-OH 3.32Å; E252-Y261 HydrophobicContact CG-CD2 4.36Å; E252-Y261 HydrophobicContact CG-CE2 3.32Å; E252-Y261 WeakPolarHBondContact CG-OH 3.2Å; E252-Y261 PolarHBondContact OE1-OH 3.44Å; S257-Y261 PolarHBondContact O-N 2.79Å; Y261-C263 VanDerWaalsContact C-N 3.27Å; Y261-C263 PolarHBondContact O-N 2.92Å; Y261-L264 PolarHBondContact O-N 3.44Å; Y261-K265 HydrophobicContact CE1-CD 4.1Å; Y261-K265 HydrophobicContact CE2-CD 4.23Å; Y261-K265 WeakPolarHBondContact O-CB 3.33Å; Y261-K265 PolarHBondContact O-N 2.82Å; Y261-K265 VanDerWaalsContact OH-CD 3.27Å; Y261-K265 WeakPolarHBondContact OH-CD 3.48Å; Y261-K265 PolarHBondContact OH-NZ 3.4Å
262N86.1Confident84.4Confident65 Ų6561.6 Ų61.635%0.34832%0.316SS..Hα-helixtrans-66.1-28.9-179.9-79.9-52.1000113.1V258 R259 S260 R266V258-N262 VanDerWaalsContact CG1-ND2 3.34Å; V258-N262 WeakPolarHBondContact CG1-ND2 3.5Å; V258-N262 VanDerWaalsContact O-CB 3.27Å; V258-N262 WeakPolarHBondContact O-CB 3.31Å; V258-N262 VanDerWaalsContact O-CG 3.3Å; V258-N262 PolarHBondContact O-N 3.01Å; V258-N262 VanDerWaalsContact O-N 3.14Å; V258-N262 PolarHBondContact O-ND2 2.82Å; R259-N262 PolarHBondContact O-N 2.81Å; S260-N262 PolarHBondContact O-N 2.82Å; N262-R266 WeakPolarHBondContact O-CB 3.47Å; N262-R266 WeakPolarHBondContact O-CD 3.47Å; N262-R266 WeakPolarHBondContact O-CG 3.35Å; N262-R266 PolarHBondContact O-N 3.02Å
263C85.2Confident84.5Confident7 Ų759.5 Ų59.55%0.04731%0.306CS..Hα-helixtrans-69.3-45174.5-67.20000111R259 S260 Y261 R266 A267 V286 L289R259-C263 WeakPolarHBondContact O-CB 3.39Å; R259-C263 PolarHBondContact O-N 2.79Å; R259-C263 PolarHBondContact O-SG 2.89Å; S260-C263 PolarHBondContact O-N 3.41Å; Y261-C263 VanDerWaalsContact C-N 3.27Å; Y261-C263 PolarHBondContact O-N 2.92Å; C263-R266 PolarHBondContact O-N 3.38Å; C263-A267 PolarHBondContact O-N 3.19Å; C263-A267 VanDerWaalsContact O-N 3.08Å; C263-V286 HydrophobicContact CB-CG1 4.37Å; C263-L289 HydrophobicContact CB-CD1 3.83Å
264L86.1Confident84.6Confident0 Ų057.9 Ų57.90%030%0.298CS..Hα-helixtrans-63.9-48.1177.3-67.7176.1000111.9I251 L256 S260 Y261 R266 A267 G268 I269 L275 M283 V297I251-L264 HydrophobicContact CD1-CB 3.75Å; I251-L264 HydrophobicContact CG2-CD1 4.46Å; L256-L264 HydrophobicContact CD1-CD1 3.52Å; S260-L264 WeakPolarHBondContact O-CG 3.39Å; S260-L264 PolarHBondContact O-N 3.37Å; Y261-L264 PolarHBondContact O-N 3.44Å; L264-R266 VanDerWaalsContact C-N 3.28Å; L264-R266 PolarHBondContact O-N 3.04Å; L264-A267 CarbonylContact O-C 3.57Å; L264-A267 WeakPolarHBondContact O-CA 3.4Å; L264-A267 WeakPolarHBondContact O-CB 3.27Å; L264-A267 PolarHBondContact O-N 3.5Å; L264-G268 PolarHBondContact O-N 2.93Å; L264-I269 CarbonylContact C-O 3.43Å; L264-I269 HydrophobicContact CB-CB 4.37Å; L264-I269 HydrophobicContact CD2-CB 4.48Å; L264-I269 HydrophobicContact CD2-CD1 3.91Å; L264-I269 PolarHBondContact O-N 2.81Å; L264-L275 HydrophobicContact CD1-CD1 4.29Å; L264-L275 HydrophobicContact CD2-CD1 3.7Å; L264-M283 HydrophobicContact CD2-CE 3.55Å; L264-M283 HydrophobicContact CD2-SD 4.46Å; L264-V297 HydrophobicContact CD1-CG2 4.26Å
265K85.6Confident84.9Confident94 Ų9457.3 Ų57.341%0.40930%0.296SS..Hα-helixtrans-60.1-37.8178.9-166.5158.3-175.9164.20112.1I251 E252 Y261 A267 G268I251-K265 HydrophobicContact CD1-CB 4.33Å; E252-K265 IonicContact OE1-NZ 3.96Å; E252-K265 PolarHBondContact OE1-NZ 2.93Å; Y261-K265 HydrophobicContact CE1-CD 4.1Å; Y261-K265 HydrophobicContact CE2-CD 4.23Å; Y261-K265 WeakPolarHBondContact O-CB 3.33Å; Y261-K265 PolarHBondContact O-N 2.82Å; Y261-K265 VanDerWaalsContact OH-CD 3.27Å; Y261-K265 WeakPolarHBondContact OH-CD 3.48Å; Y261-K265 PolarHBondContact OH-NZ 3.4Å; K265-A267 VanDerWaalsContact C-N 3.34Å; K265-G268 PolarHBondContact O-N 2.9Å
266R84.2Confident85Confident179 Ų17952.2 Ų52.268%0.67527%0.269SS*.Hα-helixtrans-71-26.3173.7-75174.3-177.8173.30.6113.8N262 C263 L264 G268N262-R266 WeakPolarHBondContact O-CB 3.47Å; N262-R266 WeakPolarHBondContact O-CD 3.47Å; N262-R266 WeakPolarHBondContact O-CG 3.35Å; N262-R266 PolarHBondContact O-N 3.02Å; C263-R266 PolarHBondContact O-N 3.38Å; L264-R266 VanDerWaalsContact C-N 3.28Å; L264-R266 PolarHBondContact O-N 3.04Å; R266-G268 PolarHBondContact O-N 2.89Å
267A84.7Confident85.2Confident50 Ų5055.4 Ų55.441%0.41329%0.286SS..THydrogen-bonded Turntrans-78.8-2.4173.700000112.7C263 L264 K265 I269 V286C263-A267 PolarHBondContact O-N 3.19Å; C263-A267 VanDerWaalsContact O-N 3.08Å; L264-A267 CarbonylContact O-C 3.57Å; L264-A267 WeakPolarHBondContact O-CA 3.4Å; L264-A267 WeakPolarHBondContact O-CB 3.27Å; L264-A267 PolarHBondContact O-N 3.5Å; K265-A267 VanDerWaalsContact C-N 3.34Å; A267-I269 VanDerWaalsContact C-N 3.32Å; A267-I269 HydrophobicContact CB-CD1 4.2Å; A267-I269 HydrophobicContact CB-CG1 4.27Å; A267-V286 HydrophobicContact CB-CG1 3.83Å; A267-V286 HydrophobicContact CB-CG2 4.1Å
268G84.3Confident85.1Confident44 Ų4457.2 Ų57.245%0.45429%0.288SS..THydrogen-bonded Turntrans7521.2-17600000113.4L264 K265 R266L264-G268 PolarHBondContact O-N 2.93Å; K265-G268 PolarHBondContact O-N 2.9Å; R266-G268 PolarHBondContact O-N 2.89Å
269I86.9Confident85.1Confident3 Ų351.9 Ų51.92%0.01526%0.256CS..  trans-96112.6174.4-58169.9000107.2I251 L264 A267 E274 L275 K278 M283I251-I269 WeakPolarHBondContact CD1-O 3.24Å; I251-I269 HydrophobicContact CG2-CG2 4.36Å; L264-I269 CarbonylContact C-O 3.43Å; L264-I269 HydrophobicContact CB-CB 4.37Å; L264-I269 HydrophobicContact CD2-CB 4.48Å; L264-I269 HydrophobicContact CD2-CD1 3.91Å; L264-I269 PolarHBondContact O-N 2.81Å; A267-I269 VanDerWaalsContact C-N 3.32Å; A267-I269 HydrophobicContact CB-CD1 4.2Å; A267-I269 HydrophobicContact CB-CG1 4.27Å; I269-E274 WeakPolarHBondContact CA-OE2 3.46Å; I269-E274 HydrophobicContact CG2-CB 3.93Å; I269-L275 HydrophobicContact CG2-CB 3.95Å; I269-L275 HydrophobicContact CG2-CD1 4.31Å; I269-K278 HydrophobicContact CD1-CG 3.96Å; I269-M283 HydrophobicContact CD1-SD 4.13Å
270N85.7Confident85.1Confident79 Ų7948.8 Ų48.842%0.42225%0.248SC..  trans-114.4-23.9-175.7-58.3-63.7000113.3I251 E274I251-N270 WeakPolarHBondContact CG1-O 3.32Å; I251-N270 PolarHBondContact N-O 3.41Å; N270-E274 PolarHBondContact N-OE2 2.76Å
271T85.8Confident84.9Confident35 Ų3551.4 Ų51.422%0.21527%0.265CS..BIsolated β-bridgetrans-119.8157.8-179640000112.3M249 Q273 E274 L275M249-T271 WeakPolarHBondContact O-CA 3.45Å; T271-Q273 PolarHBondContact O-N 3.39Å; T271-E274 PolarHBondContact O-N 3.47Å; T271-E274 WeakPolarHBondContact OG1-CG 3.46Å; T271-E274 PolarHBondContact OG1-N 3.16Å; T271-L275 PolarHBondContact O-N 3.37Å
272V84.9Confident84.7Confident0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-60.1-35173.3179.60000110.7M246 M249 L254 E274 L275 T276 L301 L304 L306M246-V272 WeakPolarHBondContact O-CB 3.26Å; M246-V272 WeakPolarHBondContact O-CG1 3.23Å; M249-V272 HydrophobicContact CB-CG2 3.79Å; M249-V272 WeakPolarHBondContact O-CG2 3.48Å; M249-V272 PolarHBondContact O-N 3.47Å; L254-V272 HydrophobicContact CD1-CG2 3.82Å; L254-V272 HydrophobicContact CD2-CG2 3.95Å; L254-V272 HydrophobicContact CG-CG2 3.81Å; V272-E274 PolarHBondContact O-N 2.99Å; V272-L275 WeakPolarHBondContact O-CB 3.43Å; V272-L275 PolarHBondContact O-N 3.43Å; V272-T276 HydrophobicContact CG1-CG2 4.3Å; V272-T276 WeakPolarHBondContact O-CG2 3.4Å; V272-T276 PolarHBondContact O-N 2.68Å; V272-T276 PolarHBondContact O-OG1 2.96Å; V272-L301 HydrophobicContact CG1-CD2 3.93Å; V272-L304 HydrophobicContact CG1-CD1 4.49Å; V272-L306 HydrophobicContact CG1-CD1 3.59Å
273Q81.3Confident84.5Confident76 Ų7649.2 Ų49.236%0.35526%0.255SS..Hα-helixtrans-59.6-47.9175.2-170.2175.827.900112.4L247 T271 L275 T276 N277L247-Q273 HydrophobicContact CB-CB 4.07Å; L247-Q273 HydrophobicContact CB-CG 4.44Å; L247-Q273 HydrophobicContact CD2-CB 4.25Å; L247-Q273 HydrophobicContact CD2-CG 4.36Å; L247-Q273 VanDerWaalsContact O-CB 3.27Å; L247-Q273 WeakPolarHBondContact O-CB 3.49Å; L247-Q273 PolarHBondContact O-N 3.08Å; T271-Q273 PolarHBondContact O-N 3.39Å; Q273-L275 PolarHBondContact O-N 3.3Å; Q273-T276 PolarHBondContact O-N 3.07Å; Q273-T276 PolarHBondContact O-OG1 3.2Å; Q273-N277 PolarHBondContact O-N 3.28Å; Q273-N277 VanDerWaalsContact O-N 3.14Å; Q273-N277 PolarHBondContact O-ND2 3.34Å; Q273-N277 VanDerWaalsContact O-ND2 3.09Å
274E83.7Confident84.4Confident76 Ų7654 Ų5436%0.35528%0.279SS..Hα-helixtrans-61.5-36177.3-73.3172.1175.600111.6I269 N270 T271 V272 N277I269-E274 WeakPolarHBondContact CA-OE2 3.46Å; I269-E274 HydrophobicContact CG2-CB 3.93Å; N270-E274 PolarHBondContact N-OE2 2.76Å; T271-E274 PolarHBondContact O-N 3.47Å; T271-E274 WeakPolarHBondContact OG1-CG 3.46Å; T271-E274 PolarHBondContact OG1-N 3.16Å; V272-E274 PolarHBondContact O-N 2.99Å; E274-N277 PolarHBondContact O-N 2.85Å
275L85.6Confident84.3Confident0 Ų062.3 Ų62.30%032%0.315CS..Hα-helixtrans-66.7-46.7177.6-175.365.2000112.3L254 L264 I269 T271 V272 Q273 N277 K278 M283 V297 L301 L308L254-L275 HydrophobicContact CD1-CD2 3.92Å; L264-L275 HydrophobicContact CD1-CD1 4.29Å; L264-L275 HydrophobicContact CD2-CD1 3.7Å; I269-L275 HydrophobicContact CG2-CB 3.95Å; I269-L275 HydrophobicContact CG2-CD1 4.31Å; T271-L275 PolarHBondContact O-N 3.37Å; V272-L275 WeakPolarHBondContact O-CB 3.43Å; V272-L275 PolarHBondContact O-N 3.43Å; Q273-L275 PolarHBondContact O-N 3.3Å; L275-N277 PolarHBondContact O-N 3.31Å; L275-K278 PolarHBondContact O-N 3.28Å; L275-K278 VanDerWaalsContact O-N 3.16Å; L275-M283 HydrophobicContact CD1-CE 3.72Å; L275-M283 HydrophobicContact CD1-SD 4.13Å; L275-V297 HydrophobicContact CD1-CG1 3.82Å; L275-V297 HydrophobicContact CD2-CG1 3.8Å; L275-V297 HydrophobicContact CG-CG1 4.2Å; L275-L301 HydrophobicContact CD2-CD1 3.95Å; L275-L301 HydrophobicContact CD2-CD2 3.77Å; L275-L301 HydrophobicContact CD2-CG 3.92Å; L275-L301 HydrophobicContact CG-CD1 4.02Å; L275-L301 HydrophobicContact CG-CD2 4.31Å; L275-L301 HydrophobicContact CG-CG 4.49Å; L275-L308 VanDerWaalsContact O-CD2 3.27Å; L275-L308 WeakPolarHBondContact O-CD2 3.48Å
276T84.8Confident84.1Confident17 Ų1758.9 Ų58.910%0.10430%0.302CS..Hα-helixtrans-64.8-25.8176.9580000113L247 V272 Q273 K278 L301 L306 R309L247-T276 HydrophobicContact CD2-CG2 4.02Å; L247-T276 WeakPolarHBondContact CD2-OG1 3.34Å; V272-T276 HydrophobicContact CG1-CG2 4.3Å; V272-T276 WeakPolarHBondContact O-CG2 3.4Å; V272-T276 PolarHBondContact O-N 2.68Å; V272-T276 PolarHBondContact O-OG1 2.96Å; Q273-T276 PolarHBondContact O-N 3.07Å; Q273-T276 PolarHBondContact O-OG1 3.2Å; T276-K278 VanDerWaalsContact C-N 3.28Å; T276-K278 PolarHBondContact O-N 3.25Å; T276-L301 HydrophobicContact CG2-CD2 3.88Å; T276-L306 HydrophobicContact CG2-CB 4.02Å; T276-L306 HydrophobicContact CG2-CD1 4.2Å; T276-R309 PolarHBondContact O-N 3.32Å
277N85.6Confident83.8Confident86 Ų8659.4 Ų59.446%0.4630%0.304SS..THydrogen-bonded Turntrans-75.8-12.7176.2-75.7-38.4000114.1Q273 E274 L275 R309Q273-N277 PolarHBondContact O-N 3.28Å; Q273-N277 VanDerWaalsContact O-N 3.14Å; Q273-N277 PolarHBondContact O-ND2 3.34Å; Q273-N277 VanDerWaalsContact O-ND2 3.09Å; E274-N277 PolarHBondContact O-N 2.85Å; L275-N277 PolarHBondContact O-N 3.31Å; N277-R309 PolarHBondContact O-NH1 3.04Å
278K84.6Confident83.5Confident80 Ų8061.6 Ų61.635%0.34831%0.308SS..SBendtrans-84.3142.9175.2-63.8-60.7-178.6-175.80110.7I269 L275 T276 E282 M283 L308 R309I269-K278 HydrophobicContact CD1-CG 3.96Å; L275-K278 PolarHBondContact O-N 3.28Å; L275-K278 VanDerWaalsContact O-N 3.16Å; T276-K278 VanDerWaalsContact C-N 3.28Å; T276-K278 PolarHBondContact O-N 3.25Å; K278-E282 HydrophobicContact CD-CB 4.45Å; K278-E282 WeakPolarHBondContact CD-OE2 3.19Å; K278-E282 IonicContact NZ-OE2 2.63Å; K278-M283 HydrophobicContact CB-CG 3.95Å; K278-M283 HydrophobicContact CB-SD 3.87Å; K278-M283 HydrophobicContact CG-SD 4.14Å; K278-L308 WeakPolarHBondContact O-CB 3.47Å; K278-R309 PolarHBondContact O-N 3.18Å
279S85.7Confident83.3Confident2 Ų260.2 Ų60.21%0.01429%0.29CS..BIsolated β-bridgetrans-89.9162.2168.470.30000111.8E282 M283 R309 D311S279-E282 WeakPolarHBondContact O-CB 3.42Å; S279-E282 PolarHBondContact O-N 3.42Å; S279-E282 VanDerWaalsContact O-N 3.14Å; S279-M283 WeakPolarHBondContact O-CG 3.37Å; S279-M283 PolarHBondContact O-N 3.42Å; S279-R309 WeakPolarHBondContact CA-O 3.27Å; S279-R309 WeakPolarHBondContact CB-O 3.5Å; S279-D311 WeakPolarHBondContact CB-OD1 3.27Å; S279-D311 PolarHBondContact OG-OD1 2.75Å
280E82.4Confident83.1Confident84 Ų8461.2 Ų61.239%0.39330%0.302SS..Hα-helixtrans-54.5-45.7179.4-176.8164.1-165.900114.6E282 M283 I284 L294 K298E280-E282 VanDerWaalsContact C-N 3.32Å; E280-E282 PolarHBondContact O-N 2.98Å; E280-M283 WeakPolarHBondContact O-CB 3.45Å; E280-M283 PolarHBondContact O-N 2.84Å; E280-I284 HydrophobicContact CG-CD1 4.4Å; E280-I284 WeakPolarHBondContact O-CG1 3.47Å; E280-I284 PolarHBondContact O-N 3.16Å; E280-L294 HydrophobicContact CG-CD2 4.27Å; E280-K298 IonicContact OE1-NZ 3.67Å; E280-K298 PolarHBondContact OE1-NZ 3.04Å; E280-K298 IonicContact OE2-NZ 3.91Å; E280-K298 PolarHBondContact OE2-NZ 2.89Å
281P83.1Confident82.9Confident56 Ų5668.1 Ų68.136%0.36432%0.322SS..Hα-helixtrans-68.4-29.4176.424.9-33000112.9M283 K285 D311P281-M283 VanDerWaalsContact C-N 3.34Å; P281-K285 WeakPolarHBondContact O-CG 3.43Å; P281-K285 PolarHBondContact O-N 2.78Å; P281-D311 WeakPolarHBondContact CD-OD2 3.47Å; P281-D311 WeakPolarHBondContact CG-OD2 3.07Å
282E83Confident82.9Confident66 Ų6675 Ų7531%0.30835%0.349SS..Hα-helixtrans-65.9-39.9171.3-68.9179.9-17500111K278 S279 E280 K285 R309K278-E282 HydrophobicContact CD-CB 4.45Å; K278-E282 WeakPolarHBondContact CD-OE2 3.19Å; K278-E282 IonicContact NZ-OE2 2.63Å; S279-E282 WeakPolarHBondContact O-CB 3.42Å; S279-E282 PolarHBondContact O-N 3.42Å; S279-E282 VanDerWaalsContact O-N 3.14Å; E280-E282 VanDerWaalsContact C-N 3.32Å; E280-E282 PolarHBondContact O-N 2.98Å; E282-K285 WeakPolarHBondContact O-CB 3.42Å; E282-K285 PolarHBondContact O-N 3.06Å; E282-R309 IonicContact OE1-CZ 3.36Å; E282-R309 IonicContact OE1-NH2 2.68Å; E282-R309 PolarHBondContact OE1-NH2 3.39Å; E282-R309 IonicContact OE2-NH2 2.77Å
283M81.8Confident82.9Confident0 Ų075.3 Ų75.30%035%0.351CS..Hα-helixtrans-66-37.3177.4-72.8-60.8-71.400112.7L264 I269 L275 K278 S279 E280 P281 K285 V286 L289 L294 V297 L308L264-M283 HydrophobicContact CD2-CE 3.55Å; L264-M283 HydrophobicContact CD2-SD 4.46Å; I269-M283 HydrophobicContact CD1-SD 4.13Å; L275-M283 HydrophobicContact CD1-CE 3.72Å; L275-M283 HydrophobicContact CD1-SD 4.13Å; K278-M283 HydrophobicContact CB-CG 3.95Å; K278-M283 HydrophobicContact CB-SD 3.87Å; K278-M283 HydrophobicContact CG-SD 4.14Å; S279-M283 WeakPolarHBondContact O-CG 3.37Å; S279-M283 PolarHBondContact O-N 3.42Å; E280-M283 WeakPolarHBondContact O-CB 3.45Å; E280-M283 PolarHBondContact O-N 2.84Å; P281-M283 VanDerWaalsContact C-N 3.34Å; M283-K285 PolarHBondContact O-N 2.85Å; M283-V286 VanDerWaalsContact O-CB 3.27Å; M283-V286 WeakPolarHBondContact O-CB 2.89Å; M283-V286 WeakPolarHBondContact O-CG2 3.35Å; M283-V286 PolarHBondContact O-N 2.79Å; M283-V286 VanDerWaalsContact O-N 3.08Å; M283-V286 HydrophobicContact SD-CG2 4.41Å; M283-L289 HydrophobicContact CB-CD2 4.18Å; M283-L289 HydrophobicContact CE-CD2 3.55Å; M283-L289 VanDerWaalsContact O-CD2 3.24Å; M283-L289 WeakPolarHBondContact O-CD2 3.37Å; M283-L294 HydrophobicContact CB-CD1 3.57Å; M283-L294 HydrophobicContact CE-CD1 4.3Å; M283-L294 HydrophobicContact CG-CD1 4.2Å; M283-V297 HydrophobicContact CE-CG1 4.25Å; M283-L308 HydrophobicContact CG-CD1 4.24Å; M283-L308 HydrophobicContact CG-CD2 4.34Å
284I83.5Confident83.2Confident107 Ų10772.2 Ų72.255%0.54934%0.337SS..Hα-helixtrans-65-28.6175.5-67.2169.2000111.8E280 V286 L294E280-I284 HydrophobicContact CG-CD1 4.4Å; E280-I284 WeakPolarHBondContact O-CG1 3.47Å; E280-I284 PolarHBondContact O-N 3.16Å; I284-V286 PolarHBondContact O-N 3.35Å; I284-L294 HydrophobicContact CD1-CD2 4.27Å; I284-L294 HydrophobicContact CG1-CD2 3.63Å
285K82.4Confident83.3Confident175 Ų17574.9 Ų74.976%0.76135%0.35SS*.THydrogen-bonded Turntrans-74.3-14175.6-68.7172.3-175.7175.50112.9P281 E282 M283 R287P281-K285 WeakPolarHBondContact O-CG 3.43Å; P281-K285 PolarHBondContact O-N 2.78Å; E282-K285 WeakPolarHBondContact O-CB 3.42Å; E282-K285 PolarHBondContact O-N 3.06Å; M283-K285 PolarHBondContact O-N 2.85Å; K285-R287 PolarHBondContact O-N 2.98Å
286V81.7Confident83.4Confident21 Ų2177.4 Ų77.413%0.12736%0.361CS..SBendtrans-63.7121.3176.6176.10000109.4C263 A267 M283 I284 N288 L289C263-V286 HydrophobicContact CB-CG1 4.37Å; A267-V286 HydrophobicContact CB-CG1 3.83Å; A267-V286 HydrophobicContact CB-CG2 4.1Å; M283-V286 VanDerWaalsContact O-CB 3.27Å; M283-V286 WeakPolarHBondContact O-CB 2.89Å; M283-V286 WeakPolarHBondContact O-CG2 3.35Å; M283-V286 PolarHBondContact O-N 2.79Å; M283-V286 VanDerWaalsContact O-N 3.08Å; M283-V286 HydrophobicContact SD-CG2 4.41Å; I284-V286 PolarHBondContact O-N 3.35Å; V286-N288 PolarHBondContact O-N 2.85Å; V286-N288 VanDerWaalsContact O-N 3.15Å; V286-L289 HydrophobicContact CB-CB 3.93Å; V286-L289 HydrophobicContact CB-CD2 4.34Å; V286-L289 HydrophobicContact CG1-CB 4.08Å; V286-L289 WeakPolarHBondContact O-CB 3.35Å; V286-L289 PolarHBondContact O-N 3.16Å
287R78.4Confident83.5Confident191 Ų19176.6 Ų76.672%0.72136%0.356SS*.THydrogen-bonded Turntrans-57.1121.3-174.1-164.2178.180.1-179.95.5110.8K285 L289K285-R287 PolarHBondContact O-N 2.98Å; R287-L289 VanDerWaalsContact C-N 3.3Å; R287-L289 PolarHBondContact O-N 2.87Å
288N79.2Confident83.5Confident95 Ų9575.8 Ų75.851%0.50835%0.349SS..THydrogen-bonded Turntrans72.86.8-179.7-51.9-50.7000116.7R259 V286 G290R259-N288 PolarHBondContact NH2-O 2.93Å; V286-N288 PolarHBondContact O-N 2.85Å; V286-N288 VanDerWaalsContact O-N 3.15Å; N288-G290 PolarHBondContact O-N 3.13Å; N288-G290 VanDerWaalsContact O-N 3.13Å
289L79.9Confident83.6Confident15 Ų1574.3 Ų74.38%0.07935%0.352CS..  trans-75.599.9169.3-161.977.7000108.8C263 M283 V286 R287 L294C263-L289 HydrophobicContact CB-CD1 3.83Å; M283-L289 HydrophobicContact CB-CD2 4.18Å; M283-L289 HydrophobicContact CE-CD2 3.55Å; M283-L289 VanDerWaalsContact O-CD2 3.24Å; M283-L289 WeakPolarHBondContact O-CD2 3.37Å; V286-L289 HydrophobicContact CB-CB 3.93Å; V286-L289 HydrophobicContact CB-CD2 4.34Å; V286-L289 HydrophobicContact CG1-CB 4.08Å; V286-L289 WeakPolarHBondContact O-CB 3.35Å; V286-L289 PolarHBondContact O-N 3.16Å; R287-L289 VanDerWaalsContact C-N 3.3Å; R287-L289 PolarHBondContact O-N 2.87Å; L289-L294 HydrophobicContact CD2-CB 4.33Å; L289-L294 HydrophobicContact CD2-CD1 4.09Å
290G81.1Confident83.6Confident25 Ų2576.9 Ų76.926%0.25836%0.363SS..  trans-77.2165.217700000112N288 K292 S293 L294N288-G290 PolarHBondContact O-N 3.13Å; N288-G290 VanDerWaalsContact O-N 3.13Å; G290-K292 VanDerWaalsContact C-N 3.28Å; G290-K292 PolarHBondContact O-N 2.78Å; G290-S293 WeakPolarHBondContact O-CB 3.48Å; G290-S293 PolarHBondContact O-N 2.76Å; G290-L294 PolarHBondContact O-N 2.86Å
291R83.5Confident83.7Confident224 Ų22473 Ų7385%0.84534%0.344SS*.Hα-helixtrans-51.7-44.4177.6-68.2-175.8178.8-179.2-1.3113.1S293 L294 E295R291-S293 PolarHBondContact O-N 3.43Å; R291-L294 WeakPolarHBondContact O-CB 3.22Å; R291-L294 PolarHBondContact O-N 3.06Å; R291-E295 WeakPolarHBondContact O-CG 3.29Å; R291-E295 PolarHBondContact O-N 2.98Å
292K85.1Confident83.8Confident178 Ų17877.2 Ų77.277%0.77436%0.359SS*.Hα-helixtrans-63.1-38.1178.6-169175.9-177.8178.90113.3G290 E296G290-K292 VanDerWaalsContact C-N 3.28Å; G290-K292 PolarHBondContact O-N 2.78Å; K292-E296 PolarHBondContact O-N 3.4Å; K292-E296 VanDerWaalsContact O-N 3.13Å
293S85.3Confident83.8Confident7 Ų779.9 Ų79.95%0.04938%0.375CS..Hα-helixtrans-70.7-35.9175.7-73.10000111.7S260 G290 R291 E296 V297S260-S293 WeakPolarHBondContact OG-CA 3.36Å; S260-S293 WeakPolarHBondContact OG-CB 3.46Å; S260-S293 PolarHBondContact OG-OG 2.75Å; S260-S293 VanDerWaalsContact OG-OG 3.09Å; G290-S293 WeakPolarHBondContact O-CB 3.48Å; G290-S293 PolarHBondContact O-N 2.76Å; R291-S293 PolarHBondContact O-N 3.43Å; S293-E296 PolarHBondContact O-N 3.38Å; S293-V297 VanDerWaalsContact O-CG2 3.28Å; S293-V297 WeakPolarHBondContact O-CG2 3.48Å; S293-V297 PolarHBondContact O-N 3.41Å
294L86.1Confident83.7Confident11 Ų1181.6 Ų81.66%0.05838%0.384CS..Hα-helixtrans-67-41.1175.4-178.658.8000112.1E280 M283 I284 L289 G290 R291 E296 V297 K298 L308E280-L294 HydrophobicContact CG-CD2 4.27Å; M283-L294 HydrophobicContact CB-CD1 3.57Å; M283-L294 HydrophobicContact CE-CD1 4.3Å; M283-L294 HydrophobicContact CG-CD1 4.2Å; I284-L294 HydrophobicContact CD1-CD2 4.27Å; I284-L294 HydrophobicContact CG1-CD2 3.63Å; L289-L294 HydrophobicContact CD2-CB 4.33Å; L289-L294 HydrophobicContact CD2-CD1 4.09Å; G290-L294 PolarHBondContact O-N 2.86Å; R291-L294 WeakPolarHBondContact O-CB 3.22Å; R291-L294 PolarHBondContact O-N 3.06Å; L294-E296 VanDerWaalsContact C-N 3.35Å; L294-V297 PolarHBondContact O-N 3.3Å; L294-K298 WeakPolarHBondContact O-CG 3.42Å; L294-K298 PolarHBondContact O-N 3.34Å; L294-L308 HydrophobicContact CD1-CD1 4.41Å
295E87.6Confident83.5Confident133 Ų13379.2 Ų79.262%0.62139%0.386SS*.Hα-helixtrans-62.1-41.7174-74.7177.6165.100112.1R291 K298 A299R291-E295 WeakPolarHBondContact O-CG 3.29Å; R291-E295 PolarHBondContact O-N 2.98Å; E295-K298 PolarHBondContact O-N 3.2Å; E295-A299 WeakPolarHBondContact O-CB 3.3Å; E295-A299 PolarHBondContact O-N 2.74Å
296E86.2Confident83.6Confident52 Ų5272.1 Ų72.124%0.24336%0.356CS..Hα-helixtrans-58.8-47.8174.5179.1-175.1-154.100111.8L256 S257 S260 K292 S293 L294 K298 A299 K300L256-E296 HydrophobicContact CD2-CG 4.19Å; S257-E296 WeakPolarHBondContact CB-OE1 3.47Å; S257-E296 WeakPolarHBondContact CB-OE2 3.34Å; S257-E296 PolarHBondContact N-OE1 2.79Å; S257-E296 PolarHBondContact OG-OE1 3.01Å; S257-E296 PolarHBondContact OG-OE2 2.86Å; S260-E296 WeakPolarHBondContact CB-OE2 3.21Å; S260-E296 PolarHBondContact OG-OE2 3.16Å; K292-E296 PolarHBondContact O-N 3.4Å; K292-E296 VanDerWaalsContact O-N 3.13Å; S293-E296 PolarHBondContact O-N 3.38Å; L294-E296 VanDerWaalsContact C-N 3.35Å; E296-K298 VanDerWaalsContact C-N 3.34Å; E296-K298 PolarHBondContact O-N 2.68Å; E296-A299 PolarHBondContact O-N 3.32Å; E296-K300 WeakPolarHBondContact O-CG 3.4Å; E296-K300 PolarHBondContact O-N 2.86Å
297V86.5Confident83.7Confident0 Ų073.2 Ų73.20%037%0.372CS..Hα-helixtrans-60.4-43.7177.4169.10000111.2L256 L264 L275 M283 S293 L294 K300 L301L256-V297 HydrophobicContact CD1-CG2 4.4Å; L256-V297 HydrophobicContact CD2-CG2 3.99Å; L264-V297 HydrophobicContact CD1-CG2 4.26Å; L275-V297 HydrophobicContact CD1-CG1 3.82Å; L275-V297 HydrophobicContact CD2-CG1 3.8Å; L275-V297 HydrophobicContact CG-CG1 4.2Å; M283-V297 HydrophobicContact CE-CG1 4.25Å; S293-V297 VanDerWaalsContact O-CG2 3.28Å; S293-V297 WeakPolarHBondContact O-CG2 3.48Å; S293-V297 PolarHBondContact O-N 3.41Å; L294-V297 PolarHBondContact O-N 3.3Å; V297-K300 PolarHBondContact O-N 2.92Å; V297-L301 HydrophobicContact CG1-CD1 4.25Å; V297-L301 WeakPolarHBondContact O-CG 3.45Å; V297-L301 PolarHBondContact O-N 2.85Å
298K87.1Confident84Confident69 Ų6965.5 Ų65.530%0.335%0.345SS..Hα-helixtrans-63.6-42176.4-77.9177.5163-164.80112.5E280 L294 E295 E296 L301 H302 L308E280-K298 IonicContact OE1-NZ 3.67Å; E280-K298 PolarHBondContact OE1-NZ 3.04Å; E280-K298 IonicContact OE2-NZ 3.91Å; E280-K298 PolarHBondContact OE2-NZ 2.89Å; L294-K298 WeakPolarHBondContact O-CG 3.42Å; L294-K298 PolarHBondContact O-N 3.34Å; E295-K298 PolarHBondContact O-N 3.2Å; E296-K298 VanDerWaalsContact C-N 3.34Å; E296-K298 PolarHBondContact O-N 2.68Å; K298-L301 PolarHBondContact O-N 3.03Å; K298-H302 VanDerWaalsContact O-CB 3.3Å; K298-H302 WeakPolarHBondContact O-CB 3.44Å; K298-H302 PolarHBondContact O-N 3.27Å; K298-L308 HydrophobicContact CG-CD1 4Å
299A87Confident84.1Confident50 Ų5066.5 Ų66.541%0.41334%0.342SS..Hα-helixtrans-61.5-48.2178.100000110.8E295 E296 L301 H302 D303E295-A299 WeakPolarHBondContact O-CB 3.3Å; E295-A299 PolarHBondContact O-N 2.74Å; E296-A299 PolarHBondContact O-N 3.32Å; A299-L301 PolarHBondContact O-N 2.8Å; A299-H302 CarbonylContact O-C 3.56Å; A299-H302 WeakPolarHBondContact O-CB 3.41Å; A299-H302 PolarHBondContact O-N 2.83Å; A299-H302 VanDerWaalsContact O-N 3.11Å; A299-D303 VanDerWaalsContact O-CG 3.25Å; A299-D303 PolarHBondContact O-N 2.79Å
300K84.7Confident84Confident56 Ų5674.8 Ų74.824%0.24338%0.377CS..Hα-helixtrans-63.7-39.3177.8-69.2-69.1-168.6157.50113.1D255 L256 E296 V297 H302 D303 L304D255-K300 VanDerWaalsContact O-CE 3.32Å; D255-K300 WeakPolarHBondContact O-CE 3.4Å; D255-K300 PolarHBondContact O-NZ 2.8Å; D255-K300 IonicContact OD2-NZ 2.6Å; L256-K300 HydrophobicContact CD2-CB 4.25Å; L256-K300 HydrophobicContact CD2-CG 3.91Å; E296-K300 WeakPolarHBondContact O-CG 3.4Å; E296-K300 PolarHBondContact O-N 2.86Å; V297-K300 PolarHBondContact O-N 2.92Å; K300-H302 VanDerWaalsContact C-N 3.33Å; K300-D303 PolarHBondContact O-N 3.07Å; K300-L304 PolarHBondContact O-N 2.83Å
301L85.8Confident83.2Confident2 Ų277.6 Ų77.61%0.0139%0.386CS..Hα-helixtrans-62.1-43172.1-76.7173.6000111.5V272 L275 T276 V297 K298 A299 D303 L304 G305 L306 L308V272-L301 HydrophobicContact CG1-CD2 3.93Å; L275-L301 HydrophobicContact CD2-CD1 3.95Å; L275-L301 HydrophobicContact CD2-CD2 3.77Å; L275-L301 HydrophobicContact CD2-CG 3.92Å; L275-L301 HydrophobicContact CG-CD1 4.02Å; L275-L301 HydrophobicContact CG-CD2 4.31Å; L275-L301 HydrophobicContact CG-CG 4.49Å; T276-L301 HydrophobicContact CG2-CD2 3.88Å; V297-L301 HydrophobicContact CG1-CD1 4.25Å; V297-L301 WeakPolarHBondContact O-CG 3.45Å; V297-L301 PolarHBondContact O-N 2.85Å; K298-L301 PolarHBondContact O-N 3.03Å; A299-L301 PolarHBondContact O-N 2.8Å; L301-D303 VanDerWaalsContact C-N 3.34Å; L301-D303 PolarHBondContact O-N 3.2Å; L301-L304 CarbonylContact O-C 3.59Å; L301-L304 WeakPolarHBondContact O-CB 3.42Å; L301-L304 PolarHBondContact O-N 3.16Å; L301-L304 VanDerWaalsContact O-N 3.14Å; L301-G305 PolarHBondContact O-N 3.26Å; L301-L306 CarbonylContact C-O 3.54Å; L301-L306 HydrophobicContact CD2-CB 4.26Å; L301-L306 CarbonylContact O-C 3.18Å; L301-L306 WeakPolarHBondContact O-CA 3.26Å; L301-L306 PolarHBondContact O-N 3.18Å; L301-L308 HydrophobicContact CD1-CD2 3.61Å; L301-L308 HydrophobicContact CD1-CG 3.97Å
302H84.8Confident81.5Confident144 Ų14478 Ų7867%0.66741%0.405SS*.Hα-helixtrans-66.1-35.6178.9-174.1-81.3000112.3K298 A299 K300 L304 G305 L306K298-H302 VanDerWaalsContact O-CB 3.3Å; K298-H302 WeakPolarHBondContact O-CB 3.44Å; K298-H302 PolarHBondContact O-N 3.27Å; A299-H302 CarbonylContact O-C 3.56Å; A299-H302 WeakPolarHBondContact O-CB 3.41Å; A299-H302 PolarHBondContact O-N 2.83Å; A299-H302 VanDerWaalsContact O-N 3.11Å; K300-H302 VanDerWaalsContact C-N 3.33Å; H302-L304 PolarHBondContact O-N 3.4Å; H302-G305 WeakPolarHBondContact O-CA 3.33Å; H302-G305 PolarHBondContact O-N 2.61Å; H302-L306 PolarHBondContact N-O 3.25Å
303D83.3Confident81.4Confident122 Ų12273.1 Ų73.165%0.65239%0.387SS*.Hα-helixtrans-61.8-29.8173.5-66.9-21.3000112A299 K300 L301 G305A299-D303 VanDerWaalsContact O-CG 3.25Å; A299-D303 PolarHBondContact O-N 2.79Å; K300-D303 PolarHBondContact O-N 3.07Å; L301-D303 VanDerWaalsContact C-N 3.34Å; L301-D303 PolarHBondContact O-N 3.2Å; D303-G305 VanDerWaalsContact C-N 3.3Å
304L79.1Confident81.1Confident37 Ų3776.5 Ų76.519%0.19440%0.404CS..THydrogen-bonded Turntrans-84.83.6171.4-61.1176.4000113.3M246 L254 V272 K300 L301 H302 L306M246-L304 HydrophobicContact CE-CB 4.17Å; M246-L304 HydrophobicContact CE-CD2 3.6Å; M246-L304 HydrophobicContact CE-CG 4.49Å; M246-L304 HydrophobicContact CG-CD2 4.4Å; M246-L304 HydrophobicContact SD-CB 3.89Å; M246-L304 HydrophobicContact SD-CD2 4.2Å; L254-L304 HydrophobicContact CD2-CD1 3.36Å; L254-L304 HydrophobicContact CD2-CG 4.46Å; V272-L304 HydrophobicContact CG1-CD1 4.49Å; K300-L304 PolarHBondContact O-N 2.83Å; L301-L304 CarbonylContact O-C 3.59Å; L301-L304 WeakPolarHBondContact O-CB 3.42Å; L301-L304 PolarHBondContact O-N 3.16Å; L301-L304 VanDerWaalsContact O-N 3.14Å; H302-L304 PolarHBondContact O-N 3.4Å; L304-L306 HydrophobicContact CB-CD1 4.24Å; L304-L306 HydrophobicContact CB-CG 4.31Å; L304-L306 PolarHBondContact O-N 3.42Å
305G79.4Confident80.9Confident57 Ų5780.2 Ų80.259%0.58842%0.424SS*.THydrogen-bonded Turntrans66.519.4-174.400000113.9L301 H302 D303L301-G305 PolarHBondContact O-N 3.26Å; H302-G305 WeakPolarHBondContact O-CA 3.33Å; H302-G305 PolarHBondContact O-N 2.61Å; D303-G305 VanDerWaalsContact C-N 3.3Å
306L83.6Confident80.5Confident25 Ų2577.1 Ų77.113%0.13141%0.412CS..  trans-106.9164.9177.9-64.8174.1000110.6M246 L247 V272 T276 L301 H302 L304M246-L306 HydrophobicContact CB-CD1 3.99Å; L247-L306 HydrophobicContact CD2-CD1 4.22Å; L247-L306 HydrophobicContact CD2-CD2 4.3Å; L247-L306 HydrophobicContact CG-CD1 4.5Å; V272-L306 HydrophobicContact CG1-CD1 3.59Å; T276-L306 HydrophobicContact CG2-CB 4.02Å; T276-L306 HydrophobicContact CG2-CD1 4.2Å; L301-L306 CarbonylContact C-O 3.54Å; L301-L306 HydrophobicContact CD2-CB 4.26Å; L301-L306 CarbonylContact O-C 3.18Å; L301-L306 WeakPolarHBondContact O-CA 3.26Å; L301-L306 PolarHBondContact O-N 3.18Å; H302-L306 PolarHBondContact N-O 3.25Å; L304-L306 HydrophobicContact CB-CD1 4.24Å; L304-L306 HydrophobicContact CB-CG 4.31Å; L304-L306 PolarHBondContact O-N 3.42Å
307G83.3Confident80.1Confident44 Ų4478.6 Ų78.645%0.45442%0.423SS..  trans-146.8162.7177.900000111.3
308L85Confident79.7Confident29 Ų2983.9 Ų83.915%0.15245%0.451CS..PPolyproline II helixtrans-66.5155.6169-65177.1000110.2L275 K278 M283 L294 K298 L301 K310L275-L308 VanDerWaalsContact O-CD2 3.27Å; L275-L308 WeakPolarHBondContact O-CD2 3.48Å; K278-L308 WeakPolarHBondContact O-CB 3.47Å; M283-L308 HydrophobicContact CG-CD1 4.24Å; M283-L308 HydrophobicContact CG-CD2 4.34Å; L294-L308 HydrophobicContact CD1-CD1 4.41Å; K298-L308 HydrophobicContact CG-CD1 4Å; L301-L308 HydrophobicContact CD1-CD2 3.61Å; L301-L308 HydrophobicContact CD1-CG 3.97Å; L308-K310 PolarHBondContact O-N 3Å
309R82.4Confident79.2Confident117 Ų11784.9 Ų84.944%0.44246%0.462SS..BIsolated β-bridgetrans-57.9123.4174.6-167.3-179.972.4-153.4-1.8108.8T276 N277 K278 S279 E282 D311T276-R309 PolarHBondContact O-N 3.32Å; N277-R309 PolarHBondContact O-NH1 3.04Å; K278-R309 PolarHBondContact O-N 3.18Å; S279-R309 WeakPolarHBondContact CA-O 3.27Å; S279-R309 WeakPolarHBondContact CB-O 3.5Å; E282-R309 IonicContact OE1-CZ 3.36Å; E282-R309 IonicContact OE1-NH2 2.68Å; E282-R309 PolarHBondContact OE1-NH2 3.39Å; E282-R309 IonicContact OE2-NH2 2.77Å; R309-D311 PolarHBondContact O-N 2.98Å
310K76.9Confident78.6Confident188 Ų18887.6 Ų87.682%0.81747%0.465SS*.PPolyproline II helixtrans-67.7131170.6-65.9-176179.3-179.80107.6L308 D312L308-K310 PolarHBondContact O-N 3Å; K310-D312 PolarHBondContact O-N 3.32Å
311D64.1Low78.1Confident85 Ų8590.3 Ų90.346%0.45548%0.484SS..PPolyproline II helixtrans-71.7125.4167.9-67.2-51.2000107.5S279 P281 R309S279-D311 WeakPolarHBondContact CB-OD1 3.27Å; S279-D311 PolarHBondContact OG-OD1 2.75Å; P281-D311 WeakPolarHBondContact CD-OD2 3.47Å; P281-D311 WeakPolarHBondContact CG-OD2 3.07Å; R309-D311 PolarHBondContact O-N 2.98Å
312D49.1Very low77.3Confident233 Ų23398.3 Ų98.3100%1.24653%0.527SS*.  trans-73.20155.1-71.5-32.5000109K310K310-D312 PolarHBondContact O-N 3.32Å

Retrieved 312 of 312 residues in 140 ms (Link to these results)

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