A0A077YVR7_TRITR Loading...

Arrestin N and Arrestin C domain containing prote in

AlphaFold DB , UniProt , Accession A0A077YVR7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 385 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
1M31.5Very low43.3Very low244 Ų244109.9 Ų109.9100%1.20266%0.659SS**  0122.20-77.4174.8177.100106.8S3M1-S3 PolarHBondContact O-N 3.21Å; M1-S3 VanDerWaalsContact O-N 3.13Å
2S35.5Very low45.9Very low115 Ų115104.3 Ų104.380%0.80463%0.628SS**  trans-57.9114.2175.9-168.90000108.2M4S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 2.86Å
3S37.6Very low48.8Very low95 Ų9597.7 Ų97.766%0.66459%0.589SS**  trans-6697.9173.546.70000107.6M1 N5M1-S3 PolarHBondContact O-N 3.21Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-N5 PolarHBondContact O-N 3.25Å
4M34.9Very low51.7Low170 Ų17091.1 Ų91.184%0.83755%0.549SS*.  trans-56.6126.3175.8-70.4174.4177.900108.7S2 A6S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 2.86Å; M4-A6 PolarHBondContact O-N 2.85Å; M4-A6 VanDerWaalsContact O-N 3.07Å
5N38.3Very low54.2Low114 Ų11488.5 Ų88.561%0.6154%0.536SS*.  trans-41.6114.9165.9-74.8-26.4000109.2S3 T7S3-N5 PolarHBondContact O-N 3.25Å; N5-T7 HydrophobicContact CB-CG2 4.32Å; N5-T7 PolarHBondContact O-N 3.07Å
6A38Very low56.6Low51 Ų5184.6 Ų84.642%0.42151%0.514SS..  trans-74.982.9157.900000106.9M4 R142 H145M4-A6 PolarHBondContact O-N 2.85Å; M4-A6 VanDerWaalsContact O-N 3.07Å; A6-R142 PolarHBondContact O-NH2 3.01Å; A6-H145 WeakPolarHBondContact CB-CE1 3.29Å; A6-H145 WeakPolarHBondContact CB-NE2 3.38Å; A6-H145 PolarHBondContact N-CE1 2.95Å
7T40.8Very low58.8Low26 Ų2679.6 Ų79.616%0.1648%0.484CS..  trans-98.3118.9153.437.80000104.3N5 D9 G10 V11N5-T7 HydrophobicContact CB-CG2 4.32Å; N5-T7 PolarHBondContact O-N 3.07Å; T7-D9 VanDerWaalsContact C-N 3.28Å; T7-D9 PolarHBondContact O-N 3.13Å; T7-G10 PolarHBondContact O-N 2.91Å; T7-G10 VanDerWaalsContact OG1-C 3.28Å; T7-G10 WeakPolarHBondContact OG1-CA 3.25Å; T7-G10 PolarHBondContact OG1-N 3.32Å; T7-V11 WeakPolarHBondContact CB-O 3Å; T7-V11 VanDerWaalsContact CG2-O 3.23Å; T7-V11 WeakPolarHBondContact CG2-O 3.22Å
8V45.5Very low60.7Low115 Ų11576.5 Ų76.570%0.69746%0.464SS*.THydrogen-bonded Turntrans-61.8101.9165.4-176.60000104.9K44V8-K44 PolarHBondContact O-NZ 3.01Å
9D48.1Very low62.5Low127 Ų12772.5 Ų72.568%0.67944%0.439SS*.THydrogen-bonded Turntrans8421.9-176.3-40-46.2000118.6T7 V11 K44T7-D9 VanDerWaalsContact C-N 3.28Å; T7-D9 PolarHBondContact O-N 3.13Å; D9-V11 PolarHBondContact O-N 3.23Å; D9-K44 IonicContact OD2-NZ 2.85Å; D9-K44 PolarHBondContact OD2-NZ 3.5Å
10G56.5Low64.1Low60 Ų6072.1 Ų72.162%0.61943%0.434SS*.SBendtrans79.4-14.3172.500000115.7T7T7-G10 PolarHBondContact O-N 2.91Å; T7-G10 VanDerWaalsContact OG1-C 3.28Å; T7-G10 WeakPolarHBondContact OG1-CA 3.25Å; T7-G10 PolarHBondContact OG1-N 3.32Å
11V69.2Low65.7Low92 Ų9270 Ų7056%0.55842%0.42SS*.SBendtrans-94.7132.7-177.3-175.40000111.4T7 D9T7-V11 WeakPolarHBondContact CB-O 3Å; T7-V11 VanDerWaalsContact CG2-O 3.23Å; T7-V11 WeakPolarHBondContact CG2-O 3.22Å; D9-V11 PolarHBondContact O-N 3.23Å
12C75.4Confident68.8Low43 Ų4363.2 Ų63.229%0.29139%0.388SS..  trans-58.8125.4172.3-174.40000110I14C12-I14 PolarHBondContact O-N 3.49Å
13P83.4Confident71.7Confident18 Ų1862.4 Ų62.412%0.11737%0.368CS..SBendtrans-71.5-17.1-179.428.7-34.8000113.2L42 N43 K44 L46P13-L42 WeakPolarHBondContact O-CA 3.36Å; P13-N43 PolarHBondContact O-N 3.3Å; P13-K44 HydrophobicContact CB-CB 4.27Å; P13-L46 HydrophobicContact CG-CD1 3.86Å
14I88.5Confident74.2Confident6 Ų667.3 Ų67.33%0.03138%0.38CS..EExtended strand (participates in β ladder)trans-93.5126.5-177-59.6177.1000109.3C12 C16 F17 L42 L46 I140 Y148 P368C12-I14 PolarHBondContact O-N 3.49Å; I14-C16 VanDerWaalsContact CG2-O 3.29Å; I14-C16 WeakPolarHBondContact CG2-O 3.02Å; I14-F17 HydrophobicContact CG2-CB 3.91Å; I14-L42 HydrophobicContact CB-CD2 4.31Å; I14-L42 HydrophobicContact CG1-CD2 3.59Å; I14-L46 HydrophobicContact CD1-CD2 3.88Å; I14-L46 HydrophobicContact CG1-CD2 4.05Å; I14-I140 HydrophobicContact CD1-CD1 4.05Å; I14-Y148 HydrophobicContact CD1-CD2 3.16Å; I14-Y148 HydrophobicContact CD1-CE2 3.36Å; I14-Y148 HydrophobicContact CD1-CG 3.78Å; I14-Y148 HydrophobicContact CG1-CD2 4.39Å; I14-Y148 HydrophobicContact CG1-CE2 4.17Å; I14-P368 HydrophobicContact CB-CB 4.14Å; I14-P368 HydrophobicContact CB-CG 4.21Å; I14-P368 HydrophobicContact CD1-CB 4.22Å; I14-P368 HydrophobicContact CD1-CG 3.81Å; I14-P368 HydrophobicContact CG2-CB 4.28Å; I14-P368 HydrophobicContact CG2-CG 3.92Å
15S90.3Very high76.9Confident51 Ų5163.3 Ų63.336%0.35736%0.362SS..EExtended strand (participates in β ladder)trans-99.9-25.3170.453.60000113T41 N43S15-T41 PolarHBondContact N-O 3.49Å; S15-T41 WeakPolarHBondContact OG-CB 3.47Å; S15-T41 VanDerWaalsContact OG-CG2 3.25Å; S15-T41 WeakPolarHBondContact OG-CG2 3.43Å; S15-T41 PolarHBondContact OG-O 3.06Å; S15-N43 PolarHBondContact OG-OD1 2.79Å
16C92Very high79.7Confident26 Ų2658.6 Ų58.618%0.17634%0.338CS..EExtended strand (participates in β ladder)trans-144134.1174.9-175.50000110.1I14 I40 T41I14-C16 VanDerWaalsContact CG2-O 3.29Å; I14-C16 WeakPolarHBondContact CG2-O 3.02Å; C16-I40 WeakPolarHBondContact O-CA 3.23Å; C16-T41 PolarHBondContact N-O 2.95Å; C16-T41 PolarHBondContact O-N 3.36Å
17F93.5Very high82.5Confident1 Ų156.7 Ų56.70%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-143.2106.7169.4-178.9-146.1000109.1I14 V38 K39 I40 L51 A138 I140 T150 P368I14-F17 HydrophobicContact CG2-CB 3.91Å; F17-V38 HydrophobicContact CD2-CG1 4.25Å; F17-V38 HydrophobicContact CE2-CG1 3.75Å; F17-K39 WeakPolarHBondContact CA-O 3.15Å; F17-I40 HydrophobicContact CD2-CG1 4.02Å; F17-I40 HydrophobicContact CE2-CG1 4.34Å; F17-L51 HydrophobicContact CE2-CD1 4.39Å; F17-A138 HydrophobicContact CE2-CB 3.75Å; F17-A138 HydrophobicContact CZ-CB 3.59Å; F17-A138 WeakPolarHBondContact CZ-O 3.45Å; F17-I140 HydrophobicContact CD1-CD1 4.36Å; F17-I140 HydrophobicContact CD2-CD1 4.04Å; F17-I140 HydrophobicContact CE1-CD1 4.12Å; F17-I140 HydrophobicContact CE1-CG1 4.26Å; F17-I140 HydrophobicContact CE2-CD1 3.77Å; F17-I140 HydrophobicContact CE2-CG1 4.01Å; F17-I140 HydrophobicContact CG-CD1 4.32Å; F17-I140 HydrophobicContact CZ-CD1 3.81Å; F17-I140 HydrophobicContact CZ-CG1 3.73Å; F17-T150 HydrophobicContact CD1-CG2 3.67Å; F17-T150 HydrophobicContact CD2-CG2 3.77Å; F17-T150 HydrophobicContact CE1-CG2 3.65Å; F17-T150 HydrophobicContact CE2-CG2 3.75Å; F17-T150 HydrophobicContact CG-CG2 3.75Å; F17-T150 HydrophobicContact CZ-CG2 3.69Å; F17-T150 WeakPolarHBondContact O-CB 3.41Å; F17-T150 PolarHBondContact O-OG1 2.76Å; F17-T150 VanDerWaalsContact O-OG1 3.1Å; F17-P368 HydrophobicContact CB-CG 3.97Å; F17-P368 HydrophobicContact CD1-CG 3.97Å; F17-P368 HydrophobicContact CG-CG 4.43Å
18D93.4Very high85.2Confident23 Ų2355.5 Ų55.512%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-144.7158.2-174.6-156.62.4000111.8L20 K39 R152D18-L20 HydrophobicContact CB-CD2 4.46Å; D18-K39 PolarHBondContact N-O 2.78Å; D18-K39 PolarHBondContact O-N 3.07Å; D18-R152 IonicContact OD1-NH1 2.8Å; D18-R152 IonicContact OD2-NH1 3.7Å
19V94.9Very high87.7Confident0 Ų051.2 Ų51.20%029%0.286CS..EExtended strand (participates in β ladder)trans-106.3119172.4171.50000107.9F21 Y113 C136 A138 T150 R152V19-F21 HydrophobicContact CG1-CE1 4.18Å; V19-F21 HydrophobicContact CG1-CZ 4.26Å; V19-Y113 HydrophobicContact CG1-CE1 4.04Å; V19-Y113 WeakPolarHBondContact CG1-OH 3.44Å; V19-C136 HydrophobicContact CG1-CB 4.03Å; V19-A138 HydrophobicContact CG2-CB 3.61Å; V19-T150 HydrophobicContact CG2-CG2 4.12Å; V19-R152 HydrophobicContact CB-CB 3.76Å; V19-R152 HydrophobicContact CG1-CB 3.99Å
20L95.6Very high89.9Confident64 Ų6445.7 Ų45.734%0.33526%0.257SS..EExtended strand (participates in β ladder)trans-105.6126.7-179.3-53.2-179000109.5D18 G36 N37 K39 L110 Y113D18-L20 HydrophobicContact CB-CD2 4.46Å; L20-G36 CarbonylContact O-C 3.52Å; L20-G36 WeakPolarHBondContact O-CA 3.43Å; L20-N37 WeakPolarHBondContact CB-O 3.49Å; L20-N37 PolarHBondContact N-O 2.86Å; L20-N37 PolarHBondContact O-N 3.37Å; L20-K39 HydrophobicContact CD1-CB 3.8Å; L20-K39 HydrophobicContact CD1-CD 4.03Å; L20-K39 HydrophobicContact CG-CB 4.11Å; L20-L110 HydrophobicContact CD1-CD2 4.31Å; L20-Y113 PolarHBondContact O-OH 2.84Å; L20-Y113 VanDerWaalsContact O-OH 3.07Å
21F97.4Very high91.8Very high30 Ų3047.9 Ų47.913%0.13225%0.251CS..EExtended strand (participates in β ladder)trans-91.4142.6171.3-60.8-61.3000110.4V19 R23 A26 V34 Y113 C136 R152 P153 F154V19-F21 HydrophobicContact CG1-CE1 4.18Å; V19-F21 HydrophobicContact CG1-CZ 4.26Å; F21-R23 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 2.85Å; F21-A26 HydrophobicContact CB-CB 4.26Å; F21-A26 HydrophobicContact CD2-CB 3.48Å; F21-A26 VanDerWaalsContact CD2-CB 3.48Å; F21-A26 HydrophobicContact CE2-CB 4.09Å; F21-A26 HydrophobicContact CG-CB 4.08Å; F21-V34 HydrophobicContact CD1-CG1 3.81Å; F21-V34 HydrophobicContact CE1-CG1 3.73Å; F21-Y113 WeakPolarHBondContact CD1-OH 3.46Å; F21-Y113 WeakPolarHBondContact CE1-OH 3.2Å; F21-C136 HydrophobicContact CE1-CB 4.2Å; F21-C136 HydrophobicContact CZ-CB 4.22Å; F21-R152 HydrophobicContact CD2-CG 3.94Å; F21-R152 HydrophobicContact CE2-CB 3.75Å; F21-R152 HydrophobicContact CE2-CG 3.28Å; F21-R152 HydrophobicContact CZ-CB 3.92Å; F21-R152 HydrophobicContact CZ-CG 3.99Å; F21-R152 WeakPolarHBondContact CZ-O 3.36Å; F21-P153 WeakPolarHBondContact CE2-O 3.43Å; F21-F154 HydrophobicContact CD2-CB 4.46Å; F21-F154 HydrophobicContact CE1-CD1 4.06Å; F21-F154 HydrophobicContact CE2-CB 3.87Å; F21-F154 HydrophobicContact CE2-CD1 4.41Å; F21-F154 HydrophobicContact CZ-CB 3.94Å; F21-F154 AromaticContact CZ-CD1 3.66Å; F21-F154 HydrophobicContact CZ-CD1 3.66Å; F21-F154 HydrophobicContact CZ-CG 4.22Å
22D96.8Very high93.2Very high101 Ų10144.9 Ų44.954%0.5423%0.232SC..SBendtrans-71.7-26.9178.4-70.5-13.7000112.3E35 G36D22-E35 PolarHBondContact N-O 2.86Å; D22-G36 WeakPolarHBondContact OD1-CA 3.23Å
23R95.2Very high94.2Very high98 Ų9846.5 Ų46.537%0.3724%0.237SC..SBendtrans-82.7122.3174.6-62.4-172.8-174.4-175.34110F21 L25 A26 L27 Y28 D32F21-R23 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 2.85Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 2.95Å; R23-A26 WeakPolarHBondContact O-CA 3.01Å; R23-A26 PolarHBondContact O-N 3.26Å; R23-L27 WeakPolarHBondContact CD-O 3.42Å; R23-L27 PolarHBondContact NH1-O 3.21Å; R23-Y28 VanDerWaalsContact CD-CE1 3.49Å; R23-Y28 HydrophobicContact CG-CE1 4.07Å; R23-D32 IonicContact CZ-OD2 3.61Å; R23-D32 IonicContact NH1-OD2 2.76Å; R23-D32 PolarHBondContact NH1-OD2 2.93Å; R23-D32 IonicContact NH2-OD2 3.39Å; R23-D32 PolarHBondContact NH2-OD2 2.89Å; R23-D32 VanDerWaalsContact NH2-OD2 3.08Å
24E90.1Very high94.9Very high197 Ų19745.6 Ų45.692%0.92123%0.232SC*.THydrogen-bonded Turntrans-53.2-41.9-178-173.8178.1-174.900113.7A26E24-A26 VanDerWaalsContact C-N 3.32Å
25L92.6Very high95.3Very high87 Ų8750 Ų5046%0.45525%0.252SS..THydrogen-bonded Turntrans-84.2-3.9178.1-65.7179.1000114.1R23 L27R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 2.95Å; L25-L27 HydrophobicContact CB-CB 4.06Å; L25-L27 PolarHBondContact O-N 3.43Å
26A96.1Very high95.7Very high15 Ų1547.6 Ų47.612%0.12424%0.236CC..  trans45.644-168.600000111.9F21 R23 E24 Y28 F154 T155F21-A26 HydrophobicContact CB-CB 4.26Å; F21-A26 HydrophobicContact CD2-CB 3.48Å; F21-A26 VanDerWaalsContact CD2-CB 3.48Å; F21-A26 HydrophobicContact CE2-CB 4.09Å; F21-A26 HydrophobicContact CG-CB 4.08Å; R23-A26 WeakPolarHBondContact O-CA 3.01Å; R23-A26 PolarHBondContact O-N 3.26Å; E24-A26 VanDerWaalsContact C-N 3.32Å; A26-Y28 HydrophobicContact CB-CE2 4.44Å; A26-F154 HydrophobicContact CB-CB 3.93Å; A26-F154 WeakPolarHBondContact O-CB 3.3Å; A26-T155 PolarHBondContact O-N 2.91Å
27L97.5Very high95.9Very high11 Ų1148.3 Ų48.36%0.05824%0.238CC..EExtended strand (participates in β ladder)trans-105.5127.8-176.9172.765.5000110.6R23 L25 T155 L157 Y352R23-L27 WeakPolarHBondContact CD-O 3.42Å; R23-L27 PolarHBondContact NH1-O 3.21Å; L25-L27 HydrophobicContact CB-CB 4.06Å; L25-L27 PolarHBondContact O-N 3.43Å; L27-T155 CarbonylContact C-O 3.58Å; L27-T155 WeakPolarHBondContact CA-O 3.26Å; L27-T155 HydrophobicContact CD1-CG2 3.69Å; L27-L157 HydrophobicContact CD1-CB 4.44Å; L27-L157 HydrophobicContact CD1-CD1 3.65Å; L27-L157 HydrophobicContact CD1-CG 3.66Å; L27-L157 HydrophobicContact CD2-CD1 4.44Å; L27-Y352 HydrophobicContact CD2-CD1 3.42Å; L27-Y352 VanDerWaalsContact CD2-CD1 3.42Å; L27-Y352 HydrophobicContact CD2-CD2 3.7Å; L27-Y352 HydrophobicContact CD2-CE1 3.49Å; L27-Y352 VanDerWaalsContact CD2-CE1 3.49Å; L27-Y352 HydrophobicContact CD2-CE2 3.75Å; L27-Y352 HydrophobicContact CD2-CG 3.53Å
28Y97.7Very high96.1Very high1 Ų148.2 Ų48.20%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-137.7160.9-176.1-58.9-89.7000112R23 A26 D32 D33 V34 L117 F154 T155 V156 L157R23-Y28 VanDerWaalsContact CD-CE1 3.49Å; R23-Y28 HydrophobicContact CG-CE1 4.07Å; A26-Y28 HydrophobicContact CB-CE2 4.44Å; Y28-D32 HydrophobicContact CD1-CB 4.17Å; Y28-D33 WeakPolarHBondContact CE1-O 3.37Å; Y28-V34 HydrophobicContact CD1-CG2 3.8Å; Y28-V34 HydrophobicContact CD2-CG2 4.18Å; Y28-V34 HydrophobicContact CE1-CB 4.2Å; Y28-V34 HydrophobicContact CE1-CG1 4.32Å; Y28-V34 HydrophobicContact CE1-CG2 3.93Å; Y28-V34 HydrophobicContact CE2-CG1 4.23Å; Y28-V34 HydrophobicContact CE2-CG2 4.29Å; Y28-V34 HydrophobicContact CG-CG2 3.94Å; Y28-L117 HydrophobicContact CG-CD1 4.36Å; Y28-F154 HydrophobicContact CD2-CB 4.15Å; Y28-F154 AromaticContact CD2-CD2 3.7Å; Y28-F154 HydrophobicContact CD2-CD2 3.7Å; Y28-F154 HydrophobicContact CD2-CE2 4.44Å; Y28-F154 HydrophobicContact CD2-CG 4.19Å; Y28-F154 HydrophobicContact CE2-CB 4.11Å; Y28-F154 HydrophobicContact CE2-CD2 4.29Å; Y28-F154 HydrophobicContact CE2-CG 4.36Å; Y28-F154 HydrophobicContact CG-CD2 4.49Å; Y28-T155 PolarHBondContact N-O 2.97Å; Y28-V156 CarbonylContact O-C 3.52Å; Y28-V156 VanDerWaalsContact O-CA 3.28Å; Y28-V156 WeakPolarHBondContact O-CA 3.44Å; Y28-L157 PolarHBondContact O-N 2.92Å
29F96.7Very high96.2Very high25 Ų2549.6 Ų49.611%0.1124%0.242CC..  trans-114161.4171-64.5-87000110.2E31 D32 L117 L157 R159 L325 Y352F29-E31 PolarHBondContact O-N 2.7Å; F29-D32 PolarHBondContact N-OD2 3.21Å; F29-D32 VanDerWaalsContact O-CB 3.24Å; F29-D32 WeakPolarHBondContact O-CB 3.42Å; F29-D32 PolarHBondContact O-N 3.14Å; F29-L117 WeakPolarHBondContact O-CD1 3.35Å; F29-L157 HydrophobicContact CD1-CB 4.25Å; F29-L157 WeakPolarHBondContact CD1-O 3.25Å; F29-L157 HydrophobicContact CE1-CB 3.89Å; F29-R159 VanDerWaalsContact CB-NH2 3.3Å; F29-R159 HydrophobicContact CD1-CG 3.87Å; F29-R159 HydrophobicContact CE1-CG 4.24Å; F29-L325 HydrophobicContact CE1-CD1 3.85Å; F29-L325 HydrophobicContact CE1-CD2 4.46Å; F29-L325 HydrophobicContact CZ-CD1 4.44Å; F29-Y352 WeakPolarHBondContact CZ-OH 3.43Å
30P96Very high96.2Very high11 Ų1149.6 Ų49.67%0.07124%0.242CC..THydrogen-bonded Turntrans-50.3141.5166.9-21.328.2000111.3D32 P118 K119 L121 L157P30-D32 PolarHBondContact O-N 2.63Å; P30-P118 WeakPolarHBondContact CB-O 3.07Å; P30-K119 WeakPolarHBondContact CB-O 3.43Å; P30-L121 HydrophobicContact CG-CB 4.16Å; P30-L157 VanDerWaalsContact CD-O 3.23Å; P30-L157 WeakPolarHBondContact CD-O 3.31Å
31E96.2Very high96.2Very high106 Ų10648 Ų4850%0.49524%0.235SC..THydrogen-bonded Turntrans69.2-2.9-173.1-51.3-175.1100.300116.7F29 L117 P118 K119F29-E31 PolarHBondContact O-N 2.7Å; E31-L117 VanDerWaalsContact CA-O 3.25Å; E31-L117 WeakPolarHBondContact CA-O 3.48Å; E31-L117 PolarHBondContact N-O 2.85Å; E31-P118 PolarHBondContact N-O 3.07Å; E31-K119 HydrophobicContact CG-CB 4.05Å; E31-K119 HydrophobicContact CG-CD 4.43Å; E31-K119 HydrophobicContact CG-CG 3.8Å; E31-K119 VanDerWaalsContact OE1-CD 3.23Å; E31-K119 WeakPolarHBondContact OE1-CD 3.08Å; E31-K119 WeakPolarHBondContact OE1-CE 3.4Å; E31-K119 WeakPolarHBondContact OE1-CG 3.33Å; E31-K119 IonicContact OE1-NZ 3.07Å; E31-K119 PolarHBondContact OE1-NZ 3.21Å
32D97.3Very high96Very high28 Ų2846.8 Ų46.815%0.1523%0.23CC..  trans-69.8149170.6-74.61.7000111.2R23 Y28 F29 P30 L117R23-D32 IonicContact CZ-OD2 3.61Å; R23-D32 IonicContact NH1-OD2 2.76Å; R23-D32 PolarHBondContact NH1-OD2 2.93Å; R23-D32 IonicContact NH2-OD2 3.39Å; R23-D32 PolarHBondContact NH2-OD2 2.89Å; R23-D32 VanDerWaalsContact NH2-OD2 3.08Å; Y28-D32 HydrophobicContact CD1-CB 4.17Å; F29-D32 PolarHBondContact N-OD2 3.21Å; F29-D32 VanDerWaalsContact O-CB 3.24Å; F29-D32 WeakPolarHBondContact O-CB 3.42Å; F29-D32 PolarHBondContact O-N 3.14Å; P30-D32 PolarHBondContact O-N 2.63Å; D32-L117 WeakPolarHBondContact O-CB 3.44Å; D32-L117 WeakPolarHBondContact O-CG 3.46Å; D32-L117 PolarHBondContact O-N 2.9Å
33D97.7Very high95.8Very high77 Ų7747.1 Ų47.141%0.41223%0.232SC..EExtended strand (participates in β ladder)trans-82.7124.3168-65.1-42.9000110.6Y28 E35 P116Y28-D33 WeakPolarHBondContact CE1-O 3.37Å; D33-E35 HydrophobicContact CB-CG 4.16Å; D33-E35 PolarHBondContact O-N 3.43Å; D33-P116 VanDerWaalsContact OD1-CA 3.31Å; D33-P116 WeakPolarHBondContact OD1-CA 3.37Å; D33-P116 WeakPolarHBondContact OD1-CB 3.21Å
34V97.7Very high95.6Very high0 Ų046.1 Ų46.10%023%0.23CC..EExtended strand (participates in β ladder)trans-88.198.6172.3-179.40000108.5F21 Y28 F55 Y113 T114 F115 L117 F154F21-V34 HydrophobicContact CD1-CG1 3.81Å; F21-V34 HydrophobicContact CE1-CG1 3.73Å; Y28-V34 HydrophobicContact CD1-CG2 3.8Å; Y28-V34 HydrophobicContact CD2-CG2 4.18Å; Y28-V34 HydrophobicContact CE1-CB 4.2Å; Y28-V34 HydrophobicContact CE1-CG1 4.32Å; Y28-V34 HydrophobicContact CE1-CG2 3.93Å; Y28-V34 HydrophobicContact CE2-CG1 4.23Å; Y28-V34 HydrophobicContact CE2-CG2 4.29Å; Y28-V34 HydrophobicContact CG-CG2 3.94Å; V34-F55 HydrophobicContact CB-CE1 4.25Å; V34-F55 HydrophobicContact CG1-CE1 3.97Å; V34-Y113 HydrophobicContact CG1-CE2 4.34Å; V34-T114 WeakPolarHBondContact O-CA 3.47Å; V34-F115 PolarHBondContact N-O 2.92Å; V34-F115 PolarHBondContact O-N 3.09Å; V34-L117 HydrophobicContact CG2-CD1 3.74Å; V34-L117 HydrophobicContact CG2-CD2 3.9Å; V34-L117 HydrophobicContact CG2-CG 3.68Å; V34-F154 HydrophobicContact CG2-CE2 4.11Å; V34-F154 HydrophobicContact CG2-CZ 4.2Å
35E97.2Very high95.6Very high97 Ų9740.5 Ų40.545%0.45321%0.211SC..EExtended strand (participates in β ladder)trans-103.6149.4-179.1-59.6-178.7125.900111.6D22 D33 Y113D22-E35 PolarHBondContact N-O 2.86Å; D33-E35 HydrophobicContact CB-CG 4.16Å; D33-E35 PolarHBondContact O-N 3.43Å; E35-Y113 WeakPolarHBondContact CA-O 3.2Å
36G97.7Very high95.5Very high2 Ų236.6 Ų36.62%0.02119%0.19CC..EExtended strand (participates in β ladder)trans172.7-168.9-175.600000114.1L20 D22 P112 Y113L20-G36 CarbonylContact O-C 3.52Å; L20-G36 WeakPolarHBondContact O-CA 3.43Å; D22-G36 WeakPolarHBondContact OD1-CA 3.23Å; G36-P112 CarbonylContact O-C 3.56Å; G36-P112 WeakPolarHBondContact O-CA 3.27Å; G36-Y113 PolarHBondContact N-O 2.81Å; G36-Y113 WeakPolarHBondContact O-CD1 3.25Å; G36-Y113 PolarHBondContact O-N 2.9Å
37N97.7Very high95.2Very high40 Ų4043.7 Ų43.721%0.21421%0.214CC..EExtended strand (participates in β ladder)trans-134.8137.1-179.5-66.7-92.2000111L20 L110 I111 P112 Y113L20-N37 WeakPolarHBondContact CB-O 3.49Å; L20-N37 PolarHBondContact N-O 2.86Å; L20-N37 PolarHBondContact O-N 3.37Å; N37-L110 HydrophobicContact CB-CB 4.41Å; N37-L110 HydrophobicContact CB-CD2 4.33Å; N37-I111 CarbonylContact C-O 3.59Å; N37-I111 WeakPolarHBondContact CA-O 3.38Å; N37-P112 WeakPolarHBondContact OD1-CA 3.36Å; N37-Y113 VanDerWaalsContact N-CE1 3.3Å
38V96.6Very high94.8Very high0 Ų043.2 Ų43.20%021%0.211CC..EExtended strand (participates in β ladder)trans-81.1117.9163.7-175.90000107.9F17 I40 L51 L53 L89 I111 Y113 A138F17-V38 HydrophobicContact CD2-CG1 4.25Å; F17-V38 HydrophobicContact CE2-CG1 3.75Å; V38-I40 HydrophobicContact CG1-CD1 4.29Å; V38-I40 HydrophobicContact CG1-CG1 4.02Å; V38-L51 HydrophobicContact CG1-CD1 4.39Å; V38-L51 HydrophobicContact CG1-CD2 4.44Å; V38-L53 HydrophobicContact CG2-CD1 4.28Å; V38-L53 HydrophobicContact CG2-CD2 3.6Å; V38-L53 HydrophobicContact CG2-CG 4.29Å; V38-L89 HydrophobicContact CB-CD1 4.49Å; V38-L89 HydrophobicContact CG2-CD1 3.63Å; V38-I111 HydrophobicContact CB-CB 4.42Å; V38-I111 PolarHBondContact N-O 3.33Å; V38-I111 PolarHBondContact O-N 2.87Å; V38-Y113 HydrophobicContact CG2-CD1 4.02Å; V38-Y113 HydrophobicContact CG2-CE1 4.3Å; V38-A138 HydrophobicContact CG1-CB 4.19Å; V38-A138 HydrophobicContact CG2-CB 4.38Å
39K95.9Very high94.4Very high52 Ų5244.1 Ų44.123%0.22622%0.219CC..EExtended strand (participates in β ladder)trans-94.8122.1177.2-179.8167.2178.8148.30110.2F17 D18 L20 E108 H109 L110F17-K39 WeakPolarHBondContact CA-O 3.15Å; D18-K39 PolarHBondContact N-O 2.78Å; D18-K39 PolarHBondContact O-N 3.07Å; L20-K39 HydrophobicContact CD1-CB 3.8Å; L20-K39 HydrophobicContact CD1-CD 4.03Å; L20-K39 HydrophobicContact CG-CB 4.11Å; K39-E108 WeakPolarHBondContact CE-OE2 3.38Å; K39-E108 IonicContact NZ-OE1 3.72Å; K39-E108 IonicContact NZ-OE2 2.75Å; K39-E108 PolarHBondContact NZ-OE2 3.49Å; K39-H109 WeakPolarHBondContact CA-O 3.24Å; K39-L110 HydrophobicContact CB-CD2 3.83Å; K39-L110 HydrophobicContact CD-CD2 4.24Å; K39-L110 HydrophobicContact CG-CD2 3.95Å
40I95Very high94.2Very high0 Ų044.7 Ų44.70%022%0.223CC..EExtended strand (participates in β ladder)trans-127.5122.2175.7-49.3174.3000108.5C16 F17 V38 L42 L51 L104 H109 I111 I140C16-I40 WeakPolarHBondContact O-CA 3.23Å; F17-I40 HydrophobicContact CD2-CG1 4.02Å; F17-I40 HydrophobicContact CE2-CG1 4.34Å; V38-I40 HydrophobicContact CG1-CD1 4.29Å; V38-I40 HydrophobicContact CG1-CG1 4.02Å; I40-L42 HydrophobicContact CG2-CD1 4.4Å; I40-L42 HydrophobicContact CG2-CD2 3.71Å; I40-L42 HydrophobicContact CG2-CG 3.85Å; I40-L51 HydrophobicContact CD1-CD1 4.46Å; I40-L51 HydrophobicContact CD1-CD2 4.06Å; I40-L104 HydrophobicContact CD1-CD1 4.06Å; I40-H109 HydrophobicContact CB-CB 4.33Å; I40-H109 PolarHBondContact N-O 2.8Å; I40-H109 PolarHBondContact O-N 2.9Å; I40-I111 HydrophobicContact CD1-CD1 4.11Å; I40-I140 HydrophobicContact CD1-CD1 3.93Å; I40-I140 HydrophobicContact CD1-CG1 4.49Å
41T95.1Very high94.1Very high30 Ų3044.2 Ų44.218%0.18422%0.22CC..EExtended strand (participates in β ladder)trans-113.3124.4171.5-49.90000109.4S15 C16 G107S15-T41 PolarHBondContact N-O 3.49Å; S15-T41 WeakPolarHBondContact OG-CB 3.47Å; S15-T41 VanDerWaalsContact OG-CG2 3.25Å; S15-T41 WeakPolarHBondContact OG-CG2 3.43Å; S15-T41 PolarHBondContact OG-O 3.06Å; C16-T41 PolarHBondContact N-O 2.95Å; C16-T41 PolarHBondContact O-N 3.36Å; T41-G107 WeakPolarHBondContact CA-O 3.19Å
42L93.3Very high94.1Very high5 Ų541.5 Ų41.53%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-120125.2-172.5-63.3-179.1000111.6P13 I14 I40 L46 L104 P105 G107P13-L42 WeakPolarHBondContact O-CA 3.36Å; I14-L42 HydrophobicContact CB-CD2 4.31Å; I14-L42 HydrophobicContact CG1-CD2 3.59Å; I40-L42 HydrophobicContact CG2-CD1 4.4Å; I40-L42 HydrophobicContact CG2-CD2 3.71Å; I40-L42 HydrophobicContact CG2-CG 3.85Å; L42-L46 HydrophobicContact CD1-CB 3.72Å; L42-L46 HydrophobicContact CD2-CB 3.96Å; L42-L46 HydrophobicContact CD2-CD2 3.97Å; L42-L46 HydrophobicContact CG-CB 4.5Å; L42-L104 HydrophobicContact CD1-CB 3.49Å; L42-L104 VanDerWaalsContact CD1-CB 3.49Å; L42-L104 HydrophobicContact CD1-CG 4.49Å; L42-P105 WeakPolarHBondContact CD1-O 3.48Å; L42-G107 PolarHBondContact N-O 3.29Å; L42-G107 PolarHBondContact O-N 3.26Å
43N93.2Very high94.1Very high108 Ų10840.1 Ų40.158%0.57820%0.198SC*.SBendtrans-81.8-24.4173.9-63.1-23000112.1P13 S15P13-N43 PolarHBondContact O-N 3.3Å; S15-N43 PolarHBondContact OG-OD1 2.79Å
44K90.9Very high94.2Very high77 Ų7737.1 Ų37.134%0.33518%0.182SC..SBendtrans-137.9153.6176.5-64.1-174.7-176.5-1780108.6V8 D9 P13 L46V8-K44 PolarHBondContact O-NZ 3.01Å; D9-K44 IonicContact OD2-NZ 2.85Å; D9-K44 PolarHBondContact OD2-NZ 3.5Å; P13-K44 HydrophobicContact CB-CB 4.27Å; K44-L46 PolarHBondContact O-N 2.9Å
45P90.5Very high94.2Very high78 Ų7837.1 Ų37.151%0.50618%0.182SC..  trans-53.5134.5173.5-24.933.9000111.7V103 L104P45-V103 HydrophobicContact CB-CG1 3.85Å; P45-L104 CarbonylContact C-O 3.58Å; P45-L104 VanDerWaalsContact CA-O 3.23Å; P45-L104 WeakPolarHBondContact CA-O 3.29Å
46L90.4Very high94.2Very high5 Ų534.5 Ų34.53%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-109.6125.5-17917763.6000109.6P13 I14 L42 K44 L48 V103 L104 I140 Y148P13-L46 HydrophobicContact CG-CD1 3.86Å; I14-L46 HydrophobicContact CD1-CD2 3.88Å; I14-L46 HydrophobicContact CG1-CD2 4.05Å; L42-L46 HydrophobicContact CD1-CB 3.72Å; L42-L46 HydrophobicContact CD2-CB 3.96Å; L42-L46 HydrophobicContact CD2-CD2 3.97Å; L42-L46 HydrophobicContact CG-CB 4.5Å; K44-L46 PolarHBondContact O-N 2.9Å; L46-L48 HydrophobicContact CG-CD2 4.39Å; L46-L48 VanDerWaalsContact O-CD2 3.31Å; L46-L48 WeakPolarHBondContact O-CD2 3.25Å; L46-V103 CarbonylContact O-C 3.55Å; L46-V103 WeakPolarHBondContact O-CA 3.36Å; L46-L104 HydrophobicContact CB-CB 4.48Å; L46-L104 PolarHBondContact N-O 3.36Å; L46-L104 PolarHBondContact O-N 2.87Å; L46-I140 HydrophobicContact CD2-CD1 4.33Å; L46-I140 HydrophobicContact CD2-CG2 4.17Å; L46-Y148 HydrophobicContact CD1-CE2 4.26Å
47R88.6Confident94.2Very high165 Ų16534.4 Ų34.462%0.62317%0.168SC*.EExtended strand (participates in β ladder)trans-87.1129.3168.8-52.5-168.8-179.7173.5-2109.7E101 F102 V103R47-E101 HydrophobicContact CB-CB 4.32Å; R47-E101 WeakPolarHBondContact CB-OE2 3.4Å; R47-E101 VanDerWaalsContact CD-OE2 3.25Å; R47-E101 WeakPolarHBondContact CD-OE2 3.39Å; R47-F102 WeakPolarHBondContact CA-O 3.48Å; R47-V103 HydrophobicContact CG-CG2 4.04Å
48L89.5Confident94.2Very high0 Ų035.7 Ų35.70%017%0.17CC..EExtended strand (participates in β ladder)trans-138.4148.2179.859157.5000110.7L46 L51 F102 L104 I140 S141L46-L48 HydrophobicContact CG-CD2 4.39Å; L46-L48 VanDerWaalsContact O-CD2 3.31Å; L46-L48 WeakPolarHBondContact O-CD2 3.25Å; L48-L51 HydrophobicContact CD1-CB 4.1Å; L48-F102 HydrophobicContact CD1-CD1 4.34Å; L48-F102 HydrophobicContact CD2-CD1 3.85Å; L48-F102 WeakPolarHBondContact CD2-O 3.46Å; L48-F102 HydrophobicContact CG-CB 4.4Å; L48-F102 HydrophobicContact CG-CD1 4.1Å; L48-F102 PolarHBondContact N-O 3.41Å; L48-F102 PolarHBondContact O-N 2.74Å; L48-F102 VanDerWaalsContact O-N 3.09Å; L48-L104 HydrophobicContact CD1-CD1 3.9Å; L48-L104 HydrophobicContact CD2-CB 3.95Å; L48-L104 HydrophobicContact CD2-CD1 3.59Å; L48-L104 HydrophobicContact CD2-CG 3.83Å; L48-L104 HydrophobicContact CG-CD1 4.44Å; L48-I140 HydrophobicContact CB-CG2 3.67Å; L48-I140 HydrophobicContact CD1-CG2 4.09Å; L48-I140 HydrophobicContact CG-CG2 4.47Å; L48-S141 CarbonylContact C-O 3.5Å; L48-S141 WeakPolarHBondContact CA-O 3.48Å
49A89.8Confident94.2Very high20 Ų2035.7 Ų35.717%0.16517%0.17CC..SBendtrans-79.6-45.2174.100000111S141A49-S141 PolarHBondContact N-O 3.04Å
50N92Very high94.2Very high38 Ų3834.3 Ų34.320%0.20317%0.165CC..EExtended strand (participates in β ladder)trans-157.3161.417358.747.7000111.2V90 S141N50-V90 CarbonylContact C-O 3.52Å; N50-V90 WeakPolarHBondContact CA-O 3.22Å; N50-V90 WeakPolarHBondContact CB-O 3.38Å; N50-S141 PolarHBondContact O-N 3.4Å; N50-S141 WeakPolarHBondContact OD1-CB 3.49Å; N50-S141 PolarHBondContact OD1-OG 2.82Å
51L94.5Very high94.1Very high0 Ų034.5 Ų34.50%017%0.166CC..EExtended strand (participates in β ladder)trans-118123.5163.8172.368.1000107.9F17 V38 I40 L48 L89 V90 I111 V139 I140F17-L51 HydrophobicContact CE2-CD1 4.39Å; V38-L51 HydrophobicContact CG1-CD1 4.39Å; V38-L51 HydrophobicContact CG1-CD2 4.44Å; I40-L51 HydrophobicContact CD1-CD1 4.46Å; I40-L51 HydrophobicContact CD1-CD2 4.06Å; L48-L51 HydrophobicContact CD1-CB 4.1Å; L51-L89 HydrophobicContact CD2-CB 4.26Å; L51-L89 HydrophobicContact CD2-CD1 4.14Å; L51-L89 HydrophobicContact CG-CB 4.32Å; L51-L89 HydrophobicContact CG-CD1 4.35Å; L51-L89 PolarHBondContact O-N 2.9Å; L51-V90 HydrophobicContact CB-CB 3.94Å; L51-V90 HydrophobicContact CB-CG2 4.11Å; L51-V90 HydrophobicContact CD2-CG2 4.28Å; L51-V90 PolarHBondContact N-O 3.15Å; L51-V90 PolarHBondContact O-N 2.86Å; L51-I111 HydrophobicContact CD2-CB 4.43Å; L51-I111 HydrophobicContact CD2-CD1 3.29Å; L51-I111 HydrophobicContact CD2-CG1 4.43Å; L51-I111 HydrophobicContact CD2-CG2 4.39Å; L51-V139 WeakPolarHBondContact CA-O 3.47Å; L51-I140 HydrophobicContact CD1-CG1 3.66Å
52R96.1Very high93.8Very high49 Ų4938 Ų3819%0.18518%0.18CC..EExtended strand (participates in β ladder)trans-134.9154.2-179.161.5179.3-177.7116.811111.7E86 V87 V88 A138 V139R52-E86 HydrophobicContact CB-CG 4.27Å; R52-E86 WeakPolarHBondContact CD-OE1 3.06Å; R52-E86 IonicContact CZ-OE2 3.89Å; R52-E86 IonicContact NH1-OE1 3.9Å; R52-E86 IonicContact NH1-OE2 2.82Å; R52-E86 PolarHBondContact NH1-OE2 2.69Å; R52-V87 CarbonylContact C-O 3.57Å; R52-V87 WeakPolarHBondContact CA-O 3.39Å; R52-V88 HydrophobicContact CB-CG2 4.4Å; R52-A138 WeakPolarHBondContact O-CA 3.09Å; R52-V139 HydrophobicContact CG-CB 3.92Å; R52-V139 PolarHBondContact N-O 2.96Å; R52-V139 PolarHBondContact O-N 2.83Å
53L97.7Very high93Very high0 Ų041.4 Ų41.40%020%0.198CC..EExtended strand (participates in β ladder)trans-109.1138.3170.4-63.3-177000110V38 F55 E86 V87 L89 Y113 Q137 A138V38-L53 HydrophobicContact CG2-CD1 4.28Å; V38-L53 HydrophobicContact CG2-CD2 3.6Å; V38-L53 HydrophobicContact CG2-CG 4.29Å; L53-F55 HydrophobicContact CB-CD2 4.22Å; L53-F55 HydrophobicContact CB-CE2 3.78Å; L53-F55 HydrophobicContact CD1-CE2 3.82Å; L53-F55 HydrophobicContact CD1-CZ 4.08Å; L53-F55 HydrophobicContact CG-CE2 4.47Å; L53-E86 CarbonylContact O-C 3.6Å; L53-E86 VanDerWaalsContact O-CA 3.27Å; L53-E86 WeakPolarHBondContact O-CA 3.36Å; L53-V87 HydrophobicContact CB-CB 4.35Å; L53-V87 PolarHBondContact N-O 2.87Å; L53-V87 PolarHBondContact O-N 2.91Å; L53-L89 HydrophobicContact CD1-CD1 3.87Å; L53-L89 HydrophobicContact CD1-CD2 4.36Å; L53-L89 HydrophobicContact CD1-CG 4.35Å; L53-L89 HydrophobicContact CD2-CD1 4.33Å; L53-L89 HydrophobicContact CG-CD1 3.77Å; L53-L89 HydrophobicContact CG-CG 4.16Å; L53-Y113 VanDerWaalsContact CD1-CB 3.44Å; L53-Y113 HydrophobicContact CD1-CD1 3.51Å; L53-Y113 HydrophobicContact CD1-CD2 3.87Å; L53-Y113 HydrophobicContact CD1-CE1 4.17Å; L53-Y113 HydrophobicContact CD1-CG 3.32Å; L53-Q137 CarbonylContact C-O 3.6Å; L53-Q137 WeakPolarHBondContact CA-O 3.36Å; L53-A138 HydrophobicContact CD2-CB 3.44Å; L53-A138 VanDerWaalsContact CD2-CB 3.44Å
54L97.8Very high92.2Very high13 Ų1336.4 Ų36.47%0.06817%0.171CC..EExtended strand (participates in β ladder)trans-113.6108.8171-71.2151.9000107.6K85 E86 Q137 V139L54-K85 CarbonylContact C-O 3.59Å; L54-K85 WeakPolarHBondContact CA-O 3.34Å; L54-E86 HydrophobicContact CD2-CB 4.23Å; L54-E86 HydrophobicContact CD2-CG 4.46Å; L54-Q137 HydrophobicContact CB-CB 4.16Å; L54-Q137 HydrophobicContact CD1-CG 4.49Å; L54-Q137 VanDerWaalsContact CD1-OE1 3.22Å; L54-Q137 PolarHBondContact N-O 3.07Å; L54-Q137 PolarHBondContact O-N 2.71Å; L54-V139 HydrophobicContact CD1-CG2 3.75Å
55F98.1Very high91.1Very high0 Ų036.6 Ų36.60%018%0.18CC..EExtended strand (participates in β ladder)trans-88.5119.2171.5-74.8-90.2000108.6V34 L53 F83 D84 K85 V87 Y113 F115 C136V34-F55 HydrophobicContact CB-CE1 4.25Å; V34-F55 HydrophobicContact CG1-CE1 3.97Å; L53-F55 HydrophobicContact CB-CD2 4.22Å; L53-F55 HydrophobicContact CB-CE2 3.78Å; L53-F55 HydrophobicContact CD1-CE2 3.82Å; L53-F55 HydrophobicContact CD1-CZ 4.08Å; L53-F55 HydrophobicContact CG-CE2 4.47Å; F55-F83 HydrophobicContact CB-CD2 4.29Å; F55-F83 HydrophobicContact CB-CE2 3.94Å; F55-F83 WeakPolarHBondContact O-CD2 3.35Å; F55-D84 WeakPolarHBondContact O-CA 3.3Å; F55-K85 PolarHBondContact N-O 3.1Å; F55-K85 PolarHBondContact O-N 3.26Å; F55-V87 HydrophobicContact CD2-CG2 4.17Å; F55-V87 HydrophobicContact CE2-CG2 4.2Å; F55-Y113 HydrophobicContact CE1-CE2 4.39Å; F55-Y113 AromaticContact CZ-CD2 3.74Å; F55-Y113 HydrophobicContact CZ-CD2 3.74Å; F55-Y113 AromaticContact CZ-CE2 3.83Å; F55-Y113 HydrophobicContact CZ-CE2 3.83Å; F55-F115 HydrophobicContact CB-CD1 3.83Å; F55-F115 HydrophobicContact CB-CD2 4.15Å; F55-F115 HydrophobicContact CB-CE1 3.63Å; F55-F115 HydrophobicContact CB-CE2 3.99Å; F55-F115 HydrophobicContact CB-CG 4.07Å; F55-F115 HydrophobicContact CB-CZ 3.72Å; F55-F115 HydrophobicContact CD1-CB 3.89Å; F55-F115 AromaticContact CD1-CD1 3.45Å; F55-F115 HydrophobicContact CD1-CD1 3.45Å; F55-F115 VanDerWaalsContact CD1-CD1 3.45Å; F55-F115 HydrophobicContact CD1-CD2 4.48Å; F55-F115 HydrophobicContact CD1-CE1 4.09Å; F55-F115 AromaticContact CD1-CG 3.68Å; F55-F115 HydrophobicContact CD1-CG 3.68Å; F55-F115 HydrophobicContact CD2-CB 3.82Å; F55-F115 HydrophobicContact CD2-CD1 4.13Å; F55-F115 AromaticContact CD2-CD2 3.67Å; F55-F115 HydrophobicContact CD2-CD2 3.67Å; F55-F115 HydrophobicContact CD2-CE2 4.28Å; F55-F115 AromaticContact CD2-CG 3.59Å; F55-F115 HydrophobicContact CD2-CG 3.59Å; F55-F115 HydrophobicContact CE1-CB 3.59Å; F55-F115 AromaticContact CE1-CD1 3.99Å; F55-F115 HydrophobicContact CE1-CD1 3.99Å; F55-F115 AromaticContact CE1-CG 3.94Å; F55-F115 HydrophobicContact CE1-CG 3.94Å; F55-F115 HydrophobicContact CE2-CB 3.52Å; F55-F115 HydrophobicContact CE2-CD2 4.18Å; F55-F115 AromaticContact CE2-CG 3.86Å; F55-F115 HydrophobicContact CE2-CG 3.86Å; F55-F115 HydrophobicContact CG-CB 3.99Å; F55-F115 AromaticContact CG-CD1 3.52Å; F55-F115 HydrophobicContact CG-CD1 3.52Å; F55-F115 AromaticContact CG-CD2 3.85Å; F55-F115 HydrophobicContact CG-CD2 3.85Å; F55-F115 AromaticContact CG-CE1 3.9Å; F55-F115 HydrophobicContact CG-CE1 3.9Å; F55-F115 HydrophobicContact CG-CE2 4.2Å; F55-F115 AromaticContact CG-CG 3.49Å; F55-F115 HydrophobicContact CG-CG 3.49Å; F55-F115 VanDerWaalsContact CG-CG 3.49Å; F55-F115 HydrophobicContact CG-CZ 4.22Å; F55-F115 HydrophobicContact CZ-CB 3.4Å; F55-F115 HydrophobicContact CZ-CG 4.03Å; F55-C136 HydrophobicContact CD1-CB 4.08Å; F55-C136 HydrophobicContact CE1-CB 3.78Å; F55-C136 HydrophobicContact CZ-CB 4.24Å
56K97.8Very high89.6Confident43 Ų4334.4 Ų34.419%0.18717%0.169CC..EExtended strand (participates in β ladder)trans-129.1135-176.8-59.3-169.2-178.7-129.60110.5F83 D84 Y134 Y135K56-F83 VanDerWaalsContact C-CE2 3.46Å; K56-F83 WeakPolarHBondContact CA-O 3.38Å; K56-D84 VanDerWaalsContact CE-OD1 3.24Å; K56-D84 WeakPolarHBondContact CE-OD1 3.39Å; K56-D84 WeakPolarHBondContact CE-OD2 3.35Å; K56-D84 IonicContact NZ-OD1 3.79Å; K56-D84 PolarHBondContact NZ-OD1 3.3Å; K56-D84 IonicContact NZ-OD2 3.4Å; K56-D84 PolarHBondContact NZ-OD2 2.77Å; K56-Y134 CarbonylContact O-C 3.56Å; K56-Y134 WeakPolarHBondContact O-CA 3.33Å; K56-Y135 HydrophobicContact CB-CD1 4.31Å; K56-Y135 HydrophobicContact CB-CD2 4.13Å; K56-Y135 HydrophobicContact CB-CE1 3.78Å; K56-Y135 HydrophobicContact CB-CE2 3.63Å; K56-Y135 HydrophobicContact CB-CG 4.48Å; K56-Y135 VanDerWaalsContact CB-CZ 3.43Å; K56-Y135 HydrophobicContact CD-CE2 3.65Å; K56-Y135 WeakPolarHBondContact CD-OH 3.24Å; K56-Y135 HydrophobicContact CG-CE2 3.94Å; K56-Y135 PolarHBondContact N-O 3.26Å; K56-Y135 PolarHBondContact O-N 2.99Å
57G98.1Very high88Confident0 Ų041.9 Ų41.90%021%0.209CC..EExtended strand (participates in β ladder)trans-132.4122.9173.100000109.1Y82 F83 R133 Y134G57-Y82 WeakPolarHBondContact O-CB 3.49Å; G57-Y82 PolarHBondContact O-N 2.84Å; G57-F83 PolarHBondContact N-O 3.01Å; G57-F83 PolarHBondContact O-N 2.92Å; G57-R133 WeakPolarHBondContact CA-O 3.37Å; G57-Y134 VanDerWaalsContact CA-CD1 3.41Å
58R97.2Very high86.2Confident67 Ų6736.1 Ų36.125%0.25320%0.197SC..EExtended strand (participates in β ladder)trans-149.1149.5-178.757.6177.1176.7-170.6-2.4112.3E79 L80 I132 R133 Y135R58-E79 HydrophobicContact CB-CG 4.1Å; R58-E79 VanDerWaalsContact CD-CD 3.41Å; R58-E79 WeakPolarHBondContact CD-OE2 3.16Å; R58-E79 IonicContact CZ-OE2 2.71Å; R58-E79 IonicContact NE-OE2 3.26Å; R58-E79 IonicContact NH1-OE2 3.06Å; R58-E79 PolarHBondContact NH1-OE2 2.81Å; R58-L80 CarbonylContact C-O 3.53Å; R58-L80 VanDerWaalsContact CA-O 3.23Å; R58-L80 WeakPolarHBondContact CA-O 3.07Å; R58-L80 WeakPolarHBondContact CB-O 3.48Å; R58-I132 WeakPolarHBondContact O-CA 3.2Å; R58-R133 PolarHBondContact N-O 2.83Å; R58-R133 PolarHBondContact O-N 2.99Å; R58-Y135 PolarHBondContact NH2-OH 3.03Å
59A97Very high84.4Confident0 Ų048.8 Ų48.80%024%0.244CC..EExtended strand (participates in β ladder)trans-97.6139.8156.700000109.1E79 L80 Y82 S131 I132 C290 I292A59-E79 WeakPolarHBondContact O-CA 3.45Å; A59-L80 HydrophobicContact CB-CB 4.38Å; A59-L80 PolarHBondContact N-O 2.76Å; A59-L80 PolarHBondContact O-N 2.76Å; A59-Y82 HydrophobicContact CB-CE2 4.11Å; A59-Y82 WeakPolarHBondContact CB-OH 3.3Å; A59-S131 CarbonylContact C-O 3.51Å; A59-S131 VanDerWaalsContact CA-O 3.23Å; A59-S131 WeakPolarHBondContact CA-O 3.36Å; A59-I132 HydrophobicContact CB-CG1 3.91Å; A59-C290 VanDerWaalsContact CB-SG 3.54Å; A59-I292 HydrophobicContact CB-CD1 4.07Å; A59-I292 HydrophobicContact CB-CG1 4.31Å
60N95.3Very high82.3Confident23 Ų2350.8 Ų50.812%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-146.6165.1172.965.522.4000111.4C78 E79 G130 S131N60-C78 CarbonylContact C-O 3.5Å; N60-C78 WeakPolarHBondContact CA-O 3.37Å; N60-C78 VanDerWaalsContact CB-O 3.24Å; N60-C78 WeakPolarHBondContact CB-O 3.38Å; N60-E79 HydrophobicContact CB-CB 4.41Å; N60-E79 HydrophobicContact CB-CG 4.39Å; N60-G130 CarbonylContact O-C 3.58Å; N60-G130 WeakPolarHBondContact O-CA 3.49Å; N60-S131 PolarHBondContact N-O 3.08Å; N60-S131 PolarHBondContact O-N 2.87Å; N60-S131 PolarHBondContact OD1-OG 3.06Å
61F93.4Very high80.1Confident4 Ų453.3 Ų53.32%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-136.1151.3157.960.8-110.1000109.7I64 T77 C78 Y129 C238 I239 V248 I292F61-I64 HydrophobicContact CB-CD1 4.26Å; F61-I64 HydrophobicContact CD2-CD1 3.17Å; F61-I64 HydrophobicContact CD2-CG1 4.07Å; F61-I64 HydrophobicContact CE2-CD1 3.52Å; F61-I64 HydrophobicContact CG-CD1 3.78Å; F61-I64 HydrophobicContact CZ-CD1 4.33Å; F61-T77 WeakPolarHBondContact O-CA 3.45Å; F61-C78 HydrophobicContact CD1-CB 4.02Å; F61-C78 HydrophobicContact CD2-CB 4.07Å; F61-C78 HydrophobicContact CE1-CB 3.44Å; F61-C78 VanDerWaalsContact CE1-CB 3.44Å; F61-C78 HydrophobicContact CE2-CB 3.48Å; F61-C78 VanDerWaalsContact CE2-CB 3.48Å; F61-C78 HydrophobicContact CG-CB 4.32Å; F61-C78 HydrophobicContact CZ-CB 3.14Å; F61-C78 PolarHBondContact N-O 2.82Å; F61-C78 PolarHBondContact O-N 2.94Å; F61-C78 VanDerWaalsContact O-N 3.08Å; F61-Y129 CarbonylContact C-O 3.46Å; F61-Y129 WeakPolarHBondContact CA-O 3.17Å; F61-Y129 WeakPolarHBondContact CB-O 3.45Å; F61-C238 HydrophobicContact CB-CB 4.4Å; F61-C238 HydrophobicContact CD1-CB 3.76Å; F61-C238 HydrophobicContact CE1-CB 4.12Å; F61-C238 HydrophobicContact CG-CB 4.03Å; F61-I239 WeakPolarHBondContact CE1-O 3.26Å; F61-V248 HydrophobicContact CE1-CG2 4.13Å; F61-V248 HydrophobicContact CE2-CG2 4.08Å; F61-V248 HydrophobicContact CZ-CG2 3.68Å; F61-I292 HydrophobicContact CD1-CB 4.36Å; F61-I292 HydrophobicContact CD1-CD1 4.44Å; F61-I292 HydrophobicContact CE1-CB 4.12Å
62E88.5Confident77.8Confident104 Ų10455 Ų5549%0.48632%0.32SS..EExtended strand (participates in β ladder)trans-143.8171.3-178.458.2171.4-152.400112.6I64 T77 Y129E62-I64 PolarHBondContact O-N 3.46Å; E62-T77 HydrophobicContact CB-CG2 4.08Å; E62-Y129 PolarHBondContact N-O 2.93Å
63N77.5Confident75.6Confident76 Ų7660.2 Ų60.241%0.40635%0.35SS..EExtended strand (participates in β ladder)trans5919.2175.7-63.1-62.1000115.8P65 K75N63-P65 WeakPolarHBondContact O-CD 3.45Å; N63-K75 PolarHBondContact OD1-NZ 2.81Å
64I75.6Confident73.6Confident3 Ų364.7 Ų64.72%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-74.3122.5173.9-60.1177.1000108.7F61 E62 A66 K75 S76 Y129 C238 V248 A249F61-I64 HydrophobicContact CB-CD1 4.26Å; F61-I64 HydrophobicContact CD2-CD1 3.17Å; F61-I64 HydrophobicContact CD2-CG1 4.07Å; F61-I64 HydrophobicContact CE2-CD1 3.52Å; F61-I64 HydrophobicContact CG-CD1 3.78Å; F61-I64 HydrophobicContact CZ-CD1 4.33Å; E62-I64 PolarHBondContact O-N 3.46Å; I64-A66 PolarHBondContact O-N 3.45Å; I64-A66 VanDerWaalsContact O-N 3.07Å; I64-K75 WeakPolarHBondContact O-CA 3.43Å; I64-S76 PolarHBondContact O-N 2.75Å; I64-Y129 HydrophobicContact CG1-CG 4.44Å; I64-C238 HydrophobicContact CD1-CB 3.81Å; I64-V248 HydrophobicContact CD1-CG2 3.79Å; I64-V248 WeakPolarHBondContact CG2-O 3.23Å; I64-A249 HydrophobicContact CB-CB 4.43Å; I64-A249 HydrophobicContact CD1-CB 3.55Å; I64-A249 HydrophobicContact CG1-CB 3.77Å; I64-A249 HydrophobicContact CG2-CB 3.85Å
65P67.5Low72.1Confident80 Ų8070.2 Ų70.252%0.51940%0.401SS..EExtended strand (participates in β ladder)trans-60.3113.6169.7-16.429.4000108.6N63 N67N63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-N67 PolarHBondContact O-N 2.93Å
66A59.6Low70.9Confident33 Ų3372.2 Ų72.227%0.27342%0.415SS..  trans-69.5133.2171.300000108.9I64 A68 T74I64-A66 PolarHBondContact O-N 3.45Å; I64-A66 VanDerWaalsContact O-N 3.07Å; A66-A68 PolarHBondContact O-N 3.28Å; A66-T74 WeakPolarHBondContact CB-O 3.13Å; A66-T74 PolarHBondContact N-O 3.01Å; A66-T74 VanDerWaalsContact N-O 3.08Å
67N57.6Low70.2Confident162 Ų16275 Ų7587%0.86644%0.436SS*.  trans-71.772164.6-70.7-28.1000108.6P65 R69P65-N67 PolarHBondContact O-N 2.93Å; N67-R69 PolarHBondContact O-N 3.2Å
68A50.4Low69.8Low44 Ų4475.8 Ų75.836%0.36444%0.442SS..  trans-67.3109.8169.700000107.3A66 G70 G72A66-A68 PolarHBondContact O-N 3.28Å; A68-G70 PolarHBondContact O-N 3.05Å; A68-G72 WeakPolarHBondContact CB-O 3.15Å
69R51Low69.6Low265 Ų26576.1 Ų76.1100%145%0.446SS*.SBendtrans-60.911.5164.9-71.3-178.6175.8169.3-0.4113.1N67N67-R69 PolarHBondContact O-N 3.2Å
70G45.1Very low69.5Low62 Ų6278.2 Ų78.264%0.63946%0.457SS*.SBendtrans-154.483.317600000111.6A68 G72A68-G70 PolarHBondContact O-N 3.05Å; G70-G72 VanDerWaalsContact C-N 3.33Å; G70-G72 PolarHBondContact O-N 3.41Å
71G47.2Very low69.6Low92 Ų9280.6 Ų80.695%0.94847%0.473SS*.SBendtrans67.8-6.3146.700000121.4
72G44.8Very low69.7Low36 Ų3683 Ų8337%0.37148%0.482SS..  trans-120.1124.617800000113.1A68 G70 T74A68-G72 WeakPolarHBondContact CB-O 3.15Å; G70-G72 VanDerWaalsContact C-N 3.33Å; G70-G72 PolarHBondContact O-N 3.41Å; G72-T74 PolarHBondContact O-N 3.1Å
73L49.8Very low70.1Confident157 Ų15778.5 Ų78.582%0.82246%0.461SS*.  trans-68.878.3161-94.397.5000108.6
74T56.1Low71.1Confident94 Ų9478.7 Ų78.758%0.57746%0.462SS*.PPolyproline II helixtrans-76.7121.7160.645.90000107A66 G72 S76A66-T74 WeakPolarHBondContact CB-O 3.13Å; A66-T74 PolarHBondContact N-O 3.01Å; A66-T74 VanDerWaalsContact N-O 3.08Å; G72-T74 PolarHBondContact O-N 3.1Å; T74-S76 PolarHBondContact O-N 2.93Å
75K66.4Low72.1Confident129 Ų12984.4 Ų84.456%0.56149%0.486SS*.EExtended strand (participates in β ladder)trans-71.3127169.2-72.7176.1171.3-170.90107.3N63 I64N63-K75 PolarHBondContact OD1-NZ 2.81Å; I64-K75 WeakPolarHBondContact O-CA 3.43Å
76S73Confident73.5Confident42 Ų4285.4 Ų85.429%0.29448%0.484SS..EExtended strand (participates in β ladder)trans-78.6124.3172.7-171.20000108.9I64 T74I64-S76 PolarHBondContact O-N 2.75Å; T74-S76 PolarHBondContact O-N 2.93Å
77T83.1Confident75.2Confident101 Ų10185.7 Ų85.762%0.6248%0.483SS*.EExtended strand (participates in β ladder)trans-121.7137.4171.2580000108.5F61 E62F61-T77 WeakPolarHBondContact O-CA 3.45Å; E62-T77 HydrophobicContact CB-CG2 4.08Å
78C90.4Very high76.9Confident18 Ų1881.1 Ų81.112%0.12246%0.46CS..EExtended strand (participates in β ladder)trans-138.5141177.1-179.20000109.6N60 F61 K241N60-C78 CarbonylContact C-O 3.5Å; N60-C78 WeakPolarHBondContact CA-O 3.37Å; N60-C78 VanDerWaalsContact CB-O 3.24Å; N60-C78 WeakPolarHBondContact CB-O 3.38Å; F61-C78 HydrophobicContact CD1-CB 4.02Å; F61-C78 HydrophobicContact CD2-CB 4.07Å; F61-C78 HydrophobicContact CE1-CB 3.44Å; F61-C78 VanDerWaalsContact CE1-CB 3.44Å; F61-C78 HydrophobicContact CE2-CB 3.48Å; F61-C78 VanDerWaalsContact CE2-CB 3.48Å; F61-C78 HydrophobicContact CG-CB 4.32Å; F61-C78 HydrophobicContact CZ-CB 3.14Å; F61-C78 PolarHBondContact N-O 2.82Å; F61-C78 PolarHBondContact O-N 2.94Å; F61-C78 VanDerWaalsContact O-N 3.08Å; C78-K241 VanDerWaalsContact SG-CB 3.58Å
79E93Very high78.9Confident74 Ų7481 Ų8135%0.34645%0.453SS..EExtended strand (participates in β ladder)trans-131.6139.7176-171.1177.7112.600110.9R58 A59 N60 T81 K241R58-E79 HydrophobicContact CB-CG 4.1Å; R58-E79 VanDerWaalsContact CD-CD 3.41Å; R58-E79 WeakPolarHBondContact CD-OE2 3.16Å; R58-E79 IonicContact CZ-OE2 2.71Å; R58-E79 IonicContact NE-OE2 3.26Å; R58-E79 IonicContact NH1-OE2 3.06Å; R58-E79 PolarHBondContact NH1-OE2 2.81Å; A59-E79 WeakPolarHBondContact O-CA 3.45Å; N60-E79 HydrophobicContact CB-CB 4.41Å; N60-E79 HydrophobicContact CB-CG 4.39Å; E79-T81 PolarHBondContact OE1-OG1 3.12Å; E79-K241 PolarHBondContact O-NZ 3.3Å
80L94.5Very high80.6Confident44 Ų4469.4 Ų69.423%0.2341%0.412CS..EExtended strand (participates in β ladder)trans-121.9108.5167.4-18068.6000108.4R58 A59 Y82 P291 I292R58-L80 CarbonylContact C-O 3.53Å; R58-L80 VanDerWaalsContact CA-O 3.23Å; R58-L80 WeakPolarHBondContact CA-O 3.07Å; R58-L80 WeakPolarHBondContact CB-O 3.48Å; A59-L80 HydrophobicContact CB-CB 4.38Å; A59-L80 PolarHBondContact N-O 2.76Å; A59-L80 PolarHBondContact O-N 2.76Å; L80-Y82 HydrophobicContact CD2-CE1 3.86Å; L80-Y82 HydrophobicContact CG-CE1 4.25Å; L80-P291 HydrophobicContact CD2-CG 4.2Å; L80-I292 HydrophobicContact CB-CD1 3.99Å
81T96.6Very high82.4Confident73 Ų7371.1 Ų71.145%0.44841%0.406SS..EExtended strand (participates in β ladder)trans-84.4124.5178.7-42.40000110.1E79 D84E79-T81 PolarHBondContact OE1-OG1 3.12Å; T81-D84 HydrophobicContact CG2-CB 4.09Å
82Y96.4Very high83.5Confident55 Ų5575.2 Ų75.222%0.21639%0.393CS..EExtended strand (participates in β ladder)trans-85.8-43.2170.7-58-55.4000111.3G57 A59 L80 L122 I132 Y134 C290G57-Y82 WeakPolarHBondContact O-CB 3.49Å; G57-Y82 PolarHBondContact O-N 2.84Å; A59-Y82 HydrophobicContact CB-CE2 4.11Å; A59-Y82 WeakPolarHBondContact CB-OH 3.3Å; L80-Y82 HydrophobicContact CD2-CE1 3.86Å; L80-Y82 HydrophobicContact CG-CE1 4.25Å; Y82-L122 WeakPolarHBondContact OH-CD1 3.24Å; Y82-I132 HydrophobicContact CE2-CG2 4.01Å; Y82-Y134 AromaticContact CD2-CE1 3.85Å; Y82-Y134 HydrophobicContact CD2-CE1 3.85Å; Y82-C290 PolarHBondContact OH-SG 3.48Å
83F97.4Very high84Confident9 Ų979.8 Ų79.84%0.03941%0.408CS..EExtended strand (participates in β ladder)trans-154.8149171.458.8-88.8000110.7F55 K56 G57 K85 F115 L117 P118 L121 Y134 F154F55-F83 HydrophobicContact CB-CD2 4.29Å; F55-F83 HydrophobicContact CB-CE2 3.94Å; F55-F83 WeakPolarHBondContact O-CD2 3.35Å; K56-F83 VanDerWaalsContact C-CE2 3.46Å; K56-F83 WeakPolarHBondContact CA-O 3.38Å; G57-F83 PolarHBondContact N-O 3.01Å; G57-F83 PolarHBondContact O-N 2.92Å; F83-K85 HydrophobicContact CB-CG 4.39Å; F83-F115 HydrophobicContact CD2-CE1 4.15Å; F83-F115 HydrophobicContact CD2-CZ 4.15Å; F83-F115 AromaticContact CE2-CE1 3.94Å; F83-F115 HydrophobicContact CE2-CE1 3.94Å; F83-F115 HydrophobicContact CE2-CZ 4.39Å; F83-L117 HydrophobicContact CE1-CD2 4.33Å; F83-L117 HydrophobicContact CZ-CD2 3.91Å; F83-P118 HydrophobicContact CB-CG 4.13Å; F83-P118 HydrophobicContact CD1-CG 3.77Å; F83-P118 HydrophobicContact CE1-CG 4.44Å; F83-P118 HydrophobicContact CG-CG 4.09Å; F83-L121 HydrophobicContact CD1-CD2 3.73Å; F83-L121 HydrophobicContact CE1-CD1 3.93Å; F83-L121 HydrophobicContact CE1-CD2 3.65Å; F83-L121 HydrophobicContact CE1-CG 4.47Å; F83-Y134 AromaticContact CE1-CD1 3.58Å; F83-Y134 HydrophobicContact CE1-CD1 3.58Å; F83-Y134 AromaticContact CE1-CE1 3.84Å; F83-Y134 HydrophobicContact CE1-CE1 3.84Å; F83-Y134 AromaticContact CZ-CD1 3.71Å; F83-Y134 HydrophobicContact CZ-CD1 3.71Å; F83-Y134 HydrophobicContact CZ-CE1 4.43Å; F83-F154 HydrophobicContact CZ-CZ 4.5Å
84D97.2Very high84.1Confident79 Ų7978.6 Ų78.642%0.42241%0.41SS..EExtended strand (participates in β ladder)trans-142.8103.6167.9-168.1-19000105.3F55 K56 T81F55-D84 WeakPolarHBondContact O-CA 3.3Å; K56-D84 VanDerWaalsContact CE-OD1 3.24Å; K56-D84 WeakPolarHBondContact CE-OD1 3.39Å; K56-D84 WeakPolarHBondContact CE-OD2 3.35Å; K56-D84 IonicContact NZ-OD1 3.79Å; K56-D84 PolarHBondContact NZ-OD1 3.3Å; K56-D84 IonicContact NZ-OD2 3.4Å; K56-D84 PolarHBondContact NZ-OD2 2.77Å; T81-D84 HydrophobicContact CG2-CB 4.09Å
85K97.8Very high83.9Confident123 Ų12378 Ų7854%0.53542%0.423SS..EExtended strand (participates in β ladder)trans-133.2139.9-169.8-64.6-63.8178.5-172.90110.2L54 F55 F83 F115L54-K85 CarbonylContact C-O 3.59Å; L54-K85 WeakPolarHBondContact CA-O 3.34Å; F55-K85 PolarHBondContact N-O 3.1Å; F55-K85 PolarHBondContact O-N 3.26Å; F83-K85 HydrophobicContact CB-CG 4.39Å; K85-F115 HydrophobicContact CB-CE2 3.65Å; K85-F115 HydrophobicContact CB-CZ 3.86Å; K85-F115 HydrophobicContact CG-CE2 4.15Å; K85-F115 HydrophobicContact CG-CZ 4.04Å
86E96.5Very high83.3Confident101 Ų10179.6 Ų79.647%0.47243%0.43SS..EExtended strand (participates in β ladder)trans-108.4136.5-179.5-175.3170.1148.300110.7R52 L53 L54 V88R52-E86 HydrophobicContact CB-CG 4.27Å; R52-E86 WeakPolarHBondContact CD-OE1 3.06Å; R52-E86 IonicContact CZ-OE2 3.89Å; R52-E86 IonicContact NH1-OE1 3.9Å; R52-E86 IonicContact NH1-OE2 2.82Å; R52-E86 PolarHBondContact NH1-OE2 2.69Å; L53-E86 CarbonylContact O-C 3.6Å; L53-E86 VanDerWaalsContact O-CA 3.27Å; L53-E86 WeakPolarHBondContact O-CA 3.36Å; L54-E86 HydrophobicContact CD2-CB 4.23Å; L54-E86 HydrophobicContact CD2-CG 4.46Å; E86-V88 HydrophobicContact CG-CG2 4.4Å
87V95.1Very high82.2Confident40 Ų4086.8 Ų86.824%0.24246%0.459CS..EExtended strand (participates in β ladder)trans-124.2115.5171.8-179.10000107.7R52 L53 F55 L89 F115R52-V87 CarbonylContact C-O 3.57Å; R52-V87 WeakPolarHBondContact CA-O 3.39Å; L53-V87 HydrophobicContact CB-CB 4.35Å; L53-V87 PolarHBondContact N-O 2.87Å; L53-V87 PolarHBondContact O-N 2.91Å; F55-V87 HydrophobicContact CD2-CG2 4.17Å; F55-V87 HydrophobicContact CE2-CG2 4.2Å; V87-L89 HydrophobicContact CG1-CD2 4.04Å; V87-F115 HydrophobicContact CG2-CD2 4.05Å
88V93.5Very high80.8Confident65 Ų6589 Ų8939%0.39447%0.467SS..EExtended strand (participates in β ladder)trans-87.4119.4177.3-171.70000108.7R52 E86 D91R52-V88 HydrophobicContact CB-CG2 4.4Å; E86-V88 HydrophobicContact CG-CG2 4.4Å; V88-D91 HydrophobicContact CG1-CB 3.68Å
89L92Very high79Confident43 Ų4395 Ų9523%0.22550%0.504CS..EExtended strand (participates in β ladder)trans-92.4-37.6-179-59.6-178.8000111.8V38 L51 L53 V87 I111V38-L89 HydrophobicContact CB-CD1 4.49Å; V38-L89 HydrophobicContact CG2-CD1 3.63Å; L51-L89 HydrophobicContact CD2-CB 4.26Å; L51-L89 HydrophobicContact CD2-CD1 4.14Å; L51-L89 HydrophobicContact CG-CB 4.32Å; L51-L89 HydrophobicContact CG-CD1 4.35Å; L51-L89 PolarHBondContact O-N 2.9Å; L53-L89 HydrophobicContact CD1-CD1 3.87Å; L53-L89 HydrophobicContact CD1-CD2 4.36Å; L53-L89 HydrophobicContact CD1-CG 4.35Å; L53-L89 HydrophobicContact CD2-CD1 4.33Å; L53-L89 HydrophobicContact CG-CD1 3.77Å; L53-L89 HydrophobicContact CG-CG 4.16Å; V87-L89 HydrophobicContact CG1-CD2 4.04Å; L89-I111 HydrophobicContact CB-CG2 4.01Å; L89-I111 HydrophobicContact CD1-CG2 3.92Å; L89-I111 HydrophobicContact CG-CG2 4.5Å
90V87.3Confident77.3Confident21 Ų2194.5 Ų94.513%0.12752%0.518CS..EExtended strand (participates in β ladder)trans-132.6117.5176.3-177.20000107.7N50 L51 F102 I111N50-V90 CarbonylContact C-O 3.52Å; N50-V90 WeakPolarHBondContact CA-O 3.22Å; N50-V90 WeakPolarHBondContact CB-O 3.38Å; L51-V90 HydrophobicContact CB-CB 3.94Å; L51-V90 HydrophobicContact CB-CG2 4.11Å; L51-V90 HydrophobicContact CD2-CG2 4.28Å; L51-V90 PolarHBondContact N-O 3.15Å; L51-V90 PolarHBondContact O-N 2.86Å; V90-F102 HydrophobicContact CG1-CB 4.4Å; V90-F102 HydrophobicContact CG1-CD1 3.57Å; V90-F102 HydrophobicContact CG1-CD2 4.14Å; V90-F102 HydrophobicContact CG1-CE1 3.72Å; V90-F102 HydrophobicContact CG1-CE2 4.29Å; V90-F102 HydrophobicContact CG1-CG 3.79Å; V90-F102 HydrophobicContact CG1-CZ 4.1Å; V90-I111 HydrophobicContact CG2-CD1 4.41Å
91D82.6Confident75.9Confident97 Ų9795.3 Ų95.352%0.51952%0.52SS..  trans-128.7169.6172.8-153.2-8.1000110.1V88 L93V88-D91 HydrophobicContact CG1-CB 3.68Å; D91-L93 PolarHBondContact O-N 2.98Å
92R70.4Confident75.1Confident178 Ų17896.5 Ų96.567%0.67252%0.52SS*.PPolyproline II helixtrans-56.7137.6170.9-62.7180-178.6178.5-0.6110P94R92-P94 WeakPolarHBondContact O-CD 3.37Å
93L55.3Low74.7Confident132 Ų13297.2 Ų97.269%0.69153%0.529SS*.PPolyproline II helixtrans-65.1124.1166.7-70.7170.5000108.7D91 G95D91-L93 PolarHBondContact O-N 2.98Å; L93-G95 PolarHBondContact O-N 2.83Å
94P51.7Low74.3Confident132 Ų13297 Ų9786%0.85753%0.529SS*.THydrogen-bonded Turntrans-58131.9172.8-20.130.6000110.3R92R92-P94 WeakPolarHBondContact O-CD 3.37Å
95G52.2Low74.1Confident83 Ų8396.9 Ų96.986%0.85653%0.532SS*.THydrogen-bonded Turntrans95.810.3169.600000117.6L93L93-G95 PolarHBondContact O-N 2.83Å
96K52.3Low73.9Confident161 Ų16194.3 Ų94.370%0.753%0.529SS*.  trans-100.7108.9164.8-72.5-165.7174.8-173.30110.2D98K96-D98 PolarHBondContact O-N 2.87Å
97E50.1Low73.8Confident193 Ų19391 Ų9190%0.90252%0.522SS*.  trans-71.5-14.1174.9-64-171.915800112.8T99E97-T99 PolarHBondContact O-N 2.91Å
98D54Low73.8Confident147 Ų14794.4 Ų94.479%0.78654%0.536SS*.SBendtrans-70.9116.8172.4-87.4-21.5000110.2K96 G100K96-D98 PolarHBondContact O-N 2.87Å; D98-G100 PolarHBondContact O-N 3.45Å
99T53.3Low73.9Confident146 Ų14693 Ų9390%0.89653%0.525SS*.  trans-47.421.3178.955.40000118.8E97 E101E97-T99 PolarHBondContact O-N 2.91Å; T99-E101 PolarHBondContact O-N 2.86Å
100G58Low74.1Confident62 Ų6295.2 Ų95.264%0.63954%0.536SS*.  trans-77.6109.4-175.200000113.6D98D98-G100 PolarHBondContact O-N 3.45Å
101E63.2Low74.6Confident61 Ų6195.7 Ų95.729%0.28554%0.538SS..  trans-51.1148.3157.4-59.9-179.8134.200110.6R47 T99 V103 T143R47-E101 HydrophobicContact CB-CB 4.32Å; R47-E101 WeakPolarHBondContact CB-OE2 3.4Å; R47-E101 VanDerWaalsContact CD-OE2 3.25Å; R47-E101 WeakPolarHBondContact CD-OE2 3.39Å; T99-E101 PolarHBondContact O-N 2.86Å; E101-V103 PolarHBondContact O-N 3.08Å; E101-T143 WeakPolarHBondContact OE1-CB 3.38Å; E101-T143 PolarHBondContact OE1-OG1 3.47Å
102F81.6Confident75.3Confident99 Ų9995.4 Ų95.443%0.43454%0.541SS..EExtended strand (participates in β ladder)trans-68.1132.2172-172.4-104.6000108.5R47 L48 V90 L104R47-F102 WeakPolarHBondContact CA-O 3.48Å; L48-F102 HydrophobicContact CD1-CD1 4.34Å; L48-F102 HydrophobicContact CD2-CD1 3.85Å; L48-F102 WeakPolarHBondContact CD2-O 3.46Å; L48-F102 HydrophobicContact CG-CB 4.4Å; L48-F102 HydrophobicContact CG-CD1 4.1Å; L48-F102 PolarHBondContact N-O 3.41Å; L48-F102 PolarHBondContact O-N 2.74Å; L48-F102 VanDerWaalsContact O-N 3.09Å; V90-F102 HydrophobicContact CG1-CB 4.4Å; V90-F102 HydrophobicContact CG1-CD1 3.57Å; V90-F102 HydrophobicContact CG1-CD2 4.14Å; V90-F102 HydrophobicContact CG1-CE1 3.72Å; V90-F102 HydrophobicContact CG1-CE2 4.29Å; V90-F102 HydrophobicContact CG1-CG 3.79Å; V90-F102 HydrophobicContact CG1-CZ 4.1Å; F102-L104 HydrophobicContact CD1-CG 4.22Å; F102-L104 HydrophobicContact CE1-CD2 4.19Å; F102-L104 HydrophobicContact CE1-CG 3.78Å
103V87.2Confident76.6Confident69 Ų6987.6 Ų87.642%0.41851%0.512SS..EExtended strand (participates in β ladder)trans-113.1106.5178.1-171.10000108.7P45 L46 R47 E101 P105P45-V103 HydrophobicContact CB-CG1 3.85Å; L46-V103 CarbonylContact O-C 3.55Å; L46-V103 WeakPolarHBondContact O-CA 3.36Å; R47-V103 HydrophobicContact CG-CG2 4.04Å; E101-V103 PolarHBondContact O-N 3.08Å; V103-P105 WeakPolarHBondContact O-CD 2.93Å
104L89.3Confident78.6Confident6 Ų684.7 Ų84.73%0.03150%0.5CS..EExtended strand (participates in β ladder)trans-70.6121.2166.8-90.8160000108.1I40 L42 P45 L46 L48 F102 H109I40-L104 HydrophobicContact CD1-CD1 4.06Å; L42-L104 HydrophobicContact CD1-CB 3.49Å; L42-L104 VanDerWaalsContact CD1-CB 3.49Å; L42-L104 HydrophobicContact CD1-CG 4.49Å; P45-L104 CarbonylContact C-O 3.58Å; P45-L104 VanDerWaalsContact CA-O 3.23Å; P45-L104 WeakPolarHBondContact CA-O 3.29Å; L46-L104 HydrophobicContact CB-CB 4.48Å; L46-L104 PolarHBondContact N-O 3.36Å; L46-L104 PolarHBondContact O-N 2.87Å; L48-L104 HydrophobicContact CD1-CD1 3.9Å; L48-L104 HydrophobicContact CD2-CB 3.95Å; L48-L104 HydrophobicContact CD2-CD1 3.59Å; L48-L104 HydrophobicContact CD2-CG 3.83Å; L48-L104 HydrophobicContact CG-CD1 4.44Å; F102-L104 HydrophobicContact CD1-CG 4.22Å; F102-L104 HydrophobicContact CE1-CD2 4.19Å; F102-L104 HydrophobicContact CE1-CG 3.78Å; L104-H109 HydrophobicContact CD2-CB 4.32Å; L104-H109 WeakPolarHBondContact CD2-ND1 3.35Å
105P92.3Very high80.8Confident75 Ų7579.3 Ų79.349%0.48746%0.463SS..PPolyproline II helixtrans-67.6161.8177.228-32.7000110.8L42 V103 H109L42-P105 WeakPolarHBondContact CD1-O 3.48Å; V103-P105 WeakPolarHBondContact O-CD 2.93Å; P105-H109 PolarHBondContact O-NE2 2.82Å
106S93.4Very high83Confident69 Ų6979.1 Ų79.148%0.48345%0.447SS..SBendtrans-58.6146.8170.652.30000111.1
107G94.7Very high85.1Confident31 Ų3171.8 Ų71.832%0.3242%0.415SS..EExtended strand (participates in β ladder)trans128.1-168.9-177.300000112.8T41 L42T41-G107 WeakPolarHBondContact CA-O 3.19Å; L42-G107 PolarHBondContact N-O 3.29Å; L42-G107 PolarHBondContact O-N 3.26Å
108E96.4Very high87.4Confident113 Ų11364.9 Ų64.953%0.52839%0.387SS..EExtended strand (participates in β ladder)trans-97.3135.6176.2-173.7171.410400110.6K39K39-E108 WeakPolarHBondContact CE-OE2 3.38Å; K39-E108 IonicContact NZ-OE1 3.72Å; K39-E108 IonicContact NZ-OE2 2.75Å; K39-E108 PolarHBondContact NZ-OE2 3.49Å
109H95.4Very high89.2Confident35 Ų3564.9 Ų64.916%0.16238%0.38CS..EExtended strand (participates in β ladder)trans-127131177.9-57.7-85.8000109.3K39 I40 L104 P105K39-H109 WeakPolarHBondContact CA-O 3.24Å; I40-H109 HydrophobicContact CB-CB 4.33Å; I40-H109 PolarHBondContact N-O 2.8Å; I40-H109 PolarHBondContact O-N 2.9Å; L104-H109 HydrophobicContact CD2-CB 4.32Å; L104-H109 WeakPolarHBondContact CD2-ND1 3.35Å; P105-H109 PolarHBondContact O-NE2 2.82Å
110L96.7Very high90.9Very high90 Ų9068.7 Ų68.747%0.47138%0.378SS..EExtended strand (participates in β ladder)trans-118.9111.5170.4-66.7175.1000107.4L20 N37 K39L20-L110 HydrophobicContact CD1-CD2 4.31Å; N37-L110 HydrophobicContact CB-CB 4.41Å; N37-L110 HydrophobicContact CB-CD2 4.33Å; K39-L110 HydrophobicContact CB-CD2 3.83Å; K39-L110 HydrophobicContact CD-CD2 4.24Å; K39-L110 HydrophobicContact CG-CD2 3.95Å
111I96.5Very high92.7Very high30 Ų3066 Ų6615%0.15435%0.349CS..EExtended strand (participates in β ladder)trans-109.8109.1-175.5-56.8168.5000107.5N37 V38 I40 L51 L89 V90N37-I111 CarbonylContact C-O 3.59Å; N37-I111 WeakPolarHBondContact CA-O 3.38Å; V38-I111 HydrophobicContact CB-CB 4.42Å; V38-I111 PolarHBondContact N-O 3.33Å; V38-I111 PolarHBondContact O-N 2.87Å; I40-I111 HydrophobicContact CD1-CD1 4.11Å; L51-I111 HydrophobicContact CD2-CB 4.43Å; L51-I111 HydrophobicContact CD2-CD1 3.29Å; L51-I111 HydrophobicContact CD2-CG1 4.43Å; L51-I111 HydrophobicContact CD2-CG2 4.39Å; L89-I111 HydrophobicContact CB-CG2 4.01Å; L89-I111 HydrophobicContact CD1-CG2 3.92Å; L89-I111 HydrophobicContact CG-CG2 4.5Å; V90-I111 HydrophobicContact CG2-CD1 4.41Å
112P97.4Very high94.2Very high91 Ų9164.6 Ų64.659%0.59134%0.343SS*.EExtended strand (participates in β ladder)trans-70.6152.2-173.929.2-35.4000111.4G36 N37G36-P112 CarbonylContact O-C 3.56Å; G36-P112 WeakPolarHBondContact O-CA 3.27Å; N37-P112 WeakPolarHBondContact OD1-CA 3.36Å
113Y97.5Very high94.9Very high14 Ų1460.9 Ų60.96%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-143.8158.317365.4-99.4000110.8V19 L20 F21 V34 E35 G36 N37 V38 L53 F55V19-Y113 HydrophobicContact CG1-CE1 4.04Å; V19-Y113 WeakPolarHBondContact CG1-OH 3.44Å; L20-Y113 PolarHBondContact O-OH 2.84Å; L20-Y113 VanDerWaalsContact O-OH 3.07Å; F21-Y113 WeakPolarHBondContact CD1-OH 3.46Å; F21-Y113 WeakPolarHBondContact CE1-OH 3.2Å; V34-Y113 HydrophobicContact CG1-CE2 4.34Å; E35-Y113 WeakPolarHBondContact CA-O 3.2Å; G36-Y113 PolarHBondContact N-O 2.81Å; G36-Y113 WeakPolarHBondContact O-CD1 3.25Å; G36-Y113 PolarHBondContact O-N 2.9Å; N37-Y113 VanDerWaalsContact N-CE1 3.3Å; V38-Y113 HydrophobicContact CG2-CD1 4.02Å; V38-Y113 HydrophobicContact CG2-CE1 4.3Å; L53-Y113 VanDerWaalsContact CD1-CB 3.44Å; L53-Y113 HydrophobicContact CD1-CD1 3.51Å; L53-Y113 HydrophobicContact CD1-CD2 3.87Å; L53-Y113 HydrophobicContact CD1-CE1 4.17Å; L53-Y113 HydrophobicContact CD1-CG 3.32Å; F55-Y113 HydrophobicContact CE1-CE2 4.39Å; F55-Y113 AromaticContact CZ-CD2 3.74Å; F55-Y113 HydrophobicContact CZ-CD2 3.74Å; F55-Y113 AromaticContact CZ-CE2 3.83Å; F55-Y113 HydrophobicContact CZ-CE2 3.83Å
114T97.5Very high95.4Very high72 Ų7257.6 Ų57.644%0.44231%0.31SS..EExtended strand (participates in β ladder)trans-140.5142.5168.1-177.60000108.7V34V34-T114 WeakPolarHBondContact O-CA 3.47Å
115F97.9Very high95.8Very high18 Ų1857.4 Ų57.48%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-143.7117.3176.8178.7-99.7000111.2V34 F55 F83 K85 V87 L117V34-F115 PolarHBondContact N-O 2.92Å; V34-F115 PolarHBondContact O-N 3.09Å; F55-F115 HydrophobicContact CB-CD1 3.83Å; F55-F115 HydrophobicContact CB-CD2 4.15Å; F55-F115 HydrophobicContact CB-CE1 3.63Å; F55-F115 HydrophobicContact CB-CE2 3.99Å; F55-F115 HydrophobicContact CB-CG 4.07Å; F55-F115 HydrophobicContact CB-CZ 3.72Å; F55-F115 HydrophobicContact CD1-CB 3.89Å; F55-F115 AromaticContact CD1-CD1 3.45Å; F55-F115 HydrophobicContact CD1-CD1 3.45Å; F55-F115 VanDerWaalsContact CD1-CD1 3.45Å; F55-F115 HydrophobicContact CD1-CD2 4.48Å; F55-F115 HydrophobicContact CD1-CE1 4.09Å; F55-F115 AromaticContact CD1-CG 3.68Å; F55-F115 HydrophobicContact CD1-CG 3.68Å; F55-F115 HydrophobicContact CD2-CB 3.82Å; F55-F115 HydrophobicContact CD2-CD1 4.13Å; F55-F115 AromaticContact CD2-CD2 3.67Å; F55-F115 HydrophobicContact CD2-CD2 3.67Å; F55-F115 HydrophobicContact CD2-CE2 4.28Å; F55-F115 AromaticContact CD2-CG 3.59Å; F55-F115 HydrophobicContact CD2-CG 3.59Å; F55-F115 HydrophobicContact CE1-CB 3.59Å; F55-F115 AromaticContact CE1-CD1 3.99Å; F55-F115 HydrophobicContact CE1-CD1 3.99Å; F55-F115 AromaticContact CE1-CG 3.94Å; F55-F115 HydrophobicContact CE1-CG 3.94Å; F55-F115 HydrophobicContact CE2-CB 3.52Å; F55-F115 HydrophobicContact CE2-CD2 4.18Å; F55-F115 AromaticContact CE2-CG 3.86Å; F55-F115 HydrophobicContact CE2-CG 3.86Å; F55-F115 HydrophobicContact CG-CB 3.99Å; F55-F115 AromaticContact CG-CD1 3.52Å; F55-F115 HydrophobicContact CG-CD1 3.52Å; F55-F115 AromaticContact CG-CD2 3.85Å; F55-F115 HydrophobicContact CG-CD2 3.85Å; F55-F115 AromaticContact CG-CE1 3.9Å; F55-F115 HydrophobicContact CG-CE1 3.9Å; F55-F115 HydrophobicContact CG-CE2 4.2Å; F55-F115 AromaticContact CG-CG 3.49Å; F55-F115 HydrophobicContact CG-CG 3.49Å; F55-F115 VanDerWaalsContact CG-CG 3.49Å; F55-F115 HydrophobicContact CG-CZ 4.22Å; F55-F115 HydrophobicContact CZ-CB 3.4Å; F55-F115 HydrophobicContact CZ-CG 4.03Å; F83-F115 HydrophobicContact CD2-CE1 4.15Å; F83-F115 HydrophobicContact CD2-CZ 4.15Å; F83-F115 AromaticContact CE2-CE1 3.94Å; F83-F115 HydrophobicContact CE2-CE1 3.94Å; F83-F115 HydrophobicContact CE2-CZ 4.39Å; K85-F115 HydrophobicContact CB-CE2 3.65Å; K85-F115 HydrophobicContact CB-CZ 3.86Å; K85-F115 HydrophobicContact CG-CE2 4.15Å; K85-F115 HydrophobicContact CG-CZ 4.04Å; V87-F115 HydrophobicContact CG2-CD2 4.05Å; F115-L117 HydrophobicContact CD1-CD2 4.24Å; F115-L117 HydrophobicContact CE1-CD2 4.15Å; F115-L117 PolarHBondContact O-N 2.94Å
116P97.8Very high96Very high80 Ų8054.6 Ų54.652%0.51929%0.289SS..EExtended strand (participates in β ladder)trans-74.6124.3177.928.2-33.2000111.2D33D33-P116 VanDerWaalsContact OD1-CA 3.31Å; D33-P116 WeakPolarHBondContact OD1-CA 3.37Å; D33-P116 WeakPolarHBondContact OD1-CB 3.21Å
117L98Very high96.1Very high7 Ų752.3 Ų52.34%0.03728%0.276CS..PPolyproline II helixtrans-71.3142.6176.8-70.9176.9000112Y28 F29 E31 D32 V34 F83 F115 L121 F154 V156Y28-L117 HydrophobicContact CG-CD1 4.36Å; F29-L117 WeakPolarHBondContact O-CD1 3.35Å; E31-L117 VanDerWaalsContact CA-O 3.25Å; E31-L117 WeakPolarHBondContact CA-O 3.48Å; E31-L117 PolarHBondContact N-O 2.85Å; D32-L117 WeakPolarHBondContact O-CB 3.44Å; D32-L117 WeakPolarHBondContact O-CG 3.46Å; D32-L117 PolarHBondContact O-N 2.9Å; V34-L117 HydrophobicContact CG2-CD1 3.74Å; V34-L117 HydrophobicContact CG2-CD2 3.9Å; V34-L117 HydrophobicContact CG2-CG 3.68Å; F83-L117 HydrophobicContact CE1-CD2 4.33Å; F83-L117 HydrophobicContact CZ-CD2 3.91Å; F115-L117 HydrophobicContact CD1-CD2 4.24Å; F115-L117 HydrophobicContact CE1-CD2 4.15Å; F115-L117 PolarHBondContact O-N 2.94Å; L117-L121 HydrophobicContact CB-CD1 3.95Å; L117-L121 HydrophobicContact CD1-CD1 4.31Å; L117-L121 HydrophobicContact CD2-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD1 4.34Å; L117-F154 HydrophobicContact CD1-CE2 4.14Å; L117-F154 HydrophobicContact CD2-CE2 3.98Å; L117-F154 HydrophobicContact CD2-CZ 3.93Å; L117-V156 HydrophobicContact CD1-CG2 4.18Å
118P96.6Very high96Very high48 Ų4857.3 Ų57.331%0.31229%0.289SS..PPolyproline II helixtrans-60.1159.4172.9-25.233.9000113.8P30 E31 F83 R120 L121P30-P118 WeakPolarHBondContact CB-O 3.07Å; E31-P118 PolarHBondContact N-O 3.07Å; F83-P118 HydrophobicContact CB-CG 4.13Å; F83-P118 HydrophobicContact CD1-CG 3.77Å; F83-P118 HydrophobicContact CE1-CG 4.44Å; F83-P118 HydrophobicContact CG-CG 4.09Å; P118-R120 PolarHBondContact O-N 2.89Å; P118-L121 HydrophobicContact CB-CD2 4.09Å; P118-L121 HydrophobicContact CB-CG 4.47Å; P118-L121 HydrophobicContact CG-CD2 4.27Å
119K92.4Very high95.8Very high147 Ų14754.5 Ų54.564%0.63927%0.274SS*.SBendtrans-67.4-30.7-176.2-49.9-154.3173.2-133.70116P30 E31P30-K119 WeakPolarHBondContact CB-O 3.43Å; E31-K119 HydrophobicContact CG-CB 4.05Å; E31-K119 HydrophobicContact CG-CD 4.43Å; E31-K119 HydrophobicContact CG-CG 3.8Å; E31-K119 VanDerWaalsContact OE1-CD 3.23Å; E31-K119 WeakPolarHBondContact OE1-CD 3.08Å; E31-K119 WeakPolarHBondContact OE1-CE 3.4Å; E31-K119 WeakPolarHBondContact OE1-CG 3.33Å; E31-K119 IonicContact OE1-NZ 3.07Å; E31-K119 PolarHBondContact OE1-NZ 3.21Å
120R89.2Confident95.7Very high226 Ų22653 Ų5385%0.85327%0.268SS*.  trans-121.185.5-170.6-69.8-173.8-69.1-162.8-2.2109.4P118P118-R120 PolarHBondContact O-N 2.89Å
121L95.5Very high95.7Very high4 Ų449 Ų492%0.02125%0.248CC..  trans-120.6141.2176-56.3-180000109.4P30 F83 L117 P118 Y134 V156 S158P30-L121 HydrophobicContact CG-CB 4.16Å; F83-L121 HydrophobicContact CD1-CD2 3.73Å; F83-L121 HydrophobicContact CE1-CD1 3.93Å; F83-L121 HydrophobicContact CE1-CD2 3.65Å; F83-L121 HydrophobicContact CE1-CG 4.47Å; L117-L121 HydrophobicContact CB-CD1 3.95Å; L117-L121 HydrophobicContact CD1-CD1 4.31Å; L117-L121 HydrophobicContact CD2-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD1 4.34Å; P118-L121 HydrophobicContact CB-CD2 4.09Å; P118-L121 HydrophobicContact CB-CG 4.47Å; P118-L121 HydrophobicContact CG-CD2 4.27Å; L121-Y134 HydrophobicContact CB-CE1 4.28Å; L121-Y134 HydrophobicContact CD1-CE1 4.25Å; L121-Y134 HydrophobicContact CD2-CE1 4.04Å; L121-Y134 HydrophobicContact CG-CE1 4.43Å; L121-V156 HydrophobicContact CB-CG1 3.91Å; L121-V156 HydrophobicContact CD1-CG1 4.15Å; L121-V156 HydrophobicContact CD1-CG2 4.4Å; L121-S158 VanDerWaalsContact O-CB 3.22Å; L121-S158 WeakPolarHBondContact O-CB 3.42Å
122L95.5Very high95.8Very high33 Ų3348 Ų4817%0.17324%0.242CC..PPolyproline II helixtrans-86155.9176-59.4-172.2000111.1Y82 I132 Y134 C290Y82-L122 WeakPolarHBondContact OH-CD1 3.24Å; L122-I132 HydrophobicContact CB-CD1 4.21Å; L122-I132 HydrophobicContact CB-CG2 4.46Å; L122-I132 HydrophobicContact CD1-CD1 4.34Å; L122-Y134 PolarHBondContact N-OH 3.01Å; L122-Y134 VanDerWaalsContact O-CE2 3.26Å; L122-Y134 WeakPolarHBondContact O-CE2 3.43Å; L122-Y134 VanDerWaalsContact O-CZ 3.32Å; L122-Y134 PolarHBondContact O-OH 2.8Å; L122-C290 HydrophobicContact CD1-CB 3.47Å; L122-C290 VanDerWaalsContact CD1-CB 3.47Å
123S96.5Very high95.7Very high21 Ų2145 Ų4515%0.14722%0.219CC..PPolyproline II helixtrans-57.5141.5174.3-66.30000111.6I132 V156 S158 C161S123-I132 WeakPolarHBondContact O-CG2 3.34Å; S123-V156 CarbonylContact C-O 3.56Å; S123-V156 VanDerWaalsContact CA-O 3.31Å; S123-V156 WeakPolarHBondContact CA-O 3.12Å; S123-S158 PolarHBondContact OG-N 2.88Å; S123-C161 PolarHBondContact OG-SG 2.88Å
124S97.9Very high95.8Very high0 Ų044.3 Ų44.30%022%0.217CC..PPolyproline II helixtrans-61.9145.2177-55.80000110.5I132 Y134 V156 Y380S124-I132 VanDerWaalsContact CA-O 3.3Å; S124-I132 WeakPolarHBondContact CA-O 3.5Å; S124-Y134 WeakPolarHBondContact OG-CD2 3.43Å; S124-V156 PolarHBondContact N-O 2.71Å; S124-V156 PolarHBondContact OG-N 3.23Å; S124-V156 PolarHBondContact OG-O 2.83Å; S124-Y380 PolarHBondContact O-OH 2.71Å
125Y97.3Very high95.7Very high2 Ų241.3 Ų41.31%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-149.9138.2-176.6177.2-101.2000110.8G127 S131 I132 Q234 P284 L293 I295Y125-G127 VanDerWaalsContact CE1-CA 3.44Å; Y125-S131 CarbonylContact O-C 3.59Å; Y125-S131 VanDerWaalsContact O-CA 3.24Å; Y125-S131 WeakPolarHBondContact O-CA 3.37Å; Y125-S131 WeakPolarHBondContact O-CB 3.41Å; Y125-I132 PolarHBondContact N-O 3.02Å; Y125-I132 PolarHBondContact O-N 3.06Å; Y125-Q234 PolarHBondContact OH-OE1 2.84Å; Y125-P284 HydrophobicContact CD2-CB 4.21Å; Y125-P284 HydrophobicContact CD2-CG 3.67Å; Y125-P284 HydrophobicContact CE2-CG 3.88Å; Y125-L293 HydrophobicContact CD1-CD2 3.49Å; Y125-L293 VanDerWaalsContact CD1-CD2 3.49Å; Y125-L293 HydrophobicContact CE1-CD2 3.81Å; Y125-L293 HydrophobicContact CE1-CG 4.45Å; Y125-L293 HydrophobicContact CG-CD2 4.48Å; Y125-I295 HydrophobicContact CD1-CD1 4.3Å; Y125-I295 HydrophobicContact CD2-CD1 3.24Å; Y125-I295 HydrophobicContact CD2-CG1 4Å; Y125-I295 HydrophobicContact CE1-CD1 4.47Å; Y125-I295 HydrophobicContact CE1-CG1 4.38Å; Y125-I295 HydrophobicContact CE2-CD1 3.49Å; Y125-I295 VanDerWaalsContact CE2-CD1 3.49Å; Y125-I295 HydrophobicContact CE2-CG1 3.72Å; Y125-I295 HydrophobicContact CE2-CG2 4.25Å; Y125-I295 HydrophobicContact CG-CD1 3.69Å; Y125-I295 HydrophobicContact CG-CG1 4.44Å
126E96.9Very high95.7Very high16 Ų1640.4 Ų40.48%0.07519%0.193CC..EExtended strand (participates in β ladder)trans-128.7107.5173.6-65.1-63158.300108.9R133 R253 S360 F376 P378E126-R133 VanDerWaalsContact CD-NH2 3.28Å; E126-R133 IonicContact OE1-CZ 3.29Å; E126-R133 IonicContact OE1-NE 2.71Å; E126-R133 PolarHBondContact OE1-NE 2.71Å; E126-R133 IonicContact OE1-NH2 3.69Å; E126-R133 PolarHBondContact OE1-NH2 3.19Å; E126-R133 IonicContact OE2-CZ 2.74Å; E126-R133 IonicContact OE2-NE 3.55Å; E126-R133 IonicContact OE2-NH2 2.71Å; E126-R133 PolarHBondContact OE2-NH2 3.06Å; E126-R253 PolarHBondContact O-NH1 2.96Å; E126-R253 PolarHBondContact O-NH2 3.43Å; E126-S360 WeakPolarHBondContact CB-OG 3.5Å; E126-F376 HydrophobicContact CG-CD1 4.05Å; E126-F376 HydrophobicContact CG-CE1 4.16Å; E126-F376 WeakPolarHBondContact OE1-CD1 3.12Å; E126-P378 HydrophobicContact CB-CG 4.36Å; E126-P378 HydrophobicContact CG-CG 3.7Å
127G94.6Very high95.6Very high21 Ų2138.4 Ų38.422%0.21618%0.177CC..  trans-112.3-163-179.100000112.8Y125 G130 E236Y125-G127 VanDerWaalsContact CE1-CA 3.44Å; G127-G130 WeakPolarHBondContact CA-O 3.46Å; G127-G130 PolarHBondContact N-O 3.07Å; G127-E236 VanDerWaalsContact CA-OE2 3.29Å; G127-E236 WeakPolarHBondContact CA-OE2 3.3Å
128K92.3Very high95.5Very high135 Ų13538.1 Ų38.159%0.58718%0.175SC*.SBendtrans-83.1-46.5-178-178.1-177.1179.8-172.20110.9E236 S251K128-E236 PolarHBondContact N-OE1 3.45Å; K128-E236 PolarHBondContact N-OE2 2.79Å; K128-S251 WeakPolarHBondContact CD-OG 3.47Å
129Y92.6Very high95.5Very high55 Ų5535.9 Ų35.922%0.21616%0.161CC..SBendtrans-106.4-32.5179.7-55.8-60.7000111.8F61 E62 I64 E236 A249F61-Y129 CarbonylContact C-O 3.46Å; F61-Y129 WeakPolarHBondContact CA-O 3.17Å; F61-Y129 WeakPolarHBondContact CB-O 3.45Å; E62-Y129 PolarHBondContact N-O 2.93Å; I64-Y129 HydrophobicContact CG1-CG 4.44Å; Y129-E236 WeakPolarHBondContact CD2-OE1 3.48Å; Y129-E236 PolarHBondContact N-OE1 2.88Å; Y129-A249 HydrophobicContact CD2-CB 3.89Å; Y129-A249 HydrophobicContact CE2-CB 4.05Å; Y129-A249 HydrophobicContact CG-CB 4.43Å
130G93.9Very high95.6Very high4 Ų428.9 Ų28.94%0.04113%0.131CC..EExtended strand (participates in β ladder)trans-114155.1-173.300000114.4N60 G127 E236N60-G130 CarbonylContact O-C 3.58Å; N60-G130 WeakPolarHBondContact O-CA 3.49Å; G127-G130 WeakPolarHBondContact CA-O 3.46Å; G127-G130 PolarHBondContact N-O 3.07Å; G130-E236 PolarHBondContact N-OE2 2.76Å
131S96.1Very high95.7Very high6 Ų618.9 Ų18.94%0.04210%0.095CC..EExtended strand (participates in β ladder)trans-141.4152.4171.470.70000111.4A59 N60 Y125A59-S131 CarbonylContact C-O 3.51Å; A59-S131 VanDerWaalsContact CA-O 3.23Å; A59-S131 WeakPolarHBondContact CA-O 3.36Å; N60-S131 PolarHBondContact N-O 3.08Å; N60-S131 PolarHBondContact O-N 2.87Å; N60-S131 PolarHBondContact OD1-OG 3.06Å; Y125-S131 CarbonylContact O-C 3.59Å; Y125-S131 VanDerWaalsContact O-CA 3.24Å; Y125-S131 WeakPolarHBondContact O-CA 3.37Å; Y125-S131 WeakPolarHBondContact O-CB 3.41Å
132I97.7Very high95.4Very high7 Ų719.9 Ų19.94%0.03610%0.099CC..EExtended strand (participates in β ladder)trans-118.2104.3163.5-60.2178000105.6R58 A59 Y82 L122 S123 S124 Y125 Y134 C290 L293R58-I132 WeakPolarHBondContact O-CA 3.2Å; A59-I132 HydrophobicContact CB-CG1 3.91Å; Y82-I132 HydrophobicContact CE2-CG2 4.01Å; L122-I132 HydrophobicContact CB-CD1 4.21Å; L122-I132 HydrophobicContact CB-CG2 4.46Å; L122-I132 HydrophobicContact CD1-CD1 4.34Å; S123-I132 WeakPolarHBondContact O-CG2 3.34Å; S124-I132 VanDerWaalsContact CA-O 3.3Å; S124-I132 WeakPolarHBondContact CA-O 3.5Å; Y125-I132 PolarHBondContact N-O 3.02Å; Y125-I132 PolarHBondContact O-N 3.06Å; I132-Y134 HydrophobicContact CG2-CE2 3.81Å; I132-C290 HydrophobicContact CD1-CB 4.13Å; I132-L293 HydrophobicContact CG1-CD2 4.16Å
133R97.1Very high95Very high28 Ų2821.9 Ų21.911%0.10611%0.112CC..EExtended strand (participates in β ladder)trans-127.2139-171.1-163.5176.4-58142.614.4112G57 R58 E126 Y135 P153 F362 F376G57-R133 WeakPolarHBondContact CA-O 3.37Å; R58-R133 PolarHBondContact N-O 2.83Å; R58-R133 PolarHBondContact O-N 2.99Å; E126-R133 VanDerWaalsContact CD-NH2 3.28Å; E126-R133 IonicContact OE1-CZ 3.29Å; E126-R133 IonicContact OE1-NE 2.71Å; E126-R133 PolarHBondContact OE1-NE 2.71Å; E126-R133 IonicContact OE1-NH2 3.69Å; E126-R133 PolarHBondContact OE1-NH2 3.19Å; E126-R133 IonicContact OE2-CZ 2.74Å; E126-R133 IonicContact OE2-NE 3.55Å; E126-R133 IonicContact OE2-NH2 2.71Å; E126-R133 PolarHBondContact OE2-NH2 3.06Å; R133-Y135 HydrophobicContact CG-CD1 4.33Å; R133-P153 HydrophobicContact CG-CB 4.35Å; R133-F362 VanDerWaalsContact CZ-CE1 3.47Å; R133-F362 VanDerWaalsContact NH2-CE1 3.26Å; R133-F376 HydrophobicContact CG-CE1 4.35Å
134Y98.2Very high94.5Very high0 Ų024.3 Ų24.30%014%0.141CC..EExtended strand (participates in β ladder)trans-120.6132.6173.6-53.1-83.3000108.8K56 G57 Y82 F83 L121 L122 S124 I132 P153 F154 V156K56-Y134 CarbonylContact O-C 3.56Å; K56-Y134 WeakPolarHBondContact O-CA 3.33Å; G57-Y134 VanDerWaalsContact CA-CD1 3.41Å; Y82-Y134 AromaticContact CD2-CE1 3.85Å; Y82-Y134 HydrophobicContact CD2-CE1 3.85Å; F83-Y134 AromaticContact CE1-CD1 3.58Å; F83-Y134 HydrophobicContact CE1-CD1 3.58Å; F83-Y134 AromaticContact CE1-CE1 3.84Å; F83-Y134 HydrophobicContact CE1-CE1 3.84Å; F83-Y134 AromaticContact CZ-CD1 3.71Å; F83-Y134 HydrophobicContact CZ-CD1 3.71Å; F83-Y134 HydrophobicContact CZ-CE1 4.43Å; L121-Y134 HydrophobicContact CB-CE1 4.28Å; L121-Y134 HydrophobicContact CD1-CE1 4.25Å; L121-Y134 HydrophobicContact CD2-CE1 4.04Å; L121-Y134 HydrophobicContact CG-CE1 4.43Å; L122-Y134 PolarHBondContact N-OH 3.01Å; L122-Y134 VanDerWaalsContact O-CE2 3.26Å; L122-Y134 WeakPolarHBondContact O-CE2 3.43Å; L122-Y134 VanDerWaalsContact O-CZ 3.32Å; L122-Y134 PolarHBondContact O-OH 2.8Å; S124-Y134 WeakPolarHBondContact OG-CD2 3.43Å; I132-Y134 HydrophobicContact CG2-CE2 3.81Å; Y134-P153 CarbonylContact O-C 3.53Å; Y134-P153 VanDerWaalsContact O-CA 3.24Å; Y134-P153 WeakPolarHBondContact O-CA 3.24Å; Y134-F154 HydrophobicContact CG-CE2 4.34Å; Y134-F154 PolarHBondContact O-N 2.9Å; Y134-V156 HydrophobicContact CD1-CG2 4.19Å; Y134-V156 HydrophobicContact CD2-CB 3.62Å; Y134-V156 HydrophobicContact CD2-CG2 3.46Å; Y134-V156 VanDerWaalsContact CD2-CG2 3.46Å; Y134-V156 HydrophobicContact CE2-CB 3.58Å; Y134-V156 HydrophobicContact CE2-CG1 4.31Å; Y134-V156 HydrophobicContact CE2-CG2 3.86Å; Y134-V156 HydrophobicContact CG-CB 4.29Å; Y134-V156 HydrophobicContact CG-CG2 3.63Å
135Y96.5Very high94Very high9 Ų927.4 Ų27.44%0.03516%0.155CC..EExtended strand (participates in β ladder)trans-149.8152.3-177.757.5-86.4000112K56 R58 R133 Q137 E151 R152K56-Y135 HydrophobicContact CB-CD1 4.31Å; K56-Y135 HydrophobicContact CB-CD2 4.13Å; K56-Y135 HydrophobicContact CB-CE1 3.78Å; K56-Y135 HydrophobicContact CB-CE2 3.63Å; K56-Y135 HydrophobicContact CB-CG 4.48Å; K56-Y135 VanDerWaalsContact CB-CZ 3.43Å; K56-Y135 HydrophobicContact CD-CE2 3.65Å; K56-Y135 WeakPolarHBondContact CD-OH 3.24Å; K56-Y135 HydrophobicContact CG-CE2 3.94Å; K56-Y135 PolarHBondContact N-O 3.26Å; K56-Y135 PolarHBondContact O-N 2.99Å; R58-Y135 PolarHBondContact NH2-OH 3.03Å; R133-Y135 HydrophobicContact CG-CD1 4.33Å; Y135-Q137 HydrophobicContact CD2-CB 4.31Å; Y135-Q137 HydrophobicContact CE2-CB 4.49Å; Y135-E151 HydrophobicContact CD2-CG 3.56Å; Y135-E151 VanDerWaalsContact CD2-OE2 3.25Å; Y135-E151 WeakPolarHBondContact CD2-OE2 3.33Å; Y135-E151 HydrophobicContact CE2-CG 4.37Å; Y135-E151 WeakPolarHBondContact CE2-OE2 3.29Å; Y135-E151 HydrophobicContact CG-CG 3.98Å; Y135-R152 WeakPolarHBondContact CA-O 3.38Å
136C97.2Very high93.6Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-106.8122.4168.7178.80000108V19 F21 F55 E151 R152V19-C136 HydrophobicContact CG1-CB 4.03Å; F21-C136 HydrophobicContact CE1-CB 4.2Å; F21-C136 HydrophobicContact CZ-CB 4.22Å; F55-C136 HydrophobicContact CD1-CB 4.08Å; F55-C136 HydrophobicContact CE1-CB 3.78Å; F55-C136 HydrophobicContact CZ-CB 4.24Å; C136-E151 CarbonylContact O-C 3.6Å; C136-E151 WeakPolarHBondContact O-CA 3.49Å; C136-R152 PolarHBondContact N-O 2.89Å; C136-R152 PolarHBondContact O-N 2.9Å
137Q95.8Very high93.3Very high38 Ų3836.8 Ų36.818%0.17820%0.201CC..EExtended strand (participates in β ladder)trans-110.3116.9177.5175.1-17998.200109.5L53 L54 Y135 V139 V149 T150 E151L53-Q137 CarbonylContact C-O 3.6Å; L53-Q137 WeakPolarHBondContact CA-O 3.36Å; L54-Q137 HydrophobicContact CB-CB 4.16Å; L54-Q137 HydrophobicContact CD1-CG 4.49Å; L54-Q137 VanDerWaalsContact CD1-OE1 3.22Å; L54-Q137 PolarHBondContact N-O 3.07Å; L54-Q137 PolarHBondContact O-N 2.71Å; Y135-Q137 HydrophobicContact CD2-CB 4.31Å; Y135-Q137 HydrophobicContact CE2-CB 4.49Å; Q137-V139 HydrophobicContact CG-CG2 4.1Å; Q137-V149 HydrophobicContact CG-CG1 3.47Å; Q137-V149 VanDerWaalsContact CG-CG1 3.47Å; Q137-T150 CarbonylContact C-O 3.54Å; Q137-T150 VanDerWaalsContact CA-O 3.3Å; Q137-T150 WeakPolarHBondContact CA-O 3.46Å; Q137-E151 HydrophobicContact CB-CB 4.41Å; Q137-E151 HydrophobicContact CB-CG 4.38Å; Q137-E151 PolarHBondContact NE2-OE2 2.77Å; Q137-E151 VanDerWaalsContact NE2-OE2 3.12Å
138A96.2Very high93.2Very high0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-90134.7172.600000110.5F17 V19 V38 R52 L53 V149 T150F17-A138 HydrophobicContact CE2-CB 3.75Å; F17-A138 HydrophobicContact CZ-CB 3.59Å; F17-A138 WeakPolarHBondContact CZ-O 3.45Å; V19-A138 HydrophobicContact CG2-CB 3.61Å; V38-A138 HydrophobicContact CG1-CB 4.19Å; V38-A138 HydrophobicContact CG2-CB 4.38Å; R52-A138 WeakPolarHBondContact O-CA 3.09Å; L53-A138 HydrophobicContact CD2-CB 3.44Å; L53-A138 VanDerWaalsContact CD2-CB 3.44Å; A138-V149 WeakPolarHBondContact O-CA 3.11Å; A138-T150 HydrophobicContact CB-CG2 3.85Å; A138-T150 PolarHBondContact N-O 2.9Å; A138-T150 PolarHBondContact O-N 3.47Å
139V95.5Very high93.3Very high2 Ų231.6 Ų31.61%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-128.2120.7-178.7-175.10000109.7L51 R52 L54 Q137 N147 Y148 V149L51-V139 WeakPolarHBondContact CA-O 3.47Å; R52-V139 HydrophobicContact CG-CB 3.92Å; R52-V139 PolarHBondContact N-O 2.96Å; R52-V139 PolarHBondContact O-N 2.83Å; L54-V139 HydrophobicContact CD1-CG2 3.75Å; Q137-V139 HydrophobicContact CG-CG2 4.1Å; V139-N147 HydrophobicContact CG1-CB 3.84Å; V139-Y148 WeakPolarHBondContact CA-O 3.35Å; V139-V149 HydrophobicContact CG1-CG2 4.36Å; V139-V149 HydrophobicContact CG2-CG1 4.31Å; V139-V149 HydrophobicContact CG2-CG2 4.33Å
140I94.5Very high93.3Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-96.5109.2166.8-61.9164.5000107.5I14 F17 I40 L46 L48 L51 R142 N147 Y148I14-I140 HydrophobicContact CD1-CD1 4.05Å; F17-I140 HydrophobicContact CD1-CD1 4.36Å; F17-I140 HydrophobicContact CD2-CD1 4.04Å; F17-I140 HydrophobicContact CE1-CD1 4.12Å; F17-I140 HydrophobicContact CE1-CG1 4.26Å; F17-I140 HydrophobicContact CE2-CD1 3.77Å; F17-I140 HydrophobicContact CE2-CG1 4.01Å; F17-I140 HydrophobicContact CG-CD1 4.32Å; F17-I140 HydrophobicContact CZ-CD1 3.81Å; F17-I140 HydrophobicContact CZ-CG1 3.73Å; I40-I140 HydrophobicContact CD1-CD1 3.93Å; I40-I140 HydrophobicContact CD1-CG1 4.49Å; L46-I140 HydrophobicContact CD2-CD1 4.33Å; L46-I140 HydrophobicContact CD2-CG2 4.17Å; L48-I140 HydrophobicContact CB-CG2 3.67Å; L48-I140 HydrophobicContact CD1-CG2 4.09Å; L48-I140 HydrophobicContact CG-CG2 4.47Å; L51-I140 HydrophobicContact CD1-CG1 3.66Å; I140-R142 HydrophobicContact CG2-CG 4.3Å; I140-N147 WeakPolarHBondContact O-CA 3.48Å; I140-Y148 HydrophobicContact CB-CD2 4.49Å; I140-Y148 HydrophobicContact CG2-CD2 4.49Å; I140-Y148 PolarHBondContact N-O 2.87Å; I140-Y148 PolarHBondContact O-N 3.47Å
141S92.5Very high93.3Very high15 Ų1530.3 Ų30.311%0.10517%0.169CC..EExtended strand (participates in β ladder)trans-85138.5176.7-50.10000110.5L48 A49 N50 N147L48-S141 CarbonylContact C-O 3.5Å; L48-S141 WeakPolarHBondContact CA-O 3.48Å; A49-S141 PolarHBondContact N-O 3.04Å; N50-S141 PolarHBondContact O-N 3.4Å; N50-S141 WeakPolarHBondContact OD1-CB 3.49Å; N50-S141 PolarHBondContact OD1-OG 2.82Å; S141-N147 WeakPolarHBondContact CA-OD1 3.23Å
142R89.5Confident93.3Very high26 Ų2635.2 Ų35.210%0.09819%0.187CC..  trans-130.6128.9-176.8-66.4171.859.2-155.3-0.6110.3A6 I140 G144 H145 Y148A6-R142 PolarHBondContact O-NH2 3.01Å; I140-R142 HydrophobicContact CG2-CG 4.3Å; R142-G144 PolarHBondContact O-N 3.23Å; R142-H145 HydrophobicContact CB-CB 3.84Å; R142-H145 PolarHBondContact O-N 3.49Å; R142-Y148 VanDerWaalsContact CD-CE2 3.47Å; R142-Y148 PolarHBondContact NH1-OH 3.04Å
143T86.4Confident93.2Very high74 Ų7435.3 Ų35.345%0.45419%0.187SC..THydrogen-bonded Turntrans-61.6123.6-179.9-43.10000110.1E101 H145E101-T143 WeakPolarHBondContact OE1-CB 3.38Å; E101-T143 PolarHBondContact OE1-OG1 3.47Å; T143-H145 PolarHBondContact O-CD2 3.2Å; T143-H145 PolarHBondContact O-N 3.37Å
144G86.1Confident93.2Very high73 Ų7334 Ų3475%0.75318%0.182SC*.THydrogen-bonded Turntrans71.29.4177.900000115.7R142R142-G144 PolarHBondContact O-N 3.23Å
145H87.4Confident93.2Very high64 Ų6434 Ų3430%0.29618%0.183SC..SBendtrans-131.1162.7178.3-60.2-57.6000111.8A6 R142 T143A6-H145 WeakPolarHBondContact CB-CE1 3.29Å; A6-H145 WeakPolarHBondContact CB-NE2 3.38Å; A6-H145 PolarHBondContact N-CE1 2.95Å; R142-H145 HydrophobicContact CB-CB 3.84Å; R142-H145 PolarHBondContact O-N 3.49Å; T143-H145 PolarHBondContact O-CD2 3.2Å; T143-H145 PolarHBondContact O-N 3.37Å
146E88.2Confident93.3Very high148 Ų14833.6 Ų33.669%0.69218%0.181SC*.PPolyproline II helixtrans-63.1145.4170-62.5-171.2145.900110.7
147N92.1Very high93.3Very high67 Ų6733.8 Ų33.836%0.35818%0.182SC..PPolyproline II helixtrans-71.1143.1176.5-61.9-22.4000109.6V139 I140 S141 V149V139-N147 HydrophobicContact CG1-CB 3.84Å; I140-N147 WeakPolarHBondContact O-CA 3.48Å; S141-N147 WeakPolarHBondContact CA-OD1 3.23Å; N147-V149 HydrophobicContact CB-CG2 4.31Å
148Y92.5Very high93.1Very high26 Ų2632.1 Ų32.110%0.10218%0.175CC..EExtended strand (participates in β ladder)trans-84.8135.7163.1-60.8-52.3000109.1I14 L46 V139 I140 R142 P368I14-Y148 HydrophobicContact CD1-CD2 3.16Å; I14-Y148 HydrophobicContact CD1-CE2 3.36Å; I14-Y148 HydrophobicContact CD1-CG 3.78Å; I14-Y148 HydrophobicContact CG1-CD2 4.39Å; I14-Y148 HydrophobicContact CG1-CE2 4.17Å; L46-Y148 HydrophobicContact CD1-CE2 4.26Å; V139-Y148 WeakPolarHBondContact CA-O 3.35Å; I140-Y148 HydrophobicContact CB-CD2 4.49Å; I140-Y148 HydrophobicContact CG2-CD2 4.49Å; I140-Y148 PolarHBondContact N-O 2.87Å; I140-Y148 PolarHBondContact O-N 3.47Å; R142-Y148 VanDerWaalsContact CD-CE2 3.47Å; R142-Y148 PolarHBondContact NH1-OH 3.04Å; Y148-P368 HydrophobicContact CD1-CB 3.62Å; Y148-P368 HydrophobicContact CD1-CG 3.82Å; Y148-P368 HydrophobicContact CE1-CB 3.83Å; Y148-P368 HydrophobicContact CE1-CG 4.47Å; Y148-P368 HydrophobicContact CG-CB 4.12Å; Y148-P368 HydrophobicContact CG-CG 3.86Å
149V93.6Very high92.5Very high21 Ų2138.8 Ų38.813%0.12720%0.2CC..EExtended strand (participates in β ladder)trans-133.4131.2-176.5-172.50000109.8Q137 A138 V139 N147 M364 S366 N367Q137-V149 HydrophobicContact CG-CG1 3.47Å; Q137-V149 VanDerWaalsContact CG-CG1 3.47Å; A138-V149 WeakPolarHBondContact O-CA 3.11Å; V139-V149 HydrophobicContact CG1-CG2 4.36Å; V139-V149 HydrophobicContact CG2-CG1 4.31Å; V139-V149 HydrophobicContact CG2-CG2 4.33Å; N147-V149 HydrophobicContact CB-CG2 4.31Å; V149-M364 HydrophobicContact CB-CE 4.26Å; V149-M364 HydrophobicContact CG1-CE 3.74Å; V149-M364 WeakPolarHBondContact O-CE 3.23Å; V149-S366 PolarHBondContact N-O 2.79Å; V149-S366 CarbonylContact O-C 3.55Å; V149-N367 WeakPolarHBondContact O-CA 3.44Å; V149-N367 VanDerWaalsContact O-CB 3.26Å; V149-N367 WeakPolarHBondContact O-CB 3.36Å; V149-N367 PolarHBondContact O-N 2.87Å
150T93.5Very high91.5Very high2 Ų244.2 Ų44.21%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-129.9151.9167.3-169.40000108.9F17 V19 Q137 A138 M364 N367F17-T150 HydrophobicContact CD1-CG2 3.67Å; F17-T150 HydrophobicContact CD2-CG2 3.77Å; F17-T150 HydrophobicContact CE1-CG2 3.65Å; F17-T150 HydrophobicContact CE2-CG2 3.75Å; F17-T150 HydrophobicContact CG-CG2 3.75Å; F17-T150 HydrophobicContact CZ-CG2 3.69Å; F17-T150 WeakPolarHBondContact O-CB 3.41Å; F17-T150 PolarHBondContact O-OG1 2.76Å; F17-T150 VanDerWaalsContact O-OG1 3.1Å; V19-T150 HydrophobicContact CG2-CG2 4.12Å; Q137-T150 CarbonylContact C-O 3.54Å; Q137-T150 VanDerWaalsContact CA-O 3.3Å; Q137-T150 WeakPolarHBondContact CA-O 3.46Å; A138-T150 HydrophobicContact CB-CG2 3.85Å; A138-T150 PolarHBondContact N-O 2.9Å; A138-T150 PolarHBondContact O-N 3.47Å; T150-M364 VanDerWaalsContact CA-CE 3.5Å; T150-N367 PolarHBondContact OG1-ND2 3.04Å
151E93.2Very high90Very high31 Ų3144.6 Ų44.615%0.14523%0.231CC..EExtended strand (participates in β ladder)trans-138.1140.6-174.4-178.8172.8122.200109.5Y135 C136 Q137 M364 I374Y135-E151 HydrophobicContact CD2-CG 3.56Å; Y135-E151 VanDerWaalsContact CD2-OE2 3.25Å; Y135-E151 WeakPolarHBondContact CD2-OE2 3.33Å; Y135-E151 HydrophobicContact CE2-CG 4.37Å; Y135-E151 WeakPolarHBondContact CE2-OE2 3.29Å; Y135-E151 HydrophobicContact CG-CG 3.98Å; C136-E151 CarbonylContact O-C 3.6Å; C136-E151 WeakPolarHBondContact O-CA 3.49Å; Q137-E151 HydrophobicContact CB-CB 4.41Å; Q137-E151 HydrophobicContact CB-CG 4.38Å; Q137-E151 PolarHBondContact NE2-OE2 2.77Å; Q137-E151 VanDerWaalsContact NE2-OE2 3.12Å; E151-M364 HydrophobicContact CB-CE 3.61Å; E151-M364 HydrophobicContact CB-SD 3.76Å; E151-M364 PolarHBondContact N-SD 2.85Å; E151-I374 HydrophobicContact CB-CD1 3.84Å; E151-I374 HydrophobicContact CG-CD1 4.42Å; E151-I374 WeakPolarHBondContact O-CD1 3.4Å
152R94.8Very high88.2Confident109 Ų10947.2 Ų47.241%0.41125%0.25SC..EExtended strand (participates in β ladder)trans-133.8116.7174.8-160.381.9-177.7-165.8-0.4110D18 V19 F21 Y135 C136D18-R152 IonicContact OD1-NH1 2.8Å; D18-R152 IonicContact OD2-NH1 3.7Å; V19-R152 HydrophobicContact CB-CB 3.76Å; V19-R152 HydrophobicContact CG1-CB 3.99Å; F21-R152 HydrophobicContact CD2-CG 3.94Å; F21-R152 HydrophobicContact CE2-CB 3.75Å; F21-R152 HydrophobicContact CE2-CG 3.28Å; F21-R152 HydrophobicContact CZ-CB 3.92Å; F21-R152 HydrophobicContact CZ-CG 3.99Å; F21-R152 WeakPolarHBondContact CZ-O 3.36Å; Y135-R152 WeakPolarHBondContact CA-O 3.38Å; C136-R152 PolarHBondContact N-O 2.89Å; C136-R152 PolarHBondContact O-N 2.9Å
153P96.6Very high86.5Confident8 Ų848.6 Ų48.65%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-77.9153173.130-30.9000111.3F21 R133 Y134 I374 F376F21-P153 WeakPolarHBondContact CE2-O 3.43Å; R133-P153 HydrophobicContact CG-CB 4.35Å; Y134-P153 CarbonylContact O-C 3.53Å; Y134-P153 VanDerWaalsContact O-CA 3.24Å; Y134-P153 WeakPolarHBondContact O-CA 3.24Å; P153-I374 HydrophobicContact CG-CG2 3.84Å; P153-F376 HydrophobicContact CB-CB 4.21Å; P153-F376 HydrophobicContact CB-CD1 4.17Å; P153-F376 HydrophobicContact CB-CD2 3.73Å; P153-F376 HydrophobicContact CB-CE2 4.12Å; P153-F376 HydrophobicContact CB-CG 3.76Å; P153-F376 HydrophobicContact CB-CZ 4.5Å; P153-F376 HydrophobicContact CG-CB 3.55Å; P153-F376 HydrophobicContact CG-CD1 4.44Å; P153-F376 HydrophobicContact CG-CD2 3.68Å; P153-F376 HydrophobicContact CG-CG 3.63Å
154F97.8Very high84.8Confident0 Ų048.3 Ų48.30%027%0.265CS..EExtended strand (participates in β ladder)trans-136.7156.3175.760.1-91000110.6F21 A26 Y28 V34 F83 L117 Y134 V156F21-F154 HydrophobicContact CD2-CB 4.46Å; F21-F154 HydrophobicContact CE1-CD1 4.06Å; F21-F154 HydrophobicContact CE2-CB 3.87Å; F21-F154 HydrophobicContact CE2-CD1 4.41Å; F21-F154 HydrophobicContact CZ-CB 3.94Å; F21-F154 AromaticContact CZ-CD1 3.66Å; F21-F154 HydrophobicContact CZ-CD1 3.66Å; F21-F154 HydrophobicContact CZ-CG 4.22Å; A26-F154 HydrophobicContact CB-CB 3.93Å; A26-F154 WeakPolarHBondContact O-CB 3.3Å; Y28-F154 HydrophobicContact CD2-CB 4.15Å; Y28-F154 AromaticContact CD2-CD2 3.7Å; Y28-F154 HydrophobicContact CD2-CD2 3.7Å; Y28-F154 HydrophobicContact CD2-CE2 4.44Å; Y28-F154 HydrophobicContact CD2-CG 4.19Å; Y28-F154 HydrophobicContact CE2-CB 4.11Å; Y28-F154 HydrophobicContact CE2-CD2 4.29Å; Y28-F154 HydrophobicContact CE2-CG 4.36Å; Y28-F154 HydrophobicContact CG-CD2 4.49Å; V34-F154 HydrophobicContact CG2-CE2 4.11Å; V34-F154 HydrophobicContact CG2-CZ 4.2Å; F83-F154 HydrophobicContact CZ-CZ 4.5Å; L117-F154 HydrophobicContact CD1-CE2 4.14Å; L117-F154 HydrophobicContact CD2-CE2 3.98Å; L117-F154 HydrophobicContact CD2-CZ 3.93Å; Y134-F154 HydrophobicContact CG-CE2 4.34Å; Y134-F154 PolarHBondContact O-N 2.9Å; F154-V156 HydrophobicContact CD2-CG2 3.88Å; F154-V156 HydrophobicContact CE2-CG2 3.55Å
155T98.3Very high83.3Confident2 Ų245.3 Ų45.31%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-87.5127.1178.9-58.40000109.7A26 L27 Y28 L157 V379A26-T155 PolarHBondContact O-N 2.91Å; L27-T155 CarbonylContact C-O 3.58Å; L27-T155 WeakPolarHBondContact CA-O 3.26Å; L27-T155 HydrophobicContact CD1-CG2 3.69Å; Y28-T155 PolarHBondContact N-O 2.97Å; T155-L157 HydrophobicContact CG2-CD2 4.29Å; T155-L157 HydrophobicContact CG2-CG 4.28Å; T155-V379 WeakPolarHBondContact CG2-O 3.41Å; T155-V379 PolarHBondContact OG1-N 3.26Å
156V98.1Very high81.8Confident0 Ų048.1 Ų48.10%025%0.249CC..EExtended strand (participates in β ladder)trans-106.1136.1162.6178.50000109.3Y28 L117 L121 S123 S124 Y134 F154Y28-V156 CarbonylContact O-C 3.52Å; Y28-V156 VanDerWaalsContact O-CA 3.28Å; Y28-V156 WeakPolarHBondContact O-CA 3.44Å; L117-V156 HydrophobicContact CD1-CG2 4.18Å; L121-V156 HydrophobicContact CB-CG1 3.91Å; L121-V156 HydrophobicContact CD1-CG1 4.15Å; L121-V156 HydrophobicContact CD1-CG2 4.4Å; S123-V156 CarbonylContact C-O 3.56Å; S123-V156 VanDerWaalsContact CA-O 3.31Å; S123-V156 WeakPolarHBondContact CA-O 3.12Å; S124-V156 PolarHBondContact N-O 2.71Å; S124-V156 PolarHBondContact OG-N 3.23Å; S124-V156 PolarHBondContact OG-O 2.83Å; Y134-V156 HydrophobicContact CD1-CG2 4.19Å; Y134-V156 HydrophobicContact CD2-CB 3.62Å; Y134-V156 HydrophobicContact CD2-CG2 3.46Å; Y134-V156 VanDerWaalsContact CD2-CG2 3.46Å; Y134-V156 HydrophobicContact CE2-CB 3.58Å; Y134-V156 HydrophobicContact CE2-CG1 4.31Å; Y134-V156 HydrophobicContact CE2-CG2 3.86Å; Y134-V156 HydrophobicContact CG-CB 4.29Å; Y134-V156 HydrophobicContact CG-CG2 3.63Å; F154-V156 HydrophobicContact CD2-CG2 3.88Å; F154-V156 HydrophobicContact CE2-CG2 3.55Å
157L96.4Very high80.4Confident4 Ų443.9 Ų43.92%0.02125%0.245CC..  trans-116.8129.7167.9-65.5179000109.9L27 Y28 F29 P30 T155 L325 Y352 Y380L27-L157 HydrophobicContact CD1-CB 4.44Å; L27-L157 HydrophobicContact CD1-CD1 3.65Å; L27-L157 HydrophobicContact CD1-CG 3.66Å; L27-L157 HydrophobicContact CD2-CD1 4.44Å; Y28-L157 PolarHBondContact O-N 2.92Å; F29-L157 HydrophobicContact CD1-CB 4.25Å; F29-L157 WeakPolarHBondContact CD1-O 3.25Å; F29-L157 HydrophobicContact CE1-CB 3.89Å; P30-L157 VanDerWaalsContact CD-O 3.23Å; P30-L157 WeakPolarHBondContact CD-O 3.31Å; T155-L157 HydrophobicContact CG2-CD2 4.29Å; T155-L157 HydrophobicContact CG2-CG 4.28Å; L157-L325 HydrophobicContact CB-CD1 4.2Å; L157-L325 HydrophobicContact CD1-CD1 4.07Å; L157-Y352 HydrophobicContact CD1-CD1 4.18Å; L157-Y352 HydrophobicContact CD1-CE1 3.78Å; L157-Y380 HydrophobicContact CD2-CD1 3.83Å; L157-Y380 HydrophobicContact CD2-CE1 4.27Å
158S92.3Very high79Confident2 Ų242.7 Ų42.71%0.01424%0.241CC..  trans-83.7147.1168.9124.60000110.1L121 S123 D160 C161L121-S158 VanDerWaalsContact O-CB 3.22Å; L121-S158 WeakPolarHBondContact O-CB 3.42Å; S123-S158 PolarHBondContact OG-N 2.88Å; S158-D160 VanDerWaalsContact C-N 3.3Å; S158-D160 WeakPolarHBondContact CB-OD1 3.36Å; S158-D160 PolarHBondContact OG-N 3.39Å; S158-D160 PolarHBondContact OG-OD1 2.92Å; S158-C161 PolarHBondContact O-SG 2.98Å; S158-C161 VanDerWaalsContact O-SG 3.34Å
159R84.2Confident77.7Confident141 Ų14144.6 Ų44.653%0.53226%0.256SS..SBendtrans-91.24.5177.1-58.8-176.9-172.91100.8112.6F29 D326F29-R159 VanDerWaalsContact CB-NH2 3.3Å; F29-R159 HydrophobicContact CD1-CG 3.87Å; F29-R159 HydrophobicContact CE1-CG 4.24Å; R159-D326 VanDerWaalsContact C-OD1 3.3Å; R159-D326 VanDerWaalsContact O-OD1 3.07Å
160D74Confident76.6Confident115 Ų11546.7 Ų46.762%0.61527%0.271SS*.  trans-13444.2-17363.3-26.1000110.4S158 S162S158-D160 VanDerWaalsContact C-N 3.3Å; S158-D160 WeakPolarHBondContact CB-OD1 3.36Å; S158-D160 PolarHBondContact OG-N 3.39Å; S158-D160 PolarHBondContact OG-OD1 2.92Å; D160-S162 VanDerWaalsContact C-N 3.33Å
161C62.2Low75.9Confident8 Ų852.6 Ų52.65%0.05430%0.302CS..  trans-70.9-31.8-177.8-710000112S123 S158 A163 A285 D326S123-C161 PolarHBondContact OG-SG 2.88Å; S158-C161 PolarHBondContact O-SG 2.98Å; S158-C161 VanDerWaalsContact O-SG 3.34Å; C161-A163 PolarHBondContact O-N 3.25Å; C161-A285 HydrophobicContact CB-CB 4.04Å; C161-D326 WeakPolarHBondContact CA-OD2 3.31Å; C161-D326 WeakPolarHBondContact CB-OD2 3.33Å; C161-D326 PolarHBondContact N-OD2 2.84Å
162S54.9Low75.5Confident71 Ų7154.5 Ų54.550%0.49731%0.314SS..  trans-76.652.9-177.2650000114.4D160 T164 D326D160-S162 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact O-N 2.89Å; S162-D326 PolarHBondContact N-OD2 2.61Å; S162-D326 PolarHBondContact OG-OD2 3.06Å
163A53.3Low75.1Confident55 Ų5549.8 Ų49.846%0.45530%0.297SS..  trans-68.9115153.300000107C161 L165C161-A163 PolarHBondContact O-N 3.25Å; A163-L165 PolarHBondContact O-N 3.03Å
164T51.3Low74.8Confident68 Ų6853.3 Ų53.342%0.41732%0.315SS..  trans-42.6100.8-176.445.90000113S162 N166 G167 S168S162-T164 PolarHBondContact O-N 2.89Å; T164-N166 PolarHBondContact O-N 2.87Å; T164-G167 PolarHBondContact O-N 2.8Å; T164-S168 WeakPolarHBondContact CB-O 3.28Å; T164-S168 WeakPolarHBondContact CG2-O 3.42Å
165L54Low74.5Confident10 Ų1058.9 Ų58.95%0.05234%0.339CS..G310 helixtrans-58.3126.6172.4162.264000108.6A163 G167 S168 E288 A296 Q320A163-L165 PolarHBondContact O-N 3.03Å; L165-G167 VanDerWaalsContact C-N 3.26Å; L165-G167 PolarHBondContact O-N 3.17Å; L165-S168 PolarHBondContact O-N 3.35Å; L165-E288 HydrophobicContact CB-CG 4.45Å; L165-E288 HydrophobicContact CD1-CG 3.36Å; L165-E288 VanDerWaalsContact CD1-OE1 3.28Å; L165-E288 WeakPolarHBondContact CD1-OE1 3.45Å; L165-E288 HydrophobicContact CG-CG 4.47Å; L165-A296 HydrophobicContact CD2-CB 4.17Å; L165-Q320 HydrophobicContact CD2-CG 4.28Å; L165-Q320 PolarHBondContact O-NE2 2.84Å
166N57.4Low74.4Confident123 Ų12363.4 Ų63.466%0.65837%0.368SS*.G310 helixtrans59.822.3-178-57-48.4000116.2T164 S168 E288T164-N166 PolarHBondContact O-N 2.87Å; N166-S168 PolarHBondContact O-N 2.84Å; N166-E288 PolarHBondContact N-OE2 2.83Å
167G57.6Low74.2Confident59 Ų5964.1 Ų64.161%0.60837%0.374SS*.G310 helixtrans717.4178.400000114.9T164 L165 T169T164-G167 PolarHBondContact O-N 2.8Å; L165-G167 VanDerWaalsContact C-N 3.26Å; L165-G167 PolarHBondContact O-N 3.17Å; G167-T169 PolarHBondContact O-N 3.01Å
168S63.5Low74.3Confident41 Ų4167.8 Ų67.829%0.28740%0.397SS..  trans-67.2126.9173.4-58.10000109.2T164 L165 N166T164-S168 WeakPolarHBondContact CB-O 3.28Å; T164-S168 WeakPolarHBondContact CG2-O 3.42Å; L165-S168 PolarHBondContact O-N 3.35Å; N166-S168 PolarHBondContact O-N 2.84Å
169T65.8Low74.5Confident66 Ų6670.5 Ų70.541%0.40541%0.409SS..  trans-70.7149.8175.469.60000109.9G167 L171 D172 L173G167-T169 PolarHBondContact O-N 3.01Å; T169-L171 PolarHBondContact O-N 3.09Å; T169-D172 PolarHBondContact O-N 3.38Å; T169-D172 VanDerWaalsContact OG1-CG 3.25Å; T169-D172 PolarHBondContact OG1-N 2.86Å; T169-D172 PolarHBondContact OG1-OD2 2.86Å; T169-L173 PolarHBondContact O-N 3.14Å
170S70.4Confident75.2Confident65 Ų6567.8 Ų67.846%0.45541%0.411SS..THydrogen-bonded Turntrans-54.2-26.5175.3-520000112.6L174S170-L174 WeakPolarHBondContact O-CG 3.4Å
171L77.3Confident76.3Confident126 Ų12666.1 Ų66.166%0.6640%0.403SS*.THydrogen-bonded Turntrans-73.1-35.8176.4-65.5178.2000113.3T169 L173 L174T169-L171 PolarHBondContact O-N 3.09Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3.36Å; L171-L174 PolarHBondContact O-N 2.87Å
172D85.1Confident77.9Confident71 Ų7168.2 Ų68.238%0.3842%0.417SS..G310 helixtrans-68-34.6178.3-65.6-44.9000111.4T169 L174 K175T169-D172 PolarHBondContact O-N 3.38Å; T169-D172 VanDerWaalsContact OG1-CG 3.25Å; T169-D172 PolarHBondContact OG1-N 2.86Å; T169-D172 PolarHBondContact OG1-OD2 2.86Å; D172-L174 PolarHBondContact O-N 3.18Å; D172-K175 WeakPolarHBondContact O-CB 3.46Å; D172-K175 PolarHBondContact O-N 2.83Å; D172-K175 IonicContact OD1-NZ 3.68Å; D172-K175 PolarHBondContact OD1-NZ 3.39Å
173L87.4Confident79.6Confident11 Ų1169 Ų696%0.05841%0.413CS..G310 helixtrans-71.2-16.7177.8-60.4170.4000113.5T169 L171 K202 L203 I204 Q320T169-L173 PolarHBondContact O-N 3.14Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3.36Å; L173-K202 WeakPolarHBondContact O-CB 3.47Å; L173-L203 HydrophobicContact CD2-CB 4.04Å; L173-L203 PolarHBondContact O-N 2.99Å; L173-I204 HydrophobicContact CB-CB 3.92Å; L173-I204 HydrophobicContact CB-CG2 3.89Å; L173-I204 HydrophobicContact CD1-CB 4.44Å; L173-I204 HydrophobicContact CD1-CD1 4.41Å; L173-I204 PolarHBondContact O-N 2.93Å; L173-Q320 HydrophobicContact CD1-CB 4.45Å; L173-Q320 HydrophobicContact CD1-CG 4.14Å; L173-Q320 HydrophobicContact CD2-CG 4.14Å
174L90.2Very high81.4Confident82 Ų8272.1 Ų72.143%0.42942%0.417SS..G310 helixtrans-86.6-8175.8-69.3172.1000113S170 L171 D172 K202 I204S170-L174 WeakPolarHBondContact O-CG 3.4Å; L171-L174 PolarHBondContact O-N 2.87Å; D172-L174 PolarHBondContact O-N 3.18Å; L174-K202 HydrophobicContact CD2-CD 4.44Å; L174-I204 HydrophobicContact CD2-CG2 3.78Å; L174-I204 HydrophobicContact CG-CG2 4.33Å
175K91.2Very high82.8Confident116 Ų11669.2 Ų69.250%0.50440%0.398SS..SBendtrans-81.9148.5178.5-64.3170.8-173.3162.40110.8D172 P201 K202D172-K175 WeakPolarHBondContact O-CB 3.46Å; D172-K175 PolarHBondContact O-N 2.83Å; D172-K175 IonicContact OD1-NZ 3.68Å; D172-K175 PolarHBondContact OD1-NZ 3.39Å; K175-P201 CarbonylContact C-O 3.45Å; K175-K202 WeakPolarHBondContact O-CA 3.47Å
176P95.2Very high83.9Confident97 Ų9772 Ų7263%0.6342%0.416SS*.  trans-56.3141.8169.6-2534.3000112L200 P201P176-L200 CarbonylContact C-O 3.57Å; P176-L200 VanDerWaalsContact CA-O 3.27Å; P176-L200 WeakPolarHBondContact CA-O 3.15Å; P176-P201 VanDerWaalsContact CA-O 3.31Å; P176-P201 WeakPolarHBondContact CA-O 3.5Å
177A95.4Very high84.5Confident15 Ų1568.7 Ų68.712%0.12440%0.403CS..EExtended strand (participates in β ladder)trans-129137.5179.600000110.4T199 L200 L203A177-T199 WeakPolarHBondContact O-CA 3.38Å; A177-L200 PolarHBondContact N-O 3.12Å; A177-L200 PolarHBondContact O-N 3.47Å; A177-L203 HydrophobicContact CB-CD1 3.74Å; A177-L203 HydrophobicContact CB-CD2 3.61Å; A177-L203 HydrophobicContact CB-CG 3.6Å
178V97.4Very high85.1Confident82 Ų8271.6 Ų71.650%0.49741%0.412SS..EExtended strand (participates in β ladder)trans-117.1127.1177.5-175.10000108.2E197 V198 T199V178-E197 HydrophobicContact CG1-CG 3.46Å; V178-E197 VanDerWaalsContact CG1-CG 3.46Å; V178-V198 WeakPolarHBondContact CA-O 3.48Å; V178-T199 HydrophobicContact CG2-CG2 4.05Å
179H97.6Very high85.6Confident58 Ų5874.4 Ų74.427%0.26943%0.431SS..EExtended strand (participates in β ladder)trans-127.4141.7174.3-72.566.9000108.7E197 V198 V317H179-E197 CarbonylContact O-C 3.59Å; H179-E197 WeakPolarHBondContact O-CA 3.44Å; H179-V198 PolarHBondContact N-O 2.86Å; H179-V198 PolarHBondContact O-N 2.92Å; H179-V317 HydrophobicContact CB-CG1 4.47Å; H179-V317 HydrophobicContact CB-CG2 3.69Å
180S97.4Very high86.1Confident84 Ų8472.4 Ų72.459%0.58742%0.419SS*.EExtended strand (participates in β ladder)trans-141.4148.1176.158.40000110.7C196S180-C196 VanDerWaalsContact CA-O 3.23Å; S180-C196 WeakPolarHBondContact CA-O 3.28Å
181D97.8Very high86.6Confident81 Ų8172.3 Ų72.343%0.43342%0.419SS..EExtended strand (participates in β ladder)trans-141.7163.4171.5-151.7-19.5000109.4S195 C196 L313 V315D181-S195 VanDerWaalsContact O-CA 3.31Å; D181-S195 WeakPolarHBondContact O-CA 3.37Å; D181-C196 PolarHBondContact N-O 3.47Å; D181-C196 VanDerWaalsContact N-O 3.16Å; D181-C196 PolarHBondContact O-N 2.96Å; D181-L313 HydrophobicContact CB-CD1 4.08Å; D181-V315 HydrophobicContact CB-CG1 4.47Å; D181-V315 HydrophobicContact CB-CG2 4.08Å
182S95.4Very high87.1Confident52 Ų5266.7 Ų66.736%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-146.2141.9-179.369.50000112.7I194S182-I194 CarbonylContact C-O 3.55Å; S182-I194 WeakPolarHBondContact CA-O 3.47Å; S182-I194 VanDerWaalsContact CB-O 3.31Å; S182-I194 WeakPolarHBondContact CB-O 3.47Å
183E92.1Very high87.5Confident86 Ų8667.3 Ų67.340%0.40239%0.394SS..EExtended strand (participates in β ladder)trans-126.3139179.3-175.159.2-148.100109.7V185 I194 L313E183-V185 PolarHBondContact O-N 2.87Å; E183-I194 PolarHBondContact N-O 3.4Å; E183-I194 PolarHBondContact O-N 3.2Å; E183-L313 HydrophobicContact CB-CB 4.14Å; E183-L313 HydrophobicContact CB-CD1 3.92Å
184K89.2Confident87.7Confident122 Ų12266.8 Ų66.853%0.5339%0.391SS..EExtended strand (participates in β ladder)trans-87.4110.6177.4-174.9179.5179.6176.30109.7T186K184-T186 HydrophobicContact CD-CG2 4.49Å; K184-T186 HydrophobicContact CG-CG2 4.29Å
185V80.6Confident88Confident6 Ų664.6 Ų64.64%0.03638%0.383CS..EExtended strand (participates in β ladder)trans-88121.8175.3177.10000111E183 S191 G192 I194 Q311E183-V185 PolarHBondContact O-N 2.87Å; V185-S191 CarbonylContact O-C 3.58Å; V185-S191 VanDerWaalsContact O-CA 3.28Å; V185-S191 WeakPolarHBondContact O-CA 3.5Å; V185-G192 PolarHBondContact N-O 3.37Å; V185-G192 PolarHBondContact O-N 2.87Å; V185-I194 HydrophobicContact CB-CD1 4.01Å; V185-I194 HydrophobicContact CB-CG1 4.39Å; V185-I194 HydrophobicContact CG2-CD1 3.33Å; V185-I194 HydrophobicContact CG2-CG1 3.87Å; V185-Q311 VanDerWaalsContact CA-OE1 3.27Å
186T77.1Confident88.3Confident70 Ų7059.1 Ų59.143%0.42936%0.36SS..EExtended strand (participates in β ladder)trans-114.3127.4179.657.50000111.3K184K184-T186 HydrophobicContact CD-CG2 4.49Å; K184-T186 HydrophobicContact CG-CG2 4.29Å
187S70.4Confident88.5Confident53 Ų5358.4 Ų58.437%0.37135%0.348SS..EExtended strand (participates in β ladder)trans-118.8170.2167.973.60000110.7C189 S190S187-C189 PolarHBondContact O-N 2.92Å; S187-S190 PolarHBondContact N-O 3.47Å; S187-S190 PolarHBondContact O-N 2.85Å; S187-S190 PolarHBondContact OG-O 3.42Å; S187-S190 PolarHBondContact OG-OG 2.82Å
188C71.3Confident88.6Confident119 Ų11957.7 Ų57.780%0.80434%0.342SS*.THydrogen-bonded Turntrans-53.7-22.9-174.157.80000115.1
189C73.2Confident88.7Confident100 Ų10055.8 Ų55.868%0.67633%0.331SS*.THydrogen-bonded Turntrans-133.310.6-176.8-55.60000113.9S187 R222S187-C189 PolarHBondContact O-N 2.92Å; C189-R222 VanDerWaalsContact C-NH2 3.3Å; C189-R222 PolarHBondContact O-NH2 2.7Å
190S76.2Confident88.7Confident24 Ų2453.1 Ų53.117%0.16832%0.318CS..EExtended strand (participates in β ladder)trans-163.7147176.350.70000112.6S187 R222S187-S190 PolarHBondContact N-O 3.47Å; S187-S190 PolarHBondContact O-N 2.85Å; S187-S190 PolarHBondContact OG-O 3.42Å; S187-S190 PolarHBondContact OG-OG 2.82Å; S190-R222 PolarHBondContact OG-NE 2.85Å; S190-R222 PolarHBondContact OG-NH2 3.09Å
191S81.7Confident88.7Confident64 Ų6452.2 Ų52.245%0.44831%0.31SS..EExtended strand (participates in β ladder)trans-110.6149.5159.659.20000110.8V185V185-S191 CarbonylContact O-C 3.58Å; V185-S191 VanDerWaalsContact O-CA 3.28Å; V185-S191 WeakPolarHBondContact O-CA 3.5Å
192G87.3Confident88.6Confident8 Ų850 Ų508%0.08230%0.297CS..EExtended strand (participates in β ladder)trans-146.6146.616900000110.5V185 D220V185-G192 PolarHBondContact N-O 3.37Å; V185-G192 PolarHBondContact O-N 2.87Å; G192-D220 WeakPolarHBondContact CA-O 3.27Å
193L92.6Very high88.6Confident83 Ų8349 Ų4944%0.43529%0.287SS..EExtended strand (participates in β ladder)trans-84.4139.6173.3-168.867.4000108.7D220L193-D220 WeakPolarHBondContact O-CA 3.19Å; L193-D220 VanDerWaalsContact O-CB 3.32Å; L193-D220 WeakPolarHBondContact O-CB 3.23Å; L193-D220 PolarHBondContact O-N 2.89Å
194I92.8Very high88.6Confident0 Ų045.5 Ų45.50%027%0.271CS..EExtended strand (participates in β ladder)trans-120.3129.1172.3-57.6-169.3000106.5S182 E183 V185 V218 N219 F305 L313S182-I194 CarbonylContact C-O 3.55Å; S182-I194 WeakPolarHBondContact CA-O 3.47Å; S182-I194 VanDerWaalsContact CB-O 3.31Å; S182-I194 WeakPolarHBondContact CB-O 3.47Å; E183-I194 PolarHBondContact N-O 3.4Å; E183-I194 PolarHBondContact O-N 3.2Å; V185-I194 HydrophobicContact CB-CD1 4.01Å; V185-I194 HydrophobicContact CB-CG1 4.39Å; V185-I194 HydrophobicContact CG2-CD1 3.33Å; V185-I194 HydrophobicContact CG2-CG1 3.87Å; I194-V218 WeakPolarHBondContact CA-O 3.35Å; I194-N219 WeakPolarHBondContact CD1-OD1 3.38Å; I194-F305 HydrophobicContact CB-CZ 4.26Å; I194-F305 HydrophobicContact CD1-CD1 3.4Å; I194-F305 VanDerWaalsContact CD1-CD1 3.4Å; I194-F305 HydrophobicContact CD1-CD2 3.78Å; I194-F305 HydrophobicContact CD1-CE1 3.4Å; I194-F305 VanDerWaalsContact CD1-CE1 3.4Å; I194-F305 HydrophobicContact CD1-CE2 3.78Å; I194-F305 HydrophobicContact CD1-CG 3.62Å; I194-F305 HydrophobicContact CD1-CZ 3.63Å; I194-F305 HydrophobicContact CG1-CE1 4.42Å; I194-F305 HydrophobicContact CG1-CZ 4.47Å; I194-F305 HydrophobicContact CG2-CE1 3.69Å; I194-F305 HydrophobicContact CG2-CE2 3.69Å; I194-F305 HydrophobicContact CG2-CZ 3.13Å; I194-L313 HydrophobicContact CG2-CD2 4.15Å
195S96.4Very high88.9Confident37 Ų3739.9 Ų39.926%0.25925%0.247SC..EExtended strand (participates in β ladder)trans-129.6150.4174.363.60000111.5D181 V217 V218D181-S195 VanDerWaalsContact O-CA 3.31Å; D181-S195 WeakPolarHBondContact O-CA 3.37Å; S195-V217 WeakPolarHBondContact O-CA 3.32Å; S195-V218 PolarHBondContact N-O 3.31Å; S195-V218 PolarHBondContact O-N 2.87Å
196C97.9Very high89.6Confident1 Ų140.4 Ų40.41%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-132127.7171.7-179.30000108.5S180 D181 V216 V217 L303 L313 V315S180-C196 VanDerWaalsContact CA-O 3.23Å; S180-C196 WeakPolarHBondContact CA-O 3.28Å; D181-C196 PolarHBondContact N-O 3.47Å; D181-C196 VanDerWaalsContact N-O 3.16Å; D181-C196 PolarHBondContact O-N 2.96Å; C196-V216 CarbonylContact C-O 3.59Å; C196-V216 WeakPolarHBondContact CA-O 3.45Å; C196-V217 HydrophobicContact CB-CG2 4.08Å; C196-L303 HydrophobicContact CB-CD1 4.14Å; C196-L303 HydrophobicContact CB-CD2 3.9Å; C196-L313 HydrophobicContact CB-CD2 3.79Å; C196-V315 HydrophobicContact CB-CG2 3.74Å
197E98.4Very high90.5Very high81 Ų8137.2 Ų37.238%0.37923%0.228SC..EExtended strand (participates in β ladder)trans-105.3134168.6-178.2-178.993.700108.8V178 H179 L215 V216V178-E197 HydrophobicContact CG1-CG 3.46Å; V178-E197 VanDerWaalsContact CG1-CG 3.46Å; H179-E197 CarbonylContact O-C 3.59Å; H179-E197 WeakPolarHBondContact O-CA 3.44Å; E197-L215 CarbonylContact O-C 3.54Å; E197-L215 WeakPolarHBondContact O-CA 3.4Å; E197-V216 HydrophobicContact CB-CB 4.29Å; E197-V216 PolarHBondContact N-O 3.47Å; E197-V216 PolarHBondContact O-N 3.3Å
198V98.3Very high91.8Very high1 Ų135.7 Ų35.71%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-122.6121.7-177.8-174.20000107.9V178 H179 A213 L215 L299 L301 V315 V317V178-V198 WeakPolarHBondContact CA-O 3.48Å; H179-V198 PolarHBondContact N-O 2.86Å; H179-V198 PolarHBondContact O-N 2.92Å; V198-A213 HydrophobicContact CG1-CB 4.12Å; V198-L215 HydrophobicContact CB-CD2 4.34Å; V198-L215 HydrophobicContact CG1-CD2 3.94Å; V198-L215 HydrophobicContact CG2-CD2 4.03Å; V198-L299 HydrophobicContact CG1-CD2 4.37Å; V198-L301 HydrophobicContact CB-CD1 4.38Å; V198-L301 HydrophobicContact CG1-CD1 4.09Å; V198-L301 HydrophobicContact CG2-CD1 3.35Å; V198-L301 HydrophobicContact CG2-CG 4.31Å; V198-V315 HydrophobicContact CG2-CB 4.31Å; V198-V315 HydrophobicContact CG2-CG1 3.88Å; V198-V317 HydrophobicContact CB-CG2 4.41Å; V198-V317 HydrophobicContact CG1-CG2 4.41Å
199T98.4Very high93Very high42 Ų4231.8 Ų31.826%0.25819%0.191SC..EExtended strand (participates in β ladder)trans-113.1116.5176.5-57.90000109.4A177 V178 A213 S214A177-T199 WeakPolarHBondContact O-CA 3.38Å; V178-T199 HydrophobicContact CG2-CG2 4.05Å; T199-A213 WeakPolarHBondContact O-CA 3.34Å; T199-S214 PolarHBondContact N-O 2.86Å; T199-S214 PolarHBondContact O-N 2.88Å
200L98.3Very high94.1Very high1 Ų129.2 Ų29.21%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-100.9142.6170.9-66.4173.4000109.7P176 A177 K202 L203 V211 A213 L299 V317P176-L200 CarbonylContact C-O 3.57Å; P176-L200 VanDerWaalsContact CA-O 3.27Å; P176-L200 WeakPolarHBondContact CA-O 3.15Å; A177-L200 PolarHBondContact N-O 3.12Å; A177-L200 PolarHBondContact O-N 3.47Å; L200-K202 WeakPolarHBondContact CB-O 3.31Å; L200-K202 PolarHBondContact O-N 2.82Å; L200-L203 HydrophobicContact CD1-CD2 4.04Å; L200-V211 HydrophobicContact CD2-CG1 4.15Å; L200-A213 HydrophobicContact CD2-CB 3.64Å; L200-L299 HydrophobicContact CD1-CD2 4.13Å; L200-L299 HydrophobicContact CD2-CD2 4.15Å; L200-V317 HydrophobicContact CD1-CB 4.49Å; L200-V317 HydrophobicContact CD1-CG1 3.72Å
201P97.1Very high95.2Very high66 Ų6628.1 Ų28.143%0.42917%0.169SC..SBendtrans-69-21176.228.1-34.9000113.1K175 P176 V212K175-P201 CarbonylContact C-O 3.45Å; P176-P201 VanDerWaalsContact CA-O 3.31Å; P176-P201 WeakPolarHBondContact CA-O 3.5Å; P201-V212 WeakPolarHBondContact CD-O 3.22Å
202K95.3Very high96Very high34 Ų3427.5 Ų27.515%0.14816%0.163CC..  trans-161166.8178.858.3178-178.3149.60110L173 L174 K175 L200 I204 Y205 E209L173-K202 WeakPolarHBondContact O-CB 3.47Å; L174-K202 HydrophobicContact CD2-CD 4.44Å; K175-K202 WeakPolarHBondContact O-CA 3.47Å; L200-K202 WeakPolarHBondContact CB-O 3.31Å; L200-K202 PolarHBondContact O-N 2.82Å; K202-I204 WeakPolarHBondContact CD-O 3.23Å; K202-I204 WeakPolarHBondContact CE-O 3.44Å; K202-I204 PolarHBondContact NZ-O 3.15Å; K202-Y205 HydrophobicContact CG-CE1 4.24Å; K202-Y205 HydrophobicContact CG-CE2 4.41Å; K202-Y205 VanDerWaalsContact O-CE2 3.28Å; K202-Y205 WeakPolarHBondContact O-CE2 3.16Å; K202-Y205 PolarHBondContact O-OH 3.05Å; K202-E209 WeakPolarHBondContact CE-OE1 3.46Å; K202-E209 IonicContact NZ-OE1 3.36Å; K202-E209 PolarHBondContact NZ-OE1 2.95Å; K202-E209 IonicContact NZ-OE2 3.14Å; K202-E209 PolarHBondContact NZ-OE2 2.81Å
203L95.3Very high96.5Very high31 Ų3127.1 Ų27.116%0.16216%0.159CC..SBendtrans-108.2-0.2176.1-66.2179.2000113.5L173 A177 L200 V317 L319 Q320L173-L203 HydrophobicContact CD2-CB 4.04Å; L173-L203 PolarHBondContact O-N 2.99Å; A177-L203 HydrophobicContact CB-CD1 3.74Å; A177-L203 HydrophobicContact CB-CD2 3.61Å; A177-L203 HydrophobicContact CB-CG 3.6Å; L200-L203 HydrophobicContact CD1-CD2 4.04Å; L203-V317 HydrophobicContact CD2-CG1 3.97Å; L203-L319 CarbonylContact O-C 3.6Å; L203-L319 WeakPolarHBondContact O-CA 3.34Å; L203-L319 WeakPolarHBondContact O-CB 3.25Å; L203-Q320 PolarHBondContact O-N 2.7Å
204I93.7Very high96.8Very high13 Ų1324.7 Ų24.77%0.06715%0.149CC..EExtended strand (participates in β ladder)trans-113126.6173-171.2165.6000112.4L173 L174 K202 Y206 Q320L173-I204 HydrophobicContact CB-CB 3.92Å; L173-I204 HydrophobicContact CB-CG2 3.89Å; L173-I204 HydrophobicContact CD1-CB 4.44Å; L173-I204 HydrophobicContact CD1-CD1 4.41Å; L173-I204 PolarHBondContact O-N 2.93Å; L174-I204 HydrophobicContact CD2-CG2 3.78Å; L174-I204 HydrophobicContact CG-CG2 4.33Å; K202-I204 WeakPolarHBondContact CD-O 3.23Å; K202-I204 WeakPolarHBondContact CE-O 3.44Å; K202-I204 PolarHBondContact NZ-O 3.15Å; I204-Y206 WeakPolarHBondContact CD1-OH 3.49Å; I204-Y206 HydrophobicContact CG1-CE2 4.19Å; I204-Q320 WeakPolarHBondContact CA-O 3.49Å; I204-Q320 HydrophobicContact CG1-CB 4.42Å
205Y95Very high97Very high3 Ų324.7 Ų24.71%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-130159.9179.6-65.3-88.1000111.3K202 E209 V211 L319 Q320 I321 G322K202-Y205 HydrophobicContact CG-CE1 4.24Å; K202-Y205 HydrophobicContact CG-CE2 4.41Å; K202-Y205 VanDerWaalsContact O-CE2 3.28Å; K202-Y205 WeakPolarHBondContact O-CE2 3.16Å; K202-Y205 PolarHBondContact O-OH 3.05Å; Y205-E209 WeakPolarHBondContact CA-OE2 3.42Å; Y205-E209 HydrophobicContact CD1-CG 4.3Å; Y205-V211 HydrophobicContact CD1-CG2 3.75Å; Y205-V211 HydrophobicContact CD2-CG2 4.42Å; Y205-V211 HydrophobicContact CE1-CB 4.3Å; Y205-V211 HydrophobicContact CE1-CG1 4.17Å; Y205-V211 HydrophobicContact CE1-CG2 3.98Å; Y205-V211 HydrophobicContact CE2-CG1 4.39Å; Y205-V211 HydrophobicContact CG-CG2 3.98Å; Y205-L319 HydrophobicContact CD2-CD2 4.45Å; Y205-Q320 PolarHBondContact N-O 3.44Å; Y205-I321 CarbonylContact O-C 3.59Å; Y205-I321 VanDerWaalsContact O-CA 3.29Å; Y205-I321 WeakPolarHBondContact O-CA 3.32Å; Y205-G322 PolarHBondContact O-N 3.23Å
206Y94.9Very high97.1Very high18 Ų1824.5 Ų24.57%0.07115%0.146CC..  trans-123.7147.7-177.2-59.5-90000110.8I204 G208 E209 M327I204-Y206 WeakPolarHBondContact CD1-OH 3.49Å; I204-Y206 HydrophobicContact CG1-CE2 4.19Å; Y206-G208 PolarHBondContact O-N 3.08Å; Y206-E209 WeakPolarHBondContact CD2-OE2 3.48Å; Y206-E209 PolarHBondContact N-OE2 2.93Å; Y206-E209 VanDerWaalsContact N-OE2 3.13Å; Y206-E209 WeakPolarHBondContact O-CB 3.24Å; Y206-E209 PolarHBondContact O-N 2.82Å; Y206-M327 HydrophobicContact CD1-CG 3.95Å; Y206-M327 HydrophobicContact CD1-SD 3.75Å; Y206-M327 HydrophobicContact CD2-CE 4.43Å; Y206-M327 HydrophobicContact CD2-SD 3.57Å; Y206-M327 VanDerWaalsContact CD2-SD 3.57Å; Y206-M327 HydrophobicContact CE1-CG 3.76Å; Y206-M327 HydrophobicContact CE1-SD 3.35Å; Y206-M327 WeakPolarHBondContact CE1-SD 3.07Å; Y206-M327 HydrophobicContact CE2-CE 4.28Å; Y206-M327 HydrophobicContact CE2-SD 3.17Å; Y206-M327 WeakPolarHBondContact CE2-SD 3.31Å; Y206-M327 HydrophobicContact CG-CG 4.42Å; Y206-M327 HydrophobicContact CG-SD 3.85Å; Y206-M327 PolarHBondContact OH-SD 3.05Å
207P97Very high97.1Very high2 Ų224.4 Ų24.41%0.01315%0.146CC..THydrogen-bonded Turntrans-50.7130.3172.1-28.337000111.8V280 P281 I321 G322 V382 L383P207-V280 HydrophobicContact CG-CG1 4.4Å; P207-P281 WeakPolarHBondContact CB-O 3.25Å; P207-I321 HydrophobicContact CG-CG2 4.18Å; P207-G322 WeakPolarHBondContact CD-O 3.45Å; P207-V382 HydrophobicContact CB-CB 4.34Å; P207-V382 HydrophobicContact CB-CG1 4.34Å; P207-V382 HydrophobicContact CB-CG2 3.95Å; P207-L383 WeakPolarHBondContact O-CB 3.24Å; P207-L383 WeakPolarHBondContact O-CG 3.49Å; P207-L383 PolarHBondContact O-N 2.76Å
208G97.1Very high97Very high21 Ų2122.3 Ų22.322%0.21614%0.138CC..THydrogen-bonded Turntrans92.3-12-172.900000114.2Y206 T279 V280Y206-G208 PolarHBondContact O-N 3.08Å; G208-T279 WeakPolarHBondContact O-CG2 3.35Å; G208-V280 PolarHBondContact N-O 3.28Å
209E95.8Very high96.8Very high38 Ų3822.2 Ų22.218%0.17814%0.138CC..PPolyproline II helixtrans-83.1139.9178.1-168.3173.4-166.800112.4K202 Y205 Y206 T279 V280 L383K202-E209 WeakPolarHBondContact CE-OE1 3.46Å; K202-E209 IonicContact NZ-OE1 3.36Å; K202-E209 PolarHBondContact NZ-OE1 2.95Å; K202-E209 IonicContact NZ-OE2 3.14Å; K202-E209 PolarHBondContact NZ-OE2 2.81Å; Y205-E209 WeakPolarHBondContact CA-OE2 3.42Å; Y205-E209 HydrophobicContact CD1-CG 4.3Å; Y206-E209 WeakPolarHBondContact CD2-OE2 3.48Å; Y206-E209 PolarHBondContact N-OE2 2.93Å; Y206-E209 VanDerWaalsContact N-OE2 3.13Å; Y206-E209 WeakPolarHBondContact O-CB 3.24Å; Y206-E209 PolarHBondContact O-N 2.82Å; E209-T279 WeakPolarHBondContact O-CA 3.43Å; E209-V280 PolarHBondContact O-N 2.88Å; E209-L383 HydrophobicContact CB-CD1 4.44Å
210A97.5Very high96.6Very high46 Ų4623.7 Ų23.738%0.3814%0.144SC..EExtended strand (participates in β ladder)trans-78.1129.1171.900000111.2F276A210-F276 HydrophobicContact CB-CD2 4.13Å; A210-F276 HydrophobicContact CB-CE2 3.87Å
211V98.1Very high96.2Very high1 Ų123.8 Ų23.81%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-92.1116.4170.7-175.80000108.5L200 Y205 L277 F278 V280L200-V211 HydrophobicContact CD2-CG1 4.15Å; Y205-V211 HydrophobicContact CD1-CG2 3.75Å; Y205-V211 HydrophobicContact CD2-CG2 4.42Å; Y205-V211 HydrophobicContact CE1-CB 4.3Å; Y205-V211 HydrophobicContact CE1-CG1 4.17Å; Y205-V211 HydrophobicContact CE1-CG2 3.98Å; Y205-V211 HydrophobicContact CE2-CG1 4.39Å; Y205-V211 HydrophobicContact CG-CG2 3.98Å; V211-L277 HydrophobicContact CG1-CD1 4.23Å; V211-L277 PolarHBondContact O-N 2.93Å; V211-F278 HydrophobicContact CB-CD2 4.1Å; V211-F278 HydrophobicContact CB-CE2 3.8Å; V211-F278 HydrophobicContact CB-CZ 4.2Å; V211-F278 HydrophobicContact CG1-CE2 4.37Å; V211-F278 HydrophobicContact CG1-CZ 4.3Å; V211-F278 HydrophobicContact CG2-CD2 3.89Å; V211-F278 HydrophobicContact CG2-CE2 3.41Å; V211-F278 VanDerWaalsContact CG2-CE2 3.41Å; V211-F278 HydrophobicContact CG2-CZ 4.14Å; V211-F278 PolarHBondContact N-O 2.8Å; V211-V280 HydrophobicContact CG2-CG2 3.77Å
212V98.1Very high95.9Very high50 Ų5027.6 Ų27.630%0.30315%0.15SC..EExtended strand (participates in β ladder)trans-117.5140.3175.2-62.40000109.8P201 E275P201-V212 WeakPolarHBondContact CD-O 3.22Å; V212-E275 CarbonylContact C-O 3.57Å; V212-E275 VanDerWaalsContact CA-O 3.25Å; V212-E275 WeakPolarHBondContact CA-O 3.19Å
213A98.3Very high95.6Very high1 Ų126.7 Ų26.71%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-137.7151.4-179.100000111.4V198 T199 L200 L215 N274 E275 L277V198-A213 HydrophobicContact CG1-CB 4.12Å; T199-A213 WeakPolarHBondContact O-CA 3.34Å; L200-A213 HydrophobicContact CD2-CB 3.64Å; A213-L215 HydrophobicContact CB-CD2 4.17Å; A213-N274 CarbonylContact O-C 3.52Å; A213-N274 PolarHBondContact O-N 3.37Å; A213-E275 PolarHBondContact N-O 2.94Å; A213-E275 PolarHBondContact O-N 2.7Å; A213-L277 HydrophobicContact CB-CD1 3.76Å; A213-L277 HydrophobicContact CB-CD2 4.5Å; A213-L277 HydrophobicContact CB-CG 4.2Å
214S98.5Very high95.4Very high32 Ų3227 Ų2722%0.22416%0.156CC..EExtended strand (participates in β ladder)trans-98.1129.8166.7-62.80000109.7T199 W272 N274T199-S214 PolarHBondContact N-O 2.86Å; T199-S214 PolarHBondContact O-N 2.88Å; S214-W272 WeakPolarHBondContact CA-O 3.41Å; S214-N274 PolarHBondContact OG-N 2.89Å
215L98.2Very high95.4Very high0 Ų026.5 Ų26.50%015%0.153CC..EExtended strand (participates in β ladder)trans-114.3131.4-176.2-49.8-177.7000110.3E197 V198 A213 L260 S271 W272 L301E197-L215 CarbonylContact O-C 3.54Å; E197-L215 WeakPolarHBondContact O-CA 3.4Å; V198-L215 HydrophobicContact CB-CD2 4.34Å; V198-L215 HydrophobicContact CG1-CD2 3.94Å; V198-L215 HydrophobicContact CG2-CD2 4.03Å; A213-L215 HydrophobicContact CB-CD2 4.17Å; L215-L260 HydrophobicContact CD1-CD1 3.92Å; L215-S271 CarbonylContact O-C 3.5Å; L215-S271 VanDerWaalsContact O-CA 3.3Å; L215-S271 WeakPolarHBondContact O-CA 3.23Å; L215-W272 HydrophobicContact CB-CB 4.38Å; L215-W272 HydrophobicContact CB-CE3 4.22Å; L215-W272 PolarHBondContact N-O 3.37Å; L215-W272 PolarHBondContact O-N 3.21Å; L215-L301 HydrophobicContact CD1-CD1 4.27Å; L215-L301 HydrophobicContact CD2-CD1 3.38Å; L215-L301 HydrophobicContact CG-CD1 4.47Å
216V98.2Very high95.3Very high32 Ų3229 Ų2919%0.19417%0.168CC..EExtended strand (participates in β ladder)trans-122.5114.3170.3-177.20000108.6C196 E197C196-V216 CarbonylContact C-O 3.59Å; C196-V216 WeakPolarHBondContact CA-O 3.45Å; E197-V216 HydrophobicContact CB-CB 4.29Å; E197-V216 PolarHBondContact N-O 3.47Å; E197-V216 PolarHBondContact O-N 3.3Å
217V97.6Very high95.2Very high0 Ų032.6 Ų32.60%018%0.182CC..EExtended strand (participates in β ladder)trans-112.2129.8179.8-179.80000109.9S195 C196 L225 L264 K269 K270 W272 L303S195-V217 WeakPolarHBondContact O-CA 3.32Å; C196-V217 HydrophobicContact CB-CG2 4.08Å; V217-L225 HydrophobicContact CG1-CD2 4.49Å; V217-L264 HydrophobicContact CB-CD2 4.04Å; V217-L264 HydrophobicContact CG1-CD2 3.69Å; V217-K269 VanDerWaalsContact O-CA 3.31Å; V217-K269 WeakPolarHBondContact O-CA 3.47Å; V217-K270 PolarHBondContact N-O 2.9Å; V217-K270 PolarHBondContact O-N 3.28Å; V217-W272 HydrophobicContact CB-CZ3 3.83Å; V217-W272 HydrophobicContact CG2-CE3 4.37Å; V217-W272 HydrophobicContact CG2-CZ3 3.62Å; V217-L303 HydrophobicContact CG1-CD2 4.01Å; V217-L303 HydrophobicContact CG2-CD2 3.66Å
218V96.9Very high95.2Very high36 Ų3632.5 Ų32.522%0.21818%0.181CC..EExtended strand (participates in β ladder)trans-114.3117.9171.7-175.30000107.7I194 S195 K269I194-V218 WeakPolarHBondContact CA-O 3.35Å; S195-V218 PolarHBondContact N-O 3.31Å; S195-V218 PolarHBondContact O-N 2.87Å; V218-K269 HydrophobicContact CG2-CB 4.44Å; V218-K269 HydrophobicContact CG2-CD 4.04Å; V218-K269 HydrophobicContact CG2-CG 4.02Å
219N94.6Very high95.3Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-114.490.6179.1-179.19.5000109.7I194 S221 S223 L264 S265 R267 S268I194-N219 WeakPolarHBondContact CD1-OD1 3.38Å; N219-S221 PolarHBondContact O-N 2.9Å; N219-S221 WeakPolarHBondContact OD1-CA 3.32Å; N219-S221 VanDerWaalsContact OD1-CB 3.31Å; N219-S221 WeakPolarHBondContact OD1-CB 3.44Å; N219-S221 PolarHBondContact OD1-N 2.93Å; N219-S221 PolarHBondContact OD1-OG 2.53Å; N219-S223 PolarHBondContact ND2-O 2.61Å; N219-L264 HydrophobicContact CB-CD2 3.92Å; N219-L264 HydrophobicContact CB-CG 4.48Å; N219-S265 PolarHBondContact ND2-O 2.73Å; N219-R267 CarbonylContact O-C 3.52Å; N219-R267 WeakPolarHBondContact O-CA 3.2Å; N219-R267 PolarHBondContact O-N 2.82Å; N219-S268 PolarHBondContact N-O 3.2Å; N219-S268 PolarHBondContact O-N 2.68Å; N219-S268 VanDerWaalsContact O-N 3.08Å
220D93.2Very high95.4Very high73 Ų7329.8 Ų29.839%0.3916%0.163SC..  trans-83.310.4173.1-65-35.5000112.1G192 L193 R267G192-D220 WeakPolarHBondContact CA-O 3.27Å; L193-D220 WeakPolarHBondContact O-CA 3.19Å; L193-D220 VanDerWaalsContact O-CB 3.32Å; L193-D220 WeakPolarHBondContact O-CB 3.23Å; L193-D220 PolarHBondContact O-N 2.89Å; D220-R267 WeakPolarHBondContact O-CD 3Å; D220-R267 PolarHBondContact O-NE 2.87Å; D220-R267 PolarHBondContact O-NH1 2.77Å; D220-R267 PolarHBondContact O-NH2 3.34Å
221S90.4Very high95.5Very high2 Ų229.4 Ų29.41%0.01415%0.152CC..SBendtrans-88.7173.6171.491.50000111.7N219 S223 G266 R267N219-S221 PolarHBondContact O-N 2.9Å; N219-S221 WeakPolarHBondContact OD1-CA 3.32Å; N219-S221 VanDerWaalsContact OD1-CB 3.31Å; N219-S221 WeakPolarHBondContact OD1-CB 3.44Å; N219-S221 PolarHBondContact OD1-N 2.93Å; N219-S221 PolarHBondContact OD1-OG 2.53Å; S221-S223 PolarHBondContact OG-N 3.19Å; S221-S223 PolarHBondContact OG-O 3.08Å; S221-G266 CarbonylContact O-C 3.57Å; S221-G266 WeakPolarHBondContact O-CA 3.38Å; S221-R267 PolarHBondContact O-N 2.98Å
222R89.8Confident95.5Very high146 Ų14629.4 Ų29.455%0.55115%0.152SC*.SBendtrans-89.2-11.7167.8-70.2-169.7-73.2-167-2.8112.8C189 S190C189-R222 VanDerWaalsContact C-NH2 3.3Å; C189-R222 PolarHBondContact O-NH2 2.7Å; S190-R222 PolarHBondContact OG-NE 2.85Å; S190-R222 PolarHBondContact OG-NH2 3.09Å
223S90.2Very high95.5Very high16 Ų1628 Ų2811%0.11214%0.142CC..SBendtrans-80.8124-179.1-73.40000109.6N219 S221 A306N219-S223 PolarHBondContact ND2-O 2.61Å; S221-S223 PolarHBondContact OG-N 3.19Å; S221-S223 PolarHBondContact OG-O 3.08Å; S223-A306 VanDerWaalsContact CB-O 3.25Å; S223-A306 WeakPolarHBondContact CB-O 3.48Å; S223-A306 PolarHBondContact OG-O 3.04Å
224A91.5Very high95.5Very high38 Ų3828 Ų2831%0.31414%0.142SC..PPolyproline II helixtrans-68.4142.2177.700000110.9T226 L264 F305 A306A224-T226 PolarHBondContact O-N 3.23Å; A224-L264 CarbonylContact C-O 3.54Å; A224-L264 WeakPolarHBondContact CA-O 3.34Å; A224-F305 CarbonylContact O-C 3.43Å; A224-F305 WeakPolarHBondContact O-CA 3.46Å; A224-A306 PolarHBondContact O-N 3.18Å
225L93.1Very high95.5Very high2 Ų228 Ų281%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-68.5118.5165.8178.368.2000108.6V217 R227 I228 L264 W272 L303 V304 F305V217-L225 HydrophobicContact CG1-CD2 4.49Å; L225-R227 WeakPolarHBondContact CD1-O 3.49Å; L225-I228 HydrophobicContact CD1-CG1 4.22Å; L225-I228 HydrophobicContact CD2-CD1 3.86Å; L225-I228 HydrophobicContact CD2-CG1 3.83Å; L225-I228 HydrophobicContact CG-CG1 4.31Å; L225-L264 HydrophobicContact CB-CB 3.74Å; L225-L264 HydrophobicContact CD2-CB 3.88Å; L225-L264 HydrophobicContact CG-CB 4.47Å; L225-L264 PolarHBondContact N-O 2.79Å; L225-L264 PolarHBondContact O-N 3.45Å; L225-W272 HydrophobicContact CD2-CH2 4.06Å; L225-L303 HydrophobicContact CD1-CB 3.72Å; L225-L303 HydrophobicContact CD1-CD2 4.07Å; L225-L303 HydrophobicContact CD1-CG 4.14Å; L225-L303 HydrophobicContact CD2-CD2 4.46Å; L225-V304 WeakPolarHBondContact CD1-O 3.45Å; L225-F305 HydrophobicContact CB-CD1 3.95Å; L225-F305 HydrophobicContact CB-CE1 3.6Å; L225-F305 HydrophobicContact CB-CZ 4.4Å; L225-F305 HydrophobicContact CD1-CD1 4.13Å; L225-F305 HydrophobicContact CD1-CE1 3.52Å; L225-F305 HydrophobicContact CD1-CE2 4.07Å; L225-F305 HydrophobicContact CD1-CZ 3.45Å; L225-F305 VanDerWaalsContact CD1-CZ 3.45Å; L225-F305 HydrophobicContact CG-CE1 4.13Å; L225-F305 HydrophobicContact CG-CZ 4.46Å
226T92.4Very high95.4Very high54 Ų5428.2 Ų28.233%0.33114%0.141SC..EExtended strand (participates in β ladder)trans-101.5-23.9-176.350.40000113A224 R263 V304 A306A224-T226 PolarHBondContact O-N 3.23Å; T226-R263 VanDerWaalsContact O-CD 3.22Å; T226-R263 WeakPolarHBondContact O-CD 3.4Å; T226-R263 PolarHBondContact O-NE 2.83Å; T226-R263 PolarHBondContact O-NH1 2.83Å; T226-R263 VanDerWaalsContact O-NH1 3.1Å; T226-V304 PolarHBondContact N-O 2.88Å; T226-V304 PolarHBondContact OG1-O 2.91Å; T226-A306 HydrophobicContact CG2-CB 3.74Å
227R93.7Very high95.2Very high94 Ų9427.8 Ų27.836%0.35514%0.138SC..EExtended strand (participates in β ladder)trans-158.5142.8-175.5-179.9-178.8-66.1-118.6-19.4110.3L225 T229 E259 L303 V304L225-R227 WeakPolarHBondContact CD1-O 3.49Å; R227-T229 WeakPolarHBondContact CD-OG1 3.24Å; R227-E259 HydrophobicContact CG-CG 4.05Å; R227-E259 IonicContact CZ-OE1 3.47Å; R227-E259 IonicContact CZ-OE2 3.36Å; R227-E259 IonicContact NE-OE1 2.7Å; R227-E259 PolarHBondContact NE-OE1 2.81Å; R227-E259 IonicContact NE-OE2 2.9Å; R227-E259 VanDerWaalsContact NH1-CD 3.28Å; R227-E259 IonicContact NH1-OE1 2.67Å; R227-E259 IonicContact NH1-OE2 3.47Å; R227-E259 PolarHBondContact NH1-OE2 3.34Å; R227-E259 IonicContact NH2-OE1 2.95Å; R227-E259 PolarHBondContact NH2-OE1 2.93Å; R227-E259 IonicContact NH2-OE2 3.08Å; R227-E259 PolarHBondContact NH2-OE2 3.31Å; R227-L303 WeakPolarHBondContact O-CA 3.28Å; R227-V304 HydrophobicContact CB-CB 4.23Å; R227-V304 PolarHBondContact N-O 2.97Å; R227-V304 PolarHBondContact O-N 3.02Å
228I97Very high95Very high1 Ų127.8 Ų27.81%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-121128.1162.3-49.2-179000106.8L225 L260 K262 W272 E302 L303L225-I228 HydrophobicContact CD1-CG1 4.22Å; L225-I228 HydrophobicContact CD2-CD1 3.86Å; L225-I228 HydrophobicContact CD2-CG1 3.83Å; L225-I228 HydrophobicContact CG-CG1 4.31Å; I228-L260 HydrophobicContact CB-CB 4.24Å; I228-L260 HydrophobicContact CB-CD1 4.24Å; I228-L260 HydrophobicContact CB-CG 4.48Å; I228-L260 HydrophobicContact CG2-CD1 3.89Å; I228-L260 HydrophobicContact CG2-CG 4.48Å; I228-L260 PolarHBondContact O-N 3.21Å; I228-K262 HydrophobicContact CD1-CB 3.83Å; I228-K262 HydrophobicContact CD1-CG 4.45Å; I228-K262 HydrophobicContact CG1-CB 4.3Å; I228-W272 HydrophobicContact CD1-CH2 4.33Å; I228-W272 HydrophobicContact CD1-CZ3 4.11Å; I228-E302 CarbonylContact C-O 3.57Å; I228-E302 WeakPolarHBondContact CA-O 3.18Å; I228-L303 HydrophobicContact CG1-CG 4.17Å; I228-L303 HydrophobicContact CG2-CD1 4.35Å; I228-L303 HydrophobicContact CG2-CG 4.23Å
229T98.1Very high94.8Very high1 Ų126.5 Ų26.51%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-118.4124.5176.1-54.70000109.2R227 R231 E257 T258 L301 E302R227-T229 WeakPolarHBondContact CD-OG1 3.24Å; T229-R231 HydrophobicContact CG2-CG 4.15Å; T229-E257 HydrophobicContact CG2-CG 3.37Å; T229-T258 WeakPolarHBondContact CA-O 3.43Å; T229-L301 WeakPolarHBondContact O-CA 3.06Å; T229-E302 PolarHBondContact N-O 2.87Å; T229-E302 PolarHBondContact O-N 2.84Å
230A98.6Very high94.6Very high0 Ų027.6 Ų27.60%014%0.137CC..EExtended strand (participates in β ladder)trans-98.1132.4173.300000110.2E257 T258 L277 F278 L299 Q300 L301A230-E257 WeakPolarHBondContact O-CA 3.44Å; A230-T258 PolarHBondContact N-O 3.49Å; A230-T258 PolarHBondContact O-N 2.91Å; A230-L277 HydrophobicContact CB-CB 4.05Å; A230-L277 HydrophobicContact CB-CD1 4.43Å; A230-L277 HydrophobicContact CB-CD2 4.07Å; A230-L277 HydrophobicContact CB-CG 4.41Å; A230-F278 HydrophobicContact CB-CD1 4.48Å; A230-L299 HydrophobicContact CB-CD1 4.49Å; A230-Q300 CarbonylContact C-O 3.46Å; A230-Q300 WeakPolarHBondContact CA-O 3.41Å; A230-L301 HydrophobicContact CB-CD2 3.51Å
231R98.6Very high94.2Very high38 Ų3830.2 Ų30.214%0.14315%0.145CC..EExtended strand (participates in β ladder)trans-132.3137.7178.2-58.2-180-177.9103.92.4111T229 M233 V256 E257 L299 Q300 E302T229-R231 HydrophobicContact CG2-CG 4.15Å; R231-M233 HydrophobicContact CB-SD 3.98Å; R231-V256 VanDerWaalsContact CA-O 3.3Å; R231-V256 WeakPolarHBondContact CA-O 3.49Å; R231-E257 HydrophobicContact CG-CB 4.22Å; R231-E257 HydrophobicContact CG-CG 4.02Å; R231-E257 IonicContact CZ-OE2 3.91Å; R231-E257 IonicContact NE-OE2 2.76Å; R231-E257 PolarHBondContact NE-OE2 3.14Å; R231-E257 IonicContact NH2-OE2 2.77Å; R231-E257 PolarHBondContact NH2-OE2 3.36Å; R231-L299 CarbonylContact O-C 3.5Å; R231-L299 WeakPolarHBondContact O-CA 3.41Å; R231-Q300 HydrophobicContact CB-CB 4.34Å; R231-Q300 PolarHBondContact N-O 3.45Å; R231-Q300 PolarHBondContact O-N 2.92Å; R231-E302 IonicContact CZ-OE1 2.99Å; R231-E302 IonicContact CZ-OE2 3.87Å; R231-E302 IonicContact NH1-OE1 2.67Å; R231-E302 PolarHBondContact NH1-OE1 3.38Å; R231-E302 IonicContact NH1-OE2 3.53Å; R231-E302 PolarHBondContact NH1-OE2 3.33Å; R231-E302 IonicContact NH2-OE1 2.98Å; R231-E302 PolarHBondContact NH2-OE1 2.77Å; R231-E302 VanDerWaalsContact NH2-OE1 3.14Å; R231-E302 IonicContact NH2-OE2 3.59Å
232L98.8Very high94Very high1 Ų137.7 Ų37.71%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-91.4126.6160.1179.558.2000107.8V255 V256 F278 V280 L283 Y297 L319 I321L232-V255 HydrophobicContact CB-CB 4.06Å; L232-V255 HydrophobicContact CB-CG1 4.42Å; L232-V255 HydrophobicContact CD2-CB 4.23Å; L232-V255 HydrophobicContact CD2-CG1 3.9Å; L232-V255 HydrophobicContact CD2-CG2 4.49Å; L232-V255 HydrophobicContact CG-CB 4.01Å; L232-V255 HydrophobicContact CG-CG1 4.25Å; L232-V255 HydrophobicContact CG-CG2 4.16Å; L232-V255 VanDerWaalsContact O-CB 3.29Å; L232-V255 WeakPolarHBondContact O-CB 3.41Å; L232-V255 PolarHBondContact O-N 2.85Å; L232-V256 HydrophobicContact CB-CG1 3.81Å; L232-V256 PolarHBondContact N-O 2.8Å; L232-V256 VanDerWaalsContact N-O 3.13Å; L232-F278 HydrophobicContact CB-CE1 4.18Å; L232-F278 HydrophobicContact CB-CE2 3.84Å; L232-F278 HydrophobicContact CB-CZ 3.65Å; L232-F278 HydrophobicContact CD1-CZ 4.47Å; L232-F278 HydrophobicContact CD2-CE2 4.08Å; L232-F278 HydrophobicContact CG-CE2 4.4Å; L232-F278 HydrophobicContact CG-CZ 4.46Å; L232-V280 HydrophobicContact CD2-CG1 4.32Å; L232-L283 HydrophobicContact CD2-CD1 4.22Å; L232-Y297 HydrophobicContact CD1-CD1 4.19Å; L232-Y297 HydrophobicContact CG-CD1 4.42Å; L232-L319 HydrophobicContact CD1-CD1 4.01Å; L232-I321 HydrophobicContact CD2-CD1 4.34Å
233M98.5Very high93.8Very high22 Ų2236.4 Ų36.411%0.10818%0.184CC..EExtended strand (participates in β ladder)trans-111.2137.7176.8-54.7-60.4-67.700109.6R231 S252 R253 Y297 E298 Q300R231-M233 HydrophobicContact CB-SD 3.98Å; M233-S252 WeakPolarHBondContact CE-OG 3.45Å; M233-R253 WeakPolarHBondContact CA-O 3.42Å; M233-Y297 VanDerWaalsContact O-CA 3.24Å; M233-Y297 WeakPolarHBondContact O-CA 3.39Å; M233-Y297 WeakPolarHBondContact O-CD1 3.43Å; M233-E298 HydrophobicContact CB-CG 3.71Å; M233-E298 HydrophobicContact CG-CG 4.23Å; M233-E298 PolarHBondContact N-O 3.28Å; M233-E298 PolarHBondContact O-N 3.26Å; M233-E298 VanDerWaalsContact O-N 3.09Å; M233-Q300 HydrophobicContact CG-CB 4.46Å; M233-Q300 VanDerWaalsContact CG-CD 3.47Å; M233-Q300 HydrophobicContact CG-CG 3.7Å
234Q98.3Very high93.4Very high1 Ų140.4 Ų40.41%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-102124.8166.8-171.6-17090.300109.2Y125 S252 R253 V255 I295 Y297 F357Y125-Q234 PolarHBondContact OH-OE1 2.84Å; Q234-S252 CarbonylContact O-C 3.57Å; Q234-S252 WeakPolarHBondContact O-CA 3.2Å; Q234-R253 HydrophobicContact CB-CG 3.96Å; Q234-R253 PolarHBondContact N-O 2.83Å; Q234-R253 PolarHBondContact O-N 3.18Å; Q234-V255 HydrophobicContact CB-CG2 3.94Å; Q234-I295 HydrophobicContact CG-CG2 3.99Å; Q234-Y297 HydrophobicContact CB-CD1 3.84Å; Q234-Y297 HydrophobicContact CB-CE1 3.52Å; Q234-Y297 HydrophobicContact CG-CD1 4Å; Q234-Y297 HydrophobicContact CG-CE1 3.45Å; Q234-Y297 VanDerWaalsContact CG-CE1 3.45Å; Q234-Y297 HydrophobicContact CG-CE2 4.48Å; Q234-Y297 PolarHBondContact NE2-OH 2.71Å; Q234-F357 HydrophobicContact CB-CZ 4.47Å
235N97.3Very high93Very high32 Ų3245.1 Ų45.117%0.17123%0.23CC..EExtended strand (participates in β ladder)trans-105.2119.7178.1-63.5-30.8000109.6S251 S252 A296 E298N235-S251 CarbonylContact C-O 3.55Å; N235-S251 WeakPolarHBondContact CA-O 3.28Å; N235-S252 VanDerWaalsContact OD1-CB 3.28Å; N235-S252 WeakPolarHBondContact OD1-CB 3.39Å; N235-S252 PolarHBondContact OD1-OG 2.85Å; N235-A296 HydrophobicContact CB-CB 4.39Å; N235-A296 PolarHBondContact N-O 3.13Å; N235-A296 PolarHBondContact O-N 3.46Å; N235-E298 PolarHBondContact ND2-OE2 3.17Å
236E95.7Very high92.8Very high4 Ų447.9 Ų47.92%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-99.5130.8172.2176.6-171.465.100108.5G127 K128 Y129 G130 A250 S251 L293 H294G127-E236 VanDerWaalsContact CA-OE2 3.29Å; G127-E236 WeakPolarHBondContact CA-OE2 3.3Å; K128-E236 PolarHBondContact N-OE1 3.45Å; K128-E236 PolarHBondContact N-OE2 2.79Å; Y129-E236 WeakPolarHBondContact CD2-OE1 3.48Å; Y129-E236 PolarHBondContact N-OE1 2.88Å; G130-E236 PolarHBondContact N-OE2 2.76Å; E236-A250 CarbonylContact O-C 3.59Å; E236-A250 VanDerWaalsContact O-CA 3.27Å; E236-A250 WeakPolarHBondContact O-CA 3.44Å; E236-S251 PolarHBondContact N-O 2.86Å; E236-S251 PolarHBondContact O-N 2.77Å; E236-L293 HydrophobicContact CG-CD1 3.67Å; E236-H294 WeakPolarHBondContact CA-O 3.44Å
237T94.7Very high92.7Very high22 Ų2252.5 Ų52.514%0.13526%0.262CS..EExtended strand (participates in β ladder)trans-124.1121.2172-60.30000109.9I239 K247 L293 H294T237-I239 HydrophobicContact CG2-CG1 4.19Å; T237-K247 HydrophobicContact CG2-CB 4.15Å; T237-K247 HydrophobicContact CG2-CD 3.71Å; T237-K247 HydrophobicContact CG2-CG 3.65Å; T237-L293 WeakPolarHBondContact O-CA 3.29Å; T237-H294 PolarHBondContact N-O 3.18Å; T237-H294 PolarHBondContact O-N 3.39Å
238C94.5Very high92.6Very high0 Ų050.3 Ų50.30%026%0.259CS..EExtended strand (participates in β ladder)trans-91.4133.3172.2-58.20000109.7F61 I64 V248 A249 I292F61-C238 HydrophobicContact CB-CB 4.4Å; F61-C238 HydrophobicContact CD1-CB 3.76Å; F61-C238 HydrophobicContact CE1-CB 4.12Å; F61-C238 HydrophobicContact CG-CB 4.03Å; I64-C238 HydrophobicContact CD1-CB 3.81Å; C238-V248 HydrophobicContact CB-CG2 3.73Å; C238-V248 VanDerWaalsContact O-CG2 3.29Å; C238-V248 WeakPolarHBondContact O-CG2 3.17Å; C238-V248 PolarHBondContact O-N 2.86Å; C238-A249 HydrophobicContact CB-CB 4.15Å; C238-A249 PolarHBondContact N-O 2.88Å; C238-A249 PolarHBondContact O-N 2.81Å; C238-I292 WeakPolarHBondContact CA-O 3.48Å
239I92.4Very high92.3Very high10 Ų1051 Ų515%0.05127%0.265CS..EExtended strand (participates in β ladder)trans-116.5139.2-174.6-58.9-180000110.3F61 T237 K241 V246 I292 H294F61-I239 WeakPolarHBondContact CE1-O 3.26Å; T237-I239 HydrophobicContact CG2-CG1 4.19Å; I239-K241 PolarHBondContact O-N 2.67Å; I239-V246 WeakPolarHBondContact CA-O 3.48Å; I239-I292 PolarHBondContact N-O 2.98Å; I239-H294 WeakPolarHBondContact CD1-CE1 3.49Å; I239-H294 WeakPolarHBondContact CD1-NE2 3.46Å
240S89.1Confident92.1Very high22 Ų2254.1 Ų54.115%0.15429%0.291CS..  trans-60.5128.1175.6179.50000111L242 E243 V246S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.92Å; S240-L242 PolarHBondContact OG-N 2.67Å; S240-E243 WeakPolarHBondContact CB-O 3.47Å; S240-E243 CarbonylContact O-C 3.59Å; S240-E243 PolarHBondContact OG-N 2.79Å; S240-E243 VanDerWaalsContact OG-N 3.14Å; S240-V246 PolarHBondContact N-O 3.4Å
241K85.4Confident91.9Very high128 Ų12854.9 Ų54.956%0.55730%0.296SS*.SBendtrans-68.8-26.8170.7-175177.3-177.4176.90112.6C78 E79 I239 I292C78-K241 VanDerWaalsContact SG-CB 3.58Å; E79-K241 PolarHBondContact O-NZ 3.3Å; I239-K241 PolarHBondContact O-N 2.67Å; K241-I292 HydrophobicContact CB-CG2 4.14Å
242L86.1Confident91.8Very high159 Ų15956 Ų5683%0.83231%0.31SS*.SBendtrans-84.2-34.1-178-61.6176.6000112.1S240S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.92Å; S240-L242 PolarHBondContact OG-N 2.67Å
243E85.3Confident91.7Very high119 Ų11958.2 Ų58.256%0.55632%0.318SS*.SBendtrans-127.194.7-177.6-67176.1-159.500108.9S240 N245 V246S240-E243 WeakPolarHBondContact CB-O 3.47Å; S240-E243 CarbonylContact O-C 3.59Å; S240-E243 PolarHBondContact OG-N 2.79Å; S240-E243 VanDerWaalsContact OG-N 3.14Å; E243-N245 PolarHBondContact O-N 2.9Å; E243-V246 HydrophobicContact CB-CB 3.94Å; E243-V246 HydrophobicContact CB-CG2 3.6Å; E243-V246 WeakPolarHBondContact O-CB 3.35Å; E243-V246 PolarHBondContact O-N 2.97Å; E243-V246 VanDerWaalsContact O-N 3.12Å; E243-V246 WeakPolarHBondContact OE2-CG2 3.44Å
244P82.2Confident91.7Very high101 Ų10159.5 Ų59.566%0.65634%0.337SS*.THydrogen-bonded Turntrans-51.9142178.8-26.434.4000111.8V246P244-V246 PolarHBondContact O-N 2.91Å
245N82.7Confident91.7Very high137 Ų13760.2 Ų60.273%0.73334%0.342SS*.THydrogen-bonded Turntrans68.6-1.4-177.7-49.1-50.1000116.2E243 K247E243-N245 PolarHBondContact O-N 2.9Å; N245-K247 PolarHBondContact O-N 2.79Å
246V89.6Confident91.8Very high60 Ų6060.7 Ų60.736%0.36435%0.346SS..  trans-81.7111.5172.3177.10000109.6I239 S240 E243 P244 V248I239-V246 WeakPolarHBondContact CA-O 3.48Å; S240-V246 PolarHBondContact N-O 3.4Å; E243-V246 HydrophobicContact CB-CB 3.94Å; E243-V246 HydrophobicContact CB-CG2 3.6Å; E243-V246 WeakPolarHBondContact O-CB 3.35Å; E243-V246 PolarHBondContact O-N 2.97Å; E243-V246 VanDerWaalsContact O-N 3.12Å; E243-V246 WeakPolarHBondContact OE2-CG2 3.44Å; P244-V246 PolarHBondContact O-N 2.91Å; V246-V248 PolarHBondContact O-N 3.17Å
247K90.6Very high91.9Very high150 Ų15066 Ų6665%0.65237%0.37SS*.EExtended strand (participates in β ladder)trans-70.8120.2176.1-57-174-178.8-173.90109.6T237 N245T237-K247 HydrophobicContact CG2-CB 4.15Å; T237-K247 HydrophobicContact CG2-CD 3.71Å; T237-K247 HydrophobicContact CG2-CG 3.65Å; N245-K247 PolarHBondContact O-N 2.79Å
248V90.6Very high92Very high48 Ų4866.7 Ų66.729%0.29137%0.374SS..EExtended strand (participates in β ladder)trans-97.3-28.4177.3-65.90000112.4F61 I64 C238 V246F61-V248 HydrophobicContact CE1-CG2 4.13Å; F61-V248 HydrophobicContact CE2-CG2 4.08Å; F61-V248 HydrophobicContact CZ-CG2 3.68Å; I64-V248 HydrophobicContact CD1-CG2 3.79Å; I64-V248 WeakPolarHBondContact CG2-O 3.23Å; C238-V248 HydrophobicContact CB-CG2 3.73Å; C238-V248 VanDerWaalsContact O-CG2 3.29Å; C238-V248 WeakPolarHBondContact O-CG2 3.17Å; C238-V248 PolarHBondContact O-N 2.86Å; V246-V248 PolarHBondContact O-N 3.17Å
249A91.8Very high92.2Very high16 Ų1670.7 Ų70.713%0.13239%0.393CS..EExtended strand (participates in β ladder)trans-150.8155.7169.800000110.6I64 Y129 C238I64-A249 HydrophobicContact CB-CB 4.43Å; I64-A249 HydrophobicContact CD1-CB 3.55Å; I64-A249 HydrophobicContact CG1-CB 3.77Å; I64-A249 HydrophobicContact CG2-CB 3.85Å; Y129-A249 HydrophobicContact CD2-CB 3.89Å; Y129-A249 HydrophobicContact CE2-CB 4.05Å; Y129-A249 HydrophobicContact CG-CB 4.43Å; C238-A249 HydrophobicContact CB-CB 4.15Å; C238-A249 PolarHBondContact N-O 2.88Å; C238-A249 PolarHBondContact O-N 2.81Å
250A93.4Very high92.4Very high67 Ų6770.7 Ų70.755%0.55439%0.393SS*.EExtended strand (participates in β ladder)trans-137.4143.7167.900000109.3E236E236-A250 CarbonylContact O-C 3.59Å; E236-A250 VanDerWaalsContact O-CA 3.27Å; E236-A250 WeakPolarHBondContact O-CA 3.44Å
251S94.8Very high92.5Very high15 Ų1575.9 Ų75.911%0.10542%0.419CS..EExtended strand (participates in β ladder)trans-134.3144.8175.7166.80000108.9K128 N235 E236K128-S251 WeakPolarHBondContact CD-OG 3.47Å; N235-S251 CarbonylContact C-O 3.55Å; N235-S251 WeakPolarHBondContact CA-O 3.28Å; E236-S251 PolarHBondContact N-O 2.86Å; E236-S251 PolarHBondContact O-N 2.77Å
252S96.2Very high92.9Very high61 Ų6172 Ų7243%0.42740%0.402SS..EExtended strand (participates in β ladder)trans-124.4134.7169.2-169.10000108.9M233 Q234 N235M233-S252 WeakPolarHBondContact CE-OG 3.45Å; Q234-S252 CarbonylContact O-C 3.57Å; Q234-S252 WeakPolarHBondContact O-CA 3.2Å; N235-S252 VanDerWaalsContact OD1-CB 3.28Å; N235-S252 WeakPolarHBondContact OD1-CB 3.39Å; N235-S252 PolarHBondContact OD1-OG 2.85Å
253R97Very high93.3Very high49 Ų4969.6 Ų69.619%0.18538%0.382CS..EExtended strand (participates in β ladder)trans-132.1134.117861.2178.7178.6178.9-0.7111.1E126 M233 Q234 F357E126-R253 PolarHBondContact O-NH1 2.96Å; E126-R253 PolarHBondContact O-NH2 3.43Å; M233-R253 WeakPolarHBondContact CA-O 3.42Å; Q234-R253 HydrophobicContact CB-CG 3.96Å; Q234-R253 PolarHBondContact N-O 2.83Å; Q234-R253 PolarHBondContact O-N 3.18Å; R253-F357 HydrophobicContact CB-CE1 4.44Å; R253-F357 HydrophobicContact CG-CE1 3.92Å; R253-F357 HydrophobicContact CG-CE2 4.38Å; R253-F357 HydrophobicContact CG-CZ 3.63Å
254G97.9Very high93.7Very high49 Ų4964.5 Ų64.551%0.50536%0.359SS..EExtended strand (participates in β ladder)trans-69.9128174.100000110.8
255V98.4Very high94.3Very high16 Ų1663.4 Ų63.410%0.09735%0.353CS..EExtended strand (participates in β ladder)trans-91-50.9179.4168.60000110.7L232 Q234 P281 L283 Y297 V356 F357L232-V255 HydrophobicContact CB-CB 4.06Å; L232-V255 HydrophobicContact CB-CG1 4.42Å; L232-V255 HydrophobicContact CD2-CB 4.23Å; L232-V255 HydrophobicContact CD2-CG1 3.9Å; L232-V255 HydrophobicContact CD2-CG2 4.49Å; L232-V255 HydrophobicContact CG-CB 4.01Å; L232-V255 HydrophobicContact CG-CG1 4.25Å; L232-V255 HydrophobicContact CG-CG2 4.16Å; L232-V255 VanDerWaalsContact O-CB 3.29Å; L232-V255 WeakPolarHBondContact O-CB 3.41Å; L232-V255 PolarHBondContact O-N 2.85Å; Q234-V255 HydrophobicContact CB-CG2 3.94Å; V255-P281 HydrophobicContact CG1-CG 3.27Å; V255-L283 HydrophobicContact CB-CD1 4.21Å; V255-L283 HydrophobicContact CG1-CD1 3.36Å; V255-L283 HydrophobicContact CG1-CD2 4.42Å; V255-L283 HydrophobicContact CG1-CG 4.21Å; V255-L283 HydrophobicContact CG2-CD1 3.78Å; V255-L283 HydrophobicContact CG2-CD2 4.37Å; V255-Y297 HydrophobicContact CG2-CE1 4.4Å; V255-V356 HydrophobicContact CG1-CG1 4.25Å; V255-F357 HydrophobicContact CB-CZ 4.45Å; V255-F357 HydrophobicContact CG2-CE2 4.41Å; V255-F357 HydrophobicContact CG2-CZ 3.68Å
256V98.4Very high94.7Very high42 Ų4257.9 Ų57.926%0.25533%0.329SS..EExtended strand (participates in β ladder)trans-149.5146.4-179.659.20000107.9R231 L232 F278R231-V256 VanDerWaalsContact CA-O 3.3Å; R231-V256 WeakPolarHBondContact CA-O 3.49Å; L232-V256 HydrophobicContact CB-CG1 3.81Å; L232-V256 PolarHBondContact N-O 2.8Å; L232-V256 VanDerWaalsContact N-O 3.13Å; V256-F278 HydrophobicContact CG1-CB 3.88Å; V256-F278 HydrophobicContact CG1-CD1 4.1Å; V256-F278 HydrophobicContact CG1-CD2 3.84Å; V256-F278 HydrophobicContact CG1-CE2 4.43Å; V256-F278 HydrophobicContact CG1-CG 3.67Å; V256-F278 HydrophobicContact CG2-CB 4.15Å
257E98.1Very high94.8Very high115 Ų11561.9 Ų61.954%0.53734%0.338SS..EExtended strand (participates in β ladder)trans-129.1132176.7179.8173.612500108.9T229 A230 R231T229-E257 HydrophobicContact CG2-CG 3.37Å; A230-E257 WeakPolarHBondContact O-CA 3.44Å; R231-E257 HydrophobicContact CG-CB 4.22Å; R231-E257 HydrophobicContact CG-CG 4.02Å; R231-E257 IonicContact CZ-OE2 3.91Å; R231-E257 IonicContact NE-OE2 2.76Å; R231-E257 PolarHBondContact NE-OE2 3.14Å; R231-E257 IonicContact NH2-OE2 2.77Å; R231-E257 PolarHBondContact NH2-OE2 3.36Å
258T98.2Very high95.1Very high36 Ų3656.1 Ų56.122%0.22132%0.316CS..EExtended strand (participates in β ladder)trans-129.3122.2174.5-53.50000109.6T229 A230 L260 L277T229-T258 WeakPolarHBondContact CA-O 3.43Å; A230-T258 PolarHBondContact N-O 3.49Å; A230-T258 PolarHBondContact O-N 2.91Å; T258-L260 HydrophobicContact CG2-CD2 4.14Å; T258-L277 WeakPolarHBondContact CB-O 3.29Å; T258-L277 VanDerWaalsContact CG2-O 3.26Å; T258-L277 WeakPolarHBondContact CG2-O 3.34Å; T258-L277 PolarHBondContact OG1-O 2.93Å
259E97.9Very high95.4Very high85 Ų8560.9 Ų60.940%0.39733%0.333SS..EExtended strand (participates in β ladder)trans-81.5124.5168.4-177.7173.9171.800109.9R227R227-E259 HydrophobicContact CG-CG 4.05Å; R227-E259 IonicContact CZ-OE1 3.47Å; R227-E259 IonicContact CZ-OE2 3.36Å; R227-E259 IonicContact NE-OE1 2.7Å; R227-E259 PolarHBondContact NE-OE1 2.81Å; R227-E259 IonicContact NE-OE2 2.9Å; R227-E259 VanDerWaalsContact NH1-CD 3.28Å; R227-E259 IonicContact NH1-OE1 2.67Å; R227-E259 IonicContact NH1-OE2 3.47Å; R227-E259 PolarHBondContact NH1-OE2 3.34Å; R227-E259 IonicContact NH2-OE1 2.95Å; R227-E259 PolarHBondContact NH2-OE1 2.93Å; R227-E259 IonicContact NH2-OE2 3.08Å; R227-E259 PolarHBondContact NH2-OE2 3.31Å
260L96.6Very high95.7Very high9 Ų964.7 Ų64.75%0.04735%0.347CS..EExtended strand (participates in β ladder)trans-90125.8174.2-46.3179.9000109L215 I228 T258 K262 L277L215-L260 HydrophobicContact CD1-CD1 3.92Å; I228-L260 HydrophobicContact CB-CB 4.24Å; I228-L260 HydrophobicContact CB-CD1 4.24Å; I228-L260 HydrophobicContact CB-CG 4.48Å; I228-L260 HydrophobicContact CG2-CD1 3.89Å; I228-L260 HydrophobicContact CG2-CG 4.48Å; I228-L260 PolarHBondContact O-N 3.21Å; T258-L260 HydrophobicContact CG2-CD2 4.14Å; L260-K262 HydrophobicContact CB-CG 3.69Å; L260-K262 PolarHBondContact O-N 2.87Å; L260-L277 HydrophobicContact CD1-CD2 3.94Å; L260-L277 HydrophobicContact CD2-CD2 4.3Å
261D92Very high95.9Very high132 Ų13264.6 Ų64.671%0.70634%0.342SS*.  trans-75.369.1174.7-170.629.4000111.5R263D261-R263 IonicContact OD1-CZ 3.94Å; D261-R263 IonicContact OD1-NH1 2.68Å; D261-R263 IonicContact OD1-NH2 3.73Å; D261-R263 PolarHBondContact OD1-NH2 3.13Å
262K93.2Very high96Very high45 Ų4564.5 Ų64.520%0.19634%0.34CS..  trans-127.5133.4-175.3-50.8-65.8166.41670108.5I228 L260 W272 E275I228-K262 HydrophobicContact CD1-CB 3.83Å; I228-K262 HydrophobicContact CD1-CG 4.45Å; I228-K262 HydrophobicContact CG1-CB 4.3Å; L260-K262 HydrophobicContact CB-CG 3.69Å; L260-K262 PolarHBondContact O-N 2.87Å; K262-W272 HydrophobicContact CB-CH2 4.4Å; K262-W272 HydrophobicContact CB-CZ2 3.87Å; K262-W272 HydrophobicContact CD-CG 4.28Å; K262-E275 WeakPolarHBondContact CE-OE2 3.16Å; K262-E275 IonicContact NZ-OE1 2.76Å; K262-E275 PolarHBondContact NZ-OE1 2.85Å; K262-E275 IonicContact NZ-OE2 2.7Å; K262-E275 PolarHBondContact NZ-OE2 2.83Å
263R94.1Very high96Very high109 Ų10965.5 Ų65.541%0.41135%0.345SS..  trans-134.5149.6-178.5-56.3-66.2-179.3-88.3-2.2109.4T226 D261T226-R263 VanDerWaalsContact O-CD 3.22Å; T226-R263 WeakPolarHBondContact O-CD 3.4Å; T226-R263 PolarHBondContact O-NE 2.83Å; T226-R263 PolarHBondContact O-NH1 2.83Å; T226-R263 VanDerWaalsContact O-NH1 3.1Å; D261-R263 IonicContact OD1-CZ 3.94Å; D261-R263 IonicContact OD1-NH1 2.68Å; D261-R263 IonicContact OD1-NH2 3.73Å; D261-R263 PolarHBondContact OD1-NH2 3.13Å
264L94.7Very high96Very high12 Ų1269 Ų696%0.06337%0.367CS..BIsolated β-bridgetrans-146127.9178.5-171.461.2000109.6V217 N219 A224 L225 S268 K270 W272V217-L264 HydrophobicContact CB-CD2 4.04Å; V217-L264 HydrophobicContact CG1-CD2 3.69Å; N219-L264 HydrophobicContact CB-CD2 3.92Å; N219-L264 HydrophobicContact CB-CG 4.48Å; A224-L264 CarbonylContact C-O 3.54Å; A224-L264 WeakPolarHBondContact CA-O 3.34Å; L225-L264 HydrophobicContact CB-CB 3.74Å; L225-L264 HydrophobicContact CD2-CB 3.88Å; L225-L264 HydrophobicContact CG-CB 4.47Å; L225-L264 PolarHBondContact N-O 2.79Å; L225-L264 PolarHBondContact O-N 3.45Å; L264-S268 WeakPolarHBondContact CD1-OG 3.48Å; L264-S268 WeakPolarHBondContact CG-OG 3.48Å; L264-K270 HydrophobicContact CD1-CB 3.49Å; L264-K270 VanDerWaalsContact CD1-CB 3.49Å; L264-K270 HydrophobicContact CD1-CD 4.25Å; L264-K270 HydrophobicContact CD2-CB 4.45Å; L264-W272 HydrophobicContact CB-CH2 4.28Å
265S93.9Very high96Very high78 Ų7868.4 Ų68.455%0.54535%0.351SS..  trans-67.5164.3175.553.80000111.2N219 S268N219-S265 PolarHBondContact ND2-O 2.73Å; S265-S268 PolarHBondContact O-OG 3.09Å; S265-S268 PolarHBondContact OG-OG 2.75Å
266G91.7Very high95.9Very high22 Ų2272.5 Ų72.523%0.22737%0.368CS..SBendtrans-59.3156.2166.900000111.4S221 S268S221-G266 CarbonylContact O-C 3.57Å; S221-G266 WeakPolarHBondContact O-CA 3.38Å; G266-S268 VanDerWaalsContact C-N 3.31Å; G266-S268 PolarHBondContact O-N 2.87Å
267R92.1Very high95.9Very high144 Ų14470.5 Ų70.554%0.54336%0.356SS..SBendtrans52.746.3177.7-55.2-61.8-176.9169-7.8112.9N219 D220 S221N219-R267 CarbonylContact O-C 3.52Å; N219-R267 WeakPolarHBondContact O-CA 3.2Å; N219-R267 PolarHBondContact O-N 2.82Å; D220-R267 WeakPolarHBondContact O-CD 3Å; D220-R267 PolarHBondContact O-NE 2.87Å; D220-R267 PolarHBondContact O-NH1 2.77Å; D220-R267 PolarHBondContact O-NH2 3.34Å; S221-R267 PolarHBondContact O-N 2.98Å
268S95.8Very high96Very high28 Ų2865.2 Ų65.220%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-145.8161.5-17871.30000112.5N219 L264 S265 G266N219-S268 PolarHBondContact N-O 3.2Å; N219-S268 PolarHBondContact O-N 2.68Å; N219-S268 VanDerWaalsContact O-N 3.08Å; L264-S268 WeakPolarHBondContact CD1-OG 3.48Å; L264-S268 WeakPolarHBondContact CG-OG 3.48Å; S265-S268 PolarHBondContact O-OG 3.09Å; S265-S268 PolarHBondContact OG-OG 2.75Å; G266-S268 VanDerWaalsContact C-N 3.31Å; G266-S268 PolarHBondContact O-N 2.87Å
269K96.9Very high96Very high148 Ų14866.7 Ų66.764%0.64334%0.34SS*.EExtended strand (participates in β ladder)trans-125.4139.8177171.8178.5179.21760108.7V217 V218V217-K269 VanDerWaalsContact O-CA 3.31Å; V217-K269 WeakPolarHBondContact O-CA 3.47Å; V218-K269 HydrophobicContact CG2-CB 4.44Å; V218-K269 HydrophobicContact CG2-CD 4.04Å; V218-K269 HydrophobicContact CG2-CG 4.02Å
270K97.8Very high96Very high96 Ų9662.7 Ų62.742%0.41732%0.321SS..EExtended strand (participates in β ladder)trans-144.7145.9173.6-170.4161.8178.5-177.70111.1V217 L264 W272V217-K270 PolarHBondContact N-O 2.9Å; V217-K270 PolarHBondContact O-N 3.28Å; L264-K270 HydrophobicContact CD1-CB 3.49Å; L264-K270 VanDerWaalsContact CD1-CB 3.49Å; L264-K270 HydrophobicContact CD1-CD 4.25Å; L264-K270 HydrophobicContact CD2-CB 4.45Å; K270-W272 HydrophobicContact CB-CH2 4.07Å; K270-W272 HydrophobicContact CB-CZ2 4.13Å; K270-W272 HydrophobicContact CB-CZ3 4.34Å; K270-W272 HydrophobicContact CD-CH2 4.26Å; K270-W272 HydrophobicContact CD-CZ2 3.51Å; K270-W272 HydrophobicContact CG-CD2 4.19Å; K270-W272 HydrophobicContact CG-CH2 4.24Å; K270-W272 HydrophobicContact CG-CZ2 3.81Å
271S97.8Very high96Very high66 Ų6663.7 Ų63.746%0.46233%0.328SS..EExtended strand (participates in β ladder)trans-115.2140.2173.71790000109.2L215L215-S271 CarbonylContact O-C 3.5Å; L215-S271 VanDerWaalsContact O-CA 3.3Å; L215-S271 WeakPolarHBondContact O-CA 3.23Å
272W97.4Very high96.3Very high13 Ų1357.8 Ų57.85%0.04930%0.297CS..EExtended strand (participates in β ladder)trans-128.793.8176.3-66.6-78.6000108.5S214 L215 V217 L225 I228 K262 L264 K270 E275S214-W272 WeakPolarHBondContact CA-O 3.41Å; L215-W272 HydrophobicContact CB-CB 4.38Å; L215-W272 HydrophobicContact CB-CE3 4.22Å; L215-W272 PolarHBondContact N-O 3.37Å; L215-W272 PolarHBondContact O-N 3.21Å; V217-W272 HydrophobicContact CB-CZ3 3.83Å; V217-W272 HydrophobicContact CG2-CE3 4.37Å; V217-W272 HydrophobicContact CG2-CZ3 3.62Å; L225-W272 HydrophobicContact CD2-CH2 4.06Å; I228-W272 HydrophobicContact CD1-CH2 4.33Å; I228-W272 HydrophobicContact CD1-CZ3 4.11Å; K262-W272 HydrophobicContact CB-CH2 4.4Å; K262-W272 HydrophobicContact CB-CZ2 3.87Å; K262-W272 HydrophobicContact CD-CG 4.28Å; L264-W272 HydrophobicContact CB-CH2 4.28Å; K270-W272 HydrophobicContact CB-CH2 4.07Å; K270-W272 HydrophobicContact CB-CZ2 4.13Å; K270-W272 HydrophobicContact CB-CZ3 4.34Å; K270-W272 HydrophobicContact CD-CH2 4.26Å; K270-W272 HydrophobicContact CD-CZ2 3.51Å; K270-W272 HydrophobicContact CG-CD2 4.19Å; K270-W272 HydrophobicContact CG-CH2 4.24Å; K270-W272 HydrophobicContact CG-CZ2 3.81Å; W272-E275 HydrophobicContact CB-CG 3.52Å; W272-E275 WeakPolarHBondContact CB-OE1 3.41Å; W272-E275 HydrophobicContact CG-CG 4.48Å
273P97.1Very high96.5Very high82 Ų8255.8 Ų55.853%0.53229%0.288SS..EExtended strand (participates in β ladder)trans-76.7144.6-17930.8-33.9000111.5E275P273-E275 VanDerWaalsContact C-N 3.28Å; P273-E275 PolarHBondContact O-N 2.91Å
274N96.1Very high96.6Very high123 Ų12350.9 Ų50.966%0.65827%0.271SS*.EExtended strand (participates in β ladder)trans51.940.2171.6-55.1-46.6000114.6A213 S214 F276A213-N274 CarbonylContact O-C 3.52Å; A213-N274 PolarHBondContact O-N 3.37Å; S214-N274 PolarHBondContact OG-N 2.89Å; N274-F276 PolarHBondContact O-N 2.84Å
275E97.3Very high96.6Very high36 Ų3651 Ų5117%0.16827%0.274CS..EExtended strand (participates in β ladder)trans-70128.3175.6-67.2-66.6167.800110.2V212 A213 K262 W272 P273 L277V212-E275 CarbonylContact C-O 3.57Å; V212-E275 VanDerWaalsContact CA-O 3.25Å; V212-E275 WeakPolarHBondContact CA-O 3.19Å; A213-E275 PolarHBondContact N-O 2.94Å; A213-E275 PolarHBondContact O-N 2.7Å; K262-E275 WeakPolarHBondContact CE-OE2 3.16Å; K262-E275 IonicContact NZ-OE1 2.76Å; K262-E275 PolarHBondContact NZ-OE1 2.85Å; K262-E275 IonicContact NZ-OE2 2.7Å; K262-E275 PolarHBondContact NZ-OE2 2.83Å; W272-E275 HydrophobicContact CB-CG 3.52Å; W272-E275 WeakPolarHBondContact CB-OE1 3.41Å; W272-E275 HydrophobicContact CG-CG 4.48Å; P273-E275 VanDerWaalsContact C-N 3.28Å; P273-E275 PolarHBondContact O-N 2.91Å; E275-L277 PolarHBondContact O-N 2.89Å
276F97.9Very high96.6Very high102 Ų10247.7 Ų47.745%0.44725%0.251SS..EExtended strand (participates in β ladder)trans-68.6125.1169.3173.7-95.9000109.7A210 N274 F278A210-F276 HydrophobicContact CB-CD2 4.13Å; A210-F276 HydrophobicContact CB-CE2 3.87Å; N274-F276 PolarHBondContact O-N 2.84Å; F276-F278 VanDerWaalsContact CZ-C 3.41Å; F276-F278 VanDerWaalsContact CZ-CA 3.5Å
277L98.3Very high96.7Very high0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-97.1-58.8176.9-54.9-172.1000110.3V211 A213 A230 T258 L260 E275 L299 L301V211-L277 HydrophobicContact CG1-CD1 4.23Å; V211-L277 PolarHBondContact O-N 2.93Å; A213-L277 HydrophobicContact CB-CD1 3.76Å; A213-L277 HydrophobicContact CB-CD2 4.5Å; A213-L277 HydrophobicContact CB-CG 4.2Å; A230-L277 HydrophobicContact CB-CB 4.05Å; A230-L277 HydrophobicContact CB-CD1 4.43Å; A230-L277 HydrophobicContact CB-CD2 4.07Å; A230-L277 HydrophobicContact CB-CG 4.41Å; T258-L277 WeakPolarHBondContact CB-O 3.29Å; T258-L277 VanDerWaalsContact CG2-O 3.26Å; T258-L277 WeakPolarHBondContact CG2-O 3.34Å; T258-L277 PolarHBondContact OG1-O 2.93Å; L260-L277 HydrophobicContact CD1-CD2 3.94Å; L260-L277 HydrophobicContact CD2-CD2 4.3Å; E275-L277 PolarHBondContact O-N 2.89Å; L277-L299 HydrophobicContact CD1-CD1 3.78Å; L277-L299 HydrophobicContact CD1-CD2 3.73Å; L277-L299 HydrophobicContact CD1-CG 4.43Å; L277-L301 HydrophobicContact CD1-CD2 4.35Å
278F98.4Very high96.6Very high4 Ų443.9 Ų43.92%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-167.1168.7179.946.6-100.8000110.4V211 A230 L232 V256 F276 V280 L299V211-F278 HydrophobicContact CB-CD2 4.1Å; V211-F278 HydrophobicContact CB-CE2 3.8Å; V211-F278 HydrophobicContact CB-CZ 4.2Å; V211-F278 HydrophobicContact CG1-CE2 4.37Å; V211-F278 HydrophobicContact CG1-CZ 4.3Å; V211-F278 HydrophobicContact CG2-CD2 3.89Å; V211-F278 HydrophobicContact CG2-CE2 3.41Å; V211-F278 VanDerWaalsContact CG2-CE2 3.41Å; V211-F278 HydrophobicContact CG2-CZ 4.14Å; V211-F278 PolarHBondContact N-O 2.8Å; A230-F278 HydrophobicContact CB-CD1 4.48Å; L232-F278 HydrophobicContact CB-CE1 4.18Å; L232-F278 HydrophobicContact CB-CE2 3.84Å; L232-F278 HydrophobicContact CB-CZ 3.65Å; L232-F278 HydrophobicContact CD1-CZ 4.47Å; L232-F278 HydrophobicContact CD2-CE2 4.08Å; L232-F278 HydrophobicContact CG-CE2 4.4Å; L232-F278 HydrophobicContact CG-CZ 4.46Å; V256-F278 HydrophobicContact CG1-CB 3.88Å; V256-F278 HydrophobicContact CG1-CD1 4.1Å; V256-F278 HydrophobicContact CG1-CD2 3.84Å; V256-F278 HydrophobicContact CG1-CE2 4.43Å; V256-F278 HydrophobicContact CG1-CG 3.67Å; V256-F278 HydrophobicContact CG2-CB 4.15Å; F276-F278 VanDerWaalsContact CZ-C 3.41Å; F276-F278 VanDerWaalsContact CZ-CA 3.5Å; F278-V280 HydrophobicContact CE2-CG2 4.47Å; F278-L299 HydrophobicContact CE1-CD1 3.65Å; F278-L299 HydrophobicContact CZ-CD1 3.98Å
279T98.2Very high96.4Very high67 Ų6744.6 Ų44.641%0.41124%0.24SC..EExtended strand (participates in β ladder)trans-97.5131.7164.7-57.80000108.7G208 E209 P281G208-T279 WeakPolarHBondContact O-CG2 3.35Å; E209-T279 WeakPolarHBondContact O-CA 3.43Å; T279-P281 WeakPolarHBondContact O-CD 3.32Å
280V98.2Very high96.2Very high1 Ų137.6 Ų37.61%0.00621%0.21CC..  trans-62.8120.7177.9-178.20000109P207 G208 E209 V211 L232 F278 I321P207-V280 HydrophobicContact CG-CG1 4.4Å; G208-V280 PolarHBondContact N-O 3.28Å; E209-V280 PolarHBondContact O-N 2.88Å; V211-V280 HydrophobicContact CG2-CG2 3.77Å; L232-V280 HydrophobicContact CD2-CG1 4.32Å; F278-V280 HydrophobicContact CE2-CG2 4.47Å; V280-I321 HydrophobicContact CG1-CD1 3.82Å; V280-I321 HydrophobicContact CG1-CG2 4.36Å; V280-I321 HydrophobicContact CG2-CD1 4.16Å
281P98.2Very high95.9Very high29 Ų2937 Ų3719%0.18822%0.216CC..  trans-81.5179.9179.834.8-36.1000111.9P207 V255 T279 L283 V356P207-P281 WeakPolarHBondContact CB-O 3.25Å; V255-P281 HydrophobicContact CG1-CG 3.27Å; T279-P281 WeakPolarHBondContact O-CD 3.32Å; P281-L283 HydrophobicContact CG-CD1 4.17Å; P281-L283 HydrophobicContact CG-CG 4.34Å; P281-L283 PolarHBondContact O-N 2.91Å; P281-L283 VanDerWaalsContact O-N 3.17Å; P281-V356 HydrophobicContact CB-CB 3.94Å; P281-V356 HydrophobicContact CB-CG1 4.46Å; P281-V356 HydrophobicContact CB-CG2 3.83Å; P281-V356 HydrophobicContact CG-CB 4.09Å; P281-V356 HydrophobicContact CG-CG1 4.08Å; P281-V356 HydrophobicContact CG-CG2 3.98Å
282S97.8Very high95.8Very high8 Ų834 Ų346%0.05620%0.195CC..SBendtrans-63.5114.5177.2-175.20000111.7V353 Q354 V356S282-V353 PolarHBondContact OG-O 3.1Å; S282-Q354 VanDerWaalsContact CB-O 3.24Å; S282-Q354 WeakPolarHBondContact CB-O 3.4Å; S282-Q354 PolarHBondContact OG-O 3.36Å; S282-V356 PolarHBondContact O-N 2.83Å
283L97Very high95.6Very high3 Ų333.6 Ų33.62%0.01619%0.193CC..  trans-152.2156.2-173.9-77.1174.8000111.2L232 V255 P281 Y297 V356 F357 Y380L232-L283 HydrophobicContact CD2-CD1 4.22Å; V255-L283 HydrophobicContact CB-CD1 4.21Å; V255-L283 HydrophobicContact CG1-CD1 3.36Å; V255-L283 HydrophobicContact CG1-CD2 4.42Å; V255-L283 HydrophobicContact CG1-CG 4.21Å; V255-L283 HydrophobicContact CG2-CD1 3.78Å; V255-L283 HydrophobicContact CG2-CD2 4.37Å; P281-L283 HydrophobicContact CG-CD1 4.17Å; P281-L283 HydrophobicContact CG-CG 4.34Å; P281-L283 PolarHBondContact O-N 2.91Å; P281-L283 VanDerWaalsContact O-N 3.17Å; L283-Y297 HydrophobicContact CD1-CE1 3.77Å; L283-V356 HydrophobicContact CD2-CG1 3.46Å; L283-V356 VanDerWaalsContact CD2-CG1 3.46Å; L283-V356 HydrophobicContact CG-CG1 3.96Å; L283-F357 HydrophobicContact CD2-CD2 3.85Å; L283-F357 HydrophobicContact CD2-CE2 3.3Å; L283-F357 HydrophobicContact CD2-CZ 4.08Å; L283-Y380 VanDerWaalsContact C-CD2 3.46Å
284P95.8Very high95.5Very high6 Ų631.2 Ų31.24%0.03918%0.175CC..PPolyproline II helixtrans-66.9150.7171.228.3-32.5000111Y125 I295 Y297 Y380Y125-P284 HydrophobicContact CD2-CB 4.21Å; Y125-P284 HydrophobicContact CD2-CG 3.67Å; Y125-P284 HydrophobicContact CE2-CG 3.88Å; P284-I295 HydrophobicContact CB-CD1 4.5Å; P284-Y297 WeakPolarHBondContact O-CE2 3.03Å; P284-Y297 PolarHBondContact O-OH 3.25Å; P284-Y380 HydrophobicContact CB-CD1 4.31Å; P284-Y380 HydrophobicContact CB-CE1 3.62Å; P284-Y380 HydrophobicContact CB-CE2 4.37Å; P284-Y380 HydrophobicContact CG-CE1 4.45Å; P284-Y380 HydrophobicContact CG-CE2 4.4Å
285A95Very high95.5Very high16 Ų1625.8 Ų25.813%0.13215%0.146CC..PPolyproline II helixtrans-62.4157.7170.400000111.6C161 I321C161-A285 HydrophobicContact CB-CB 4.04Å; A285-I321 CarbonylContact C-O 3.54Å; A285-I321 WeakPolarHBondContact CA-O 3.49Å
286S94.6Very high95.4Very high8 Ų825.4 Ų25.46%0.05615%0.149CC..PPolyproline II helixtrans-62.2136.8168.3-36.70000108.4I295 Y297 Q320 I321S286-I295 CarbonylContact C-O 3.52Å; S286-I295 WeakPolarHBondContact CA-O 3.22Å; S286-Y297 WeakPolarHBondContact OG-CD2 3.26Å; S286-Q320 WeakPolarHBondContact OG-CA 3.16Å; S286-I321 PolarHBondContact N-O 2.77Å; S286-I321 PolarHBondContact OG-N 3.45Å; S286-I321 PolarHBondContact OG-O 3.43Å
287S92.6Very high95.4Very high19 Ų1920.8 Ų20.813%0.13313%0.129CC..EExtended strand (participates in β ladder)trans-155.8136.9-174.7-171.60000112.5S289 H294 I295S287-S289 PolarHBondContact OG-N 3.38Å; S287-S289 PolarHBondContact OG-OG 3.12Å; S287-H294 CarbonylContact O-C 3.56Å; S287-H294 WeakPolarHBondContact O-CA 3.4Å; S287-I295 PolarHBondContact N-O 3.25Å; S287-I295 PolarHBondContact O-N 3.5Å
288E91.4Very high95.3Very high67 Ų6722.1 Ų22.131%0.31314%0.135SC..EExtended strand (participates in β ladder)trans-116.411164.9-55.3-163.1122.500111.5L165 N166 C290 H294L165-E288 HydrophobicContact CB-CG 4.45Å; L165-E288 HydrophobicContact CD1-CG 3.36Å; L165-E288 VanDerWaalsContact CD1-OE1 3.28Å; L165-E288 WeakPolarHBondContact CD1-OE1 3.45Å; L165-E288 HydrophobicContact CG-CG 4.47Å; N166-E288 PolarHBondContact N-OE2 2.83Å; E288-C290 PolarHBondContact O-N 2.88Å; E288-H294 HydrophobicContact CG-CB 4.38Å; E288-H294 WeakPolarHBondContact CG-ND1 3.06Å; E288-H294 IonicContact OE1-CE1 3.71Å; E288-H294 PolarHBondContact OE1-CE1 3.31Å; E288-H294 IonicContact OE1-CG 2.71Å; E288-H294 IonicContact OE1-ND1 3.34Å; E288-H294 PolarHBondContact OE1-ND1 3.25Å
289S90.8Very high95.4Very high42 Ų4222 Ų2229%0.29413%0.134SC..EExtended strand (participates in β ladder)trans-68.8-22.1-175.3-50.70000112.4S287 P291S287-S289 PolarHBondContact OG-N 3.38Å; S287-S289 PolarHBondContact OG-OG 3.12Å; S289-P291 WeakPolarHBondContact O-CD 3.34Å
290C92.8Very high95.4Very high2 Ų220 Ų201%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-88.9119.2174.7-1710000110.4A59 Y82 L122 I132 E288 I292 L293 H294A59-C290 VanDerWaalsContact CB-SG 3.54Å; Y82-C290 PolarHBondContact OH-SG 3.48Å; L122-C290 HydrophobicContact CD1-CB 3.47Å; L122-C290 VanDerWaalsContact CD1-CB 3.47Å; I132-C290 HydrophobicContact CD1-CB 4.13Å; E288-C290 PolarHBondContact O-N 2.88Å; C290-I292 PolarHBondContact O-N 3.27Å; C290-L293 HydrophobicContact CB-CB 4.3Å; C290-L293 WeakPolarHBondContact CB-O 3.41Å; C290-L293 PolarHBondContact O-N 3.47Å; C290-H294 PolarHBondContact O-CD2 3.17Å
291P92.2Very high95.4Very high84 Ų8420 Ų2055%0.54512%0.12SC..THydrogen-bonded Turntrans-59.5-18.8-175.1-26.834.4000116.2L80 S289L80-P291 HydrophobicContact CD2-CG 4.2Å; S289-P291 WeakPolarHBondContact O-CD 3.34Å
292I94Very high95.3Very high3 Ų320.5 Ų20.52%0.01512%0.12CC..THydrogen-bonded Turntrans-115.9-6.2-174.463.3167.8000113.1A59 F61 L80 C238 I239 K241 C290A59-I292 HydrophobicContact CB-CD1 4.07Å; A59-I292 HydrophobicContact CB-CG1 4.31Å; F61-I292 HydrophobicContact CD1-CB 4.36Å; F61-I292 HydrophobicContact CD1-CD1 4.44Å; F61-I292 HydrophobicContact CE1-CB 4.12Å; L80-I292 HydrophobicContact CB-CD1 3.99Å; C238-I292 WeakPolarHBondContact CA-O 3.48Å; I239-I292 PolarHBondContact N-O 2.98Å; K241-I292 HydrophobicContact CB-CG2 4.14Å; C290-I292 PolarHBondContact O-N 3.27Å
293L94.5Very high95.2Very high3 Ų320.1 Ų20.12%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-148.1112.8-172-170.267.2000111.3Y125 I132 E236 T237 C290Y125-L293 HydrophobicContact CD1-CD2 3.49Å; Y125-L293 VanDerWaalsContact CD1-CD2 3.49Å; Y125-L293 HydrophobicContact CE1-CD2 3.81Å; Y125-L293 HydrophobicContact CE1-CG 4.45Å; Y125-L293 HydrophobicContact CG-CD2 4.48Å; I132-L293 HydrophobicContact CG1-CD2 4.16Å; E236-L293 HydrophobicContact CG-CD1 3.67Å; T237-L293 WeakPolarHBondContact O-CA 3.29Å; C290-L293 HydrophobicContact CB-CB 4.3Å; C290-L293 WeakPolarHBondContact CB-O 3.41Å; C290-L293 PolarHBondContact O-N 3.47Å
294H94.6Very high95Very high32 Ų3221.9 Ų21.915%0.14813%0.128CC..EExtended strand (participates in β ladder)trans-109143177-65.9-165.2000110.6E236 T237 I239 S287 E288 C290E236-H294 WeakPolarHBondContact CA-O 3.44Å; T237-H294 PolarHBondContact N-O 3.18Å; T237-H294 PolarHBondContact O-N 3.39Å; I239-H294 WeakPolarHBondContact CD1-CE1 3.49Å; I239-H294 WeakPolarHBondContact CD1-NE2 3.46Å; S287-H294 CarbonylContact O-C 3.56Å; S287-H294 WeakPolarHBondContact O-CA 3.4Å; E288-H294 HydrophobicContact CG-CB 4.38Å; E288-H294 WeakPolarHBondContact CG-ND1 3.06Å; E288-H294 IonicContact OE1-CE1 3.71Å; E288-H294 PolarHBondContact OE1-CE1 3.31Å; E288-H294 IonicContact OE1-CG 2.71Å; E288-H294 IonicContact OE1-ND1 3.34Å; E288-H294 PolarHBondContact OE1-ND1 3.25Å; C290-H294 PolarHBondContact O-CD2 3.17Å
295I95.7Very high94.7Very high9 Ų921.9 Ų21.95%0.04613%0.128CC..EExtended strand (participates in β ladder)trans-121.3120178.7-53.2162.2000107.9Y125 Q234 P284 S286 S287 Y297Y125-I295 HydrophobicContact CD1-CD1 4.3Å; Y125-I295 HydrophobicContact CD2-CD1 3.24Å; Y125-I295 HydrophobicContact CD2-CG1 4Å; Y125-I295 HydrophobicContact CE1-CD1 4.47Å; Y125-I295 HydrophobicContact CE1-CG1 4.38Å; Y125-I295 HydrophobicContact CE2-CD1 3.49Å; Y125-I295 VanDerWaalsContact CE2-CD1 3.49Å; Y125-I295 HydrophobicContact CE2-CG1 3.72Å; Y125-I295 HydrophobicContact CE2-CG2 4.25Å; Y125-I295 HydrophobicContact CG-CD1 3.69Å; Y125-I295 HydrophobicContact CG-CG1 4.44Å; Q234-I295 HydrophobicContact CG-CG2 3.99Å; P284-I295 HydrophobicContact CB-CD1 4.5Å; S286-I295 CarbonylContact C-O 3.52Å; S286-I295 WeakPolarHBondContact CA-O 3.22Å; S287-I295 PolarHBondContact N-O 3.25Å; S287-I295 PolarHBondContact O-N 3.5Å; I295-Y297 HydrophobicContact CG2-CE2 3.83Å
296A96Very high94.3Very high29 Ų2924 Ų2424%0.2415%0.145CC..EExtended strand (participates in β ladder)trans-130.8165176.600000110.6L165 N235L165-A296 HydrophobicContact CD2-CB 4.17Å; N235-A296 HydrophobicContact CB-CB 4.39Å; N235-A296 PolarHBondContact N-O 3.13Å; N235-A296 PolarHBondContact O-N 3.46Å
297Y97.4Very high93.4Very high5 Ų524.7 Ų24.72%0.0215%0.15CC..EExtended strand (participates in β ladder)trans-134.6155.4179.9-64.8-92.4000111.6L232 M233 Q234 V255 L283 P284 S286 I295 L319 I321L232-Y297 HydrophobicContact CD1-CD1 4.19Å; L232-Y297 HydrophobicContact CG-CD1 4.42Å; M233-Y297 VanDerWaalsContact O-CA 3.24Å; M233-Y297 WeakPolarHBondContact O-CA 3.39Å; M233-Y297 WeakPolarHBondContact O-CD1 3.43Å; Q234-Y297 HydrophobicContact CB-CD1 3.84Å; Q234-Y297 HydrophobicContact CB-CE1 3.52Å; Q234-Y297 HydrophobicContact CG-CD1 4Å; Q234-Y297 HydrophobicContact CG-CE1 3.45Å; Q234-Y297 VanDerWaalsContact CG-CE1 3.45Å; Q234-Y297 HydrophobicContact CG-CE2 4.48Å; Q234-Y297 PolarHBondContact NE2-OH 2.71Å; V255-Y297 HydrophobicContact CG2-CE1 4.4Å; L283-Y297 HydrophobicContact CD1-CE1 3.77Å; P284-Y297 WeakPolarHBondContact O-CE2 3.03Å; P284-Y297 PolarHBondContact O-OH 3.25Å; S286-Y297 WeakPolarHBondContact OG-CD2 3.26Å; I295-Y297 HydrophobicContact CG2-CE2 3.83Å; Y297-L319 CarbonylContact C-O 3.57Å; Y297-L319 PolarHBondContact O-N 2.83Å; Y297-I321 HydrophobicContact CD1-CG1 3.87Å; Y297-I321 HydrophobicContact CD2-CB 3.83Å; Y297-I321 HydrophobicContact CD2-CG1 3.58Å; Y297-I321 HydrophobicContact CE1-CG1 4.11Å; Y297-I321 HydrophobicContact CE2-CB 3.76Å; Y297-I321 HydrophobicContact CE2-CG1 3.82Å; Y297-I321 HydrophobicContact CG-CB 4.37Å; Y297-I321 HydrophobicContact CG-CG1 3.59Å
298E97.3Very high92.4Very high28 Ų2835.5 Ų35.513%0.13119%0.188CC..EExtended strand (participates in β ladder)trans-146.8145.5173.360.5-177.1-129.500110.3M233 N235 Q300 Q316 V317M233-E298 HydrophobicContact CB-CG 3.71Å; M233-E298 HydrophobicContact CG-CG 4.23Å; M233-E298 PolarHBondContact N-O 3.28Å; M233-E298 PolarHBondContact O-N 3.26Å; M233-E298 VanDerWaalsContact O-N 3.09Å; N235-E298 PolarHBondContact ND2-OE2 3.17Å; E298-Q300 HydrophobicContact CG-CG 4.33Å; E298-Q300 WeakPolarHBondContact OE1-CG 3.37Å; E298-Q300 PolarHBondContact OE1-NE2 2.94Å; E298-Q316 PolarHBondContact OE1-NE2 2.79Å; E298-V317 WeakPolarHBondContact CA-O 3.42Å
299L98.5Very high91.5Very high0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-84131.5162.9165.669000108.2V198 L200 A230 R231 L277 F278 L301 Q316 V317 L319V198-L299 HydrophobicContact CG1-CD2 4.37Å; L200-L299 HydrophobicContact CD1-CD2 4.13Å; L200-L299 HydrophobicContact CD2-CD2 4.15Å; A230-L299 HydrophobicContact CB-CD1 4.49Å; R231-L299 CarbonylContact O-C 3.5Å; R231-L299 WeakPolarHBondContact O-CA 3.41Å; L277-L299 HydrophobicContact CD1-CD1 3.78Å; L277-L299 HydrophobicContact CD1-CD2 3.73Å; L277-L299 HydrophobicContact CD1-CG 4.43Å; F278-L299 HydrophobicContact CE1-CD1 3.65Å; F278-L299 HydrophobicContact CZ-CD1 3.98Å; L299-L301 HydrophobicContact CD1-CD2 4.15Å; L299-Q316 CarbonylContact O-C 3.56Å; L299-Q316 WeakPolarHBondContact O-CA 3.35Å; L299-V317 HydrophobicContact CB-CB 4.22Å; L299-V317 HydrophobicContact CD2-CB 4.49Å; L299-V317 HydrophobicContact CD2-CG2 4.5Å; L299-V317 PolarHBondContact N-O 2.92Å; L299-V317 PolarHBondContact O-N 2.85Å; L299-L319 HydrophobicContact CB-CD2 3.66Å
300Q98.4Very high90.9Very high26 Ų2637.7 Ų37.712%0.12121%0.21CC..EExtended strand (participates in β ladder)trans-114.6129.4169.1-65.1-170.8-1000109.9A230 R231 M233 E298 L314 V315 Q316A230-Q300 CarbonylContact C-O 3.46Å; A230-Q300 WeakPolarHBondContact CA-O 3.41Å; R231-Q300 HydrophobicContact CB-CB 4.34Å; R231-Q300 PolarHBondContact N-O 3.45Å; R231-Q300 PolarHBondContact O-N 2.92Å; M233-Q300 HydrophobicContact CG-CB 4.46Å; M233-Q300 VanDerWaalsContact CG-CD 3.47Å; M233-Q300 HydrophobicContact CG-CG 3.7Å; E298-Q300 HydrophobicContact CG-CG 4.33Å; E298-Q300 WeakPolarHBondContact OE1-CG 3.37Å; E298-Q300 PolarHBondContact OE1-NE2 2.94Å; Q300-L314 HydrophobicContact CB-CD1 4.02Å; Q300-L314 HydrophobicContact CG-CD1 4.42Å; Q300-V315 WeakPolarHBondContact CA-O 3.17Å; Q300-Q316 HydrophobicContact CG-CG 4.26Å
301L98.2Very high90.5Very high0 Ų039.6 Ų39.60%022%0.219CC..EExtended strand (participates in β ladder)trans-108.9116.5164.2-62.4-172.2000109.6V198 L215 T229 A230 L277 L299 L303 L314 V315V198-L301 HydrophobicContact CB-CD1 4.38Å; V198-L301 HydrophobicContact CG1-CD1 4.09Å; V198-L301 HydrophobicContact CG2-CD1 3.35Å; V198-L301 HydrophobicContact CG2-CG 4.31Å; L215-L301 HydrophobicContact CD1-CD1 4.27Å; L215-L301 HydrophobicContact CD2-CD1 3.38Å; L215-L301 HydrophobicContact CG-CD1 4.47Å; T229-L301 WeakPolarHBondContact O-CA 3.06Å; A230-L301 HydrophobicContact CB-CD2 3.51Å; L277-L301 HydrophobicContact CD1-CD2 4.35Å; L299-L301 HydrophobicContact CD1-CD2 4.15Å; L301-L303 HydrophobicContact CB-CD1 4.09Å; L301-L314 CarbonylContact O-C 3.43Å; L301-L314 WeakPolarHBondContact O-CA 3.18Å; L301-V315 HydrophobicContact CB-CB 4.39Å; L301-V315 PolarHBondContact N-O 2.9Å; L301-V315 PolarHBondContact O-N 3.23Å
302E96.8Very high90.5Very high41 Ų4140.3 Ų40.319%0.19221%0.214CC..EExtended strand (participates in β ladder)trans-101.6117.7174.4179.5-176.590.700109.5I228 T229 R231 V304 F312 L313 L314I228-E302 CarbonylContact C-O 3.57Å; I228-E302 WeakPolarHBondContact CA-O 3.18Å; T229-E302 PolarHBondContact N-O 2.87Å; T229-E302 PolarHBondContact O-N 2.84Å; R231-E302 IonicContact CZ-OE1 2.99Å; R231-E302 IonicContact CZ-OE2 3.87Å; R231-E302 IonicContact NH1-OE1 2.67Å; R231-E302 PolarHBondContact NH1-OE1 3.38Å; R231-E302 IonicContact NH1-OE2 3.53Å; R231-E302 PolarHBondContact NH1-OE2 3.33Å; R231-E302 IonicContact NH2-OE1 2.98Å; R231-E302 PolarHBondContact NH2-OE1 2.77Å; R231-E302 VanDerWaalsContact NH2-OE1 3.14Å; R231-E302 IonicContact NH2-OE2 3.59Å; E302-V304 HydrophobicContact CG-CG2 4.13Å; E302-F312 HydrophobicContact CG-CB 4.21Å; E302-F312 HydrophobicContact CG-CD2 4.08Å; E302-F312 HydrophobicContact CG-CG 4.33Å; E302-L313 WeakPolarHBondContact CA-O 3.11Å; E302-L314 HydrophobicContact CB-CD1 4.26Å
303L96Very high90.5Very high0 Ų040.3 Ų40.30%021%0.214CC..EExtended strand (participates in β ladder)trans-106.2113.6177.6-71.781.2000108.8C196 V217 L225 R227 I228 L301 F305 F312 L313C196-L303 HydrophobicContact CB-CD1 4.14Å; C196-L303 HydrophobicContact CB-CD2 3.9Å; V217-L303 HydrophobicContact CG1-CD2 4.01Å; V217-L303 HydrophobicContact CG2-CD2 3.66Å; L225-L303 HydrophobicContact CD1-CB 3.72Å; L225-L303 HydrophobicContact CD1-CD2 4.07Å; L225-L303 HydrophobicContact CD1-CG 4.14Å; L225-L303 HydrophobicContact CD2-CD2 4.46Å; R227-L303 WeakPolarHBondContact O-CA 3.28Å; I228-L303 HydrophobicContact CG1-CG 4.17Å; I228-L303 HydrophobicContact CG2-CD1 4.35Å; I228-L303 HydrophobicContact CG2-CG 4.23Å; L301-L303 HydrophobicContact CB-CD1 4.09Å; L303-F305 HydrophobicContact CB-CE2 3.69Å; L303-F305 HydrophobicContact CB-CZ 3.88Å; L303-F305 HydrophobicContact CD2-CZ 4.29Å; L303-F305 WeakPolarHBondContact O-CD2 3.31Å; L303-F305 WeakPolarHBondContact O-CE2 3.4Å; L303-F312 CarbonylContact O-C 3.55Å; L303-F312 WeakPolarHBondContact O-CA 3.46Å; L303-F312 WeakPolarHBondContact O-CB 3.38Å; L303-L313 HydrophobicContact CB-CB 4.24Å; L303-L313 PolarHBondContact N-O 2.78Å; L303-L313 PolarHBondContact O-N 2.79Å
304V92.9Very high90.6Very high40 Ų4042.3 Ų42.324%0.24222%0.224CC..EExtended strand (participates in β ladder)trans-100.7135.9-179.4-176.20000110L225 T226 R227 E302 F312L225-V304 WeakPolarHBondContact CD1-O 3.45Å; T226-V304 PolarHBondContact N-O 2.88Å; T226-V304 PolarHBondContact OG1-O 2.91Å; R227-V304 HydrophobicContact CB-CB 4.23Å; R227-V304 PolarHBondContact N-O 2.97Å; R227-V304 PolarHBondContact O-N 3.02Å; E302-V304 HydrophobicContact CG-CG2 4.13Å; V304-F312 HydrophobicContact CG2-CB 4.35Å
305F88.8Confident90.8Very high6 Ų640.9 Ų40.93%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-115.8150.7-178.2-61.5-90.2000111.5I194 A224 L225 L303 S307 L313I194-F305 HydrophobicContact CB-CZ 4.26Å; I194-F305 HydrophobicContact CD1-CD1 3.4Å; I194-F305 VanDerWaalsContact CD1-CD1 3.4Å; I194-F305 HydrophobicContact CD1-CD2 3.78Å; I194-F305 HydrophobicContact CD1-CE1 3.4Å; I194-F305 VanDerWaalsContact CD1-CE1 3.4Å; I194-F305 HydrophobicContact CD1-CE2 3.78Å; I194-F305 HydrophobicContact CD1-CG 3.62Å; I194-F305 HydrophobicContact CD1-CZ 3.63Å; I194-F305 HydrophobicContact CG1-CE1 4.42Å; I194-F305 HydrophobicContact CG1-CZ 4.47Å; I194-F305 HydrophobicContact CG2-CE1 3.69Å; I194-F305 HydrophobicContact CG2-CE2 3.69Å; I194-F305 HydrophobicContact CG2-CZ 3.13Å; A224-F305 CarbonylContact O-C 3.43Å; A224-F305 WeakPolarHBondContact O-CA 3.46Å; L225-F305 HydrophobicContact CB-CD1 3.95Å; L225-F305 HydrophobicContact CB-CE1 3.6Å; L225-F305 HydrophobicContact CB-CZ 4.4Å; L225-F305 HydrophobicContact CD1-CD1 4.13Å; L225-F305 HydrophobicContact CD1-CE1 3.52Å; L225-F305 HydrophobicContact CD1-CE2 4.07Å; L225-F305 HydrophobicContact CD1-CZ 3.45Å; L225-F305 VanDerWaalsContact CD1-CZ 3.45Å; L225-F305 HydrophobicContact CG-CE1 4.13Å; L225-F305 HydrophobicContact CG-CZ 4.46Å; L303-F305 HydrophobicContact CB-CE2 3.69Å; L303-F305 HydrophobicContact CB-CZ 3.88Å; L303-F305 HydrophobicContact CD2-CZ 4.29Å; L303-F305 WeakPolarHBondContact O-CD2 3.31Å; L303-F305 WeakPolarHBondContact O-CE2 3.4Å; F305-S307 PolarHBondContact O-N 2.7Å; F305-L313 HydrophobicContact CE2-CB 4.28Å
306A86.8Confident90.9Very high60 Ų6045 Ų4550%0.49624%0.237SC..SBendtrans-68.870.8170.300000110.5S223 A224 T226S223-A306 VanDerWaalsContact CB-O 3.25Å; S223-A306 WeakPolarHBondContact CB-O 3.48Å; S223-A306 PolarHBondContact OG-O 3.04Å; A224-A306 PolarHBondContact O-N 3.18Å; T226-A306 HydrophobicContact CG2-CB 3.74Å
307S76.8Confident91Very high22 Ų2243.6 Ų43.615%0.15423%0.226CC..  trans-115.9149.8175176.90000110F305 S309F305-S307 PolarHBondContact O-N 2.7Å; S307-S309 PolarHBondContact O-N 3.19Å; S307-S309 PolarHBondContact OG-N 2.91Å; S307-S309 PolarHBondContact OG-OG 2.67Å
308R70.6Confident90.9Very high246 Ų24647.2 Ų47.293%0.92825%0.25SC*.THydrogen-bonded Turntrans-66.6-19.7172.4-68.6-172.4177.2-179.1-1113.1
309S73.2Confident90.8Very high58 Ų5846.3 Ų46.341%0.40625%0.245SC..THydrogen-bonded Turntrans-91.82.8-175.952.30000114.2S307 Q311S307-S309 PolarHBondContact O-N 3.19Å; S307-S309 PolarHBondContact OG-N 2.91Å; S307-S309 PolarHBondContact OG-OG 2.67Å; S309-Q311 PolarHBondContact O-N 2.95Å; S309-Q311 VanDerWaalsContact O-N 3.08Å; S309-Q311 WeakPolarHBondContact OG-CG 3.28Å; S309-Q311 PolarHBondContact OG-NE2 3.45Å; S309-Q311 VanDerWaalsContact OG-NE2 3.17Å; S309-Q311 PolarHBondContact OG-OE1 2.95Å
310S76.9Confident90.6Very high97 Ų9747.4 Ų47.468%0.67825%0.251SS*.  trans52.428.7-174-55.60000113.5
311Q84.4Confident90.4Very high43 Ų4346.3 Ų46.320%0.20125%0.246CC..  trans-65.5142.3177.7-81.1167.33.200111V185 S309V185-Q311 VanDerWaalsContact CA-OE1 3.27Å; S309-Q311 PolarHBondContact O-N 2.95Å; S309-Q311 VanDerWaalsContact O-N 3.08Å; S309-Q311 WeakPolarHBondContact OG-CG 3.28Å; S309-Q311 PolarHBondContact OG-NE2 3.45Å; S309-Q311 VanDerWaalsContact OG-NE2 3.17Å; S309-Q311 PolarHBondContact OG-OE1 2.95Å
312F92Very high90.2Very high99 Ų9946.8 Ų46.843%0.43425%0.25SS..EExtended strand (participates in β ladder)trans-134.5155174.262.3-86.4000109.4E302 L303 V304 L314E302-F312 HydrophobicContact CG-CB 4.21Å; E302-F312 HydrophobicContact CG-CD2 4.08Å; E302-F312 HydrophobicContact CG-CG 4.33Å; L303-F312 CarbonylContact O-C 3.55Å; L303-F312 WeakPolarHBondContact O-CA 3.46Å; L303-F312 WeakPolarHBondContact O-CB 3.38Å; V304-F312 HydrophobicContact CG2-CB 4.35Å; F312-L314 HydrophobicContact CD2-CB 4.16Å; F312-L314 HydrophobicContact CE2-CB 3.99Å
313L95.3Very high89.9Confident3 Ų345.4 Ų45.42%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-101128.2166.5167.763.6000107.7D181 E183 I194 C196 E302 L303 F305 V315D181-L313 HydrophobicContact CB-CD1 4.08Å; E183-L313 HydrophobicContact CB-CB 4.14Å; E183-L313 HydrophobicContact CB-CD1 3.92Å; I194-L313 HydrophobicContact CG2-CD2 4.15Å; C196-L313 HydrophobicContact CB-CD2 3.79Å; E302-L313 WeakPolarHBondContact CA-O 3.11Å; L303-L313 HydrophobicContact CB-CB 4.24Å; L303-L313 PolarHBondContact N-O 2.78Å; L303-L313 PolarHBondContact O-N 2.79Å; F305-L313 HydrophobicContact CE2-CB 4.28Å; L313-V315 HydrophobicContact CD2-CG2 4.43Å; L313-V315 HydrophobicContact CG-CG2 4.27Å
314L96.8Very high89.7Confident44 Ų4445.9 Ų45.923%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-109.8118.1174.2-174.768.5000108.9Q300 L301 E302 F312 Q316Q300-L314 HydrophobicContact CB-CD1 4.02Å; Q300-L314 HydrophobicContact CG-CD1 4.42Å; L301-L314 CarbonylContact O-C 3.43Å; L301-L314 WeakPolarHBondContact O-CA 3.18Å; E302-L314 HydrophobicContact CB-CD1 4.26Å; F312-L314 HydrophobicContact CD2-CB 4.16Å; F312-L314 HydrophobicContact CE2-CB 3.99Å; L314-Q316 HydrophobicContact CD2-CG 3.98Å; L314-Q316 HydrophobicContact CG-CG 3.96Å
315V98.1Very high89.5Confident2 Ų246.2 Ų46.21%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-102.8122.2169.8-171.80000108.2D181 C196 V198 Q300 L301 L313 V317D181-V315 HydrophobicContact CB-CG1 4.47Å; D181-V315 HydrophobicContact CB-CG2 4.08Å; C196-V315 HydrophobicContact CB-CG2 3.74Å; V198-V315 HydrophobicContact CG2-CB 4.31Å; V198-V315 HydrophobicContact CG2-CG1 3.88Å; Q300-V315 WeakPolarHBondContact CA-O 3.17Å; L301-V315 HydrophobicContact CB-CB 4.39Å; L301-V315 PolarHBondContact N-O 2.9Å; L301-V315 PolarHBondContact O-N 3.23Å; L313-V315 HydrophobicContact CD2-CG2 4.43Å; L313-V315 HydrophobicContact CG-CG2 4.27Å; V315-V317 HydrophobicContact CG1-CG2 4.37Å
316Q97.9Very high89.2Confident95 Ų9547.5 Ų47.544%0.44426%0.256SS..EExtended strand (participates in β ladder)trans-108.6129.7178.7-57.6-178.3-90.800110E298 L299 Q300 L314E298-Q316 PolarHBondContact OE1-NE2 2.79Å; L299-Q316 CarbonylContact O-C 3.56Å; L299-Q316 WeakPolarHBondContact O-CA 3.35Å; Q300-Q316 HydrophobicContact CG-CG 4.26Å; L314-Q316 HydrophobicContact CD2-CG 3.98Å; L314-Q316 HydrophobicContact CG-CG 3.96Å
317V97.7Very high88.7Confident1 Ų147.7 Ų47.71%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-124.4104.1179.8-173.40000108.7H179 V198 L200 L203 E298 L299 V315 L319H179-V317 HydrophobicContact CB-CG1 4.47Å; H179-V317 HydrophobicContact CB-CG2 3.69Å; V198-V317 HydrophobicContact CB-CG2 4.41Å; V198-V317 HydrophobicContact CG1-CG2 4.41Å; L200-V317 HydrophobicContact CD1-CB 4.49Å; L200-V317 HydrophobicContact CD1-CG1 3.72Å; L203-V317 HydrophobicContact CD2-CG1 3.97Å; E298-V317 WeakPolarHBondContact CA-O 3.42Å; L299-V317 HydrophobicContact CB-CB 4.22Å; L299-V317 HydrophobicContact CD2-CB 4.49Å; L299-V317 HydrophobicContact CD2-CG2 4.5Å; L299-V317 PolarHBondContact N-O 2.92Å; L299-V317 PolarHBondContact O-N 2.85Å; V315-V317 HydrophobicContact CG1-CG2 4.37Å; V317-L319 PolarHBondContact O-N 3.38Å
318P95.7Very high88.2Confident81 Ų8151.1 Ų51.153%0.52627%0.269SS..EExtended strand (participates in β ladder)trans-59.6130.5173.8-21.933.4000110.3
319L95.2Very high87.4Confident8 Ų844.3 Ų44.34%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-143.1167.7178.464.377.2000110.5L203 Y205 L232 Y297 L299 V317 I321L203-L319 CarbonylContact O-C 3.6Å; L203-L319 WeakPolarHBondContact O-CA 3.34Å; L203-L319 WeakPolarHBondContact O-CB 3.25Å; Y205-L319 HydrophobicContact CD2-CD2 4.45Å; L232-L319 HydrophobicContact CD1-CD1 4.01Å; Y297-L319 CarbonylContact C-O 3.57Å; Y297-L319 PolarHBondContact O-N 2.83Å; L299-L319 HydrophobicContact CB-CD2 3.66Å; V317-L319 PolarHBondContact O-N 3.38Å; L319-I321 HydrophobicContact CD1-CD1 3.83Å; L319-I321 HydrophobicContact CD1-CG1 4.37Å
320Q94.2Very high86.1Confident24 Ų2446.8 Ų46.811%0.11226%0.263CS..EExtended strand (participates in β ladder)trans-115.1134.1178.4-58.9-165.13.100110.6L165 L173 L203 I204 Y205 S286L165-Q320 HydrophobicContact CD2-CG 4.28Å; L165-Q320 PolarHBondContact O-NE2 2.84Å; L173-Q320 HydrophobicContact CD1-CB 4.45Å; L173-Q320 HydrophobicContact CD1-CG 4.14Å; L173-Q320 HydrophobicContact CD2-CG 4.14Å; L203-Q320 PolarHBondContact O-N 2.7Å; I204-Q320 WeakPolarHBondContact CA-O 3.49Å; I204-Q320 HydrophobicContact CG1-CB 4.42Å; Y205-Q320 PolarHBondContact N-O 3.44Å; S286-Q320 WeakPolarHBondContact OG-CA 3.16Å
321I94.9Very high83.9Confident3 Ų345.5 Ų45.52%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-90.5122.9160.6-56.2-52.5000108.2Y205 P207 L232 V280 A285 S286 Y297 L319Y205-I321 CarbonylContact O-C 3.59Å; Y205-I321 VanDerWaalsContact O-CA 3.29Å; Y205-I321 WeakPolarHBondContact O-CA 3.32Å; P207-I321 HydrophobicContact CG-CG2 4.18Å; L232-I321 HydrophobicContact CD2-CD1 4.34Å; V280-I321 HydrophobicContact CG1-CD1 3.82Å; V280-I321 HydrophobicContact CG1-CG2 4.36Å; V280-I321 HydrophobicContact CG2-CD1 4.16Å; A285-I321 CarbonylContact C-O 3.54Å; A285-I321 WeakPolarHBondContact CA-O 3.49Å; S286-I321 PolarHBondContact N-O 2.77Å; S286-I321 PolarHBondContact OG-N 3.45Å; S286-I321 PolarHBondContact OG-O 3.43Å; Y297-I321 HydrophobicContact CD1-CG1 3.87Å; Y297-I321 HydrophobicContact CD2-CB 3.83Å; Y297-I321 HydrophobicContact CD2-CG1 3.58Å; Y297-I321 HydrophobicContact CE1-CG1 4.11Å; Y297-I321 HydrophobicContact CE2-CB 3.76Å; Y297-I321 HydrophobicContact CE2-CG1 3.82Å; Y297-I321 HydrophobicContact CG-CB 4.37Å; Y297-I321 HydrophobicContact CG-CG1 3.59Å; L319-I321 HydrophobicContact CD1-CD1 3.83Å; L319-I321 HydrophobicContact CD1-CG1 4.37Å
322G92.4Very high81.2Confident9 Ų947.3 Ų47.39%0.09330%0.296CS..PPolyproline II helixtrans-96.2166.6173.800000112.4Y205 P207Y205-G322 PolarHBondContact O-N 3.23Å; P207-G322 WeakPolarHBondContact CD-O 3.45Å
323S91.9Very high78.1Confident12 Ų1249.6 Ų49.68%0.08431%0.312CS..PPolyproline II helixtrans-91130.4171.5-1800000110.1L325 D326 M327S323-L325 PolarHBondContact O-N 3.33Å; S323-L325 VanDerWaalsContact O-N 3.09Å; S323-L325 WeakPolarHBondContact OG-CB 3.31Å; S323-L325 PolarHBondContact OG-N 3.48Å; S323-D326 PolarHBondContact O-N 3.33Å; S323-M327 PolarHBondContact O-N 3.41Å
324P91.4Very high74.9Confident11 Ų1154.7 Ų54.77%0.07136%0.355CS..G310 helixtrans-54.1-22.1168.2-31.634.5000114.8D326 F350 P381 L383P324-D326 VanDerWaalsContact C-N 3.26Å; P324-D326 PolarHBondContact O-N 2.96Å; P324-F350 HydrophobicContact CB-CB 4.37Å; P324-F350 HydrophobicContact CB-CD1 4.29Å; P324-F350 HydrophobicContact CB-CG 4.36Å; P324-P381 HydrophobicContact CB-CB 4.15Å; P324-P381 HydrophobicContact CB-CG 4.41Å; P324-P381 HydrophobicContact CG-CB 4.23Å; P324-P381 HydrophobicContact CG-CG 4.34Å; P324-P381 WeakPolarHBondContact CG-O 3.41Å; P324-L383 HydrophobicContact CB-CD2 3.94Å; P324-L383 HydrophobicContact CG-CD2 4.12Å; P324-L383 HydrophobicContact CG-CG 4.2Å
325L88.8Confident71.6Confident47 Ų4758.1 Ų58.125%0.24638%0.378CS..G310 helixtrans-70.1-24.1174.3-62.2165.3000112.9F29 L157 S323 F350 P381F29-L325 HydrophobicContact CE1-CD1 3.85Å; F29-L325 HydrophobicContact CE1-CD2 4.46Å; F29-L325 HydrophobicContact CZ-CD1 4.44Å; L157-L325 HydrophobicContact CB-CD1 4.2Å; L157-L325 HydrophobicContact CD1-CD1 4.07Å; S323-L325 PolarHBondContact O-N 3.33Å; S323-L325 VanDerWaalsContact O-N 3.09Å; S323-L325 WeakPolarHBondContact OG-CB 3.31Å; S323-L325 PolarHBondContact OG-N 3.48Å; L325-F350 HydrophobicContact CD2-CE1 4.31Å; L325-F350 HydrophobicContact CD2-CE2 3.95Å; L325-F350 HydrophobicContact CD2-CZ 3.54Å; L325-P381 HydrophobicContact CD1-CG 4.06Å; L325-P381 HydrophobicContact CG-CB 4.49Å; L325-P381 HydrophobicContact CG-CG 3.97Å
326D82.2Confident68.3Low32 Ų3264.4 Ų64.417%0.17141%0.411CS..G310 helixtrans-104.76.4-176-58.711.1000111.2R159 C161 S162 S323 P324R159-D326 VanDerWaalsContact C-OD1 3.3Å; R159-D326 VanDerWaalsContact O-OD1 3.07Å; C161-D326 WeakPolarHBondContact CA-OD2 3.31Å; C161-D326 WeakPolarHBondContact CB-OD2 3.33Å; C161-D326 PolarHBondContact N-OD2 2.84Å; S162-D326 PolarHBondContact N-OD2 2.61Å; S162-D326 PolarHBondContact OG-OD2 3.06Å; S323-D326 PolarHBondContact O-N 3.33Å; P324-D326 VanDerWaalsContact C-N 3.26Å; P324-D326 PolarHBondContact O-N 2.96Å
327M76.7Confident64.9Low65 Ų6568.2 Ų68.232%0.3243%0.429SS..SBendtrans-58.3135.4176.5-83.4-74.2-78.500109.7Y206 S323 T329Y206-M327 HydrophobicContact CD1-CG 3.95Å; Y206-M327 HydrophobicContact CD1-SD 3.75Å; Y206-M327 HydrophobicContact CD2-CE 4.43Å; Y206-M327 HydrophobicContact CD2-SD 3.57Å; Y206-M327 VanDerWaalsContact CD2-SD 3.57Å; Y206-M327 HydrophobicContact CE1-CG 3.76Å; Y206-M327 HydrophobicContact CE1-SD 3.35Å; Y206-M327 WeakPolarHBondContact CE1-SD 3.07Å; Y206-M327 HydrophobicContact CE2-CE 4.28Å; Y206-M327 HydrophobicContact CE2-SD 3.17Å; Y206-M327 WeakPolarHBondContact CE2-SD 3.31Å; Y206-M327 HydrophobicContact CG-CG 4.42Å; Y206-M327 HydrophobicContact CG-SD 3.85Å; Y206-M327 PolarHBondContact OH-SD 3.05Å; S323-M327 PolarHBondContact O-N 3.41Å; M327-T329 PolarHBondContact O-N 3.02Å
328P66.4Low61.6Low94 Ų9471.6 Ų71.661%0.6146%0.464SS*.  trans-55.5113.1170.7-21.331.3000109.1D330P328-D330 PolarHBondContact O-N 3.16Å
329T52.7Low58.4Low103 Ų10377.3 Ų77.363%0.63248%0.484SS*.  trans-69.3130.9172.936.50000109.1M327 G331M327-T329 PolarHBondContact O-N 3.02Å; T329-G331 PolarHBondContact O-N 2.77Å
330D46.1Very low55.3Low110 Ų11081.6 Ų81.659%0.58852%0.52SS*.SBendtrans-63.3102.9172.6-154.622.4000108.4P328P328-D330 PolarHBondContact O-N 3.16Å
331G30.8Very low52.2Low70 Ų7090.1 Ų90.172%0.72256%0.557SS**  trans125.9114.7170.600000116.2T329T329-G331 PolarHBondContact O-N 2.77Å
332G28.9Very low49.1Very low81 Ų8198.4 Ų98.484%0.83560%0.595SS**SBendtrans170.882.1166.500000112.6
333D26.4Very low46.1Very low147 Ų147103.5 Ų103.579%0.78663%0.627SS**  trans69.780.5172.4-110.1-2.7000118.4T335D333-T335 VanDerWaalsContact C-N 3.27Å; D333-T335 PolarHBondContact O-N 2.91Å
334A28.6Very low43.6Very low109 Ų109108.3 Ų108.390%0.90165%0.651SS**  trans-68.688.3152.400000109.4
335T26.3Very low41Very low116 Ų116112.2 Ų112.271%0.71268%0.676SS**  trans-116.2129.3147.4440000109.1D333D333-T335 VanDerWaalsContact C-N 3.27Å; D333-T335 PolarHBondContact O-N 2.91Å
336D28.8Very low39Very low135 Ų135113.5 Ų113.572%0.72269%0.693SS**SBendtrans88.3107.2167.4-129.519.8000119.8
337Q27.5Very low37.7Very low175 Ų175118.5 Ų118.582%0.81872%0.72SS**  trans50.1116.5143.6-69.3172.45800121.1
338G26.9Very low37.2Very low71 Ų71119.9 Ų119.973%0.73272%0.724SS**  trans102.9111.5132.500000117.9
339E28.3Very low38.3Very low202 Ų202119 Ų11994%0.94472%0.72SS**  trans84.5125.6145.4-59-175.2157.800121.2
340A31.4Very low40.2Very low98 Ų98117.6 Ų117.681%0.8171%0.706SS**  trans55.577.8161.300000119.3H342A340-H342 PolarHBondContact O-N 2.91Å
341K28Very low42.5Very low202 Ų202118 Ų11888%0.87870%0.702SS**  trans-73.2102.1166.6-70.5-179177.1-177.80111.8P343K341-P343 WeakPolarHBondContact O-CD 3.23Å
342H31Very low45.6Very low178 Ų178118.3 Ų118.382%0.82468%0.682SS**  trans-81.2109.1137.4-80.1-76.4000106.4A340 L344A340-H342 PolarHBondContact O-N 2.91Å; H342-L344 PolarHBondContact O-N 2.77Å; H342-L344 VanDerWaalsContact O-N 3.15Å
343P29.9Very low48.9Very low116 Ų116116.8 Ų116.875%0.75366%0.657SS**PPolyproline II helixtrans-62.6118.7175.124.2-30.7000108.9K341K341-P343 WeakPolarHBondContact O-CD 3.23Å
344L39.2Very low52.3Low113 Ų113115.8 Ų115.859%0.59265%0.647SS**PPolyproline II helixtrans-66.1136.8173.9-68.3168.3000108.3H342 A346H342-L344 PolarHBondContact O-N 2.77Å; H342-L344 VanDerWaalsContact O-N 3.15Å; L344-A346 PolarHBondContact O-N 3.29Å
345P36.8Very low55.6Low93 Ų93111.1 Ų111.160%0.60461%0.608SS**PPolyproline II helixtrans-67.4134.2-173.922.6-30.4000112.3
346A45.4Very low59Low73 Ų73108.8 Ų108.860%0.60359%0.593SS**  trans-42.2142.217900000114.3L344 K348L344-A346 PolarHBondContact O-N 3.29Å; A346-K348 PolarHBondContact O-N 3.39Å
347N55.2Low62.3Low138 Ų138105.5 Ų105.574%0.73857%0.573SS**  trans-15.381.4171.6-141.51.4000113.8S349N347-S349 PolarHBondContact O-N 3.19Å; N347-S349 VanDerWaalsContact O-N 3.12Å
348K66.7Low65.5Low93 Ų9398.4 Ų98.440%0.40455%0.546SS..  trans-67.4117.5-177.1-72.8-172.5178.5-174.70107.8A346 L383A346-K348 PolarHBondContact O-N 3.39Å; K348-L383 HydrophobicContact CB-CD2 3.82Å; K348-L383 HydrophobicContact CD-CD1 4.05Å; K348-L383 HydrophobicContact CD-CD2 4.28Å
349S88.5Confident68.7Low76 Ų7698.2 Ų98.253%0.53153%0.532SS..  trans-59.7146.6169.758.70000109.8N347 N384N347-S349 PolarHBondContact O-N 3.19Å; N347-S349 VanDerWaalsContact O-N 3.12Å; S349-N384 WeakPolarHBondContact CB-ND2 3.41Å; S349-N384 WeakPolarHBondContact O-CB 3.45Å; S349-N384 PolarHBondContact O-N 3.15Å; S349-N384 PolarHBondContact O-ND2 3.45Å; S349-N384 PolarHBondContact OG-ND2 3.01Å
350F92.4Very high71.8Confident73 Ų7390 Ų9032%0.3250%0.497SS..EExtended strand (participates in β ladder)trans-130162.517758-95.7000110.2P324 L325 Y352 P381 V382P324-F350 HydrophobicContact CB-CB 4.37Å; P324-F350 HydrophobicContact CB-CD1 4.29Å; P324-F350 HydrophobicContact CB-CG 4.36Å; L325-F350 HydrophobicContact CD2-CE1 4.31Å; L325-F350 HydrophobicContact CD2-CE2 3.95Å; L325-F350 HydrophobicContact CD2-CZ 3.54Å; F350-Y352 HydrophobicContact CE2-CE1 4.08Å; F350-Y352 HydrophobicContact CE2-CE2 4.25Å; F350-Y352 AromaticContact CE2-CZ 3.73Å; F350-P381 HydrophobicContact CD2-CB 3.61Å; F350-P381 HydrophobicContact CE2-CB 4.05Å; F350-P381 HydrophobicContact CG-CB 4.16Å; F350-V382 CarbonylContact C-O 3.6Å; F350-V382 WeakPolarHBondContact CA-O 3.31Å; F350-V382 VanDerWaalsContact CB-O 3.23Å; F350-V382 WeakPolarHBondContact CB-O 3.27Å
351K95Very high74.6Confident119 Ų11988.5 Ų88.552%0.51748%0.478SS..EExtended strand (participates in β ladder)trans-125.3155.1173.161.2178.7-179.5-1750110.1V353 P381 V382K351-V353 HydrophobicContact CD-CG2 4.1Å; K351-V353 HydrophobicContact CG-CG2 3.8Å; K351-P381 CarbonylContact O-C 3.55Å; K351-P381 WeakPolarHBondContact O-CA 3.41Å; K351-V382 PolarHBondContact N-O 2.91Å; K351-V382 PolarHBondContact O-N 2.76Å
352Y96.6Very high77.3Confident76 Ų7681.8 Ų81.830%0.29845%0.449SS..EExtended strand (participates in β ladder)trans-88.5122.8176.2-65.5-69.2000109.9L27 F29 L157 F350 V379 Y380 P381L27-Y352 HydrophobicContact CD2-CD1 3.42Å; L27-Y352 VanDerWaalsContact CD2-CD1 3.42Å; L27-Y352 HydrophobicContact CD2-CD2 3.7Å; L27-Y352 HydrophobicContact CD2-CE1 3.49Å; L27-Y352 VanDerWaalsContact CD2-CE1 3.49Å; L27-Y352 HydrophobicContact CD2-CE2 3.75Å; L27-Y352 HydrophobicContact CD2-CG 3.53Å; F29-Y352 WeakPolarHBondContact CZ-OH 3.43Å; L157-Y352 HydrophobicContact CD1-CD1 4.18Å; L157-Y352 HydrophobicContact CD1-CE1 3.78Å; F350-Y352 HydrophobicContact CE2-CE1 4.08Å; F350-Y352 HydrophobicContact CE2-CE2 4.25Å; F350-Y352 AromaticContact CE2-CZ 3.73Å; Y352-V379 VanDerWaalsContact C-CG1 3.5Å; Y352-Y380 WeakPolarHBondContact CA-O 3.44Å; Y352-P381 HydrophobicContact CD1-CB 4.22Å; Y352-P381 HydrophobicContact CE1-CB 4.05Å
353V97.4Very high79.7Confident50 Ų5081.6 Ų81.630%0.30345%0.448SS..EExtended strand (participates in β ladder)trans-128.5138-175.7-1730000109.7S282 K351 V379 Y380 V382S282-V353 PolarHBondContact OG-O 3.1Å; K351-V353 HydrophobicContact CD-CG2 4.1Å; K351-V353 HydrophobicContact CG-CG2 3.8Å; V353-V379 VanDerWaalsContact C-CG1 3.5Å; V353-V379 WeakPolarHBondContact O-CA 3.31Å; V353-V379 WeakPolarHBondContact O-CG1 3.3Å; V353-Y380 PolarHBondContact N-O 3.23Å; V353-Y380 PolarHBondContact O-N 2.7Å; V353-V382 HydrophobicContact CB-CG2 3.76Å; V353-V382 HydrophobicContact CG2-CB 3.93Å; V353-V382 HydrophobicContact CG2-CG2 3.69Å
354Q97.8Very high82.1Confident126 Ų12677.2 Ų77.259%0.58942%0.418SS*.EExtended strand (participates in β ladder)trans-54.8142.2173.8-75.7-177.7-15.100111.5S282 T377 V379S282-Q354 VanDerWaalsContact CB-O 3.24Å; S282-Q354 WeakPolarHBondContact CB-O 3.4Å; S282-Q354 PolarHBondContact OG-O 3.36Å; Q354-T377 HydrophobicContact CB-CG2 3.75Å; Q354-T377 HydrophobicContact CG-CG2 4.17Å; Q354-V379 HydrophobicContact CG-CG2 4.24Å
355C98.1Very high83.7Confident11 Ų1176.7 Ų76.77%0.07443%0.43CS..  trans-49.7137.3176-172.10000111.9F357 G358 T377 P378 Y380C355-F357 PolarHBondContact O-N 3.02Å; C355-F357 VanDerWaalsContact O-N 3.09Å; C355-G358 PolarHBondContact O-N 2.73Å; C355-T377 HydrophobicContact CB-CG2 3.78Å; C355-P378 WeakPolarHBondContact CB-O 3.42Å; C355-P378 PolarHBondContact N-O 2.94Å; C355-Y380 HydrophobicContact CB-CD2 4.14Å; C355-Y380 HydrophobicContact CB-CE2 3.69Å
356V98Very high85.8Confident67 Ų6775.5 Ų75.541%0.40642%0.424SS..THydrogen-bonded Turntrans-58.4-25.1179.6700000113.8V255 P281 S282 L283 G358V255-V356 HydrophobicContact CG1-CG1 4.25Å; P281-V356 HydrophobicContact CB-CB 3.94Å; P281-V356 HydrophobicContact CB-CG1 4.46Å; P281-V356 HydrophobicContact CB-CG2 3.83Å; P281-V356 HydrophobicContact CG-CB 4.09Å; P281-V356 HydrophobicContact CG-CG1 4.08Å; P281-V356 HydrophobicContact CG-CG2 3.98Å; S282-V356 PolarHBondContact O-N 2.83Å; L283-V356 HydrophobicContact CD2-CG1 3.46Å; L283-V356 VanDerWaalsContact CD2-CG1 3.46Å; L283-V356 HydrophobicContact CG-CG1 3.96Å; V356-G358 PolarHBondContact O-N 2.9Å
357F97.1Very high87.5Confident66 Ų6672.5 Ų72.529%0.28940%0.398SS..THydrogen-bonded Turntrans-76.5-6.7179-63.2-62.4000113.8Q234 R253 V255 L283 C355Q234-F357 HydrophobicContact CB-CZ 4.47Å; R253-F357 HydrophobicContact CB-CE1 4.44Å; R253-F357 HydrophobicContact CG-CE1 3.92Å; R253-F357 HydrophobicContact CG-CE2 4.38Å; R253-F357 HydrophobicContact CG-CZ 3.63Å; V255-F357 HydrophobicContact CB-CZ 4.45Å; V255-F357 HydrophobicContact CG2-CE2 4.41Å; V255-F357 HydrophobicContact CG2-CZ 3.68Å; L283-F357 HydrophobicContact CD2-CD2 3.85Å; L283-F357 HydrophobicContact CD2-CE2 3.3Å; L283-F357 HydrophobicContact CD2-CZ 4.08Å; C355-F357 PolarHBondContact O-N 3.02Å; C355-F357 VanDerWaalsContact O-N 3.09Å
358G95.7Very high88.6Confident25 Ų2567.2 Ų67.226%0.25837%0.371SS..  trans71.9-165.2-179.400000113.5C355 V356 T377C355-G358 PolarHBondContact O-N 2.73Å; V356-G358 PolarHBondContact O-N 2.9Å; G358-T377 WeakPolarHBondContact O-CG2 3.39Å
359P94.7Very high89Confident67 Ų6763.3 Ų63.344%0.43536%0.355SS..  trans-76.7139.5-171.329-33.6000113E375 F376 T377P359-E375 HydrophobicContact CB-CB 4.04Å; P359-F376 WeakPolarHBondContact CA-O 3.12Å; P359-T377 WeakPolarHBondContact CA-OG1 3.18Å; P359-T377 WeakPolarHBondContact CB-OG1 3.2Å
360S92.6Very high88.2Confident31 Ų3165.3 Ų65.322%0.21737%0.369CS..EExtended strand (participates in β ladder)trans-84.9137.1157.6-570000109.1E126 E375 F376E126-S360 WeakPolarHBondContact CB-OG 3.5Å; S360-E375 WeakPolarHBondContact O-CA 3.12Å; S360-F376 PolarHBondContact N-O 3.42Å; S360-F376 PolarHBondContact O-N 2.86Å
361V90.7Very high87.1Confident66 Ų6666.5 Ų66.540%0.438%0.378SS..EExtended strand (participates in β ladder)trans-116.5133-172.7-174.70000110.1R373 I374 E375V361-R373 HydrophobicContact CG1-CG 3.57Å; V361-I374 CarbonylContact C-O 3.57Å; V361-I374 WeakPolarHBondContact CA-O 3.38Å; V361-E375 HydrophobicContact CG2-CG 4.18Å
362F83.9Confident86.5Confident61 Ų6163.6 Ų63.627%0.26837%0.368SS..EExtended strand (participates in β ladder)trans-132.7149.6178.6-41.9-79000110.3R133 I374 F376R133-F362 VanDerWaalsContact CZ-CE1 3.47Å; R133-F362 VanDerWaalsContact NH2-CE1 3.26Å; F362-I374 PolarHBondContact N-O 2.92Å; F362-I374 PolarHBondContact O-N 2.94Å; F362-F376 HydrophobicContact CE2-CB 4.25Å
363E82.8Confident86Confident174 Ų17467.4 Ų67.481%0.81338%0.382SS*.EExtended strand (participates in β ladder)trans-111.2134.8177.7-68.7-173.8174.800111.7N372E363-N372 CarbonylContact C-O 3.52Å; E363-N372 WeakPolarHBondContact CA-O 3.44Å
364M78.6Confident85.6Confident23 Ų2365.9 Ų65.911%0.11337%0.372CS..  trans-104.6101.6174.9-62.8-165.179.900110.6V149 T150 E151 S366 N367 N372 I374V149-M364 HydrophobicContact CB-CE 4.26Å; V149-M364 HydrophobicContact CG1-CE 3.74Å; V149-M364 WeakPolarHBondContact O-CE 3.23Å; T150-M364 VanDerWaalsContact CA-CE 3.5Å; E151-M364 HydrophobicContact CB-CE 3.61Å; E151-M364 HydrophobicContact CB-SD 3.76Å; E151-M364 PolarHBondContact N-SD 2.85Å; M364-S366 PolarHBondContact O-N 2.87Å; M364-N367 HydrophobicContact CB-CB 3.76Å; M364-N367 PolarHBondContact O-N 3.35Å; M364-N367 HydrophobicContact SD-CB 4.26Å; M364-N372 PolarHBondContact N-O 2.82Å; M364-N372 WeakPolarHBondContact O-CB 3.32Å; M364-I374 HydrophobicContact CG-CD1 3.55Å; M364-I374 HydrophobicContact CG-CG1 4.21Å; M364-I374 HydrophobicContact SD-CD1 3.36Å; M364-I374 WeakPolarHBondContact SD-CD1 3.39Å; M364-I374 HydrophobicContact SD-CG1 4.22Å
365A74.5Confident85.3Confident102 Ų10264.7 Ų64.784%0.84337%0.367SS*.THydrogen-bonded Turntrans-64.4-27.7176.700000113.3
366S80.8Confident85.1Confident68 Ų6864.7 Ų64.748%0.47637%0.366SS..THydrogen-bonded Turntrans-96.59.1-175.2-51.80000114.4V149 M364V149-S366 PolarHBondContact N-O 2.79Å; V149-S366 CarbonylContact O-C 3.55Å; M364-S366 PolarHBondContact O-N 2.87Å
367N81.2Confident85.1Confident11 Ų1162.3 Ų62.36%0.05935%0.351CS..  trans-84.3123.7176.6-172.8-15.8000109.9V149 T150 M364 S369 L371 N372V149-N367 WeakPolarHBondContact O-CA 3.44Å; V149-N367 VanDerWaalsContact O-CB 3.26Å; V149-N367 WeakPolarHBondContact O-CB 3.36Å; V149-N367 PolarHBondContact O-N 2.87Å; T150-N367 PolarHBondContact OG1-ND2 3.04Å; M364-N367 HydrophobicContact CB-CB 3.76Å; M364-N367 PolarHBondContact O-N 3.35Å; M364-N367 HydrophobicContact SD-CB 4.26Å; N367-S369 VanDerWaalsContact C-N 3.28Å; N367-S369 PolarHBondContact O-N 2.9Å; N367-S369 WeakPolarHBondContact OD1-CB 3.36Å; N367-S369 PolarHBondContact OD1-N 2.91Å; N367-L371 PolarHBondContact ND2-O 2.83Å; N367-N372 VanDerWaalsContact CB-OD1 3.3Å; N367-N372 WeakPolarHBondContact CB-OD1 3.39Å; N367-N372 PolarHBondContact O-OD1 3.49Å
368P77.3Confident85.1Confident26 Ų2659.3 Ų59.317%0.16934%0.338CS..SBendtrans-75.4-15179.231.3-38.3000113.9I14 F17 Y148I14-P368 HydrophobicContact CB-CB 4.14Å; I14-P368 HydrophobicContact CB-CG 4.21Å; I14-P368 HydrophobicContact CD1-CB 4.22Å; I14-P368 HydrophobicContact CD1-CG 3.81Å; I14-P368 HydrophobicContact CG2-CB 4.28Å; I14-P368 HydrophobicContact CG2-CG 3.92Å; F17-P368 HydrophobicContact CB-CG 3.97Å; F17-P368 HydrophobicContact CD1-CG 3.97Å; F17-P368 HydrophobicContact CG-CG 4.43Å; Y148-P368 HydrophobicContact CD1-CB 3.62Å; Y148-P368 HydrophobicContact CD1-CG 3.82Å; Y148-P368 HydrophobicContact CE1-CB 3.83Å; Y148-P368 HydrophobicContact CE1-CG 4.47Å; Y148-P368 HydrophobicContact CG-CB 4.12Å; Y148-P368 HydrophobicContact CG-CG 3.86Å
369S75.1Confident85.2Confident11 Ų1158.4 Ų58.48%0.07733%0.327CS..SBendtrans-71.3163.7174.8-177.60000110.9N367 L371 N372N367-S369 VanDerWaalsContact C-N 3.28Å; N367-S369 PolarHBondContact O-N 2.9Å; N367-S369 WeakPolarHBondContact OD1-CB 3.36Å; N367-S369 PolarHBondContact OD1-N 2.91Å; S369-L371 PolarHBondContact O-N 3.35Å; S369-L371 WeakPolarHBondContact OG-CB 3.4Å; S369-L371 PolarHBondContact OG-N 2.69Å; S369-L371 VanDerWaalsContact OG-N 3.1Å; S369-N372 PolarHBondContact O-OD1 3.08Å
370S71.4Confident85.3Confident118 Ų11855.4 Ų55.483%0.82531%0.308SS*.SBendtrans-69.5-13.5163.654.20000112.6N372S370-N372 PolarHBondContact O-N 2.92Å
371L70.7Confident85.5Confident99 Ų9954.1 Ų54.152%0.51830%0.299SS..  trans-83.454.6-179.1-60.7172.9000112.4N367 S369 R373N367-L371 PolarHBondContact ND2-O 2.83Å; S369-L371 PolarHBondContact O-N 3.35Å; S369-L371 WeakPolarHBondContact OG-CB 3.4Å; S369-L371 PolarHBondContact OG-N 2.69Å; S369-L371 VanDerWaalsContact OG-N 3.1Å; L371-R373 PolarHBondContact O-N 2.98Å
372N81.5Confident85.7Confident57 Ų5751.8 Ų51.831%0.30528%0.284SS..  trans-74.1-17177-67.3-7000112.5E363 M364 N367 S369 S370E363-N372 CarbonylContact C-O 3.52Å; E363-N372 WeakPolarHBondContact CA-O 3.44Å; M364-N372 PolarHBondContact N-O 2.82Å; M364-N372 WeakPolarHBondContact O-CB 3.32Å; N367-N372 VanDerWaalsContact CB-OD1 3.3Å; N367-N372 WeakPolarHBondContact CB-OD1 3.39Å; N367-N372 PolarHBondContact O-OD1 3.49Å; S369-N372 PolarHBondContact O-OD1 3.08Å; S370-N372 PolarHBondContact O-N 2.92Å
373R86.1Confident86.3Confident156 Ų15649.4 Ų49.459%0.58927%0.274SS*.EExtended strand (participates in β ladder)trans-92.5114.3-179.5-178.7175.4165.8161.1-0.9110V361 L371 E375V361-R373 HydrophobicContact CG1-CG 3.57Å; L371-R373 PolarHBondContact O-N 2.98Å; R373-E375 HydrophobicContact CG-CG 4.44Å; R373-E375 IonicContact CZ-OE1 3.56Å; R373-E375 IonicContact NE-OE1 2.91Å; R373-E375 PolarHBondContact NE-OE1 2.89Å; R373-E375 IonicContact NH2-OE1 3.16Å; R373-E375 PolarHBondContact NH2-OE1 2.79Å
374I88.2Confident86.6Confident18 Ų1844.1 Ų44.19%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-97.6130.6172.5-63.6171.7000108.5E151 P153 V361 F362 M364E151-I374 HydrophobicContact CB-CD1 3.84Å; E151-I374 HydrophobicContact CG-CD1 4.42Å; E151-I374 WeakPolarHBondContact O-CD1 3.4Å; P153-I374 HydrophobicContact CG-CG2 3.84Å; V361-I374 CarbonylContact C-O 3.57Å; V361-I374 WeakPolarHBondContact CA-O 3.38Å; F362-I374 PolarHBondContact N-O 2.92Å; F362-I374 PolarHBondContact O-N 2.94Å; M364-I374 HydrophobicContact CG-CD1 3.55Å; M364-I374 HydrophobicContact CG-CG1 4.21Å; M364-I374 HydrophobicContact SD-CD1 3.36Å; M364-I374 WeakPolarHBondContact SD-CD1 3.39Å; M364-I374 HydrophobicContact SD-CG1 4.22Å
375E91.8Very high86.3Confident102 Ų10251.8 Ų51.848%0.47731%0.307SS..EExtended strand (participates in β ladder)trans-113.5133.4170.9-55.8-164.4156.600109.6P359 S360 V361 R373P359-E375 HydrophobicContact CB-CB 4.04Å; S360-E375 WeakPolarHBondContact O-CA 3.12Å; V361-E375 HydrophobicContact CG2-CG 4.18Å; R373-E375 HydrophobicContact CG-CG 4.44Å; R373-E375 IonicContact CZ-OE1 3.56Å; R373-E375 IonicContact NE-OE1 2.91Å; R373-E375 PolarHBondContact NE-OE1 2.89Å; R373-E375 IonicContact NH2-OE1 3.16Å; R373-E375 PolarHBondContact NH2-OE1 2.79Å
376F95.1Very high86.9Confident11 Ų1149.3 Ų49.35%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-136.1122.2179.6179.7-124.5000111.4E126 R133 P153 P359 S360 F362 P378E126-F376 HydrophobicContact CG-CD1 4.05Å; E126-F376 HydrophobicContact CG-CE1 4.16Å; E126-F376 WeakPolarHBondContact OE1-CD1 3.12Å; R133-F376 HydrophobicContact CG-CE1 4.35Å; P153-F376 HydrophobicContact CB-CB 4.21Å; P153-F376 HydrophobicContact CB-CD1 4.17Å; P153-F376 HydrophobicContact CB-CD2 3.73Å; P153-F376 HydrophobicContact CB-CE2 4.12Å; P153-F376 HydrophobicContact CB-CG 3.76Å; P153-F376 HydrophobicContact CB-CZ 4.5Å; P153-F376 HydrophobicContact CG-CB 3.55Å; P153-F376 HydrophobicContact CG-CD1 4.44Å; P153-F376 HydrophobicContact CG-CD2 3.68Å; P153-F376 HydrophobicContact CG-CG 3.63Å; P359-F376 WeakPolarHBondContact CA-O 3.12Å; S360-F376 PolarHBondContact N-O 3.42Å; S360-F376 PolarHBondContact O-N 2.86Å; F362-F376 HydrophobicContact CE2-CB 4.25Å; F376-P378 HydrophobicContact CD1-CG 4.33Å; F376-P378 HydrophobicContact CE1-CG 3.67Å; F376-P378 HydrophobicContact CZ-CB 4.38Å; F376-P378 HydrophobicContact CZ-CG 3.91Å
377T97.2Very high87.2Confident17 Ų1748.3 Ų48.310%0.10427%0.27CS..  trans-121.9111.6170.8-47.30000108Q354 C355 G358 P359Q354-T377 HydrophobicContact CB-CG2 3.75Å; Q354-T377 HydrophobicContact CG-CG2 4.17Å; C355-T377 HydrophobicContact CB-CG2 3.78Å; G358-T377 WeakPolarHBondContact O-CG2 3.39Å; P359-T377 WeakPolarHBondContact CA-OG1 3.18Å; P359-T377 WeakPolarHBondContact CB-OG1 3.2Å
378P97.6Very high87.5Confident2 Ų250.3 Ų50.31%0.01328%0.282CS..  trans-54.7147170.9-24.732.3000111.4E126 C355 F376 Y380E126-P378 HydrophobicContact CB-CG 4.36Å; E126-P378 HydrophobicContact CG-CG 3.7Å; C355-P378 WeakPolarHBondContact CB-O 3.42Å; C355-P378 PolarHBondContact N-O 2.94Å; F376-P378 HydrophobicContact CD1-CG 4.33Å; F376-P378 HydrophobicContact CE1-CG 3.67Å; F376-P378 HydrophobicContact CZ-CB 4.38Å; F376-P378 HydrophobicContact CZ-CG 3.91Å; P378-Y380 HydrophobicContact CB-CE1 4.31Å; P378-Y380 HydrophobicContact CB-CE2 3.95Å; P378-Y380 WeakPolarHBondContact CB-OH 3.02Å
379V97.7Very high88.1Confident6 Ų651.8 Ų51.84%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-111.4132-179.9-170.50000109.5T155 Y352 V353 Q354T155-V379 WeakPolarHBondContact CG2-O 3.41Å; T155-V379 PolarHBondContact OG1-N 3.26Å; Y352-V379 VanDerWaalsContact C-CG1 3.5Å; V353-V379 VanDerWaalsContact C-CG1 3.5Å; V353-V379 WeakPolarHBondContact O-CA 3.31Å; V353-V379 WeakPolarHBondContact O-CG1 3.3Å; Q354-V379 HydrophobicContact CG-CG2 4.24Å
380Y97.2Very high89Confident5 Ų554.3 Ų54.32%0.0230%0.302CS..EExtended strand (participates in β ladder)trans-122.8152.4-179.3-54-72.4000111.6S124 L157 L283 P284 Y352 V353 C355 P378S124-Y380 PolarHBondContact O-OH 2.71Å; L157-Y380 HydrophobicContact CD2-CD1 3.83Å; L157-Y380 HydrophobicContact CD2-CE1 4.27Å; L283-Y380 VanDerWaalsContact C-CD2 3.46Å; P284-Y380 HydrophobicContact CB-CD1 4.31Å; P284-Y380 HydrophobicContact CB-CE1 3.62Å; P284-Y380 HydrophobicContact CB-CE2 4.37Å; P284-Y380 HydrophobicContact CG-CE1 4.45Å; P284-Y380 HydrophobicContact CG-CE2 4.4Å; Y352-Y380 WeakPolarHBondContact CA-O 3.44Å; V353-Y380 PolarHBondContact N-O 3.23Å; V353-Y380 PolarHBondContact O-N 2.7Å; C355-Y380 HydrophobicContact CB-CD2 4.14Å; C355-Y380 HydrophobicContact CB-CE2 3.69Å; P378-Y380 HydrophobicContact CB-CE1 4.31Å; P378-Y380 HydrophobicContact CB-CE2 3.95Å; P378-Y380 WeakPolarHBondContact CB-OH 3.02Å
381P95.6Very high90.1Very high4 Ų450.1 Ų50.13%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-70.6134.817527.9-32.8000110.7P324 L325 F350 K351 Y352P324-P381 HydrophobicContact CB-CB 4.15Å; P324-P381 HydrophobicContact CB-CG 4.41Å; P324-P381 HydrophobicContact CG-CB 4.23Å; P324-P381 HydrophobicContact CG-CG 4.34Å; P324-P381 WeakPolarHBondContact CG-O 3.41Å; L325-P381 HydrophobicContact CD1-CG 4.06Å; L325-P381 HydrophobicContact CG-CB 4.49Å; L325-P381 HydrophobicContact CG-CG 3.97Å; F350-P381 HydrophobicContact CD2-CB 3.61Å; F350-P381 HydrophobicContact CE2-CB 4.05Å; F350-P381 HydrophobicContact CG-CB 4.16Å; K351-P381 CarbonylContact O-C 3.55Å; K351-P381 WeakPolarHBondContact O-CA 3.41Å; Y352-P381 HydrophobicContact CD1-CB 4.22Å; Y352-P381 HydrophobicContact CE1-CB 4.05Å
382V96.5Very high91.5Very high16 Ų1646.6 Ų46.610%0.09725%0.249CC..EExtended strand (participates in β ladder)trans-129.1126.8179.9-177.50000108.5P207 F350 K351 V353 N384P207-V382 HydrophobicContact CB-CB 4.34Å; P207-V382 HydrophobicContact CB-CG1 4.34Å; P207-V382 HydrophobicContact CB-CG2 3.95Å; F350-V382 CarbonylContact C-O 3.6Å; F350-V382 WeakPolarHBondContact CA-O 3.31Å; F350-V382 VanDerWaalsContact CB-O 3.23Å; F350-V382 WeakPolarHBondContact CB-O 3.27Å; K351-V382 PolarHBondContact N-O 2.91Å; K351-V382 PolarHBondContact O-N 2.76Å; V353-V382 HydrophobicContact CB-CG2 3.76Å; V353-V382 HydrophobicContact CG2-CB 3.93Å; V353-V382 HydrophobicContact CG2-CG2 3.69Å; V382-N384 PolarHBondContact O-N 3.2Å
383L95.1Very high92.3Very high11 Ų1145.8 Ų45.86%0.05825%0.245CC..EExtended strand (participates in β ladder)trans-55.4136.4176.2-62.8178000110.2P207 E209 P324 K348 S385P207-L383 WeakPolarHBondContact O-CB 3.24Å; P207-L383 WeakPolarHBondContact O-CG 3.49Å; P207-L383 PolarHBondContact O-N 2.76Å; E209-L383 HydrophobicContact CB-CD1 4.44Å; P324-L383 HydrophobicContact CB-CD2 3.94Å; P324-L383 HydrophobicContact CG-CD2 4.12Å; P324-L383 HydrophobicContact CG-CG 4.2Å; K348-L383 HydrophobicContact CB-CD2 3.82Å; K348-L383 HydrophobicContact CD-CD1 4.05Å; K348-L383 HydrophobicContact CD-CD2 4.28Å; L383-S385 PolarHBondContact O-N 3.23Å
384N90Very high92.8Very high63 Ų6336.6 Ų36.634%0.33722%0.216SC..  trans-68.1133.7167.8-68.7-33.9000108.5S349 V382S349-N384 WeakPolarHBondContact CB-ND2 3.41Å; S349-N384 WeakPolarHBondContact O-CB 3.45Å; S349-N384 PolarHBondContact O-N 3.15Å; S349-N384 PolarHBondContact O-ND2 3.45Å; S349-N384 PolarHBondContact OG-ND2 3.01Å; V382-N384 PolarHBondContact O-N 3.2Å
385S71.9Confident93.2Very high184 Ų18438.3 Ų38.3100%1.28723%0.227SC*.  trans-64.40179.856.50000112.6L383L383-S385 PolarHBondContact O-N 3.23Å

Retrieved 385 of 385 residues in 746.2 ms (Link to these results)