A0A087WXD2_HUMAN Loading...

Membrane associated guanylate kinase, WW and PDZ domain containing 1

AlphaFold DB , UniProt , Accession A0A087WXD2, Species HUMAN (Homo sapiens, Human), Gene MAGI1, Length 980 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
1M68.3Low69Low119 Ų11986.2 Ų86.259%0.58644%0.442SS*.  0132.80-171.1-177.917700106.7Y3 V9 Y10 F11M1-Y3 WeakPolarHBondContact CE-OH 3.42Å; M1-V9 HydrophobicContact CE-CB 4.43Å; M1-V9 HydrophobicContact CE-CG1 3.62Å; M1-V9 HydrophobicContact CE-CG2 3.83Å; M1-V9 HydrophobicContact CG-CG1 3.94Å; M1-Y10 CarbonylContact C-O 3.58Å; M1-Y10 WeakPolarHBondContact CA-O 3.48Å; M1-F11 HydrophobicContact CB-CD1 4.03Å; M1-F11 HydrophobicContact CB-CE1 4.03Å; M1-F11 HydrophobicContact CG-CD1 4.23Å; M1-F11 HydrophobicContact CG-CE1 3.84Å; M1-F11 HydrophobicContact CG-CZ 4.32Å; M1-F11 HydrophobicContact SD-CE1 4.19Å
2A75.9Confident69.2Low21 Ų2183.6 Ų83.617%0.17443%0.429CS..EExtended strand (participates in β ladder)trans-151174.1-176.400000108.1Y10 I12A2-Y10 HydrophobicContact CB-CD1 4.33Å; A2-Y10 HydrophobicContact CB-CD2 4.3Å; A2-Y10 HydrophobicContact CB-CE1 3.83Å; A2-Y10 HydrophobicContact CB-CE2 3.8Å; A2-Y10 PolarHBondContact N-O 3.06Å; A2-Y10 PolarHBondContact O-N 2.92Å; A2-Y10 VanDerWaalsContact O-O 3.13Å; A2-I12 HydrophobicContact CB-CD1 4Å; A2-I12 HydrophobicContact CB-CG1 4.46Å
3Y79Confident68.9Low141 Ų14181.1 Ų81.155%0.55342%0.417SS*.EExtended strand (participates in β ladder)trans-130.2147.2-174.4-62.7-97000110.7M1 E8 V9 Y10M1-Y3 WeakPolarHBondContact CE-OH 3.42Å; Y3-E8 CarbonylContact C-O 3.54Å; Y3-E8 VanDerWaalsContact CA-O 3.23Å; Y3-E8 WeakPolarHBondContact CA-O 3.47Å; Y3-V9 HydrophobicContact CD1-CG2 3.93Å; Y3-V9 HydrophobicContact CE1-CG2 3.51Å; Y3-Y10 WeakPolarHBondContact O-CE1 3.49Å
4T72.5Confident67.8Low33 Ų3384.2 Ų84.220%0.20243%0.428CS..  trans-73.5169.5169.267.50000111N6 G7 E8 Y10 W21T4-N6 PolarHBondContact O-N 3.25Å; T4-N6 PolarHBondContact OG1-N 2.67Å; T4-G7 PolarHBondContact O-N 3.04Å; T4-G7 PolarHBondContact OG1-N 2.97Å; T4-E8 WeakPolarHBondContact CB-OE2 3.47Å; T4-E8 HydrophobicContact CG2-CB 3.95Å; T4-E8 PolarHBondContact N-O 2.87Å; T4-E8 WeakPolarHBondContact OG1-CB 3.33Å; T4-E8 PolarHBondContact OG1-N 3.09Å; T4-E8 PolarHBondContact OG1-OE2 3.27Å; T4-Y10 HydrophobicContact CG2-CD1 4.25Å; T4-Y10 HydrophobicContact CG2-CE1 4.47Å; T4-W21 HydrophobicContact CG2-CH2 3.52Å; T4-W21 HydrophobicContact CG2-CZ3 3.65Å
5E54.6Low66.7Low208 Ų20888.6 Ų88.697%0.97245%0.453SS*.THydrogen-bonded Turntrans-63.7-18.3171.5-61.1-176164.900112.5
6N61.9Low66.4Low139 Ų13988.4 Ų88.474%0.74346%0.458SS*.THydrogen-bonded Turntrans-87.6-5.8171.7-50-36000113.3T4 E8T4-N6 PolarHBondContact O-N 3.25Å; T4-N6 PolarHBondContact OG1-N 2.67Å; N6-E8 HydrophobicContact CB-CG 4.36Å; N6-E8 WeakPolarHBondContact CB-OE2 3.17Å; N6-E8 PolarHBondContact ND2-OE2 2.7Å; N6-E8 VanDerWaalsContact ND2-OE2 3.1Å
7G57.2Low66.3Low48 Ų4892.6 Ų92.650%0.49547%0.472SS..  trans91.38.7-178.100000116T4T4-G7 PolarHBondContact O-N 3.04Å; T4-G7 PolarHBondContact OG1-N 2.97Å
8E62.1Low65.3Low98 Ų9892.1 Ų92.146%0.45847%0.474SS..  trans-79.5136.9-177.4-55.9149.311600111.3Y3 T4 N6 W21Y3-E8 CarbonylContact C-O 3.54Å; Y3-E8 VanDerWaalsContact CA-O 3.23Å; Y3-E8 WeakPolarHBondContact CA-O 3.47Å; T4-E8 WeakPolarHBondContact CB-OE2 3.47Å; T4-E8 HydrophobicContact CG2-CB 3.95Å; T4-E8 PolarHBondContact N-O 2.87Å; T4-E8 WeakPolarHBondContact OG1-CB 3.33Å; T4-E8 PolarHBondContact OG1-N 3.09Å; T4-E8 PolarHBondContact OG1-OE2 3.27Å; N6-E8 HydrophobicContact CB-CG 4.36Å; N6-E8 WeakPolarHBondContact CB-OE2 3.17Å; N6-E8 PolarHBondContact ND2-OE2 2.7Å; N6-E8 VanDerWaalsContact ND2-OE2 3.1Å; E8-W21 HydrophobicContact CB-CZ3 4.37Å
9V71.3Confident65.4Low55 Ų5592.3 Ų92.333%0.33348%0.48SS..EExtended strand (participates in β ladder)trans-76.2133.4-177.8175.20000111.6M1 Y3 F11M1-V9 HydrophobicContact CE-CB 4.43Å; M1-V9 HydrophobicContact CE-CG1 3.62Å; M1-V9 HydrophobicContact CE-CG2 3.83Å; M1-V9 HydrophobicContact CG-CG1 3.94Å; Y3-V9 HydrophobicContact CD1-CG2 3.93Å; Y3-V9 HydrophobicContact CE1-CG2 3.51Å; V9-F11 HydrophobicContact CG1-CD2 4.32Å; V9-F11 HydrophobicContact CG1-CE2 3.59Å; V9-F11 HydrophobicContact CG1-CZ 3.69Å
10Y76.1Confident65.3Low62 Ų6289.6 Ų89.624%0.24347%0.469CS..EExtended strand (participates in β ladder)trans-134.4164.6160.869.3-84.4000112.5M1 A2 Y3 T4 I12 T19 W21M1-Y10 CarbonylContact C-O 3.58Å; M1-Y10 WeakPolarHBondContact CA-O 3.48Å; A2-Y10 HydrophobicContact CB-CD1 4.33Å; A2-Y10 HydrophobicContact CB-CD2 4.3Å; A2-Y10 HydrophobicContact CB-CE1 3.83Å; A2-Y10 HydrophobicContact CB-CE2 3.8Å; A2-Y10 PolarHBondContact N-O 3.06Å; A2-Y10 PolarHBondContact O-N 2.92Å; A2-Y10 VanDerWaalsContact O-O 3.13Å; Y3-Y10 WeakPolarHBondContact O-CE1 3.49Å; T4-Y10 HydrophobicContact CG2-CD1 4.25Å; T4-Y10 HydrophobicContact CG2-CE1 4.47Å; Y10-I12 HydrophobicContact CD2-CG1 4.02Å; Y10-I12 HydrophobicContact CE2-CD1 3.81Å; Y10-I12 HydrophobicContact CE2-CG1 3.76Å; Y10-T19 HydrophobicContact CD2-CG2 4.24Å; Y10-T19 HydrophobicContact CE2-CG2 4.12Å; Y10-W21 HydrophobicContact CD1-CZ3 4.31Å; Y10-W21 HydrophobicContact CG-CZ3 4.47Å
11F79.8Confident65.5Low24 Ų2493.4 Ų93.411%0.10548%0.477CS..EExtended strand (participates in β ladder)trans-116.3150.1-177.5-59.6-93.1000110M1 V9 T19 S20 D23 P24M1-F11 HydrophobicContact CB-CD1 4.03Å; M1-F11 HydrophobicContact CB-CE1 4.03Å; M1-F11 HydrophobicContact CG-CD1 4.23Å; M1-F11 HydrophobicContact CG-CE1 3.84Å; M1-F11 HydrophobicContact CG-CZ 4.32Å; M1-F11 HydrophobicContact SD-CE1 4.19Å; V9-F11 HydrophobicContact CG1-CD2 4.32Å; V9-F11 HydrophobicContact CG1-CE2 3.59Å; V9-F11 HydrophobicContact CG1-CZ 3.69Å; F11-T19 CarbonylContact O-C 3.6Å; F11-T19 VanDerWaalsContact O-CA 3.3Å; F11-T19 WeakPolarHBondContact O-CA 3.46Å; F11-S20 WeakPolarHBondContact CA-O 3.37Å; F11-S20 PolarHBondContact N-O 2.82Å; F11-S20 PolarHBondContact O-N 3.47Å; F11-D23 HydrophobicContact CD1-CB 4.35Å; F11-D23 HydrophobicContact CD2-CB 4.2Å; F11-D23 HydrophobicContact CE1-CB 3.91Å; F11-D23 VanDerWaalsContact CE1-CG 3.44Å; F11-D23 VanDerWaalsContact CE1-OD2 3.26Å; F11-D23 WeakPolarHBondContact CE1-OD2 3.26Å; F11-D23 HydrophobicContact CE2-CB 3.75Å; F11-D23 HydrophobicContact CG-CB 4.49Å; F11-D23 HydrophobicContact CZ-CB 3.59Å; F11-D23 WeakPolarHBondContact CZ-OD2 3.36Å; F11-P24 HydrophobicContact CB-CG 4.1Å
12I72Confident64.9Low55 Ų5593.5 Ų93.528%0.28248%0.48SS..EExtended strand (participates in β ladder)trans-128.6118.3-176.3-48.3-176.5000106.3A2 Y10 H14 T19A2-I12 HydrophobicContact CB-CD1 4Å; A2-I12 HydrophobicContact CB-CG1 4.46Å; Y10-I12 HydrophobicContact CD2-CG1 4.02Å; Y10-I12 HydrophobicContact CE2-CD1 3.81Å; Y10-I12 HydrophobicContact CE2-CG1 3.76Å; I12-H14 PolarHBondContact O-CD2 2.96Å; I12-H14 VanDerWaalsContact O-CD2 3.22Å; I12-H14 PolarHBondContact O-N 2.9Å; I12-T19 HydrophobicContact CG1-CG2 4.25Å; I12-T19 HydrophobicContact CG2-CG2 4.45Å
13D64.6Low64.4Low51 Ų5193.8 Ų93.827%0.27348%0.478SS..  trans-82.1112.7168.3-174.1-46.8000108.3N15 T16 K17 T18D13-N15 VanDerWaalsContact C-N 3.26Å; D13-N15 PolarHBondContact O-N 3.12Å; D13-N15 WeakPolarHBondContact OD1-CA 3.31Å; D13-N15 VanDerWaalsContact OD1-CB 3.31Å; D13-N15 WeakPolarHBondContact OD1-CB 3.4Å; D13-N15 PolarHBondContact OD1-N 3.09Å; D13-T16 VanDerWaalsContact CB-OG1 3.24Å; D13-T16 WeakPolarHBondContact CB-OG1 3.38Å; D13-T16 PolarHBondContact OD1-N 2.96Å; D13-T16 PolarHBondContact OD1-OG1 2.83Å; D13-K17 WeakPolarHBondContact O-CA 3.3Å; D13-K17 PolarHBondContact O-N 2.94Å; D13-T18 PolarHBondContact N-O 3.27Å
14H54.3Low63.3Low125 Ų12589.9 Ų89.958%0.57947%0.47SS*.THydrogen-bonded Turntrans-78.7-6.6-176.7-68.6-94.7000113.5I12 K17I12-H14 PolarHBondContact O-CD2 2.96Å; I12-H14 VanDerWaalsContact O-CD2 3.22Å; I12-H14 PolarHBondContact O-N 2.9Å; H14-K17 WeakPolarHBondContact O-CE 3.44Å; H14-K17 PolarHBondContact O-NZ 2.78Å
15N51.2Low62.5Low150 Ų15097.2 Ų97.280%0.80249%0.494SS*.THydrogen-bonded Turntrans-95-51.3176.6-56.7-47.5000111.1D13D13-N15 VanDerWaalsContact C-N 3.26Å; D13-N15 PolarHBondContact O-N 3.12Å; D13-N15 WeakPolarHBondContact OD1-CA 3.31Å; D13-N15 VanDerWaalsContact OD1-CB 3.31Å; D13-N15 WeakPolarHBondContact OD1-CB 3.4Å; D13-N15 PolarHBondContact OD1-N 3.09Å
16T62Low62.4Low85 Ų8591.3 Ų91.352%0.52148%0.475SS..THydrogen-bonded Turntrans-81.4-17.7178.4640000113.1D13 T18D13-T16 VanDerWaalsContact CB-OG1 3.24Å; D13-T16 WeakPolarHBondContact CB-OG1 3.38Å; D13-T16 PolarHBondContact OD1-N 2.96Å; D13-T16 PolarHBondContact OD1-OG1 2.83Å; T16-T18 VanDerWaalsContact C-N 3.26Å; T16-T18 PolarHBondContact O-N 2.78Å; T16-T18 PolarHBondContact OG1-N 3.21Å; T16-T18 PolarHBondContact OG1-OG1 3.03Å
17K63.5Low61.9Low161 Ų16190.6 Ų90.670%0.747%0.47SS*.  trans64.522.6-172.4-47.4-56.1-175.2-173.10114.3D13 H14D13-K17 WeakPolarHBondContact O-CA 3.3Å; D13-K17 PolarHBondContact O-N 2.94Å; H14-K17 WeakPolarHBondContact O-CE 3.44Å; H14-K17 PolarHBondContact O-NZ 2.78Å
18T49.7Very low61.3Low82 Ų8295.5 Ų95.550%0.50349%0.485SS..  trans-95.5140.2176.656.20000112.1D13 T16D13-T18 PolarHBondContact N-O 3.27Å; T16-T18 VanDerWaalsContact C-N 3.26Å; T16-T18 PolarHBondContact O-N 2.78Å; T16-T18 PolarHBondContact OG1-N 3.21Å; T16-T18 PolarHBondContact OG1-OG1 3.03Å
19T66.3Low60.3Low97 Ų9799 Ų9960%0.59550%0.499SS*.EExtended strand (participates in β ladder)trans-94.5141.317051.50000111Y10 F11 I12Y10-T19 HydrophobicContact CD2-CG2 4.24Å; Y10-T19 HydrophobicContact CE2-CG2 4.12Å; F11-T19 CarbonylContact O-C 3.6Å; F11-T19 VanDerWaalsContact O-CA 3.3Å; F11-T19 WeakPolarHBondContact O-CA 3.46Å; I12-T19 HydrophobicContact CG1-CG2 4.25Å; I12-T19 HydrophobicContact CG2-CG2 4.45Å
20S64Low58.7Low37 Ų37105.4 Ų105.426%0.25953%0.525SS..EExtended strand (participates in β ladder)trans-138136.2-179172.70000110.3F11 L22F11-S20 WeakPolarHBondContact CA-O 3.37Å; F11-S20 PolarHBondContact N-O 2.82Å; F11-S20 PolarHBondContact O-N 3.47Å; S20-L22 VanDerWaalsContact C-N 3.29Å; S20-L22 WeakPolarHBondContact CB-O 3.06Å; S20-L22 PolarHBondContact OG-N 3.19Å; S20-L22 VanDerWaalsContact OG-N 3.09Å; S20-L22 PolarHBondContact OG-O 3.09Å
21W68.5Low56.9Low170 Ų170110.6 Ų110.664%0.64455%0.552SS**SBendtrans-74.7-23.8170.8-57.2100.9000112.1T4 E8 Y10T4-W21 HydrophobicContact CG2-CH2 3.52Å; T4-W21 HydrophobicContact CG2-CZ3 3.65Å; E8-W21 HydrophobicContact CB-CZ3 4.37Å; Y10-W21 HydrophobicContact CD1-CZ3 4.31Å; Y10-W21 HydrophobicContact CG-CZ3 4.47Å
22L55.6Low55.2Low122 Ų122115.8 Ų115.864%0.63957%0.574SS**SBendtrans-86.3138.6174.5-56.9174.7000110.9S20 P24S20-L22 VanDerWaalsContact C-N 3.29Å; S20-L22 WeakPolarHBondContact CB-O 3.06Å; S20-L22 PolarHBondContact OG-N 3.19Å; S20-L22 VanDerWaalsContact OG-N 3.09Å; S20-L22 PolarHBondContact OG-O 3.09Å; L22-P24 WeakPolarHBondContact O-CD 3.43Å
23D65.7Low54Low27 Ų27116.6 Ų116.614%0.14458%0.583CS.*  trans-67.2121.6177.7-167.9-35.2000111.3F11 R25 C26F11-D23 HydrophobicContact CD1-CB 4.35Å; F11-D23 HydrophobicContact CD2-CB 4.2Å; F11-D23 HydrophobicContact CE1-CB 3.91Å; F11-D23 VanDerWaalsContact CE1-CG 3.44Å; F11-D23 VanDerWaalsContact CE1-OD2 3.26Å; F11-D23 WeakPolarHBondContact CE1-OD2 3.26Å; F11-D23 HydrophobicContact CE2-CB 3.75Å; F11-D23 HydrophobicContact CG-CB 4.49Å; F11-D23 HydrophobicContact CZ-CB 3.59Å; F11-D23 WeakPolarHBondContact CZ-OD2 3.36Å; D23-R25 PolarHBondContact O-N 2.86Å; D23-R25 VanDerWaalsContact OD1-CB 3.23Å; D23-R25 WeakPolarHBondContact OD1-CB 3.46Å; D23-R25 VanDerWaalsContact OD1-CG 3.28Å; D23-R25 WeakPolarHBondContact OD1-CG 3.32Å; D23-R25 IonicContact OD1-CZ 2.87Å; D23-R25 PolarHBondContact OD1-N 2.89Å; D23-R25 IonicContact OD1-NE 3.58Å; D23-R25 PolarHBondContact OD1-NE 3.18Å; D23-R25 IonicContact OD2-CZ 3.04Å; D23-R25 VanDerWaalsContact OD2-CZ 3.22Å; D23-R25 IonicContact OD2-NE 2.65Å; D23-R25 PolarHBondContact OD2-NE 3.01Å; D23-R25 IonicContact OD2-NH2 2.79Å; D23-R25 PolarHBondContact OD2-NH2 3.44Å; D23-C26 WeakPolarHBondContact O-CB 3.33Å; D23-C26 PolarHBondContact O-N 2.91Å
24P57.3Low53.2Low58 Ų58119 Ų11938%0.37760%0.596SS.*THydrogen-bonded Turntrans-53.8-24.9176.4-28.236.4000114.5F11 L22 C26F11-P24 HydrophobicContact CB-CG 4.1Å; L22-P24 WeakPolarHBondContact O-CD 3.43Å; P24-C26 VanDerWaalsContact C-N 3.3Å; P24-C26 PolarHBondContact O-N 2.97Å
25R54.9Low53Low187 Ų187117 Ų11771%0.70659%0.586SS**THydrogen-bonded Turntrans-72-22.4178.3-59.7175.1-69.3176.62.3112.8D23D23-R25 PolarHBondContact O-N 2.86Å; D23-R25 VanDerWaalsContact OD1-CB 3.23Å; D23-R25 WeakPolarHBondContact OD1-CB 3.46Å; D23-R25 VanDerWaalsContact OD1-CG 3.28Å; D23-R25 WeakPolarHBondContact OD1-CG 3.32Å; D23-R25 IonicContact OD1-CZ 2.87Å; D23-R25 PolarHBondContact OD1-N 2.89Å; D23-R25 IonicContact OD1-NE 3.58Å; D23-R25 PolarHBondContact OD1-NE 3.18Å; D23-R25 IonicContact OD2-CZ 3.04Å; D23-R25 VanDerWaalsContact OD2-CZ 3.22Å; D23-R25 IonicContact OD2-NE 2.65Å; D23-R25 PolarHBondContact OD2-NE 3.01Å; D23-R25 IonicContact OD2-NH2 2.79Å; D23-R25 PolarHBondContact OD2-NH2 3.44Å
26C53.2Low52.7Low84 Ų84114.7 Ų114.757%0.56857%0.571SS**THydrogen-bonded Turntrans-84.3-27.7177.8-65.40000112.6D23 P24 N28 K29D23-C26 WeakPolarHBondContact O-CB 3.33Å; D23-C26 PolarHBondContact O-N 2.91Å; P24-C26 VanDerWaalsContact C-N 3.3Å; P24-C26 PolarHBondContact O-N 2.97Å; C26-N28 PolarHBondContact O-N 2.89Å; C26-N28 VanDerWaalsContact O-N 3.12Å; C26-K29 PolarHBondContact O-N 3.44Å
27L50.6Low51.6Low125 Ų125114 Ų11465%0.65457%0.569SS**THydrogen-bonded Turntrans-65.5-11.4-178.8-84.5130.6000115.1
28N45.3Very low50.9Low150 Ų150112.2 Ų112.280%0.80256%0.563SS**THydrogen-bonded Turntrans-113.416-176.9-153.494.9000113.9C26C26-N28 PolarHBondContact O-N 2.89Å; C26-N28 VanDerWaalsContact O-N 3.12Å
29K41.3Very low50.6Low172 Ų172115.2 Ų115.275%0.74858%0.576SS**SBendtrans-78.6135.5162.8-72.7-174.5177.3-178.80109C26 Q31C26-K29 PolarHBondContact O-N 3.44Å; K29-Q31 PolarHBondContact O-N 2.87Å
30Q37.4Very low49.1Very low190 Ų190118.4 Ų118.489%0.88859%0.589SS**  trans-63133.2169.4-75.2179.1-45.800109.5K32Q30-K32 PolarHBondContact O-N 2.83Å
31Q37.8Very low48.1Very low170 Ų170126 Ų12679%0.79462%0.621SS**  trans-68.7115.7170.9-71.8177.3-34.500109K29K29-Q31 PolarHBondContact O-N 2.87Å
32K44.2Very low46.4Very low134 Ų134121 Ų12158%0.58362%0.622SS**  trans-62.6153.2157.3-93-175.2154.1-164.50109.3Q30 E36Q30-K32 PolarHBondContact O-N 2.83Å; K32-E36 HydrophobicContact CD-CB 4.06Å; K32-E36 WeakPolarHBondContact CE-OE2 3.35Å; K32-E36 PolarHBondContact NZ-O 3Å; K32-E36 VanDerWaalsContact NZ-O 3.16Å; K32-E36 IonicContact NZ-OE2 3.53Å
33P45.9Very low45.6Very low72 Ų72120.9 Ų120.947%0.46863%0.626SS.*  trans-55.9149.3167-21.433.4000111.1E35 E36P33-E35 PolarHBondContact O-N 3.48Å; P33-E36 PolarHBondContact O-N 2.58Å
34L47.8Very low43.9Very low102 Ų102127.5 Ų127.553%0.53466%0.655SS.*THydrogen-bonded Turntrans-60.11.1179.1-67.9169.3000114.9P55L34-P55 HydrophobicContact CD2-CB 3.76Å; L34-P55 HydrophobicContact CD2-CG 3.43Å; L34-P55 VanDerWaalsContact CD2-CG 3.43Å
35E50.2Low42.9Very low82 Ų82129.6 Ų129.638%0.38367%0.667SS.*THydrogen-bonded Turntrans-120.54.8-170.5-41.6-177.1148.900113.3P33 K91P33-E35 PolarHBondContact O-N 3.48Å; E35-K91 HydrophobicContact CB-CD 3.89Å; E35-K91 HydrophobicContact CG-CD 4.09Å; E35-K91 WeakPolarHBondContact OE2-CD 3.42Å; E35-K91 VanDerWaalsContact OE2-CE 3.23Å; E35-K91 WeakPolarHBondContact OE2-CE 3.35Å; E35-K91 IonicContact OE2-NZ 3.37Å; E35-K91 PolarHBondContact OE2-NZ 3.35Å
36E45.3Very low42.3Very low101 Ų101129.1 Ų129.147%0.47267%0.673SS.*  trans-115.819.5177.2-65.6-169.6169.600112.6K32 P33 E38K32-E36 HydrophobicContact CD-CB 4.06Å; K32-E36 WeakPolarHBondContact CE-OE2 3.35Å; K32-E36 PolarHBondContact NZ-O 3Å; K32-E36 VanDerWaalsContact NZ-O 3.16Å; K32-E36 IonicContact NZ-OE2 3.53Å; P33-E36 PolarHBondContact O-N 2.58Å; E36-E38 PolarHBondContact O-N 2.85Å
37C39.8Very low41.4Very low72 Ų72134.7 Ų134.749%0.48669%0.691SS.*  trans-89.879.7171.8-61.70000109.4K88C37-K88 PolarHBondContact O-NZ 3.11Å
38E49.3Very low40.9Very low123 Ų123136.5 Ų136.558%0.57570%0.7SS**  trans-149142174.3-111.4152.3-159.600110.4E36 K88E36-E38 PolarHBondContact O-N 2.85Å; E38-K88 VanDerWaalsContact CD-NZ 3.29Å; E38-K88 IonicContact OE1-NZ 3.04Å; E38-K88 PolarHBondContact OE1-NZ 3.23Å
39D41.6Very low40.4Very low145 Ų145136.4 Ų136.478%0.77570%0.7SS**  trans58.6111.2153-45.2-22.2000121.1
40D34.5Very low40.3Very low164 Ų164133.7 Ų133.788%0.87770%0.703SS**  trans-134.294.4149.9-164.336.8000108.2G42D40-G42 PolarHBondContact O-N 2.83Å
41E45Very low40.7Very low196 Ų196130.8 Ų130.892%0.91669%0.689SS**  trans-7294.5-179.1-76.7-157.3125.400111.2
42G32.2Very low41.5Very low65 Ų65126 Ų12667%0.6767%0.669SS**  trans-113.66.5-168.100000118.1D40D40-G42 PolarHBondContact O-N 2.83Å
43V38.4Very low42.1Very low119 Ų119128.4 Ų128.472%0.72168%0.682SS**  trans5598.9172.4-1680000116.7
44H29.8Very low43.2Very low166 Ų166127.1 Ų127.177%0.76967%0.671SS**  -176.7117.8118.3-105.2-71.2000114.5
45T36.4Very low44.1Very low102 Ų102123.8 Ų123.863%0.62666%0.655SS**  trans44.9106.1146.4520000121
46E42Very low44.4Very low177 Ų177123.6 Ų123.683%0.82767%0.668SS**  6391.5126.8-63167-103.400119.4
47E34Very low45.4Very low201 Ų201120 Ų12094%0.93966%0.658SS**  -164.3-178.593.7-102.3-170.1169.600111.5D49E47-D49 PolarHBondContact O-N 2.85Å
48L40.7Very low47.2Very low163 Ų163119 Ų11985%0.85364%0.644SS**  trans-99.678.6-156-168.981.5000114.7
49D35Very low48.7Very low149 Ų149117.5 Ų117.580%0.79764%0.637SS**  trans-137.9101.2164.4-110.8-38.5000111.6E47 E51E47-D49 PolarHBondContact O-N 2.85Å; D49-E51 PolarHBondContact O-N 2.9Å
50S38.5Very low50.7Low115 Ų115113.3 Ų113.380%0.80461%0.612SS**  trans-96.463.3-177.2-57.10000112.3L52S50-L52 PolarHBondContact O-N 2.9Å
51E46.2Very low52.9Low128 Ų128107.9 Ų107.960%0.59858%0.582SS**  trans-70.6106.6168.4-64-145.3113.100111D49 E53 K60D49-E51 PolarHBondContact O-N 2.9Å; E51-E53 PolarHBondContact O-N 2.87Å; E51-K60 WeakPolarHBondContact OE1-CD 3.34Å; E51-K60 VanDerWaalsContact OE1-CE 3.27Å; E51-K60 WeakPolarHBondContact OE1-CE 3.46Å; E51-K60 IonicContact OE1-NZ 3.8Å; E51-K60 PolarHBondContact OE1-NZ 3.34Å
52L54.8Low54.4Low71 Ų71104.4 Ų104.437%0.37257%0.566SS.*PPolyproline II helixtrans-68.2122.6166.3-69169.8000109.1S50 L54 V84 L85S50-L52 PolarHBondContact O-N 2.9Å; L52-L54 PolarHBondContact O-N 3.46Å; L52-V84 HydrophobicContact CD1-CG1 4.05Å; L52-L85 HydrophobicContact CD1-CD2 3.87Å
53E57.7Low56.6Low184 Ų184103.4 Ų103.486%0.8655%0.545SS*.PPolyproline II helixtrans-49.2126.6177.1-82.4-162.2139.200111.1E51E51-E53 PolarHBondContact O-N 2.87Å
54L68.9Low57.7Low45 Ų45104.3 Ų104.324%0.23655%0.554CS.*PPolyproline II helixtrans-75.5144.9-179.9-72.1176.5000111.6L52 W58 K60 Y70 P83 V84L52-L54 PolarHBondContact O-N 3.46Å; L54-W58 HydrophobicContact CB-CB 4.01Å; L54-W58 HydrophobicContact CD1-CB 4.47Å; L54-K60 HydrophobicContact CD1-CB 3.82Å; L54-K60 VanDerWaalsContact CD1-N 3.34Å; L54-Y70 HydrophobicContact CD1-CD1 3.77Å; L54-Y70 HydrophobicContact CD1-CE1 4.1Å; L54-Y70 HydrophobicContact CD2-CD1 3.84Å; L54-Y70 HydrophobicContact CD2-CE1 3.96Å; L54-Y70 HydrophobicContact CG-CD1 4.45Å; L54-P83 HydrophobicContact CD2-CG 3.96Å; L54-V84 HydrophobicContact CD2-CG2 4.41Å
55P65.6Low58.9Low32 Ų32101.9 Ų101.921%0.20855%0.55CS.*PPolyproline II helixtrans-60.6148.3178.2-21.833.1000112.3L34 G57 W58 V84L34-P55 HydrophobicContact CD2-CB 3.76Å; L34-P55 HydrophobicContact CD2-CG 3.43Å; L34-P55 VanDerWaalsContact CD2-CG 3.43Å; P55-G57 PolarHBondContact O-N 3.16Å; P55-G57 VanDerWaalsContact O-N 3.12Å; P55-W58 WeakPolarHBondContact O-CB 3.43Å; P55-W58 PolarHBondContact O-N 3.36Å; P55-V84 HydrophobicContact CG-CG2 4.26Å
56A57.2Low59.7Low78 Ų78101.6 Ų101.665%0.64554%0.538SS*.THydrogen-bonded Turntrans-52.9120.3-179.800000112.2I74A56-I74 WeakPolarHBondContact O-CD1 3.22Å
57G65.9Low61.2Low26 Ų2694.9 Ų94.927%0.26852%0.516SS..THydrogen-bonded Turntrans103.8-10.5-173.600000114.7P55 H73P55-G57 PolarHBondContact O-N 3.16Å; P55-G57 VanDerWaalsContact O-N 3.12Å; G57-H73 PolarHBondContact O-N 2.82Å
58W77.6Confident63.5Low50 Ų5088.9 Ų88.919%0.18949%0.49CS..EExtended strand (participates in β ladder)trans-99.4138173.6-72.279.3000112.1L54 P55 V71 D72 Q79 P83L54-W58 HydrophobicContact CB-CB 4.01Å; L54-W58 HydrophobicContact CD1-CB 4.47Å; P55-W58 WeakPolarHBondContact O-CB 3.43Å; P55-W58 PolarHBondContact O-N 3.36Å; W58-V71 CarbonylContact C-O 3.54Å; W58-V71 VanDerWaalsContact CA-O 3.26Å; W58-V71 WeakPolarHBondContact CA-O 3.5Å; W58-D72 HydrophobicContact CD2-CB 3.87Å; W58-D72 HydrophobicContact CE3-CB 4.03Å; W58-D72 HydrophobicContact CH2-CB 3.91Å; W58-D72 HydrophobicContact CZ2-CB 3.68Å; W58-D72 WeakPolarHBondContact CZ2-OD2 3.37Å; W58-D72 HydrophobicContact CZ3-CB 4.06Å; W58-D72 PolarHBondContact NE1-OD2 3.25Å; W58-Q79 HydrophobicContact CH2-CG 4.11Å; W58-Q79 HydrophobicContact CZ3-CG 3.85Å; W58-P83 HydrophobicContact CD2-CB 4.25Å; W58-P83 HydrophobicContact CD2-CG 3.81Å; W58-P83 HydrophobicContact CE3-CB 4.19Å; W58-P83 HydrophobicContact CE3-CG 3.66Å; W58-P83 HydrophobicContact CG-CG 4.38Å; W58-P83 HydrophobicContact CH2-CB 3.88Å; W58-P83 HydrophobicContact CH2-CG 4.27Å; W58-P83 HydrophobicContact CZ2-CB 3.98Å; W58-P83 HydrophobicContact CZ2-CG 4.44Å; W58-P83 HydrophobicContact CZ3-CB 4Å; W58-P83 HydrophobicContact CZ3-CG 3.89Å
59E80.1Confident65.3Low91 Ų9183.7 Ų83.743%0.42546%0.46SS..EExtended strand (participates in β ladder)trans-125.1139.1178.1179.9175.3-140.200110.1I61 Y70 V71 H73E59-I61 HydrophobicContact CG-CG1 4.1Å; E59-Y70 CarbonylContact O-C 3.48Å; E59-Y70 VanDerWaalsContact O-CA 3.31Å; E59-Y70 WeakPolarHBondContact O-CA 3.28Å; E59-V71 PolarHBondContact N-O 3.06Å; E59-V71 PolarHBondContact O-N 3.44Å; E59-H73 IonicContact OE2-CD2 2.73Å; E59-H73 IonicContact OE2-CE1 3.98Å; E59-H73 PolarHBondContact OE2-CE1 2.83Å; E59-H73 IonicContact OE2-NE2 3.16Å; E59-H73 PolarHBondContact OE2-NE2 3.14Å
60K83.8Confident67.7Low58 Ų5877.9 Ų77.925%0.25243%0.427SS..EExtended strand (participates in β ladder)trans-90129167.1-174.4-170.3175.9-158.40107.8E51 L54 E62 I68 Y70E51-K60 WeakPolarHBondContact OE1-CD 3.34Å; E51-K60 VanDerWaalsContact OE1-CE 3.27Å; E51-K60 WeakPolarHBondContact OE1-CE 3.46Å; E51-K60 IonicContact OE1-NZ 3.8Å; E51-K60 PolarHBondContact OE1-NZ 3.34Å; L54-K60 HydrophobicContact CD1-CB 3.82Å; L54-K60 VanDerWaalsContact CD1-N 3.34Å; K60-E62 HydrophobicContact CD-CG 4.43Å; K60-E62 WeakPolarHBondContact CE-OE1 3.39Å; K60-E62 IonicContact NZ-OE1 2.76Å; K60-E62 PolarHBondContact NZ-OE1 3.09Å; K60-I68 HydrophobicContact CD-CG2 4.26Å; K60-I68 HydrophobicContact CG-CG2 3.88Å; K60-Y70 HydrophobicContact CB-CD1 4.34Å; K60-Y70 HydrophobicContact CB-CE1 4.18Å; K60-Y70 HydrophobicContact CG-CD1 4.48Å; K60-Y70 HydrophobicContact CG-CE1 4Å
61I81.4Confident69.5Low49 Ų4973.3 Ų73.325%0.25139%0.394SS..EExtended strand (participates in β ladder)trans-116.7124.9172.3-56.1-174.4000108.2E59 I68 Y69 V71E59-I61 HydrophobicContact CG-CG1 4.1Å; I61-I68 WeakPolarHBondContact O-CA 3.42Å; I61-Y69 HydrophobicContact CB-CD1 4.48Å; I61-Y69 HydrophobicContact CB-CD2 4.33Å; I61-Y69 HydrophobicContact CB-CE1 4.09Å; I61-Y69 HydrophobicContact CB-CE2 3.93Å; I61-Y69 HydrophobicContact CD1-CE2 3.94Å; I61-Y69 HydrophobicContact CG1-CE2 4.33Å; I61-Y69 HydrophobicContact CG2-CE1 3.91Å; I61-Y69 HydrophobicContact CG2-CE2 4.29Å; I61-Y69 PolarHBondContact N-O 3.14Å; I61-Y69 PolarHBondContact O-N 3.06Å; I61-V71 HydrophobicContact CD1-CG2 3.61Å; I61-V71 HydrophobicContact CG1-CG2 4.14Å
62E76.4Confident71.1Confident124 Ų12467.6 Ų67.658%0.57937%0.367SS*.EExtended strand (participates in β ladder)trans-101.4103.7172.2-55.5-150.1134.300109.3K60 I68K60-E62 HydrophobicContact CD-CG 4.43Å; K60-E62 WeakPolarHBondContact CE-OE1 3.39Å; K60-E62 IonicContact NZ-OE1 2.76Å; K60-E62 PolarHBondContact NZ-OE1 3.09Å; E62-I68 HydrophobicContact CG-CG1 4.13Å; E62-I68 VanDerWaalsContact OE1-CD1 3.31Å; E62-I68 WeakPolarHBondContact OE1-CD1 3.47Å; E62-I68 WeakPolarHBondContact OE1-CG1 3.12Å
63D77.7Confident71.3Confident43 Ų4369.5 Ų69.523%0.2337%0.374CS..EExtended strand (participates in β ladder)trans-101.1125.2179.6-176.1-65.8000110.4V65 Y66 G67 Y69D63-V65 PolarHBondContact O-N 3.5Å; D63-V65 WeakPolarHBondContact OD1-CA 3.36Å; D63-V65 WeakPolarHBondContact OD1-CB 2.98Å; D63-V65 PolarHBondContact OD1-N 3.41Å; D63-Y66 PolarHBondContact O-N 2.89Å; D63-Y66 WeakPolarHBondContact OD1-CD2 3.45Å; D63-Y66 PolarHBondContact OD1-N 3.12Å; D63-G67 PolarHBondContact N-O 3.43Å; D63-G67 WeakPolarHBondContact O-CA 3.35Å; D63-G67 PolarHBondContact O-N 2.8Å; D63-Y69 HydrophobicContact CB-CE1 3.83Å
64P62.9Low71.7Confident138 Ų13866.1 Ų66.190%0.89636%0.361SS*.THydrogen-bonded Turntrans-61.4-12.8-179.1-26.235.4000115.9
65V53.8Low71.4Confident115 Ų11569.8 Ų69.870%0.69738%0.381SS*.THydrogen-bonded Turntrans-109.7-35.8-179.2-175.70000111.5D63D63-V65 PolarHBondContact O-N 3.5Å; D63-V65 WeakPolarHBondContact OD1-CA 3.36Å; D63-V65 WeakPolarHBondContact OD1-CB 2.98Å; D63-V65 PolarHBondContact OD1-N 3.41Å
66Y54.3Low71.5Confident97 Ų9779.4 Ų79.438%0.3841%0.413SS..THydrogen-bonded Turntrans-107.1-7-174.7-59.6-64.4000115D63 I487D63-Y66 PolarHBondContact O-N 2.89Å; D63-Y66 WeakPolarHBondContact OD1-CD2 3.45Å; D63-Y66 PolarHBondContact OD1-N 3.12Å; Y66-I487 HydrophobicContact CD1-CG2 4.29Å; Y66-I487 HydrophobicContact CE1-CG2 3.61Å
67G72.1Confident72.2Confident35 Ų3580.5 Ų80.536%0.36140%0.403SS..EExtended strand (participates in β ladder)trans78.1-162.5-178.100000113.3D63D63-G67 PolarHBondContact N-O 3.43Å; D63-G67 WeakPolarHBondContact O-CA 3.35Å; D63-G67 PolarHBondContact O-N 2.8Å
68I82.6Confident72.8Confident76 Ų7684 Ų8439%0.3942%0.419SS..EExtended strand (participates in β ladder)trans-77.6131.5179.6-58.4173.4000110.1K60 I61 E62 Y70K60-I68 HydrophobicContact CD-CG2 4.26Å; K60-I68 HydrophobicContact CG-CG2 3.88Å; I61-I68 WeakPolarHBondContact O-CA 3.42Å; E62-I68 HydrophobicContact CG-CG1 4.13Å; E62-I68 VanDerWaalsContact OE1-CD1 3.31Å; E62-I68 WeakPolarHBondContact OE1-CD1 3.47Å; E62-I68 WeakPolarHBondContact OE1-CG1 3.12Å; I68-Y70 HydrophobicContact CG2-CE2 4.05Å
69Y78.6Confident72.8Confident54 Ų5482.8 Ų82.821%0.21242%0.416CS..EExtended strand (participates in β ladder)trans-144.8168.6167.762.5-85000112I61 D63 V71I61-Y69 HydrophobicContact CB-CD1 4.48Å; I61-Y69 HydrophobicContact CB-CD2 4.33Å; I61-Y69 HydrophobicContact CB-CE1 4.09Å; I61-Y69 HydrophobicContact CB-CE2 3.93Å; I61-Y69 HydrophobicContact CD1-CE2 3.94Å; I61-Y69 HydrophobicContact CG1-CE2 4.33Å; I61-Y69 HydrophobicContact CG2-CE1 3.91Å; I61-Y69 HydrophobicContact CG2-CE2 4.29Å; I61-Y69 PolarHBondContact N-O 3.14Å; I61-Y69 PolarHBondContact O-N 3.06Å; D63-Y69 HydrophobicContact CB-CE1 3.83Å; Y69-V71 HydrophobicContact CD2-CG2 3.92Å; Y69-V71 HydrophobicContact CE2-CG2 3.8Å
70Y85.7Confident72.8Confident27 Ų2785.6 Ų85.611%0.10642%0.423CS..EExtended strand (participates in β ladder)trans-123.3133.1-171.4-58.3-88.5000110.4L54 E59 K60 I68 T78 Q79 N82L54-Y70 HydrophobicContact CD1-CD1 3.77Å; L54-Y70 HydrophobicContact CD1-CE1 4.1Å; L54-Y70 HydrophobicContact CD2-CD1 3.84Å; L54-Y70 HydrophobicContact CD2-CE1 3.96Å; L54-Y70 HydrophobicContact CG-CD1 4.45Å; E59-Y70 CarbonylContact O-C 3.48Å; E59-Y70 VanDerWaalsContact O-CA 3.31Å; E59-Y70 WeakPolarHBondContact O-CA 3.28Å; K60-Y70 HydrophobicContact CB-CD1 4.34Å; K60-Y70 HydrophobicContact CB-CE1 4.18Å; K60-Y70 HydrophobicContact CG-CD1 4.48Å; K60-Y70 HydrophobicContact CG-CE1 4Å; I68-Y70 HydrophobicContact CG2-CE2 4.05Å; Y70-T78 CarbonylContact O-C 3.49Å; Y70-T78 WeakPolarHBondContact O-CA 3.38Å; Y70-Q79 PolarHBondContact N-O 2.67Å; Y70-Q79 PolarHBondContact O-N 2.95Å; Y70-N82 HydrophobicContact CD2-CB 4.41Å; Y70-N82 HydrophobicContact CE1-CB 4.09Å; Y70-N82 WeakPolarHBondContact CE1-ND2 3.36Å; Y70-N82 HydrophobicContact CE2-CB 3.77Å; Y70-N82 PolarHBondContact OH-ND2 3.01Å
71V76Confident72.5Confident19 Ų1987.1 Ų87.112%0.11543%0.431CS..EExtended strand (participates in β ladder)trans-119.9122.9-175.9-177.30000110.1W58 E59 I61 Y69 T78W58-V71 CarbonylContact C-O 3.54Å; W58-V71 VanDerWaalsContact CA-O 3.26Å; W58-V71 WeakPolarHBondContact CA-O 3.5Å; E59-V71 PolarHBondContact N-O 3.06Å; E59-V71 PolarHBondContact O-N 3.44Å; I61-V71 HydrophobicContact CD1-CG2 3.61Å; I61-V71 HydrophobicContact CG1-CG2 4.14Å; Y69-V71 HydrophobicContact CD2-CG2 3.92Å; Y69-V71 HydrophobicContact CE2-CG2 3.8Å; V71-T78 HydrophobicContact CG1-CG2 4.26Å; V71-T78 HydrophobicContact CG2-CG2 4.08Å
72D79.9Confident72.4Confident8 Ų885.7 Ų85.74%0.04342%0.424CS..EExtended strand (participates in β ladder)trans-93.5105.2170.4-175-27.1000109.1W58 I74 N75 R76 K77W58-D72 HydrophobicContact CD2-CB 3.87Å; W58-D72 HydrophobicContact CE3-CB 4.03Å; W58-D72 HydrophobicContact CH2-CB 3.91Å; W58-D72 HydrophobicContact CZ2-CB 3.68Å; W58-D72 WeakPolarHBondContact CZ2-OD2 3.37Å; W58-D72 HydrophobicContact CZ3-CB 4.06Å; W58-D72 PolarHBondContact NE1-OD2 3.25Å; D72-I74 VanDerWaalsContact C-N 3.32Å; D72-I74 WeakPolarHBondContact OD1-CA 3.35Å; D72-I74 WeakPolarHBondContact OD1-CB 3.33Å; D72-I74 PolarHBondContact OD1-N 2.84Å; D72-N75 PolarHBondContact OD1-N 3.3Å; D72-N75 PolarHBondContact OD1-ND2 2.89Å; D72-N75 WeakPolarHBondContact OD2-CB 3.41Å; D72-N75 PolarHBondContact OD2-ND2 2.79Å; D72-R76 CarbonylContact O-C 3.45Å; D72-R76 WeakPolarHBondContact O-CA 3.34Å; D72-R76 PolarHBondContact O-N 2.9Å; D72-K77 HydrophobicContact CB-CB 4.18Å; D72-K77 PolarHBondContact N-O 3.47Å; D72-K77 PolarHBondContact O-N 2.85Å; D72-K77 VanDerWaalsContact O-N 3.13Å
73H59.1Low72.3Confident111 Ų11180.6 Ų80.651%0.51440%0.402SS..THydrogen-bonded Turntrans-76.3-17.4180-69.2-74.7000113.7G57 E59G57-H73 PolarHBondContact O-N 2.82Å; E59-H73 IonicContact OE2-CD2 2.73Å; E59-H73 IonicContact OE2-CE1 3.98Å; E59-H73 PolarHBondContact OE2-CE1 2.83Å; E59-H73 IonicContact OE2-NE2 3.16Å; E59-H73 PolarHBondContact OE2-NE2 3.14Å
74I66.6Low72.3Confident113 Ų11379 Ų7958%0.57939%0.394SS*.THydrogen-bonded Turntrans-82.3-48.9179.8-61.9175.8000109.6A56 D72A56-I74 WeakPolarHBondContact O-CD1 3.22Å; D72-I74 VanDerWaalsContact C-N 3.32Å; D72-I74 WeakPolarHBondContact OD1-CA 3.35Å; D72-I74 WeakPolarHBondContact OD1-CB 3.33Å; D72-I74 PolarHBondContact OD1-N 2.84Å
75N62.4Low72.8Confident122 Ų12276.5 Ų76.565%0.65237%0.373SS*.THydrogen-bonded Turntrans-95.9-2.4-178.5-58.2-67.7000113.5D72 K77D72-N75 PolarHBondContact OD1-N 3.3Å; D72-N75 PolarHBondContact OD1-ND2 2.89Å; D72-N75 WeakPolarHBondContact OD2-CB 3.41Å; D72-N75 PolarHBondContact OD2-ND2 2.79Å; N75-K77 PolarHBondContact O-N 2.87Å
76R67.9Low74Confident233 Ų23375.1 Ų75.188%0.87936%0.358SS*.THydrogen-bonded Turntrans56.845.1-179.5-56.7-176.4176-158.1-4113.2D72D72-R76 CarbonylContact O-C 3.45Å; D72-R76 WeakPolarHBondContact O-CA 3.34Å; D72-R76 PolarHBondContact O-N 2.9Å
77K71Confident74.9Confident102 Ų10271.8 Ų71.844%0.44335%0.351SS..EExtended strand (participates in β ladder)trans-113.7148.5-179.1-168.9-165.7178.5-162.50110.3D72 N75 Q79D72-K77 HydrophobicContact CB-CB 4.18Å; D72-K77 PolarHBondContact N-O 3.47Å; D72-K77 PolarHBondContact O-N 2.85Å; D72-K77 VanDerWaalsContact O-N 3.13Å; N75-K77 PolarHBondContact O-N 2.87Å; K77-Q79 VanDerWaalsContact CE-OE1 3.31Å
78T78.1Confident75.1Confident99 Ų9972.5 Ų72.561%0.60734%0.344SS*.EExtended strand (participates in β ladder)trans-127.313817258.70000110.4Y70 V71Y70-T78 CarbonylContact O-C 3.49Å; Y70-T78 WeakPolarHBondContact O-CA 3.38Å; V71-T78 HydrophobicContact CG1-CG2 4.26Å; V71-T78 HydrophobicContact CG2-CG2 4.08Å
79Q78.5Confident74.9Confident24 Ų2474.8 Ų74.811%0.11235%0.348CS..EExtended strand (participates in β ladder)trans-148.6150.5176.659-176.366.100112.7W58 Y70 K77 E81 E86W58-Q79 HydrophobicContact CH2-CG 4.11Å; W58-Q79 HydrophobicContact CZ3-CG 3.85Å; Y70-Q79 PolarHBondContact N-O 2.67Å; Y70-Q79 PolarHBondContact O-N 2.95Å; K77-Q79 VanDerWaalsContact CE-OE1 3.31Å; Q79-E81 PolarHBondContact NE2-O 2.67Å; Q79-E86 PolarHBondContact NE2-OE2 3.3Å
80Y79.7Confident74.7Confident150 Ų15078.6 Ų78.659%0.58837%0.365SS*.SBendtrans-83.5-18179.6-67-80.7000113.8
81E76.9Confident74.2Confident90 Ų9080.4 Ų80.442%0.42137%0.374SS..SBendtrans-98.5135.7-178.3-167.8158.9-158.600110.4Q79 R89Q79-E81 PolarHBondContact NE2-O 2.67Å; E81-R89 IonicContact OE1-CZ 3.66Å; E81-R89 IonicContact OE1-NH1 3.2Å; E81-R89 PolarHBondContact OE1-NH1 2.86Å; E81-R89 IonicContact OE1-NH2 3.22Å; E81-R89 PolarHBondContact OE1-NH2 3.1Å; E81-R89 IonicContact OE2-NH1 2.69Å
82N81.1Confident74.2Confident19 Ų1985.9 Ų85.910%0.10240%0.398CS..  trans-64.4125.5-173.9-176.9-52.9000110.4Y70 V84 L85 E86Y70-N82 HydrophobicContact CD2-CB 4.41Å; Y70-N82 HydrophobicContact CE1-CB 4.09Å; Y70-N82 WeakPolarHBondContact CE1-ND2 3.36Å; Y70-N82 HydrophobicContact CE2-CB 3.77Å; Y70-N82 PolarHBondContact OH-ND2 3.01Å; N82-V84 VanDerWaalsContact C-N 3.26Å; N82-V84 PolarHBondContact O-N 3.07Å; N82-V84 WeakPolarHBondContact OD1-CB 3.43Å; N82-V84 PolarHBondContact OD1-N 2.78Å; N82-L85 HydrophobicContact CB-CB 4.23Å; N82-L85 HydrophobicContact CB-CD1 4.02Å; N82-L85 HydrophobicContact CB-CG 4Å; N82-L85 PolarHBondContact O-N 2.77Å; N82-L85 VanDerWaalsContact O-N 3.11Å; N82-E86 PolarHBondContact O-N 2.83Å
83P74.1Confident74Confident17 Ų1790.7 Ų90.711%0.1142%0.423CS..Hα-helixtrans-63.1-29.2-174.627.7-37.9000113.4L54 W58 A87L54-P83 HydrophobicContact CD2-CG 3.96Å; W58-P83 HydrophobicContact CD2-CB 4.25Å; W58-P83 HydrophobicContact CD2-CG 3.81Å; W58-P83 HydrophobicContact CE3-CB 4.19Å; W58-P83 HydrophobicContact CE3-CG 3.66Å; W58-P83 HydrophobicContact CG-CG 4.38Å; W58-P83 HydrophobicContact CH2-CB 3.88Å; W58-P83 HydrophobicContact CH2-CG 4.27Å; W58-P83 HydrophobicContact CZ2-CB 3.98Å; W58-P83 HydrophobicContact CZ2-CG 4.44Å; W58-P83 HydrophobicContact CZ3-CB 4Å; W58-P83 HydrophobicContact CZ3-CG 3.89Å; P83-A87 WeakPolarHBondContact O-CB 3.22Å; P83-A87 PolarHBondContact O-N 3.19Å
84V76.5Confident74.7Confident10 Ų1089.7 Ų89.76%0.06142%0.419CS..Hα-helixtrans-71.7-38.5177.4-172.90000110.5L52 L54 P55 N82 A87 K88L52-V84 HydrophobicContact CD1-CG1 4.05Å; L54-V84 HydrophobicContact CD2-CG2 4.41Å; P55-V84 HydrophobicContact CG-CG2 4.26Å; N82-V84 VanDerWaalsContact C-N 3.26Å; N82-V84 PolarHBondContact O-N 3.07Å; N82-V84 WeakPolarHBondContact OD1-CB 3.43Å; N82-V84 PolarHBondContact OD1-N 2.78Å; V84-A87 PolarHBondContact O-N 3.19Å; V84-K88 WeakPolarHBondContact O-CG 3.24Å; V84-K88 PolarHBondContact O-N 3.17Å
85L74.9Confident75.1Confident86 Ų8689.6 Ų89.645%0.4542%0.416SS..Hα-helixtrans-72.6-36.2176.1-60.6-177.4000112.1L52 N82 R89L52-L85 HydrophobicContact CD1-CD2 3.87Å; N82-L85 HydrophobicContact CB-CB 4.23Å; N82-L85 HydrophobicContact CB-CD1 4.02Å; N82-L85 HydrophobicContact CB-CG 4Å; N82-L85 PolarHBondContact O-N 2.77Å; N82-L85 VanDerWaalsContact O-N 3.11Å; L85-R89 VanDerWaalsContact O-CB 3.27Å; L85-R89 WeakPolarHBondContact O-CB 2.97Å; L85-R89 PolarHBondContact O-N 2.78Å
86E77.6Confident75.6Confident86 Ų8689.8 Ų89.840%0.40241%0.413SS..Hα-helixtrans-60.3-46.6171.4-170.5-178.8178.800110.7Q79 N82 K90Q79-E86 PolarHBondContact NE2-OE2 3.3Å; N82-E86 PolarHBondContact O-N 2.83Å; E86-K90 WeakPolarHBondContact O-CB 3.49Å; E86-K90 PolarHBondContact O-N 2.84Å
87A73.8Confident75.7Confident26 Ų2684.6 Ų84.622%0.21540%0.399CS..Hα-helixtrans-63.4-50.6176.400000112.9P83 V84 R89 K90 K91P83-A87 WeakPolarHBondContact O-CB 3.22Å; P83-A87 PolarHBondContact O-N 3.19Å; V84-A87 PolarHBondContact O-N 3.19Å; A87-R89 VanDerWaalsContact C-N 3.33Å; A87-R89 PolarHBondContact O-N 2.76Å; A87-K90 PolarHBondContact O-N 3.17Å; A87-K90 VanDerWaalsContact O-N 3.14Å; A87-K91 PolarHBondContact O-N 3.43Å
88K75.6Confident75.5Confident51 Ų5185.6 Ų85.622%0.22241%0.405CS..Hα-helixtrans-59.4-41.7178-75.2-169179-172.70111.7C37 E38 V84 K90 K91 Q92C37-K88 PolarHBondContact O-NZ 3.11Å; E38-K88 VanDerWaalsContact CD-NZ 3.29Å; E38-K88 IonicContact OE1-NZ 3.04Å; E38-K88 PolarHBondContact OE1-NZ 3.23Å; V84-K88 WeakPolarHBondContact O-CG 3.24Å; V84-K88 PolarHBondContact O-N 3.17Å; K88-K90 PolarHBondContact O-N 2.92Å; K88-K91 PolarHBondContact O-N 2.78Å; K88-Q92 WeakPolarHBondContact O-CB 3.31Å; K88-Q92 PolarHBondContact O-N 2.61Å
89R78.8Confident74.9Confident124 Ų12487 Ų8747%0.46840%0.404SS..Hα-helixtrans-60.9-43.1174.5-173.5-172-59.21516.5112.1E81 L85 A87 Q92 L93E81-R89 IonicContact OE1-CZ 3.66Å; E81-R89 IonicContact OE1-NH1 3.2Å; E81-R89 PolarHBondContact OE1-NH1 2.86Å; E81-R89 IonicContact OE1-NH2 3.22Å; E81-R89 PolarHBondContact OE1-NH2 3.1Å; E81-R89 IonicContact OE2-NH1 2.69Å; L85-R89 VanDerWaalsContact O-CB 3.27Å; L85-R89 WeakPolarHBondContact O-CB 2.97Å; L85-R89 PolarHBondContact O-N 2.78Å; A87-R89 VanDerWaalsContact C-N 3.33Å; A87-R89 PolarHBondContact O-N 2.76Å; R89-Q92 PolarHBondContact O-N 3.31Å; R89-L93 HydrophobicContact CG-CD1 4.48Å; R89-L93 PolarHBondContact O-N 2.79Å; R89-L93 VanDerWaalsContact O-N 3.1Å
90K74.1Confident74.3Confident133 Ų13391.9 Ų91.958%0.57843%0.427SS*.Hα-helixtrans-64.2-47.4179.5-169.2-171.6172.8-1590111.8E86 A87 K88 Q92 L93 E94E86-K90 WeakPolarHBondContact O-CB 3.49Å; E86-K90 PolarHBondContact O-N 2.84Å; A87-K90 PolarHBondContact O-N 3.17Å; A87-K90 VanDerWaalsContact O-N 3.14Å; K88-K90 PolarHBondContact O-N 2.92Å; K90-Q92 VanDerWaalsContact C-N 3.27Å; K90-Q92 PolarHBondContact O-N 3.28Å; K90-L93 WeakPolarHBondContact O-CB 3.45Å; K90-L93 PolarHBondContact O-N 3.06Å; K90-L93 VanDerWaalsContact O-N 3.14Å; K90-E94 IonicContact NZ-OE1 3.16Å; K90-E94 PolarHBondContact O-N 3.16Å
91K75Confident73.4Confident65 Ų6590.4 Ų90.428%0.28343%0.426SS..Hα-helixtrans-57.9-39.9175.4-176.2177.7-169.6156.60112.1E35 A87 K88 E94 Q95E35-K91 HydrophobicContact CB-CD 3.89Å; E35-K91 HydrophobicContact CG-CD 4.09Å; E35-K91 WeakPolarHBondContact OE2-CD 3.42Å; E35-K91 VanDerWaalsContact OE2-CE 3.23Å; E35-K91 WeakPolarHBondContact OE2-CE 3.35Å; E35-K91 IonicContact OE2-NZ 3.37Å; E35-K91 PolarHBondContact OE2-NZ 3.35Å; A87-K91 PolarHBondContact O-N 3.43Å; K88-K91 PolarHBondContact O-N 2.78Å; K91-E94 PolarHBondContact O-N 3.11Å; K91-Q95 PolarHBondContact O-N 2.97Å
92Q77.2Confident72.7Confident135 Ų13592.1 Ų92.163%0.63143%0.434SS*.Hα-helixtrans-66.3-35.3178.1-165.5172.26900112.4K88 R89 K90 Q96K88-Q92 WeakPolarHBondContact O-CB 3.31Å; K88-Q92 PolarHBondContact O-N 2.61Å; R89-Q92 PolarHBondContact O-N 3.31Å; K90-Q92 VanDerWaalsContact C-N 3.27Å; K90-Q92 PolarHBondContact O-N 3.28Å; Q92-Q96 WeakPolarHBondContact O-CB 3.27Å; Q92-Q96 PolarHBondContact O-N 2.85Å; Q92-Q96 VanDerWaalsContact O-N 3.13Å
93L74.8Confident71.7Confident108 Ų10897.8 Ų97.857%0.56546%0.459SS*.Hα-helixtrans-65.5-43.8169.4-103.680.7000112.4R89 K90 Q96 Q97R89-L93 HydrophobicContact CG-CD1 4.48Å; R89-L93 PolarHBondContact O-N 2.79Å; R89-L93 VanDerWaalsContact O-N 3.1Å; K90-L93 WeakPolarHBondContact O-CB 3.45Å; K90-L93 PolarHBondContact O-N 3.06Å; K90-L93 VanDerWaalsContact O-N 3.14Å; L93-Q96 PolarHBondContact O-N 3.44Å; L93-Q97 WeakPolarHBondContact O-CB 3.31Å; L93-Q97 PolarHBondContact O-N 2.91Å
94E74.9Confident70.9Confident91 Ų91103.4 Ų103.443%0.42548%0.484SS..Hα-helixtrans-65.4-38.7180-75173.2155.100111.7K90 K91 Q97 Q98K90-E94 IonicContact NZ-OE1 3.16Å; K90-E94 PolarHBondContact O-N 3.16Å; K91-E94 PolarHBondContact O-N 3.11Å; E94-Q97 PolarHBondContact O-N 3.48Å; E94-Q98 WeakPolarHBondContact O-CG 3.5Å; E94-Q98 PolarHBondContact O-N 3.21Å
95Q74.3Confident70Confident110 Ų110109.1 Ų109.151%0.51451%0.51SS..Hα-helixtrans-62.2-43.1170.4-78.4-172.2-18.600112.8K91 Q97 Q98 Q99K91-Q95 PolarHBondContact O-N 2.97Å; Q95-Q97 VanDerWaalsContact C-N 3.28Å; Q95-Q97 PolarHBondContact O-N 3.37Å; Q95-Q98 PolarHBondContact O-N 3.42Å; Q95-Q99 PolarHBondContact O-N 2.92Å
96Q72.8Confident69.1Low126 Ų126111.5 Ų111.559%0.58952%0.519SS*.Hα-helixtrans-64.9-34.5178.3-168.3170.3100.100111.8Q92 L93 Q99 Q100Q92-Q96 WeakPolarHBondContact O-CB 3.27Å; Q92-Q96 PolarHBondContact O-N 2.85Å; Q92-Q96 VanDerWaalsContact O-N 3.13Å; L93-Q96 PolarHBondContact O-N 3.44Å; Q96-Q99 PolarHBondContact O-N 3.08Å; Q96-Q100 PolarHBondContact O-N 2.64Å
97Q70.4Confident68.1Low125 Ų125114.3 Ų114.358%0.58453%0.532SS*.Hα-helixtrans-71.1-37.2174.8-161.6170.2110.800112.4L93 E94 Q95 Q100 Q101L93-Q97 WeakPolarHBondContact O-CB 3.31Å; L93-Q97 PolarHBondContact O-N 2.91Å; E94-Q97 PolarHBondContact O-N 3.48Å; Q95-Q97 VanDerWaalsContact C-N 3.28Å; Q95-Q97 PolarHBondContact O-N 3.37Å; Q97-Q100 PolarHBondContact O-N 2.91Å; Q97-Q101 PolarHBondContact O-N 3.09Å
98Q67.4Low67.1Low122 Ų122119.5 Ų119.557%0.5755%0.552SS**Hα-helixtrans-65.9-37.2172.4-74.1-177.52.800112.6E94 Q95 Q100 Q101 Q102E94-Q98 WeakPolarHBondContact O-CG 3.5Å; E94-Q98 PolarHBondContact O-N 3.21Å; Q95-Q98 PolarHBondContact O-N 3.42Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 2.9Å; Q98-Q101 PolarHBondContact O-N 3.03Å; Q98-Q102 PolarHBondContact O-N 3.07Å
99Q65.7Low66Low128 Ų128123 Ų12360%0.59857%0.569SS**Hα-helixtrans-63.3-37.2174.7-75.1-174.9-3.300112.6Q95 Q96 Q102 Q103Q95-Q99 PolarHBondContact O-N 2.92Å; Q96-Q99 PolarHBondContact O-N 3.08Å; Q99-Q102 PolarHBondContact O-N 3.06Å; Q99-Q103 PolarHBondContact O-N 2.92Å
100Q64.1Low64.7Low127 Ų127124.1 Ų124.159%0.59358%0.58SS**Hα-helixtrans-64.2-39.4173.2-73.9-173-700112.5Q96 Q97 Q98 Q103 Q104Q96-Q100 PolarHBondContact O-N 2.64Å; Q97-Q100 PolarHBondContact O-N 2.91Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 2.9Å; Q100-Q103 PolarHBondContact O-N 2.73Å; Q100-Q104 PolarHBondContact O-N 2.99Å; Q100-Q104 VanDerWaalsContact O-N 3.16Å
101Q62.6Low63.5Low119 Ų119125.2 Ų125.256%0.55659%0.587SS**Hα-helixtrans-66.1-38.5175.6-69.8-175.5100112.4Q97 Q98 Q104 Q105Q97-Q101 PolarHBondContact O-N 3.09Å; Q98-Q101 PolarHBondContact O-N 3.03Å; Q101-Q104 PolarHBondContact O-N 3.3Å; Q101-Q105 PolarHBondContact O-N 2.83Å; Q101-Q105 VanDerWaalsContact O-N 3.1Å
102Q61.3Low62.1Low127 Ų127129 Ų12959%0.59361%0.606SS**Hα-helixtrans-67.4-36.5175.9-71.9-174.5-0.400112.8Q98 Q99 Q105 Q106Q98-Q102 PolarHBondContact O-N 3.07Å; Q99-Q102 PolarHBondContact O-N 3.06Å; Q102-Q105 PolarHBondContact O-N 2.82Å; Q102-Q106 PolarHBondContact O-N 2.93Å
103Q59.7Low60.3Low137 Ų137130.7 Ų130.764%0.6461%0.613SS**Hα-helixtrans-65.2-37.4173.3-75-172.5-3.300112.6Q99 Q100 Q106 Q107Q99-Q103 PolarHBondContact O-N 2.92Å; Q100-Q103 PolarHBondContact O-N 2.73Å; Q103-Q106 PolarHBondContact O-N 3.13Å; Q103-Q107 PolarHBondContact O-N 3.21Å
104Q57.2Low58.6Low136 Ų136134 Ų13464%0.63663%0.626SS**Hα-helixtrans-65.4-38.1173.7-73.9-174.2-9.700112.5Q100 Q101 Q107 Q108Q100-Q104 PolarHBondContact O-N 2.99Å; Q100-Q104 VanDerWaalsContact O-N 3.16Å; Q101-Q104 PolarHBondContact O-N 3.3Å; Q104-Q107 PolarHBondContact O-N 2.85Å; Q104-Q108 PolarHBondContact O-N 3.19Å
105Q56.9Low56.8Low129 Ų129135.2 Ų135.260%0.60364%0.64SS**Hα-helixtrans-67.3-37.3175.4-73.6-173.8-6.300113Q101 Q102 Q108 Q109Q101-Q105 PolarHBondContact O-N 2.83Å; Q101-Q105 VanDerWaalsContact O-N 3.1Å; Q102-Q105 PolarHBondContact O-N 2.82Å; Q105-Q108 PolarHBondContact O-N 3.1Å; Q105-Q109 PolarHBondContact O-N 3.39Å; Q105-Q109 VanDerWaalsContact O-N 3.08Å
106Q56.9Low55.1Low136 Ų136139.1 Ų139.164%0.63666%0.658SS**Hα-helixtrans-66.2-35.4174.9-78.7-170.6-9.500113Q102 Q103 Q108 Q109 Q110Q102-Q106 PolarHBondContact O-N 2.93Å; Q103-Q106 PolarHBondContact O-N 3.13Å; Q106-Q108 VanDerWaalsContact C-N 3.35Å; Q106-Q109 PolarHBondContact O-N 2.91Å; Q106-Q110 PolarHBondContact O-N 2.77Å
107Q56.6Low53.2Low145 Ų145141.6 Ų141.668%0.67867%0.67SS**Hα-helixtrans-65.8-35.6173.2-74.5-172.6-8.500112.5Q103 Q104 Q111Q103-Q107 PolarHBondContact O-N 3.21Å; Q104-Q107 PolarHBondContact O-N 2.85Å; Q107-Q111 PolarHBondContact O-N 3.48Å
108Q53.5Low51.2Low135 Ų135147.2 Ų147.263%0.63169%0.686SS**Hα-helixtrans-68.4-37.4173.9-74.3-174.3-15.300112.9Q104 Q105 Q106 Q111 Q112Q104-Q108 PolarHBondContact O-N 3.19Å; Q105-Q108 PolarHBondContact O-N 3.1Å; Q106-Q108 VanDerWaalsContact C-N 3.35Å; Q108-Q111 PolarHBondContact O-N 2.98Å; Q108-Q112 PolarHBondContact O-N 2.79Å
109Q52.5Low49.5Very low125 Ų125147.8 Ų147.858%0.58470%0.698SS**Hα-helixtrans-68.8-37178.2-74.8-173.3-9.700113.4Q105 Q106 Q111 Q112Q105-Q109 PolarHBondContact O-N 3.39Å; Q105-Q109 VanDerWaalsContact O-N 3.08Å; Q106-Q109 PolarHBondContact O-N 2.91Å; Q109-Q111 PolarHBondContact O-N 3.21Å; Q109-Q112 PolarHBondContact O-N 2.75Å
110Q51.3Low47.9Very low148 Ų148150.7 Ų150.769%0.69271%0.711SS**Hα-helixtrans-64.4-25.1172.9-74.6-170.9-6.900112.9Q106Q106-Q110 PolarHBondContact O-N 2.77Å
111Q48.6Very low46.3Very low156 Ų156151.1 Ų151.173%0.72972%0.718SS**Hα-helixtrans-82.2-15.5179.5-152.9160.166.300113.5Q107 Q108 Q109Q107-Q111 PolarHBondContact O-N 3.48Å; Q108-Q111 PolarHBondContact O-N 2.98Å; Q109-Q111 PolarHBondContact O-N 3.21Å
112Q44.8Very low44.8Very low145 Ų145152.7 Ų152.768%0.67873%0.725SS**Hα-helixtrans-87.7-26.1173.8-71.8-178-26.400113.3Q108 Q109 Q114 T115Q108-Q112 PolarHBondContact O-N 2.79Å; Q109-Q112 PolarHBondContact O-N 2.75Å; Q112-Q114 PolarHBondContact O-N 2.86Å; Q112-Q114 VanDerWaalsContact O-N 3.13Å; Q112-T115 PolarHBondContact O-N 3.07Å
113Q41.2Very low43.1Very low169 Ų169152 Ų15279%0.7973%0.734SS**THydrogen-bonded Turntrans-73.11.4-179.2-69.1-177-0.100114.9
114Q37.3Very low41.7Very low179 Ų179150 Ų15084%0.83674%0.741SS**THydrogen-bonded Turntrans-103.66.6173.5-70.1-168.61.700114.1Q112Q112-Q114 PolarHBondContact O-N 2.86Å; Q112-Q114 VanDerWaalsContact O-N 3.13Å
115T38.8Very low40.4Very low115 Ų115151.6 Ų151.671%0.70675%0.753SS**SBendtrans-110.3-13.2-172.8-50.30000114.6Q112Q112-T115 PolarHBondContact O-N 3.07Å
116E37.7Very low39Very low192 Ų192151.8 Ų151.890%0.89776%0.762SS**SBendtrans-121.351.9-175.6-64-165135.900114.2
117E32.6Very low38.8Very low178 Ų178150.7 Ų150.783%0.83277%0.767SS**  trans-143.870.1161.6-162.3-172.2133.500112
118W29.8Very low38.7Very low243 Ų243149.2 Ų149.292%0.9277%0.77SS**SBendtrans-148.9123.1156.7-94.3101.1000112.9
119T30.8Very low37.4Very low134 Ų134149 Ų14982%0.82278%0.777SS**  trans70.3139.8170.524.50000118.9
120E31.8Very low36.4Very low189 Ų189150.6 Ų150.688%0.88379%0.789SS**  trans-115160.2-162.7-59.7155.392.900113.9
121D30Very low35.9Very low137 Ų137148.1 Ų148.173%0.73379%0.786SS**  trans86.3153.5141.6-139.1-8.2000122.5
122H31.3Very low34.8Very low152 Ų152148 Ų14870%0.70479%0.79SS**  trans79.590.7160.3-68.93.9000122
123S26.3Very low34.1Very low113 Ų113149.6 Ų149.679%0.7980%0.797SS**  52.5108.3119.8-64.40000123.6
124A30.1Very low34Very low95 Ų95146.9 Ų146.979%0.78579%0.794SS**  80.6157.3119.700000123.4
125L28.9Very low34.2Very low169 Ų169144.2 Ų144.289%0.88579%0.792SS**  trans81.9178.7168.7-65.7167.8000118.3
126V27.7Very low33.5Very low132 Ų132143.9 Ų143.980%0.880%0.795SS**  trans-115178.7-142.8-109.30000113.1
127P53.1Low33Very low114 Ų114140.6 Ų140.674%0.7478%0.783SS**  trans-96.1-158.4-152.546.8-42.6000111.7
128P54.6Low32.9Very low114 Ų114138 Ų13874%0.7478%0.782SS**  cis-130.2-157.7-9.241.8-23.3000112.6
129V26.6Very low32.8Very low129 Ų129131.9 Ų131.978%0.78276%0.763SS**  trans151.6148.3140162.70000112.1
130I30.3Very low33.3Very low159 Ų159130.5 Ų130.582%0.81576%0.757SS**  trans-139.8130-176.8-69.6169000105.5
131P42.7Very low33.1Very low97 Ų97126.4 Ų126.463%0.6376%0.755SS**  -159.5-172.583.644.8-24.2000118.2
132N25.6Very low33.1Very low152 Ų152129.3 Ų129.381%0.81376%0.756SS**  trans86.7118.4152.7-70.1-7.2000122
133H28.6Very low32.9Very low180 Ų180131.5 Ų131.583%0.83377%0.767SS**  trans-79.8-167.7157.1-48.7-103.6000110.5
134P40.2Very low33Very low112 Ų112132.4 Ų132.473%0.72777%0.767SS**  cis-131.9-148.7-9.643.6-25.5000111
135P40.9Very low33.1Very low122 Ų122133.6 Ų133.679%0.79277%0.767SS**  cis-98.1-157.2-44.831.1-11.4000109
136S24.7Very low33.2Very low109 Ų109134 Ų13476%0.76277%0.769SS**  cis-159.1161.420.151.50000113.4
137N27.2Very low33.9Very low123 Ų123137.5 Ų137.566%0.65878%0.776SS**  trans-67.6157175.8-154.925.3000112.3E139N137-E139 PolarHBondContact ND2-N 3.16Å; N137-E139 PolarHBondContact OD1-N 2.9Å
138P30.2Very low33.1Very low124 Ų124135.4 Ų135.481%0.80578%0.776SS**  -136.6140.589.236.8-24.8000116.4
139E26.3Very low32.5Very low114 Ų114139 Ų13953%0.53378%0.78SS.*  trans-85.9174.9162.7-120.9-168.4129.300109.3N137 R142N137-E139 PolarHBondContact ND2-N 3.16Å; N137-E139 PolarHBondContact OD1-N 2.9Å; E139-R142 IonicContact OE1-CZ 2.72Å; E139-R142 IonicContact OE1-NE 3.53Å; E139-R142 PolarHBondContact OE1-NE 3.3Å; E139-R142 IonicContact OE1-NH2 2.75Å; E139-R142 PolarHBondContact OE1-NH2 2.81Å; E139-R142 IonicContact OE2-NH2 3.49Å
140P43.1Very low33.9Very low105 Ų105137.2 Ų137.268%0.68277%0.771SS**  cis-135.3163.4-9.437.7-20.9000115.8
141A27.2Very low35.8Very low103 Ų103136.8 Ų136.885%0.85176%0.763SS**  trans-142.8128.1143.300000108.4
142R30.4Very low37.7Very low197 Ų197133.9 Ų133.974%0.74374%0.741SS**  trans-126.5126177-66.3-175.9-170.3176.73.4109.7E139E139-R142 IonicContact OE1-CZ 2.72Å; E139-R142 IonicContact OE1-NE 3.53Å; E139-R142 PolarHBondContact OE1-NE 3.3Å; E139-R142 IonicContact OE1-NH2 2.75Å; E139-R142 PolarHBondContact OE1-NH2 2.81Å; E139-R142 IonicContact OE2-NH2 3.49Å
143E27Very low40.5Very low199 Ų199127 Ų12793%0.9371%0.705SS**  trans-103.4158.3158.1-65.8-162.5138.500109.9
144V28Very low43.3Very low131 Ų131125 Ų12579%0.79469%0.689SS**  trans-121124.7-166.1-179.40000110
145P31.6Very low45.4Very low121 Ų121122.4 Ų122.479%0.78667%0.669SS**PPolyproline II helixtrans-65.3149.3175.4-22.834.5000113.6
146L30.8Very low47.6Very low176 Ų176118.4 Ų118.492%0.92164%0.644SS**PPolyproline II helixtrans-68.6154.5-176.6-71.9153.7000113.4
147Q42.3Very low50.5Low206 Ų206118.4 Ų118.496%0.96364%0.644SS**PPolyproline II helixtrans-73.7131179.9-67.3176.7-26.100112.3
148G36.3Very low53.3Low71 Ų71116.8 Ų116.873%0.73263%0.632SS**  trans-170.5108171.200000113.6
149K43.4Very low56Low190 Ų190111.5 Ų111.583%0.82660%0.597SS**SBendtrans55.8147.4-174.4-75-169.9171.5-167.70115.7F151K149-F151 PolarHBondContact O-N 3.16Å
150P55.3Low58.6Low91 Ų91114.6 Ų114.659%0.59161%0.609SS**  trans-65.2130.816728.2-32.7000109.4F152P150-F152 PolarHBondContact O-N 3.4Å
151F69.3Low60.6Low149 Ų149111.2 Ų111.265%0.65459%0.593SS**  trans-67.5104.1177.6-178.4-92.3000109.8K149K149-F151 PolarHBondContact O-N 3.16Å
152F83.2Confident63.6Low36 Ų36113.1 Ų113.116%0.15858%0.582CS.*  trans-78143.8174.8177.1-96.4000111.2P150 R154 D186 E187 F188P150-F152 PolarHBondContact O-N 3.4Å; F152-R154 HydrophobicContact CE1-CG 3.43Å; F152-R154 VanDerWaalsContact CE1-CG 3.43Å; F152-R154 HydrophobicContact CZ-CG 3.8Å; F152-D186 WeakPolarHBondContact CB-O 3.49Å; F152-D186 VanDerWaalsContact CD1-CA 3.5Å; F152-D186 HydrophobicContact CD1-CB 3.8Å; F152-D186 VanDerWaalsContact CE1-CA 3.46Å; F152-D186 HydrophobicContact CE1-CB 4.06Å; F152-D186 VanDerWaalsContact CE1-OD1 3.26Å; F152-D186 WeakPolarHBondContact CE1-OD1 3.43Å; F152-D186 VanDerWaalsContact CG-C 3.46Å; F152-D186 HydrophobicContact CG-CB 4.42Å; F152-D186 WeakPolarHBondContact CG-O 3.43Å; F152-E187 VanDerWaalsContact CE2-C 3.44Å; F152-E187 VanDerWaalsContact CE2-O 3.3Å; F152-E187 WeakPolarHBondContact CE2-O 3.39Å; F152-F188 HydrophobicContact CB-CE2 4.4Å; F152-F188 HydrophobicContact CB-CZ 4.44Å; F152-F188 AromaticContact CD2-CD1 3.61Å; F152-F188 HydrophobicContact CD2-CD1 3.61Å; F152-F188 HydrophobicContact CD2-CD2 4.07Å; F152-F188 AromaticContact CD2-CE1 3.55Å; F152-F188 HydrophobicContact CD2-CE1 3.55Å; F152-F188 HydrophobicContact CD2-CE2 4.02Å; F152-F188 AromaticContact CD2-CG 3.87Å; F152-F188 HydrophobicContact CD2-CG 3.87Å; F152-F188 AromaticContact CD2-CZ 3.78Å; F152-F188 HydrophobicContact CD2-CZ 3.78Å; F152-F188 AromaticContact CE2-CD1 3.62Å; F152-F188 HydrophobicContact CE2-CD1 3.62Å; F152-F188 AromaticContact CE2-CE1 3.73Å; F152-F188 HydrophobicContact CE2-CE1 3.73Å; F152-F188 HydrophobicContact CE2-CG 4.2Å; F152-F188 HydrophobicContact CE2-CZ 4.42Å; F152-F188 HydrophobicContact CG-CE1 4.48Å; F152-F188 HydrophobicContact CG-CZ 4.4Å
153T83.9Confident66.5Low9 Ų9107.2 Ų107.26%0.05556%0.562CS.*  trans-147.2146172.3178.40000110.9N155 E158 L159 F188T153-N155 PolarHBondContact OG1-N 3.41Å; T153-N155 VanDerWaalsContact OG1-N 3.11Å; T153-E158 WeakPolarHBondContact CB-OE2 3.29Å; T153-E158 HydrophobicContact CG2-CB 3.72Å; T153-E158 PolarHBondContact OG1-OE2 3.43Å; T153-L159 HydrophobicContact CG2-CD2 3.75Å; T153-L159 HydrophobicContact CG2-CG 4.41Å; T153-F188 HydrophobicContact CG2-CZ 4.38Å
154R88.6Confident69.7Low136 Ų13698.4 Ų98.451%0.51352%0.521SS..SBendtrans-91.3-5.2174.6-54.3-174.3-170.71722.3112.5F152 D186F152-R154 HydrophobicContact CE1-CG 3.43Å; F152-R154 VanDerWaalsContact CE1-CG 3.43Å; F152-R154 HydrophobicContact CZ-CG 3.8Å; R154-D186 IonicContact CZ-OD1 3.35Å; R154-D186 VanDerWaalsContact CZ-OD1 3.27Å; R154-D186 IonicContact NE-OD1 3.64Å; R154-D186 PolarHBondContact NE-OD1 2.85Å; R154-D186 IonicContact NH2-OD1 2.85Å; R154-D186 PolarHBondContact NH2-OD1 3.22Å; R154-D186 IonicContact NH2-OD2 3.98Å; R154-D186 PolarHBondContact NH2-OD2 2.82Å
155N84.5Confident72.9Confident58 Ų5898 Ų9831%0.3151%0.511SS..  trans-99116.8179.6-179.74.7000110.3T153 S157 E158T153-N155 PolarHBondContact OG1-N 3.41Å; T153-N155 VanDerWaalsContact OG1-N 3.11Å; N155-S157 PolarHBondContact O-N 3.11Å; N155-S157 VanDerWaalsContact O-N 3.14Å; N155-S157 VanDerWaalsContact OD1-CB 3.24Å; N155-S157 WeakPolarHBondContact OD1-CB 3.11Å; N155-S157 PolarHBondContact OD1-N 3.39Å; N155-S157 PolarHBondContact OD1-OG 3.12Å; N155-E158 HydrophobicContact CB-CB 4.41Å; N155-E158 HydrophobicContact CB-CG 4.19Å; N155-E158 WeakPolarHBondContact CB-OE1 3.21Å; N155-E158 PolarHBondContact ND2-OE1 3.18Å; N155-E158 PolarHBondContact O-N 2.8Å; N155-E158 VanDerWaalsContact O-N 3.09Å
156P86.4Confident75.8Confident38 Ų3892.6 Ų92.625%0.24748%0.475CS..G310 helixtrans-53.5-35175.2-27.936.4000113.2E158 L159 F163 V213 L221P156-E158 PolarHBondContact O-N 3.04Å; P156-E158 VanDerWaalsContact O-N 3.13Å; P156-L159 WeakPolarHBondContact O-CB 3.44Å; P156-L159 PolarHBondContact O-N 3.27Å; P156-L159 VanDerWaalsContact O-N 3.07Å; P156-F163 WeakPolarHBondContact O-CZ 3.33Å; P156-V213 HydrophobicContact CB-CG1 3.88Å; P156-V213 HydrophobicContact CG-CG1 3.91Å; P156-L221 HydrophobicContact CB-CD1 4.4Å; P156-L221 HydrophobicContact CG-CD1 3.89Å
157S85.8Confident78.9Confident110 Ų11089.8 Ų89.877%0.76946%0.455SS*.G310 helixtrans-63.8-18.6-178.2-34.70000114.1N155N155-S157 PolarHBondContact O-N 3.11Å; N155-S157 VanDerWaalsContact O-N 3.14Å; N155-S157 VanDerWaalsContact OD1-CB 3.24Å; N155-S157 WeakPolarHBondContact OD1-CB 3.11Å; N155-S157 PolarHBondContact OD1-N 3.39Å; N155-S157 PolarHBondContact OD1-OG 3.12Å
158E85.9Confident81.4Confident88 Ų8880.1 Ų80.141%0.41141%0.41SS..G310 helixtrans-96.2-5.9179.5-72.4161.8-141.100112.7T153 N155 P156 K160T153-E158 WeakPolarHBondContact CB-OE2 3.29Å; T153-E158 HydrophobicContact CG2-CB 3.72Å; T153-E158 PolarHBondContact OG1-OE2 3.43Å; N155-E158 HydrophobicContact CB-CB 4.41Å; N155-E158 HydrophobicContact CB-CG 4.19Å; N155-E158 WeakPolarHBondContact CB-OE1 3.21Å; N155-E158 PolarHBondContact ND2-OE1 3.18Å; N155-E158 PolarHBondContact O-N 2.8Å; N155-E158 VanDerWaalsContact O-N 3.09Å; P156-E158 PolarHBondContact O-N 3.04Å; P156-E158 VanDerWaalsContact O-N 3.13Å; E158-K160 PolarHBondContact O-N 2.85Å
159L86.3Confident84Confident13 Ų1384.3 Ų84.37%0.06840%0.404CS..  trans-70.2123.3-179.7-65.1178.9000111.6T153 P156 G161 F163 F188 V213 L221 C246 Y249T153-L159 HydrophobicContact CG2-CD2 3.75Å; T153-L159 HydrophobicContact CG2-CG 4.41Å; P156-L159 WeakPolarHBondContact O-CB 3.44Å; P156-L159 PolarHBondContact O-N 3.27Å; P156-L159 VanDerWaalsContact O-N 3.07Å; L159-G161 PolarHBondContact O-N 2.6Å; L159-F163 HydrophobicContact CB-CE2 4.27Å; L159-F163 HydrophobicContact CB-CZ 3.97Å; L159-F163 HydrophobicContact CD1-CE1 4.4Å; L159-F163 HydrophobicContact CD1-CZ 4.02Å; L159-F188 HydrophobicContact CD2-CE1 3.61Å; L159-F188 HydrophobicContact CD2-CZ 3.79Å; L159-V213 HydrophobicContact CD1-CB 4.44Å; L159-V213 HydrophobicContact CD1-CG1 4.06Å; L159-V213 HydrophobicContact CD1-CG2 3.52Å; L159-L221 HydrophobicContact CD1-CD1 3.92Å; L159-L221 HydrophobicContact CD1-CD2 4.24Å; L159-L221 HydrophobicContact CD2-CD1 4.39Å; L159-L221 HydrophobicContact CG-CD1 4.25Å; L159-C246 HydrophobicContact CD1-CB 3.87Å; L159-Y249 WeakPolarHBondContact CA-OH 3.27Å; L159-Y249 HydrophobicContact CB-CE2 4.44Å; L159-Y249 HydrophobicContact CD2-CE2 4.14Å; L159-Y249 WeakPolarHBondContact CD2-OH 3.35Å
160K80.8Confident86.4Confident180 Ų18076.6 Ų76.678%0.78337%0.37SS*.  trans-93.779-179.1-66.4176.6-176.1172.20109.9E158 Y249E158-K160 PolarHBondContact O-N 2.85Å; K160-Y249 PolarHBondContact N-OH 3.36Å
161G84.8Confident88Confident34 Ų3474 Ų7435%0.35135%0.354SS..SBendtrans-168.4-177.8179.900000114.2L159 C246 R247L159-G161 PolarHBondContact O-N 2.6Å; G161-C246 VanDerWaalsContact CA-SG 3.52Å; G161-R247 CarbonylContact C-O 3.43Å; G161-R247 WeakPolarHBondContact CA-O 3.39Å
162K90.8Very high88.7Confident142 Ų14272 Ų7262%0.61736%0.359SS*.EExtended strand (participates in β ladder)trans-88120.2174.6-179-172.7174.7-170.30109.6I164 R247K162-I164 HydrophobicContact CG-CG1 4.48Å; K162-R247 HydrophobicContact CB-CB 4.5Å; K162-R247 PolarHBondContact N-O 3.06Å; K162-R247 PolarHBondContact O-N 2.9Å
163F92.3Very high88.7Confident73 Ų7379.7 Ų79.732%0.3239%0.387SS..EExtended strand (participates in β ladder)trans-72.6138172.1-76.8-100.3000111.9P156 L159 V213 E244 L245P156-F163 WeakPolarHBondContact O-CZ 3.33Å; L159-F163 HydrophobicContact CB-CE2 4.27Å; L159-F163 HydrophobicContact CB-CZ 3.97Å; L159-F163 HydrophobicContact CD1-CE1 4.4Å; L159-F163 HydrophobicContact CD1-CZ 4.02Å; F163-V213 HydrophobicContact CE1-CG1 4.23Å; F163-V213 HydrophobicContact CE1-CG2 4.29Å; F163-E244 HydrophobicContact CD1-CG 3.89Å; F163-E244 VanDerWaalsContact CD1-OE1 3.26Å; F163-E244 WeakPolarHBondContact CD1-OE1 3.34Å; F163-E244 HydrophobicContact CE1-CG 4.42Å; F163-L245 CarbonylContact C-O 3.58Å; F163-L245 WeakPolarHBondContact CA-O 3.37Å
164I94.3Very high89Confident14 Ų1480.3 Ų80.37%0.07240%0.395CS..EExtended strand (participates in β ladder)trans-136.1123.7-175.4-60.5173.6000107.8K162 K205 E244 L245 R247K162-I164 HydrophobicContact CG-CG1 4.48Å; I164-K205 HydrophobicContact CG2-CB 4.03Å; I164-E244 WeakPolarHBondContact O-CA 3.13Å; I164-L245 HydrophobicContact CB-CB 4.35Å; I164-L245 PolarHBondContact N-O 2.94Å; I164-L245 PolarHBondContact O-N 2.72Å; I164-R247 HydrophobicContact CD1-CB 3.94Å
165H93.9Very high89.2Confident124 Ų12474.6 Ų74.657%0.57437%0.374SS*.EExtended strand (participates in β ladder)trans-105.7131.1175.9-72.153.3000109.9K205 L243 E244H165-K205 WeakPolarHBondContact O-CD 3.43Å; H165-L243 WeakPolarHBondContact CA-O 3.44Å; H165-E244 IonicContact CE1-OE1 2.78Å; H165-E244 PolarHBondContact CE1-OE1 3.38Å; H165-E244 VanDerWaalsContact CE1-OE1 3.3Å; H165-E244 IonicContact NE2-OE1 3.49Å
166T93.6Very high89.5Confident6 Ų672.1 Ų72.14%0.03736%0.362CS..EExtended strand (participates in β ladder)trans-138.2152175.9-179.10000111.6L168 D203 M206 L243 L245T166-L168 HydrophobicContact CG2-CD2 4.42Å; T166-L168 HydrophobicContact CG2-CG 4.36Å; T166-L168 WeakPolarHBondContact OG1-CD2 3.42Å; T166-D203 WeakPolarHBondContact CB-OD2 3.21Å; T166-D203 PolarHBondContact OG1-OD2 3.02Å; T166-M206 HydrophobicContact CG2-CG 4.02Å; T166-M206 HydrophobicContact CG2-SD 4.08Å; T166-L243 HydrophobicContact CG2-CB 3.84Å; T166-L243 HydrophobicContact CG2-CD1 4.3Å; T166-L243 PolarHBondContact N-O 2.88Å; T166-L243 PolarHBondContact O-N 3.13Å; T166-L245 HydrophobicContact CG2-CD1 4.21Å
167K94.6Very high89.7Confident118 Ų11871.7 Ų71.751%0.51336%0.357SS..EExtended strand (participates in β ladder)trans-123.993.3179.3-170.8-177.3-156.6800109.7V241 D242K167-V241 CarbonylContact C-O 3.58Å; K167-V241 VanDerWaalsContact CA-O 3.26Å; K167-V241 WeakPolarHBondContact CA-O 3.46Å; K167-D242 WeakPolarHBondContact CD-OD1 3.48Å; K167-D242 VanDerWaalsContact CG-OD1 3.27Å; K167-D242 WeakPolarHBondContact CG-OD1 3.46Å; K167-D242 IonicContact NZ-OD1 2.69Å; K167-D242 PolarHBondContact NZ-OD1 2.9Å; K167-D242 IonicContact NZ-OD2 3.34Å; K167-D242 PolarHBondContact NZ-OD2 3.34Å
168L94.5Very high89.8Confident2 Ų269.2 Ų69.21%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-90.3142.5-176-56.3-173.9000111.7T166 F175 F177 A200 D203 M206 S240 V241 L243T166-L168 HydrophobicContact CG2-CD2 4.42Å; T166-L168 HydrophobicContact CG2-CG 4.36Å; T166-L168 WeakPolarHBondContact OG1-CD2 3.42Å; L168-F175 HydrophobicContact CB-CD1 3.88Å; L168-F175 HydrophobicContact CD1-CB 4.15Å; L168-F177 HydrophobicContact CD1-CD1 4.08Å; L168-F177 HydrophobicContact CD1-CE1 3.78Å; L168-A200 HydrophobicContact CD1-CB 3.84Å; L168-A200 HydrophobicContact CD2-CB 4.43Å; L168-D203 HydrophobicContact CD2-CB 3.67Å; L168-M206 HydrophobicContact CD1-SD 3.72Å; L168-M206 HydrophobicContact CD2-SD 4.46Å; L168-M206 HydrophobicContact CG-SD 4.45Å; L168-S240 CarbonylContact O-C 3.55Å; L168-S240 WeakPolarHBondContact O-CA 3.33Å; L168-V241 HydrophobicContact CB-CG1 3.98Å; L168-V241 PolarHBondContact N-O 3.02Å; L168-V241 PolarHBondContact O-N 3.36Å; L168-L243 HydrophobicContact CD1-CD1 3.85Å; L168-L243 HydrophobicContact CG-CD1 4.19Å
169R92.3Very high90Very high159 Ų15966.4 Ų66.460%0.633%0.326SS*.EExtended strand (participates in β ladder)trans-98127.6172.6-167176.6179-124.7-4.9110.9S171 P199 G238R169-S171 PolarHBondContact O-N 2.84Å; R169-P199 WeakPolarHBondContact O-CB 3.24Å; R169-P199 VanDerWaalsContact O-CG 3.27Å; R169-P199 WeakPolarHBondContact O-CG 3.44Å; R169-G238 PolarHBondContact NE-O 2.66Å; R169-G238 PolarHBondContact NH2-O 2.93Å; R169-G238 VanDerWaalsContact NH2-O 3.12Å
170K92.8Very high89.9Confident28 Ų2867 Ų6712%0.12233%0.329CS..  trans-67.9115.2-179.4-164171.1178.7169.80110.3F175 F232 Q233 I235 G238 A239K170-F175 HydrophobicContact CB-CD1 4.12Å; K170-F175 HydrophobicContact CB-CE1 3.47Å; K170-F175 VanDerWaalsContact CB-CE1 3.47Å; K170-F175 HydrophobicContact CB-CE2 4.25Å; K170-F175 HydrophobicContact CB-CZ 3.56Å; K170-F175 HydrophobicContact CD-CE1 4.48Å; K170-F175 HydrophobicContact CD-CE2 3.79Å; K170-F175 HydrophobicContact CD-CZ 3.71Å; K170-F175 HydrophobicContact CG-CD1 4.44Å; K170-F175 HydrophobicContact CG-CD2 4.35Å; K170-F175 HydrophobicContact CG-CE1 3.99Å; K170-F175 HydrophobicContact CG-CE2 3.86Å; K170-F175 HydrophobicContact CG-CZ 3.69Å; K170-F232 PolarHBondContact NZ-O 3.21Å; K170-Q233 PolarHBondContact NZ-O 2.83Å; K170-I235 HydrophobicContact CD-CB 4.5Å; K170-I235 HydrophobicContact CD-CG2 4.36Å; K170-I235 WeakPolarHBondContact CD-O 3.44Å; K170-I235 WeakPolarHBondContact CE-O 3.45Å; K170-I235 PolarHBondContact NZ-O 3.26Å; K170-G238 PolarHBondContact O-N 3.28Å; K170-A239 PolarHBondContact N-O 2.68Å
171S89.7Confident89.9Confident36 Ų3658.5 Ų58.525%0.25229%0.294SS..BIsolated β-bridgetrans-81.7173.5171.278.10000111.2R169 R173 G174R169-S171 PolarHBondContact O-N 2.84Å; S171-R173 PolarHBondContact O-N 3.3Å; S171-R173 WeakPolarHBondContact OG-CA 3.33Å; S171-R173 PolarHBondContact OG-N 3.23Å; S171-G174 WeakPolarHBondContact CB-O 3.34Å; S171-G174 PolarHBondContact N-O 2.87Å; S171-G174 PolarHBondContact O-N 3.06Å; S171-G174 PolarHBondContact OG-N 3.32Å; S171-G174 PolarHBondContact OG-O 2.95Å
172S84.3Confident89.6Confident107 Ų10757 Ų5775%0.74828%0.277SS*.THydrogen-bonded Turntrans-61.3-16.8167.751.10000113.5
173R83.3Confident88.8Confident199 Ų19956.8 Ų56.875%0.75128%0.283SS*.THydrogen-bonded Turntrans-102.318.6173.1-59.7178.867.2-159.5-1112.5S171S171-R173 PolarHBondContact O-N 3.3Å; S171-R173 WeakPolarHBondContact OG-CA 3.33Å; S171-R173 PolarHBondContact OG-N 3.23Å
174G89.6Confident88.1Confident22 Ų2259.6 Ų59.623%0.22730%0.297CS..BIsolated β-bridgetrans79-152.1-175.600000113.2S171S171-G174 WeakPolarHBondContact CB-O 3.34Å; S171-G174 PolarHBondContact N-O 2.87Å; S171-G174 PolarHBondContact O-N 3.06Å; S171-G174 PolarHBondContact OG-N 3.32Å; S171-G174 PolarHBondContact OG-O 2.95Å
175F93Very high87Confident15 Ų1561.2 Ų61.27%0.06631%0.309CS..THydrogen-bonded Turntrans-91-6.6-175.3-62.2-79.2000114.5L168 K170 F177 P199 A200 F232 I235 V241L168-F175 HydrophobicContact CB-CD1 3.88Å; L168-F175 HydrophobicContact CD1-CB 4.15Å; K170-F175 HydrophobicContact CB-CD1 4.12Å; K170-F175 HydrophobicContact CB-CE1 3.47Å; K170-F175 VanDerWaalsContact CB-CE1 3.47Å; K170-F175 HydrophobicContact CB-CE2 4.25Å; K170-F175 HydrophobicContact CB-CZ 3.56Å; K170-F175 HydrophobicContact CD-CE1 4.48Å; K170-F175 HydrophobicContact CD-CE2 3.79Å; K170-F175 HydrophobicContact CD-CZ 3.71Å; K170-F175 HydrophobicContact CG-CD1 4.44Å; K170-F175 HydrophobicContact CG-CD2 4.35Å; K170-F175 HydrophobicContact CG-CE1 3.99Å; K170-F175 HydrophobicContact CG-CE2 3.86Å; K170-F175 HydrophobicContact CG-CZ 3.69Å; F175-F177 HydrophobicContact CB-CD1 3.77Å; F175-F177 HydrophobicContact CB-CE1 3.45Å; F175-F177 VanDerWaalsContact CB-CE1 3.45Å; F175-F177 HydrophobicContact CB-CZ 4.43Å; F175-F177 HydrophobicContact CG-CE1 4.29Å; F175-P199 WeakPolarHBondContact O-CB 3.36Å; F175-P199 WeakPolarHBondContact O-CD 3.5Å; F175-A200 PolarHBondContact O-N 2.82Å; F175-F232 HydrophobicContact CD2-CB 4.47Å; F175-F232 AromaticContact CD2-CD1 3.71Å; F175-F232 HydrophobicContact CD2-CD1 3.71Å; F175-F232 HydrophobicContact CD2-CE1 4.37Å; F175-F232 HydrophobicContact CD2-CG 4.41Å; F175-F232 HydrophobicContact CE2-CB 4.17Å; F175-F232 AromaticContact CE2-CD1 3.53Å; F175-F232 HydrophobicContact CE2-CD1 3.53Å; F175-F232 HydrophobicContact CE2-CE1 4.39Å; F175-F232 HydrophobicContact CE2-CG 4.29Å; F175-F232 HydrophobicContact CZ-CD1 4.24Å; F175-I235 HydrophobicContact CZ-CB 4.28Å; F175-I235 HydrophobicContact CZ-CD1 4.22Å; F175-I235 HydrophobicContact CZ-CG2 3.98Å; F175-V241 HydrophobicContact CD1-CG1 3.77Å; F175-V241 HydrophobicContact CE1-CB 3.96Å; F175-V241 HydrophobicContact CE1-CG1 3.3Å; F175-V241 HydrophobicContact CZ-CB 4.12Å; F175-V241 HydrophobicContact CZ-CG1 3.8Å
176G89.7Confident86.5Confident7 Ų759.5 Ų59.57%0.07230%0.304CS..SBendtrans79.332.7174.600000114.9V195G176-V195 WeakPolarHBondContact O-CB 3.31Å; G176-V195 PolarHBondContact O-N 3.37Å
177F92.5Very high86.1Confident29 Ų2961.8 Ų61.813%0.12731%0.314CS..EExtended strand (participates in β ladder)trans-143.1165.7169.164.9-92.3000110.7L168 F175 V179 I191 S193 L194 A200 M206 I212 F232 L243L168-F177 HydrophobicContact CD1-CD1 4.08Å; L168-F177 HydrophobicContact CD1-CE1 3.78Å; F175-F177 HydrophobicContact CB-CD1 3.77Å; F175-F177 HydrophobicContact CB-CE1 3.45Å; F175-F177 VanDerWaalsContact CB-CE1 3.45Å; F175-F177 HydrophobicContact CB-CZ 4.43Å; F175-F177 HydrophobicContact CG-CE1 4.29Å; F177-V179 HydrophobicContact CD2-CG2 3.83Å; F177-V179 HydrophobicContact CE2-CG2 3.59Å; F177-I191 HydrophobicContact CB-CG2 4.37Å; F177-I191 HydrophobicContact CD2-CD1 3.52Å; F177-I191 HydrophobicContact CE2-CD1 3.72Å; F177-I191 HydrophobicContact CG-CD1 4.22Å; F177-S193 CarbonylContact C-O 3.51Å; F177-S193 VanDerWaalsContact CA-O 3.26Å; F177-S193 WeakPolarHBondContact CA-O 3.49Å; F177-S193 WeakPolarHBondContact CB-O 3.46Å; F177-L194 HydrophobicContact CB-CD2 3.73Å; F177-A200 HydrophobicContact CB-CB 4.19Å; F177-A200 HydrophobicContact CD1-CB 3.89Å; F177-M206 HydrophobicContact CD1-CE 4.06Å; F177-M206 HydrophobicContact CD1-SD 4.48Å; F177-M206 HydrophobicContact CD2-CE 4.45Å; F177-M206 HydrophobicContact CE1-CE 4.27Å; F177-M206 HydrophobicContact CG-CE 4.14Å; F177-I212 HydrophobicContact CE2-CD1 4.33Å; F177-F232 HydrophobicContact CE2-CE2 4.38Å; F177-F232 HydrophobicContact CE2-CZ 4.39Å; F177-F232 AromaticContact CZ-CE1 3.92Å; F177-F232 HydrophobicContact CZ-CE1 3.92Å; F177-F232 HydrophobicContact CZ-CE2 4.02Å; F177-F232 AromaticContact CZ-CZ 3.65Å; F177-F232 HydrophobicContact CZ-CZ 3.65Å; F177-L243 HydrophobicContact CE1-CD1 4.4Å; F177-L243 HydrophobicContact CZ-CD1 4.48Å
178T87.9Confident85.8Confident58 Ų5856.6 Ų56.636%0.35629%0.292SS..EExtended strand (participates in β ladder)trans-121.3158.6170.467.30000110.3K192 S193T178-K192 PolarHBondContact O-N 3.1Å; T178-S193 PolarHBondContact N-O 2.86Å; T178-S193 PolarHBondContact OG1-N 2.69Å; T178-S193 VanDerWaalsContact OG1-N 3.16Å; T178-S193 PolarHBondContact OG1-OG 2.98Å
179V89.7Confident85.6Confident29 Ų2956.8 Ų56.818%0.17629%0.293CS..EExtended strand (participates in β ladder)trans-124.1147.6-174.6-174.20000109.2F177 L189 Q190 I212 H225F177-V179 HydrophobicContact CD2-CG2 3.83Å; F177-V179 HydrophobicContact CE2-CG2 3.59Å; V179-L189 HydrophobicContact CG1-CB 3.88Å; V179-L189 HydrophobicContact CG1-CD2 4.14Å; V179-L189 HydrophobicContact CG1-CG 4.24Å; V179-Q190 CarbonylContact C-O 3.46Å; V179-Q190 VanDerWaalsContact CA-O 3.29Å; V179-Q190 WeakPolarHBondContact CA-O 3.19Å; V179-Q190 WeakPolarHBondContact CG1-O 3.28Å; V179-I212 HydrophobicContact CG1-CD1 4.17Å; V179-I212 HydrophobicContact CG2-CD1 3.87Å; V179-H225 PolarHBondContact O-CE1 3.05Å
180V84Confident85.6Confident24 Ų2449.5 Ų49.515%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-127.5157.517063.60000109.4Q190 K192 L251V180-Q190 HydrophobicContact CG1-CB 4.35Å; V180-Q190 PolarHBondContact N-O 3.08Å; V180-Q190 PolarHBondContact O-N 3.34Å; V180-K192 HydrophobicContact CB-CB 3.92Å; V180-K192 HydrophobicContact CB-CD 4.02Å; V180-K192 HydrophobicContact CB-CG 4.1Å; V180-K192 HydrophobicContact CG1-CB 3.92Å; V180-K192 HydrophobicContact CG1-CG 4.22Å; V180-K192 HydrophobicContact CG2-CD 4.49Å; V180-L251 HydrophobicContact CG1-CD2 3.7Å
181G80.6Confident85.5Confident3 Ų348.2 Ų48.23%0.03126%0.26CS..  trans73.3177.4-175.300000113.4E187 H225G181-E187 WeakPolarHBondContact CA-OE1 3.42Å; G181-E187 WeakPolarHBondContact CA-OE2 3.44Å; G181-H225 PolarHBondContact O-ND1 2.76Å; G181-H225 VanDerWaalsContact O-ND1 3.09Å
182G77.2Confident85.4Confident1 Ų149 Ų491%0.0126%0.259CS..  trans84.118.1-168.200000113.2E187 T224 H225G182-E187 PolarHBondContact N-OE2 2.95Å; G182-T224 CarbonylContact O-C 3.59Å; G182-T224 WeakPolarHBondContact O-CA 3.38Å; G182-T224 WeakPolarHBondContact O-CB 3.3Å; G182-H225 PolarHBondContact O-N 3.07Å
183D75.6Confident85.5Confident139 Ų13946.2 Ų46.274%0.74324%0.239SC*.SBendtrans-74.9-32.5173-73.6-39.5000110.4E187D183-E187 PolarHBondContact N-OE2 3.4Å
184E76Confident85.7Confident131 Ų13139.3 Ų39.361%0.61222%0.217SC*.SBendtrans-101.3148.5161.9-61.5-162.8112.800111.1D186 E187E184-D186 PolarHBondContact O-N 3.15Å; E184-E187 HydrophobicContact CB-CB 4.47Å; E184-E187 WeakPolarHBondContact O-CB 3.36Å; E184-E187 PolarHBondContact O-N 3.45Å
185P72.9Confident85.7Confident49 Ų4940.6 Ų40.632%0.31822%0.221SC..THydrogen-bonded Turntrans-73.92.3175.333.8-37.7000113.6G222 T224P185-G222 WeakPolarHBondContact O-CA 3.44Å; P185-T224 HydrophobicContact CB-CG2 4.49Å
186D81.8Confident85Confident87 Ų8747 Ų4747%0.46526%0.255SS..THydrogen-bonded Turntrans-117.530.6172.9-66.4-58.8000111.9F152 R154 E184F152-D186 WeakPolarHBondContact CB-O 3.49Å; F152-D186 VanDerWaalsContact CD1-CA 3.5Å; F152-D186 HydrophobicContact CD1-CB 3.8Å; F152-D186 VanDerWaalsContact CE1-CA 3.46Å; F152-D186 HydrophobicContact CE1-CB 4.06Å; F152-D186 VanDerWaalsContact CE1-OD1 3.26Å; F152-D186 WeakPolarHBondContact CE1-OD1 3.43Å; F152-D186 VanDerWaalsContact CG-C 3.46Å; F152-D186 HydrophobicContact CG-CB 4.42Å; F152-D186 WeakPolarHBondContact CG-O 3.43Å; R154-D186 IonicContact CZ-OD1 3.35Å; R154-D186 VanDerWaalsContact CZ-OD1 3.27Å; R154-D186 IonicContact NE-OD1 3.64Å; R154-D186 PolarHBondContact NE-OD1 2.85Å; R154-D186 IonicContact NH2-OD1 2.85Å; R154-D186 PolarHBondContact NH2-OD1 3.22Å; R154-D186 IonicContact NH2-OD2 3.98Å; R154-D186 PolarHBondContact NH2-OD2 2.82Å; E184-D186 PolarHBondContact O-N 3.15Å
187E85.5Confident84.6Confident54 Ų5453.4 Ų53.425%0.25229%0.287SS..SBendtrans-121.7147.7173.2-166-171.4-165.200110.6F152 G181 G182 D183 E184F152-E187 VanDerWaalsContact CE2-C 3.44Å; F152-E187 VanDerWaalsContact CE2-O 3.3Å; F152-E187 WeakPolarHBondContact CE2-O 3.39Å; G181-E187 WeakPolarHBondContact CA-OE1 3.42Å; G181-E187 WeakPolarHBondContact CA-OE2 3.44Å; G182-E187 PolarHBondContact N-OE2 2.95Å; D183-E187 PolarHBondContact N-OE2 3.4Å; E184-E187 HydrophobicContact CB-CB 4.47Å; E184-E187 WeakPolarHBondContact O-CB 3.36Å; E184-E187 PolarHBondContact O-N 3.45Å
188F89.1Confident84.4Confident9 Ų952.3 Ų52.34%0.03928%0.284CS..  trans-80.5133.9173.7-66.6-59.8000111.7F152 T153 L159 Q190 V211 L221 Y249F152-F188 HydrophobicContact CB-CE2 4.4Å; F152-F188 HydrophobicContact CB-CZ 4.44Å; F152-F188 AromaticContact CD2-CD1 3.61Å; F152-F188 HydrophobicContact CD2-CD1 3.61Å; F152-F188 HydrophobicContact CD2-CD2 4.07Å; F152-F188 AromaticContact CD2-CE1 3.55Å; F152-F188 HydrophobicContact CD2-CE1 3.55Å; F152-F188 HydrophobicContact CD2-CE2 4.02Å; F152-F188 AromaticContact CD2-CG 3.87Å; F152-F188 HydrophobicContact CD2-CG 3.87Å; F152-F188 AromaticContact CD2-CZ 3.78Å; F152-F188 HydrophobicContact CD2-CZ 3.78Å; F152-F188 AromaticContact CE2-CD1 3.62Å; F152-F188 HydrophobicContact CE2-CD1 3.62Å; F152-F188 AromaticContact CE2-CE1 3.73Å; F152-F188 HydrophobicContact CE2-CE1 3.73Å; F152-F188 HydrophobicContact CE2-CG 4.2Å; F152-F188 HydrophobicContact CE2-CZ 4.42Å; F152-F188 HydrophobicContact CG-CE1 4.48Å; F152-F188 HydrophobicContact CG-CZ 4.4Å; T153-F188 HydrophobicContact CG2-CZ 4.38Å; L159-F188 HydrophobicContact CD2-CE1 3.61Å; L159-F188 HydrophobicContact CD2-CZ 3.79Å; F188-Q190 HydrophobicContact CB-CG 4.2Å; F188-V211 HydrophobicContact CB-CG1 4.04Å; F188-V211 HydrophobicContact CB-CG2 4.08Å; F188-V211 HydrophobicContact CD1-CG1 3.76Å; F188-V211 HydrophobicContact CG-CG1 4.1Å; F188-V211 HydrophobicContact CG-CG2 4.18Å; F188-L221 HydrophobicContact CD1-CD2 4.17Å; F188-L221 HydrophobicContact CE1-CD2 4.26Å; F188-Y249 AromaticContact CD2-CD1 3.91Å; F188-Y249 HydrophobicContact CD2-CD1 3.91Å; F188-Y249 HydrophobicContact CD2-CE1 4.16Å; F188-Y249 AromaticContact CE2-CD1 3.6Å; F188-Y249 HydrophobicContact CE2-CD1 3.6Å; F188-Y249 AromaticContact CE2-CE1 3.39Å; F188-Y249 HydrophobicContact CE2-CE1 3.39Å; F188-Y249 HydrophobicContact CZ-CD1 4.38Å; F188-Y249 AromaticContact CZ-CE1 3.81Å; F188-Y249 HydrophobicContact CZ-CE1 3.81Å
189L90.7Very high84.5Confident6 Ų650.7 Ų50.73%0.03127%0.274CS..  trans-78.1121.4165-76.779.5000109.1V179 V211 I212 H223 V228V179-L189 HydrophobicContact CG1-CB 3.88Å; V179-L189 HydrophobicContact CG1-CD2 4.14Å; V179-L189 HydrophobicContact CG1-CG 4.24Å; L189-V211 CarbonylContact O-C 3.58Å; L189-V211 WeakPolarHBondContact O-CA 3.37Å; L189-I212 PolarHBondContact O-N 2.79Å; L189-H223 WeakPolarHBondContact CD1-O 3.41Å; L189-V228 HydrophobicContact CD2-CB 3.49Å; L189-V228 VanDerWaalsContact CD2-CB 3.49Å; L189-V228 HydrophobicContact CD2-CG1 3.87Å; L189-V228 HydrophobicContact CD2-CG2 3.5Å; L189-V228 VanDerWaalsContact CD2-CG2 3.5Å
190Q91.4Very high84.6Confident7 Ų749.3 Ų49.33%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-125.4149.4-176.7-70.1174.4-9400112.3V179 V180 F188 K192 G209 D210 V211 Y249 P250 L251V179-Q190 CarbonylContact C-O 3.46Å; V179-Q190 VanDerWaalsContact CA-O 3.29Å; V179-Q190 WeakPolarHBondContact CA-O 3.19Å; V179-Q190 WeakPolarHBondContact CG1-O 3.28Å; V180-Q190 HydrophobicContact CG1-CB 4.35Å; V180-Q190 PolarHBondContact N-O 3.08Å; V180-Q190 PolarHBondContact O-N 3.34Å; F188-Q190 HydrophobicContact CB-CG 4.2Å; Q190-K192 PolarHBondContact O-N 2.9Å; Q190-G209 PolarHBondContact NE2-O 3.1Å; Q190-D210 CarbonylContact C-O 3.56Å; Q190-D210 VanDerWaalsContact CA-O 3.29Å; Q190-D210 WeakPolarHBondContact CA-O 3.4Å; Q190-V211 HydrophobicContact CG-CB 4.38Å; Q190-V211 HydrophobicContact CG-CG2 3.7Å; Q190-Y249 PolarHBondContact NE2-O 3.41Å; Q190-P250 PolarHBondContact NE2-O 3.21Å; Q190-P250 PolarHBondContact OE1-O 3.08Å; Q190-L251 HydrophobicContact CB-CD2 3.59Å
191I91.8Very high84.8Confident0 Ų050 Ų500%027%0.274CS..EExtended strand (participates in β ladder)trans-68.5112.1176.9-56.1-56.5000109.8F177 L194 M206 T208 G209 D210 I212F177-I191 HydrophobicContact CB-CG2 4.37Å; F177-I191 HydrophobicContact CD2-CD1 3.52Å; F177-I191 HydrophobicContact CE2-CD1 3.72Å; F177-I191 HydrophobicContact CG-CD1 4.22Å; I191-L194 HydrophobicContact CG2-CD2 3.76Å; I191-L194 HydrophobicContact CG2-CG 4.42Å; I191-M206 HydrophobicContact CD1-CE 3.35Å; I191-M206 HydrophobicContact CG1-CE 3.63Å; I191-T208 CarbonylContact O-C 3.59Å; I191-T208 WeakPolarHBondContact O-CA 3.42Å; I191-G209 PolarHBondContact O-N 3.19Å; I191-D210 HydrophobicContact CG1-CB 4.06Å; I191-D210 WeakPolarHBondContact CG1-O 3.21Å; I191-D210 PolarHBondContact N-O 2.99Å; I191-I212 HydrophobicContact CD1-CD1 4Å; I191-I212 HydrophobicContact CD1-CG1 4.02Å
192K86.8Confident85.2Confident53 Ų5356 Ų5623%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-80.6-41.9-179.7-168.8-177.8-168.8154.90112.2T178 V180 Q190 T208 D254 D257T178-K192 PolarHBondContact O-N 3.1Å; V180-K192 HydrophobicContact CB-CB 3.92Å; V180-K192 HydrophobicContact CB-CD 4.02Å; V180-K192 HydrophobicContact CB-CG 4.1Å; V180-K192 HydrophobicContact CG1-CB 3.92Å; V180-K192 HydrophobicContact CG1-CG 4.22Å; V180-K192 HydrophobicContact CG2-CD 4.49Å; Q190-K192 PolarHBondContact O-N 2.9Å; K192-T208 VanDerWaalsContact O-CG2 3.27Å; K192-T208 WeakPolarHBondContact O-CG2 3.36Å; K192-D254 IonicContact NZ-OD2 3.57Å; K192-D254 PolarHBondContact NZ-OD2 3.21Å; K192-D257 WeakPolarHBondContact CE-OD2 3.34Å; K192-D257 IonicContact NZ-OD2 2.77Å
193S85.7Confident85.9Confident49 Ų4958.4 Ų58.434%0.34332%0.318SS..EExtended strand (participates in β ladder)trans-156.6159175.872.40000112.6F177 T178F177-S193 CarbonylContact C-O 3.51Å; F177-S193 VanDerWaalsContact CA-O 3.26Å; F177-S193 WeakPolarHBondContact CA-O 3.49Å; F177-S193 WeakPolarHBondContact CB-O 3.46Å; T178-S193 PolarHBondContact N-O 2.86Å; T178-S193 PolarHBondContact OG1-N 2.69Å; T178-S193 VanDerWaalsContact OG1-N 3.16Å; T178-S193 PolarHBondContact OG1-OG 2.98Å
194L89.2Confident86.6Confident53 Ų5354.3 Ų54.328%0.27731%0.309SS..EExtended strand (participates in β ladder)trans-108.1137.4172.5-58.9177.3000109.7F177 I191 A200 M206F177-L194 HydrophobicContact CB-CD2 3.73Å; I191-L194 HydrophobicContact CG2-CD2 3.76Å; I191-L194 HydrophobicContact CG2-CG 4.42Å; L194-A200 HydrophobicContact CD2-CB 3.99Å; L194-M206 HydrophobicContact CD1-CB 4.47Å; L194-M206 VanDerWaalsContact CD1-O 3.28Å; L194-M206 WeakPolarHBondContact CD1-O 3.19Å; L194-M206 HydrophobicContact CD2-CB 4.17Å
195V88.6Confident87.2Confident50 Ų5052.4 Ų52.430%0.30330%0.298SS..  trans-84.5122177.1-177.80000108.4G176 D197 G198 A201G176-V195 WeakPolarHBondContact O-CB 3.31Å; G176-V195 PolarHBondContact O-N 3.37Å; V195-D197 PolarHBondContact O-N 2.76Å; V195-G198 WeakPolarHBondContact O-CA 3.48Å; V195-G198 PolarHBondContact O-N 3.43Å; V195-A201 VanDerWaalsContact O-CB 3.31Å; V195-A201 WeakPolarHBondContact O-CB 3.47Å
196L79.3Confident88.2Confident150 Ų15050.3 Ų50.379%0.78528%0.284SS*.THydrogen-bonded Turntrans-53.5135.6172.1-68.3165.1000110.4G198L196-G198 PolarHBondContact O-N 2.95Å; L196-G198 VanDerWaalsContact O-N 3.12Å
197D81.3Confident88.5Confident140 Ų14050.9 Ų50.975%0.74928%0.284SS*.THydrogen-bonded Turntrans57.413.1-170.8-51-38.7000115.5V195V195-D197 PolarHBondContact O-N 2.76Å
198G87.2Confident88.6Confident6 Ų652 Ų526%0.06230%0.295CS..SBendtrans-83155.5172.900000113V195 L196 A200 A201 L202V195-G198 WeakPolarHBondContact O-CA 3.48Å; V195-G198 PolarHBondContact O-N 3.43Å; L196-G198 PolarHBondContact O-N 2.95Å; L196-G198 VanDerWaalsContact O-N 3.12Å; G198-A200 VanDerWaalsContact C-N 3.31Å; G198-A200 PolarHBondContact O-N 3.28Å; G198-A200 VanDerWaalsContact O-N 3.16Å; G198-A201 PolarHBondContact O-N 3.16Å; G198-L202 WeakPolarHBondContact O-CG 3.3Å; G198-L202 PolarHBondContact O-N 3.06Å
199P90.8Very high88.4Confident24 Ų2452 Ų5216%0.15630%0.297CS..Hα-helixtrans-51.5-40.1-176.4-29.333.9000115.7R169 F175 L202 D203R169-P199 WeakPolarHBondContact O-CB 3.24Å; R169-P199 VanDerWaalsContact O-CG 3.27Å; R169-P199 WeakPolarHBondContact O-CG 3.44Å; F175-P199 WeakPolarHBondContact O-CB 3.36Å; F175-P199 WeakPolarHBondContact O-CD 3.5Å; P199-L202 PolarHBondContact O-N 3.37Å; P199-D203 PolarHBondContact O-N 2.84Å
200A91.5Very high88.5Confident0 Ų051.7 Ų51.70%030%0.296CS..Hα-helixtrans-64.9-42.6175.400000113.6L168 F175 F177 L194 G198 L202 D203 G204 M206L168-A200 HydrophobicContact CD1-CB 3.84Å; L168-A200 HydrophobicContact CD2-CB 4.43Å; F175-A200 PolarHBondContact O-N 2.82Å; F177-A200 HydrophobicContact CB-CB 4.19Å; F177-A200 HydrophobicContact CD1-CB 3.89Å; L194-A200 HydrophobicContact CD2-CB 3.99Å; G198-A200 VanDerWaalsContact C-N 3.31Å; G198-A200 PolarHBondContact O-N 3.28Å; G198-A200 VanDerWaalsContact O-N 3.16Å; A200-L202 VanDerWaalsContact C-N 3.32Å; A200-D203 PolarHBondContact O-N 3.37Å; A200-G204 PolarHBondContact O-N 2.98Å; A200-G204 VanDerWaalsContact O-N 3.14Å; A200-M206 HydrophobicContact CB-SD 3.63Å
201A88.3Confident88.6Confident39 Ų3951.4 Ų51.432%0.32229%0.294SS..Hα-helixtrans-68.2-32.3176.400000112.1V195 G198 G204V195-A201 VanDerWaalsContact O-CB 3.31Å; V195-A201 WeakPolarHBondContact O-CB 3.47Å; G198-A201 PolarHBondContact O-N 3.16Å; A201-G204 PolarHBondContact O-N 3.16Å
202L88.8Confident88.7Confident130 Ų13051.5 Ų51.568%0.68130%0.295SS*.Hα-helixtrans-74.4-28.8176-67.3172.8000113.4G198 P199 A200G198-L202 WeakPolarHBondContact O-CG 3.3Å; G198-L202 PolarHBondContact O-N 3.06Å; P199-L202 PolarHBondContact O-N 3.37Å; A200-L202 VanDerWaalsContact C-N 3.32Å
203D91.1Very high89Confident50 Ų5049 Ų4927%0.26728%0.284SS..Hα-helixtrans-75.6-29.5171.4-174.174.9000112.5T166 L168 P199 A200 K205T166-D203 WeakPolarHBondContact CB-OD2 3.21Å; T166-D203 PolarHBondContact OG1-OD2 3.02Å; L168-D203 HydrophobicContact CD2-CB 3.67Å; P199-D203 PolarHBondContact O-N 2.84Å; A200-D203 PolarHBondContact O-N 3.37Å; D203-K205 PolarHBondContact O-N 3.45Å; D203-K205 VanDerWaalsContact O-N 3.09Å; D203-K205 IonicContact OD1-NZ 3.79Å; D203-K205 PolarHBondContact OD1-NZ 2.81Å; D203-K205 WeakPolarHBondContact OD2-CB 3.41Å; D203-K205 VanDerWaalsContact OD2-CG 3.26Å; D203-K205 WeakPolarHBondContact OD2-CG 3.45Å; D203-K205 IonicContact OD2-NZ 2.73Å; D203-K205 PolarHBondContact OD2-NZ 2.84Å
204G90Very high89.4Confident54 Ų5447.2 Ų47.256%0.55727%0.272SS*.  trans70.13.7168.100000116.2A200 A201A200-G204 PolarHBondContact O-N 2.98Å; A200-G204 VanDerWaalsContact O-N 3.14Å; A201-G204 PolarHBondContact O-N 3.16Å
205K90.4Very high89.7Confident91 Ų9144.7 Ų44.740%0.39626%0.258SS..  trans-87.9-26.5177.5-59.1-173.4-158.180.60113.8I164 H165 D203 R247I164-K205 HydrophobicContact CG2-CB 4.03Å; H165-K205 WeakPolarHBondContact O-CD 3.43Å; D203-K205 PolarHBondContact O-N 3.45Å; D203-K205 VanDerWaalsContact O-N 3.09Å; D203-K205 IonicContact OD1-NZ 3.79Å; D203-K205 PolarHBondContact OD1-NZ 2.81Å; D203-K205 WeakPolarHBondContact OD2-CB 3.41Å; D203-K205 VanDerWaalsContact OD2-CG 3.26Å; D203-K205 WeakPolarHBondContact OD2-CG 3.45Å; D203-K205 IonicContact OD2-NZ 2.73Å; D203-K205 PolarHBondContact OD2-NZ 2.84Å; K205-R247 PolarHBondContact O-NH2 2.91Å
206M92.7Very high89.7Confident5 Ų545.1 Ų45.13%0.02526%0.259CS..  trans-82.4144.5-178.1-58.5-176.560.600111T166 L168 F177 I191 L194 A200 L245T166-M206 HydrophobicContact CG2-CG 4.02Å; T166-M206 HydrophobicContact CG2-SD 4.08Å; L168-M206 HydrophobicContact CD1-SD 3.72Å; L168-M206 HydrophobicContact CD2-SD 4.46Å; L168-M206 HydrophobicContact CG-SD 4.45Å; F177-M206 HydrophobicContact CD1-CE 4.06Å; F177-M206 HydrophobicContact CD1-SD 4.48Å; F177-M206 HydrophobicContact CD2-CE 4.45Å; F177-M206 HydrophobicContact CE1-CE 4.27Å; F177-M206 HydrophobicContact CG-CE 4.14Å; I191-M206 HydrophobicContact CD1-CE 3.35Å; I191-M206 HydrophobicContact CG1-CE 3.63Å; L194-M206 HydrophobicContact CD1-CB 4.47Å; L194-M206 VanDerWaalsContact CD1-O 3.28Å; L194-M206 WeakPolarHBondContact CD1-O 3.19Å; L194-M206 HydrophobicContact CD2-CB 4.17Å; A200-M206 HydrophobicContact CB-SD 3.63Å; M206-L245 HydrophobicContact CB-CD1 4.39Å; M206-L245 HydrophobicContact CE-CD1 3.82Å; M206-L245 HydrophobicContact CG-CD1 3.6Å; M206-L245 HydrophobicContact SD-CD1 4.12Å
207E88Confident90.1Very high99 Ų9945.5 Ų45.546%0.46326%0.261SS..  trans-131.3162.2171.1-78.9158.1-140.300110.6G209 D210 R247E207-G209 PolarHBondContact O-N 3.05Å; E207-D210 PolarHBondContact N-OD2 2.87Å; E207-D210 WeakPolarHBondContact O-CB 3.38Å; E207-D210 PolarHBondContact O-N 2.81Å; E207-R247 IonicContact OE1-CZ 3.3Å; E207-R247 IonicContact OE1-NH1 2.71Å; E207-R247 PolarHBondContact OE1-NH1 3.16Å; E207-R247 IonicContact OE1-NH2 3.27Å; E207-R247 IonicContact OE2-CZ 3.79Å; E207-R247 IonicContact OE2-NE 3.22Å; E207-R247 PolarHBondContact OE2-NE 3.33Å; E207-R247 IonicContact OE2-NH1 2.93Å; E207-R247 PolarHBondContact OE2-NH1 3.02Å; E207-R247 IonicContact OE2-NH2 2.95Å
208T86.9Confident90.4Very high77 Ų7742.3 Ų42.347%0.47225%0.247SC..THydrogen-bonded Turntrans-66.5130.1172.8-65.90000109.7I191 K192 L251I191-T208 CarbonylContact O-C 3.59Å; I191-T208 WeakPolarHBondContact O-CA 3.42Å; K192-T208 VanDerWaalsContact O-CG2 3.27Å; K192-T208 WeakPolarHBondContact O-CG2 3.36Å; T208-L251 HydrophobicContact CG2-CD1 3.57Å; T208-L251 HydrophobicContact CG2-CG 4.47Å
209G85.6Confident90.6Very high8 Ų844.3 Ų44.38%0.08226%0.26CS..THydrogen-bonded Turntrans102.1-16.1-173.100000115.4Q190 I191 E207 V211Q190-G209 PolarHBondContact NE2-O 3.1Å; I191-G209 PolarHBondContact O-N 3.19Å; E207-G209 PolarHBondContact O-N 3.05Å; G209-V211 PolarHBondContact O-N 3.3Å
210D93.1Very high90.7Very high1 Ų143.2 Ų43.21%0.00525%0.252CS..PPolyproline II helixtrans-59.8126.7177.3-74.7-16.3000111.2Q190 I191 E207 L245 R247Q190-D210 CarbonylContact C-O 3.56Å; Q190-D210 VanDerWaalsContact CA-O 3.29Å; Q190-D210 WeakPolarHBondContact CA-O 3.4Å; I191-D210 HydrophobicContact CG1-CB 4.06Å; I191-D210 WeakPolarHBondContact CG1-O 3.21Å; I191-D210 PolarHBondContact N-O 2.99Å; E207-D210 PolarHBondContact N-OD2 2.87Å; E207-D210 WeakPolarHBondContact O-CB 3.38Å; E207-D210 PolarHBondContact O-N 2.81Å; D210-L245 HydrophobicContact CB-CB 4.32Å; D210-L245 HydrophobicContact CB-CD1 4.4Å; D210-R247 VanDerWaalsContact OD1-CB 3.23Å; D210-R247 WeakPolarHBondContact OD1-CB 3.46Å; D210-R247 VanDerWaalsContact OD1-CG 3.3Å; D210-R247 WeakPolarHBondContact OD1-CG 3.45Å; D210-R247 IonicContact OD1-CZ 2.74Å; D210-R247 IonicContact OD1-NE 2.81Å; D210-R247 PolarHBondContact OD1-NE 2.82Å; D210-R247 IonicContact OD1-NH2 3.74Å; D210-R247 PolarHBondContact OD1-NH2 2.91Å; D210-R247 IonicContact OD2-CZ 3.98Å; D210-R247 IonicContact OD2-NE 3.63Å; D210-R247 IonicContact OD2-NH2 2.7Å; D210-R247 PolarHBondContact OD2-NH2 3.02Å
211V93Very high90.5Very high0 Ų043.8 Ų43.80%026%0.256CS..EExtended strand (participates in β ladder)trans-75.9134.8174176.20000109.3F188 L189 Q190 G209 L221 L245 C246 Y249F188-V211 HydrophobicContact CB-CG1 4.04Å; F188-V211 HydrophobicContact CB-CG2 4.08Å; F188-V211 HydrophobicContact CD1-CG1 3.76Å; F188-V211 HydrophobicContact CG-CG1 4.1Å; F188-V211 HydrophobicContact CG-CG2 4.18Å; L189-V211 CarbonylContact O-C 3.58Å; L189-V211 WeakPolarHBondContact O-CA 3.37Å; Q190-V211 HydrophobicContact CG-CB 4.38Å; Q190-V211 HydrophobicContact CG-CG2 3.7Å; G209-V211 PolarHBondContact O-N 3.3Å; V211-L221 HydrophobicContact CG1-CD2 4.03Å; V211-L245 CarbonylContact O-C 3.58Å; V211-L245 WeakPolarHBondContact O-CA 3.37Å; V211-L245 WeakPolarHBondContact O-CB 3.07Å; V211-C246 HydrophobicContact CB-CB 4.45Å; V211-C246 PolarHBondContact N-O 3.24Å; V211-C246 PolarHBondContact O-N 3.12Å; V211-Y249 HydrophobicContact CG2-CD2 3.6Å; V211-Y249 HydrophobicContact CG2-CE2 4.46Å; V211-Y249 HydrophobicContact CG2-CG 3.71Å
212I94.4Very high90.3Very high3 Ų342.6 Ų42.62%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-81.3116.7171.6-46.9179.9000108.9F177 V179 L189 I191 V215 V220 F232 L245F177-I212 HydrophobicContact CE2-CD1 4.33Å; V179-I212 HydrophobicContact CG1-CD1 4.17Å; V179-I212 HydrophobicContact CG2-CD1 3.87Å; L189-I212 PolarHBondContact O-N 2.79Å; I191-I212 HydrophobicContact CD1-CD1 4Å; I191-I212 HydrophobicContact CD1-CG1 4.02Å; I212-V215 HydrophobicContact CG2-CG2 3.99Å; I212-V220 HydrophobicContact CB-CG2 4.25Å; I212-V220 HydrophobicContact CG2-CG2 3.68Å; I212-F232 HydrophobicContact CD1-CE2 4.24Å; I212-L245 HydrophobicContact CB-CD2 4.19Å; I212-L245 HydrophobicContact CG1-CD2 4.06Å; I212-L245 HydrophobicContact CG2-CD2 4.11Å
213V93.8Very high90.2Very high0 Ų038.9 Ų38.90%023%0.226CC..EExtended strand (participates in β ladder)trans-98-50.8-176.4-175.80000111.4P156 L159 F163 C219 V220 L221 E244 C246P156-V213 HydrophobicContact CB-CG1 3.88Å; P156-V213 HydrophobicContact CG-CG1 3.91Å; L159-V213 HydrophobicContact CD1-CB 4.44Å; L159-V213 HydrophobicContact CD1-CG1 4.06Å; L159-V213 HydrophobicContact CD1-CG2 3.52Å; F163-V213 HydrophobicContact CE1-CG1 4.23Å; F163-V213 HydrophobicContact CE1-CG2 4.29Å; V213-C219 CarbonylContact O-C 3.57Å; V213-C219 WeakPolarHBondContact O-CA 3.43Å; V213-V220 PolarHBondContact O-N 3.17Å; V213-L221 HydrophobicContact CG1-CD1 4.21Å; V213-L221 HydrophobicContact CG1-CD2 4.49Å; V213-L221 HydrophobicContact CG1-CG 4.25Å; V213-E244 WeakPolarHBondContact CA-O 3.35Å; V213-E244 HydrophobicContact CB-CB 4.33Å; V213-E244 HydrophobicContact CB-CG 4.16Å; V213-E244 WeakPolarHBondContact CB-O 3.27Å; V213-E244 HydrophobicContact CG1-CG 4.49Å; V213-E244 PolarHBondContact N-O 3.34Å; V213-C246 HydrophobicContact CG2-CB 3.63Å
214S93.5Very high90.1Very high12 Ų1238.3 Ų38.38%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-144.1154.2178.674.80000112.9T218 L243 E244S214-T218 CarbonylContact C-O 3.07Å; S214-T218 WeakPolarHBondContact CA-O 3.5Å; S214-T218 WeakPolarHBondContact CB-O 3.23Å; S214-L243 WeakPolarHBondContact O-CA 3.36Å; S214-E244 PolarHBondContact N-O 3.5Å; S214-E244 VanDerWaalsContact N-O 3.17Å; S214-E244 PolarHBondContact O-N 3.01Å; S214-E244 WeakPolarHBondContact OG-CB 3.46Å; S214-E244 PolarHBondContact OG-OE2 2.91Å
215V94.4Very high89.8Confident0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-134.4113.8-178.3-174.60000108.5I212 T218 V220 I231 F232 V241 L243I212-V215 HydrophobicContact CG2-CG2 3.99Å; V215-T218 PolarHBondContact N-O 3.42Å; V215-T218 VanDerWaalsContact O-CB 3.3Å; V215-T218 WeakPolarHBondContact O-CB 3.03Å; V215-T218 PolarHBondContact O-N 2.82Å; V215-T218 VanDerWaalsContact O-N 3.13Å; V215-V220 HydrophobicContact CB-CG1 4.19Å; V215-V220 HydrophobicContact CG2-CG1 3.78Å; V215-V220 HydrophobicContact CG2-CG2 3.99Å; V215-I231 HydrophobicContact CB-CG2 4.17Å; V215-I231 HydrophobicContact CG1-CG2 3.6Å; V215-F232 HydrophobicContact CG1-CE1 4.21Å; V215-F232 HydrophobicContact CG1-CZ 4.34Å; V215-F232 HydrophobicContact CG2-CE2 4.4Å; V215-F232 HydrophobicContact CG2-CZ 4.04Å; V215-V241 HydrophobicContact CG1-CG2 3.55Å; V215-L243 HydrophobicContact CB-CD2 4.08Å; V215-L243 HydrophobicContact CG1-CD2 3.82Å; V215-L243 HydrophobicContact CG2-CD2 3.73Å
216N90.4Very high89.5Confident59 Ų5936.8 Ų36.832%0.31621%0.214SC..THydrogen-bonded Turntrans4660.9-170.4-62.1-25.4000111.5T218 V241 D242N216-T218 PolarHBondContact O-N 2.82Å; N216-T218 PolarHBondContact O-OG1 2.88Å; N216-V241 WeakPolarHBondContact OD1-CA 3.17Å; N216-V241 WeakPolarHBondContact OD1-CG2 3.47Å; N216-D242 PolarHBondContact N-O 3.38Å; N216-D242 PolarHBondContact OD1-N 2.81Å
217D86.4Confident89.2Confident157 Ų15739.9 Ų39.984%0.8423%0.228SC*.THydrogen-bonded Turntrans60-0.5-178.9-47-48.2000115.8
218T88.6Confident89.2Confident74 Ų7435.3 Ų35.345%0.45421%0.207SC..EExtended strand (participates in β ladder)trans-89113.2176.1-53.20000109.3S214 V215 N216 V220S214-T218 CarbonylContact C-O 3.07Å; S214-T218 WeakPolarHBondContact CA-O 3.5Å; S214-T218 WeakPolarHBondContact CB-O 3.23Å; V215-T218 PolarHBondContact N-O 3.42Å; V215-T218 VanDerWaalsContact O-CB 3.3Å; V215-T218 WeakPolarHBondContact O-CB 3.03Å; V215-T218 PolarHBondContact O-N 2.82Å; V215-T218 VanDerWaalsContact O-N 3.13Å; N216-T218 PolarHBondContact O-N 2.82Å; N216-T218 PolarHBondContact O-OG1 2.88Å; T218-V220 PolarHBondContact O-N 2.93Å
219C90.5Very high89.3Confident47 Ų4734 Ų3432%0.31820%0.199SC..EExtended strand (participates in β ladder)trans-60.3126173.4-1760000110.4V213 H223V213-C219 CarbonylContact O-C 3.57Å; V213-C219 WeakPolarHBondContact O-CA 3.43Å; C219-H223 PolarHBondContact O-CE1 3.14Å
220V92.3Very high89.3Confident1 Ų140.2 Ų40.21%0.00622%0.224CC..  trans-109.54.5179.7-630000113.7I212 V213 V215 T218 G222 H223 V228 I231I212-V220 HydrophobicContact CB-CG2 4.25Å; I212-V220 HydrophobicContact CG2-CG2 3.68Å; V213-V220 PolarHBondContact O-N 3.17Å; V215-V220 HydrophobicContact CB-CG1 4.19Å; V215-V220 HydrophobicContact CG2-CG1 3.78Å; V215-V220 HydrophobicContact CG2-CG2 3.99Å; T218-V220 PolarHBondContact O-N 2.93Å; V220-G222 PolarHBondContact O-N 3.49Å; V220-H223 HydrophobicContact CB-CB 4.42Å; V220-H223 VanDerWaalsContact O-CB 3.31Å; V220-H223 WeakPolarHBondContact O-CB 3.2Å; V220-H223 PolarHBondContact O-N 2.88Å; V220-V228 HydrophobicContact CB-CG2 3.79Å; V220-V228 HydrophobicContact CG1-CG2 4.09Å; V220-V228 HydrophobicContact CG2-CG2 4.36Å; V220-I231 HydrophobicContact CG1-CD1 3.89Å
221L88.8Confident89.2Confident13 Ų1342.1 Ų42.17%0.06823%0.233CC..THydrogen-bonded Turntrans-58132.9169.4-58178.2000109.8P156 L159 F188 V211 V213 H223P156-L221 HydrophobicContact CB-CD1 4.4Å; P156-L221 HydrophobicContact CG-CD1 3.89Å; L159-L221 HydrophobicContact CD1-CD1 3.92Å; L159-L221 HydrophobicContact CD1-CD2 4.24Å; L159-L221 HydrophobicContact CD2-CD1 4.39Å; L159-L221 HydrophobicContact CG-CD1 4.25Å; F188-L221 HydrophobicContact CD1-CD2 4.17Å; F188-L221 HydrophobicContact CE1-CD2 4.26Å; V211-L221 HydrophobicContact CG1-CD2 4.03Å; V213-L221 HydrophobicContact CG1-CD1 4.21Å; V213-L221 HydrophobicContact CG1-CD2 4.49Å; V213-L221 HydrophobicContact CG1-CG 4.25Å; L221-H223 PolarHBondContact O-N 3.47Å
222G83.3Confident89.1Confident14 Ų1443.1 Ų43.114%0.14424%0.238CC..THydrogen-bonded Turntrans68.69.9-176.800000115.5P185 V220P185-G222 WeakPolarHBondContact O-CA 3.44Å; V220-G222 PolarHBondContact O-N 3.49Å
223H87.2Confident88.8Confident52 Ų5249.1 Ų49.124%0.24127%0.266CS..  trans-79.3149.3159.7-69.351.8000109.2L189 C219 V220 L221 Q227 V228L189-H223 WeakPolarHBondContact CD1-O 3.41Å; C219-H223 PolarHBondContact O-CE1 3.14Å; V220-H223 HydrophobicContact CB-CB 4.42Å; V220-H223 VanDerWaalsContact O-CB 3.31Å; V220-H223 WeakPolarHBondContact O-CB 3.2Å; V220-H223 PolarHBondContact O-N 2.88Å; L221-H223 PolarHBondContact O-N 3.47Å; H223-Q227 HydrophobicContact CB-CB 4.15Å; H223-V228 HydrophobicContact CB-CG2 3.71Å
224T88.1Confident88.5Confident37 Ų3753.6 Ų53.623%0.22730%0.297CS..  trans-75.5158.7170.759.30000111.8G182 P185 A226 Q227 V228G182-T224 CarbonylContact O-C 3.59Å; G182-T224 WeakPolarHBondContact O-CA 3.38Å; G182-T224 WeakPolarHBondContact O-CB 3.3Å; P185-T224 HydrophobicContact CB-CG2 4.49Å; T224-A226 PolarHBondContact O-N 3.24Å; T224-Q227 WeakPolarHBondContact O-CB 3.47Å; T224-Q227 PolarHBondContact O-N 3.07Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.27Å; T224-Q227 PolarHBondContact OG1-N 3.21Å; T224-Q227 PolarHBondContact OG1-OE1 3.04Å; T224-V228 PolarHBondContact O-N 3.44Å; T224-V228 VanDerWaalsContact O-N 3.12Å
225H84.8Confident88.4Confident56 Ų5653.7 Ų53.726%0.25930%0.296SS..Hα-helixtrans-47.6-45.8172.7-166.4105.4000111.7V179 G181 G182 Q227 V228 V229V179-H225 PolarHBondContact O-CE1 3.05Å; G181-H225 PolarHBondContact O-ND1 2.76Å; G181-H225 VanDerWaalsContact O-ND1 3.09Å; G182-H225 PolarHBondContact O-N 3.07Å; H225-Q227 VanDerWaalsContact C-N 3.3Å; H225-Q227 PolarHBondContact O-N 2.83Å; H225-V228 PolarHBondContact O-N 2.77Å; H225-V229 WeakPolarHBondContact O-CB 3.46Å; H225-V229 VanDerWaalsContact O-CG2 3.3Å; H225-V229 WeakPolarHBondContact O-CG2 3.39Å; H225-V229 PolarHBondContact O-N 3.39Å
226A83.8Confident88.1Confident57 Ų5757.9 Ų57.947%0.47132%0.324SS..Hα-helixtrans-67.7-22.9179.600000114.4T224 K230T224-A226 PolarHBondContact O-N 3.24Å; A226-K230 WeakPolarHBondContact O-CD 3.46Å; A226-K230 VanDerWaalsContact O-CG 3.27Å; A226-K230 WeakPolarHBondContact O-CG 3.34Å
227Q86.6Confident88.1Confident71 Ų7160.8 Ų60.833%0.33234%0.338SS..Hα-helixtrans-78.7-48.1171.9-74.4162.2-7200110.7H223 T224 H225 V229 K230 I231H223-Q227 HydrophobicContact CB-CB 4.15Å; T224-Q227 WeakPolarHBondContact O-CB 3.47Å; T224-Q227 PolarHBondContact O-N 3.07Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.27Å; T224-Q227 PolarHBondContact OG1-N 3.21Å; T224-Q227 PolarHBondContact OG1-OE1 3.04Å; H225-Q227 VanDerWaalsContact C-N 3.3Å; H225-Q227 PolarHBondContact O-N 2.83Å; Q227-V229 PolarHBondContact O-N 3.15Å; Q227-K230 WeakPolarHBondContact O-CB 3.16Å; Q227-K230 PolarHBondContact O-N 3.43Å; Q227-I231 PolarHBondContact O-N 3.4Å; Q227-I231 VanDerWaalsContact O-N 3.16Å
228V87.6Confident88.1Confident2 Ų254.5 Ų54.51%0.01231%0.311CS..Hα-helixtrans-67.4-36.4-178.4-178.90000111.7L189 V220 H223 T224 H225 K230 I231 F232L189-V228 HydrophobicContact CD2-CB 3.49Å; L189-V228 VanDerWaalsContact CD2-CB 3.49Å; L189-V228 HydrophobicContact CD2-CG1 3.87Å; L189-V228 HydrophobicContact CD2-CG2 3.5Å; L189-V228 VanDerWaalsContact CD2-CG2 3.5Å; V220-V228 HydrophobicContact CB-CG2 3.79Å; V220-V228 HydrophobicContact CG1-CG2 4.09Å; V220-V228 HydrophobicContact CG2-CG2 4.36Å; H223-V228 HydrophobicContact CB-CG2 3.71Å; T224-V228 PolarHBondContact O-N 3.44Å; T224-V228 VanDerWaalsContact O-N 3.12Å; H225-V228 PolarHBondContact O-N 2.77Å; V228-K230 VanDerWaalsContact C-N 3.3Å; V228-K230 PolarHBondContact O-N 2.78Å; V228-I231 PolarHBondContact O-N 2.79Å; V228-I231 VanDerWaalsContact O-N 3.16Å; V228-F232 HydrophobicContact CG1-CD2 3.79Å; V228-F232 HydrophobicContact CG1-CE2 3.54Å; V228-F232 WeakPolarHBondContact O-CD2 3.42Å; V228-F232 PolarHBondContact O-N 2.86Å
229V88.4Confident88.2Confident50 Ų5052.6 Ų52.630%0.30330%0.302SS..Hα-helixtrans-59.7-37.4170.21670000112H225 Q227 F232 Q233H225-V229 WeakPolarHBondContact O-CB 3.46Å; H225-V229 VanDerWaalsContact O-CG2 3.3Å; H225-V229 WeakPolarHBondContact O-CG2 3.39Å; H225-V229 PolarHBondContact O-N 3.39Å; Q227-V229 PolarHBondContact O-N 3.15Å; V229-F232 PolarHBondContact O-N 3.34Å; V229-Q233 HydrophobicContact CG1-CG 4.24Å; V229-Q233 WeakPolarHBondContact O-CB 3.45Å; V229-Q233 VanDerWaalsContact O-CG 3.22Å; V229-Q233 WeakPolarHBondContact O-CG 3.41Å; V229-Q233 PolarHBondContact O-N 2.91Å
230K87.5Confident88.2Confident138 Ų13852.9 Ų52.960%0.631%0.305SS*.Hα-helixtrans-66.1-37.8174.9-73.6167-174.2171.40112.3A226 Q227 V228 Q233 S234A226-K230 WeakPolarHBondContact O-CD 3.46Å; A226-K230 VanDerWaalsContact O-CG 3.27Å; A226-K230 WeakPolarHBondContact O-CG 3.34Å; Q227-K230 WeakPolarHBondContact O-CB 3.16Å; Q227-K230 PolarHBondContact O-N 3.43Å; V228-K230 VanDerWaalsContact C-N 3.3Å; V228-K230 PolarHBondContact O-N 2.78Å; K230-Q233 PolarHBondContact O-N 3.41Å; K230-S234 PolarHBondContact O-N 3.45Å
231I90.4Very high88.3Confident41 Ų4152.9 Ų52.921%0.2131%0.305CS..Hα-helixtrans-63.2-46.7174.4-58.7170.1000109.8V215 V220 Q227 V228 Q233 S234 I235V215-I231 HydrophobicContact CB-CG2 4.17Å; V215-I231 HydrophobicContact CG1-CG2 3.6Å; V220-I231 HydrophobicContact CG1-CD1 3.89Å; Q227-I231 PolarHBondContact O-N 3.4Å; Q227-I231 VanDerWaalsContact O-N 3.16Å; V228-I231 PolarHBondContact O-N 2.79Å; V228-I231 VanDerWaalsContact O-N 3.16Å; I231-Q233 VanDerWaalsContact C-N 3.3Å; I231-Q233 PolarHBondContact O-N 3.1Å; I231-S234 PolarHBondContact O-N 3.34Å; I231-S234 PolarHBondContact O-OG 2.95Å; I231-I235 WeakPolarHBondContact O-CD1 3.43Å
232F90.9Very high88.6Confident21 Ų2155.2 Ų55.29%0.09232%0.317CS..Hα-helixtrans-66.7-27.7175-75.4-59.9000113.9K170 F175 F177 I212 V215 V228 V229 V241 L243K170-F232 PolarHBondContact NZ-O 3.21Å; F175-F232 HydrophobicContact CD2-CB 4.47Å; F175-F232 AromaticContact CD2-CD1 3.71Å; F175-F232 HydrophobicContact CD2-CD1 3.71Å; F175-F232 HydrophobicContact CD2-CE1 4.37Å; F175-F232 HydrophobicContact CD2-CG 4.41Å; F175-F232 HydrophobicContact CE2-CB 4.17Å; F175-F232 AromaticContact CE2-CD1 3.53Å; F175-F232 HydrophobicContact CE2-CD1 3.53Å; F175-F232 HydrophobicContact CE2-CE1 4.39Å; F175-F232 HydrophobicContact CE2-CG 4.29Å; F175-F232 HydrophobicContact CZ-CD1 4.24Å; F177-F232 HydrophobicContact CE2-CE2 4.38Å; F177-F232 HydrophobicContact CE2-CZ 4.39Å; F177-F232 AromaticContact CZ-CE1 3.92Å; F177-F232 HydrophobicContact CZ-CE1 3.92Å; F177-F232 HydrophobicContact CZ-CE2 4.02Å; F177-F232 AromaticContact CZ-CZ 3.65Å; F177-F232 HydrophobicContact CZ-CZ 3.65Å; I212-F232 HydrophobicContact CD1-CE2 4.24Å; V215-F232 HydrophobicContact CG1-CE1 4.21Å; V215-F232 HydrophobicContact CG1-CZ 4.34Å; V215-F232 HydrophobicContact CG2-CE2 4.4Å; V215-F232 HydrophobicContact CG2-CZ 4.04Å; V228-F232 HydrophobicContact CG1-CD2 3.79Å; V228-F232 HydrophobicContact CG1-CE2 3.54Å; V228-F232 WeakPolarHBondContact O-CD2 3.42Å; V228-F232 PolarHBondContact O-N 2.86Å; V229-F232 PolarHBondContact O-N 3.34Å; F232-V241 HydrophobicContact CE1-CG1 4.38Å; F232-V241 HydrophobicContact CE1-CG2 4.3Å; F232-L243 HydrophobicContact CE1-CD1 4.23Å; F232-L243 HydrophobicContact CE1-CD2 3.72Å; F232-L243 HydrophobicContact CZ-CD1 4.29Å; F232-L243 HydrophobicContact CZ-CD2 3.61Å
233Q86.8Confident89.2Confident129 Ų12954.8 Ų54.860%0.60331%0.312SS*.Hα-helixtrans-73.6-42.5175.3-78.6174.9100112.6K170 V229 K230 I231 I235K170-Q233 PolarHBondContact NZ-O 2.83Å; V229-Q233 HydrophobicContact CG1-CG 4.24Å; V229-Q233 WeakPolarHBondContact O-CB 3.45Å; V229-Q233 VanDerWaalsContact O-CG 3.22Å; V229-Q233 WeakPolarHBondContact O-CG 3.41Å; V229-Q233 PolarHBondContact O-N 2.91Å; K230-Q233 PolarHBondContact O-N 3.41Å; I231-Q233 VanDerWaalsContact C-N 3.3Å; I231-Q233 PolarHBondContact O-N 3.1Å; Q233-I235 VanDerWaalsContact C-N 3.33Å; Q233-I235 PolarHBondContact O-N 3.22Å
234S88.9Confident89.6Confident94 Ų9454.2 Ų54.266%0.65731%0.309SS*.Hα-helixtrans-66.6-30-174.768.40000114.1K230 I231K230-S234 PolarHBondContact O-N 3.45Å; I231-S234 PolarHBondContact O-N 3.34Å; I231-S234 PolarHBondContact O-OG 2.95Å
235I90Very high89.9Confident14 Ų1452.5 Ų52.57%0.07230%0.298CS..SBendtrans-62.1125.5175.2-63.7154.7000109.3K170 F175 I231 Q233 A239 V241K170-I235 HydrophobicContact CD-CB 4.5Å; K170-I235 HydrophobicContact CD-CG2 4.36Å; K170-I235 WeakPolarHBondContact CD-O 3.44Å; K170-I235 WeakPolarHBondContact CE-O 3.45Å; K170-I235 PolarHBondContact NZ-O 3.26Å; F175-I235 HydrophobicContact CZ-CB 4.28Å; F175-I235 HydrophobicContact CZ-CD1 4.22Å; F175-I235 HydrophobicContact CZ-CG2 3.98Å; I231-I235 WeakPolarHBondContact O-CD1 3.43Å; Q233-I235 VanDerWaalsContact C-N 3.33Å; Q233-I235 PolarHBondContact O-N 3.22Å; I235-A239 HydrophobicContact CG2-CB 4.15Å; I235-V241 HydrophobicContact CD1-CB 3.88Å; I235-V241 HydrophobicContact CD1-CG2 3.53Å
236P89.1Confident90.3Very high88 Ų8849.8 Ų49.857%0.57129%0.286SS*.PPolyproline II helixtrans-73.6155.8-17626.8-32.2000112.9G238 A239P236-G238 PolarHBondContact O-N 3.1Å; P236-A239 HydrophobicContact CG-CB 3.86Å; P236-A239 WeakPolarHBondContact O-CB 3.3Å; P236-A239 PolarHBondContact O-N 3.13Å
237I90Very high90.7Very high120 Ų12049.8 Ų49.862%0.61527%0.274SS*.THydrogen-bonded Turntrans-61.7133.4176.1-63.6167.3000109.2A239I237-A239 VanDerWaalsContact C-N 3.33Å
238G86Confident90.4Very high26 Ų2649.1 Ų49.127%0.26829%0.286SS..THydrogen-bonded Turntrans86.6-9.4-177.800000115.2R169 K170 P236R169-G238 PolarHBondContact NE-O 2.66Å; R169-G238 PolarHBondContact NH2-O 2.93Å; R169-G238 VanDerWaalsContact NH2-O 3.12Å; K170-G238 PolarHBondContact O-N 3.28Å; P236-G238 PolarHBondContact O-N 3.1Å
239A90.9Very high90.2Very high34 Ų3450.6 Ų50.628%0.28129%0.292SS..  trans-80.9164.2166.200000111.4K170 I235 P236 I237K170-A239 PolarHBondContact N-O 2.68Å; I235-A239 HydrophobicContact CG2-CB 4.15Å; P236-A239 HydrophobicContact CG-CB 3.86Å; P236-A239 WeakPolarHBondContact O-CB 3.3Å; P236-A239 PolarHBondContact O-N 3.13Å; I237-A239 VanDerWaalsContact C-N 3.33Å
240S90.9Very high89.4Confident53 Ų5352.8 Ų52.837%0.37131%0.307SS..EExtended strand (participates in β ladder)trans-102.2155.1174-62.90000112L168L168-S240 CarbonylContact O-C 3.55Å; L168-S240 WeakPolarHBondContact O-CA 3.33Å
241V94.7Very high88.7Confident0 Ų049 Ų490%029%0.294CS..EExtended strand (participates in β ladder)trans-121.3136.517067.70000108.3K167 L168 F175 V215 N216 F232 I235 L243K167-V241 CarbonylContact C-O 3.58Å; K167-V241 VanDerWaalsContact CA-O 3.26Å; K167-V241 WeakPolarHBondContact CA-O 3.46Å; L168-V241 HydrophobicContact CB-CG1 3.98Å; L168-V241 PolarHBondContact N-O 3.02Å; L168-V241 PolarHBondContact O-N 3.36Å; F175-V241 HydrophobicContact CD1-CG1 3.77Å; F175-V241 HydrophobicContact CE1-CB 3.96Å; F175-V241 HydrophobicContact CE1-CG1 3.3Å; F175-V241 HydrophobicContact CZ-CB 4.12Å; F175-V241 HydrophobicContact CZ-CG1 3.8Å; V215-V241 HydrophobicContact CG1-CG2 3.55Å; N216-V241 WeakPolarHBondContact OD1-CA 3.17Å; N216-V241 WeakPolarHBondContact OD1-CG2 3.47Å; F232-V241 HydrophobicContact CE1-CG1 4.38Å; F232-V241 HydrophobicContact CE1-CG2 4.3Å; I235-V241 HydrophobicContact CD1-CB 3.88Å; I235-V241 HydrophobicContact CD1-CG2 3.53Å; V241-L243 HydrophobicContact CG1-CD1 4.19Å; V241-L243 HydrophobicContact CG1-CD2 4.38Å; V241-L243 HydrophobicContact CG1-CG 4.06Å; V241-L243 HydrophobicContact CG2-CD2 3.91Å; V241-L243 HydrophobicContact CG2-CG 4.31Å
242D94.7Very high87.4Confident62 Ų6249 Ų4933%0.33230%0.296SS..EExtended strand (participates in β ladder)trans-93.7134.2167.9-63.7-83.7000108.6K167 N216K167-D242 WeakPolarHBondContact CD-OD1 3.48Å; K167-D242 VanDerWaalsContact CG-OD1 3.27Å; K167-D242 WeakPolarHBondContact CG-OD1 3.46Å; K167-D242 IonicContact NZ-OD1 2.69Å; K167-D242 PolarHBondContact NZ-OD1 2.9Å; K167-D242 IonicContact NZ-OD2 3.34Å; K167-D242 PolarHBondContact NZ-OD2 3.34Å; N216-D242 PolarHBondContact N-O 3.38Å; N216-D242 PolarHBondContact OD1-N 2.81Å
243L96.1Very high85.3Confident5 Ų554.9 Ų54.93%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-131.3132.3-175.8-62.5175.9000110.2H165 T166 L168 F177 S214 V215 F232 V241 L245H165-L243 WeakPolarHBondContact CA-O 3.44Å; T166-L243 HydrophobicContact CG2-CB 3.84Å; T166-L243 HydrophobicContact CG2-CD1 4.3Å; T166-L243 PolarHBondContact N-O 2.88Å; T166-L243 PolarHBondContact O-N 3.13Å; L168-L243 HydrophobicContact CD1-CD1 3.85Å; L168-L243 HydrophobicContact CG-CD1 4.19Å; F177-L243 HydrophobicContact CE1-CD1 4.4Å; F177-L243 HydrophobicContact CZ-CD1 4.48Å; S214-L243 WeakPolarHBondContact O-CA 3.36Å; V215-L243 HydrophobicContact CB-CD2 4.08Å; V215-L243 HydrophobicContact CG1-CD2 3.82Å; V215-L243 HydrophobicContact CG2-CD2 3.73Å; F232-L243 HydrophobicContact CE1-CD1 4.23Å; F232-L243 HydrophobicContact CE1-CD2 3.72Å; F232-L243 HydrophobicContact CZ-CD1 4.29Å; F232-L243 HydrophobicContact CZ-CD2 3.61Å; V241-L243 HydrophobicContact CG1-CD1 4.19Å; V241-L243 HydrophobicContact CG1-CD2 4.38Å; V241-L243 HydrophobicContact CG1-CG 4.06Å; V241-L243 HydrophobicContact CG2-CD2 3.91Å; V241-L243 HydrophobicContact CG2-CG 4.31Å; L243-L245 HydrophobicContact CB-CD2 4.43Å
244E95.2Very high83.7Confident40 Ų4050.6 Ų50.619%0.18730%0.303CS..EExtended strand (participates in β ladder)trans-105.7130.6165.6-172.1176.7-150.600109F163 I164 H165 V213 S214F163-E244 HydrophobicContact CD1-CG 3.89Å; F163-E244 VanDerWaalsContact CD1-OE1 3.26Å; F163-E244 WeakPolarHBondContact CD1-OE1 3.34Å; F163-E244 HydrophobicContact CE1-CG 4.42Å; I164-E244 WeakPolarHBondContact O-CA 3.13Å; H165-E244 IonicContact CE1-OE1 2.78Å; H165-E244 PolarHBondContact CE1-OE1 3.38Å; H165-E244 VanDerWaalsContact CE1-OE1 3.3Å; H165-E244 IonicContact NE2-OE1 3.49Å; V213-E244 WeakPolarHBondContact CA-O 3.35Å; V213-E244 HydrophobicContact CB-CB 4.33Å; V213-E244 HydrophobicContact CB-CG 4.16Å; V213-E244 WeakPolarHBondContact CB-O 3.27Å; V213-E244 HydrophobicContact CG1-CG 4.49Å; V213-E244 PolarHBondContact N-O 3.34Å; S214-E244 PolarHBondContact N-O 3.5Å; S214-E244 VanDerWaalsContact N-O 3.17Å; S214-E244 PolarHBondContact O-N 3.01Å; S214-E244 WeakPolarHBondContact OG-CB 3.46Å; S214-E244 PolarHBondContact OG-OE2 2.91Å
245L94.7Very high81.6Confident1 Ų150.7 Ų50.71%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-129152.4-177.3-49.6172.9000109.9F163 I164 T166 M206 D210 V211 I212 L243F163-L245 CarbonylContact C-O 3.58Å; F163-L245 WeakPolarHBondContact CA-O 3.37Å; I164-L245 HydrophobicContact CB-CB 4.35Å; I164-L245 PolarHBondContact N-O 2.94Å; I164-L245 PolarHBondContact O-N 2.72Å; T166-L245 HydrophobicContact CG2-CD1 4.21Å; M206-L245 HydrophobicContact CB-CD1 4.39Å; M206-L245 HydrophobicContact CE-CD1 3.82Å; M206-L245 HydrophobicContact CG-CD1 3.6Å; M206-L245 HydrophobicContact SD-CD1 4.12Å; D210-L245 HydrophobicContact CB-CB 4.32Å; D210-L245 HydrophobicContact CB-CD1 4.4Å; V211-L245 CarbonylContact O-C 3.58Å; V211-L245 WeakPolarHBondContact O-CA 3.37Å; V211-L245 WeakPolarHBondContact O-CB 3.07Å; I212-L245 HydrophobicContact CB-CD2 4.19Å; I212-L245 HydrophobicContact CG1-CD2 4.06Å; I212-L245 HydrophobicContact CG2-CD2 4.11Å; L243-L245 HydrophobicContact CB-CD2 4.43Å
246C93.4Very high79.4Confident0 Ų057.1 Ų57.10%034%0.336CS..EExtended strand (participates in β ladder)trans-123.6120.4175.2-168.60000111.7L159 G161 V211 V213L159-C246 HydrophobicContact CD1-CB 3.87Å; G161-C246 VanDerWaalsContact CA-SG 3.52Å; V211-C246 HydrophobicContact CB-CB 4.45Å; V211-C246 PolarHBondContact N-O 3.24Å; V211-C246 PolarHBondContact O-N 3.12Å; V213-C246 HydrophobicContact CG2-CB 3.63Å
247R91.1Very high77.4Confident56 Ų5654.3 Ų54.321%0.21132%0.316CS..EExtended strand (participates in β ladder)trans-97.7130.4-180-172.3170.2-60.4162.25.7111.5G161 K162 I164 K205 E207 D210G161-R247 CarbonylContact C-O 3.43Å; G161-R247 WeakPolarHBondContact CA-O 3.39Å; K162-R247 HydrophobicContact CB-CB 4.5Å; K162-R247 PolarHBondContact N-O 3.06Å; K162-R247 PolarHBondContact O-N 2.9Å; I164-R247 HydrophobicContact CD1-CB 3.94Å; K205-R247 PolarHBondContact O-NH2 2.91Å; E207-R247 IonicContact OE1-CZ 3.3Å; E207-R247 IonicContact OE1-NH1 2.71Å; E207-R247 PolarHBondContact OE1-NH1 3.16Å; E207-R247 IonicContact OE1-NH2 3.27Å; E207-R247 IonicContact OE2-CZ 3.79Å; E207-R247 IonicContact OE2-NE 3.22Å; E207-R247 PolarHBondContact OE2-NE 3.33Å; E207-R247 IonicContact OE2-NH1 2.93Å; E207-R247 PolarHBondContact OE2-NH1 3.02Å; E207-R247 IonicContact OE2-NH2 2.95Å; D210-R247 VanDerWaalsContact OD1-CB 3.23Å; D210-R247 WeakPolarHBondContact OD1-CB 3.46Å; D210-R247 VanDerWaalsContact OD1-CG 3.3Å; D210-R247 WeakPolarHBondContact OD1-CG 3.45Å; D210-R247 IonicContact OD1-CZ 2.74Å; D210-R247 IonicContact OD1-NE 2.81Å; D210-R247 PolarHBondContact OD1-NE 2.82Å; D210-R247 IonicContact OD1-NH2 3.74Å; D210-R247 PolarHBondContact OD1-NH2 2.91Å; D210-R247 IonicContact OD2-CZ 3.98Å; D210-R247 IonicContact OD2-NE 3.63Å; D210-R247 IonicContact OD2-NH2 2.7Å; D210-R247 PolarHBondContact OD2-NH2 3.02Å
248G81.8Confident75.4Confident58 Ų5854.1 Ų54.160%0.59832%0.322SS*.  trans147-13178.600000113.8
249Y82.2Confident73.2Confident32 Ų3258.1 Ų58.113%0.12534%0.338CS..PPolyproline II helixtrans-88.9133.1177.4-66.5-94000110.4L159 K160 F188 Q190 V211L159-Y249 WeakPolarHBondContact CA-OH 3.27Å; L159-Y249 HydrophobicContact CB-CE2 4.44Å; L159-Y249 HydrophobicContact CD2-CE2 4.14Å; L159-Y249 WeakPolarHBondContact CD2-OH 3.35Å; K160-Y249 PolarHBondContact N-OH 3.36Å; F188-Y249 AromaticContact CD2-CD1 3.91Å; F188-Y249 HydrophobicContact CD2-CD1 3.91Å; F188-Y249 HydrophobicContact CD2-CE1 4.16Å; F188-Y249 AromaticContact CE2-CD1 3.6Å; F188-Y249 HydrophobicContact CE2-CD1 3.6Å; F188-Y249 AromaticContact CE2-CE1 3.39Å; F188-Y249 HydrophobicContact CE2-CE1 3.39Å; F188-Y249 HydrophobicContact CZ-CD1 4.38Å; F188-Y249 AromaticContact CZ-CE1 3.81Å; F188-Y249 HydrophobicContact CZ-CE1 3.81Å; Q190-Y249 PolarHBondContact NE2-O 3.41Å; V211-Y249 HydrophobicContact CG2-CD2 3.6Å; V211-Y249 HydrophobicContact CG2-CE2 4.46Å; V211-Y249 HydrophobicContact CG2-CG 3.71Å
250P72.7Confident71Confident97 Ų9757.8 Ų57.863%0.6333%0.332SS*.PPolyproline II helixtrans-66.9153.6170.430.9-34.9000109.8Q190Q190-P250 PolarHBondContact NE2-O 3.21Å; Q190-P250 PolarHBondContact OE1-O 3.08Å
251L72.3Confident68.4Low59 Ų5959.6 Ų59.631%0.30935%0.345SS..PPolyproline II helixtrans-66.6151.8169.5-80.6-176.4000111.2V180 Q190 T208V180-L251 HydrophobicContact CG1-CD2 3.7Å; Q190-L251 HydrophobicContact CB-CD2 3.59Å; T208-L251 HydrophobicContact CG2-CD1 3.57Å; T208-L251 HydrophobicContact CG2-CG 4.47Å
252P62.2Low65.7Low40 Ų4066 Ų6626%0.2638%0.379SS..PPolyproline II helixtrans-60142.2165.4-16.831.6000109.7D254P252-D254 PolarHBondContact O-N 2.93Å
253F48.1Very low62.6Low144 Ų14468 Ų6863%0.63239%0.393SS*.  trans-76.996.5175.9-175.6-95.9000109.8P255 T260F253-P255 HydrophobicContact CE1-CB 4.01Å; F253-P255 WeakPolarHBondContact O-CD 3.26Å; F253-T260 HydrophobicContact CD2-CG2 3.78Å; F253-T260 HydrophobicContact CE2-CG2 4.04Å
254D52.8Low59.4Low39 Ų3972.9 Ų72.921%0.20942%0.423CS..  trans-83.2110.3170.2-178.1-14.5000109.2K192 P252 D256 D257 T260K192-D254 IonicContact NZ-OD2 3.57Å; K192-D254 PolarHBondContact NZ-OD2 3.21Å; P252-D254 PolarHBondContact O-N 2.93Å; D254-D256 VanDerWaalsContact C-N 3.3Å; D254-D256 PolarHBondContact OD1-N 2.71Å; D254-D257 HydrophobicContact CB-CB 4.16Å; D254-D257 PolarHBondContact OD1-N 3.04Å; D254-D257 VanDerWaalsContact OD1-N 3.1Å; D254-T260 WeakPolarHBondContact O-CB 3.46Å; D254-T260 PolarHBondContact O-OG1 3.11Å
255P45.4Very low56.4Low97 Ų9776 Ų7663%0.6345%0.449SS*.SBendtrans-75.7-16.2-179.533.2-36.3000113.5F253F253-P255 HydrophobicContact CE1-CB 4.01Å; F253-P255 WeakPolarHBondContact O-CD 3.26Å
256D44.1Very low53.3Low148 Ų14881.6 Ų81.679%0.79148%0.483SS*.SBendtrans-97.5-11.8-177.2-71.9-62.2000112.6D254 P258D254-D256 VanDerWaalsContact C-N 3.3Å; D254-D256 PolarHBondContact OD1-N 2.71Å; D256-P258 WeakPolarHBondContact O-CD 3.18Å
257D47.2Very low50.1Low30 Ų3085.9 Ų85.916%0.1652%0.518CS..  trans-84.6114.4170-179.69.7000112.3K192 D254 N259 T260K192-D257 WeakPolarHBondContact CE-OD2 3.34Å; K192-D257 IonicContact NZ-OD2 2.77Å; D254-D257 HydrophobicContact CB-CB 4.16Å; D254-D257 PolarHBondContact OD1-N 3.04Å; D254-D257 VanDerWaalsContact OD1-N 3.1Å; D257-N259 PolarHBondContact O-N 2.79Å; D257-N259 WeakPolarHBondContact OD1-CB 3.49Å; D257-N259 PolarHBondContact OD1-N 2.65Å; D257-N259 PolarHBondContact OD1-ND2 3.09Å; D257-T260 PolarHBondContact O-N 2.83Å; D257-T260 PolarHBondContact O-OG1 2.81Å
258P47.2Very low47.5Very low115 Ų11590.8 Ų90.875%0.74755%0.547SS*.THydrogen-bonded Turntrans-64.6-9.7178.128.1-36.6000114.7D256D256-P258 WeakPolarHBondContact O-CD 3.18Å
259N38.8Very low45.1Very low111 Ų11195.3 Ų95.359%0.59456%0.557SS**THydrogen-bonded Turntrans-83.5-25.3176.6-58.7-78.9000113.3D257 S261 L262D257-N259 PolarHBondContact O-N 2.79Å; D257-N259 WeakPolarHBondContact OD1-CB 3.49Å; D257-N259 PolarHBondContact OD1-N 2.65Å; D257-N259 PolarHBondContact OD1-ND2 3.09Å; N259-S261 VanDerWaalsContact C-N 3.27Å; N259-S261 PolarHBondContact O-N 3.14Å; N259-L262 PolarHBondContact O-N 2.6Å
260T46.6Very low42.4Very low26 Ų26100.6 Ų100.616%0.1659%0.587CS.*G310 helixtrans-59.6-35.7-174-46.40000112.7F253 D254 D257 L262 V263F253-T260 HydrophobicContact CD2-CG2 3.78Å; F253-T260 HydrophobicContact CE2-CG2 4.04Å; D254-T260 WeakPolarHBondContact O-CB 3.46Å; D254-T260 PolarHBondContact O-OG1 3.11Å; D257-T260 PolarHBondContact O-N 2.83Å; D257-T260 PolarHBondContact O-OG1 2.81Å; T260-L262 PolarHBondContact O-N 3.17Å; T260-V263 PolarHBondContact O-N 2.85Å
261S35.5Very low40.2Very low91 Ų91105.9 Ų105.964%0.63660%0.6SS**G310 helixtrans-60.9-14.9-173.5-176.30000115.5N259N259-S261 VanDerWaalsContact C-N 3.27Å; N259-S261 PolarHBondContact O-N 3.14Å
262L37.5Very low38.1Very low136 Ų136112.3 Ų112.371%0.71263%0.629SS**G310 helixtrans-87.5-16.1-179.6-78.1166.2000113.9N259 T260N259-L262 PolarHBondContact O-N 2.6Å; T260-L262 PolarHBondContact O-N 3.17Å
263V30.3Very low37.2Very low103 Ų103115.4 Ų115.462%0.62465%0.649SS**THydrogen-bonded Turntrans-89.8-27.1-170.6-175.20000112.4T260 S265T260-V263 PolarHBondContact O-N 2.85Å; V263-S265 PolarHBondContact O-N 3.07Å
264T29.1Very low36.3Very low108 Ų108115.9 Ų115.966%0.66366%0.657SS**THydrogen-bonded Turntrans-70.3-12.6-178.4-34.30000114
265S31.8Very low35.3Very low105 Ų105120.8 Ų120.873%0.73468%0.681SS**THydrogen-bonded Turntrans-104.6-1.5-171.9-53.10000115.7V263V263-S265 PolarHBondContact O-N 3.07Å
266V29.5Very low34.2Very low118 Ų118122 Ų12272%0.71569%0.686SS**SBendtrans-116.1-10.3-170.6-173.40000113.1I268V266-I268 PolarHBondContact O-N 3.13Å
267A26.9Very low33.3Very low90 Ų90122 Ų12274%0.74469%0.686SS**SBendtrans-86.47.1-171.800000116.1
268I35.6Very low32.3Very low159 Ų159123.4 Ų123.482%0.81571%0.709SS**SBendtrans-137.585.7169-51179.3000110V266V266-I268 PolarHBondContact O-N 3.13Å
269L32.4Very low31.2Very low154 Ų154126.3 Ų126.381%0.80671%0.712SS**SBendtrans-170.3159.9148-103.1153.8000109.6
270D24.6Very low30.7Very low142 Ų142127.9 Ų127.976%0.75972%0.716SS**  trans60.364.9170.7-60.3-3.2000118.7
271K26.4Very low29.9Very low209 Ų209131.2 Ų131.291%0.90974%0.736SS**  trans-136.9101.5133.6-79.8-162.3177.4-179.90111.2
272E28.3Very low29.4Very low193 Ų193136.8 Ų136.890%0.90275%0.745SS**  trans-79.9161.4169.3-80.8-163.9135.600112.5
273P43.2Very low28.8Very low106 Ų106136.6 Ų136.669%0.68875%0.745SS**  trans-100.2165.5-160.938.9-36.9000115.3
274I28.4Very low28.8Very low154 Ų154136.4 Ų136.479%0.7975%0.748SS**  trans-168.2111.1152.4-95.3142000105.3
275I32.1Very low29.3Very low141 Ų141136.7 Ų136.772%0.72375%0.752SS**  89.8154.763.4-69.2163.4000112.2
276V22Very low29.2Very low122 Ų122136.3 Ų136.374%0.73976%0.755SS**  trans95120.5-178.3-178.90000113.5
277N25.5Very low29.3Very low148 Ų148135.4 Ų135.479%0.79175%0.754SS**  cis-151.3166.7-6.6-1031.6000108.3
278G27.1Very low29.5Very low61 Ų61139.3 Ų139.363%0.62976%0.756SS**  cis125.4110.4-3.600000114.3
279Q24.6Very low29.1Very low175 Ų175136.2 Ų136.282%0.81875%0.749SS**  trans-173.5140.1167.1-101.7-174.8-90.100105.8
280E27.4Very low29Very low145 Ų145134.3 Ų134.368%0.67875%0.748SS**  cis-155.5168.55.5-81.7-134.9-145.300108.8
281T29.3Very low29.3Very low96 Ų96136.6 Ų136.659%0.58975%0.751SS**  cis-171.7-168.7-18.9-82.80000106.7
282Y25.8Very low29.4Very low207 Ų207133.1 Ų133.181%0.81275%0.748SS**  trans77.2121.3178.2-82.8-94.6000117
283D23.8Very low29.2Very low133 Ų133127.4 Ų127.471%0.71174%0.74SS**  cis-156.1171.4-16.6-151.3-6.5000112.7
284S31.5Very low28.4Very low99 Ų99132.1 Ų132.169%0.69275%0.75SS**  trans-90.1-171.8176.2-88.30000111.8
285P40.1Very low28.3Very low114 Ų114130.7 Ų130.774%0.7475%0.748SS**  cis-141.3168.812.242.9-24.5000119.2
286A28.5Very low28Very low96 Ų96131.6 Ų131.679%0.79375%0.754SS**  trans60.7141.5147.600000120.7
287S31.5Very low28.2Very low100 Ų100128.9 Ų128.970%0.69975%0.752SS**  cis-169.2174.1-1055.20000111.8
288H31.9Very low28.4Very low172 Ų172130.8 Ų130.880%0.79676%0.758SS**  trans74.6105.4159.1-82.7-81.5000123.4
289S26.2Very low28.5Very low94 Ų94135.9 Ų135.966%0.65776%0.763SS**  71.296.5128.860.20000125.3
290S31.2Very low28.7Very low113 Ų113133.5 Ų133.579%0.7976%0.756SS**  86.3146116.377.70000124.9
291K30Very low28.7Very low191 Ų191131.4 Ų131.483%0.8376%0.763SS**  trans9395.5153.9-90.8-177.8174.3176.40124.1
292T28.3Very low28.5Very low135 Ų135138.2 Ų138.283%0.82878%0.778SS**  55.1121.1124.358.20000125
293G24.8Very low29.5Very low73 Ų73133.1 Ų133.175%0.75377%0.77SS**  123.9128.4112.200000123.2
294K26.3Very low29.6Very low206 Ų206132.2 Ų132.290%0.89678%0.775SS**  trans61.5174.3157.5-65.1-174.8175.2-179.50117.1
295V25.9Very low29.6Very low123 Ų123133.1 Ų133.175%0.74578%0.781SS**  cis-155.4166.820.3-137.60000114.3
296N26.3Very low29.9Very low160 Ų160133.3 Ų133.386%0.85678%0.782SS**  trans-16.7152.8166.6-50.9-8.5000124.7
297G26.2Very low29.9Very low66 Ų66132.7 Ų132.768%0.6878%0.777SS**  134.8126.3105.800000123.4
298M30Very low29.7Very low188 Ų188135.1 Ų135.193%0.92678%0.782SS**  trans60.1162.9143.182.6-176.917200121.3
299K30.1Very low29.6Very low167 Ų167133.7 Ų133.773%0.72679%0.785SS**  cis-164.5165.8-6-134.8-174.8177.8-115.20112.3
300D28.4Very low29.7Very low126 Ų126133.7 Ų133.767%0.67479%0.791SS**  trans16.6152.4143.9-61.2-18000122.8
301A26.8Very low29.6Very low101 Ų101134.5 Ų134.584%0.83580%0.796SS**  cis-168.6-172.2-2.800000113.6
302R25.8Very low29.4Very low238 Ų238132.5 Ų132.590%0.89880%0.795SS**  trans-80.9-175.6179.6-130.6-172.4165.4174.1-3.6112.5
303P45.4Very low29.2Very low100 Ų100130.4 Ų130.465%0.64979%0.786SS**  cis-147.7-174.1-0.344.1-22.6000120.5
304S27.1Very low29.3Very low115 Ų115133 Ų13380%0.80479%0.793SS**  trans96.5152.4145.3-63.40000123.1
305S30Very low29.5Very low117 Ų117132.6 Ų132.682%0.81879%0.794SS**  trans-115.2-164.6-178.1-35.70000110.4
306P47.5Very low29.5Very low118 Ų118130.2 Ų130.277%0.76679%0.794SS**  cis-146.6-164.521.744.8-22.4000117.8
307A28.2Very low29.5Very low84 Ų84132.8 Ų132.869%0.69479%0.793SS**  trans72.2156.4149.700000119.4
308D28Very low30.1Very low151 Ų151135.5 Ų135.581%0.80780%0.799SS**  cis-166.7-178.8-12.5-120.3-41.3000113
309V29.8Very low30.1Very low142 Ų142132.7 Ų132.786%0.86179%0.787SS**  trans76156.2162.2-142.20000120.1
310A27.3Very low30.1Very low94 Ų94130.8 Ų130.878%0.77779%0.785SS**  trans-138.2170.4-171.500000114.6
311S28.8Very low30Very low129 Ų129131.2 Ų131.290%0.90279%0.792SS**  trans-157.8-178.3166.559.90000112.1
312N26.1Very low30.7Very low149 Ų149132.2 Ų132.280%0.79779%0.788SS**  trans-130.3150.1-139.1-159.116.3000118
313S24.9Very low30.7Very low91 Ų91126.7 Ų126.764%0.63679%0.786SS**  trans53118.3148.462.70000123.2
314S25.6Very low30.6Very low129 Ų129130.1 Ų130.190%0.90280%0.798SS**  -170.8163.5121.637.90000111.5
315H32.1Very low30.4Very low197 Ų197129.1 Ų129.191%0.91280%0.796SS**  trans-90.5145.4-164.4-86.8-76.3000116.1
316G24.2Very low30.3Very low73 Ų73129 Ų12975%0.75380%0.796SS**  trans-169.1134.4158.700000112
317Y27.3Very low29.7Very low214 Ų214128.9 Ų128.984%0.83980%0.798SS**  trans-127.2142.5168.7-94.7-68.6000107
318P37.9Very low30Very low122 Ų122133 Ų13379%0.79281%0.806SS**  -143.7-177.684.138.7-21.8000115.4
319N29.9Very low30.3Very low129 Ų129130 Ų13069%0.6980%0.802SS**  trans-53.6164.4163.9-90.932.6000112.6
320D30.4Very low31.1Very low127 Ų127130.5 Ų130.568%0.67981%0.806SS**  cis-155.7-169.515.7-134.4-46000111.8
321T26.8Very low31.7Very low135 Ų135133.7 Ų133.783%0.82881%0.805SS**  trans88.8167.1162.877.60000119.6
322V41.7Very low33.3Very low122 Ų122130.6 Ų130.674%0.73978%0.782SS**  trans-109.4150.6-156.2-165.50000111.7L324V322-L324 HydrophobicContact CG1-CD1 4.45Å
323S25.9Very low35.9Very low122 Ų122129.3 Ų129.385%0.85377%0.771SS**  trans-148129.5163.1-80.90000112.6
324L42.4Very low38.9Very low172 Ų172129.7 Ų129.790%0.90177%0.765SS**  trans-97.3107.7175.7-67.296.2000110.7V322V322-L324 HydrophobicContact CG1-CD1 4.45Å
325A24.2Very low42Very low94 Ų94124.9 Ų124.978%0.77773%0.729SS**  trans-160.6139.2163.900000108.1
326S26.7Very low44.7Very low116 Ų116119.3 Ų119.381%0.81171%0.709SS**  cis-136157.76-69.10000111.6
327S35.9Very low48Very low114 Ų114116 Ų11680%0.79767%0.674SS**  trans-88.9-172.4176.3-62.90000112.8
328I33.9Very low51Low171 Ų171110.3 Ų110.388%0.87766%0.655SS**  trans91.888.8164.8-47.2159.8000116
329A34.4Very low53.6Low87 Ų87104.5 Ų104.572%0.71962%0.617SS**  trans-164.7124.413700000110.9Q331A329-Q331 VanDerWaalsContact C-N 3.31Å; A329-Q331 PolarHBondContact O-N 3.09Å; A329-Q331 VanDerWaalsContact O-N 3.15Å
330T47.2Very low56.4Low153 Ų153101.3 Ų101.394%0.93960%0.602SS**  trans-8666.617235.30000111.3
331Q39Very low59.2Low162 Ų16296.2 Ų96.276%0.75757%0.574SS**SBendtrans-132.4146.9170.3-67.2-165.816.200111.4A329A329-Q331 VanDerWaalsContact C-N 3.31Å; A329-Q331 PolarHBondContact O-N 3.09Å; A329-Q331 VanDerWaalsContact O-N 3.15Å
332P62.4Low61.7Low64 Ų6490 Ų9042%0.41654%0.537SS..  trans-71.9125.5173.329.4-33.3000110.9Q413 G415P332-Q413 HydrophobicContact CB-CG 3.57Å; P332-Q413 VanDerWaalsContact CB-NE2 3.28Å; P332-G415 WeakPolarHBondContact CB-O 3.33Å
333E81Confident63.4Low121 Ų12188.9 Ų88.957%0.56553%0.532SS*.EExtended strand (participates in β ladder)trans-82.8125.4177.8-167.2-173.8178.300109.9I335 Q413 R414E333-I335 HydrophobicContact CB-CG1 4.4Å; E333-I335 HydrophobicContact CG-CD1 4.16Å; E333-I335 HydrophobicContact CG-CG1 3.8Å; E333-Q413 CarbonylContact O-C 3.6Å; E333-Q413 WeakPolarHBondContact O-CA 3.19Å; E333-R414 PolarHBondContact N-O 3.41Å; E333-R414 PolarHBondContact O-N 2.75Å
334L87.4Confident65.9Low99 Ų9992.2 Ų92.252%0.51854%0.537SS..EExtended strand (participates in β ladder)trans-95.5113.3173.9-74.1172.8000109.9V380 L411 V412 Q413L334-V380 HydrophobicContact CD2-CG2 3.86Å; L334-L411 HydrophobicContact CB-CD1 4.33Å; L334-L411 HydrophobicContact CD2-CD2 4.35Å; L334-L411 HydrophobicContact CD2-CG 4.33Å; L334-V412 WeakPolarHBondContact CA-O 3.35Å; L334-Q413 HydrophobicContact CD2-CB 3.92Å; L334-Q413 HydrophobicContact CD2-CG 4.15Å
335I90.1Very high68Low29 Ų2984.9 Ų84.915%0.14950%0.503CS..EExtended strand (participates in β ladder)trans-114.9127.5-172-56.7177.9000108.5E333 V337 V412 R414E333-I335 HydrophobicContact CB-CG1 4.4Å; E333-I335 HydrophobicContact CG-CD1 4.16Å; E333-I335 HydrophobicContact CG-CG1 3.8Å; I335-V337 HydrophobicContact CG2-CG2 4.03Å; I335-V412 HydrophobicContact CB-CG2 4.07Å; I335-V412 PolarHBondContact N-O 3.02Å; I335-V412 PolarHBondContact O-N 3.49Å; I335-R414 HydrophobicContact CD1-CB 3.78Å; I335-R414 HydrophobicContact CD1-CG 4.39Å; I335-R414 VanDerWaalsContact CD1-CZ 3.46Å
336T90.8Very high71Confident80 Ų8081.2 Ų81.249%0.49147%0.47SS..EExtended strand (participates in β ladder)trans-91.6125.6174.2-54.20000109.5T409 L410T336-T409 HydrophobicContact CG2-CG2 3.39Å; T336-L410 CarbonylContact C-O 3.59Å; T336-L410 WeakPolarHBondContact CA-O 3.13Å
337V92.3Very high73.9Confident4 Ų476.6 Ų76.62%0.02444%0.44CS..EExtended strand (participates in β ladder)trans-123.2134.2-178.1-171.70000109.6I335 I339 R371 L373 L410 V412I335-V337 HydrophobicContact CG2-CG2 4.03Å; V337-I339 HydrophobicContact CG1-CD1 4.01Å; V337-I339 HydrophobicContact CG1-CG1 3.84Å; V337-R371 WeakPolarHBondContact CG1-O 3.37Å; V337-L373 HydrophobicContact CB-CD1 4.49Å; V337-L373 HydrophobicContact CG1-CB 4.2Å; V337-L373 HydrophobicContact CG1-CD1 4.44Å; V337-L373 HydrophobicContact CG2-CD1 4.31Å; V337-L410 PolarHBondContact N-O 3.24Å; V337-L410 PolarHBondContact O-N 2.87Å; V337-V412 HydrophobicContact CG2-CG2 4.02Å
338H90.6Very high76.5Confident93 Ų9372.3 Ų72.343%0.43141%0.407SS..EExtended strand (participates in β ladder)trans-110123.3-179.8-72.1-115.8000109.4E407H338-E407 HydrophobicContact CB-CG 4.12Å; H338-E407 IonicContact CE1-OE2 3.71Å; H338-E407 IonicContact CG-OE2 3.68Å; H338-E407 IonicContact ND1-OE1 4Å; H338-E407 IonicContact ND1-OE2 2.73Å; H338-E407 PolarHBondContact ND1-OE2 2.91Å
339I91.7Very high79.2Confident1 Ų166.8 Ų66.81%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-135124.1-174.5-48.6-175.1000110.6V337 F346 F348 R369 C370 L373 V408 L410V337-I339 HydrophobicContact CG1-CD1 4.01Å; V337-I339 HydrophobicContact CG1-CG1 3.84Å; I339-F346 HydrophobicContact CB-CD1 4.32Å; I339-F346 HydrophobicContact CG2-CB 4.31Å; I339-F346 HydrophobicContact CG2-CD1 3.96Å; I339-F348 HydrophobicContact CD1-CD1 4.03Å; I339-F348 HydrophobicContact CD1-CE1 3.76Å; I339-R369 HydrophobicContact CG2-CG 4.01Å; I339-C370 HydrophobicContact CD1-CB 4.42Å; I339-L373 HydrophobicContact CD1-CB 4.35Å; I339-L373 HydrophobicContact CD1-CD1 4.5Å; I339-L373 HydrophobicContact CD1-CD2 3.91Å; I339-L373 HydrophobicContact CD1-CG 4.5Å; I339-V408 PolarHBondContact N-O 3.26Å; I339-V408 PolarHBondContact O-N 2.99Å; I339-L410 HydrophobicContact CD1-CD1 3.71Å; I339-L410 HydrophobicContact CG1-CD1 4.43Å
340V89.3Confident82Confident61 Ų6163.7 Ų63.737%0.3735%0.352SS..EExtended strand (participates in β ladder)trans-89122179-178.40000111.2G342 R369 E407V340-G342 PolarHBondContact O-N 3.27Å; V340-G342 VanDerWaalsContact O-N 3.11Å; V340-R369 WeakPolarHBondContact O-CD 3.22Å; V340-R369 PolarHBondContact O-NH1 2.75Å; V340-E407 HydrophobicContact CG2-CB 4.1Å; V340-E407 HydrophobicContact CG2-CG 4.25Å
341K88.6Confident84Confident20 Ų2058 Ų589%0.08732%0.32CS..  trans-63.3110.9-177.3-163.2173.4-177.1168.80111.7F346 L399 V400 C402 G405 S406K341-F346 HydrophobicContact CB-CD1 3.97Å; K341-F346 HydrophobicContact CB-CE1 3.45Å; K341-F346 VanDerWaalsContact CB-CE1 3.45Å; K341-F346 HydrophobicContact CB-CZ 3.74Å; K341-F346 HydrophobicContact CD-CE1 4.29Å; K341-F346 HydrophobicContact CD-CE2 3.91Å; K341-F346 HydrophobicContact CD-CZ 3.7Å; K341-F346 HydrophobicContact CG-CD1 4.21Å; K341-F346 HydrophobicContact CG-CD2 4.39Å; K341-F346 HydrophobicContact CG-CE1 3.87Å; K341-F346 HydrophobicContact CG-CE2 4.07Å; K341-F346 HydrophobicContact CG-CG 4.44Å; K341-F346 HydrophobicContact CG-CZ 3.77Å; K341-L399 PolarHBondContact NZ-O 2.62Å; K341-V400 VanDerWaalsContact NZ-C 3.3Å; K341-V400 PolarHBondContact NZ-O 3.2Å; K341-C402 HydrophobicContact CD-CB 4.32Å; K341-C402 WeakPolarHBondContact CD-O 3.3Å; K341-C402 WeakPolarHBondContact CE-O 3.48Å; K341-C402 PolarHBondContact NZ-O 2.73Å; K341-G405 PolarHBondContact O-N 3.31Å; K341-S406 PolarHBondContact N-O 3.22Å
342G80.7Confident86Confident5 Ų555 Ų555%0.05231%0.31CS..BIsolated β-bridgetrans-76.9179176.500000113.7V340 M344 G345V340-G342 PolarHBondContact O-N 3.27Å; V340-G342 VanDerWaalsContact O-N 3.11Å; G342-M344 PolarHBondContact O-N 3.49Å; G342-G345 WeakPolarHBondContact CA-O 3.1Å; G342-G345 PolarHBondContact N-O 2.72Å; G342-G345 PolarHBondContact O-N 2.75Å
343P77.4Confident86.7Confident98 Ų9852.5 Ų52.564%0.63629%0.293SS*.THydrogen-bonded Turntrans-60.7-31.5-179.424.4-33.8000112.9K404P343-K404 PolarHBondContact O-NZ 2.64Å
344M78.6Confident85.5Confident192 Ų19252.9 Ų52.995%0.94631%0.307SS*.THydrogen-bonded Turntrans-98.616.9177.7-58.8176.472.400113.3G342G342-M344 PolarHBondContact O-N 3.49Å
345G85.8Confident84.2Confident19 Ų1950 Ų5020%0.19630%0.301CS..BIsolated β-bridgetrans94.2-156.1-175.200000113.2G342G342-G345 WeakPolarHBondContact CA-O 3.1Å; G342-G345 PolarHBondContact N-O 2.72Å; G342-G345 PolarHBondContact O-N 2.75Å
346F88.1Confident82.8Confident17 Ų1752.2 Ų52.28%0.07533%0.331CS..SBendtrans-82.2-12.6-172.8-67.1-74.2000115.5I339 K341 F348 R369 C370 L399 C402 V408I339-F346 HydrophobicContact CB-CD1 4.32Å; I339-F346 HydrophobicContact CG2-CB 4.31Å; I339-F346 HydrophobicContact CG2-CD1 3.96Å; K341-F346 HydrophobicContact CB-CD1 3.97Å; K341-F346 HydrophobicContact CB-CE1 3.45Å; K341-F346 VanDerWaalsContact CB-CE1 3.45Å; K341-F346 HydrophobicContact CB-CZ 3.74Å; K341-F346 HydrophobicContact CD-CE1 4.29Å; K341-F346 HydrophobicContact CD-CE2 3.91Å; K341-F346 HydrophobicContact CD-CZ 3.7Å; K341-F346 HydrophobicContact CG-CD1 4.21Å; K341-F346 HydrophobicContact CG-CD2 4.39Å; K341-F346 HydrophobicContact CG-CE1 3.87Å; K341-F346 HydrophobicContact CG-CE2 4.07Å; K341-F346 HydrophobicContact CG-CG 4.44Å; K341-F346 HydrophobicContact CG-CZ 3.77Å; F346-F348 HydrophobicContact CB-CD1 3.67Å; F346-F348 HydrophobicContact CB-CE1 3.4Å; F346-F348 HydrophobicContact CB-CZ 4.3Å; F346-F348 HydrophobicContact CG-CE1 4.06Å; F346-R369 VanDerWaalsContact O-CD 3.27Å; F346-R369 WeakPolarHBondContact O-CD 3.39Å; F346-C370 PolarHBondContact O-SG 2.88Å; F346-L399 HydrophobicContact CD2-CB 4.36Å; F346-L399 HydrophobicContact CD2-CD2 4.17Å; F346-L399 HydrophobicContact CE2-CB 3.98Å; F346-L399 HydrophobicContact CE2-CD2 3.82Å; F346-L399 WeakPolarHBondContact CE2-O 3.34Å; F346-L399 HydrophobicContact CZ-CD2 4.45Å; F346-C402 HydrophobicContact CE2-CB 4.46Å; F346-C402 HydrophobicContact CZ-CB 3.89Å; F346-V408 HydrophobicContact CE1-CB 3.78Å; F346-V408 HydrophobicContact CE1-CG2 3.58Å; F346-V408 HydrophobicContact CZ-CB 4.03Å; F346-V408 HydrophobicContact CZ-CG2 3.45Å; F346-V408 VanDerWaalsContact CZ-CG2 3.45Å
347G86Confident81.6Confident18 Ų1849.5 Ų49.519%0.18632%0.319CS..SBendtrans79.418.5-179.500000115.1V365 D366 C370G347-V365 CarbonylContact O-C 3.58Å; G347-V365 WeakPolarHBondContact O-CA 3.26Å; G347-V365 WeakPolarHBondContact O-CB 3.47Å; G347-V365 PolarHBondContact O-N 2.96Å; G347-D366 PolarHBondContact O-N 3.49Å; G347-C370 PolarHBondContact O-SG 2.78Å
348F92.1Very high81Confident25 Ų2549.7 Ų49.711%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-136.2161166.468-89.6000110.2I339 F346 I350 V361 Q363 I364 L373 I379 L399 L410I339-F348 HydrophobicContact CD1-CD1 4.03Å; I339-F348 HydrophobicContact CD1-CE1 3.76Å; F346-F348 HydrophobicContact CB-CD1 3.67Å; F346-F348 HydrophobicContact CB-CE1 3.4Å; F346-F348 HydrophobicContact CB-CZ 4.3Å; F346-F348 HydrophobicContact CG-CE1 4.06Å; F348-I350 HydrophobicContact CD2-CG2 3.9Å; F348-I350 HydrophobicContact CE2-CG2 3.61Å; F348-V361 HydrophobicContact CB-CG1 4.36Å; F348-V361 HydrophobicContact CD2-CG1 4.34Å; F348-V361 HydrophobicContact CD2-CG2 4.37Å; F348-Q363 CarbonylContact C-O 3.6Å; F348-Q363 VanDerWaalsContact CA-O 3.32Å; F348-Q363 WeakPolarHBondContact CA-O 3.3Å; F348-I364 HydrophobicContact CB-CG1 4.3Å; F348-L373 HydrophobicContact CB-CD2 3.9Å; F348-L373 HydrophobicContact CD1-CD2 3.64Å; F348-L373 HydrophobicContact CD2-CD2 3.96Å; F348-L373 HydrophobicContact CE1-CD2 4.12Å; F348-L373 HydrophobicContact CE2-CD2 4.41Å; F348-L373 HydrophobicContact CG-CD2 3.56Å; F348-L373 HydrophobicContact CZ-CD2 4.49Å; F348-I379 HydrophobicContact CE2-CD1 4.05Å; F348-L399 HydrophobicContact CZ-CD1 4.5Å; F348-L410 HydrophobicContact CE1-CD1 3.92Å; F348-L410 HydrophobicContact CZ-CD1 3.65Å
349T90.8Very high80.9Confident54 Ų5445.3 Ų45.333%0.33130%0.301SS..EExtended strand (participates in β ladder)trans-113.9156.6174.663.10000110.6V361 K362 Q363 V365T349-V361 WeakPolarHBondContact O-CA 3.24Å; T349-K362 PolarHBondContact O-N 3.28Å; T349-Q363 PolarHBondContact N-O 2.86Å; T349-Q363 WeakPolarHBondContact OG1-CB 3.2Å; T349-Q363 PolarHBondContact OG1-N 2.92Å; T349-Q363 VanDerWaalsContact OG1-N 3.16Å; T349-Q363 PolarHBondContact OG1-O 3.34Å; T349-V365 HydrophobicContact CG2-CG2 4.38Å
350I92.9Very high80.9Confident23 Ų2348.3 Ų48.312%0.11831%0.312CS..EExtended strand (participates in β ladder)trans-124.4160.8178.459.8167.7000111.8F348 Q359 R360 I379 H392 V395 V396 L399F348-I350 HydrophobicContact CD2-CG2 3.9Å; F348-I350 HydrophobicContact CE2-CG2 3.61Å; I350-Q359 HydrophobicContact CB-CB 4.46Å; I350-Q359 HydrophobicContact CD1-CB 4.14Å; I350-Q359 HydrophobicContact CD1-CG 4.11Å; I350-R360 CarbonylContact C-O 3.58Å; I350-R360 WeakPolarHBondContact CA-O 3.4Å; I350-R360 WeakPolarHBondContact CB-O 3.42Å; I350-I379 HydrophobicContact CG2-CD1 3.65Å; I350-H392 PolarHBondContact O-CE1 2.88Å; I350-V395 HydrophobicContact CD1-CB 4.33Å; I350-V395 HydrophobicContact CD1-CG1 4.03Å; I350-V396 HydrophobicContact CD1-CG2 3.89Å; I350-V396 HydrophobicContact CG1-CG2 4.29Å; I350-L399 HydrophobicContact CD1-CD1 4.37Å
351A87.8Confident81Confident32 Ų3245.5 Ų45.526%0.26430%0.295SS..EExtended strand (participates in β ladder)trans-147.5156.6173.100000110.9Q359 R360 K362A351-Q359 VanDerWaalsContact C-OE1 3.24Å; A351-Q359 PolarHBondContact O-OE1 2.59Å; A351-R360 PolarHBondContact N-O 2.88Å; A351-R360 PolarHBondContact O-N 3.17Å; A351-K362 HydrophobicContact CB-CB 4.09Å; A351-K362 HydrophobicContact CB-CD 4.27Å
352D82.4Confident81.1Confident101 Ų10151.4 Ų51.454%0.5432%0.321SS..EExtended strand (participates in β ladder)trans-57.9138.2174.9-75.2-58.7000111.5P354 Q359D352-P354 VanDerWaalsContact O-CD 3.3Å; D352-P354 WeakPolarHBondContact O-CD 3.4Å; D352-Q359 PolarHBondContact OD1-NE2 2.99Å
353S76.1Confident81.4Confident10 Ų1056.3 Ų56.37%0.0734%0.343CS..  trans-76121.6176.1610000111G355 G356 G357 G358S353-G355 PolarHBondContact O-N 2.84Å; S353-G356 PolarHBondContact O-N 2.75Å; S353-G357 PolarHBondContact OG-N 2.86Å; S353-G358 WeakPolarHBondContact CB-O 3.43Å; S353-G358 PolarHBondContact N-O 2.73Å; S353-G358 PolarHBondContact OG-N 2.93Å; S353-G358 PolarHBondContact OG-O 3.09Å
354P56.1Low82Confident130 Ų13053.2 Ų53.284%0.84432%0.32SS*.THydrogen-bonded Turntrans-64.81.5177.122.5-33.8000115D352D352-P354 VanDerWaalsContact O-CD 3.3Å; D352-P354 WeakPolarHBondContact O-CD 3.4Å
355G59.7Low82.3Confident38 Ų3849.1 Ų49.139%0.39231%0.306SS..THydrogen-bonded Turntrans-101.43170.200000114.8S353S353-G355 PolarHBondContact O-N 2.84Å
356G61.6Low82.3Confident76 Ų7650.5 Ų50.578%0.78431%0.309SS*.SBendtrans68.338.6177.400000114.9S353S353-G356 PolarHBondContact O-N 2.75Å
357G66Low81.9Confident23 Ų2353.6 Ų53.624%0.23733%0.333CS..SBendtrans-127.723.2-172.500000115.7S353 Q388S353-G357 PolarHBondContact OG-N 2.86Å; G357-Q388 WeakPolarHBondContact O-CB 3.26Å; G357-Q388 WeakPolarHBondContact O-CG 3.45Å
358G78.3Confident81.8Confident7 Ų757.5 Ų57.57%0.07236%0.355CS..SBendtrans113.6-156.1-177.100000114S353 Q388S353-G358 WeakPolarHBondContact CB-O 3.43Å; S353-G358 PolarHBondContact N-O 2.73Å; S353-G358 PolarHBondContact OG-N 2.93Å; S353-G358 PolarHBondContact OG-O 3.09Å; G358-Q388 WeakPolarHBondContact CA-O 3.47Å; G358-Q388 PolarHBondContact N-O 2.72Å
359Q89.8Confident81.2Confident1 Ų160.3 Ų60.31%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-102.5136.6-177.7-59.4-57.2-50.600111.1I350 A351 D352 I379 H392 V395I350-Q359 HydrophobicContact CB-CB 4.46Å; I350-Q359 HydrophobicContact CD1-CB 4.14Å; I350-Q359 HydrophobicContact CD1-CG 4.11Å; A351-Q359 VanDerWaalsContact C-OE1 3.24Å; A351-Q359 PolarHBondContact O-OE1 2.59Å; D352-Q359 PolarHBondContact OD1-NE2 2.99Å; Q359-I379 PolarHBondContact O-N 3.06Å; Q359-H392 PolarHBondContact OE1-ND1 3.33Å; Q359-V395 HydrophobicContact CB-CG1 4.47Å; Q359-V395 HydrophobicContact CG-CB 3.84Å; Q359-V395 HydrophobicContact CG-CG1 3.99Å; Q359-V395 HydrophobicContact CG-CG2 3.73Å
360R91.3Very high80.9Confident64 Ų6457.9 Ų57.924%0.24235%0.35CS..EExtended strand (participates in β ladder)trans-102.1148.7170.9-81.3-169.2-107.4-90.110.8111.7I350 A351 K362 G376 D377 L378I350-R360 CarbonylContact C-O 3.58Å; I350-R360 WeakPolarHBondContact CA-O 3.4Å; I350-R360 WeakPolarHBondContact CB-O 3.42Å; A351-R360 PolarHBondContact N-O 2.88Å; A351-R360 PolarHBondContact O-N 3.17Å; R360-K362 PolarHBondContact O-N 3.12Å; R360-G376 VanDerWaalsContact CD-O 3.27Å; R360-G376 WeakPolarHBondContact CD-O 3.36Å; R360-D377 CarbonylContact C-O 3.56Å; R360-D377 VanDerWaalsContact CA-O 3.23Å; R360-D377 WeakPolarHBondContact CA-O 3.39Å; R360-L378 HydrophobicContact CG-CB 4.07Å; R360-L378 HydrophobicContact CG-CD1 3.77Å
361V91.5Very high80.3Confident2 Ų266.3 Ų66.31%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-66.5116.6166.7-179.10000108.3F348 T349 I364 L373 G376 D377 I379F348-V361 HydrophobicContact CB-CG1 4.36Å; F348-V361 HydrophobicContact CD2-CG1 4.34Å; F348-V361 HydrophobicContact CD2-CG2 4.37Å; T349-V361 WeakPolarHBondContact O-CA 3.24Å; V361-I364 HydrophobicContact CG1-CG1 4.09Å; V361-L373 HydrophobicContact CG1-CD2 3.97Å; V361-L373 HydrophobicContact CG1-CG 4.34Å; V361-L373 HydrophobicContact CG2-CD1 3.91Å; V361-L373 HydrophobicContact CG2-CD2 3.85Å; V361-L373 HydrophobicContact CG2-CG 3.92Å; V361-G376 PolarHBondContact O-N 3.23Å; V361-D377 HydrophobicContact CB-CB 4.32Å; V361-D377 HydrophobicContact CG2-CB 3.96Å; V361-D377 PolarHBondContact N-O 3.01Å; V361-I379 HydrophobicContact CG2-CD1 4.31Å; V361-I379 HydrophobicContact CG2-CG1 4.21Å
362K89.3Confident80Confident145 Ų14567.1 Ų67.163%0.6339%0.391SS*.EExtended strand (participates in β ladder)trans-86.4-45.9-178.7179179.8176.7-179.40112T349 A351 R360T349-K362 PolarHBondContact O-N 3.28Å; A351-K362 HydrophobicContact CB-CB 4.09Å; A351-K362 HydrophobicContact CB-CD 4.27Å; R360-K362 PolarHBondContact O-N 3.12Å
363Q88.1Confident80.4Confident108 Ų10862.8 Ų62.851%0.50537%0.368SS..EExtended strand (participates in β ladder)trans-152.4143.2-176.9-167.1-176.413.500110.7F348 T349 E375F348-Q363 CarbonylContact C-O 3.6Å; F348-Q363 VanDerWaalsContact CA-O 3.32Å; F348-Q363 WeakPolarHBondContact CA-O 3.3Å; T349-Q363 PolarHBondContact N-O 2.86Å; T349-Q363 WeakPolarHBondContact OG1-CB 3.2Å; T349-Q363 PolarHBondContact OG1-N 2.92Å; T349-Q363 VanDerWaalsContact OG1-N 3.16Å; T349-Q363 PolarHBondContact OG1-O 3.34Å; Q363-E375 VanDerWaalsContact CA-OE1 3.23Å; Q363-E375 WeakPolarHBondContact CA-OE1 3.45Å; Q363-E375 WeakPolarHBondContact CG-OE1 3.31Å
364I89.1Confident80.9Confident33 Ų3368.1 Ų68.117%0.16939%0.39CS..EExtended strand (participates in β ladder)trans-102121.8172-64.1176.5000109.5F348 V361 C370 L373 E375F348-I364 HydrophobicContact CB-CG1 4.3Å; V361-I364 HydrophobicContact CG1-CG1 4.09Å; I364-C370 HydrophobicContact CD1-CB 4.45Å; I364-C370 HydrophobicContact CG2-CB 3.79Å; I364-L373 HydrophobicContact CD1-CB 4.07Å; I364-L373 HydrophobicContact CD1-CD2 4.4Å; I364-L373 HydrophobicContact CD1-CG 4.33Å; I364-L373 WeakPolarHBondContact CD1-O 3.35Å; I364-L373 HydrophobicContact CG1-CD2 4.48Å; I364-E375 HydrophobicContact CB-CG 4.45Å; I364-E375 HydrophobicContact CD1-CG 4.37Å; I364-E375 HydrophobicContact CG1-CG 4.03Å; I364-E375 PolarHBondContact N-OE1 2.9Å
365V86.4Confident82.4Confident106 Ų10667.2 Ų67.264%0.64237%0.374SS*.SBendtrans-102.1-34.7-175-172.60000111.6G347 T349G347-V365 CarbonylContact O-C 3.58Å; G347-V365 WeakPolarHBondContact O-CA 3.26Å; G347-V365 WeakPolarHBondContact O-CB 3.47Å; G347-V365 PolarHBondContact O-N 2.96Å; T349-V365 HydrophobicContact CG2-CG2 4.38Å
366D85Confident83.7Confident47 Ų4767.6 Ų67.625%0.25138%0.378SS..  trans-120.677.9173.4-173.4-13.1000108.8G347 P368 R369 C370G347-D366 PolarHBondContact O-N 3.49Å; D366-P368 WeakPolarHBondContact OD1-CD 3.33Å; D366-R369 HydrophobicContact CB-CB 4.01Å; D366-R369 WeakPolarHBondContact O-CB 3.41Å; D366-R369 PolarHBondContact O-N 3.46Å; D366-R369 VanDerWaalsContact O-N 3.12Å; D366-R369 WeakPolarHBondContact OD1-CB 3.43Å; D366-R369 PolarHBondContact OD1-N 2.88Å; D366-R369 VanDerWaalsContact OD1-N 3.11Å; D366-R369 WeakPolarHBondContact OD2-CB 3.33Å; D366-R369 IonicContact OD2-CZ 3.96Å; D366-R369 IonicContact OD2-NE 2.57Å; D366-R369 PolarHBondContact OD2-NE 3.48Å; D366-R369 IonicContact OD2-NH2 3.72Å; D366-R369 PolarHBondContact OD2-NH2 3.33Å; D366-C370 PolarHBondContact O-N 2.77Å; D366-C370 PolarHBondContact O-SG 3.48Å
367S80.3Confident85.1Confident83 Ų8364.1 Ų64.158%0.5834%0.342SS*.THydrogen-bonded Turntrans-57.2-40.5177.8175.70000113.6R369 C370S367-R369 PolarHBondContact O-N 2.75Å; S367-C370 PolarHBondContact O-N 3.04Å
368P82.4Confident86.3Confident100 Ų10063.7 Ų63.765%0.64933%0.334SS*.THydrogen-bonded Turntrans-56.1-30.8172-28.436.9000115.1D366D366-P368 WeakPolarHBondContact OD1-CD 3.33Å
369R81.3Confident86.9Confident84 Ų8463.3 Ų63.332%0.31733%0.33SS..THydrogen-bonded Turntrans-84.9-37.5174.7-177.7-176.4-54-67.3-21.8113.4I339 V340 F346 D366 S367 R371I339-R369 HydrophobicContact CG2-CG 4.01Å; V340-R369 WeakPolarHBondContact O-CD 3.22Å; V340-R369 PolarHBondContact O-NH1 2.75Å; F346-R369 VanDerWaalsContact O-CD 3.27Å; F346-R369 WeakPolarHBondContact O-CD 3.39Å; D366-R369 HydrophobicContact CB-CB 4.01Å; D366-R369 WeakPolarHBondContact O-CB 3.41Å; D366-R369 PolarHBondContact O-N 3.46Å; D366-R369 VanDerWaalsContact O-N 3.12Å; D366-R369 WeakPolarHBondContact OD1-CB 3.43Å; D366-R369 PolarHBondContact OD1-N 2.88Å; D366-R369 VanDerWaalsContact OD1-N 3.11Å; D366-R369 WeakPolarHBondContact OD2-CB 3.33Å; D366-R369 IonicContact OD2-CZ 3.96Å; D366-R369 IonicContact OD2-NE 2.57Å; D366-R369 PolarHBondContact OD2-NE 3.48Å; D366-R369 IonicContact OD2-NH2 3.72Å; D366-R369 PolarHBondContact OD2-NH2 3.33Å; S367-R369 PolarHBondContact O-N 2.75Å; R369-R371 PolarHBondContact O-N 3.4Å; R369-R371 VanDerWaalsContact O-N 3.14Å
370C83.9Confident87Confident3 Ų363.8 Ų63.82%0.0233%0.333CS..SBendtrans-86.134.6-174.8-57.80000113.5I339 F346 G347 I364 D366 S367 G372 L373I339-C370 HydrophobicContact CD1-CB 4.42Å; F346-C370 PolarHBondContact O-SG 2.88Å; G347-C370 PolarHBondContact O-SG 2.78Å; I364-C370 HydrophobicContact CD1-CB 4.45Å; I364-C370 HydrophobicContact CG2-CB 3.79Å; D366-C370 PolarHBondContact O-N 2.77Å; D366-C370 PolarHBondContact O-SG 3.48Å; S367-C370 PolarHBondContact O-N 3.04Å; C370-G372 PolarHBondContact O-N 3.09Å; C370-L373 HydrophobicContact CB-CB 4.16Å; C370-L373 HydrophobicContact CB-CD2 4.36Å; C370-L373 VanDerWaalsContact O-CB 3.3Å; C370-L373 WeakPolarHBondContact O-CB 3.49Å; C370-L373 PolarHBondContact O-N 3.19Å
371R80.1Confident87Confident200 Ų20063.5 Ų63.576%0.75533%0.334SS*.THydrogen-bonded Turntrans-57.6121.5-174.9-73.8-176.6178.6-1261.3111.6V337 R369V337-R371 WeakPolarHBondContact CG1-O 3.37Å; R369-R371 PolarHBondContact O-N 3.4Å; R369-R371 VanDerWaalsContact O-N 3.14Å
372G80.6Confident87.1Confident48 Ų4863.4 Ų63.450%0.49533%0.334SS..THydrogen-bonded Turntrans97.4-21.3-18000000114.2C370 R414C370-G372 PolarHBondContact O-N 3.09Å; G372-R414 PolarHBondContact O-NH2 3.45Å
373L90.5Very high87Confident10 Ų1059.6 Ų59.65%0.05232%0.321CS..  trans-74.2149.7169-154.570000110.1V337 I339 F348 V361 I364 C370 L410 V412V337-L373 HydrophobicContact CB-CD1 4.49Å; V337-L373 HydrophobicContact CG1-CB 4.2Å; V337-L373 HydrophobicContact CG1-CD1 4.44Å; V337-L373 HydrophobicContact CG2-CD1 4.31Å; I339-L373 HydrophobicContact CD1-CB 4.35Å; I339-L373 HydrophobicContact CD1-CD1 4.5Å; I339-L373 HydrophobicContact CD1-CD2 3.91Å; I339-L373 HydrophobicContact CD1-CG 4.5Å; F348-L373 HydrophobicContact CB-CD2 3.9Å; F348-L373 HydrophobicContact CD1-CD2 3.64Å; F348-L373 HydrophobicContact CD2-CD2 3.96Å; F348-L373 HydrophobicContact CE1-CD2 4.12Å; F348-L373 HydrophobicContact CE2-CD2 4.41Å; F348-L373 HydrophobicContact CG-CD2 3.56Å; F348-L373 HydrophobicContact CZ-CD2 4.49Å; V361-L373 HydrophobicContact CG1-CD2 3.97Å; V361-L373 HydrophobicContact CG1-CG 4.34Å; V361-L373 HydrophobicContact CG2-CD1 3.91Å; V361-L373 HydrophobicContact CG2-CD2 3.85Å; V361-L373 HydrophobicContact CG2-CG 3.92Å; I364-L373 HydrophobicContact CD1-CB 4.07Å; I364-L373 HydrophobicContact CD1-CD2 4.4Å; I364-L373 HydrophobicContact CD1-CG 4.33Å; I364-L373 WeakPolarHBondContact CD1-O 3.35Å; I364-L373 HydrophobicContact CG1-CD2 4.48Å; C370-L373 HydrophobicContact CB-CB 4.16Å; C370-L373 HydrophobicContact CB-CD2 4.36Å; C370-L373 VanDerWaalsContact O-CB 3.3Å; C370-L373 WeakPolarHBondContact O-CB 3.49Å; C370-L373 PolarHBondContact O-N 3.19Å; L373-L410 HydrophobicContact CD1-CD1 4.13Å; L373-V412 HydrophobicContact CD1-CG1 3.88Å
374K87.5Confident86.9Confident122 Ų12263 Ų6353%0.5333%0.334SS..  trans-136.5157.1171.2-67.4-174.5-172.8-178.90110.5D377K374-D377 PolarHBondContact N-OD2 3.46Å; K374-D377 VanDerWaalsContact O-CB 3.28Å; K374-D377 WeakPolarHBondContact O-CB 3.3Å; K374-D377 PolarHBondContact O-N 3.12Å
375E88.4Confident86.8Confident112 Ų11267.4 Ų67.452%0.52335%0.352SS..THydrogen-bonded Turntrans-66.3140.6172.2-60.3179.7166.900109.8Q363 I364 D377Q363-E375 VanDerWaalsContact CA-OE1 3.23Å; Q363-E375 WeakPolarHBondContact CA-OE1 3.45Å; Q363-E375 WeakPolarHBondContact CG-OE1 3.31Å; I364-E375 HydrophobicContact CB-CG 4.45Å; I364-E375 HydrophobicContact CD1-CG 4.37Å; I364-E375 HydrophobicContact CG1-CG 4.03Å; I364-E375 PolarHBondContact N-OE1 2.9Å; E375-D377 VanDerWaalsContact C-N 3.34Å
376G85.5Confident86.9Confident46 Ų4666 Ų6647%0.47434%0.341SS..THydrogen-bonded Turntrans87.6-15.2-172.400000115.7R360 V361 L378R360-G376 VanDerWaalsContact CD-O 3.27Å; R360-G376 WeakPolarHBondContact CD-O 3.36Å; V361-G376 PolarHBondContact O-N 3.23Å; G376-L378 PolarHBondContact O-N 2.85Å
377D91.3Very high87.1Confident3 Ų363.8 Ų63.82%0.01633%0.329CS..  trans-55.2129.9176.4-79.5-12.9000111.5R360 V361 K374 E375 V412 R414R360-D377 CarbonylContact C-O 3.56Å; R360-D377 VanDerWaalsContact CA-O 3.23Å; R360-D377 WeakPolarHBondContact CA-O 3.39Å; V361-D377 HydrophobicContact CB-CB 4.32Å; V361-D377 HydrophobicContact CG2-CB 3.96Å; V361-D377 PolarHBondContact N-O 3.01Å; K374-D377 PolarHBondContact N-OD2 3.46Å; K374-D377 VanDerWaalsContact O-CB 3.28Å; K374-D377 WeakPolarHBondContact O-CB 3.3Å; K374-D377 PolarHBondContact O-N 3.12Å; E375-D377 VanDerWaalsContact C-N 3.34Å; D377-V412 HydrophobicContact CB-CB 4.06Å; D377-V412 HydrophobicContact CB-CG2 4.12Å; D377-R414 VanDerWaalsContact CG-NH2 3.35Å; D377-R414 IonicContact OD1-CZ 2.74Å; D377-R414 IonicContact OD1-NE 2.99Å; D377-R414 PolarHBondContact OD1-NE 3.12Å; D377-R414 IonicContact OD1-NH2 3.01Å; D377-R414 PolarHBondContact OD1-NH2 2.88Å; D377-R414 IonicContact OD2-CZ 3.32Å; D377-R414 IonicContact OD2-NE 2.66Å; D377-R414 IonicContact OD2-NH2 3.4Å; D377-R414 PolarHBondContact OD2-NH2 2.83Å
378L91.3Very high87.4Confident13 Ų1363 Ų637%0.06832%0.316CS..EExtended strand (participates in β ladder)trans-89.5115.6176.3178.474.4000110.2R360 G376 V380 V412 Q413R360-L378 HydrophobicContact CG-CB 4.07Å; R360-L378 HydrophobicContact CG-CD1 3.77Å; G376-L378 PolarHBondContact O-N 2.85Å; L378-V380 PolarHBondContact O-N 2.76Å; L378-V412 CarbonylContact O-C 3.58Å; L378-V412 VanDerWaalsContact O-CA 3.27Å; L378-V412 WeakPolarHBondContact O-CA 3.43Å; L378-Q413 HydrophobicContact CB-CB 4.24Å; L378-Q413 PolarHBondContact N-O 2.78Å; L378-Q413 PolarHBondContact O-N 3.47Å
379I92.3Very high87.4Confident0 Ų062.8 Ų62.80%032%0.323CS..EExtended strand (participates in β ladder)trans-71.6116.6177.1-49.5179.6000108.9F348 I350 Q359 V361 V382 V387 V412F348-I379 HydrophobicContact CE2-CD1 4.05Å; I350-I379 HydrophobicContact CG2-CD1 3.65Å; Q359-I379 PolarHBondContact O-N 3.06Å; V361-I379 HydrophobicContact CG2-CD1 4.31Å; V361-I379 HydrophobicContact CG2-CG1 4.21Å; I379-V382 HydrophobicContact CG2-CG2 3.86Å; I379-V387 HydrophobicContact CB-CG2 4.16Å; I379-V387 HydrophobicContact CG2-CG2 3.78Å; I379-V387 VanDerWaalsContact O-CG2 3.25Å; I379-V387 WeakPolarHBondContact O-CG2 3.22Å; I379-V412 HydrophobicContact CG1-CG1 4.24Å
380V91.2Very high87.5Confident11 Ų1161.5 Ų61.57%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-93-44178.1-176.20000110.1L334 L378 N386 V387 Q388 L411 Q413L334-V380 HydrophobicContact CD2-CG2 3.86Å; L378-V380 PolarHBondContact O-N 2.76Å; V380-N386 WeakPolarHBondContact O-CA 3.42Å; V380-V387 PolarHBondContact O-N 2.81Å; V380-Q388 HydrophobicContact CB-CG 4.49Å; V380-Q388 HydrophobicContact CG1-CG 4.2Å; V380-L411 WeakPolarHBondContact CA-O 3.49Å; V380-L411 HydrophobicContact CB-CD2 4.4Å; V380-L411 HydrophobicContact CB-CG 4.45Å; V380-L411 WeakPolarHBondContact CB-O 3.44Å; V380-L411 HydrophobicContact CG1-CD2 4.32Å; V380-L411 PolarHBondContact N-O 3.27Å; V380-Q413 HydrophobicContact CG2-CB 3.69Å
381E91.7Very high87.6Confident57 Ų5765.2 Ų65.227%0.26634%0.344SS..EExtended strand (participates in β ladder)trans-139.3150.5179.5-47.8-165.1154.400112.9K384 K385 L410 L411E381-K384 WeakPolarHBondContact OE2-CA 3.33Å; E381-K385 CarbonylContact C-O 3.51Å; E381-K385 WeakPolarHBondContact CA-O 3.09Å; E381-K385 WeakPolarHBondContact CB-O 3.31Å; E381-L410 WeakPolarHBondContact O-CA 3.42Å; E381-L411 HydrophobicContact CB-CB 3.83Å; E381-L411 HydrophobicContact CG-CB 4.05Å; E381-L411 HydrophobicContact CG-CD2 4.01Å; E381-L411 PolarHBondContact N-O 3.17Å; E381-L411 VanDerWaalsContact N-O 3.12Å; E381-L411 PolarHBondContact O-N 2.97Å
382V92.5Very high87.9Confident0 Ų058.2 Ų58.20%032%0.32CS..EExtended strand (participates in β ladder)trans-125.5121169.61780000107.2I379 K384 K385 V387 M398 L399 V408 L410I379-V382 HydrophobicContact CG2-CG2 3.86Å; V382-K384 PolarHBondContact O-N 3.47Å; V382-K385 PolarHBondContact N-O 2.83Å; V382-K385 WeakPolarHBondContact O-CB 3.2Å; V382-K385 PolarHBondContact O-N 3.01Å; V382-V387 HydrophobicContact CB-CG1 3.96Å; V382-V387 HydrophobicContact CG2-CG1 3.69Å; V382-M398 HydrophobicContact CB-CE 4.16Å; V382-M398 HydrophobicContact CB-SD 4.31Å; V382-M398 HydrophobicContact CG1-CG 4.28Å; V382-M398 HydrophobicContact CG1-SD 4.48Å; V382-M398 HydrophobicContact CG2-CE 4.46Å; V382-L399 HydrophobicContact CG1-CD2 3.78Å; V382-L399 HydrophobicContact CG2-CD2 4.28Å; V382-V408 HydrophobicContact CG1-CG1 3.9Å; V382-L410 HydrophobicContact CB-CD2 4.34Å; V382-L410 HydrophobicContact CG1-CD2 4.21Å; V382-L410 HydrophobicContact CG2-CD2 3.8Å
383N88.2Confident88.2Confident66 Ų6661 Ų6135%0.35332%0.324SS..THydrogen-bonded Turntrans48.544.3-176.7-67.3-29.6000113.3K385 V408 T409N383-K385 PolarHBondContact O-N 3.4Å; N383-V408 WeakPolarHBondContact OD1-CA 3.43Å; N383-T409 PolarHBondContact N-O 3.14Å; N383-T409 PolarHBondContact OD1-N 2.87Å
384K85.6Confident88Confident179 Ų17965 Ų6578%0.77834%0.342SS*.THydrogen-bonded Turntrans63.218-178.2-49.4178.8-175.9177.90115.2E381 V382E381-K384 WeakPolarHBondContact OE2-CA 3.33Å; V382-K384 PolarHBondContact O-N 3.47Å
385K85.9Confident88.1Confident125 Ų12559.2 Ų59.254%0.54332%0.317SS..EExtended strand (participates in β ladder)trans-100.2124.6166.1-61.5174.7177.7178.30108.5E381 V382 N383 V387 M398E381-K385 CarbonylContact C-O 3.51Å; E381-K385 WeakPolarHBondContact CA-O 3.09Å; E381-K385 WeakPolarHBondContact CB-O 3.31Å; V382-K385 PolarHBondContact N-O 2.83Å; V382-K385 WeakPolarHBondContact O-CB 3.2Å; V382-K385 PolarHBondContact O-N 3.01Å; N383-K385 PolarHBondContact O-N 3.4Å; K385-V387 VanDerWaalsContact O-CG1 3.32Å; K385-V387 WeakPolarHBondContact O-CG1 3.43Å; K385-M398 HydrophobicContact CB-SD 4.21Å; K385-M398 HydrophobicContact CD-SD 3.61Å
386N90.1Very high88.2Confident78 Ų7856.2 Ų56.242%0.41731%0.306SS..EExtended strand (participates in β ladder)trans-65.1135174.4-173.5-74.2000110.9V380 Q388V380-N386 WeakPolarHBondContact O-CA 3.42Å; N386-Q388 PolarHBondContact OD1-N 2.77Å
387V89.6Confident88.3Confident0 Ų058.2 Ų58.20%031%0.306CS..  trans-117.60.2-175.1-45.20000113.9I379 V380 V382 K385 A389 L390 V395 M398I379-V387 HydrophobicContact CB-CG2 4.16Å; I379-V387 HydrophobicContact CG2-CG2 3.78Å; I379-V387 VanDerWaalsContact O-CG2 3.25Å; I379-V387 WeakPolarHBondContact O-CG2 3.22Å; V380-V387 PolarHBondContact O-N 2.81Å; V382-V387 HydrophobicContact CB-CG1 3.96Å; V382-V387 HydrophobicContact CG2-CG1 3.69Å; K385-V387 VanDerWaalsContact O-CG1 3.32Å; K385-V387 WeakPolarHBondContact O-CG1 3.43Å; V387-A389 VanDerWaalsContact C-N 3.27Å; V387-A389 PolarHBondContact O-N 3.44Å; V387-L390 HydrophobicContact CB-CD1 4.19Å; V387-L390 HydrophobicContact CG1-CD1 4.3Å; V387-L390 PolarHBondContact O-N 2.94Å; V387-L390 VanDerWaalsContact O-N 3.12Å; V387-V395 HydrophobicContact CB-CG1 4.37Å; V387-V395 HydrophobicContact CB-CG2 3.88Å; V387-V395 HydrophobicContact CG2-CG1 4.38Å; V387-V395 HydrophobicContact CG2-CG2 4.4Å; V387-M398 HydrophobicContact CB-CE 4.4Å; V387-M398 HydrophobicContact CG1-CE 3.45Å; V387-M398 VanDerWaalsContact CG1-CE 3.45Å
388Q86.3Confident88.1Confident66 Ų6659 Ų5931%0.30831%0.31SS..THydrogen-bonded Turntrans-68.9-26.9-173.5-61.4-172.7-59.200113.2G357 G358 V380 N386G357-Q388 WeakPolarHBondContact O-CB 3.26Å; G357-Q388 WeakPolarHBondContact O-CG 3.45Å; G358-Q388 WeakPolarHBondContact CA-O 3.47Å; G358-Q388 PolarHBondContact N-O 2.72Å; V380-Q388 HydrophobicContact CB-CG 4.49Å; V380-Q388 HydrophobicContact CG1-CG 4.2Å; N386-Q388 PolarHBondContact OD1-N 2.77Å
389A80.8Confident88Confident96 Ų9659 Ų5979%0.79331%0.31SS*.THydrogen-bonded Turntrans-96.94.1175.700000113.6V387V387-A389 VanDerWaalsContact C-N 3.27Å; V387-A389 PolarHBondContact O-N 3.44Å
390L84.4Confident87.8Confident56 Ų5663.7 Ų63.729%0.29334%0.338SS..SBendtrans-93.3142.7178.9-61.8-178.3000111.1V387 Q394 V395 M398V387-L390 HydrophobicContact CB-CD1 4.19Å; V387-L390 HydrophobicContact CG1-CD1 4.3Å; V387-L390 PolarHBondContact O-N 2.94Å; V387-L390 VanDerWaalsContact O-N 3.12Å; L390-Q394 HydrophobicContact CB-CB 4.15Å; L390-V395 HydrophobicContact CB-CG2 3.63Å; L390-V395 HydrophobicContact CD1-CG2 4.32Å; L390-M398 HydrophobicContact CD1-CE 3.65Å
391T85.6Confident87.6Confident81 Ų8170.3 Ų70.350%0.49737%0.369SS..  trans-65.8156.317261.70000111.3N393 Q394 V395T391-N393 VanDerWaalsContact C-N 3.28Å; T391-N393 PolarHBondContact O-N 2.68Å; T391-Q394 PolarHBondContact O-N 2.82Å; T391-Q394 VanDerWaalsContact OG1-CD 3.27Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.43Å; T391-Q394 PolarHBondContact OG1-OE1 2.87Å; T391-V395 PolarHBondContact O-N 3.26Å
392H86.9Confident87.3Confident53 Ų5368.2 Ų68.225%0.24536%0.36CS..Hα-helixtrans-44-53.2177-175.878.6000112.7I350 Q359 Q394 V395 V396I350-H392 PolarHBondContact O-CE1 2.88Å; Q359-H392 PolarHBondContact OE1-ND1 3.33Å; H392-Q394 PolarHBondContact O-N 2.98Å; H392-V395 PolarHBondContact O-N 3.07Å; H392-V395 VanDerWaalsContact O-N 3.14Å; H392-V396 WeakPolarHBondContact O-CG2 3.46Å; H392-V396 PolarHBondContact O-N 3.33Å
393N86.8Confident87Confident108 Ų10872.4 Ų72.458%0.57839%0.387SS*.Hα-helixtrans-58.4-46.7-179.4-62.55000111.7T391 V395 V396 D397T391-N393 VanDerWaalsContact C-N 3.28Å; T391-N393 PolarHBondContact O-N 2.68Å; N393-V395 PolarHBondContact O-N 2.89Å; N393-V396 CarbonylContact O-C 3.53Å; N393-V396 WeakPolarHBondContact O-CA 3.49Å; N393-V396 WeakPolarHBondContact O-CB 3.11Å; N393-V396 PolarHBondContact O-N 3.36Å; N393-V396 VanDerWaalsContact O-N 3.09Å; N393-D397 WeakPolarHBondContact O-CB 3.36Å; N393-D397 PolarHBondContact O-N 3.34Å; N393-D397 VanDerWaalsContact O-OD2 3.1Å
394Q87.2Confident86.9Confident94 Ų9476.7 Ų76.744%0.43940%0.402SS..Hα-helixtrans-62.6-29179.6-70.5165.8-47.400113.7L390 T391 H392 M398L390-Q394 HydrophobicContact CB-CB 4.15Å; T391-Q394 PolarHBondContact O-N 2.82Å; T391-Q394 VanDerWaalsContact OG1-CD 3.27Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.43Å; T391-Q394 PolarHBondContact OG1-OE1 2.87Å; H392-Q394 PolarHBondContact O-N 2.98Å; Q394-M398 WeakPolarHBondContact O-CB 3.49Å; Q394-M398 PolarHBondContact O-N 3.37Å
395V89.2Confident86.6Confident0 Ų070.8 Ų70.80%039%0.392CS..Hα-helixtrans-79.4-37.9174.4-173.90000111.1I350 Q359 V387 L390 T391 H392 N393 L399I350-V395 HydrophobicContact CD1-CB 4.33Å; I350-V395 HydrophobicContact CD1-CG1 4.03Å; Q359-V395 HydrophobicContact CB-CG1 4.47Å; Q359-V395 HydrophobicContact CG-CB 3.84Å; Q359-V395 HydrophobicContact CG-CG1 3.99Å; Q359-V395 HydrophobicContact CG-CG2 3.73Å; V387-V395 HydrophobicContact CB-CG1 4.37Å; V387-V395 HydrophobicContact CB-CG2 3.88Å; V387-V395 HydrophobicContact CG2-CG1 4.38Å; V387-V395 HydrophobicContact CG2-CG2 4.4Å; L390-V395 HydrophobicContact CB-CG2 3.63Å; L390-V395 HydrophobicContact CD1-CG2 4.32Å; T391-V395 PolarHBondContact O-N 3.26Å; H392-V395 PolarHBondContact O-N 3.07Å; H392-V395 VanDerWaalsContact O-N 3.14Å; N393-V395 PolarHBondContact O-N 2.89Å; V395-L399 HydrophobicContact CG1-CD1 4.3Å; V395-L399 VanDerWaalsContact O-CG 3.32Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 2.88Å; V395-L399 VanDerWaalsContact O-N 3.11Å
396V89.3Confident86.6Confident49 Ų4966.3 Ų66.330%0.29738%0.377SS..Hα-helixtrans-60.5-50.8170.7172.10000110.5I350 H392 N393 M398 L399 V400I350-V396 HydrophobicContact CD1-CG2 3.89Å; I350-V396 HydrophobicContact CG1-CG2 4.29Å; H392-V396 WeakPolarHBondContact O-CG2 3.46Å; H392-V396 PolarHBondContact O-N 3.33Å; N393-V396 CarbonylContact O-C 3.53Å; N393-V396 WeakPolarHBondContact O-CA 3.49Å; N393-V396 WeakPolarHBondContact O-CB 3.11Å; N393-V396 PolarHBondContact O-N 3.36Å; N393-V396 VanDerWaalsContact O-N 3.09Å; V396-M398 PolarHBondContact O-N 3.07Å; V396-L399 CarbonylContact O-C 3.48Å; V396-L399 PolarHBondContact O-N 2.84Å; V396-L399 VanDerWaalsContact O-N 3.08Å; V396-V400 HydrophobicContact CG1-CG2 4.05Å; V396-V400 WeakPolarHBondContact O-CB 3.41Å; V396-V400 VanDerWaalsContact O-CG2 3.29Å; V396-V400 WeakPolarHBondContact O-CG2 3.22Å; V396-V400 PolarHBondContact O-N 3.04Å
397D87.3Confident86.5Confident87 Ų8767.7 Ų67.747%0.46538%0.381SS..Hα-helixtrans-55.3-50.4179.8-65.3-30.4000110.8N393 L399 V400 E401N393-D397 WeakPolarHBondContact O-CB 3.36Å; N393-D397 PolarHBondContact O-N 3.34Å; N393-D397 VanDerWaalsContact O-OD2 3.1Å; D397-L399 VanDerWaalsContact C-N 3.31Å; D397-L399 PolarHBondContact O-N 3.25Å; D397-V400 CarbonylContact O-C 3.55Å; D397-V400 WeakPolarHBondContact O-CA 3.4Å; D397-V400 WeakPolarHBondContact O-CB 3.4Å; D397-V400 PolarHBondContact O-N 2.75Å; D397-E401 WeakPolarHBondContact O-CG 3.16Å; D397-E401 PolarHBondContact O-N 2.8Å
398M87.6Confident86.5Confident20 Ų2067.8 Ų67.810%0.09938%0.381CS..Hα-helixtrans-62-33.5177.3175.2166.946.800113.7V382 K385 V387 L390 Q394 V396 C402V382-M398 HydrophobicContact CB-CE 4.16Å; V382-M398 HydrophobicContact CB-SD 4.31Å; V382-M398 HydrophobicContact CG1-CG 4.28Å; V382-M398 HydrophobicContact CG1-SD 4.48Å; V382-M398 HydrophobicContact CG2-CE 4.46Å; K385-M398 HydrophobicContact CB-SD 4.21Å; K385-M398 HydrophobicContact CD-SD 3.61Å; V387-M398 HydrophobicContact CB-CE 4.4Å; V387-M398 HydrophobicContact CG1-CE 3.45Å; V387-M398 VanDerWaalsContact CG1-CE 3.45Å; L390-M398 HydrophobicContact CD1-CE 3.65Å; Q394-M398 WeakPolarHBondContact O-CB 3.49Å; Q394-M398 PolarHBondContact O-N 3.37Å; V396-M398 PolarHBondContact O-N 3.07Å; M398-C402 PolarHBondContact O-SG 3.13Å
399L89.3Confident86.7Confident14 Ų1466.3 Ų66.37%0.07338%0.377CS..Hα-helixtrans-73.9-35.4171.3-70.8168.8000111.1K341 F346 F348 I350 V382 V395 V396 D397 C402 V408 L410K341-L399 PolarHBondContact NZ-O 2.62Å; F346-L399 HydrophobicContact CD2-CB 4.36Å; F346-L399 HydrophobicContact CD2-CD2 4.17Å; F346-L399 HydrophobicContact CE2-CB 3.98Å; F346-L399 HydrophobicContact CE2-CD2 3.82Å; F346-L399 WeakPolarHBondContact CE2-O 3.34Å; F346-L399 HydrophobicContact CZ-CD2 4.45Å; F348-L399 HydrophobicContact CZ-CD1 4.5Å; I350-L399 HydrophobicContact CD1-CD1 4.37Å; V382-L399 HydrophobicContact CG1-CD2 3.78Å; V382-L399 HydrophobicContact CG2-CD2 4.28Å; V395-L399 HydrophobicContact CG1-CD1 4.3Å; V395-L399 VanDerWaalsContact O-CG 3.32Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 2.88Å; V395-L399 VanDerWaalsContact O-N 3.11Å; V396-L399 CarbonylContact O-C 3.48Å; V396-L399 PolarHBondContact O-N 2.84Å; V396-L399 VanDerWaalsContact O-N 3.08Å; D397-L399 VanDerWaalsContact C-N 3.31Å; D397-L399 PolarHBondContact O-N 3.25Å; L399-C402 PolarHBondContact O-N 3.48Å; L399-V408 HydrophobicContact CD2-CG1 4.47Å; L399-L410 HydrophobicContact CD2-CD2 4.31Å
400V88.6Confident87.3Confident97 Ų9761.8 Ų61.859%0.58834%0.34SS*.Hα-helixtrans-68.5-36.7176.21690000111.7K341 V396 D397 C402K341-V400 VanDerWaalsContact NZ-C 3.3Å; K341-V400 PolarHBondContact NZ-O 3.2Å; V396-V400 HydrophobicContact CG1-CG2 4.05Å; V396-V400 WeakPolarHBondContact O-CB 3.41Å; V396-V400 VanDerWaalsContact O-CG2 3.29Å; V396-V400 WeakPolarHBondContact O-CG2 3.22Å; V396-V400 PolarHBondContact O-N 3.04Å; D397-V400 CarbonylContact O-C 3.55Å; D397-V400 WeakPolarHBondContact O-CA 3.4Å; D397-V400 WeakPolarHBondContact O-CB 3.4Å; D397-V400 PolarHBondContact O-N 2.75Å; V400-C402 VanDerWaalsContact C-N 3.35Å; V400-C402 PolarHBondContact O-N 2.9Å
401E86.2Confident87.7Confident151 Ų15160.8 Ų60.871%0.70633%0.334SS*.Hα-helixtrans-66.6-27.7175.9-76.8-177.716200114D397D397-E401 WeakPolarHBondContact O-CG 3.16Å; D397-E401 PolarHBondContact O-N 2.8Å
402C86.3Confident88Confident12 Ų1257 Ų578%0.08131%0.311CS..SBendtrans-58.8130.7177.8-67.90000110.8K341 F346 M398 L399 V400 V408K341-C402 HydrophobicContact CD-CB 4.32Å; K341-C402 WeakPolarHBondContact CD-O 3.3Å; K341-C402 WeakPolarHBondContact CE-O 3.48Å; K341-C402 PolarHBondContact NZ-O 2.73Å; F346-C402 HydrophobicContact CE2-CB 4.46Å; F346-C402 HydrophobicContact CZ-CB 3.89Å; M398-C402 PolarHBondContact O-SG 3.13Å; L399-C402 PolarHBondContact O-N 3.48Å; V400-C402 VanDerWaalsContact C-N 3.35Å; V400-C402 PolarHBondContact O-N 2.9Å; C402-V408 HydrophobicContact CB-CG2 3.84Å
403P86.6Confident88.1Confident88 Ų8856.7 Ų56.757%0.57131%0.309SS*.PPolyproline II helixtrans-58.8149.1-177.6-27.235.5000114.2G405 S406P403-G405 PolarHBondContact O-N 2.79Å; P403-S406 PolarHBondContact O-N 2.92Å; P403-S406 VanDerWaalsContact O-N 3.1Å; P403-S406 PolarHBondContact O-OG 3.38Å
404K84.8Confident88.1Confident156 Ų15654 Ų5468%0.67829%0.291SS*.THydrogen-bonded Turntrans-64.1132.3169.2-65.4-167.6-176.7-165.30108.7P343 S406P343-K404 PolarHBondContact O-NZ 2.64Å; K404-S406 VanDerWaalsContact C-N 3.34Å
405G79.5Confident87Confident55 Ų5552 Ų5257%0.56730%0.296SS*.THydrogen-bonded Turntrans83.3-6.3-172.700000115.7K341 P403K341-G405 PolarHBondContact O-N 3.31Å; P403-G405 PolarHBondContact O-N 2.79Å
406S86.1Confident85.3Confident31 Ų3154.6 Ų54.622%0.21732%0.323CS..  trans-74.6138.4171.370.40000111K341 P403 K404K341-S406 PolarHBondContact N-O 3.22Å; P403-S406 PolarHBondContact O-N 2.92Å; P403-S406 VanDerWaalsContact O-N 3.1Å; P403-S406 PolarHBondContact O-OG 3.38Å; K404-S406 VanDerWaalsContact C-N 3.34Å
407E87.5Confident82.9Confident108 Ų10860.1 Ų60.151%0.50535%0.349SS..EExtended strand (participates in β ladder)trans-70.4138.5160.3-169.2176.7-94.100110H338 V340H338-E407 HydrophobicContact CB-CG 4.12Å; H338-E407 IonicContact CE1-OE2 3.71Å; H338-E407 IonicContact CG-OE2 3.68Å; H338-E407 IonicContact ND1-OE1 4Å; H338-E407 IonicContact ND1-OE2 2.73Å; H338-E407 PolarHBondContact ND1-OE2 2.91Å; V340-E407 HydrophobicContact CG2-CB 4.1Å; V340-E407 HydrophobicContact CG2-CG 4.25Å
408V90.6Very high80.3Confident1 Ų159.3 Ų59.31%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-119.7130.9172.2168.70000109.1I339 F346 V382 N383 L399 C402 L410I339-V408 PolarHBondContact N-O 3.26Å; I339-V408 PolarHBondContact O-N 2.99Å; F346-V408 HydrophobicContact CE1-CB 3.78Å; F346-V408 HydrophobicContact CE1-CG2 3.58Å; F346-V408 HydrophobicContact CZ-CB 4.03Å; F346-V408 HydrophobicContact CZ-CG2 3.45Å; F346-V408 VanDerWaalsContact CZ-CG2 3.45Å; V382-V408 HydrophobicContact CG1-CG1 3.9Å; N383-V408 WeakPolarHBondContact OD1-CA 3.43Å; L399-V408 HydrophobicContact CD2-CG1 4.47Å; C402-V408 HydrophobicContact CB-CG2 3.84Å; V408-L410 HydrophobicContact CG1-CD2 3.8Å; V408-L410 HydrophobicContact CG1-CG 4.38Å
409T91.1Very high77.7Confident36 Ų3664.4 Ų64.422%0.22138%0.381CS..EExtended strand (participates in β ladder)trans-91.5117.9173-49.80000109.3T336 N383T336-T409 HydrophobicContact CG2-CG2 3.39Å; N383-T409 PolarHBondContact N-O 3.14Å; N383-T409 PolarHBondContact OD1-N 2.87Å
410L93.8Very high75Confident1 Ų169 Ų691%0.00541%0.411CS..EExtended strand (participates in β ladder)trans-101.2131.2171.5-55.5178.7000108.8T336 V337 I339 F348 L373 E381 V382 L399 V408 V412T336-L410 CarbonylContact C-O 3.59Å; T336-L410 WeakPolarHBondContact CA-O 3.13Å; V337-L410 PolarHBondContact N-O 3.24Å; V337-L410 PolarHBondContact O-N 2.87Å; I339-L410 HydrophobicContact CD1-CD1 3.71Å; I339-L410 HydrophobicContact CG1-CD1 4.43Å; F348-L410 HydrophobicContact CE1-CD1 3.92Å; F348-L410 HydrophobicContact CZ-CD1 3.65Å; L373-L410 HydrophobicContact CD1-CD1 4.13Å; E381-L410 WeakPolarHBondContact O-CA 3.42Å; V382-L410 HydrophobicContact CB-CD2 4.34Å; V382-L410 HydrophobicContact CG1-CD2 4.21Å; V382-L410 HydrophobicContact CG2-CD2 3.8Å; L399-L410 HydrophobicContact CD2-CD2 4.31Å; V408-L410 HydrophobicContact CG1-CD2 3.8Å; V408-L410 HydrophobicContact CG1-CG 4.38Å; L410-V412 HydrophobicContact CB-CG1 4.06Å
411L91.3Very high72.2Confident35 Ų3574.3 Ų74.318%0.18343%0.427CS..EExtended strand (participates in β ladder)trans-96.6119.5161.4-171.169000107.3L334 V380 E381L334-L411 HydrophobicContact CB-CD1 4.33Å; L334-L411 HydrophobicContact CD2-CD2 4.35Å; L334-L411 HydrophobicContact CD2-CG 4.33Å; V380-L411 WeakPolarHBondContact CA-O 3.49Å; V380-L411 HydrophobicContact CB-CD2 4.4Å; V380-L411 HydrophobicContact CB-CG 4.45Å; V380-L411 WeakPolarHBondContact CB-O 3.44Å; V380-L411 HydrophobicContact CG1-CD2 4.32Å; V380-L411 PolarHBondContact N-O 3.27Å; E381-L411 HydrophobicContact CB-CB 3.83Å; E381-L411 HydrophobicContact CG-CB 4.05Å; E381-L411 HydrophobicContact CG-CD2 4.01Å; E381-L411 PolarHBondContact N-O 3.17Å; E381-L411 VanDerWaalsContact N-O 3.12Å; E381-L411 PolarHBondContact O-N 2.97Å
412V93Very high69.5Low0 Ų076.5 Ų76.50%043%0.434CS..EExtended strand (participates in β ladder)trans-121.6145.2-179.1-53.30000111.5L334 I335 V337 L373 D377 L378 I379 L410L334-V412 WeakPolarHBondContact CA-O 3.35Å; I335-V412 HydrophobicContact CB-CG2 4.07Å; I335-V412 PolarHBondContact N-O 3.02Å; I335-V412 PolarHBondContact O-N 3.49Å; V337-V412 HydrophobicContact CG2-CG2 4.02Å; L373-V412 HydrophobicContact CD1-CG1 3.88Å; D377-V412 HydrophobicContact CB-CB 4.06Å; D377-V412 HydrophobicContact CB-CG2 4.12Å; L378-V412 CarbonylContact O-C 3.58Å; L378-V412 VanDerWaalsContact O-CA 3.27Å; L378-V412 WeakPolarHBondContact O-CA 3.43Å; I379-V412 HydrophobicContact CG1-CG1 4.24Å; L410-V412 HydrophobicContact CB-CG1 4.06Å
413Q88.1Confident66.7Low47 Ų4781.5 Ų81.522%0.2247%0.469CS..EExtended strand (participates in β ladder)trans-103.9120.8178.4-169.6-169.4-51.700109.5P332 E333 L334 L378 V380P332-Q413 HydrophobicContact CB-CG 3.57Å; P332-Q413 VanDerWaalsContact CB-NE2 3.28Å; E333-Q413 CarbonylContact O-C 3.6Å; E333-Q413 WeakPolarHBondContact O-CA 3.19Å; L334-Q413 HydrophobicContact CD2-CB 3.92Å; L334-Q413 HydrophobicContact CD2-CG 4.15Å; L378-Q413 HydrophobicContact CB-CB 4.24Å; L378-Q413 PolarHBondContact N-O 2.78Å; L378-Q413 PolarHBondContact O-N 3.47Å; V380-Q413 HydrophobicContact CG2-CB 3.69Å
414R86.8Confident64.2Low53 Ų5383.2 Ų83.220%0.248%0.48CS..EExtended strand (participates in β ladder)trans-112.4124.5-179.6-170.4172.2-68.6153.64.4109.7E333 I335 G372 D377E333-R414 PolarHBondContact N-O 3.41Å; E333-R414 PolarHBondContact O-N 2.75Å; I335-R414 HydrophobicContact CD1-CB 3.78Å; I335-R414 HydrophobicContact CD1-CG 4.39Å; I335-R414 VanDerWaalsContact CD1-CZ 3.46Å; G372-R414 PolarHBondContact O-NH2 3.45Å; D377-R414 VanDerWaalsContact CG-NH2 3.35Å; D377-R414 IonicContact OD1-CZ 2.74Å; D377-R414 IonicContact OD1-NE 2.99Å; D377-R414 PolarHBondContact OD1-NE 3.12Å; D377-R414 IonicContact OD1-NH2 3.01Å; D377-R414 PolarHBondContact OD1-NH2 2.88Å; D377-R414 IonicContact OD2-CZ 3.32Å; D377-R414 IonicContact OD2-NE 2.66Å; D377-R414 IonicContact OD2-NH2 3.4Å; D377-R414 PolarHBondContact OD2-NH2 2.83Å
415G65.3Low61.6Low51 Ų5185.9 Ų85.953%0.52649%0.492SS..SBendtrans76.6166.6-172.800000114.5P332P332-G415 WeakPolarHBondContact CB-O 3.33Å
416G52.1Low59.2Low55 Ų5589 Ų8957%0.56751%0.505SS*.  trans98.2134.7179.800000114.6
417L38.3Very low56.4Low164 Ų16496.3 Ų96.386%0.85954%0.536SS*.PPolyproline II helixtrans-79.9138.5174.2-76.4166.7000111.3V419L417-V419 PolarHBondContact O-N 3.25Å
418P34.5Very low54.1Low71 Ų7195.8 Ų95.846%0.46154%0.542SS..PPolyproline II helixtrans-76119.8170.730.4-31.6000110.6
419V31.2Very low51Low127 Ų127102.7 Ų102.777%0.7758%0.578SS**PPolyproline II helixtrans-85.3121.5179.8-179.50000110.9L417 K421L417-V419 PolarHBondContact O-N 3.25Å; V419-K421 PolarHBondContact O-N 2.78Å
420P32.5Very low47.8Very low109 Ų109106.7 Ų106.771%0.70859%0.594SS**  trans-75.9112.117829.8-33.6000111.5K422P420-K422 PolarHBondContact O-N 3.16Å
421K29.8Very low44.7Very low210 Ų210116 Ų11691%0.91363%0.629SS**  trans-71.5105.8172.8-70.1-179.8179.6174.60110.8V419V419-K421 PolarHBondContact O-N 2.78Å
422K30.7Very low41.7Very low197 Ų197122.6 Ų122.686%0.85766%0.656SS**PPolyproline II helixtrans-98131.9164-77.5-175.2176.5177.50110.8P420P420-K422 PolarHBondContact O-N 3.16Å
423S28.1Very low38.7Very low117 Ų117128.5 Ų128.582%0.81869%0.688SS**PPolyproline II helixtrans-83.1133.9176.7-43.60000111.8
424P32.8Very low35.9Very low124 Ų124131.3 Ų131.381%0.80571%0.712SS**PPolyproline II helixtrans-83.9161.4160.534.4-32.1000111.1
425K30.8Very low33.3Very low211 Ų211137.2 Ų137.292%0.91774%0.743SS**  trans-144.7110.9-175.8-161.5-178.9-170.1-179.30111.6
426S29.4Very low31.5Very low121 Ų121141.9 Ų141.985%0.84676%0.755SS**  trans-156.3164.7169.646.60000110.8
427Q26.8Very low30.4Very low184 Ų184144.1 Ų144.186%0.8676%0.762SS**  trans-114.1-171.6-169.4-42.6176.1-11.700110.2
428P38.3Very low30.1Very low98 Ų98140 Ų14064%0.63675%0.747SS**  cis-132.2-157.4-9.533.1-9.8000113
429L25.8Very low30Very low145 Ų145144.4 Ų144.476%0.75976%0.762SS**  trans78.3141.6170.3-53155.2000115.9
430E25.5Very low29.9Very low120 Ų120145.3 Ų145.356%0.56176%0.757SS**  cis-161.3156.6-22.5-126.4-171.715700111.7
431R28.5Very low29.7Very low196 Ų196144.5 Ų144.574%0.7475%0.754SS**  trans51112.4153.5-63.8-168.9-169.598.113.8121.6
432K27.9Very low29.5Very low175 Ų175140.5 Ų140.576%0.76175%0.747SS**  141.5120.295.7-161.2165.3-177.8179.60117.7
433D28.7Very low29.2Very low123 Ų123136.4 Ų136.466%0.65874%0.743SS**  trans51.3149.1147-50.3-8.4000125.6
434S31.3Very low29.2Very low106 Ų106134.7 Ų134.774%0.74173%0.731SS**  trans74.6152150.5-70.80000120.6
435Q32.1Very low29Very low178 Ų178137 Ų13783%0.83273%0.731SS**  cis-171.9164.6-30.7-125.4178.8-13.400109.5
436N26Very low28.9Very low149 Ų149137.8 Ų137.880%0.79773%0.728SS**  trans67.8145.8173.6-116.721.4000116.3
437S29.1Very low29Very low102 Ų102136.5 Ų136.571%0.71372%0.719SS**  cis71.9141.940.9-126.10000113.8
438S33.3Very low29Very low77 Ų77134.7 Ų134.754%0.53872%0.715SS.*  cis-168.2148.619.250.80000114.2
439Q31Very low28.6Very low163 Ų163137.7 Ų137.776%0.76272%0.719SS**  trans58.9169.5148.2-62.4160.4-33.800117.9
440H30.4Very low28.8Very low146 Ų146136.6 Ų136.668%0.67672%0.719SS**  cis-138.6149.31.4-98.7-60.3000108.3
441S27.1Very low28.9Very low92 Ų92135.6 Ų135.664%0.64373%0.732SS**  60.314175.9-40.10000115.7
442V26.2Very low28.9Very low126 Ų126131.8 Ų131.876%0.76474%0.735SS**  cis-170.3152.5-24.2-85.40000108.8
443S25.1Very low29.6Very low111 Ų111129.6 Ų129.678%0.77674%0.739SS**  trans64.5165.7151.880.70000119.1
444S27.3Very low29.5Very low81 Ų81128 Ų12857%0.56674%0.737SS**  cis-163.7164-5.4-133.10000115.2
445H28.8Very low29.5Very low173 Ų173131.2 Ų131.280%0.80174%0.74SS**  trans62116145.4-59.1-36.3000125.9
446R29.3Very low29.3Very low228 Ų228127.2 Ų127.286%0.8673%0.732SS**  83.1101.8109.3-160.8178.3-168.7-154.53.6123.7
447S31.3Very low29.3Very low93 Ų93125.2 Ų125.265%0.6573%0.725SS**  71.4125.7128-56.50000126.1
448L26.8Very low29.3Very low147 Ų147128.8 Ų128.877%0.7773%0.73SS**  trans80.9159.3132.6-69.6170.3000122.5
449H28.9Very low28.8Very low160 Ų160131.4 Ų131.474%0.74174%0.743SS**  trans79149.1169.3-59.2-73.1000118.2
450T30.1Very low28.7Very low123 Ų123131 Ų13176%0.75575%0.745SS**  cis-173.9160.7-45.720.70000109.2
451A27.3Very low29.2Very low99 Ų99129.1 Ų129.182%0.81875%0.745SS**  trans7915715800000120.8
452S27.8Very low28.9Very low115 Ų115133.2 Ų133.280%0.80475%0.754SS**  trans-139.1166.9-179-45.30000110.4
453P43.1Very low29.1Very low130 Ų130136.8 Ų136.884%0.84476%0.76SS**  trans-124.7177.4154.621.5-0.4000113.9
454S27.7Very low30.2Very low88 Ų88136.9 Ų136.962%0.61576%0.758SS**  trans-141.9-174.2-150.944.90000116.9
455H30.6Very low30.9Very low175 Ų175138.4 Ų138.481%0.8177%0.766SS**  trans87.6152.7167.2-50.3-71.9000117.7
456S27.5Very low30.8Very low94 Ų94134.1 Ų134.166%0.65776%0.76SS**  cis-172.8-172.6-24.161.70000108.8
457T27.4Very low30.6Very low106 Ų106132.4 Ų132.465%0.6576%0.762SS**  cis-166.8141.13.410000111.2
458Q28.4Very low30.3Very low178 Ų178131.9 Ų131.983%0.83276%0.763SS**  trans65.8164.3153.1-59.3-178.3800118.6
459V23.5Very low30.1Very low132 Ų132134.2 Ų134.280%0.877%0.77SS**  cis-144.3166.227.3175.90000112.5
460L27.3Very low30.1Very low155 Ų155130.9 Ų130.981%0.81277%0.77SS**  trans-117168.7178.1-135.182.8000111.2
461P41.9Very low30.4Very low105 Ų105130.6 Ų130.668%0.68277%0.771SS**  -161.5175.164.444-21000121.3
462E21Very low30.2Very low179 Ų179132 Ų13284%0.83676%0.764SS**  trans74.4166.5144.2-94.6158.2105.200128
463F29.4Very low30.1Very low200 Ų200134.3 Ų134.388%0.87776%0.763SS**  trans-137.4-167.1-160.6-95.3-90.5000110.6
464P49.1Very low29.3Very low113 Ų113135.4 Ų135.473%0.73477%0.767SS**  cis-122.1-126.3-1028.8-1.8000110.7
465P42.4Very low29.2Very low113 Ų113138.4 Ų138.473%0.73478%0.776SS**  cis-137-169.2-2642.6-22.9000117.1
466A26.5Very low28.9Very low83 Ų83135.6 Ų135.669%0.68678%0.776SS**  trans66.7131.9161.100000119.9
467E24.1Very low29.1Very low193 Ų193137 Ų13790%0.90279%0.786SS**  cis79.2139.643.5-69-170.1117.600115
468A25.6Very low29.3Very low81 Ų81135.6 Ų135.667%0.66979%0.792SS**  cis-159.8166.7-14.600000108.5
469Q22.5Very low29.5Very low196 Ų196136.3 Ų136.392%0.91680%0.796SS**  167168.494.6-84.6-169-47.800111.3
470A28Very low30.3Very low90 Ų90139.7 Ų139.774%0.74480%0.8SS**  trans-133.7164164.600000109.8
471P37.5Very low30.7Very low117 Ų117142 Ų14276%0.7680%0.803SS**  -139.7-15785.839.4-20.8000111.3
472D23.5Very low30.9Very low129 Ų129141 Ų14169%0.6980%0.797SS**  cis-152.6-158.87-145.3-59.5000111.6
473Q26.1Very low32.1Very low164 Ų164136 Ų13677%0.76678%0.776SS**  trans-95.5153.1-165.9-63.2154.989.500116.7
474T25.7Very low32.4Very low153 Ų153131.2 Ų131.294%0.93977%0.765SS**  -157.7159.3123.9-1.60000110.9
475D25.4Very low32.2Very low150 Ų150133 Ų13380%0.80276%0.761SS**  trans-103.3149.9-164.5-178.728.8000114
476S24.6Very low32.3Very low116 Ų116134.1 Ų134.181%0.81176%0.755SS**  trans-178.8141.6150.7-840000113.2
477S31.6Very low33.4Very low125 Ų125132.3 Ų132.387%0.87473%0.733SS**  trans-78.2152.7-172.259.70000116.1
478G30.6Very low34.2Very low75 Ų75130.6 Ų130.677%0.77372%0.718SS**  trans-167.239.2176.800000116.6K480G478-K480 PolarHBondContact O-N 2.89Å
479Q33.3Very low35.1Very low194 Ų194129.1 Ų129.191%0.90771%0.706SS**PPolyproline II helixtrans-68.2122.4-179.9-78.2-164.2-15.900112.9
480K40.4Very low35.8Very low202 Ų202126.1 Ų126.188%0.87869%0.692SS**PPolyproline II helixtrans-75.6128.4159.7-78.1-177.4173.7178.20109.4G478G478-K480 PolarHBondContact O-N 2.89Å
481K35.9Very low36.4Very low203 Ų203124 Ų12488%0.88367%0.672SS**PPolyproline II helixtrans-56.3133177.5-65.7-173.9177.1-173.60110.8
482P46.8Very low36.6Very low86 Ų86125.7 Ų125.756%0.55866%0.663SS**PPolyproline II helixtrans-73.6160.2174.328.6-31.4000112.3I487P482-I487 HydrophobicContact CG-CD1 4.14Å; P482-I487 HydrophobicContact CG-CG1 4.19Å
483D44.7Very low37.5Very low74 Ų74122.5 Ų122.540%0.39665%0.651SS.*PPolyproline II helixtrans-59.1124.4176.8168.16.9000112F485 K486 I487D483-F485 PolarHBondContact O-N 2.85Å; D483-F485 VanDerWaalsContact O-N 3.15Å; D483-F485 WeakPolarHBondContact OD1-CB 3.42Å; D483-F485 PolarHBondContact OD1-N 3.05Å; D483-K486 HydrophobicContact CB-CB 4.33Å; D483-K486 HydrophobicContact CB-CD 4.06Å; D483-K486 HydrophobicContact CB-CG 4.08Å; D483-K486 WeakPolarHBondContact O-CB 3.48Å; D483-K486 PolarHBondContact O-N 3.18Å; D483-K486 WeakPolarHBondContact OD2-CE 3.15Å; D483-I487 PolarHBondContact O-N 2.86Å; D483-I487 VanDerWaalsContact O-N 3.14Å
484P36.9Very low38.1Very low99 Ų99121.5 Ų121.564%0.64365%0.648SS**Hα-helixtrans-52.9-34.1178.4-27.835.4000114.4K486 I487 W488P484-K486 VanDerWaalsContact C-N 3.27Å; P484-K486 PolarHBondContact O-N 2.89Å; P484-I487 PolarHBondContact O-N 2.92Å; P484-W488 PolarHBondContact O-N 3.34Å
485F45Very low38.8Very low150 Ų150124.3 Ų124.366%0.65864%0.643SS**Hα-helixtrans-69.4-29.3-180-140.5-88.3000111.9D483 A489D483-F485 PolarHBondContact O-N 2.85Å; D483-F485 VanDerWaalsContact O-N 3.15Å; D483-F485 WeakPolarHBondContact OD1-CB 3.42Å; D483-F485 PolarHBondContact OD1-N 3.05Å; F485-A489 WeakPolarHBondContact O-CB 3.49Å; F485-A489 PolarHBondContact O-N 3.49Å; F485-A489 VanDerWaalsContact O-N 3.13Å
486K44.7Very low39.4Very low137 Ų137124.4 Ų124.460%0.59664%0.639SS**Hα-helixtrans-77.2-35.1173.1-64.6-178.9-170.9179.30112.1D483 P484 W488 A489 Q490D483-K486 HydrophobicContact CB-CB 4.33Å; D483-K486 HydrophobicContact CB-CD 4.06Å; D483-K486 HydrophobicContact CB-CG 4.08Å; D483-K486 WeakPolarHBondContact O-CB 3.48Å; D483-K486 PolarHBondContact O-N 3.18Å; D483-K486 WeakPolarHBondContact OD2-CE 3.15Å; P484-K486 VanDerWaalsContact C-N 3.27Å; P484-K486 PolarHBondContact O-N 2.89Å; K486-W488 VanDerWaalsContact C-N 3.35Å; K486-A489 PolarHBondContact O-N 3.35Å; K486-Q490 WeakPolarHBondContact O-CB 3.39Å; K486-Q490 PolarHBondContact O-N 2.95Å
487I48.5Very low39.8Very low45 Ų45124.6 Ų124.623%0.23163%0.631CS.*Hα-helixtrans-60.3-47.6172.6-59173.8000109.7Y66 P482 D483 P484 Q490 S491Y66-I487 HydrophobicContact CD1-CG2 4.29Å; Y66-I487 HydrophobicContact CE1-CG2 3.61Å; P482-I487 HydrophobicContact CG-CD1 4.14Å; P482-I487 HydrophobicContact CG-CG1 4.19Å; D483-I487 PolarHBondContact O-N 2.86Å; D483-I487 VanDerWaalsContact O-N 3.14Å; P484-I487 PolarHBondContact O-N 2.92Å; I487-Q490 PolarHBondContact O-N 2.86Å; I487-S491 VanDerWaalsContact O-CB 3.26Å; I487-S491 WeakPolarHBondContact O-CB 3.44Å; I487-S491 PolarHBondContact O-N 3.01Å
488W41.1Very low39.8Very low156 Ų156128.5 Ų128.559%0.59163%0.626SS**Hα-helixtrans-59.4-49.1176.7-17783.4000112.6P484 K486 Q490 R492P484-W488 PolarHBondContact O-N 3.34Å; K486-W488 VanDerWaalsContact C-N 3.35Å; W488-Q490 PolarHBondContact O-N 3.36Å; W488-R492 PolarHBondContact O-N 3.43Å
489A43.5Very low39.9Very low51 Ų51130.7 Ų130.742%0.42163%0.627SS.*Hα-helixtrans-64.2-38.4179.100000113F485 K486 S493F485-A489 WeakPolarHBondContact O-CB 3.49Å; F485-A489 PolarHBondContact O-N 3.49Å; F485-A489 VanDerWaalsContact O-N 3.13Å; K486-A489 PolarHBondContact O-N 3.35Å; A489-S493 PolarHBondContact O-N 2.86Å
490Q37.8Very low39.6Very low132 Ų132129.5 Ų129.562%0.61762%0.623SS**Hα-helixtrans-80.3-35.6-177.2-169.5157.1-1.500112.8K486 I487 W488 R492 S493 M494K486-Q490 WeakPolarHBondContact O-CB 3.39Å; K486-Q490 PolarHBondContact O-N 2.95Å; I487-Q490 PolarHBondContact O-N 2.86Å; W488-Q490 PolarHBondContact O-N 3.36Å; Q490-R492 VanDerWaalsContact C-N 3.31Å; Q490-R492 PolarHBondContact O-N 3.46Å; Q490-S493 PolarHBondContact O-N 3.45Å; Q490-M494 VanDerWaalsContact O-CG 3.31Å; Q490-M494 WeakPolarHBondContact O-CG 3.41Å; Q490-M494 PolarHBondContact O-N 3.36Å
491S40.3Very low39.1Very low46 Ų46124.8 Ų124.832%0.32262%0.616SS.*Hα-helixtrans-59.3-43.3171.6-178.80000111.2I487 S493 M494 Y495I487-S491 VanDerWaalsContact O-CB 3.26Å; I487-S491 WeakPolarHBondContact O-CB 3.44Å; I487-S491 PolarHBondContact O-N 3.01Å; S491-S493 PolarHBondContact O-N 3.06Å; S491-M494 PolarHBondContact O-N 3.28Å; S491-Y495 PolarHBondContact O-N 3.37Å
492R42.9Very low39.1Very low152 Ų152121 Ų12157%0.57461%0.612SS**Hα-helixtrans-59.1-44.5174-162.5173.9-168.9132.96.9112.7W488 Q490 M494 Y495 E496W488-R492 PolarHBondContact O-N 3.43Å; Q490-R492 VanDerWaalsContact C-N 3.31Å; Q490-R492 PolarHBondContact O-N 3.46Å; R492-M494 PolarHBondContact O-N 3.17Å; R492-Y495 PolarHBondContact O-N 3.26Å; R492-E496 PolarHBondContact O-N 3.25Å
493S40.7Very low38Very low63 Ų63122.6 Ų122.644%0.44163%0.625SS.*Hα-helixtrans-65.1-36178.7-171.20000113.5A489 Q490 S491 E496 N497A489-S493 PolarHBondContact O-N 2.86Å; Q490-S493 PolarHBondContact O-N 3.45Å; S491-S493 PolarHBondContact O-N 3.06Å; S493-E496 PolarHBondContact O-N 2.91Å; S493-N497 PolarHBondContact O-N 3.35Å; S493-N497 PolarHBondContact O-ND2 2.84Å
494M39.7Very low37.7Very low142 Ų142125.3 Ų125.370%0.765%0.647SS**Hα-helixtrans-72.2-30.8179-69.8-69.8-70.800113.1Q490 S491 R492Q490-M494 VanDerWaalsContact O-CG 3.31Å; Q490-M494 WeakPolarHBondContact O-CG 3.41Å; Q490-M494 PolarHBondContact O-N 3.36Å; S491-M494 PolarHBondContact O-N 3.28Å; R492-M494 PolarHBondContact O-N 3.17Å
495Y40.5Very low37.2Very low213 Ų213125 Ų12584%0.83565%0.652SS**Hα-helixtrans-76.6-25.1175.9-112.3-83.5000113.5S491 R492S491-Y495 PolarHBondContact O-N 3.37Å; R492-Y495 PolarHBondContact O-N 3.26Å
496E37.3Very low36.5Very low151 Ų151123.6 Ų123.671%0.70666%0.662SS**Hα-helixtrans-89.7-17.4-174.2-161.1159.7-147.300113.4R492 S493R492-E496 PolarHBondContact O-N 3.25Å; S493-E496 PolarHBondContact O-N 2.91Å
497N33.3Very low35.5Very low120 Ų120120.6 Ų120.664%0.64267%0.669SS**  trans-122.255.3-172.5-74.8-70.5000114.8S493S493-N497 PolarHBondContact O-N 3.35Å; S493-N497 PolarHBondContact O-ND2 2.84Å
498R31.4Very low34.5Very low208 Ų208127 Ų12779%0.78570%0.703SS**  trans-114.599.4167.5-163.9177.6-167.6-142.42.6112.5M500R498-M500 PolarHBondContact O-N 3.12Å
499P32.3Very low33.9Very low120 Ų120124.8 Ų124.878%0.77971%0.711SS**PPolyproline II helixtrans-64.8126.4169.1-17.531000110.5
500M26.9Very low33Very low169 Ų169132.2 Ų132.283%0.83373%0.734SS**PPolyproline II helixtrans-83.4118.9174.9-158.167.8168.300109.7R498R498-M500 PolarHBondContact O-N 3.12Å
501S30.4Very low32.5Very low104 Ų104129.1 Ų129.173%0.72774%0.737SS**PPolyproline II helixtrans-82.7144-179.347.20000112.5
502P36Very low31.9Very low123 Ų123134 Ų13480%0.79976%0.755SS**PPolyproline II helixtrans-85.2162.2179.134.9-35.7000112.7
503S25Very low31.3Very low120 Ų120135.6 Ų135.684%0.83976%0.761SS**  trans-158.7152.7175.7-87.40000110
504P37.6Very low30.7Very low130 Ų130138.5 Ų138.584%0.84477%0.768SS**  -122.9162.6-9939.9-34.2000116
505A26.8Very low30.3Very low92 Ų92140.8 Ų140.876%0.7677%0.769SS**  trans-148130.6170.500000114.3
506S28.9Very low29.6Very low122 Ų122137.6 Ų137.685%0.85376%0.762SS**  trans57.568.3139.3-51.80000121.9
507G25.3Very low29.2Very low73 Ų73138.4 Ų138.475%0.75377%0.769SS**  55.7145.7112.200000125
508L27.8Very low28.8Very low181 Ų181139.4 Ų139.495%0.94877%0.774SS**  trans104.4130.6149-63.6169.4000121.2
509S27.1Very low28.6Very low109 Ų109135.3 Ų135.376%0.76278%0.777SS**  trans68108.3158.2-151.90000118.3
510K26.1Very low28.5Very low206 Ų206135.1 Ų135.190%0.89677%0.774SS**  cis89.9112.646.9-178.2-165177.6-1720113.3
511G26.8Very low28.5Very low67 Ų67135 Ų13569%0.69178%0.777SS**  trans161.194.4165.200000116.9
512E28Very low28.5Very low150 Ų150139.8 Ų139.870%0.70179%0.785SS**  trans44125140.1-61.2-176.2110.200121.4
513R30.3Very low28.1Very low185 Ų185137.3 Ų137.370%0.69878%0.782SS**  63.6134.680.6-95.8-156.9-88.290.33.6113.9
514E27.1Very low28.3Very low124 Ų124140.9 Ų140.958%0.57979%0.785SS**  cis-170155.7-2.2-146.3-179.2150.800110.6
515R30.8Very low27.9Very low190 Ų190140 Ų14072%0.71778%0.781SS**  trans61.5158.2158.5-78.5-161.1172.483.416.7120.2
516E25.7Very low28.6Very low146 Ų146141.7 Ų141.768%0.68279%0.785SS**  cis-168.3136-33.1-131.8178.1131.700107.6
517I30.1Very low29.1Very low167 Ų167142.1 Ų142.186%0.85678%0.776SS**  167.4146.4129.155.5179.1000113.4
518N24.6Very low30.2Very low142 Ų142143.2 Ų143.276%0.75977%0.77SS**  trans64.884.3163.3-157.253000119.6
519S27.1Very low31.9Very low121 Ų121139 Ų13985%0.84675%0.748SS**  trans-96.7103.8165.7-63.10000111.9
520T30.4Very low34Very low117 Ų117138.5 Ų138.572%0.71873%0.73SS**  trans-164102.1155.9-3.10000111.2
521N27.3Very low36.7Very low166 Ų166133.7 Ų133.789%0.88871%0.711SS**  trans-162.5159.5151.2-107.8-39.1000110.5
522F29Very low39.7Very low204 Ų204136.1 Ų136.190%0.89570%0.704SS**PPolyproline II helixtrans-72.5135.8-171.1-84.2-126000111.9
523G28.5Very low42.7Very low72 Ų72131.9 Ų131.974%0.74269%0.685SS**PPolyproline II helixtrans-74.9131.8167.400000110.8
524E28.6Very low45.6Very low194 Ų194127.5 Ų127.591%0.90768%0.675SS**PPolyproline II helixtrans-69141.4-176.5-67.1165.2106.500112.2
525C29.8Very low48.9Very low112 Ų112121.6 Ų121.676%0.75765%0.647SS**PPolyproline II helixtrans-76.6147.8174.2-55.50000110.8I527C525-I527 PolarHBondContact O-N 2.87Å
526P41.6Very low51.9Low128 Ų128116.1 Ų116.183%0.83163%0.629SS**PPolyproline II helixtrans-56.5128.6168.5-22.733.6000110.8
527I38.9Very low55.2Low131 Ų131109.4 Ų109.467%0.67260%0.597SS**PPolyproline II helixtrans-67.2130179.3-56.2174000108.7C525C525-I527 PolarHBondContact O-N 2.87Å
528P48.7Very low58.2Low95 Ų95109.8 Ų109.862%0.61759%0.588SS**PPolyproline II helixtrans-70.7140175.328.7-34000111.4Y530P528-Y530 PolarHBondContact O-N 2.75Å
529D63.4Low61.3Low93 Ų93109 Ų10950%0.49758%0.575SS.*SBendtrans-56.1-12.8175.7-98.316000114.6K617 V618D529-K617 WeakPolarHBondContact O-CA 3.49Å; D529-K617 WeakPolarHBondContact O-CG 3.4Å; D529-K617 WeakPolarHBondContact OD2-CE 3.49Å; D529-K617 IonicContact OD2-NZ 3.84Å; D529-K617 PolarHBondContact OD2-NZ 3.38Å; D529-V618 PolarHBondContact O-N 3.01Å
530Y71.9Confident64.2Low98 Ų98107 Ų10738%0.38455%0.551SS.*EExtended strand (participates in β ladder)trans-129.2134.7-171.6-57.4-91.1000110.9P528 R615 R616 K617P528-Y530 PolarHBondContact O-N 2.75Å; Y530-R615 HydrophobicContact CD1-CG 4.43Å; Y530-R616 WeakPolarHBondContact CA-O 3.41Å; Y530-K617 HydrophobicContact CD1-CB 3.9Å; Y530-K617 HydrophobicContact CD1-CG 4.31Å; Y530-K617 HydrophobicContact CE1-CB 3.76Å; Y530-K617 HydrophobicContact CE1-CD 4.09Å; Y530-K617 HydrophobicContact CE1-CG 4Å
531Q81.8Confident66.6Low106 Ų106110.8 Ų110.850%0.49556%0.56SS.*EExtended strand (participates in β ladder)trans-97119168.4-179.2172.143.300108.6R615 R616 V618Q531-R615 WeakPolarHBondContact O-CA 3.38Å; Q531-R616 PolarHBondContact N-O 3.27Å; Q531-R616 PolarHBondContact O-N 2.77Å; Q531-V618 HydrophobicContact CB-CG2 3.65Å
532E89.9Confident69.1Low118 Ų118107.8 Ų107.855%0.55155%0.548SS*.EExtended strand (participates in β ladder)trans-84.9146.7169.3-56.1-160.5145.800110.4V614 R615E532-V614 CarbonylContact C-O 3.46Å; E532-V614 VanDerWaalsContact CA-O 3.3Å; E532-V614 WeakPolarHBondContact CA-O 3.14Å; E532-R615 HydrophobicContact CG-CB 3.94Å
533Q90.9Very high72Confident61 Ų6199 Ų9929%0.28552%0.515SS..EExtended strand (participates in β ladder)trans-149.9123-174.8-179.4148.765.100110.6I535 V614 R616Q533-I535 HydrophobicContact CG-CD1 4.24Å; Q533-I535 HydrophobicContact CG-CG1 3.93Å; Q533-V614 HydrophobicContact CB-CG2 4.45Å; Q533-V614 PolarHBondContact N-O 3Å; Q533-V614 PolarHBondContact O-N 3.4Å; Q533-R616 VanDerWaalsContact OE1-NH1 3.17Å
534D92.6Very high75.1Confident92 Ų9296.3 Ų96.349%0.49248%0.483SS..EExtended strand (participates in β ladder)trans-85131.7172.2-69.2-47.3000111.4R574 L612 T613D534-R574 PolarHBondContact O-NH1 3.31Å; D534-R574 VanDerWaalsContact O-NH1 3.15Å; D534-L612 CarbonylContact C-O 3.48Å; D534-L612 WeakPolarHBondContact CA-O 3.47Å; D534-T613 WeakPolarHBondContact OD1-CA 3.12Å; D534-T613 VanDerWaalsContact OD1-CB 3.3Å; D534-T613 WeakPolarHBondContact OD1-CB 3.48Å; D534-T613 WeakPolarHBondContact OD1-CG2 3.3Å; D534-T613 PolarHBondContact OD1-OG1 3.23Å
535I94.9Very high78.1Confident0 Ų087.4 Ų87.40%044%0.442CS..EExtended strand (participates in β ladder)trans-134.3107.5-171.5-55.8172.7000108.9Q533 L537 R574 L575 L612 V614Q533-I535 HydrophobicContact CG-CD1 4.24Å; Q533-I535 HydrophobicContact CG-CG1 3.93Å; I535-L537 HydrophobicContact CG2-CD2 3.87Å; I535-L537 HydrophobicContact CG2-CG 4.03Å; I535-R574 HydrophobicContact CD1-CB 4.01Å; I535-R574 HydrophobicContact CG1-CB 4.03Å; I535-R574 HydrophobicContact CG2-CB 4.38Å; I535-L575 HydrophobicContact CD1-CB 4.01Å; I535-L575 HydrophobicContact CD1-CD1 3.55Å; I535-L575 HydrophobicContact CD1-CG 4.41Å; I535-L575 HydrophobicContact CG2-CB 4.44Å; I535-L612 PolarHBondContact N-O 2.97Å; I535-L612 PolarHBondContact O-N 3.2Å; I535-V614 HydrophobicContact CD1-CG2 3.65Å
536F94.9Very high81.1Confident76 Ų7683.2 Ų83.233%0.33341%0.412SS..EExtended strand (participates in β ladder)trans-94.2121176.8-172.4-86.5000110.5W538 R574 H609 V610 N611F536-W538 HydrophobicContact CE1-CD2 4.11Å; F536-W538 AromaticContact CE1-CE2 3.68Å; F536-W538 HydrophobicContact CE1-CG 4.4Å; F536-W538 AromaticContact CE1-CZ2 3.97Å; F536-W538 HydrophobicContact CE1-CZ2 3.97Å; F536-W538 AromaticContact CE1-NE1 3.7Å; F536-W538 HydrophobicContact CZ-CZ2 4.37Å; F536-R574 PolarHBondContact O-NH2 2.8Å; F536-H609 HydrophobicContact CE1-CB 3.9Å; F536-H609 HydrophobicContact CE2-CB 4.09Å; F536-H609 AromaticContact CE2-CG 3.99Å; F536-H609 HydrophobicContact CZ-CB 3.43Å; F536-H609 VanDerWaalsContact CZ-CB 3.43Å; F536-H609 AromaticContact CZ-CD2 4Å; F536-H609 AromaticContact CZ-CG 3.56Å; F536-V610 CarbonylContact C-O 3.56Å; F536-V610 WeakPolarHBondContact CA-O 3.42Å; F536-N611 HydrophobicContact CD2-CB 4.07Å
537L94.1Very high83.5Confident4 Ų485.1 Ų85.12%0.02140%0.402CS..EExtended strand (participates in β ladder)trans-120.6126-177.2-59.7177.8000111.4I535 F544 F546 A569 D572 L575 H609 V610 L612I535-L537 HydrophobicContact CG2-CD2 3.87Å; I535-L537 HydrophobicContact CG2-CG 4.03Å; L537-F544 HydrophobicContact CB-CD1 4.25Å; L537-F546 HydrophobicContact CD1-CD1 4.11Å; L537-F546 HydrophobicContact CD1-CE1 3.85Å; L537-A569 HydrophobicContact CD1-CB 3.9Å; L537-D572 HydrophobicContact CD2-CB 3.45Å; L537-D572 VanDerWaalsContact CD2-CB 3.45Å; L537-L575 HydrophobicContact CD1-CD2 4.37Å; L537-H609 CarbonylContact O-C 3.55Å; L537-H609 VanDerWaalsContact O-CA 3.23Å; L537-H609 WeakPolarHBondContact O-CA 3.29Å; L537-V610 HydrophobicContact CB-CG1 4.03Å; L537-V610 PolarHBondContact N-O 3.35Å; L537-V610 PolarHBondContact O-N 2.78Å; L537-L612 HydrophobicContact CD1-CD1 3.95Å
538W92.6Very high86Confident175 Ų17580.3 Ų80.366%0.66338%0.378SS*.EExtended strand (participates in β ladder)trans-76.6139.7166.7-70.8101.6000110.9F536 K540 A568 H609F536-W538 HydrophobicContact CE1-CD2 4.11Å; F536-W538 AromaticContact CE1-CE2 3.68Å; F536-W538 HydrophobicContact CE1-CG 4.4Å; F536-W538 AromaticContact CE1-CZ2 3.97Å; F536-W538 HydrophobicContact CE1-CZ2 3.97Å; F536-W538 AromaticContact CE1-NE1 3.7Å; F536-W538 HydrophobicContact CZ-CZ2 4.37Å; W538-K540 PolarHBondContact O-N 2.85Å; W538-A568 WeakPolarHBondContact O-CB 3.43Å; W538-H609 HydrophobicContact CD2-CB 4.44Å; W538-H609 HydrophobicContact CE3-CB 3.97Å; W538-H609 HydrophobicContact CZ3-CB 4.17Å
539R91.1Very high87.9Confident127 Ų12780.3 Ų80.348%0.47937%0.372SS..  trans-71.8121.4175.8-180175.5170.9-162.7-6.3109.9F544 A605 G608R539-F544 HydrophobicContact CB-CD1 4.12Å; R539-F544 HydrophobicContact CB-CE1 3.63Å; R539-F544 HydrophobicContact CB-CZ 4.09Å; R539-F544 HydrophobicContact CG-CE1 4.46Å; R539-A605 VanDerWaalsContact CD-O 3.22Å; R539-A605 WeakPolarHBondContact CD-O 3.19Å; R539-A605 PolarHBondContact NH1-O 2.75Å; R539-G608 VanDerWaalsContact CB-O 3.28Å; R539-G608 WeakPolarHBondContact CB-O 3.36Å; R539-G608 PolarHBondContact N-O 2.84Å
540K87.8Confident88.9Confident77 Ų7777 Ų7734%0.33536%0.359SS..BIsolated β-bridgetrans-85.8174.1165.6-69.5-179.5177.7174.30110.5W538 T542 G543 L566 G567 A568 T571W538-K540 PolarHBondContact O-N 2.85Å; K540-T542 PolarHBondContact O-N 2.86Å; K540-G543 PolarHBondContact N-O 2.99Å; K540-G543 WeakPolarHBondContact O-CA 3.34Å; K540-G543 PolarHBondContact O-N 3.04Å; K540-L566 PolarHBondContact NZ-O 2.8Å; K540-G567 PolarHBondContact NZ-O 2.94Å; K540-A568 HydrophobicContact CD-CB 4.22Å; K540-A568 HydrophobicContact CG-CB 4.11Å; K540-T571 PolarHBondContact NZ-OG1 3.09Å
541E79.6Confident89.2Confident198 Ų19872.3 Ų72.393%0.92534%0.341SS*.THydrogen-bonded Turntrans-53.2-38.4171.5-60.7-177.9163.900112G543E541-G543 PolarHBondContact O-N 2.66Å
542T80.5Confident88.7Confident103 Ų10373.5 Ų73.563%0.63235%0.351SS*.THydrogen-bonded Turntrans-78.49.9174.654.40000114.5K540K540-T542 PolarHBondContact O-N 2.86Å
543G89.6Confident87.7Confident18 Ų1874.6 Ų74.619%0.18636%0.356CS..BIsolated β-bridgetrans84.7-150.2-176.500000113.1K540 E541K540-G543 PolarHBondContact N-O 2.99Å; K540-G543 WeakPolarHBondContact O-CA 3.34Å; K540-G543 PolarHBondContact O-N 3.04Å; E541-G543 PolarHBondContact O-N 2.66Å
544F93.8Very high86.4Confident17 Ų1777.2 Ų77.28%0.07538%0.378CS..THydrogen-bonded Turntrans-84.7-8.9176.8-61-63.2000113.7L537 R539 F546 A568 A569 M601 A604 A605 V610L537-F544 HydrophobicContact CB-CD1 4.25Å; R539-F544 HydrophobicContact CB-CD1 4.12Å; R539-F544 HydrophobicContact CB-CE1 3.63Å; R539-F544 HydrophobicContact CB-CZ 4.09Å; R539-F544 HydrophobicContact CG-CE1 4.46Å; F544-F546 HydrophobicContact CB-CD1 3.92Å; F544-F546 HydrophobicContact CB-CE1 3.65Å; F544-A568 WeakPolarHBondContact O-CB 3.38Å; F544-A569 PolarHBondContact O-N 3.2Å; F544-M601 HydrophobicContact CD2-CE 3.5Å; F544-M601 HydrophobicContact CE2-CE 3.95Å; F544-M601 HydrophobicContact CG-CE 4.3Å; F544-A604 HydrophobicContact CE2-CB 4.3Å; F544-A604 HydrophobicContact CZ-CB 4.27Å; F544-A605 HydrophobicContact CE2-CB 3.89Å; F544-A605 HydrophobicContact CZ-CB 4.48Å; F544-V610 HydrophobicContact CD1-CG1 3.73Å; F544-V610 HydrophobicContact CD2-CG1 4.21Å; F544-V610 HydrophobicContact CE1-CB 4.03Å; F544-V610 HydrophobicContact CE1-CG1 3.67Å; F544-V610 HydrophobicContact CE2-CB 4.21Å; F544-V610 HydrophobicContact CE2-CG1 4.14Å; F544-V610 HydrophobicContact CG-CG1 4Å; F544-V610 HydrophobicContact CZ-CB 3.83Å; F544-V610 HydrophobicContact CZ-CG1 3.88Å
545G90.7Very high85.4Confident6 Ų675.5 Ų75.56%0.06238%0.383CS..SBendtrans71.430.3172.300000115.7V564G545-V564 PolarHBondContact O-N 3.09Å
546F94Very high84.8Confident25 Ų2579.1 Ų79.111%0.1140%0.399CS..EExtended strand (participates in β ladder)trans-144.1160.1169.168.6-86.3000111.3L537 F544 I548 I560 H562 I563 A569 L575 M601 L612L537-F546 HydrophobicContact CD1-CD1 4.11Å; L537-F546 HydrophobicContact CD1-CE1 3.85Å; F544-F546 HydrophobicContact CB-CD1 3.92Å; F544-F546 HydrophobicContact CB-CE1 3.65Å; F546-I548 HydrophobicContact CD2-CG1 4.13Å; F546-I548 HydrophobicContact CE2-CD1 3.98Å; F546-I548 HydrophobicContact CE2-CG1 3.7Å; F546-I560 HydrophobicContact CB-CG2 4.34Å; F546-I560 HydrophobicContact CD2-CD1 3.86Å; F546-I560 HydrophobicContact CD2-CG2 4.21Å; F546-I560 HydrophobicContact CE2-CD1 3.71Å; F546-H562 CarbonylContact C-O 3.52Å; F546-H562 WeakPolarHBondContact CA-O 3.31Å; F546-I563 HydrophobicContact CB-CG1 4.07Å; F546-A569 HydrophobicContact CB-CB 4.19Å; F546-A569 HydrophobicContact CD1-CB 4.03Å; F546-L575 HydrophobicContact CB-CD2 3.97Å; F546-L575 HydrophobicContact CD1-CD2 3.73Å; F546-L575 HydrophobicContact CD2-CD2 4.12Å; F546-L575 HydrophobicContact CE1-CD2 4.21Å; F546-L575 HydrophobicContact CG-CD2 3.69Å; F546-M601 HydrophobicContact CE1-CE 3.97Å; F546-M601 HydrophobicContact CE2-CE 4.32Å; F546-M601 HydrophobicContact CZ-CE 3.45Å; F546-M601 VanDerWaalsContact CZ-CE 3.45Å; F546-M601 HydrophobicContact CZ-SD 4.13Å; F546-L612 HydrophobicContact CE1-CD1 3.69Å; F546-L612 HydrophobicContact CE2-CD1 4.34Å; F546-L612 HydrophobicContact CZ-CD1 3.46Å; F546-L612 VanDerWaalsContact CZ-CD1 3.46Å; F546-L612 HydrophobicContact CZ-CD2 4.29Å
547R91.2Very high84.2Confident168 Ų16878 Ų7863%0.63440%0.399SS*.EExtended strand (participates in β ladder)trans-106.4157170.2-70.5-148.8-93.4-158.1-3.8111.6G561 H562R547-G561 PolarHBondContact O-N 3.31Å; R547-H562 PolarHBondContact N-O 2.89Å
548I91.9Very high84.1Confident30 Ų3078 Ų7815%0.15440%0.399CS..EExtended strand (participates in β ladder)trans-113.1141.5177.3-62.4179000108.7F546 I558 Y559 L581 V597 M601F546-I548 HydrophobicContact CD2-CG1 4.13Å; F546-I548 HydrophobicContact CE2-CD1 3.98Å; F546-I548 HydrophobicContact CE2-CG1 3.7Å; I548-I558 HydrophobicContact CG2-CG2 3.38Å; I548-Y559 WeakPolarHBondContact CA-O 3.43Å; I548-L581 HydrophobicContact CD1-CD2 4.16Å; I548-V597 HydrophobicContact CD1-CG1 3.86Å; I548-M601 HydrophobicContact CD1-CG 3.67Å; I548-M601 HydrophobicContact CD1-SD 4.3Å
549L88Confident84.1Confident95 Ų9573.9 Ų73.950%0.49739%0.385SS..EExtended strand (participates in β ladder)trans-131.6154.7-177.7-58.5176.5000110.5I558 Y559 G561L549-I558 CarbonylContact O-C 3.58Å; L549-I558 WeakPolarHBondContact O-CA 3.49Å; L549-Y559 PolarHBondContact N-O 2.85Å; L549-Y559 PolarHBondContact O-N 2.8Å; L549-G561 VanDerWaalsContact CD1-CA 3.46Å
550G84.8Confident84.2Confident22 Ų2267.9 Ų67.923%0.22736%0.362CS..EExtended strand (participates in β ladder)trans76.8179.8179.800000114H594G550-H594 PolarHBondContact O-ND1 2.88Å
551G77.9Confident84.3Confident1 Ų164.5 Ų64.51%0.0135%0.349CS..  trans83.322.7-177.500000114.3E553 E556 H594G551-E553 VanDerWaalsContact C-N 3.28Å; G551-E553 PolarHBondContact O-N 2.79Å; G551-E556 PolarHBondContact N-OE2 2.89Å; G551-H594 VanDerWaalsContact O-CB 3.31Å; G551-H594 WeakPolarHBondContact O-CB 3.46Å; G551-H594 PolarHBondContact O-N 3.16Å
552N71.9Confident84.8Confident130 Ų13060 Ų6070%0.69533%0.328SS*.SBendtrans-66.4-35.3-179.8-60.8-52.7000111.2E556N552-E556 WeakPolarHBondContact CB-OE2 3.47Å; N552-E556 PolarHBondContact N-OE2 3.34Å; N552-E556 PolarHBondContact ND2-OE2 2.85Å
553E69.8Low85.3Confident141 Ų14156.2 Ų56.266%0.65930%0.303SS*.SBendtrans-116.6149.4175.3-62.4-172.5163.600111.3G551 G555 E556G551-E553 VanDerWaalsContact C-N 3.28Å; G551-E553 PolarHBondContact O-N 2.79Å; E553-G555 PolarHBondContact O-N 3.3Å; E553-G555 VanDerWaalsContact O-N 3.1Å; E553-E556 HydrophobicContact CB-CG 4.46Å; E553-E556 PolarHBondContact O-N 2.95Å
554P63.1Low85.4Confident117 Ų11758.2 Ų58.276%0.7631%0.312SS*.THydrogen-bonded Turntrans-62.4113.2177.7-19.632.4000111.3
555G70.6Confident85Confident56 Ų5661.6 Ų61.658%0.57734%0.335SS*.THydrogen-bonded Turntrans115.9-16.4-175.300000114.1E553E553-G555 PolarHBondContact O-N 3.3Å; E553-G555 VanDerWaalsContact O-N 3.1Å
556E82.6Confident84.8Confident75 Ų7568.1 Ų68.135%0.3537%0.368SS..  trans-65.5137.3170.1-79.9-159.8132.700111.3G551 N552 E553G551-E556 PolarHBondContact N-OE2 2.89Å; N552-E556 WeakPolarHBondContact CB-OE2 3.47Å; N552-E556 PolarHBondContact N-OE2 3.34Å; N552-E556 PolarHBondContact ND2-OE2 2.85Å; E553-E556 HydrophobicContact CB-CG 4.46Å; E553-E556 PolarHBondContact O-N 2.95Å
557P83.2Confident84.4Confident52 Ų5267 Ų6734%0.33836%0.363SS..  trans-69.1148.917028.5-33.7000111.6Y559 E580P557-Y559 HydrophobicContact CB-CE2 3.87Å; P557-Y559 HydrophobicContact CG-CE2 3.72Å; P557-E580 HydrophobicContact CB-CG 4.27Å; P557-E580 WeakPolarHBondContact CB-OE1 3.36Å
558I91.6Very high84.4Confident4 Ų459.3 Ų59.32%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-113.9129.4-175.4-64179.8000108.6I548 L549 E580 L581 V597I548-I558 HydrophobicContact CG2-CG2 3.38Å; L549-I558 CarbonylContact O-C 3.58Å; L549-I558 WeakPolarHBondContact O-CA 3.49Å; I558-E580 CarbonylContact O-C 3.58Å; I558-E580 WeakPolarHBondContact O-CG 3.4Å; I558-L581 HydrophobicContact CG2-CB 4.32Å; I558-L581 HydrophobicContact CG2-CD2 4.32Å; I558-L581 PolarHBondContact O-N 3.15Å; I558-V597 HydrophobicContact CD1-CB 4.48Å; I558-V597 HydrophobicContact CD1-CG2 3.49Å; I558-V597 VanDerWaalsContact CD1-CG2 3.49Å
559Y93.3Very high84.4Confident90 Ų9057.9 Ų57.935%0.35333%0.329SS..EExtended strand (participates in β ladder)trans-121.5151.3-173.4-61.7-84.5000112.9I548 L549 P557 G561 D579 E580I548-Y559 WeakPolarHBondContact CA-O 3.43Å; L549-Y559 PolarHBondContact N-O 2.85Å; L549-Y559 PolarHBondContact O-N 2.8Å; P557-Y559 HydrophobicContact CB-CE2 3.87Å; P557-Y559 HydrophobicContact CG-CE2 3.72Å; Y559-G561 PolarHBondContact O-N 3.41Å; Y559-D579 CarbonylContact C-O 3.46Å; Y559-D579 WeakPolarHBondContact CA-O 3.49Å; Y559-E580 HydrophobicContact CD1-CB 3.75Å; Y559-E580 HydrophobicContact CD1-CG 3.98Å; Y559-E580 HydrophobicContact CE1-CB 3.68Å; Y559-E580 HydrophobicContact CE1-CG 3.74Å
560I93.4Very high84.6Confident1 Ų156.8 Ų56.81%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-70117.8163.9-52.9-57.1000108.5F546 I563 L575 R576 S577 G578 D579 L581 V614F546-I560 HydrophobicContact CB-CG2 4.34Å; F546-I560 HydrophobicContact CD2-CD1 3.86Å; F546-I560 HydrophobicContact CD2-CG2 4.21Å; F546-I560 HydrophobicContact CE2-CD1 3.71Å; I560-I563 HydrophobicContact CG2-CD1 4.35Å; I560-I563 HydrophobicContact CG2-CG1 4.16Å; I560-L575 HydrophobicContact CD1-CD1 4.12Å; I560-L575 HydrophobicContact CD1-CD2 4.28Å; I560-L575 HydrophobicContact CG1-CD1 3.92Å; I560-L575 HydrophobicContact CG1-CD2 4.4Å; I560-L575 HydrophobicContact CG1-CG 4.2Å; I560-L575 HydrophobicContact CG2-CD2 3.86Å; I560-L575 HydrophobicContact CG2-CG 4.03Å; I560-R576 WeakPolarHBondContact CB-O 3.29Å; I560-S577 WeakPolarHBondContact O-CA 3.48Å; I560-G578 PolarHBondContact O-N 3.27Å; I560-D579 HydrophobicContact CB-CB 4.33Å; I560-D579 HydrophobicContact CG1-CB 3.98Å; I560-D579 PolarHBondContact N-O 2.71Å; I560-L581 HydrophobicContact CD1-CB 4.46Å; I560-V614 HydrophobicContact CG1-CG1 4.36Å
561G89.9Confident84.8Confident6 Ų660.3 Ų60.36%0.06234%0.341CS..EExtended strand (participates in β ladder)trans-84.4-138.4173.600000112.2R547 L549 Y559 I563 S577R547-G561 PolarHBondContact O-N 3.31Å; L549-G561 VanDerWaalsContact CD1-CA 3.46Å; Y559-G561 PolarHBondContact O-N 3.41Å; G561-I563 PolarHBondContact O-N 3.5Å; G561-S577 WeakPolarHBondContact O-CA 3.2Å; G561-S577 VanDerWaalsContact O-CB 3.24Å; G561-S577 WeakPolarHBondContact O-CB 3.28Å; G561-S577 PolarHBondContact O-OG 3.01Å
562H89.3Confident85.5Confident104 Ų10462.7 Ų62.748%0.48135%0.353SS..EExtended strand (participates in β ladder)trans-60.9127178.7-179.5-83.1000112.2F546 R547F546-H562 CarbonylContact C-O 3.52Å; F546-H562 WeakPolarHBondContact CA-O 3.31Å; R547-H562 PolarHBondContact N-O 2.89Å
563I91.6Very high86.2Confident23 Ų2358.7 Ų58.712%0.11834%0.343CS..EExtended strand (participates in β ladder)trans-90.2131.4167.8-67.3179.2000108.5F546 I560 G561 P565 A569 D570 L575F546-I563 HydrophobicContact CB-CG1 4.07Å; I560-I563 HydrophobicContact CG2-CD1 4.35Å; I560-I563 HydrophobicContact CG2-CG1 4.16Å; G561-I563 PolarHBondContact O-N 3.5Å; I563-P565 WeakPolarHBondContact O-CD 3.24Å; I563-A569 HydrophobicContact CG2-CB 4.09Å; I563-D570 HydrophobicContact CG2-CB 3.78Å; I563-L575 VanDerWaalsContact CD1-C 3.43Å; I563-L575 HydrophobicContact CD1-CB 4.07Å; I563-L575 HydrophobicContact CD1-CD2 4.23Å; I563-L575 HydrophobicContact CD1-CG 4.15Å; I563-L575 WeakPolarHBondContact CD1-O 3.26Å
564V90.6Very high87.2Confident60 Ų6056.3 Ų56.336%0.36433%0.328SS..PPolyproline II helixtrans-82.9118.6-174.9-178.80000109.3G545 L566 G567 D570G545-V564 PolarHBondContact O-N 3.09Å; V564-L566 PolarHBondContact O-N 3.12Å; V564-G567 WeakPolarHBondContact O-CA 3.33Å; V564-G567 PolarHBondContact O-N 3.49Å; V564-D570 VanDerWaalsContact O-CB 3.29Å; V564-D570 WeakPolarHBondContact O-CB 3.31Å
565P85.7Confident88.6Confident87 Ų8751 Ų5157%0.56529%0.293SS*.THydrogen-bonded Turntrans-52.8138.6176.9-27.936000112.3I563 G567I563-P565 WeakPolarHBondContact O-CD 3.24Å; P565-G567 PolarHBondContact O-N 3.34Å; P565-G567 VanDerWaalsContact O-N 3.09Å
566L85.7Confident89.6Confident143 Ų14355.1 Ų55.175%0.74929%0.291SS*.THydrogen-bonded Turntrans622.4-172.7-47.8177.1000115.1K540 V564 D570K540-L566 PolarHBondContact NZ-O 2.8Å; V564-L566 PolarHBondContact O-N 3.12Å; L566-D570 PolarHBondContact N-OD2 2.57Å
567G87.4Confident89.9Confident1 Ų155.1 Ų55.11%0.0130%0.299CS..SBendtrans-66.9-178173.200000113.3K540 V564 P565 T571K540-G567 PolarHBondContact NZ-O 2.94Å; V564-G567 WeakPolarHBondContact O-CA 3.33Å; V564-G567 PolarHBondContact O-N 3.49Å; P565-G567 PolarHBondContact O-N 3.34Å; P565-G567 VanDerWaalsContact O-N 3.09Å; G567-T571 PolarHBondContact O-N 3Å; G567-T571 PolarHBondContact O-OG1 2.99Å
568A89.9Confident90Very high8 Ų855.2 Ų55.27%0.06631%0.309CS..Hα-helixtrans-70-50.2-178.600000111.9W538 K540 F544 D570 T571 D572W538-A568 WeakPolarHBondContact O-CB 3.43Å; K540-A568 HydrophobicContact CD-CB 4.22Å; K540-A568 HydrophobicContact CG-CB 4.11Å; F544-A568 WeakPolarHBondContact O-CB 3.38Å; A568-D570 VanDerWaalsContact C-N 3.31Å; A568-D570 PolarHBondContact O-N 3.16Å; A568-T571 PolarHBondContact O-N 3.08Å; A568-D572 PolarHBondContact O-N 3.37Å
569A92.8Very high90.1Very high0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-57.6-39.217500000113.7L537 F544 F546 I563 D572 G573 L575L537-A569 HydrophobicContact CD1-CB 3.9Å; F544-A569 PolarHBondContact O-N 3.2Å; F546-A569 HydrophobicContact CB-CB 4.19Å; F546-A569 HydrophobicContact CD1-CB 4.03Å; I563-A569 HydrophobicContact CG2-CB 4.09Å; A569-D572 PolarHBondContact O-N 3.27Å; A569-G573 PolarHBondContact O-N 3.21Å; A569-L575 HydrophobicContact CB-CB 4.28Å; A569-L575 HydrophobicContact CB-CD2 3.67Å
570D90.9Very high90.1Very high72 Ų7251.7 Ų51.739%0.38530%0.296SS..Hα-helixtrans-66.5-40.2178.6-172.268.1000112.6I563 V564 L566 A568 D572 G573I563-D570 HydrophobicContact CG2-CB 3.78Å; V564-D570 VanDerWaalsContact O-CB 3.29Å; V564-D570 WeakPolarHBondContact O-CB 3.31Å; L566-D570 PolarHBondContact N-OD2 2.57Å; A568-D570 VanDerWaalsContact C-N 3.31Å; A568-D570 PolarHBondContact O-N 3.16Å; D570-D572 VanDerWaalsContact C-N 3.34Å; D570-G573 PolarHBondContact O-N 2.8Å
571T90.1Very high90.1Very high96 Ų9651.8 Ų51.859%0.58930%0.297SS*.Hα-helixtrans-73.1-25.5175.9-59.50000113.2K540 G567 A568K540-T571 PolarHBondContact NZ-OG1 3.09Å; G567-T571 PolarHBondContact O-N 3Å; G567-T571 PolarHBondContact O-OG1 2.99Å; A568-T571 PolarHBondContact O-N 3.08Å
572D91.5Very high90.4Very high51 Ų5152.1 Ų52.127%0.27330%0.297SS..Hα-helixtrans-78.1-36.4172-178.9-88.7000112.3L537 A568 A569 D570 R574L537-D572 HydrophobicContact CD2-CB 3.45Å; L537-D572 VanDerWaalsContact CD2-CB 3.45Å; A568-D572 PolarHBondContact O-N 3.37Å; A569-D572 PolarHBondContact O-N 3.27Å; D570-D572 VanDerWaalsContact C-N 3.34Å; D572-R574 PolarHBondContact O-N 3.26Å; D572-R574 VanDerWaalsContact OD1-CB 3.22Å; D572-R574 WeakPolarHBondContact OD1-CB 3.48Å; D572-R574 WeakPolarHBondContact OD1-CG 3.49Å; D572-R574 IonicContact OD1-CZ 2.6Å; D572-R574 PolarHBondContact OD1-N 3.13Å; D572-R574 IonicContact OD1-NE 2.66Å; D572-R574 PolarHBondContact OD1-NE 3.4Å; D572-R574 IonicContact OD1-NH2 2.64Å; D572-R574 IonicContact OD2-CZ 3.41Å; D572-R574 IonicContact OD2-NE 3.89Å; D572-R574 PolarHBondContact OD2-NE 3.29Å; D572-R574 VanDerWaalsContact OD2-NE 3.15Å; D572-R574 IonicContact OD2-NH2 2.72Å; D572-R574 PolarHBondContact OD2-NH2 3.21Å
573G88.2Confident90.6Very high46 Ų4648.2 Ų48.247%0.47428%0.281SS..  trans70.4-7.1171.600000116.2A569 D570A569-G573 PolarHBondContact O-N 3.21Å; D570-G573 PolarHBondContact O-N 2.8Å
574R89.4Confident90.8Very high91 Ų9147.1 Ų47.134%0.34328%0.275SS..  trans-78-36.3176.3-60.1177.8-74.2171.8-12.9112.1D534 I535 F536 D572 R616D534-R574 PolarHBondContact O-NH1 3.31Å; D534-R574 VanDerWaalsContact O-NH1 3.15Å; I535-R574 HydrophobicContact CD1-CB 4.01Å; I535-R574 HydrophobicContact CG1-CB 4.03Å; I535-R574 HydrophobicContact CG2-CB 4.38Å; F536-R574 PolarHBondContact O-NH2 2.8Å; D572-R574 PolarHBondContact O-N 3.26Å; D572-R574 VanDerWaalsContact OD1-CB 3.22Å; D572-R574 WeakPolarHBondContact OD1-CB 3.48Å; D572-R574 WeakPolarHBondContact OD1-CG 3.49Å; D572-R574 IonicContact OD1-CZ 2.6Å; D572-R574 PolarHBondContact OD1-N 3.13Å; D572-R574 IonicContact OD1-NE 2.66Å; D572-R574 PolarHBondContact OD1-NE 3.4Å; D572-R574 IonicContact OD1-NH2 2.64Å; D572-R574 IonicContact OD2-CZ 3.41Å; D572-R574 IonicContact OD2-NE 3.89Å; D572-R574 PolarHBondContact OD2-NE 3.29Å; D572-R574 VanDerWaalsContact OD2-NE 3.15Å; D572-R574 IonicContact OD2-NH2 2.72Å; D572-R574 PolarHBondContact OD2-NH2 3.21Å; R574-R616 PolarHBondContact O-NH2 3.21Å
575L93.4Very high90.8Very high6 Ų647 Ų473%0.03127%0.273CS..  trans-73.5140.6177.5-159.675.8000110I535 L537 F546 I560 I563 A569 L612 V614I535-L575 HydrophobicContact CD1-CB 4.01Å; I535-L575 HydrophobicContact CD1-CD1 3.55Å; I535-L575 HydrophobicContact CD1-CG 4.41Å; I535-L575 HydrophobicContact CG2-CB 4.44Å; L537-L575 HydrophobicContact CD1-CD2 4.37Å; F546-L575 HydrophobicContact CB-CD2 3.97Å; F546-L575 HydrophobicContact CD1-CD2 3.73Å; F546-L575 HydrophobicContact CD2-CD2 4.12Å; F546-L575 HydrophobicContact CE1-CD2 4.21Å; F546-L575 HydrophobicContact CG-CD2 3.69Å; I560-L575 HydrophobicContact CD1-CD1 4.12Å; I560-L575 HydrophobicContact CD1-CD2 4.28Å; I560-L575 HydrophobicContact CG1-CD1 3.92Å; I560-L575 HydrophobicContact CG1-CD2 4.4Å; I560-L575 HydrophobicContact CG1-CG 4.2Å; I560-L575 HydrophobicContact CG2-CD2 3.86Å; I560-L575 HydrophobicContact CG2-CG 4.03Å; I563-L575 VanDerWaalsContact CD1-C 3.43Å; I563-L575 HydrophobicContact CD1-CB 4.07Å; I563-L575 HydrophobicContact CD1-CD2 4.23Å; I563-L575 HydrophobicContact CD1-CG 4.15Å; I563-L575 WeakPolarHBondContact CD1-O 3.26Å; A569-L575 HydrophobicContact CB-CB 4.28Å; A569-L575 HydrophobicContact CB-CD2 3.67Å; L575-L612 HydrophobicContact CD1-CD1 4.24Å; L575-L612 HydrophobicContact CD2-CD1 4.45Å; L575-V614 HydrophobicContact CD1-CG1 3.9Å; L575-V614 HydrophobicContact CD1-CG2 4.44Å
576R90.2Very high90.9Very high142 Ų14245.6 Ų45.654%0.53628%0.275SS..  trans-137.1148.6178.7-61.8-178.1-170.7170.92.7111.9I560 G578 D579I560-R576 WeakPolarHBondContact CB-O 3.29Å; R576-G578 PolarHBondContact O-N 2.75Å; R576-D579 PolarHBondContact N-OD2 3.09Å; R576-D579 WeakPolarHBondContact O-CB 3.45Å; R576-D579 PolarHBondContact O-N 3.33Å; R576-D579 VanDerWaalsContact O-N 3.12Å
577S89.9Confident91.2Very high75 Ų7541.6 Ų41.652%0.52426%0.256SS..THydrogen-bonded Turntrans-60.5126.5169.1-60.80000110.6I560 G561I560-S577 WeakPolarHBondContact O-CA 3.48Å; G561-S577 WeakPolarHBondContact O-CA 3.2Å; G561-S577 VanDerWaalsContact O-CB 3.24Å; G561-S577 WeakPolarHBondContact O-CB 3.28Å; G561-S577 PolarHBondContact O-OG 3.01Å
578G86.3Confident91.3Very high53 Ų5345.1 Ų45.155%0.54628%0.279SS..THydrogen-bonded Turntrans95.2-3.7-174.500000115I560 R576I560-G578 PolarHBondContact O-N 3.27Å; R576-G578 PolarHBondContact O-N 2.75Å
579D93.1Very high91.4Very high3 Ų344.8 Ų44.82%0.01628%0.276CS..PPolyproline II helixtrans-64.9139.7164.9-66.1-18.4000109.8Y559 I560 R576 V614 R616Y559-D579 CarbonylContact C-O 3.46Å; Y559-D579 WeakPolarHBondContact CA-O 3.49Å; I560-D579 HydrophobicContact CB-CB 4.33Å; I560-D579 HydrophobicContact CG1-CB 3.98Å; I560-D579 PolarHBondContact N-O 2.71Å; R576-D579 PolarHBondContact N-OD2 3.09Å; R576-D579 WeakPolarHBondContact O-CB 3.45Å; R576-D579 PolarHBondContact O-N 3.33Å; R576-D579 VanDerWaalsContact O-N 3.12Å; D579-V614 HydrophobicContact CB-CB 4.08Å; D579-V614 HydrophobicContact CB-CG2 4.12Å; D579-R616 VanDerWaalsContact CG-NH2 3.28Å; D579-R616 IonicContact OD1-CZ 3.63Å; D579-R616 VanDerWaalsContact OD1-CZ 3.32Å; D579-R616 IonicContact OD1-NE 3.52Å; D579-R616 PolarHBondContact OD1-NE 3.35Å; D579-R616 IonicContact OD1-NH2 2.72Å; D579-R616 PolarHBondContact OD1-NH2 3.24Å; D579-R616 VanDerWaalsContact OD1-NH2 3.09Å; D579-R616 IonicContact OD2-CZ 3.62Å; D579-R616 IonicContact OD2-NE 3.44Å; D579-R616 IonicContact OD2-NH2 2.77Å; D579-R616 PolarHBondContact OD2-NH2 3.22Å
580E92.8Very high91.1Very high18 Ų1849.2 Ų49.28%0.08430%0.299CS..EExtended strand (participates in β ladder)trans-92.8130.4176.3-166.9-17516400109.9P557 I558 Y559 V614 R615P557-E580 HydrophobicContact CB-CG 4.27Å; P557-E580 WeakPolarHBondContact CB-OE1 3.36Å; I558-E580 CarbonylContact O-C 3.58Å; I558-E580 WeakPolarHBondContact O-CG 3.4Å; Y559-E580 HydrophobicContact CD1-CB 3.75Å; Y559-E580 HydrophobicContact CD1-CG 3.98Å; Y559-E580 HydrophobicContact CE1-CB 3.68Å; Y559-E580 HydrophobicContact CE1-CG 3.74Å; E580-V614 CarbonylContact O-C 3.53Å; E580-V614 WeakPolarHBondContact O-CA 3.47Å; E580-V614 WeakPolarHBondContact O-CB 3.21Å; E580-R615 HydrophobicContact CB-CG 3.91Å; E580-R615 PolarHBondContact N-O 2.73Å; E580-R615 PolarHBondContact O-N 3.17Å; E580-R615 IonicContact OE1-CZ 2.68Å; E580-R615 IonicContact OE1-NE 2.88Å; E580-R615 IonicContact OE1-NH2 3.46Å; E580-R615 PolarHBondContact OE1-NH2 2.98Å; E580-R615 IonicContact OE2-CZ 3.71Å; E580-R615 IonicContact OE2-NE 3.63Å; E580-R615 PolarHBondContact OE2-NE 3.46Å; E580-R615 IonicContact OE2-NH2 2.68Å; E580-R615 PolarHBondContact OE2-NH2 2.69Å
581L94.4Very high90.5Very high2 Ų247.3 Ų47.31%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-85.6119.6-175.5-176.462.4000110.4I548 I558 I560 V584 V589 V597 L612 V614I548-L581 HydrophobicContact CD1-CD2 4.16Å; I558-L581 HydrophobicContact CG2-CB 4.32Å; I558-L581 HydrophobicContact CG2-CD2 4.32Å; I558-L581 PolarHBondContact O-N 3.15Å; I560-L581 HydrophobicContact CD1-CB 4.46Å; L581-V584 HydrophobicContact CD1-CG2 4.16Å; L581-V584 HydrophobicContact CD2-CG2 3.79Å; L581-V584 HydrophobicContact CG-CG2 4.19Å; L581-V589 HydrophobicContact CB-CG2 4.42Å; L581-V589 HydrophobicContact CD2-CG2 4.25Å; L581-V589 HydrophobicContact CG-CG2 3.84Å; L581-V589 WeakPolarHBondContact O-CG2 3.3Å; L581-V597 HydrophobicContact CD2-CG1 3.82Å; L581-L612 HydrophobicContact CD1-CB 4.16Å; L581-L612 HydrophobicContact CD1-CD2 3.93Å; L581-V614 HydrophobicContact CD1-CG1 3.92Å
582I94.4Very high90.2Very high13 Ų1347.2 Ų47.27%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-102.9-45.8-173.3-61.5-55.4000111.2P588 V589 I590 T613 R615I582-P588 WeakPolarHBondContact O-CA 3.26Å; I582-V589 PolarHBondContact O-N 2.9Å; I582-I590 HydrophobicContact CD1-CD1 3.84Å; I582-I590 HydrophobicContact CD1-CG1 3.86Å; I582-I590 HydrophobicContact CG2-CD1 4.08Å; I582-I590 HydrophobicContact CG2-CG1 4.29Å; I582-T613 WeakPolarHBondContact CA-O 3.35Å; I582-T613 HydrophobicContact CB-CG2 4.31Å; I582-T613 WeakPolarHBondContact CB-O 3.49Å; I582-T613 HydrophobicContact CG2-CG2 4.38Å; I582-T613 PolarHBondContact N-O 3.04Å; I582-R615 HydrophobicContact CD1-CB 4.49Å; I582-R615 HydrophobicContact CD1-CG 3.84Å; I582-R615 HydrophobicContact CG1-CB 4.05Å; I582-R615 HydrophobicContact CG1-CG 3.92Å
583C93.4Very high89.9Confident22 Ų2247.2 Ų47.215%0.14929%0.291CS..EExtended strand (participates in β ladder)trans-137.3150.6175.8-61.40000112.4T587 L612 T613C583-T587 CarbonylContact C-O 3.49Å; C583-T587 WeakPolarHBondContact CA-O 3.3Å; C583-L612 WeakPolarHBondContact O-CA 3.37Å; C583-T613 PolarHBondContact N-O 3.05Å; C583-T613 VanDerWaalsContact N-O 3.11Å; C583-T613 PolarHBondContact O-N 2.93Å
584V95.9Very high89.8Confident0 Ų047.6 Ų47.60%028%0.281CS..EExtended strand (participates in β ladder)trans-123.3120.5166.6-178.50000108.2L581 G586 T587 V589 V597 L600 M601 V610 L612L581-V584 HydrophobicContact CD1-CG2 4.16Å; L581-V584 HydrophobicContact CD2-CG2 3.79Å; L581-V584 HydrophobicContact CG-CG2 4.19Å; V584-G586 PolarHBondContact O-N 2.81Å; V584-T587 PolarHBondContact N-O 2.82Å; V584-T587 VanDerWaalsContact O-CB 3.28Å; V584-T587 WeakPolarHBondContact O-CB 3.47Å; V584-T587 PolarHBondContact O-N 2.76Å; V584-V589 HydrophobicContact CB-CG1 4.4Å; V584-V589 HydrophobicContact CG2-CG1 4.03Å; V584-V597 HydrophobicContact CG2-CG1 4.22Å; V584-L600 HydrophobicContact CB-CB 4.25Å; V584-L600 HydrophobicContact CB-CD1 4.36Å; V584-L600 HydrophobicContact CG1-CB 3.95Å; V584-M601 HydrophobicContact CG1-SD 3.87Å; V584-M601 HydrophobicContact CG2-SD 4.32Å; V584-V610 HydrophobicContact CG1-CG2 3.79Å; V584-L612 HydrophobicContact CG1-CD2 4.32Å; V584-L612 HydrophobicContact CG2-CD2 4.05Å
585D92.1Very high89.7Confident57 Ų5749.9 Ų49.931%0.30530%0.295SS..THydrogen-bonded Turntrans46.544.7-174.7-62.7-49.4000112.9T587 A604 N611D585-T587 PolarHBondContact O-N 2.95Å; D585-A604 VanDerWaalsContact OD2-CB 3.25Å; D585-A604 WeakPolarHBondContact OD2-CB 3.28Å; D585-N611 PolarHBondContact N-O 2.98Å; D585-N611 PolarHBondContact OD1-N 3.19Å
586G86.8Confident89.5Confident59 Ų5952.6 Ų52.661%0.60831%0.309SS*.THydrogen-bonded Turntrans76.2-5.8-177.900000115.6V584 P588V584-G586 PolarHBondContact O-N 2.81Å; G586-P588 WeakPolarHBondContact O-CD 3.23Å
587T92Very high89.5Confident58 Ų5845.9 Ų45.936%0.35628%0.284SS..EExtended strand (participates in β ladder)trans-82.6119.5174.5-570000110C583 V584 D585 V589 L600C583-T587 CarbonylContact C-O 3.49Å; C583-T587 WeakPolarHBondContact CA-O 3.3Å; V584-T587 PolarHBondContact N-O 2.82Å; V584-T587 VanDerWaalsContact O-CB 3.28Å; V584-T587 WeakPolarHBondContact O-CB 3.47Å; V584-T587 PolarHBondContact O-N 2.76Å; D585-T587 PolarHBondContact O-N 2.95Å; T587-V589 PolarHBondContact O-N 2.85Å; T587-L600 HydrophobicContact CG2-CD1 3.85Å; T587-L600 HydrophobicContact CG2-CD2 4.3Å
588P90.8Very high89.5Confident76 Ų7645.2 Ų45.249%0.49428%0.277SS..EExtended strand (participates in β ladder)trans-71.3126.8179.328.1-34000111.4I582 G586I582-P588 WeakPolarHBondContact O-CA 3.26Å; G586-P588 WeakPolarHBondContact O-CD 3.23Å
589V90.6Very high89.8Confident0 Ų049 Ų490%028%0.28CS..  trans-105-5-177.4-58.30000114.1L581 I582 V584 T587 G591 K592 V597 L600L581-V589 HydrophobicContact CB-CG2 4.42Å; L581-V589 HydrophobicContact CD2-CG2 4.25Å; L581-V589 HydrophobicContact CG-CG2 3.84Å; L581-V589 WeakPolarHBondContact O-CG2 3.3Å; I582-V589 PolarHBondContact O-N 2.9Å; V584-V589 HydrophobicContact CB-CG1 4.4Å; V584-V589 HydrophobicContact CG2-CG1 4.03Å; T587-V589 PolarHBondContact O-N 2.85Å; V589-G591 PolarHBondContact O-N 2.79Å; V589-K592 WeakPolarHBondContact O-CB 3.11Å; V589-K592 PolarHBondContact O-N 2.93Å; V589-V597 HydrophobicContact CB-CG2 3.7Å; V589-V597 HydrophobicContact CG1-CG2 3.75Å; V589-V597 HydrophobicContact CG2-CG2 4.34Å; V589-L600 HydrophobicContact CG1-CD1 3.85Å
590I86.2Confident89.8Confident94 Ų9450.6 Ų50.648%0.48229%0.288SS..THydrogen-bonded Turntrans-53126.4172-50.5179.4000109.7I582 K592I582-I590 HydrophobicContact CD1-CD1 3.84Å; I582-I590 HydrophobicContact CD1-CG1 3.86Å; I582-I590 HydrophobicContact CG2-CD1 4.08Å; I582-I590 HydrophobicContact CG2-CG1 4.29Å; I590-K592 PolarHBondContact O-N 3.07Å
591G78.8Confident89.9Confident31 Ų3150.9 Ų50.932%0.3229%0.29SS..THydrogen-bonded Turntrans67.410.2178.900000115.1V589V589-G591 PolarHBondContact O-N 2.79Å
592K84.4Confident89.8Confident94 Ų9456.2 Ų56.241%0.40932%0.315SS..  trans-87.9157.7170.3-54-55.1179.5-173.10110.1V589 I590 L596V589-K592 WeakPolarHBondContact O-CB 3.11Å; V589-K592 PolarHBondContact O-N 2.93Å; I590-K592 PolarHBondContact O-N 3.07Å; K592-L596 HydrophobicContact CB-CD2 4.04Å; K592-L596 HydrophobicContact CD-CD2 4.17Å; K592-L596 HydrophobicContact CG-CD2 4.03Å
593S84.7Confident89.7Confident51 Ų5160 Ų6036%0.35733%0.333SS..  trans-73.1149.1173.760.10000111.5Q595 L596 V597S593-Q595 PolarHBondContact O-N 3.01Å; S593-Q595 VanDerWaalsContact O-N 3.12Å; S593-L596 PolarHBondContact O-N 2.93Å; S593-V597 PolarHBondContact O-N 3.49Å
594H87Confident89.6Confident55 Ų5559 Ų5926%0.25533%0.325SS..Hα-helixtrans-49.5-39.1176.3-17397.6000112.3G550 G551 L596 V597 V598G550-H594 PolarHBondContact O-ND1 2.88Å; G551-H594 VanDerWaalsContact O-CB 3.31Å; G551-H594 WeakPolarHBondContact O-CB 3.46Å; G551-H594 PolarHBondContact O-N 3.16Å; H594-L596 VanDerWaalsContact C-N 3.31Å; H594-L596 PolarHBondContact O-N 2.99Å; H594-V597 PolarHBondContact O-N 2.87Å; H594-V597 VanDerWaalsContact O-N 3.09Å; H594-V598 VanDerWaalsContact CD2-CG2 3.5Å; H594-V598 WeakPolarHBondContact CD2-CG2 3.29Å; H594-V598 WeakPolarHBondContact O-CG2 3.45Å; H594-V598 PolarHBondContact O-N 3Å
595Q86.6Confident89.3Confident139 Ų13959.7 Ų59.765%0.6533%0.331SS*.Hα-helixtrans-59-38.2179.5-169.873-24.600112.9S593 V598 Q599S593-Q595 PolarHBondContact O-N 3.01Å; S593-Q595 VanDerWaalsContact O-N 3.12Å; Q595-V598 PolarHBondContact O-N 3.1Å; Q595-Q599 WeakPolarHBondContact O-CB 3.34Å; Q595-Q599 PolarHBondContact O-N 2.9Å
596L88.3Confident89.2Confident63 Ų6364 Ų6433%0.3335%0.347SS..Hα-helixtrans-68.7-38.7176.1-175.663.3000111.2K592 S593 H594 Q599 L600K592-L596 HydrophobicContact CB-CD2 4.04Å; K592-L596 HydrophobicContact CD-CD2 4.17Å; K592-L596 HydrophobicContact CG-CD2 4.03Å; S593-L596 PolarHBondContact O-N 2.93Å; H594-L596 VanDerWaalsContact C-N 3.31Å; H594-L596 PolarHBondContact O-N 2.99Å; L596-Q599 WeakPolarHBondContact O-CB 3.33Å; L596-Q599 PolarHBondContact O-N 3.46Å; L596-L600 HydrophobicContact CG-CD1 4.37Å; L596-L600 WeakPolarHBondContact O-CG 3.41Å; L596-L600 PolarHBondContact O-N 3.33Å
597V90.3Very high89.3Confident0 Ų066.1 Ų66.10%034%0.341CS..Hα-helixtrans-67-40.6177.1-172.70000111.2I548 I558 L581 V584 V589 S593 H594 Q599 L600 M601I548-V597 HydrophobicContact CD1-CG1 3.86Å; I558-V597 HydrophobicContact CD1-CB 4.48Å; I558-V597 HydrophobicContact CD1-CG2 3.49Å; I558-V597 VanDerWaalsContact CD1-CG2 3.49Å; L581-V597 HydrophobicContact CD2-CG1 3.82Å; V584-V597 HydrophobicContact CG2-CG1 4.22Å; V589-V597 HydrophobicContact CB-CG2 3.7Å; V589-V597 HydrophobicContact CG1-CG2 3.75Å; V589-V597 HydrophobicContact CG2-CG2 4.34Å; S593-V597 PolarHBondContact O-N 3.49Å; H594-V597 PolarHBondContact O-N 2.87Å; H594-V597 VanDerWaalsContact O-N 3.09Å; V597-Q599 VanDerWaalsContact C-N 3.31Å; V597-Q599 PolarHBondContact O-N 3.24Å; V597-L600 PolarHBondContact O-N 2.91Å; V597-M601 HydrophobicContact CG1-CG 4.41Å; V597-M601 WeakPolarHBondContact O-CB 3.19Å; V597-M601 VanDerWaalsContact O-CG 3.29Å; V597-M601 WeakPolarHBondContact O-CG 3.41Å; V597-M601 PolarHBondContact O-N 2.86Å
598V91.3Very high89.2Confident62 Ų6264.4 Ų64.438%0.37634%0.335SS..Hα-helixtrans-60.5-41.3171.71720000111H594 Q595 Q602H594-V598 VanDerWaalsContact CD2-CG2 3.5Å; H594-V598 WeakPolarHBondContact CD2-CG2 3.29Å; H594-V598 WeakPolarHBondContact O-CG2 3.45Å; H594-V598 PolarHBondContact O-N 3Å; Q595-V598 PolarHBondContact O-N 3.1Å; V598-Q602 WeakPolarHBondContact O-CB 3.15Å; V598-Q602 PolarHBondContact O-N 3.12Å
599Q91.5Very high89.3Confident133 Ų13363.3 Ų63.362%0.62132%0.323SS*.Hα-helixtrans-64.5-42.8176.3-175.5175-7.200112.6Q595 L596 V597 Q602 Q603Q595-Q599 WeakPolarHBondContact O-CB 3.34Å; Q595-Q599 PolarHBondContact O-N 2.9Å; L596-Q599 WeakPolarHBondContact O-CB 3.33Å; L596-Q599 PolarHBondContact O-N 3.46Å; V597-Q599 VanDerWaalsContact C-N 3.31Å; V597-Q599 PolarHBondContact O-N 3.24Å; Q599-Q602 PolarHBondContact O-N 3.22Å; Q599-Q603 PolarHBondContact O-N 3.46Å
600L94.2Very high89.5Confident35 Ų3563.3 Ų63.318%0.18332%0.323CS..Hα-helixtrans-62.2-50.9174.7-70.5166.8000111V584 T587 V589 L596 V597 Q602 Q603 A604V584-L600 HydrophobicContact CB-CB 4.25Å; V584-L600 HydrophobicContact CB-CD1 4.36Å; V584-L600 HydrophobicContact CG1-CB 3.95Å; T587-L600 HydrophobicContact CG2-CD1 3.85Å; T587-L600 HydrophobicContact CG2-CD2 4.3Å; V589-L600 HydrophobicContact CG1-CD1 3.85Å; L596-L600 HydrophobicContact CG-CD1 4.37Å; L596-L600 WeakPolarHBondContact O-CG 3.41Å; L596-L600 PolarHBondContact O-N 3.33Å; V597-L600 PolarHBondContact O-N 2.91Å; L600-Q602 VanDerWaalsContact C-N 3.28Å; L600-Q602 PolarHBondContact O-N 2.77Å; L600-Q603 WeakPolarHBondContact O-CA 3.34Å; L600-Q603 WeakPolarHBondContact O-CB 3.24Å; L600-Q603 PolarHBondContact O-N 2.87Å; L600-A604 PolarHBondContact O-N 3.49Å
601M94.3Very high90Very high24 Ų2461.3 Ų61.312%0.11831%0.313CS..Hα-helixtrans-60.3-35.8176.7-71.7-60.4-53.900112.8F544 F546 I548 V584 V597 Q603 A605 V610 L612F544-M601 HydrophobicContact CD2-CE 3.5Å; F544-M601 HydrophobicContact CE2-CE 3.95Å; F544-M601 HydrophobicContact CG-CE 4.3Å; F546-M601 HydrophobicContact CE1-CE 3.97Å; F546-M601 HydrophobicContact CE2-CE 4.32Å; F546-M601 HydrophobicContact CZ-CE 3.45Å; F546-M601 VanDerWaalsContact CZ-CE 3.45Å; F546-M601 HydrophobicContact CZ-SD 4.13Å; I548-M601 HydrophobicContact CD1-CG 3.67Å; I548-M601 HydrophobicContact CD1-SD 4.3Å; V584-M601 HydrophobicContact CG1-SD 3.87Å; V584-M601 HydrophobicContact CG2-SD 4.32Å; V597-M601 HydrophobicContact CG1-CG 4.41Å; V597-M601 WeakPolarHBondContact O-CB 3.19Å; V597-M601 VanDerWaalsContact O-CG 3.29Å; V597-M601 WeakPolarHBondContact O-CG 3.41Å; V597-M601 PolarHBondContact O-N 2.86Å; M601-Q603 VanDerWaalsContact C-N 3.32Å; M601-A605 VanDerWaalsContact O-CB 3.25Å; M601-A605 WeakPolarHBondContact O-CB 3.43Å; M601-A605 PolarHBondContact O-N 3.35Å; M601-V610 HydrophobicContact CE-CG1 4.33Å; M601-V610 HydrophobicContact CE-CG2 4.38Å; M601-V610 HydrophobicContact SD-CG2 3.98Å; M601-L612 HydrophobicContact SD-CD2 3.96Å
602Q92.6Very high90.8Very high114 Ų11459.8 Ų59.853%0.53330%0.298SS..Hα-helixtrans-72.4-26.1176-175.957.79200112.3V598 Q599 L600 K606V598-Q602 WeakPolarHBondContact O-CB 3.15Å; V598-Q602 PolarHBondContact O-N 3.12Å; Q599-Q602 PolarHBondContact O-N 3.22Å; L600-Q602 VanDerWaalsContact C-N 3.28Å; L600-Q602 PolarHBondContact O-N 2.77Å; Q602-K606 WeakPolarHBondContact O-CG 3.28Å
603Q91.5Very high91.3Very high94 Ų9456.4 Ų56.444%0.43929%0.285SS..Hα-helixtrans-77-46.5171.8-176.864.84.900111.3Q599 L600 M601 A605 K606 Q607Q599-Q603 PolarHBondContact O-N 3.46Å; L600-Q603 WeakPolarHBondContact O-CA 3.34Å; L600-Q603 WeakPolarHBondContact O-CB 3.24Å; L600-Q603 PolarHBondContact O-N 2.87Å; M601-Q603 VanDerWaalsContact C-N 3.32Å; Q603-A605 VanDerWaalsContact C-N 3.26Å; Q603-A605 PolarHBondContact O-N 3.1Å; Q603-K606 WeakPolarHBondContact O-CB 3.43Å; Q603-K606 PolarHBondContact O-N 2.91Å; Q603-Q607 PolarHBondContact O-N 2.7Å
604A91.8Very high91.8Very high0 Ų054 Ų540%027%0.269CS..Hα-helixtrans-55.8-41.5172.300000111.5F544 D585 L600 K606 Q607 G608 H609 V610F544-A604 HydrophobicContact CE2-CB 4.3Å; F544-A604 HydrophobicContact CZ-CB 4.27Å; D585-A604 VanDerWaalsContact OD2-CB 3.25Å; D585-A604 WeakPolarHBondContact OD2-CB 3.28Å; L600-A604 PolarHBondContact O-N 3.49Å; A604-K606 PolarHBondContact O-N 2.82Å; A604-K606 VanDerWaalsContact O-N 3.16Å; A604-Q607 WeakPolarHBondContact O-CA 3.37Å; A604-Q607 WeakPolarHBondContact O-CB 3.27Å; A604-Q607 PolarHBondContact O-N 3.43Å; A604-G608 PolarHBondContact O-N 2.76Å; A604-H609 CarbonylContact C-O 3.59Å; A604-H609 WeakPolarHBondContact CB-O 3.16Å; A604-H609 VanDerWaalsContact O-O 3.06Å; A604-V610 HydrophobicContact CB-CB 3.77Å; A604-V610 HydrophobicContact CB-CG2 3.75Å
605A89.8Confident92Very high14 Ų1454.7 Ų54.712%0.11627%0.269CS..Hα-helixtrans-60.2-25.8174.300000114R539 F544 M601 Q603R539-A605 VanDerWaalsContact CD-O 3.22Å; R539-A605 WeakPolarHBondContact CD-O 3.19Å; R539-A605 PolarHBondContact NH1-O 2.75Å; F544-A605 HydrophobicContact CE2-CB 3.89Å; F544-A605 HydrophobicContact CZ-CB 4.48Å; M601-A605 VanDerWaalsContact O-CB 3.25Å; M601-A605 WeakPolarHBondContact O-CB 3.43Å; M601-A605 PolarHBondContact O-N 3.35Å; Q603-A605 VanDerWaalsContact C-N 3.26Å; Q603-A605 PolarHBondContact O-N 3.1Å
606K90.4Very high92.2Very high147 Ų14750 Ų5064%0.63925%0.245SC*.Hα-helixtrans-79.5-33.3172-61.4171.1-159.2159.70112.2Q602 Q603 A604 G608Q602-K606 WeakPolarHBondContact O-CG 3.28Å; Q603-K606 WeakPolarHBondContact O-CB 3.43Å; Q603-K606 PolarHBondContact O-N 2.91Å; A604-K606 PolarHBondContact O-N 2.82Å; A604-K606 VanDerWaalsContact O-N 3.16Å; K606-G608 VanDerWaalsContact C-N 3.27Å
607Q87.9Confident91.5Very high105 Ų10552.3 Ų52.349%0.49125%0.252SS..Hα-helixtrans-70.9-25.6174.7-64.9179.1-9.400112Q603 A604Q603-Q607 PolarHBondContact O-N 2.7Å; A604-Q607 WeakPolarHBondContact O-CA 3.37Å; A604-Q607 WeakPolarHBondContact O-CB 3.27Å; A604-Q607 PolarHBondContact O-N 3.43Å
608G90.6Very high90.4Very high22 Ų2254.8 Ų54.823%0.22727%0.267CS..THydrogen-bonded Turntrans89.84.8177.700000114R539 A604 K606R539-G608 VanDerWaalsContact CB-O 3.28Å; R539-G608 WeakPolarHBondContact CB-O 3.36Å; R539-G608 PolarHBondContact N-O 2.84Å; A604-G608 PolarHBondContact O-N 2.76Å; K606-G608 VanDerWaalsContact C-N 3.27Å
609H92Very high88.5Confident53 Ų5357.8 Ų57.825%0.24529%0.286CS..EExtended strand (participates in β ladder)trans-145.6167.2171.858.860.1000110.3F536 L537 W538 A604F536-H609 HydrophobicContact CE1-CB 3.9Å; F536-H609 HydrophobicContact CE2-CB 4.09Å; F536-H609 AromaticContact CE2-CG 3.99Å; F536-H609 HydrophobicContact CZ-CB 3.43Å; F536-H609 VanDerWaalsContact CZ-CB 3.43Å; F536-H609 AromaticContact CZ-CD2 4Å; F536-H609 AromaticContact CZ-CG 3.56Å; L537-H609 CarbonylContact O-C 3.55Å; L537-H609 VanDerWaalsContact O-CA 3.23Å; L537-H609 WeakPolarHBondContact O-CA 3.29Å; W538-H609 HydrophobicContact CD2-CB 4.44Å; W538-H609 HydrophobicContact CE3-CB 3.97Å; W538-H609 HydrophobicContact CZ3-CB 4.17Å; A604-H609 CarbonylContact C-O 3.59Å; A604-H609 WeakPolarHBondContact CB-O 3.16Å; A604-H609 VanDerWaalsContact O-O 3.06Å
610V96.3Very high86Confident0 Ų058.8 Ų58.80%029%0.288CS..EExtended strand (participates in β ladder)trans-146.1140.5168.765.50000109.8F536 L537 F544 V584 M601 A604 L612F536-V610 CarbonylContact C-O 3.56Å; F536-V610 WeakPolarHBondContact CA-O 3.42Å; L537-V610 HydrophobicContact CB-CG1 4.03Å; L537-V610 PolarHBondContact N-O 3.35Å; L537-V610 PolarHBondContact O-N 2.78Å; F544-V610 HydrophobicContact CD1-CG1 3.73Å; F544-V610 HydrophobicContact CD2-CG1 4.21Å; F544-V610 HydrophobicContact CE1-CB 4.03Å; F544-V610 HydrophobicContact CE1-CG1 3.67Å; F544-V610 HydrophobicContact CE2-CB 4.21Å; F544-V610 HydrophobicContact CE2-CG1 4.14Å; F544-V610 HydrophobicContact CG-CG1 4Å; F544-V610 HydrophobicContact CZ-CB 3.83Å; F544-V610 HydrophobicContact CZ-CG1 3.88Å; V584-V610 HydrophobicContact CG1-CG2 3.79Å; M601-V610 HydrophobicContact CE-CG1 4.33Å; M601-V610 HydrophobicContact CE-CG2 4.38Å; M601-V610 HydrophobicContact SD-CG2 3.98Å; A604-V610 HydrophobicContact CB-CB 3.77Å; A604-V610 HydrophobicContact CB-CG2 3.75Å; V610-L612 HydrophobicContact CG1-CD1 4.28Å; V610-L612 HydrophobicContact CG1-CD2 4.3Å; V610-L612 HydrophobicContact CG1-CG 4.12Å; V610-L612 HydrophobicContact CG2-CD2 3.61Å; V610-L612 HydrophobicContact CG2-CG 4.12Å
611N95.7Very high83.1Confident51 Ų5161.3 Ų61.327%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-102.6127.3165.4-16832.9000110F536 D585F536-N611 HydrophobicContact CD2-CB 4.07Å; D585-N611 PolarHBondContact N-O 2.98Å; D585-N611 PolarHBondContact OD1-N 3.19Å
612L96.3Very high80Confident0 Ų066.2 Ų66.20%035%0.345CS..EExtended strand (participates in β ladder)trans-120.7119.8-177-55.8169.4000109.3D534 I535 L537 F546 L575 L581 C583 V584 M601 V610 V614D534-L612 CarbonylContact C-O 3.48Å; D534-L612 WeakPolarHBondContact CA-O 3.47Å; I535-L612 PolarHBondContact N-O 2.97Å; I535-L612 PolarHBondContact O-N 3.2Å; L537-L612 HydrophobicContact CD1-CD1 3.95Å; F546-L612 HydrophobicContact CE1-CD1 3.69Å; F546-L612 HydrophobicContact CE2-CD1 4.34Å; F546-L612 HydrophobicContact CZ-CD1 3.46Å; F546-L612 VanDerWaalsContact CZ-CD1 3.46Å; F546-L612 HydrophobicContact CZ-CD2 4.29Å; L575-L612 HydrophobicContact CD1-CD1 4.24Å; L575-L612 HydrophobicContact CD2-CD1 4.45Å; L581-L612 HydrophobicContact CD1-CB 4.16Å; L581-L612 HydrophobicContact CD1-CD2 3.93Å; C583-L612 WeakPolarHBondContact O-CA 3.37Å; V584-L612 HydrophobicContact CG1-CD2 4.32Å; V584-L612 HydrophobicContact CG2-CD2 4.05Å; M601-L612 HydrophobicContact SD-CD2 3.96Å; V610-L612 HydrophobicContact CG1-CD1 4.28Å; V610-L612 HydrophobicContact CG1-CD2 4.3Å; V610-L612 HydrophobicContact CG1-CG 4.12Å; V610-L612 HydrophobicContact CG2-CD2 3.61Å; V610-L612 HydrophobicContact CG2-CG 4.12Å; L612-V614 HydrophobicContact CB-CG1 4.38Å
613T94.9Very high77.1Confident23 Ų2366.1 Ų66.114%0.14135%0.354CS..EExtended strand (participates in β ladder)trans-89120.8164.2-48.40000107.1D534 I582 C583D534-T613 WeakPolarHBondContact OD1-CA 3.12Å; D534-T613 VanDerWaalsContact OD1-CB 3.3Å; D534-T613 WeakPolarHBondContact OD1-CB 3.48Å; D534-T613 WeakPolarHBondContact OD1-CG2 3.3Å; D534-T613 PolarHBondContact OD1-OG1 3.23Å; I582-T613 WeakPolarHBondContact CA-O 3.35Å; I582-T613 HydrophobicContact CB-CG2 4.31Å; I582-T613 WeakPolarHBondContact CB-O 3.49Å; I582-T613 HydrophobicContact CG2-CG2 4.38Å; I582-T613 PolarHBondContact N-O 3.04Å; C583-T613 PolarHBondContact N-O 3.05Å; C583-T613 VanDerWaalsContact N-O 3.11Å; C583-T613 PolarHBondContact O-N 2.93Å
614V94.5Very high74.2Confident1 Ų171.4 Ų71.41%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-123.7152.7175.9-57.40000111.1E532 Q533 I535 I560 L575 D579 E580 L581 L612E532-V614 CarbonylContact C-O 3.46Å; E532-V614 VanDerWaalsContact CA-O 3.3Å; E532-V614 WeakPolarHBondContact CA-O 3.14Å; Q533-V614 HydrophobicContact CB-CG2 4.45Å; Q533-V614 PolarHBondContact N-O 3Å; Q533-V614 PolarHBondContact O-N 3.4Å; I535-V614 HydrophobicContact CD1-CG2 3.65Å; I560-V614 HydrophobicContact CG1-CG1 4.36Å; L575-V614 HydrophobicContact CD1-CG1 3.9Å; L575-V614 HydrophobicContact CD1-CG2 4.44Å; D579-V614 HydrophobicContact CB-CB 4.08Å; D579-V614 HydrophobicContact CB-CG2 4.12Å; E580-V614 CarbonylContact O-C 3.53Å; E580-V614 WeakPolarHBondContact O-CA 3.47Å; E580-V614 WeakPolarHBondContact O-CB 3.21Å; L581-V614 HydrophobicContact CD1-CG1 3.92Å; L612-V614 HydrophobicContact CB-CG1 4.38Å
615R92.1Very high71.3Confident68 Ų6877.7 Ų77.726%0.25741%0.414SS..EExtended strand (participates in β ladder)trans-114.2141.7169.975178.4176.2-155.1-5.1112Y530 Q531 E532 E580 I582Y530-R615 HydrophobicContact CD1-CG 4.43Å; Q531-R615 WeakPolarHBondContact O-CA 3.38Å; E532-R615 HydrophobicContact CG-CB 3.94Å; E580-R615 HydrophobicContact CB-CG 3.91Å; E580-R615 PolarHBondContact N-O 2.73Å; E580-R615 PolarHBondContact O-N 3.17Å; E580-R615 IonicContact OE1-CZ 2.68Å; E580-R615 IonicContact OE1-NE 2.88Å; E580-R615 IonicContact OE1-NH2 3.46Å; E580-R615 PolarHBondContact OE1-NH2 2.98Å; E580-R615 IonicContact OE2-CZ 3.71Å; E580-R615 IonicContact OE2-NE 3.63Å; E580-R615 PolarHBondContact OE2-NE 3.46Å; E580-R615 IonicContact OE2-NH2 2.68Å; E580-R615 PolarHBondContact OE2-NH2 2.69Å; I582-R615 HydrophobicContact CD1-CB 4.49Å; I582-R615 HydrophobicContact CD1-CG 3.84Å; I582-R615 HydrophobicContact CG1-CB 4.05Å; I582-R615 HydrophobicContact CG1-CG 3.92Å
616R89.1Confident68.4Low41 Ų4186.2 Ų86.216%0.15545%0.452CS..EExtended strand (participates in β ladder)trans-128.2127-179.9-175.6-177.6-63.8134.22.4109.4Y530 Q531 Q533 R574 D579 V618Y530-R616 WeakPolarHBondContact CA-O 3.41Å; Q531-R616 PolarHBondContact N-O 3.27Å; Q531-R616 PolarHBondContact O-N 2.77Å; Q533-R616 VanDerWaalsContact OE1-NH1 3.17Å; R574-R616 PolarHBondContact O-NH2 3.21Å; D579-R616 VanDerWaalsContact CG-NH2 3.28Å; D579-R616 IonicContact OD1-CZ 3.63Å; D579-R616 VanDerWaalsContact OD1-CZ 3.32Å; D579-R616 IonicContact OD1-NE 3.52Å; D579-R616 PolarHBondContact OD1-NE 3.35Å; D579-R616 IonicContact OD1-NH2 2.72Å; D579-R616 PolarHBondContact OD1-NH2 3.24Å; D579-R616 VanDerWaalsContact OD1-NH2 3.09Å; D579-R616 IonicContact OD2-CZ 3.62Å; D579-R616 IonicContact OD2-NE 3.44Å; D579-R616 IonicContact OD2-NH2 2.77Å; D579-R616 PolarHBondContact OD2-NH2 3.22Å; R616-V618 PolarHBondContact O-N 3.38Å
617K75.4Confident65.5Low111 Ų11186.5 Ų86.548%0.48346%0.461SS..EExtended strand (participates in β ladder)trans-66.9127.6177.1-170.1162.6-172.9147.20110.2D529 Y530D529-K617 WeakPolarHBondContact O-CA 3.49Å; D529-K617 WeakPolarHBondContact O-CG 3.4Å; D529-K617 WeakPolarHBondContact OD2-CE 3.49Å; D529-K617 IonicContact OD2-NZ 3.84Å; D529-K617 PolarHBondContact OD2-NZ 3.38Å; Y530-K617 HydrophobicContact CD1-CB 3.9Å; Y530-K617 HydrophobicContact CD1-CG 4.31Å; Y530-K617 HydrophobicContact CE1-CB 3.76Å; Y530-K617 HydrophobicContact CE1-CD 4.09Å; Y530-K617 HydrophobicContact CE1-CG 4Å
618V66.8Low62.6Low52 Ų5290.3 Ų90.332%0.31548%0.478SS..  trans-87.6116.6-179.3-174.60000109.2D529 Q531 R616 F620D529-V618 PolarHBondContact O-N 3.01Å; Q531-V618 HydrophobicContact CB-CG2 3.65Å; R616-V618 PolarHBondContact O-N 3.38Å; V618-F620 HydrophobicContact CB-CE2 4.48Å; V618-F620 HydrophobicContact CG1-CD2 3.89Å; V618-F620 HydrophobicContact CG1-CE2 3.64Å; V618-F620 HydrophobicContact CG1-CZ 4.11Å
619V50Low60Low125 Ų12594.9 Ų94.976%0.75850%0.502SS*.  trans-103.3100.9173-177.80000108.4A621V619-A621 PolarHBondContact O-N 3.46Å; V619-A621 VanDerWaalsContact O-N 3.12Å
620F40.4Very low57.2Low155 Ų15598.3 Ų98.368%0.6853%0.529SS*.  trans-69.4104.1171.8-77.1-85000110V618 V622V618-F620 HydrophobicContact CB-CE2 4.48Å; V618-F620 HydrophobicContact CG1-CD2 3.89Å; V618-F620 HydrophobicContact CG1-CE2 3.64Å; V618-F620 HydrophobicContact CG1-CZ 4.11Å; F620-V622 PolarHBondContact O-N 3.39Å
621A33.8Very low53.8Low88 Ų88103.6 Ų103.673%0.72757%0.565SS**  trans-73.9111.9168.800000109.3V619 P623V619-A621 PolarHBondContact O-N 3.46Å; V619-A621 VanDerWaalsContact O-N 3.12Å; A621-P623 VanDerWaalsContact O-CD 3.29Å; A621-P623 WeakPolarHBondContact O-CD 3.39Å
622V27.7Very low51.4Low127 Ų127107 Ų10777%0.7759%0.59SS**  trans-64.4119.4175.9177.80000109.5F620 K624F620-V622 PolarHBondContact O-N 3.39Å; V622-K624 PolarHBondContact O-N 3.1Å
623P32.8Very low47.9Very low111 Ų111110.8 Ų110.872%0.72162%0.622SS**  trans-71.6113.1173.3-12.128.4000109.1A621 T625A621-P623 VanDerWaalsContact O-CD 3.29Å; A621-P623 WeakPolarHBondContact O-CD 3.39Å; P623-T625 PolarHBondContact O-N 3.32Å
624K30.3Very low44.6Very low206 Ų206115.7 Ų115.790%0.89666%0.657SS**  trans-77.8105.4167.7-78.4-166.1172.7-168.90109.4V622V622-K624 PolarHBondContact O-N 3.1Å
625T30.4Very low41.5Very low131 Ų131120.5 Ų120.580%0.80469%0.69SS**  trans-84.1117167.950.60000110.2P623P623-T625 PolarHBondContact O-N 3.32Å
626E29Very low38.5Very low194 Ų194125.3 Ų125.391%0.90772%0.715SS**  trans-148.1151.2152.4-133.7172.6151.900109.5
627N29.6Very low35.7Very low153 Ų153131.8 Ų131.882%0.81875%0.747SS**  trans-85.8147.2-168.3-66.9-37.7000112.2
628E28Very low33.4Very low184 Ų184131.4 Ų131.486%0.8676%0.758SS**  -167.5161109.4-94.6-91.672.100110.2
629V35.6Very low31.7Very low119 Ų119133.5 Ų133.572%0.72178%0.775SS**  trans-121.8130.7-168.8168.20000107.3
630P32.2Very low30.6Very low125 Ų125134 Ų13481%0.81277%0.774SS**  -148.6142.589.835.3-15.3000118.1
631S24.8Very low30.1Very low110 Ų110135 Ų13577%0.76978%0.781SS**  trans-99.1175.7146.3-68.70000108.2
632P45.2Very low30.5Very low122 Ų122136 Ų13679%0.79278%0.779SS**  cis-136.7178.88.243.3-26.9000115.3
633A23.1Very low30.4Very low81 Ų81134 Ų13467%0.66978%0.777SS**  162.9121.7109.900000114.2
634S26.4Very low30.1Very low125 Ų125133.6 Ų133.687%0.87478%0.777SS**  trans64.8153.915879.90000117.6
635S29.4Very low30.1Very low102 Ų102131.4 Ų131.471%0.71377%0.774SS**  cis-146.7170-2.558.80000112
636H29.1Very low29.9Very low169 Ų169131 Ų13178%0.78277%0.772SS**  trans-36154.1156.2-41.1-100.8000112.7
637H29.4Very low29.9Very low178 Ų178129.6 Ų129.682%0.82477%0.765SS**  cis-171.8174.24548.3-70.5000114.1
638S28.1Very low29.7Very low102 Ų102128.2 Ų128.271%0.71375%0.753SS**  trans-44.3165.9161.1-540000115.8
639S30.3Very low29.6Very low96 Ų96125.8 Ų125.867%0.67174%0.74SS**  cis-174-176.6-16.855.10000109.5
640N28.2Very low29.4Very low137 Ų137130.8 Ų130.873%0.73375%0.746SS**  trans59.5116.6156.5-67.29.3000121.3
641Q28.6Very low29.2Very low176 Ų176131 Ų13182%0.82275%0.745SS**  31.2157.2112.8-72.7-165.2-600121.7
642P42.3Very low30.3Very low107 Ų107130.7 Ų130.770%0.69574%0.741SS**  cis-143.2-163.6-37.641.4-22.9000112.3
643A25.5Very low29.5Very low87 Ų87133.8 Ų133.872%0.71974%0.744SS**  trans69.3159.515300000118.5
644S26.3Very low29.7Very low102 Ų102133.3 Ų133.371%0.71375%0.748SS**  cis-169.4151.5-24.9-96.60000111.8
645L30Very low29.9Very low159 Ų159132.8 Ų132.883%0.83274%0.744SS**  trans70168.2152.7-69164.5000120.4
646T26.4Very low30Very low124 Ų124136.3 Ų136.376%0.76175%0.749SS**  trans72.2138.6178.167.20000116
647E28.9Very low30.3Very low163 Ų163135.1 Ų135.176%0.76275%0.749SS**  cis-157.8165.6-3.4-126176.9126.800114
648E26.6Very low30.5Very low125 Ų125131.8 Ų131.858%0.58475%0.745SS**  trans51.4109.7143.6-73.1-96.984.800123.6
649K26.4Very low30.9Very low133 Ų133133.9 Ų133.958%0.57875%0.747SS**  91137.7106.4-153.4-170-136.787.90122
650R31.3Very low31.1Very low223 Ų223135.9 Ų135.984%0.84275%0.751SS**  trans91.6123.6150.6-98.8163.2-169.7162.40.3122.5
651T27.9Very low31.3Very low129 Ų129135.7 Ų135.779%0.79176%0.755SS**  trans-86.4-176.2162.118.40000112.1
652P47.8Very low31.2Very low105 Ų105133.6 Ų133.668%0.68275%0.754SS**  cis-139-169.3-10.729.7-5.2000115.9
653Q27.6Very low30.5Very low186 Ų186133.5 Ų133.587%0.86976%0.755SS**  trans102.6118.5130-163.5169.2-1300122.7
654G27.2Very low30.8Very low72 Ų72135.7 Ų135.774%0.74277%0.765SS**  trans95156.4152.300000118.5
655S30.8Very low30.9Very low113 Ų113134.2 Ų134.279%0.7977%0.766SS**  cis-176.6147.6-14.653.50000114.6
656Q31.8Very low31.1Very low177 Ų177133.2 Ų133.283%0.82777%0.773SS**  trans79.1164.5154.1-66.7-72.9-3000121.6
657N33.9Very low31.1Very low144 Ų144130.7 Ų130.777%0.7777%0.772SS**  trans-123.1165.8-160.4-59.2-29.5000115
658S33.8Very low31.2Very low107 Ų107128.7 Ų128.775%0.74878%0.775SS**  158.5127116.3-70.10000119.5
659L37.7Very low31.4Very low146 Ų146128.5 Ų128.576%0.76478%0.783SS**  trans63.7104.2130.6-59.7172.5000126.4
660N34.4Very low31.6Very low138 Ų138128.1 Ų128.174%0.73880%0.797SS**  65153.3111.5-68.68.9000127.8
661T31.1Very low31.4Very low133 Ų133120.7 Ų120.782%0.81679%0.79SS**  trans88.2159.1164.975.40000117.7
662V28.3Very low31.6Very low133 Ų133123.3 Ų123.381%0.80680%0.797SS**  cis-126.2-133.612.3-75.90000115.7
663S27.1Very low30.6Very low104 Ų104122.2 Ų122.273%0.72781%0.805SS**  trans-160.2173.4-143.2-530000116
664S32.1Very low30.8Very low133 Ų133119.9 Ų119.993%0.9381%0.809SS**  trans76.2155.1162.7-54.40000118.5
665G28.1Very low30.8Very low71 Ų71120.3 Ų120.373%0.73281%0.814SS**  cis162.5136.3-13.300000116.2
666S33.3Very low30.7Very low139 Ų139119 Ų11997%0.97282%0.817SS**  trans71.1145.4158.9-59.10000123.4
667G27.6Very low30.5Very low71 Ų71114.5 Ų114.573%0.73282%0.819SS**  trans169.3153.1169.900000114.4
668S29.9Very low30.2Very low120 Ų120111.9 Ų111.984%0.83983%0.826SS**  trans-161.1-176.6-175.9-68.40000110.8
669T31.7Very low29.9Very low122 Ų122110.5 Ų110.575%0.74883%0.829SS**  cis-157.7168.925.753.50000113.2
670S30.6Very low29.8Very low125 Ų125109.7 Ų109.787%0.87484%0.835SS**  trans74.6155.1160.7-51.60000117.7
671G27.2Very low29.6Very low67 Ų67106.4 Ų106.469%0.69183%0.834SS**  cis176.9152.5-7.700000113
672I30.5Very low29.4Very low184 Ų184107 Ų10794%0.94484%0.837SS**  trans15.1129.4169.954.1168.2000122
673G27.5Very low29.4Very low82 Ų82106.5 Ų106.585%0.84583%0.834SS**  trans-173128.1163.300000113.7
674S31.9Very low29.4Very low136 Ų136107.4 Ų107.495%0.95184%0.84SS**  trans-102.3146.1-178.5-56.30000112.3
675G28.3Very low29.6Very low82 Ų82106.4 Ų106.485%0.84583%0.829SS**  trans164.5121.2169.300000111.9
676G27.8Very low30.3Very low84 Ų84109.5 Ų109.587%0.86683%0.833SS**  trans-102.9169.4-174.300000114.7
677G28.3Very low31.5Very low83 Ų83105.7 Ų105.786%0.85680%0.804SS**  trans101.989.8141.500000119.4
678G27.2Very low33Very low89 Ų89109.7 Ų109.792%0.91880%0.804SS**  trans87.5164140.100000118.9
679G26.5Very low35.4Very low78 Ų78107.2 Ų107.280%0.80478%0.784SS**  trans109.353.8159.700000119.2
680S36.2Very low38Very low130 Ų130104.6 Ų104.691%0.90976%0.761SS**  trans36.5119.9147-160.40000121.8
681G30.5Very low40.8Very low68 Ų68102.2 Ų102.270%0.70174%0.739SS**  106.3108.3126.100000119.5
682V26.7Very low43.8Very low145 Ų14599 Ų9988%0.87971%0.706SS**  trans-149.7120.8152.4-114.30000112.2
683V28.2Very low46.7Very low124 Ų12494.5 Ų94.575%0.75268%0.681SS**  trans34109149.1-1740000118.8
684S27.9Very low49.7Very low122 Ų12290.7 Ų90.785%0.85364%0.641SS**  trans-81.9134.3146.5-71.80000109.9
685T35.8Very low52.4Low113 Ų11392.1 Ų92.169%0.69363%0.625SS**  trans-73.8143.5177.445.60000111.5V687T685-V687 PolarHBondContact O-N 3.34Å
686V43Very low55.3Low135 Ų13590.9 Ų90.982%0.81860%0.595SS**  trans-7599.1173.1178.60000109.1Q688V686-Q688 PolarHBondContact O-N 3.16Å
687V57.5Low57.7Low60 Ų6088.6 Ų88.636%0.36457%0.571SS.*  trans-75.9105.8178.3-179.10000110T685 I783 P784T685-V687 PolarHBondContact O-N 3.34Å; V687-I783 HydrophobicContact CG1-CG2 3.93Å; V687-P784 HydrophobicContact CG1-CB 3.91Å; V687-P784 VanDerWaalsContact CG1-CD 3.47Å; V687-P784 HydrophobicContact CG1-CG 3.65Å
688Q59.5Low60Low155 Ų15591.9 Ų91.972%0.72457%0.565SS**  trans-79.1142172.8-67.3-167.59.300111.5V686V686-Q688 PolarHBondContact O-N 3.16Å
689P81.8Confident62.2Low67 Ų6794.8 Ų94.844%0.43556%0.559SS.*  trans-67.6147.5170.6-15.929.3000112.2L752 R781 I782 I783P689-L752 HydrophobicContact CB-CD1 3.93Å; P689-L752 HydrophobicContact CG-CD1 3.84Å; P689-R781 HydrophobicContact CB-CG 4.08Å; P689-I782 CarbonylContact C-O 3.49Å; P689-I782 WeakPolarHBondContact CA-O 3.49Å; P689-I782 WeakPolarHBondContact CB-O 3.23Å; P689-I783 HydrophobicContact CB-CG1 4.37Å; P689-I783 HydrophobicContact CG-CG1 4.2Å
690Y85.9Confident64.9Low67 Ų6793.6 Ų93.626%0.26353%0.532SS..EExtended strand (participates in β ladder)trans-130150.5179.170.5-73.9000111.5V692 K744 D749 I782 P784Y690-V692 HydrophobicContact CD2-CG2 3.63Å; Y690-V692 HydrophobicContact CE2-CG2 3.26Å; Y690-K744 HydrophobicContact CE2-CB 4.45Å; Y690-K744 PolarHBondContact OH-O 2.89Å; Y690-D749 PolarHBondContact OH-OD2 3.21Å; Y690-I782 HydrophobicContact CD1-CB 4.12Å; Y690-I782 HydrophobicContact CD1-CG2 4.31Å; Y690-I782 WeakPolarHBondContact CD1-O 3.41Å; Y690-I782 HydrophobicContact CE1-CB 3.69Å; Y690-I782 HydrophobicContact CE1-CG2 3.46Å; Y690-I782 VanDerWaalsContact CE1-CG2 3.46Å; Y690-I782 PolarHBondContact N-O 3.42Å; Y690-I782 PolarHBondContact O-N 3.05Å; Y690-P784 HydrophobicContact CD1-CG 4Å; Y690-P784 HydrophobicContact CE1-CG 3.7Å
691D88.2Confident67.1Low75 Ų7589.7 Ų89.740%0.40151%0.513SS..EExtended strand (participates in β ladder)trans-98.9133.2-178.4-69.3-25.6000111.8T779 L780 R781D691-T779 HydrophobicContact CB-CG2 4.27Å; D691-L780 CarbonylContact C-O 3.48Å; D691-L780 WeakPolarHBondContact CA-O 3.26Å; D691-R781 VanDerWaalsContact OD1-CA 3.3Å; D691-R781 WeakPolarHBondContact OD1-CA 3.28Å; D691-R781 WeakPolarHBondContact OD1-CB 3.29Å; D691-R781 WeakPolarHBondContact OD1-CG 3.4Å; D691-R781 IonicContact OD1-CZ 2.77Å; D691-R781 IonicContact OD1-NE 3.63Å; D691-R781 PolarHBondContact OD1-NE 3.41Å; D691-R781 IonicContact OD1-NH2 2.66Å; D691-R781 IonicContact OD2-CZ 3.77Å; D691-R781 IonicContact OD2-NE 2.82Å; D691-R781 PolarHBondContact OD2-NE 3.19Å; D691-R781 IonicContact OD2-NH2 2.6Å; D691-R781 PolarHBondContact OD2-NH2 3.5Å
692V90.3Very high69.9Low0 Ų087.2 Ų87.20%048%0.483CS..EExtended strand (participates in β ladder)trans-122.7107.5-176.1-176.80000110Y690 I694 K744 T779 L780 I782Y690-V692 HydrophobicContact CD2-CG2 3.63Å; Y690-V692 HydrophobicContact CE2-CG2 3.26Å; V692-I694 HydrophobicContact CG1-CD1 4.34Å; V692-I694 HydrophobicContact CG1-CG1 3.89Å; V692-K744 HydrophobicContact CG1-CB 3.87Å; V692-K744 HydrophobicContact CG1-CD 4.45Å; V692-K744 HydrophobicContact CG2-CB 4.03Å; V692-T779 CarbonylContact O-C 3.59Å; V692-T779 WeakPolarHBondContact O-CA 3.49Å; V692-L780 PolarHBondContact N-O 3.18Å; V692-L780 PolarHBondContact O-N 3.42Å; V692-I782 HydrophobicContact CB-CG1 4.46Å; V692-I782 HydrophobicContact CG2-CG1 3.93Å
693E90.8Very high72.8Confident90 Ų9081 Ų8142%0.42145%0.448SS..EExtended strand (participates in β ladder)trans-80.1129.2167.1-171.6-177126.500110.2R695 T777 V778E693-R695 HydrophobicContact CG-CG 4.21Å; E693-R695 WeakPolarHBondContact OE1-CD 3.39Å; E693-R695 VanDerWaalsContact OE1-CG 3.31Å; E693-R695 WeakPolarHBondContact OE1-CG 3.25Å; E693-R695 IonicContact OE1-CZ 2.78Å; E693-R695 IonicContact OE1-NE 3.94Å; E693-R695 IonicContact OE1-NH1 2.78Å; E693-R695 PolarHBondContact OE1-NH1 3.44Å; E693-T777 HydrophobicContact CG-CG2 3.58Å; E693-V778 WeakPolarHBondContact CA-O 3.26Å
694I92.1Very high75.7Confident1 Ų176.4 Ų76.41%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-123.3127.4175.6-47.6179.3000107.9V692 F702 F704 P738 A739 L745 T777 V778 L780V692-I694 HydrophobicContact CG1-CD1 4.34Å; V692-I694 HydrophobicContact CG1-CG1 3.89Å; I694-F702 HydrophobicContact CB-CD1 4.21Å; I694-F702 HydrophobicContact CG2-CD1 3.89Å; I694-F702 VanDerWaalsContact O-CE1 3.3Å; I694-F702 WeakPolarHBondContact O-CE1 3.36Å; I694-F704 HydrophobicContact CD1-CD1 4.2Å; I694-F704 HydrophobicContact CD1-CE1 3.96Å; I694-P738 HydrophobicContact CG2-CB 3.62Å; I694-A739 HydrophobicContact CD1-CB 4.08Å; I694-A739 HydrophobicContact CG2-CB 4.44Å; I694-L745 HydrophobicContact CD1-CD2 4.12Å; I694-T777 WeakPolarHBondContact O-CA 3.28Å; I694-V778 HydrophobicContact CB-CG1 4.05Å; I694-V778 PolarHBondContact N-O 2.86Å; I694-V778 PolarHBondContact O-N 3.21Å; I694-L780 HydrophobicContact CD1-CD1 3.75Å; I694-L780 HydrophobicContact CD1-CG 4.49Å
695R88.3Confident78.4Confident166 Ų16673.3 Ų73.363%0.62639%0.394SS*.EExtended strand (participates in β ladder)trans-118127.4-176.2-54.9176.976.7104-4.9110.3E693 P738 N776 T777E693-R695 HydrophobicContact CG-CG 4.21Å; E693-R695 WeakPolarHBondContact OE1-CD 3.39Å; E693-R695 VanDerWaalsContact OE1-CG 3.31Å; E693-R695 WeakPolarHBondContact OE1-CG 3.25Å; E693-R695 IonicContact OE1-CZ 2.78Å; E693-R695 IonicContact OE1-NE 3.94Å; E693-R695 IonicContact OE1-NH1 2.78Å; E693-R695 PolarHBondContact OE1-NH1 3.44Å; R695-P738 WeakPolarHBondContact O-CB 3.21Å; R695-N776 WeakPolarHBondContact CA-O 3.22Å; R695-T777 HydrophobicContact CG-CG2 3.97Å
696R88.8Confident80.8Confident57 Ų5768.9 Ų68.922%0.21537%0.366CS..  trans-117.4148.6-179.871.5-177.5-173.5907.8111.5E700 F702 P738 G775 N776R696-E700 HydrophobicContact CB-CG 3.81Å; R696-E700 VanDerWaalsContact CD-O 3.29Å; R696-E700 WeakPolarHBondContact CD-O 3.45Å; R696-E700 PolarHBondContact NH1-O 2.89Å; R696-F702 HydrophobicContact CB-CD1 3.88Å; R696-F702 HydrophobicContact CB-CE1 3.9Å; R696-F702 HydrophobicContact CG-CD1 3.92Å; R696-F702 HydrophobicContact CG-CE1 3.55Å; R696-F702 HydrophobicContact CG-CE2 4.36Å; R696-F702 HydrophobicContact CG-CG 4.47Å; R696-F702 HydrophobicContact CG-CZ 3.81Å; R696-P738 HydrophobicContact CB-CB 4.29Å; R696-P738 HydrophobicContact CB-CG 3.73Å; R696-G775 PolarHBondContact NE-O 3.27Å; R696-G775 PolarHBondContact NH2-O 3.22Å; R696-N776 PolarHBondContact N-O 3.2Å
697G79.2Confident82.6Confident35 Ų3565.3 Ų65.336%0.36134%0.344SS..  trans-67.2160.3163.300000112.1N699 E700G697-N699 PolarHBondContact O-N 3.14Å; G697-N699 VanDerWaalsContact O-N 3.11Å; G697-E700 PolarHBondContact N-OE1 3.33Å; G697-E700 PolarHBondContact O-N 3.12Å
698E74.8Confident82.8Confident153 Ų15364.4 Ų64.472%0.71534%0.341SS*.THydrogen-bonded Turntrans-57.1-31.7-172.9-66171.4166.500113.6N776E698-N776 WeakPolarHBondContact CG-ND2 3.18Å
699N73.8Confident82.6Confident149 Ų14958.5 Ų58.580%0.79732%0.317SS*.THydrogen-bonded Turntrans-105.83.6-175.2-65.4-58.7000115.1G697G697-N699 PolarHBondContact O-N 3.14Å; G697-N699 VanDerWaalsContact O-N 3.11Å
700E82.9Confident80.8Confident53 Ų5361.4 Ų61.425%0.24833%0.333CS..SBendtrans-110.9157.8174.780.6-174.114400111.1R696 G697 P738 R741R696-E700 HydrophobicContact CB-CG 3.81Å; R696-E700 VanDerWaalsContact CD-O 3.29Å; R696-E700 WeakPolarHBondContact CD-O 3.45Å; R696-E700 PolarHBondContact NH1-O 2.89Å; G697-E700 PolarHBondContact N-OE1 3.33Å; G697-E700 PolarHBondContact O-N 3.12Å; E700-P738 VanDerWaalsContact CD-CG 3.45Å; E700-P738 HydrophobicContact CG-CG 3.86Å; E700-P738 WeakPolarHBondContact OE2-CD 3.31Å; E700-P738 WeakPolarHBondContact OE2-CG 3.5Å; E700-R741 VanDerWaalsContact CD-NH2 3.31Å; E700-R741 IonicContact OE1-CZ 3.39Å; E700-R741 IonicContact OE1-NH1 3.87Å; E700-R741 IonicContact OE1-NH2 3.07Å; E700-R741 PolarHBondContact OE1-NH2 3.24Å; E700-R741 IonicContact OE2-CZ 2.67Å; E700-R741 IonicContact OE2-NH1 3.21Å; E700-R741 PolarHBondContact OE2-NH1 3.39Å; E700-R741 IonicContact OE2-NH2 3.82Å; E700-R741 PolarHBondContact OE2-NH2 3.41Å
701G83.9Confident78.3Confident49 Ų4961.8 Ų61.851%0.50535%0.345SS..  trans-92.8159.5171.600000112.2G703 P738G701-G703 PolarHBondContact O-N 2.87Å; G701-G703 VanDerWaalsContact O-N 3.1Å; G701-P738 WeakPolarHBondContact O-CD 3.48Å; G701-P738 WeakPolarHBondContact O-CG 3.23Å
702F89.4Confident75.5Confident15 Ų1569.4 Ų69.47%0.06637%0.368CS..  trans-61.5-19.8-179.4-68.9-69.2000114.8I694 R696 F704 A739 I771 G775 V778I694-F702 HydrophobicContact CB-CD1 4.21Å; I694-F702 HydrophobicContact CG2-CD1 3.89Å; I694-F702 VanDerWaalsContact O-CE1 3.3Å; I694-F702 WeakPolarHBondContact O-CE1 3.36Å; R696-F702 HydrophobicContact CB-CD1 3.88Å; R696-F702 HydrophobicContact CB-CE1 3.9Å; R696-F702 HydrophobicContact CG-CD1 3.92Å; R696-F702 HydrophobicContact CG-CE1 3.55Å; R696-F702 HydrophobicContact CG-CE2 4.36Å; R696-F702 HydrophobicContact CG-CG 4.47Å; R696-F702 HydrophobicContact CG-CZ 3.81Å; F702-F704 HydrophobicContact CB-CD1 3.98Å; F702-F704 HydrophobicContact CB-CE1 3.67Å; F702-F704 HydrophobicContact CG-CE1 4.5Å; F702-A739 WeakPolarHBondContact O-CB 3.5Å; F702-A739 PolarHBondContact O-N 2.94Å; F702-I771 HydrophobicContact CD2-CG2 3.75Å; F702-I771 HydrophobicContact CE2-CG2 4.19Å; F702-I771 VanDerWaalsContact CE2-O 3.3Å; F702-I771 WeakPolarHBondContact CE2-O 3.17Å; F702-G775 WeakPolarHBondContact CZ-O 3.48Å; F702-V778 HydrophobicContact CD1-CG1 3.72Å; F702-V778 HydrophobicContact CD2-CG1 4.05Å; F702-V778 HydrophobicContact CE1-CB 4.14Å; F702-V778 HydrophobicContact CE1-CG1 3.61Å; F702-V778 HydrophobicContact CE2-CB 4.11Å; F702-V778 HydrophobicContact CE2-CG1 3.95Å; F702-V778 HydrophobicContact CG-CG1 3.94Å; F702-V778 HydrophobicContact CZ-CB 3.82Å; F702-V778 HydrophobicContact CZ-CG1 3.73Å
703G86.4Confident72.8Confident15 Ų1575 Ų7516%0.15541%0.405CS..  trans87.218.7162.800000117.5G701 I734 S737G701-G703 PolarHBondContact O-N 2.87Å; G701-G703 VanDerWaalsContact O-N 3.1Å; G703-I734 WeakPolarHBondContact O-CB 3.48Å; G703-I734 WeakPolarHBondContact O-CG1 3.39Å; G703-I734 PolarHBondContact O-N 3.06Å; G703-S737 WeakPolarHBondContact CA-OG 3.39Å; G703-S737 PolarHBondContact O-OG 2.8Å
704F89.4Confident69.9Low28 Ų2880.1 Ų80.112%0.12343%0.429CS..EExtended strand (participates in β ladder)trans-125.3153.2173.964.5-85.5000111.8I694 F702 I706 I730 R732 I733 A739 L745 I751 I771 L780I694-F704 HydrophobicContact CD1-CD1 4.2Å; I694-F704 HydrophobicContact CD1-CE1 3.96Å; F702-F704 HydrophobicContact CB-CD1 3.98Å; F702-F704 HydrophobicContact CB-CE1 3.67Å; F702-F704 HydrophobicContact CG-CE1 4.5Å; F704-I706 HydrophobicContact CD2-CG1 3.99Å; F704-I706 HydrophobicContact CE2-CD1 3.9Å; F704-I706 HydrophobicContact CE2-CG1 3.81Å; F704-I730 HydrophobicContact CD2-CD1 3.58Å; F704-I730 HydrophobicContact CE2-CD1 4.03Å; F704-I730 HydrophobicContact CG-CD1 4.42Å; F704-R732 CarbonylContact C-O 3.5Å; F704-R732 WeakPolarHBondContact CA-O 3.36Å; F704-I733 HydrophobicContact CB-CG1 4.29Å; F704-A739 HydrophobicContact CB-CB 4.03Å; F704-A739 HydrophobicContact CD1-CB 3.86Å; F704-A739 HydrophobicContact CG-CB 4.39Å; F704-L745 HydrophobicContact CB-CD2 4.02Å; F704-L745 HydrophobicContact CD1-CD2 4.26Å; F704-L745 HydrophobicContact CD2-CD2 4.38Å; F704-L745 HydrophobicContact CG-CD2 3.99Å; F704-I751 HydrophobicContact CE2-CD1 4.15Å; F704-I771 HydrophobicContact CE2-CD1 4.13Å; F704-I771 HydrophobicContact CZ-CD1 3.96Å; F704-I771 HydrophobicContact CZ-CG2 4.26Å; F704-L780 HydrophobicContact CE1-CD1 4.03Å; F704-L780 HydrophobicContact CE2-CD1 4.04Å; F704-L780 HydrophobicContact CZ-CD1 3.58Å; F704-L780 HydrophobicContact CZ-CD2 4.32Å
705V85.1Confident67Low57 Ų5785.5 Ų85.535%0.34547%0.474SS..EExtended strand (participates in β ladder)trans-111.2128-178.7-177.40000109.7G731 R732V705-G731 PolarHBondContact O-N 2.74Å; V705-R732 HydrophobicContact CB-CB 4.07Å; V705-R732 HydrophobicContact CG2-CB 4.04Å; V705-R732 PolarHBondContact N-O 2.87Å
706I86.6Confident64.4Low20 Ų2080.7 Ų80.710%0.10348%0.476CS..EExtended strand (participates in β ladder)trans-97.9126.3178.6-54.1175.5000109.6F704 H728 K729 I751 H764 I767 I771F704-I706 HydrophobicContact CD2-CG1 3.99Å; F704-I706 HydrophobicContact CE2-CD1 3.9Å; F704-I706 HydrophobicContact CE2-CG1 3.81Å; I706-H728 HydrophobicContact CG2-CB 3.71Å; I706-K729 CarbonylContact C-O 3.57Å; I706-K729 WeakPolarHBondContact CA-O 3.36Å; I706-I751 HydrophobicContact CD1-CD1 3.79Å; I706-I751 HydrophobicContact CG1-CD1 3.97Å; I706-H764 PolarHBondContact O-CE1 2.9Å; I706-I767 HydrophobicContact CD1-CG2 3.91Å; I706-I771 HydrophobicContact CD1-CD1 3.41Å; I706-I771 VanDerWaalsContact CD1-CD1 3.41Å
707V79.5Confident61.6Low59 Ų5984.5 Ų84.536%0.35851%0.505SS..EExtended strand (participates in β ladder)trans-94.2127.5168.61760000108.1S709 K729V707-S709 PolarHBondContact O-N 2.81Å; V707-K729 HydrophobicContact CB-CB 4.49Å; V707-K729 PolarHBondContact N-O 2.83Å; V707-K729 PolarHBondContact O-N 3.01Å
708S63.1Low59.4Low42 Ų4289.3 Ų89.329%0.29453%0.528SS..  trans-80.1114.8178.7-1650000110.4V710 H728S708-V710 PolarHBondContact O-N 3.25Å; S708-V710 VanDerWaalsContact OG-CG2 3.28Å; S708-V710 WeakPolarHBondContact OG-CG2 2.87Å; S708-H728 PolarHBondContact OG-NE2 3.15Å
709S54.5Low57.1Low31 Ų3191.6 Ų91.622%0.21754%0.536CS..  trans-77.354.4-177.5-50.90000111.9V707 S711 M726 P727 H728V707-S709 PolarHBondContact O-N 2.81Å; S709-S711 PolarHBondContact O-N 3.12Å; S709-M726 WeakPolarHBondContact CB-O 3.35Å; S709-P727 WeakPolarHBondContact CB-O 3.23Å; S709-P727 PolarHBondContact OG-O 3.39Å; S709-H728 WeakPolarHBondContact OG-CA 3.22Å
710V43.6Very low55.2Low128 Ų12888.1 Ų88.178%0.77654%0.535SS*.  trans-78.971.8-177.7-165.60000110.9S708S708-V710 PolarHBondContact O-N 3.25Å; S708-V710 VanDerWaalsContact OG-CG2 3.28Å; S708-V710 WeakPolarHBondContact OG-CG2 2.87Å
711S33Very low52.6Low74 Ų7493.2 Ų93.252%0.51756%0.564SS.*  trans-113.590.4166.959.90000109.1S709S709-S711 PolarHBondContact O-N 3.12Å
712R30.5Very low50.1Low235 Ų23595.1 Ų95.189%0.88758%0.575SS**PPolyproline II helixtrans-90.2126.7159-82.4-167.8173.6-162.6-0.1108
713P33Very low47.5Very low119 Ų119100.9 Ų100.977%0.77362%0.616SS**PPolyproline II helixtrans-73.3155.3168.332.6-34.3000110.3
714E29.5Very low45.3Very low196 Ų196105.5 Ų105.592%0.91664%0.641SS**PPolyproline II helixtrans-68.6142160.2-69-176.9112.800109.5G716E714-G716 PolarHBondContact O-N 3.22Å; E714-G716 VanDerWaalsContact O-N 3.12Å
715A32.3Very low43.4Very low115 Ų115106.2 Ų106.295%0.9565%0.652SS**SBendtrans-84.290.3-172.300000111.2
716G32.5Very low41.9Very low65 Ų65107.5 Ų107.567%0.6766%0.655SS**  trans-135.426.8-177.200000114.9E714E714-G716 PolarHBondContact O-N 3.22Å; E714-G716 VanDerWaalsContact O-N 3.12Å
717T30.2Very low40.7Very low136 Ų136107 Ų10783%0.83465%0.653SS**  trans-161.8119.8174.2-3.90000111.8
718T32.6Very low40.6Very low137 Ų137104.8 Ų104.884%0.8464%0.639SS**  trans-101.697.7174.2480000111.2
719F27.8Very low41.6Very low200 Ų200104.1 Ų104.188%0.87763%0.63SS**  trans-133.9140.5155.8-88-78.7000109.8N721F719-N721 PolarHBondContact O-N 2.68Å; F719-N721 VanDerWaalsContact O-N 3.14Å
720G32.9Very low43.1Very low76 Ų76102.6 Ų102.678%0.78462%0.62SS**SBendtrans-73.8104.8-162.800000114.3
721N29Very low44.9Very low161 Ų16198 Ų9886%0.86160%0.599SS**SBendtrans-156.1153.9145.7-99.7-42.9000109.7F719 C723F719-N721 PolarHBondContact O-N 2.68Å; F719-N721 VanDerWaalsContact O-N 3.14Å; N721-C723 PolarHBondContact O-N 2.96Å
722A32Very low47.3Very low89 Ų8998.6 Ų98.674%0.73659%0.589SS**  trans-62.2128.2-172.200000112.1V724A722-V724 VanDerWaalsContact C-N 3.29Å; A722-V724 PolarHBondContact O-N 3.32Å
723C33.9Very low50Low135 Ų13588.8 Ų88.891%0.91255%0.554SS**  trans-73.278.2178410000111.7N721 A725N721-C723 PolarHBondContact O-N 2.96Å; C723-A725 PolarHBondContact O-N 2.94Å
724V40.3Very low52.6Low113 Ų11386.8 Ų86.869%0.68554%0.536SS*.  trans-64.7115.9176.1179.40000110A722 M726A722-V724 VanDerWaalsContact C-N 3.29Å; A722-V724 PolarHBondContact O-N 3.32Å; V724-M726 PolarHBondContact O-N 2.87Å
725A49.2Very low55Low43 Ų4386 Ų8636%0.35553%0.533SS..PPolyproline II helixtrans-58.8122.8169.400000110C723 P727 T760C723-A725 PolarHBondContact O-N 2.94Å; A725-P727 WeakPolarHBondContact O-CD 3.49Å; A725-T760 WeakPolarHBondContact CB-O 3.41Å
726M54.9Low57.2Low84 Ų8482.8 Ų82.841%0.41451%0.511SS..PPolyproline II helixtrans-58.3118.9-174.4-83.6-81.9-88.900111.2S709 V724 R750S709-M726 WeakPolarHBondContact CB-O 3.35Å; V724-M726 PolarHBondContact O-N 2.87Å; M726-R750 PolarHBondContact SD-NH1 2.92Å
727P61.3Low59.8Low8 Ų880.3 Ų80.35%0.05248%0.483CS..PPolyproline II helixtrans-63.5151.5179.917.4-25000112.3S709 A725 R750 I751 L752S709-P727 WeakPolarHBondContact CB-O 3.23Å; S709-P727 PolarHBondContact OG-O 3.39Å; A725-P727 WeakPolarHBondContact O-CD 3.49Å; P727-R750 HydrophobicContact CB-CB 4.05Å; P727-R750 HydrophobicContact CG-CB 3.88Å; P727-I751 WeakPolarHBondContact CB-O 3.42Å; P727-L752 HydrophobicContact CB-CD2 4.2Å; P727-L752 HydrophobicContact CG-CD2 4.17Å
728H76.8Confident62.6Low14 Ų1474 Ų747%0.06545%0.445CS..EExtended strand (participates in β ladder)trans-69.2134.5-174-77.759000111.4I706 S708 S709 R750 I751 I759 I767I706-H728 HydrophobicContact CG2-CB 3.71Å; S708-H728 PolarHBondContact OG-NE2 3.15Å; S709-H728 WeakPolarHBondContact OG-CA 3.22Å; H728-R750 CarbonylContact O-C 3.58Å; H728-R750 WeakPolarHBondContact O-CA 3.42Å; H728-I751 PolarHBondContact O-N 3Å; H728-I759 HydrophobicContact CB-CD1 4Å; H728-I767 WeakPolarHBondContact CE1-CD1 3.39Å; H728-I767 WeakPolarHBondContact NE2-CD1 3.41Å
729K84.3Confident65.4Low27 Ų2767.5 Ų67.512%0.11741%0.405CS..EExtended strand (participates in β ladder)trans-92.6143.4-172-167.4-176.5178.5-175.90112.5I706 V707 G731 G748 D749 S789 N790I706-K729 CarbonylContact C-O 3.57Å; I706-K729 WeakPolarHBondContact CA-O 3.36Å; V707-K729 HydrophobicContact CB-CB 4.49Å; V707-K729 PolarHBondContact N-O 2.83Å; V707-K729 PolarHBondContact O-N 3.01Å; K729-G731 PolarHBondContact O-N 2.87Å; K729-G748 WeakPolarHBondContact CE-O 3.39Å; K729-G748 WeakPolarHBondContact CG-O 3.35Å; K729-D749 CarbonylContact C-O 3.48Å; K729-D749 VanDerWaalsContact CA-O 3.31Å; K729-D749 WeakPolarHBondContact CA-O 3.23Å; K729-S789 PolarHBondContact NZ-O 2.83Å; K729-N790 PolarHBondContact NZ-OD1 2.92Å
730I85.6Confident68.2Low0 Ų061.4 Ų61.40%038%0.382CS..EExtended strand (participates in β ladder)trans-74.1110.7163.5-55-61.1000108.7F704 I733 L745 K746 G748 D749 I751F704-I730 HydrophobicContact CD2-CD1 3.58Å; F704-I730 HydrophobicContact CE2-CD1 4.03Å; F704-I730 HydrophobicContact CG-CD1 4.42Å; I730-I733 HydrophobicContact CG2-CD1 4.26Å; I730-I733 HydrophobicContact CG2-CG1 3.84Å; I730-L745 HydrophobicContact CD1-CD1 4.24Å; I730-L745 HydrophobicContact CD1-CD2 3.98Å; I730-L745 HydrophobicContact CD1-CG 4.42Å; I730-L745 HydrophobicContact CG1-CD1 4Å; I730-L745 HydrophobicContact CG1-CD2 4.24Å; I730-L745 HydrophobicContact CG1-CG 4.18Å; I730-L745 HydrophobicContact CG2-CD2 4.46Å; I730-K746 WeakPolarHBondContact CB-O 3.44Å; I730-K746 WeakPolarHBondContact CG2-O 3.46Å; I730-G748 PolarHBondContact O-N 3.39Å; I730-D749 HydrophobicContact CB-CB 4.41Å; I730-D749 HydrophobicContact CG1-CB 3.96Å; I730-D749 PolarHBondContact N-O 3.24Å; I730-I751 HydrophobicContact CD1-CD1 3.73Å; I730-I751 HydrophobicContact CD1-CG1 3.86Å; I730-I751 HydrophobicContact CG1-CG1 4.48Å
731G80.8Confident70.8Confident32 Ų3264.4 Ų64.433%0.3337%0.369SS..EExtended strand (participates in β ladder)trans-94.3-22.5-178.400000115V705 K729 V747V705-G731 PolarHBondContact O-N 2.74Å; K729-G731 PolarHBondContact O-N 2.87Å; G731-V747 WeakPolarHBondContact O-CG1 3.39Å
732R84.1Confident73.5Confident85 Ų8558.3 Ų58.332%0.32134%0.339SS..EExtended strand (participates in β ladder)trans-158.5146.7175-179176.8-79-167-7.9109.6F704 V705 A797F704-R732 CarbonylContact C-O 3.5Å; F704-R732 WeakPolarHBondContact CA-O 3.36Å; V705-R732 HydrophobicContact CB-CB 4.07Å; V705-R732 HydrophobicContact CG2-CB 4.04Å; V705-R732 PolarHBondContact N-O 2.87Å; R732-A797 PolarHBondContact NH1-O 2.82Å; R732-A797 VanDerWaalsContact NH1-O 3.13Å
733I86.8Confident75.9Confident29 Ų2957.3 Ų57.315%0.14934%0.337CS..EExtended strand (participates in β ladder)trans-115.9144.1163.7-62.9174.1000106.5F704 I730 A739 D740 L745 V747F704-I733 HydrophobicContact CB-CG1 4.29Å; I730-I733 HydrophobicContact CG2-CD1 4.26Å; I730-I733 HydrophobicContact CG2-CG1 3.84Å; I733-A739 HydrophobicContact CG2-CB 4.11Å; I733-D740 HydrophobicContact CG2-CB 3.86Å; I733-L745 HydrophobicContact CD1-CB 4.02Å; I733-L745 HydrophobicContact CD1-CD2 4.1Å; I733-L745 HydrophobicContact CD1-CG 3.98Å; I733-L745 WeakPolarHBondContact CD1-O 3.48Å; I733-L745 HydrophobicContact CG1-CD2 4.43Å; I733-V747 HydrophobicContact CB-CG2 4.24Å; I733-V747 HydrophobicContact CD1-CG2 4.39Å; I733-V747 HydrophobicContact CG1-CG2 4.02Å
734I87.1Confident78.3Confident77 Ų7756.7 Ų56.740%0.39532%0.319SS..  trans-96.3123.5-178.7-59.6174.6000108.5G703 S737 D740G703-I734 WeakPolarHBondContact O-CB 3.48Å; G703-I734 WeakPolarHBondContact O-CG1 3.39Å; G703-I734 PolarHBondContact O-N 3.06Å; I734-S737 WeakPolarHBondContact O-CB 3.44Å; I734-S737 PolarHBondContact O-N 3.11Å; I734-S737 VanDerWaalsContact O-N 3.17Å; I734-S737 PolarHBondContact O-OG 2.84Å; I734-D740 VanDerWaalsContact O-CB 3.31Å; I734-D740 WeakPolarHBondContact O-CB 3.43Å
735E80.1Confident80.6Confident179 Ų17951.8 Ų51.884%0.83629%0.289SS*.THydrogen-bonded Turntrans-55.9138.7179.3-61.7178.1163.200111.7S737E735-S737 PolarHBondContact O-N 2.77Å
736G78.2Confident82.3Confident48 Ų4856.4 Ų56.450%0.49530%0.301SS..THydrogen-bonded Turntrans73.4-6-177.100000115.9D740 R741G736-D740 PolarHBondContact N-OD2 3.43Å; G736-R741 WeakPolarHBondContact O-CD 3.42Å; G736-R741 PolarHBondContact O-NH1 3.01Å
737S88.6Confident83.7Confident13 Ų1355.8 Ų55.89%0.09130%0.302CS..SBendtrans-79.2168.4-179.279.60000113.4G703 I734 E735 A739 D740 R741G703-S737 WeakPolarHBondContact CA-OG 3.39Å; G703-S737 PolarHBondContact O-OG 2.8Å; I734-S737 WeakPolarHBondContact O-CB 3.44Å; I734-S737 PolarHBondContact O-N 3.11Å; I734-S737 VanDerWaalsContact O-N 3.17Å; I734-S737 PolarHBondContact O-OG 2.84Å; E735-S737 PolarHBondContact O-N 2.77Å; S737-A739 VanDerWaalsContact C-N 3.28Å; S737-A739 PolarHBondContact O-N 2.78Å; S737-D740 PolarHBondContact O-N 2.85Å; S737-R741 WeakPolarHBondContact O-CB 3.25Å; S737-R741 VanDerWaalsContact O-CG 3.27Å; S737-R741 WeakPolarHBondContact O-CG 3.36Å; S737-R741 PolarHBondContact O-N 3.19Å
738P88.9Confident84.6Confident4 Ų455.6 Ų55.63%0.02630%0.301CS..Hα-helixtrans-51-40.9178.1-29.836.8000115.1I694 R695 R696 E700 G701 C742I694-P738 HydrophobicContact CG2-CB 3.62Å; R695-P738 WeakPolarHBondContact O-CB 3.21Å; R696-P738 HydrophobicContact CB-CB 4.29Å; R696-P738 HydrophobicContact CB-CG 3.73Å; E700-P738 VanDerWaalsContact CD-CG 3.45Å; E700-P738 HydrophobicContact CG-CG 3.86Å; E700-P738 WeakPolarHBondContact OE2-CD 3.31Å; E700-P738 WeakPolarHBondContact OE2-CG 3.5Å; G701-P738 WeakPolarHBondContact O-CD 3.48Å; G701-P738 WeakPolarHBondContact O-CG 3.23Å; P738-C742 WeakPolarHBondContact O-CB 3.48Å; P738-C742 PolarHBondContact O-N 2.72Å
739A90.3Very high85.1Confident0 Ų055.2 Ų55.20%030%0.3CS..Hα-helixtrans-72.5-30.7179.300000113.6I694 F702 F704 I733 S737 C742 L745I694-A739 HydrophobicContact CD1-CB 4.08Å; I694-A739 HydrophobicContact CG2-CB 4.44Å; F702-A739 WeakPolarHBondContact O-CB 3.5Å; F702-A739 PolarHBondContact O-N 2.94Å; F704-A739 HydrophobicContact CB-CB 4.03Å; F704-A739 HydrophobicContact CD1-CB 3.86Å; F704-A739 HydrophobicContact CG-CB 4.39Å; I733-A739 HydrophobicContact CG2-CB 4.11Å; S737-A739 VanDerWaalsContact C-N 3.28Å; S737-A739 PolarHBondContact O-N 2.78Å; A739-C742 PolarHBondContact O-SG 2.87Å; A739-L745 HydrophobicContact CB-CD2 4.17Å
740D87.8Confident85.3Confident73 Ų7356.8 Ų56.839%0.3931%0.305SS..Hα-helixtrans-72.5-49.9172.1-176.456.1000110.4I733 I734 G736 S737 C742 G743I733-D740 HydrophobicContact CG2-CB 3.86Å; I734-D740 VanDerWaalsContact O-CB 3.31Å; I734-D740 WeakPolarHBondContact O-CB 3.43Å; G736-D740 PolarHBondContact N-OD2 3.43Å; S737-D740 PolarHBondContact O-N 2.85Å; D740-C742 PolarHBondContact O-N 3.24Å; D740-C742 VanDerWaalsContact O-N 3.07Å; D740-G743 PolarHBondContact O-N 3.13Å
741R87.3Confident85.5Confident138 Ų13856.8 Ų56.852%0.52131%0.305SS..Hα-helixtrans-60.2-19.5176.5-63.1-174.9-43.1-117.314.6113.8E700 G736 S737 G743E700-R741 VanDerWaalsContact CD-NH2 3.31Å; E700-R741 IonicContact OE1-CZ 3.39Å; E700-R741 IonicContact OE1-NH1 3.87Å; E700-R741 IonicContact OE1-NH2 3.07Å; E700-R741 PolarHBondContact OE1-NH2 3.24Å; E700-R741 IonicContact OE2-CZ 2.67Å; E700-R741 IonicContact OE2-NH1 3.21Å; E700-R741 PolarHBondContact OE2-NH1 3.39Å; E700-R741 IonicContact OE2-NH2 3.82Å; E700-R741 PolarHBondContact OE2-NH2 3.41Å; G736-R741 WeakPolarHBondContact O-CD 3.42Å; G736-R741 PolarHBondContact O-NH1 3.01Å; S737-R741 WeakPolarHBondContact O-CB 3.25Å; S737-R741 VanDerWaalsContact O-CG 3.27Å; S737-R741 WeakPolarHBondContact O-CG 3.36Å; S737-R741 PolarHBondContact O-N 3.19Å; R741-G743 VanDerWaalsContact C-N 3.34Å
742C84.6Confident85.8Confident33 Ų3357.1 Ų57.122%0.22330%0.299CS..THydrogen-bonded Turntrans-76.8-19.9174.291.20000113.3P738 A739 D740 K744P738-C742 WeakPolarHBondContact O-CB 3.48Å; P738-C742 PolarHBondContact O-N 2.72Å; A739-C742 PolarHBondContact O-SG 2.87Å; D740-C742 PolarHBondContact O-N 3.24Å; D740-C742 VanDerWaalsContact O-N 3.07Å; C742-K744 PolarHBondContact O-N 2.88Å
743G82.6Confident85.9Confident68 Ų6853.4 Ų53.470%0.70129%0.287SS*.SBendtrans62.8-4.5177.200000116.8D740 R741D740-G743 PolarHBondContact O-N 3.13Å; R741-G743 VanDerWaalsContact C-N 3.34Å
744K84.1Confident86.1Confident122 Ų12252.1 Ų52.153%0.5328%0.28SS..  trans-96.9-38.1-172.8-73175-179.5-1790113.4Y690 V692 C742Y690-K744 HydrophobicContact CE2-CB 4.45Å; Y690-K744 PolarHBondContact OH-O 2.89Å; V692-K744 HydrophobicContact CG1-CB 3.87Å; V692-K744 HydrophobicContact CG1-CD 4.45Å; V692-K744 HydrophobicContact CG2-CB 4.03Å; C742-K744 PolarHBondContact O-N 2.88Å
745L89Confident86.2Confident10 Ų1052 Ų525%0.05228%0.28CS..  trans-80.4141.5-177.6-165.971.6000110.8I694 F704 I730 I733 A739 L780 I782I694-L745 HydrophobicContact CD1-CD2 4.12Å; F704-L745 HydrophobicContact CB-CD2 4.02Å; F704-L745 HydrophobicContact CD1-CD2 4.26Å; F704-L745 HydrophobicContact CD2-CD2 4.38Å; F704-L745 HydrophobicContact CG-CD2 3.99Å; I730-L745 HydrophobicContact CD1-CD1 4.24Å; I730-L745 HydrophobicContact CD1-CD2 3.98Å; I730-L745 HydrophobicContact CD1-CG 4.42Å; I730-L745 HydrophobicContact CG1-CD1 4Å; I730-L745 HydrophobicContact CG1-CD2 4.24Å; I730-L745 HydrophobicContact CG1-CG 4.18Å; I730-L745 HydrophobicContact CG2-CD2 4.46Å; I733-L745 HydrophobicContact CD1-CB 4.02Å; I733-L745 HydrophobicContact CD1-CD2 4.1Å; I733-L745 HydrophobicContact CD1-CG 3.98Å; I733-L745 WeakPolarHBondContact CD1-O 3.48Å; I733-L745 HydrophobicContact CG1-CD2 4.43Å; A739-L745 HydrophobicContact CB-CD2 4.17Å; L745-L780 HydrophobicContact CD1-CD1 4.39Å; L745-L780 HydrophobicContact CD2-CD1 4.44Å; L745-I782 HydrophobicContact CD1-CD1 3.58Å; L745-I782 HydrophobicContact CD1-CG1 3.81Å
746K85.8Confident86.3Confident140 Ų14046.8 Ų46.861%0.60928%0.275SS*.  trans-124.5152.2177-63.8-174.7178.7-175.90113.5I730 G748 D749I730-K746 WeakPolarHBondContact CB-O 3.44Å; I730-K746 WeakPolarHBondContact CG2-O 3.46Å; K746-G748 PolarHBondContact O-N 2.89Å; K746-D749 PolarHBondContact N-OD2 2.81Å; K746-D749 WeakPolarHBondContact O-CB 3.45Å; K746-D749 PolarHBondContact O-N 3.25Å
747V84.7Confident86.5Confident72 Ų7247.5 Ų47.544%0.43627%0.271SS..THydrogen-bonded Turntrans-68.1117.6164.5-178.70000108G731 I733G731-V747 WeakPolarHBondContact O-CG1 3.39Å; I733-V747 HydrophobicContact CB-CG2 4.24Å; I733-V747 HydrophobicContact CD1-CG2 4.39Å; I733-V747 HydrophobicContact CG1-CG2 4.02Å
748G79.1Confident86.3Confident4 Ų450 Ų504%0.04129%0.288CS..THydrogen-bonded Turntrans131.4-42.7-164.500000112.6K729 I730 K746 G785K729-G748 WeakPolarHBondContact CE-O 3.39Å; K729-G748 WeakPolarHBondContact CG-O 3.35Å; I730-G748 PolarHBondContact O-N 3.39Å; K746-G748 PolarHBondContact O-N 2.89Å; G748-G785 WeakPolarHBondContact O-CA 3.41Å
749D87.8Confident86Confident5 Ų549.8 Ų49.83%0.02729%0.287CS..  trans-63.8152.6-167.6-76.4-6.4000114.3Y690 K729 I730 K746 I782 P784 G785Y690-D749 PolarHBondContact OH-OD2 3.21Å; K729-D749 CarbonylContact C-O 3.48Å; K729-D749 VanDerWaalsContact CA-O 3.31Å; K729-D749 WeakPolarHBondContact CA-O 3.23Å; I730-D749 HydrophobicContact CB-CB 4.41Å; I730-D749 HydrophobicContact CG1-CB 3.96Å; I730-D749 PolarHBondContact N-O 3.24Å; K746-D749 PolarHBondContact N-OD2 2.81Å; K746-D749 WeakPolarHBondContact O-CB 3.45Å; K746-D749 PolarHBondContact O-N 3.25Å; D749-I782 HydrophobicContact CB-CG2 3.55Å; D749-P784 WeakPolarHBondContact OD1-CA 3.48Å; D749-G785 PolarHBondContact OD1-N 3.31Å; D749-G785 VanDerWaalsContact OD1-N 3.17Å
750R87.7Confident85.4Confident61 Ų6152.2 Ų52.223%0.2330%0.302CS..EExtended strand (participates in β ladder)trans-114.9124.4178.6-51.4-174.1-168.8174.76.1111.2M726 P727 H728 I782 I783M726-R750 PolarHBondContact SD-NH1 2.92Å; P727-R750 HydrophobicContact CB-CB 4.05Å; P727-R750 HydrophobicContact CG-CB 3.88Å; H728-R750 CarbonylContact O-C 3.58Å; H728-R750 WeakPolarHBondContact O-CA 3.42Å; R750-I782 CarbonylContact O-C 3.45Å; R750-I782 WeakPolarHBondContact O-CA 3.36Å; R750-I783 PolarHBondContact N-O 3.01Å; R750-I783 PolarHBondContact O-N 2.82Å
751I90.2Very high84.4Confident0 Ų055.9 Ų55.90%032%0.322CS..EExtended strand (participates in β ladder)trans-79.7123.8178.1-50.1170.9000109.5F704 I706 P727 H728 I730 A753 V754 I759 I782F704-I751 HydrophobicContact CE2-CD1 4.15Å; I706-I751 HydrophobicContact CD1-CD1 3.79Å; I706-I751 HydrophobicContact CG1-CD1 3.97Å; P727-I751 WeakPolarHBondContact CB-O 3.42Å; H728-I751 PolarHBondContact O-N 3Å; I730-I751 HydrophobicContact CD1-CD1 3.73Å; I730-I751 HydrophobicContact CD1-CG1 3.86Å; I730-I751 HydrophobicContact CG1-CG1 4.48Å; I751-A753 WeakPolarHBondContact CG2-O 3.46Å; I751-V754 HydrophobicContact CG2-CG2 4.18Å; I751-I759 HydrophobicContact CB-CD1 3.77Å; I751-I759 HydrophobicContact CG2-CD1 3.68Å; I751-I759 HydrophobicContact CG2-CG1 4.29Å; I751-I759 WeakPolarHBondContact O-CD1 3.48Å; I751-I782 HydrophobicContact CB-CD1 4.35Å; I751-I782 HydrophobicContact CG1-CD1 3.88Å
752L86.9Confident83.8Confident38 Ų3853.2 Ų53.220%0.19931%0.314CS..EExtended strand (participates in β ladder)trans-92.3-39.2170.2-75.5177.8000112.9P689 P727 S758 I759 R781 I783P689-L752 HydrophobicContact CB-CD1 3.93Å; P689-L752 HydrophobicContact CG-CD1 3.84Å; P727-L752 HydrophobicContact CB-CD2 4.2Å; P727-L752 HydrophobicContact CG-CD2 4.17Å; L752-S758 WeakPolarHBondContact O-CA 3.34Å; L752-I759 WeakPolarHBondContact O-CG1 3.47Å; L752-I759 PolarHBondContact O-N 3.48Å; L752-R781 HydrophobicContact CB-CB 4.31Å; L752-R781 HydrophobicContact CB-CG 4.23Å; L752-R781 HydrophobicContact CD1-CG 4.3Å; L752-R781 PolarHBondContact N-O 3.11Å; L752-I783 HydrophobicContact CD1-CD1 3.83Å; L752-I783 HydrophobicContact CD1-CG1 3.64Å; L752-I783 HydrophobicContact CD2-CD1 3.85Å; L752-I783 HydrophobicContact CD2-CG1 4.41Å; L752-I783 HydrophobicContact CG-CD1 3.87Å; L752-I783 HydrophobicContact CG-CG1 3.86Å
753A87.4Confident83.4Confident8 Ų854.4 Ų54.47%0.06632%0.323CS..EExtended strand (participates in β ladder)trans-149.2155.6-175.600000112.4I751 C757 L780 R781I751-A753 WeakPolarHBondContact CG2-O 3.46Å; A753-C757 CarbonylContact C-O 3.6Å; A753-C757 WeakPolarHBondContact CA-O 3.44Å; A753-C757 WeakPolarHBondContact CB-O 3.43Å; A753-L780 WeakPolarHBondContact O-CA 3.34Å; A753-R781 HydrophobicContact CB-CB 3.9Å; A753-R781 PolarHBondContact N-O 2.76Å; A753-R781 PolarHBondContact O-N 2.97Å
754V90.8Very high83.2Confident1 Ų154.8 Ų54.81%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-125.3123.8174.2179.30000107.7I751 G756 C757 I759 L770 I771 V778 T779 L780I751-V754 HydrophobicContact CG2-CG2 4.18Å; V754-G756 PolarHBondContact O-N 3.18Å; V754-G756 VanDerWaalsContact O-N 3.17Å; V754-C757 PolarHBondContact N-O 3.48Å; V754-C757 WeakPolarHBondContact O-CB 3.43Å; V754-C757 PolarHBondContact O-N 3Å; V754-I759 HydrophobicContact CB-CG2 4.41Å; V754-I759 HydrophobicContact CG2-CG2 3.88Å; V754-L770 HydrophobicContact CB-CB 4.32Å; V754-L770 HydrophobicContact CG1-CB 4.04Å; V754-I771 HydrophobicContact CB-CG1 4.47Å; V754-I771 HydrophobicContact CG1-CG1 3.68Å; V754-I771 HydrophobicContact CG2-CD1 4.15Å; V754-I771 HydrophobicContact CG2-CG1 3.92Å; V754-V778 HydrophobicContact CG1-CG2 3.62Å; V754-T779 CarbonylContact C-O 3.57Å; V754-L780 HydrophobicContact CB-CD2 4.46Å; V754-L780 HydrophobicContact CG1-CD2 4.31Å; V754-L780 HydrophobicContact CG2-CD2 3.9Å
755N88.9Confident82.9Confident75 Ų7551.9 Ų51.940%0.40130%0.301SS..THydrogen-bonded Turntrans48.338.7-174.2-68.9-0.2000113.3C757 A774 V778 T779N755-C757 PolarHBondContact O-N 3.03Å; N755-A774 VanDerWaalsContact ND2-CB 3.3Å; N755-A774 WeakPolarHBondContact ND2-CB 3.29Å; N755-V778 WeakPolarHBondContact OD1-CA 3.14Å; N755-T779 PolarHBondContact N-O 2.81Å; N755-T779 PolarHBondContact OD1-N 2.66Å
756G81.3Confident82.5Confident70 Ų7054.8 Ų54.872%0.72232%0.317SS*.THydrogen-bonded Turntrans80.4-15.9-175.800000115.2V754 S758V754-G756 PolarHBondContact O-N 3.18Å; V754-G756 VanDerWaalsContact O-N 3.17Å; G756-S758 PolarHBondContact O-N 3.14Å
757C83.8Confident82.4Confident62 Ų6248.1 Ų48.142%0.41929%0.288SS..EExtended strand (participates in β ladder)trans-75.5115.5174.6-61.20000111.1A753 V754 N755 L770A753-C757 CarbonylContact C-O 3.6Å; A753-C757 WeakPolarHBondContact CA-O 3.44Å; A753-C757 WeakPolarHBondContact CB-O 3.43Å; V754-C757 PolarHBondContact N-O 3.48Å; V754-C757 WeakPolarHBondContact O-CB 3.43Å; V754-C757 PolarHBondContact O-N 3Å; N755-C757 PolarHBondContact O-N 3.03Å; C757-L770 HydrophobicContact CB-CD1 4.41Å
758S84.6Confident82.4Confident65 Ų6546.7 Ų46.746%0.45528%0.279SS..EExtended strand (participates in β ladder)trans-57.4140.7173.3-179.10000111.9L752 G756 T760 K762L752-S758 WeakPolarHBondContact O-CA 3.34Å; G756-S758 PolarHBondContact O-N 3.14Å; S758-T760 PolarHBondContact OG-OG1 3.48Å; S758-K762 WeakPolarHBondContact O-CE 3.37Å
759I82.4Confident82.6Confident0 Ų049.8 Ų49.80%030%0.295CS..  trans-110.12.1-179.469157.2000114.8H728 I751 L752 V754 N761 K762 I767 L770H728-I759 HydrophobicContact CB-CD1 4Å; I751-I759 HydrophobicContact CB-CD1 3.77Å; I751-I759 HydrophobicContact CG2-CD1 3.68Å; I751-I759 HydrophobicContact CG2-CG1 4.29Å; I751-I759 WeakPolarHBondContact O-CD1 3.48Å; L752-I759 WeakPolarHBondContact O-CG1 3.47Å; L752-I759 PolarHBondContact O-N 3.48Å; V754-I759 HydrophobicContact CB-CG2 4.41Å; V754-I759 HydrophobicContact CG2-CG2 3.88Å; I759-N761 PolarHBondContact O-N 3.1Å; I759-N761 VanDerWaalsContact O-N 3.13Å; I759-K762 HydrophobicContact CG2-CD 4.32Å; I759-K762 PolarHBondContact O-N 3.37Å; I759-K762 VanDerWaalsContact O-N 3.07Å; I759-I767 HydrophobicContact CB-CD1 4.03Å; I759-I767 HydrophobicContact CB-CG1 3.85Å; I759-I767 HydrophobicContact CD1-CD1 3.88Å; I759-I767 HydrophobicContact CD1-CG1 4.17Å; I759-I767 HydrophobicContact CD1-CG2 4.06Å; I759-I767 HydrophobicContact CG1-CD1 4.48Å; I759-I767 HydrophobicContact CG2-CG1 3.97Å; I759-I767 HydrophobicContact CG2-CG2 4.5Å; I759-L770 HydrophobicContact CG2-CD1 4.4Å
760T76.2Confident82.6Confident52 Ų5251.1 Ų51.132%0.31930%0.301SS..THydrogen-bonded Turntrans-56.8-32.9-17251.70000114.6A725 S758A725-T760 WeakPolarHBondContact CB-O 3.41Å; S758-T760 PolarHBondContact OG-OG1 3.48Å
761N67.8Low82.6Confident150 Ų15049 Ų4980%0.80230%0.295SS*.THydrogen-bonded Turntrans-115.122.1178.3-69.4-20.4000113.2I759I759-N761 PolarHBondContact O-N 3.1Å; I759-N761 VanDerWaalsContact O-N 3.13Å
762K73.6Confident82.2Confident81 Ų8155.6 Ų55.635%0.35232%0.323SS..  trans-99.6146.4178.8-70.4-173.3-178.5-73.80111.1S758 I759 D766 I767 L770S758-K762 WeakPolarHBondContact O-CE 3.37Å; I759-K762 HydrophobicContact CG2-CD 4.32Å; I759-K762 PolarHBondContact O-N 3.37Å; I759-K762 VanDerWaalsContact O-N 3.07Å; K762-D766 HydrophobicContact CB-CB 4.18Å; K762-I767 HydrophobicContact CB-CD1 4.21Å; K762-I767 HydrophobicContact CB-CG1 3.85Å; K762-L770 HydrophobicContact CD-CD1 3.52Å
763S77.8Confident82.1Confident58 Ų5860.4 Ų60.441%0.40635%0.345SS..  trans-70.5157.4174.180.80000110.5S765 D766 I767S763-S765 PolarHBondContact O-N 3.38Å; S763-S765 VanDerWaalsContact O-N 3.12Å; S763-S765 PolarHBondContact OG-N 3.06Å; S763-D766 WeakPolarHBondContact CB-OD2 3.49Å; S763-D766 PolarHBondContact N-OD2 3.35Å; S763-D766 PolarHBondContact O-N 3.24Å; S763-D766 PolarHBondContact OG-N 3.14Å; S763-D766 PolarHBondContact OG-OD2 3.13Å; S763-I767 WeakPolarHBondContact O-CD1 3.42Å; S763-I767 WeakPolarHBondContact O-CG1 3.3Å; S763-I767 PolarHBondContact O-N 2.95Å
764H77.3Confident81.8Confident76 Ų7660.8 Ų60.835%0.35235%0.348SS..Hα-helixtrans-53.6-33.2173.6-178.578.3000112.5I706 V768I706-H764 PolarHBondContact O-CE1 2.9Å; H764-V768 WeakPolarHBondContact O-CG2 3.3Å; H764-V768 PolarHBondContact O-N 3.49Å; H764-V768 VanDerWaalsContact O-N 3.1Å
765S77.3Confident81.6Confident61 Ų6162.1 Ų62.143%0.42736%0.362SS..Hα-helixtrans-68.3-42.5176.3-62.40000112.1S763 I767 V768 N769S763-S765 PolarHBondContact O-N 3.38Å; S763-S765 VanDerWaalsContact O-N 3.12Å; S763-S765 PolarHBondContact OG-N 3.06Å; S765-I767 VanDerWaalsContact C-N 3.31Å; S765-I767 PolarHBondContact O-N 2.93Å; S765-V768 PolarHBondContact O-N 3.24Å; S765-N769 WeakPolarHBondContact O-CB 3.49Å; S765-N769 PolarHBondContact O-N 2.98Å; S765-N769 PolarHBondContact O-ND2 3.03Å
766D82.1Confident81.6Confident72 Ų7261.6 Ų61.639%0.38536%0.359SS..Hα-helixtrans-66.4-35.1178.6-53.4-52.3000111.8K762 S763 N769 L770K762-D766 HydrophobicContact CB-CB 4.18Å; S763-D766 WeakPolarHBondContact CB-OD2 3.49Å; S763-D766 PolarHBondContact N-OD2 3.35Å; S763-D766 PolarHBondContact O-N 3.24Å; S763-D766 PolarHBondContact OG-N 3.14Å; S763-D766 PolarHBondContact OG-OD2 3.13Å; D766-N769 PolarHBondContact O-N 3.17Å; D766-L770 WeakPolarHBondContact O-CG 3.5Å; D766-L770 PolarHBondContact O-N 3.29Å
767I83.5Confident81.9Confident0 Ų060.4 Ų60.40%034%0.338CS..Hα-helixtrans-69-44.5178.2-64.2160.5000110.5I706 H728 I759 K762 S763 S765 N769 L770 I771I706-I767 HydrophobicContact CD1-CG2 3.91Å; H728-I767 WeakPolarHBondContact CE1-CD1 3.39Å; H728-I767 WeakPolarHBondContact NE2-CD1 3.41Å; I759-I767 HydrophobicContact CB-CD1 4.03Å; I759-I767 HydrophobicContact CB-CG1 3.85Å; I759-I767 HydrophobicContact CD1-CD1 3.88Å; I759-I767 HydrophobicContact CD1-CG1 4.17Å; I759-I767 HydrophobicContact CD1-CG2 4.06Å; I759-I767 HydrophobicContact CG1-CD1 4.48Å; I759-I767 HydrophobicContact CG2-CG1 3.97Å; I759-I767 HydrophobicContact CG2-CG2 4.5Å; K762-I767 HydrophobicContact CB-CD1 4.21Å; K762-I767 HydrophobicContact CB-CG1 3.85Å; S763-I767 WeakPolarHBondContact O-CD1 3.42Å; S763-I767 WeakPolarHBondContact O-CG1 3.3Å; S763-I767 PolarHBondContact O-N 2.95Å; S765-I767 VanDerWaalsContact C-N 3.31Å; S765-I767 PolarHBondContact O-N 2.93Å; I767-N769 VanDerWaalsContact C-N 3.27Å; I767-N769 PolarHBondContact O-N 3.41Å; I767-L770 PolarHBondContact O-N 3.28Å; I767-I771 HydrophobicContact CG2-CD1 4.17Å; I767-I771 WeakPolarHBondContact O-CG1 3.42Å; I767-I771 PolarHBondContact O-N 3.06Å; I767-I771 VanDerWaalsContact O-N 3.15Å
768V84Confident82.4Confident42 Ų4257.4 Ų57.426%0.25532%0.318SS..Hα-helixtrans-63.2-35.3173.1168.80000111.2H764 S765 K772H764-V768 WeakPolarHBondContact O-CG2 3.3Å; H764-V768 PolarHBondContact O-N 3.49Å; H764-V768 VanDerWaalsContact O-N 3.1Å; S765-V768 PolarHBondContact O-N 3.24Å; V768-K772 HydrophobicContact CG1-CD 4.26Å; V768-K772 WeakPolarHBondContact O-CG 3.21Å; V768-K772 PolarHBondContact O-N 3.1Å; V768-K772 VanDerWaalsContact O-N 3.15Å
769N84.2Confident82.7Confident69 Ų6956.6 Ų56.637%0.36931%0.31SS..Hα-helixtrans-69.7-46.3175.8-70-16.5000112S765 D766 I767 I771 K772 E773S765-N769 WeakPolarHBondContact O-CB 3.49Å; S765-N769 PolarHBondContact O-N 2.98Å; S765-N769 PolarHBondContact O-ND2 3.03Å; D766-N769 PolarHBondContact O-N 3.17Å; I767-N769 VanDerWaalsContact C-N 3.27Å; I767-N769 PolarHBondContact O-N 3.41Å; N769-I771 PolarHBondContact O-N 2.94Å; N769-K772 CarbonylContact O-C 3.44Å; N769-K772 WeakPolarHBondContact O-CA 3.46Å; N769-K772 WeakPolarHBondContact O-CB 3.34Å; N769-K772 PolarHBondContact O-N 2.63Å; N769-E773 WeakPolarHBondContact O-CB 3.44Å; N769-E773 WeakPolarHBondContact O-CG 3.37Å; N769-E773 PolarHBondContact O-N 2.84Å
770L86.4Confident83.2Confident32 Ų3256.6 Ų56.617%0.16831%0.31CS..Hα-helixtrans-55-38.3174.6-77.8170.1000112.6V754 C757 I759 K762 D766 I767 A774V754-L770 HydrophobicContact CB-CB 4.32Å; V754-L770 HydrophobicContact CG1-CB 4.04Å; C757-L770 HydrophobicContact CB-CD1 4.41Å; I759-L770 HydrophobicContact CG2-CD1 4.4Å; K762-L770 HydrophobicContact CD-CD1 3.52Å; D766-L770 WeakPolarHBondContact O-CG 3.5Å; D766-L770 PolarHBondContact O-N 3.29Å; I767-L770 PolarHBondContact O-N 3.28Å; L770-A774 PolarHBondContact O-N 2.87Å; L770-A774 VanDerWaalsContact O-N 3.07Å
771I87.6Confident83.9Confident17 Ų1759.9 Ų59.99%0.08732%0.317CS..Hα-helixtrans-73.4-28.3177.9-66166.3000111.7F702 F704 I706 V754 I767 N769 V778F702-I771 HydrophobicContact CD2-CG2 3.75Å; F702-I771 HydrophobicContact CE2-CG2 4.19Å; F702-I771 VanDerWaalsContact CE2-O 3.3Å; F702-I771 WeakPolarHBondContact CE2-O 3.17Å; F704-I771 HydrophobicContact CE2-CD1 4.13Å; F704-I771 HydrophobicContact CZ-CD1 3.96Å; F704-I771 HydrophobicContact CZ-CG2 4.26Å; I706-I771 HydrophobicContact CD1-CD1 3.41Å; I706-I771 VanDerWaalsContact CD1-CD1 3.41Å; V754-I771 HydrophobicContact CB-CG1 4.47Å; V754-I771 HydrophobicContact CG1-CG1 3.68Å; V754-I771 HydrophobicContact CG2-CD1 4.15Å; V754-I771 HydrophobicContact CG2-CG1 3.92Å; I767-I771 HydrophobicContact CG2-CD1 4.17Å; I767-I771 WeakPolarHBondContact O-CG1 3.42Å; I767-I771 PolarHBondContact O-N 3.06Å; I767-I771 VanDerWaalsContact O-N 3.15Å; N769-I771 PolarHBondContact O-N 2.94Å; I771-V778 HydrophobicContact CG1-CG2 4.41Å
772K83.5Confident85Confident138 Ų13852.7 Ų52.760%0.628%0.278SS*.Hα-helixtrans-76.3-41.6171.6-71168.4179.6177.40112V768 N769 A774 G775V768-K772 HydrophobicContact CG1-CD 4.26Å; V768-K772 WeakPolarHBondContact O-CG 3.21Å; V768-K772 PolarHBondContact O-N 3.1Å; V768-K772 VanDerWaalsContact O-N 3.15Å; N769-K772 CarbonylContact O-C 3.44Å; N769-K772 WeakPolarHBondContact O-CA 3.46Å; N769-K772 WeakPolarHBondContact O-CB 3.34Å; N769-K772 PolarHBondContact O-N 2.63Å; K772-A774 PolarHBondContact O-N 3.21Å; K772-G775 PolarHBondContact O-N 2.6Å; K772-G775 VanDerWaalsContact O-N 3.1Å
773E83.6Confident85.6Confident139 Ų13951.1 Ų51.165%0.6527%0.273SS*.Hα-helixtrans-66.7-22.1178.8-71.6169.9176.900112.3N769 G775N769-E773 WeakPolarHBondContact O-CB 3.44Å; N769-E773 WeakPolarHBondContact O-CG 3.37Å; N769-E773 PolarHBondContact O-N 2.84Å; E773-G775 PolarHBondContact O-N 2.89Å; E773-G775 VanDerWaalsContact O-N 3.08Å
774A82.1Confident85.9Confident17 Ų1750.6 Ų50.614%0.1427%0.269CS..THydrogen-bonded Turntrans-61.2-7.916800000114.7N755 L770 K772 N776 T777 V778N755-A774 VanDerWaalsContact ND2-CB 3.3Å; N755-A774 WeakPolarHBondContact ND2-CB 3.29Å; L770-A774 PolarHBondContact O-N 2.87Å; L770-A774 VanDerWaalsContact O-N 3.07Å; K772-A774 PolarHBondContact O-N 3.21Å; A774-N776 PolarHBondContact O-N 2.79Å; A774-T777 PolarHBondContact O-N 3.34Å; A774-V778 HydrophobicContact CB-CB 3.75Å; A774-V778 HydrophobicContact CB-CG2 3.8Å
775G85Confident85.8Confident29 Ų2948 Ų4830%0.29926%0.262SS..THydrogen-bonded Turntrans63.7-119.9177.500000111.4R696 F702 K772 E773R696-G775 PolarHBondContact NE-O 3.27Å; R696-G775 PolarHBondContact NH2-O 3.22Å; F702-G775 WeakPolarHBondContact CZ-O 3.48Å; K772-G775 PolarHBondContact O-N 2.6Å; K772-G775 VanDerWaalsContact O-N 3.1Å; E773-G775 PolarHBondContact O-N 2.89Å; E773-G775 VanDerWaalsContact O-N 3.08Å
776N88.9Confident84.9Confident64 Ų6449.5 Ų49.534%0.34227%0.266SS..THydrogen-bonded Turntrans-95.8-3.4-175.2-68.5-7.2000114.1R695 R696 E698 A774R695-N776 WeakPolarHBondContact CA-O 3.22Å; R696-N776 PolarHBondContact N-O 3.2Å; E698-N776 WeakPolarHBondContact CG-ND2 3.18Å; A774-N776 PolarHBondContact O-N 2.79Å
777T88.5Confident83.4Confident44 Ų4453.5 Ų53.527%0.2728%0.282SS..EExtended strand (participates in β ladder)trans-147.2123-178.5-62.70000111E693 I694 R695 A774E693-T777 HydrophobicContact CG-CG2 3.58Å; I694-T777 WeakPolarHBondContact O-CA 3.28Å; R695-T777 HydrophobicContact CG-CG2 3.97Å; A774-T777 PolarHBondContact O-N 3.34Å
778V93.6Very high81.5Confident0 Ų058.9 Ų58.90%032%0.319CS..EExtended strand (participates in β ladder)trans-123.6134.3-179.369.50000110.5E693 I694 F702 V754 N755 I771 A774 L780E693-V778 WeakPolarHBondContact CA-O 3.26Å; I694-V778 HydrophobicContact CB-CG1 4.05Å; I694-V778 PolarHBondContact N-O 2.86Å; I694-V778 PolarHBondContact O-N 3.21Å; F702-V778 HydrophobicContact CD1-CG1 3.72Å; F702-V778 HydrophobicContact CD2-CG1 4.05Å; F702-V778 HydrophobicContact CE1-CB 4.14Å; F702-V778 HydrophobicContact CE1-CG1 3.61Å; F702-V778 HydrophobicContact CE2-CB 4.11Å; F702-V778 HydrophobicContact CE2-CG1 3.95Å; F702-V778 HydrophobicContact CG-CG1 3.94Å; F702-V778 HydrophobicContact CZ-CB 3.82Å; F702-V778 HydrophobicContact CZ-CG1 3.73Å; V754-V778 HydrophobicContact CG1-CG2 3.62Å; N755-V778 WeakPolarHBondContact OD1-CA 3.14Å; I771-V778 HydrophobicContact CG1-CG2 4.41Å; A774-V778 HydrophobicContact CB-CB 3.75Å; A774-V778 HydrophobicContact CB-CG2 3.8Å; V778-L780 HydrophobicContact CG2-CD2 3.86Å
779T91.5Very high79.7Confident48 Ų4859.2 Ų59.229%0.29432%0.324SS..EExtended strand (participates in β ladder)trans-106.2119.1173.9-54.50000109D691 V692 V754 N755D691-T779 HydrophobicContact CB-CG2 4.27Å; V692-T779 CarbonylContact O-C 3.59Å; V692-T779 WeakPolarHBondContact O-CA 3.49Å; V754-T779 CarbonylContact C-O 3.57Å; N755-T779 PolarHBondContact N-O 2.81Å; N755-T779 PolarHBondContact OD1-N 2.66Å
780L93.1Very high77.6Confident0 Ų058.5 Ų58.50%032%0.32CS..EExtended strand (participates in β ladder)trans-106.3129.2179-53.3177.3000109.8D691 V692 I694 F704 L745 A753 V754 V778 I782D691-L780 CarbonylContact C-O 3.48Å; D691-L780 WeakPolarHBondContact CA-O 3.26Å; V692-L780 PolarHBondContact N-O 3.18Å; V692-L780 PolarHBondContact O-N 3.42Å; I694-L780 HydrophobicContact CD1-CD1 3.75Å; I694-L780 HydrophobicContact CD1-CG 4.49Å; F704-L780 HydrophobicContact CE1-CD1 4.03Å; F704-L780 HydrophobicContact CE2-CD1 4.04Å; F704-L780 HydrophobicContact CZ-CD1 3.58Å; F704-L780 HydrophobicContact CZ-CD2 4.32Å; L745-L780 HydrophobicContact CD1-CD1 4.39Å; L745-L780 HydrophobicContact CD2-CD1 4.44Å; A753-L780 WeakPolarHBondContact O-CA 3.34Å; V754-L780 HydrophobicContact CB-CD2 4.46Å; V754-L780 HydrophobicContact CG1-CD2 4.31Å; V754-L780 HydrophobicContact CG2-CD2 3.9Å; V778-L780 HydrophobicContact CG2-CD2 3.86Å; L780-I782 HydrophobicContact CB-CD1 3.7Å; L780-I782 HydrophobicContact CB-CG1 4.07Å; L780-I782 HydrophobicContact CD1-CD1 4.34Å
781R89.8Confident75.1Confident120 Ų12061.6 Ų61.645%0.45335%0.35SS..EExtended strand (participates in β ladder)trans-87.7122166.1-173.4159.4-71178.5-2.3108.8P689 D691 L752 A753P689-R781 HydrophobicContact CB-CG 4.08Å; D691-R781 VanDerWaalsContact OD1-CA 3.3Å; D691-R781 WeakPolarHBondContact OD1-CA 3.28Å; D691-R781 WeakPolarHBondContact OD1-CB 3.29Å; D691-R781 WeakPolarHBondContact OD1-CG 3.4Å; D691-R781 IonicContact OD1-CZ 2.77Å; D691-R781 IonicContact OD1-NE 3.63Å; D691-R781 PolarHBondContact OD1-NE 3.41Å; D691-R781 IonicContact OD1-NH2 2.66Å; D691-R781 IonicContact OD2-CZ 3.77Å; D691-R781 IonicContact OD2-NE 2.82Å; D691-R781 PolarHBondContact OD2-NE 3.19Å; D691-R781 IonicContact OD2-NH2 2.6Å; D691-R781 PolarHBondContact OD2-NH2 3.5Å; L752-R781 HydrophobicContact CB-CB 4.31Å; L752-R781 HydrophobicContact CB-CG 4.23Å; L752-R781 HydrophobicContact CD1-CG 4.3Å; L752-R781 PolarHBondContact N-O 3.11Å; A753-R781 HydrophobicContact CB-CB 3.9Å; A753-R781 PolarHBondContact N-O 2.76Å; A753-R781 PolarHBondContact O-N 2.97Å
782I91.1Very high72.8Confident0 Ų066.6 Ų66.60%038%0.382CS..EExtended strand (participates in β ladder)trans-120.8137.7-168.5-58.3-59.9000111P689 Y690 V692 L745 D749 R750 I751 L780P689-I782 CarbonylContact C-O 3.49Å; P689-I782 WeakPolarHBondContact CA-O 3.49Å; P689-I782 WeakPolarHBondContact CB-O 3.23Å; Y690-I782 HydrophobicContact CD1-CB 4.12Å; Y690-I782 HydrophobicContact CD1-CG2 4.31Å; Y690-I782 WeakPolarHBondContact CD1-O 3.41Å; Y690-I782 HydrophobicContact CE1-CB 3.69Å; Y690-I782 HydrophobicContact CE1-CG2 3.46Å; Y690-I782 VanDerWaalsContact CE1-CG2 3.46Å; Y690-I782 PolarHBondContact N-O 3.42Å; Y690-I782 PolarHBondContact O-N 3.05Å; V692-I782 HydrophobicContact CB-CG1 4.46Å; V692-I782 HydrophobicContact CG2-CG1 3.93Å; L745-I782 HydrophobicContact CD1-CD1 3.58Å; L745-I782 HydrophobicContact CD1-CG1 3.81Å; D749-I782 HydrophobicContact CB-CG2 3.55Å; R750-I782 CarbonylContact O-C 3.45Å; R750-I782 WeakPolarHBondContact O-CA 3.36Å; I751-I782 HydrophobicContact CB-CD1 4.35Å; I751-I782 HydrophobicContact CG1-CD1 3.88Å; L780-I782 HydrophobicContact CB-CD1 3.7Å; L780-I782 HydrophobicContact CB-CG1 4.07Å; L780-I782 HydrophobicContact CD1-CD1 4.34Å
783I87.6Confident70.7Confident48 Ų4864.6 Ų64.625%0.24638%0.377CS..EExtended strand (participates in β ladder)trans-97.6126.6156.6-55.5170.5000107.6V687 P689 R750 L752 G785V687-I783 HydrophobicContact CG1-CG2 3.93Å; P689-I783 HydrophobicContact CB-CG1 4.37Å; P689-I783 HydrophobicContact CG-CG1 4.2Å; R750-I783 PolarHBondContact N-O 3.01Å; R750-I783 PolarHBondContact O-N 2.82Å; L752-I783 HydrophobicContact CD1-CD1 3.83Å; L752-I783 HydrophobicContact CD1-CG1 3.64Å; L752-I783 HydrophobicContact CD2-CD1 3.85Å; L752-I783 HydrophobicContact CD2-CG1 4.41Å; L752-I783 HydrophobicContact CG-CD1 3.87Å; L752-I783 HydrophobicContact CG-CG1 3.86Å; I783-G785 PolarHBondContact O-N 2.88Å
784P83.4Confident68.4Low47 Ų4764.9 Ų64.931%0.30538%0.382SS..PPolyproline II helixtrans-47.8134.6167.5-28.433.6000112.9V687 Y690 D749V687-P784 HydrophobicContact CG1-CB 3.91Å; V687-P784 VanDerWaalsContact CG1-CD 3.47Å; V687-P784 HydrophobicContact CG1-CG 3.65Å; Y690-P784 HydrophobicContact CD1-CG 4Å; Y690-P784 HydrophobicContact CE1-CG 3.7Å; D749-P784 WeakPolarHBondContact OD1-CA 3.48Å
785G74.7Confident66.3Low21 Ų2170 Ų7022%0.21641%0.412CS..PPolyproline II helixtrans-83135.7176.900000113.7G748 D749 I783 E787G748-G785 WeakPolarHBondContact O-CA 3.41Å; D749-G785 PolarHBondContact OD1-N 3.31Å; D749-G785 VanDerWaalsContact OD1-N 3.17Å; I783-G785 PolarHBondContact O-N 2.88Å; G785-E787 PolarHBondContact O-N 2.98Å
786D58.6Low63.8Low93 Ų9375.2 Ų75.250%0.49743%0.433SS..PPolyproline II helixtrans-68.2124.4171.9-54-65.9000111.7S788 S789D786-S788 PolarHBondContact O-N 2.98Å; D786-S789 PolarHBondContact O-N 2.75Å; D786-S789 VanDerWaalsContact O-N 3.14Å; D786-S789 PolarHBondContact O-OG 2.66Å
787E50.6Low61.1Low155 Ų15574 Ų7472%0.72443%0.431SS*.G310 helixtrans-57.1-24-173.9-72.6-81.665.700114.5G785 S789 N790G785-E787 PolarHBondContact O-N 2.98Å; E787-S789 PolarHBondContact O-N 2.95Å; E787-S789 VanDerWaalsContact O-N 3.07Å; E787-N790 PolarHBondContact OE1-ND2 2.81Å
788S43.3Very low58.4Low113 Ų11380.2 Ų80.279%0.7946%0.458SS*.G310 helixtrans-61.2-14.7177.455.20000114.3D786D786-S788 PolarHBondContact O-N 2.98Å
789S46Very low55.4Low50 Ų5088.8 Ų88.835%0.3550%0.495SS..G310 helixtrans-94.515.3-172.8-58.20000115.2K729 D786 E787K729-S789 PolarHBondContact NZ-O 2.83Å; D786-S789 PolarHBondContact O-N 2.75Å; D786-S789 VanDerWaalsContact O-N 3.14Å; D786-S789 PolarHBondContact O-OG 2.66Å; E787-S789 PolarHBondContact O-N 2.95Å; E787-S789 VanDerWaalsContact O-N 3.07Å
790N41.5Very low52.7Low53 Ų5393.7 Ų93.728%0.28352%0.518SS..  trans-108.7-1.7-164.9-70.9-21000116K729 E787K729-N790 PolarHBondContact NZ-OD1 2.92Å; E787-N790 PolarHBondContact OE1-ND2 2.81Å
791A33.9Very low49.5Very low97 Ų9797.5 Ų97.580%0.80255%0.549SS*.SBendtrans-77.3-21.2-17600000116.1
792T38.1Very low46.5Very low123 Ų12398.5 Ų98.576%0.75557%0.569SS**SBendtrans-115.36.9-160.1-26.70000115.5
793L39.4Very low43.5Very low95 Ų95106.3 Ų106.350%0.49761%0.609SS.*  trans-122.95.7-166.6-68176.3000116.4T795L793-T795 PolarHBondContact O-N 2.87Å
794L34.8Very low40.7Very low145 Ų145109 Ų10976%0.75963%0.628SS**G310 helixtrans-79.9-9.4-175.2-78166.5000115.5
795T39.9Very low38.1Very low125 Ų125112.5 Ų112.577%0.76765%0.648SS**G310 helixtrans-82.5-14.4-172.948.20000115.8L793L793-T795 PolarHBondContact O-N 2.87Å
796N32.1Very low35.7Very low139 Ų139117.1 Ų117.174%0.74367%0.672SS**G310 helixtrans-108.92.4-168.2-75.3-44000115.4
797A32.3Very low34.1Very low37 Ų37121.1 Ų121.131%0.30669%0.688SS.*THydrogen-bonded Turntrans-953.2-160.200000116.9R732R732-A797 PolarHBondContact NH1-O 2.82Å; R732-A797 VanDerWaalsContact NH1-O 3.13Å
798E30.8Very low33Very low176 Ų176118.5 Ų118.582%0.82268%0.683SS**THydrogen-bonded Turntrans-102.79.2-172-59.8-156.1123.500116
799K30.5Very low32.1Very low180 Ų180118.9 Ų118.978%0.78368%0.682SS**SBendtrans-94.50.6-180-88.2174.8178.9164.20115.9
800I34.3Very low31.1Very low151 Ų151121.2 Ų121.277%0.77470%0.699SS**SBendtrans-139.473.6-175.4-43.9179.9000113
801A26.4Very low30.4Very low79 Ų79127 Ų12765%0.65372%0.724SS**  trans-167.783.416200000114.7
802T27.8Very low30Very low141 Ų141131.4 Ų131.487%0.86573%0.728SS**  trans-157.760.6156.5-42.30000114.3
803I28.1Very low29.3Very low164 Ų164129 Ų12984%0.84173%0.728SS**  trans-162.2135.9148.819.4173.3000107.6
804T27.7Very low28.6Very low106 Ų106130.8 Ų130.865%0.6574%0.743SS**  cis-146.8144.6-1.9-46.40000108.9
805T28.8Very low28.1Very low119 Ų119133.1 Ų133.173%0.7375%0.75SS**  trans-165139.5146.7-78.80000108.2
806T24.8Very low27.5Very low118 Ų118135.7 Ų135.772%0.72475%0.753SS**  trans-135.2123.5180-56.90000109.5
807H26Very low27.1Very low177 Ų177135.3 Ų135.382%0.81976%0.756SS**  trans-153.8157.6149.9-128.8-86000112.6
808T26.2Very low26.7Very low101 Ų101143.7 Ų143.762%0.6278%0.779SS**  trans-82.4150.3-16753.20000114.5
809P24.9Very low26.4Very low121 Ų121142 Ų14279%0.78678%0.776SS**  -120.7159.389.936.1-33.4000112.4
810S24.4Very low26.2Very low99 Ų99139.3 Ų139.369%0.69278%0.775SS**  cis96.183.625.5-600000116.3
811Q28.2Very low25.8Very low175 Ų175138.9 Ų138.982%0.81878%0.78SS**  trans77.4151.4150.8-59.4-165.111.700122.2
812Q24.6Very low25.7Very low189 Ų189144.5 Ų144.588%0.88379%0.79SS**  trans67.4136.4167.2-64.316912.200117
813G24.1Very low25.9Very low73 Ų73143.1 Ų143.175%0.75378%0.783SS**  cis-170.8174.1-2.800000114.9
814T23.8Very low25.6Very low132 Ų132143.2 Ų143.281%0.8178%0.777SS**  trans-25.3142171.551.10000119.6
815Q25.6Very low25.5Very low194 Ų194144.1 Ų144.191%0.90777%0.774SS**  -170.5173.7109.3-104.7176.4-6.500113.8
816E25.5Very low25.1Very low178 Ų178145.4 Ų145.483%0.83277%0.772SS**  trans-115.5-168.7-161.7-56.1-1799000114.9
817T24.5Very low25.1Very low131 Ų131145.6 Ų145.680%0.80478%0.778SS**  trans81.3124.617171.10000115.9
818R25Very low25Very low213 Ų213144.1 Ų144.180%0.80477%0.771SS**  cis84.6101.226.3-168.3-149.3167.4146.33.8114.5
819N23.8Very low25Very low140 Ų140149.7 Ų149.775%0.74979%0.787SS**  -174.3163.3116.9-96.1-33.5000114.7
820T26.3Very low24.9Very low125 Ų125150.6 Ų150.677%0.76778%0.781SS**  trans-94.4144.3-177-55.50000111.9
821T25Very low25.1Very low142 Ų142154.4 Ų154.487%0.87179%0.786SS**  trans-170.1148.8133.721.60000114.5
822K24.5Very low25Very low197 Ų197154.3 Ų154.386%0.85778%0.782SS**  trans-137.5153.3159.3-121.8-175-177.9-173.80104.8
823P32.9Very low25.2Very low111 Ų111149.4 Ų149.472%0.72177%0.774SS**  -160.5173.480.442-22000118.4
824K22.3Very low25.6Very low167 Ų167152 Ų15273%0.72678%0.777SS**  trans64.9162.4149.3-88.7-172.7162.7-144.50118.4
825Q23.7Very low25.9Very low124 Ų124154.8 Ų154.858%0.57978%0.781SS**  cis-151.9153.211.4-152.1159-39.300114.5
826E20.5Very low26.4Very low146 Ų146150.3 Ų150.368%0.68278%0.777SS**  trans50.5158.8157.1-91.6115.8-114.200120.5
827S25.5Very low26.7Very low122 Ų122148.5 Ų148.585%0.85378%0.779SS**  cis-133.6165.722.3-58.10000114.5
828Q23.7Very low27.3Very low147 Ų147150.3 Ų150.369%0.68778%0.778SS**  trans-125.6148.4-178.2172.8-177-10.100110.8E830Q828-E830 PolarHBondContact NE2-OE2 3.2Å
829F26.2Very low28.2Very low218 Ų218149.4 Ų149.496%0.95678%0.783SS**  trans-142.1150.3158.5-106.3-84.1000109.5
830E24.2Very low29.6Very low139 Ų139147.3 Ų147.365%0.6577%0.769SS**  trans-147.2133.5-160.9177.7-168.8145.700111.3Q828Q828-E830 PolarHBondContact NE2-OE2 3.2Å
831F27.6Very low32.2Very low180 Ų180146.4 Ų146.479%0.78976%0.759SS**  trans-158.1109140.6-141.6-110.5000114.9
832K26.3Very low35.4Very low173 Ų173144.6 Ų144.675%0.75274%0.739SS**  trans52.4127.8137.3-144.8168.2-171.1174.40121.2
833A29.3Very low38.6Very low86 Ų86136.9 Ų136.971%0.71171%0.705SS**  trans-111.8160.6-176.700000114.6
834P31.8Very low41.5Very low126 Ų126134 Ų13482%0.81869%0.686SS**  trans-76.7167.1146-7.927.1000111.3
835Q30Very low44.9Very low192 Ų192126.2 Ų126.290%0.89765%0.652SS**SBendtrans-90.4159-163.6-65.1170.9-61.600115.5
836A36.4Very low48.2Very low99 Ų99124.9 Ų124.982%0.81865%0.646SS**  trans6676.6156.700000118
837T31.8Very low51.6Low140 Ų140118.1 Ų118.186%0.85961%0.614SS**  trans-135143.9146.7-51.10000108E839T837-E839 PolarHBondContact O-N 3.47Å
838Q36.4Very low54.7Low169 Ų169118.5 Ų118.579%0.7960%0.603SS**  trans-62.3129.9-171.2-67.3163.9-29.700112.1Q840Q838-Q840 PolarHBondContact O-N 3.3Å; Q838-Q840 VanDerWaalsContact O-N 3.16Å
839E43.7Very low57.8Low195 Ų195117.8 Ų117.891%0.91159%0.594SS**  trans-64.3112.2163.9-69.8-175.3123.100108.5T837 D841T837-E839 PolarHBondContact O-N 3.47Å; E839-D841 PolarHBondContact O-N 3.36Å
840Q53.7Low60.5Low95 Ų95108.7 Ų108.744%0.44456%0.561SS.*  trans-83.9111.7173.6-67.7-176.68.700108.1Q838 F842 K923Q838-Q840 PolarHBondContact O-N 3.3Å; Q838-Q840 VanDerWaalsContact O-N 3.16Å; Q840-F842 VanDerWaalsContact C-N 3.35Å; Q840-F842 HydrophobicContact CB-CD2 4.33Å; Q840-F842 HydrophobicContact CB-CE1 4.42Å; Q840-F842 HydrophobicContact CB-CE2 3.65Å; Q840-F842 HydrophobicContact CB-CZ 3.7Å; Q840-F842 WeakPolarHBondContact O-CD2 3.44Å; Q840-F842 WeakPolarHBondContact O-CE2 3.47Å; Q840-F842 PolarHBondContact O-N 3.49Å; Q840-K923 HydrophobicContact CB-CD 4.23Å; Q840-K923 HydrophobicContact CB-CG 4.4Å; Q840-K923 HydrophobicContact CG-CD 4.47Å; Q840-K923 VanDerWaalsContact OE1-CD 3.31Å
841D81.1Confident63Low107 Ų107107.8 Ų107.857%0.57258%0.577SS**  trans-65.687.5-180-102.2-18.2000110.7E839 K923 R924E839-D841 PolarHBondContact O-N 3.36Å; D841-K923 WeakPolarHBondContact O-CA 3.37Å; D841-R924 HydrophobicContact CB-CB 3.42Å; D841-R924 VanDerWaalsContact CB-CB 3.42Å; D841-R924 HydrophobicContact CB-CG 4.17Å; D841-R924 PolarHBondContact O-N 3.21Å
842F91.3Very high65.5Low104 Ų104109 Ų10946%0.45658%0.582SS.*EExtended strand (participates in β ladder)trans-84.5131172.3-57.8-77000110.9Q840 L892 F921 L922 K923Q840-F842 VanDerWaalsContact C-N 3.35Å; Q840-F842 HydrophobicContact CB-CD2 4.33Å; Q840-F842 HydrophobicContact CB-CE1 4.42Å; Q840-F842 HydrophobicContact CB-CE2 3.65Å; Q840-F842 HydrophobicContact CB-CZ 3.7Å; Q840-F842 WeakPolarHBondContact O-CD2 3.44Å; Q840-F842 WeakPolarHBondContact O-CE2 3.47Å; Q840-F842 PolarHBondContact O-N 3.49Å; F842-L892 HydrophobicContact CD1-CD1 3.59Å; F842-L892 HydrophobicContact CE1-CD1 3.52Å; F842-F921 HydrophobicContact CB-CE1 4.41Å; F842-F921 HydrophobicContact CB-CE2 4.09Å; F842-F921 HydrophobicContact CB-CZ 3.66Å; F842-F921 HydrophobicContact CD1-CE1 4.29Å; F842-F921 HydrophobicContact CD1-CZ 4.34Å; F842-F921 HydrophobicContact CG-CZ 4.24Å; F842-L922 CarbonylContact C-O 3.55Å; F842-L922 WeakPolarHBondContact CA-O 3.38Å; F842-K923 HydrophobicContact CD1-CB 3.77Å; F842-K923 HydrophobicContact CD1-CD 4.48Å; F842-K923 HydrophobicContact CD1-CG 4.33Å; F842-K923 HydrophobicContact CE1-CB 3.87Å; F842-K923 HydrophobicContact CE1-CD 3.78Å; F842-K923 HydrophobicContact CE1-CG 4.11Å; F842-K923 HydrophobicContact CZ-CD 4.31Å
843Y92.8Very high68.5Low34 Ų34101.7 Ų101.713%0.13356%0.556CS.*EExtended strand (participates in β ladder)trans-152.1153.6-17872.9-75.5000112.7V845 K884 M885 D889 L922 R924Y843-V845 HydrophobicContact CD2-CG1 3.95Å; Y843-V845 HydrophobicContact CE2-CG1 3.52Å; Y843-K884 HydrophobicContact CD2-CB 4.38Å; Y843-K884 HydrophobicContact CE2-CB 4.01Å; Y843-K884 VanDerWaalsContact CE2-O 3.3Å; Y843-K884 WeakPolarHBondContact CE2-O 3.23Å; Y843-K884 PolarHBondContact OH-O 2.83Å; Y843-M885 WeakPolarHBondContact OH-CA 3.44Å; Y843-D889 PolarHBondContact OH-OD2 3.49Å; Y843-L922 HydrophobicContact CD1-CB 4.35Å; Y843-L922 HydrophobicContact CE1-CB 3.72Å; Y843-L922 HydrophobicContact CE2-CD1 4.41Å; Y843-L922 PolarHBondContact N-O 2.81Å; Y843-L922 PolarHBondContact O-N 3.27Å; Y843-R924 VanDerWaalsContact CE1-CZ 3.43Å; Y843-R924 VanDerWaalsContact CE1-NH2 3.35Å; Y843-R924 PolarHBondContact OH-NH1 2.93Å
844T93.1Very high71.4Confident51 Ų5198.3 Ų98.331%0.31353%0.526SS..EExtended strand (participates in β ladder)trans-99.9139175.3-58.30000110.9R919 L920T844-R919 HydrophobicContact CG2-CG 3.71Å; T844-L920 WeakPolarHBondContact CA-O 3.5Å
845V93.8Very high74.2Confident4 Ų492.8 Ų92.82%0.02449%0.491CS..EExtended strand (participates in β ladder)trans-118.2150159.3-570000110.8Y843 L847 K884 M885 R919 L920 L922Y843-V845 HydrophobicContact CD2-CG1 3.95Å; Y843-V845 HydrophobicContact CE2-CG1 3.52Å; V845-L847 HydrophobicContact CB-CD2 4.39Å; V845-L847 HydrophobicContact CG2-CD1 4.46Å; V845-L847 HydrophobicContact CG2-CD2 4.28Å; V845-L847 HydrophobicContact CG2-CG 4.11Å; V845-K884 HydrophobicContact CG1-CB 3.74Å; V845-K884 HydrophobicContact CG1-CD 4.29Å; V845-M885 HydrophobicContact CG2-SD 3.89Å; V845-R919 WeakPolarHBondContact O-CA 3.36Å; V845-L920 HydrophobicContact CG2-CB 3.9Å; V845-L920 HydrophobicContact CG2-CD1 4.16Å; V845-L920 HydrophobicContact CG2-CG 4.42Å; V845-L920 PolarHBondContact N-O 3.42Å; V845-L920 PolarHBondContact O-N 3.01Å; V845-L922 HydrophobicContact CG1-CD1 4.5Å; V845-L922 HydrophobicContact CG2-CD1 3.67Å
846E92.5Very high77.2Confident96 Ų9685.1 Ų85.145%0.44946%0.455SS..EExtended strand (participates in β ladder)trans-120.4126.2164.2-65.3-169.1-178.500107.9R917 V918 R919E846-R917 IonicContact OE2-CZ 3.6Å; E846-R917 IonicContact OE2-NE 3.75Å; E846-R917 IonicContact OE2-NH2 2.67Å; E846-R917 PolarHBondContact OE2-NH2 3.23Å; E846-V918 WeakPolarHBondContact CA-O 3.43Å; E846-R919 HydrophobicContact CG-CB 4Å; E846-R919 HydrophobicContact CG-CG 3.95Å
847L92.4Very high79.8Confident3 Ų383.2 Ų83.22%0.01644%0.436CS..EExtended strand (participates in β ladder)trans-116.5132.9-176.3-55.8180000109.7V845 F854 F856 A879 C882 M885 R917 V918 L920V845-L847 HydrophobicContact CB-CD2 4.39Å; V845-L847 HydrophobicContact CG2-CD1 4.46Å; V845-L847 HydrophobicContact CG2-CD2 4.28Å; V845-L847 HydrophobicContact CG2-CG 4.11Å; L847-F854 HydrophobicContact CB-CD1 3.95Å; L847-F854 HydrophobicContact CD1-CB 4.41Å; L847-F854 WeakPolarHBondContact O-CE1 3.27Å; L847-F856 HydrophobicContact CD1-CD1 3.89Å; L847-F856 HydrophobicContact CD1-CE1 3.86Å; L847-A879 HydrophobicContact CD1-CB 3.76Å; L847-C882 HydrophobicContact CD2-CB 3.6Å; L847-M885 HydrophobicContact CD1-CE 4.39Å; L847-M885 HydrophobicContact CD1-SD 4.27Å; L847-R917 VanDerWaalsContact O-CA 3.32Å; L847-R917 WeakPolarHBondContact O-CA 3.4Å; L847-V918 HydrophobicContact CB-CG1 4Å; L847-V918 PolarHBondContact N-O 3.23Å; L847-V918 PolarHBondContact O-N 3.11Å; L847-L920 HydrophobicContact CD1-CD1 4.18Å
848E89.8Confident82.7Confident131 Ų13177.5 Ų77.561%0.61240%0.4SS*.EExtended strand (participates in β ladder)trans-89.9143.9171.3-55.1-149129.200111G850 P878 R917E848-G850 PolarHBondContact O-N 3.46Å; E848-P878 WeakPolarHBondContact O-CB 3.43Å; E848-P878 WeakPolarHBondContact O-CG 3.47Å; E848-R917 HydrophobicContact CG-CG 4.01Å
849R89.6Confident85.3Confident132 Ų13271.6 Ų71.650%0.49837%0.37SS..  trans-78.2107.8-174.1-170.2169.6174.2168.5-3.6111.3F854 G915 R916R849-F854 HydrophobicContact CB-CD1 4.08Å; R849-F854 HydrophobicContact CB-CE1 3.58Å; R849-F854 HydrophobicContact CB-CZ 3.89Å; R849-F854 HydrophobicContact CG-CE1 4.26Å; R849-F854 HydrophobicContact CG-CZ 4.23Å; R849-G915 WeakPolarHBondContact CD-O 3.01Å; R849-G915 PolarHBondContact NH1-O 2.69Å; R849-R916 WeakPolarHBondContact CB-O 3.31Å; R849-R916 PolarHBondContact N-O 3.47Å
850G82.9Confident87.5Confident27 Ų2762.3 Ų62.328%0.27833%0.327SS..BIsolated β-bridgetrans-79.1178.3172.100000113.2E848 K852 G853E848-G850 PolarHBondContact O-N 3.46Å; G850-K852 PolarHBondContact O-N 3.44Å; G850-G853 WeakPolarHBondContact CA-O 3.27Å; G850-G853 PolarHBondContact N-O 3.13Å; G850-G853 WeakPolarHBondContact O-CA 3.37Å; G850-G853 PolarHBondContact O-N 3.02Å
851A77.2Confident89.2Confident119 Ų11957.8 Ų57.898%0.98331%0.306SS*.THydrogen-bonded Turntrans-58.3-29.8-178.700000114.1
852K80.1Confident89.6Confident205 Ų20560.1 Ų60.189%0.89131%0.307SS*.THydrogen-bonded Turntrans-99.223.2174.3-61.4-179.9-177.9173.10112.8G850G850-K852 PolarHBondContact O-N 3.44Å
853G88.1Confident89.2Confident20 Ų2057.6 Ų57.621%0.20630%0.297CS..BIsolated β-bridgetrans82.1-154.2-17200000112.9G850 G855G850-G853 WeakPolarHBondContact CA-O 3.27Å; G850-G853 PolarHBondContact N-O 3.13Å; G850-G853 WeakPolarHBondContact O-CA 3.37Å; G850-G853 PolarHBondContact O-N 3.02Å; G853-G855 VanDerWaalsContact C-N 3.29Å; G853-G855 PolarHBondContact O-N 3.04Å
854F92.1Very high88.7Confident15 Ų1559.2 Ų59.27%0.06630%0.303CS..THydrogen-bonded Turntrans-78.1-8.2-178.4-60.6-71.8000114.2L847 R849 F856 P878 A879 I911 V918L847-F854 HydrophobicContact CB-CD1 3.95Å; L847-F854 HydrophobicContact CD1-CB 4.41Å; L847-F854 WeakPolarHBondContact O-CE1 3.27Å; R849-F854 HydrophobicContact CB-CD1 4.08Å; R849-F854 HydrophobicContact CB-CE1 3.58Å; R849-F854 HydrophobicContact CB-CZ 3.89Å; R849-F854 HydrophobicContact CG-CE1 4.26Å; R849-F854 HydrophobicContact CG-CZ 4.23Å; F854-F856 HydrophobicContact CB-CD1 3.77Å; F854-F856 HydrophobicContact CB-CE1 3.63Å; F854-F856 HydrophobicContact CG-CE1 4.38Å; F854-P878 WeakPolarHBondContact O-CB 3.48Å; F854-P878 WeakPolarHBondContact O-CD 3.17Å; F854-A879 WeakPolarHBondContact O-CB 3.41Å; F854-A879 PolarHBondContact O-N 2.95Å; F854-I911 HydrophobicContact CD2-CG2 3.63Å; F854-I911 HydrophobicContact CE2-CG2 3.72Å; F854-I911 WeakPolarHBondContact CE2-O 3.17Å; F854-V918 HydrophobicContact CD1-CG1 3.66Å; F854-V918 HydrophobicContact CD2-CG1 4Å; F854-V918 HydrophobicContact CE1-CB 4.09Å; F854-V918 HydrophobicContact CE1-CG1 3.68Å; F854-V918 HydrophobicContact CE2-CB 4.21Å; F854-V918 HydrophobicContact CE2-CG1 4.03Å; F854-V918 HydrophobicContact CG-CG1 3.82Å; F854-V918 HydrophobicContact CZ-CB 3.91Å; F854-V918 HydrophobicContact CZ-CG1 3.87Å
855G89.6Confident88.2Confident10 Ų1063.3 Ų63.310%0.10332%0.323CS..SBendtrans77.127.5174.400000115.4G853 A874G853-G855 VanDerWaalsContact C-N 3.29Å; G853-G855 PolarHBondContact O-N 3.04Å; G855-A874 PolarHBondContact O-N 2.64Å
856F93.2Very high87.9Confident32 Ų3264.4 Ų64.414%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-138.2157.4169.572.5-83.8000111.6L847 F854 V870 R872 L873 A879 M885 I891 I911 L920L847-F856 HydrophobicContact CD1-CD1 3.89Å; L847-F856 HydrophobicContact CD1-CE1 3.86Å; F854-F856 HydrophobicContact CB-CD1 3.77Å; F854-F856 HydrophobicContact CB-CE1 3.63Å; F854-F856 HydrophobicContact CG-CE1 4.38Å; F856-V870 HydrophobicContact CB-CG1 4.44Å; F856-R872 CarbonylContact C-O 3.52Å; F856-R872 VanDerWaalsContact CA-O 3.28Å; F856-R872 WeakPolarHBondContact CA-O 3.3Å; F856-L873 HydrophobicContact CB-CD2 3.9Å; F856-A879 HydrophobicContact CB-CB 3.83Å; F856-A879 HydrophobicContact CD1-CB 4.05Å; F856-A879 HydrophobicContact CG-CB 4.37Å; F856-M885 HydrophobicContact CB-CE 3.52Å; F856-M885 HydrophobicContact CD1-CE 3.84Å; F856-M885 HydrophobicContact CD2-CE 3.86Å; F856-M885 HydrophobicContact CG-CE 3.48Å; F856-M885 VanDerWaalsContact CG-CE 3.48Å; F856-I891 HydrophobicContact CE2-CD1 4.03Å; F856-I911 HydrophobicContact CE2-CD1 4.18Å; F856-I911 HydrophobicContact CZ-CD1 3.92Å; F856-I911 HydrophobicContact CZ-CG1 4.48Å; F856-I911 HydrophobicContact CZ-CG2 4.39Å; F856-L920 HydrophobicContact CE1-CD1 3.96Å; F856-L920 HydrophobicContact CE2-CD1 4.34Å; F856-L920 HydrophobicContact CZ-CD1 3.68Å
857S91.7Very high87.7Confident58 Ų5863.1 Ų63.141%0.40633%0.325SS..EExtended strand (participates in β ladder)trans-109.9144.3174.5-65.10000110.9L871 R872S857-L871 PolarHBondContact O-N 3.19Å; S857-R872 PolarHBondContact N-O 2.9Å
858L92.6Very high87.8Confident21 Ų2163 Ų6311%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-106.7148.4-178.6-167.866.6000111.2L868 Y869 I891 A907 I908 I911L858-L868 HydrophobicContact CD1-CB 4.17Å; L858-L868 HydrophobicContact CD1-CD2 4.4Å; L858-L868 HydrophobicContact CD2-CD2 4.13Å; L858-L868 HydrophobicContact CG-CD2 4.22Å; L858-Y869 CarbonylContact C-O 3.48Å; L858-I891 HydrophobicContact CD1-CD1 3.58Å; L858-I891 HydrophobicContact CD1-CG1 4.41Å; L858-A907 HydrophobicContact CD2-CB 3.8Å; L858-I908 HydrophobicContact CB-CD1 4.09Å; L858-I908 HydrophobicContact CD2-CD1 3.73Å; L858-I908 HydrophobicContact CD2-CG1 4.13Å; L858-I911 HydrophobicContact CD2-CD1 4.09Å
859R90.3Very high88Confident44 Ų4458.8 Ų58.817%0.16630%0.303CS..EExtended strand (participates in β ladder)trans-139.9163.4171.4-179.7168172.680.94110.5L868 Y869 L871 V929 P930R859-L868 WeakPolarHBondContact O-CA 3.44Å; R859-Y869 PolarHBondContact N-O 3.21Å; R859-Y869 PolarHBondContact O-N 3.04Å; R859-L871 HydrophobicContact CB-CB 3.98Å; R859-L871 HydrophobicContact CB-CD2 4.26Å; R859-L871 HydrophobicContact CB-CG 4.49Å; R859-V929 HydrophobicContact CB-CG1 4.4Å; R859-V929 HydrophobicContact CG-CG1 4.38Å; R859-P930 PolarHBondContact NE-O 3.15Å
860G90.8Very high88.2Confident0 Ų052.5 Ų52.50%028%0.279CS..EExtended strand (participates in β ladder)trans81.2-169.4-178.200000113D867 L868 H904G860-D867 WeakPolarHBondContact CA-O 3.39Å; G860-L868 WeakPolarHBondContact O-CD2 3.38Å; G860-H904 WeakPolarHBondContact O-CB 3.44Å; G860-H904 PolarHBondContact O-ND1 2.73Å
861G88.7Confident88.6Confident1 Ų154.1 Ų54.11%0.0128%0.281CS..EExtended strand (participates in β ladder)trans126155.2-171.100000111.5E863 Y864 N865 M866G861-E863 PolarHBondContact O-N 3.26Å; G861-E863 VanDerWaalsContact O-N 3.16Å; G861-Y864 CarbonylContact O-C 3.6Å; G861-Y864 WeakPolarHBondContact O-CA 3.08Å; G861-Y864 WeakPolarHBondContact O-CB 3.48Å; G861-Y864 PolarHBondContact O-N 3.43Å; G861-N865 PolarHBondContact O-N 2.74Å; G861-M866 CarbonylContact C-O 3.54Å; G861-M866 VanDerWaalsContact CA-O 3.23Å; G861-M866 WeakPolarHBondContact CA-O 3.44Å; G861-M866 PolarHBondContact N-O 3.41Å; G861-M866 PolarHBondContact O-N 3.09Å; G861-M866 VanDerWaalsContact O-O 3.07Å
862R88.3Confident89.1Confident156 Ų15656.4 Ų56.459%0.58926%0.264SS*.G310 helixtrans-56.4-33.1-174.7-179.5177171.7-153.6-2.6113.9Y864 N865 N901 M902R862-Y864 PolarHBondContact O-N 3.25Å; R862-N865 PolarHBondContact O-N 2.93Å; R862-N865 VanDerWaalsContact O-N 3.08Å; R862-N901 WeakPolarHBondContact CB-O 3.38Å; R862-N901 WeakPolarHBondContact CD-O 3.45Å; R862-M902 WeakPolarHBondContact CB-O 3.29Å; R862-M902 PolarHBondContact N-O 2.77Å
863E83.3Confident89.6Confident50 Ų5048.3 Ų48.323%0.23423%0.23CC..G310 helixtrans-67.8-10.4175.765.5-87.8-113.100113.8G861 K903 H904 S905G861-E863 PolarHBondContact O-N 3.26Å; G861-E863 VanDerWaalsContact O-N 3.16Å; E863-K903 WeakPolarHBondContact OE1-CB 3.31Å; E863-K903 WeakPolarHBondContact OE2-CA 3.42Å; E863-H904 VanDerWaalsContact CD-N 3.26Å; E863-H904 PolarHBondContact OE1-N 3.32Å; E863-H904 PolarHBondContact OE2-N 3Å; E863-S905 PolarHBondContact OE1-N 3.45Å; E863-S905 PolarHBondContact OE1-OG 2.96Å
864Y82.1Confident89.7Confident68 Ų6849.4 Ų49.427%0.26724%0.237SC..G310 helixtrans-112.510.4172.3-52-65.2000113.1G861 R862 M866 H904 Y932G861-Y864 CarbonylContact O-C 3.6Å; G861-Y864 WeakPolarHBondContact O-CA 3.08Å; G861-Y864 WeakPolarHBondContact O-CB 3.48Å; G861-Y864 PolarHBondContact O-N 3.43Å; R862-Y864 PolarHBondContact O-N 3.25Å; Y864-M866 PolarHBondContact O-N 3.41Å; Y864-H904 HydrophobicContact CD2-CB 4.44Å; Y864-H904 HydrophobicContact CE2-CB 3.9Å; Y864-Y932 VanDerWaalsContact CB-CE1 3.48Å; Y864-Y932 AromaticContact CD1-CE1 3.82Å; Y864-Y932 HydrophobicContact CD1-CE1 3.82Å; Y864-Y932 AromaticContact CD1-CZ 3.81Å; Y864-Y932 HydrophobicContact CD2-CE1 4.06Å; Y864-Y932 HydrophobicContact CG-CD1 4.34Å; Y864-Y932 AromaticContact CG-CE1 3.5Å; Y864-Y932 HydrophobicContact CG-CE1 3.5Å; Y864-Y932 AromaticContact CG-CZ 3.84Å
865N83.6Confident89.4Confident138 Ų13857 Ų5774%0.73827%0.273SS*.THydrogen-bonded Turntrans48.740.7-174.6-160.168.7000113.8G861 R862 I935G861-N865 PolarHBondContact O-N 2.74Å; R862-N865 PolarHBondContact O-N 2.93Å; R862-N865 VanDerWaalsContact O-N 3.08Å; N865-I935 HydrophobicContact CB-CD1 3.98Å
866M86.9Confident89.1Confident27 Ų2762.5 Ų62.513%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-139.7148.4179.8-75.1179.553.400110.6G861 Y864 Y869 P930 Y932G861-M866 CarbonylContact C-O 3.54Å; G861-M866 VanDerWaalsContact CA-O 3.23Å; G861-M866 WeakPolarHBondContact CA-O 3.44Å; G861-M866 PolarHBondContact N-O 3.41Å; G861-M866 PolarHBondContact O-N 3.09Å; G861-M866 VanDerWaalsContact O-O 3.07Å; Y864-M866 PolarHBondContact O-N 3.41Å; M866-Y869 HydrophobicContact CE-CD2 4.22Å; M866-Y869 HydrophobicContact CE-CE2 4.43Å; M866-P930 HydrophobicContact CE-CB 3.76Å; M866-P930 HydrophobicContact CE-CG 4.34Å; M866-Y932 HydrophobicContact SD-CD1 3.59Å; M866-Y932 VanDerWaalsContact SD-CD1 3.59Å; M866-Y932 HydrophobicContact SD-CE1 4.08Å
867D89.1Confident88.9Confident69 Ų6961.3 Ų61.337%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-69.5175.7165-58.5-73.7000111.7G860 Y869G860-D867 WeakPolarHBondContact CA-O 3.39Å; D867-Y869 HydrophobicContact CB-CE2 4.1Å; D867-Y869 WeakPolarHBondContact O-CD2 3.35Å; D867-Y869 WeakPolarHBondContact O-CE2 3.41Å
868L93.8Very high88.8Confident1 Ų159.2 Ų59.21%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-92.2134-172.1-67.6177.4000112.5L858 R859 G860 E890 I891 I894 T899 A907L858-L868 HydrophobicContact CD1-CB 4.17Å; L858-L868 HydrophobicContact CD1-CD2 4.4Å; L858-L868 HydrophobicContact CD2-CD2 4.13Å; L858-L868 HydrophobicContact CG-CD2 4.22Å; R859-L868 WeakPolarHBondContact O-CA 3.44Å; G860-L868 WeakPolarHBondContact O-CD2 3.38Å; L868-E890 CarbonylContact O-C 3.57Å; L868-E890 WeakPolarHBondContact O-CA 3.43Å; L868-I891 HydrophobicContact CB-CB 4.22Å; L868-I891 PolarHBondContact O-N 3.01Å; L868-I894 HydrophobicContact CD1-CD1 4.15Å; L868-T899 HydrophobicContact CD1-CG2 3.65Å; L868-A907 HydrophobicContact CD1-CB 3.4Å; L868-A907 HydrophobicContact CD2-CB 4.26Å
869Y93.9Very high88.8Confident41 Ų4158.2 Ų58.216%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-132.9147.8-176.7-66.5-91.2000113.1L858 R859 M866 D867 L871 G888 D889 E890 P930L858-Y869 CarbonylContact C-O 3.48Å; R859-Y869 PolarHBondContact N-O 3.21Å; R859-Y869 PolarHBondContact O-N 3.04Å; M866-Y869 HydrophobicContact CE-CD2 4.22Å; M866-Y869 HydrophobicContact CE-CE2 4.43Å; D867-Y869 HydrophobicContact CB-CE2 4.1Å; D867-Y869 WeakPolarHBondContact O-CD2 3.35Å; D867-Y869 WeakPolarHBondContact O-CE2 3.41Å; Y869-L871 PolarHBondContact O-N 2.84Å; Y869-G888 WeakPolarHBondContact CD1-O 3.27Å; Y869-D889 CarbonylContact C-O 3.56Å; Y869-D889 WeakPolarHBondContact CA-O 3.46Å; Y869-E890 HydrophobicContact CD1-CB 4.04Å; Y869-E890 HydrophobicContact CD1-CG 4.46Å; Y869-E890 HydrophobicContact CE1-CB 3.7Å; Y869-E890 HydrophobicContact CE1-CG 3.92Å; Y869-P930 HydrophobicContact CE1-CG 4.39Å; Y869-P930 HydrophobicContact CE2-CG 4.23Å
870V93.6Very high88.7Confident0 Ų060.1 Ų60.10%029%0.288CS..EExtended strand (participates in β ladder)trans-76.3105.1172.8179.80000109.7F856 L873 M885 R886 G888 D889 I891 L922 V929F856-V870 HydrophobicContact CB-CG1 4.44Å; V870-L873 HydrophobicContact CG1-CD2 3.78Å; V870-M885 HydrophobicContact CG1-CE 3.92Å; V870-M885 HydrophobicContact CG2-CE 3.81Å; V870-M885 HydrophobicContact CG2-CG 4.35Å; V870-M885 HydrophobicContact CG2-SD 4.3Å; V870-R886 WeakPolarHBondContact CB-O 3.49Å; V870-R886 WeakPolarHBondContact CG1-O 3.23Å; V870-G888 PolarHBondContact O-N 3.39Å; V870-D889 HydrophobicContact CG2-CB 4.25Å; V870-D889 PolarHBondContact N-O 3.14Å; V870-I891 HydrophobicContact CG2-CD1 4Å; V870-I891 HydrophobicContact CG2-CG1 4.05Å; V870-L922 HydrophobicContact CG2-CD2 3.78Å; V870-V929 WeakPolarHBondContact O-CG2 3.37Å
871L91.2Very high88.6Confident61 Ų6167.9 Ų67.932%0.31932%0.317SS..EExtended strand (participates in β ladder)trans-79.5-38.7-174.7179.358.9000113.5S857 R859 Y869 I887 V929S857-L871 PolarHBondContact O-N 3.19Å; R859-L871 HydrophobicContact CB-CB 3.98Å; R859-L871 HydrophobicContact CB-CD2 4.26Å; R859-L871 HydrophobicContact CB-CG 4.49Å; Y869-L871 PolarHBondContact O-N 2.84Å; L871-I887 WeakPolarHBondContact O-CG2 3.46Å; L871-V929 HydrophobicContact CD1-CB 4.44Å; L871-V929 HydrophobicContact CD1-CG1 4.18Å; L871-V929 HydrophobicContact CD1-CG2 4.45Å
872R88.9Confident88.6Confident167 Ų16769.6 Ų69.663%0.6333%0.328SS*.EExtended strand (participates in β ladder)trans-151.1150.2178.2-69.6-173.4-177.7145.14.2109.6F856 S857F856-R872 CarbonylContact C-O 3.52Å; F856-R872 VanDerWaalsContact CA-O 3.28Å; F856-R872 WeakPolarHBondContact CA-O 3.3Å; S857-R872 PolarHBondContact N-O 2.9Å
873L90.6Very high88.4Confident36 Ų3665.2 Ų65.219%0.18833%0.332CS..EExtended strand (participates in β ladder)trans-98.4151.9156.7-55.4-179.7000108.1F856 V870 A879 E880 M885 I887F856-L873 HydrophobicContact CB-CD2 3.9Å; V870-L873 HydrophobicContact CG1-CD2 3.78Å; L873-A879 HydrophobicContact CD2-CB 3.89Å; L873-E880 HydrophobicContact CB-CB 4.37Å; L873-E880 HydrophobicContact CD1-CB 4.49Å; L873-M885 WeakPolarHBondContact CD1-O 3.49Å; L873-M885 HydrophobicContact CD2-CE 3.77Å; L873-I887 HydrophobicContact CG-CG1 4.25Å
874A89.3Confident88.7Confident42 Ų4268.7 Ų68.735%0.34735%0.346SS..PPolyproline II helixtrans-95.1133.8171.400000109.2G855 D876 G877G855-A874 PolarHBondContact O-N 2.64Å; A874-D876 PolarHBondContact O-N 2.83Å; A874-G877 VanDerWaalsContact O-CA 3.26Å; A874-G877 WeakPolarHBondContact O-CA 3.41Å; A874-G877 PolarHBondContact O-N 3.37Å
875E85.3Confident89.2Confident175 Ų17565.8 Ų65.882%0.81834%0.335SS*.THydrogen-bonded Turntrans-54.5132.3174.7-168.1172.5-160.300110.7G877 E880E875-G877 PolarHBondContact O-N 3.16Å; E875-E880 VanDerWaalsContact CA-OE2 3.31Å; E875-E880 WeakPolarHBondContact CA-OE2 3.5Å
876D84.5Confident89.5Confident125 Ų12566.7 Ų66.767%0.66833%0.328SS*.THydrogen-bonded Turntrans57.211.3-169.8-89.7-45000114.9A874 E880 R881A874-D876 PolarHBondContact O-N 2.83Å; D876-E880 PolarHBondContact N-OE2 2.79Å; D876-R881 WeakPolarHBondContact O-CD 3.41Å; D876-R881 PolarHBondContact O-NH1 3Å
877G88Confident89.7Confident7 Ų768.9 Ų68.97%0.07234%0.34CS..  trans-74.2151.8-178.800000113.1A874 E875 A879 E880 R881A874-G877 VanDerWaalsContact O-CA 3.26Å; A874-G877 WeakPolarHBondContact O-CA 3.41Å; A874-G877 PolarHBondContact O-N 3.37Å; E875-G877 PolarHBondContact O-N 3.16Å; G877-A879 PolarHBondContact O-N 2.68Å; G877-A879 VanDerWaalsContact O-N 3.12Å; G877-E880 PolarHBondContact O-N 2.73Å; G877-R881 WeakPolarHBondContact O-CG 3.32Å; G877-R881 PolarHBondContact O-N 3.29Å
878P90.9Very high89.6Confident15 Ų1565.7 Ų65.710%0.09732%0.323CS..Hα-helixtrans-54.1-34.7-179.3-26.232.8000114.9E848 F854 C882E848-P878 WeakPolarHBondContact O-CB 3.43Å; E848-P878 WeakPolarHBondContact O-CG 3.47Å; F854-P878 WeakPolarHBondContact O-CB 3.48Å; F854-P878 WeakPolarHBondContact O-CD 3.17Å; P878-C882 PolarHBondContact O-N 2.78Å; P878-C882 VanDerWaalsContact O-N 3.09Å
879A91.4Very high89.6Confident0 Ų065.6 Ų65.60%032%0.322CS..Hα-helixtrans-67.7-34.1175.400000114.1L847 F854 F856 L873 G877 C882 M885L847-A879 HydrophobicContact CD1-CB 3.76Å; F854-A879 WeakPolarHBondContact O-CB 3.41Å; F854-A879 PolarHBondContact O-N 2.95Å; F856-A879 HydrophobicContact CB-CB 3.83Å; F856-A879 HydrophobicContact CD1-CB 4.05Å; F856-A879 HydrophobicContact CG-CB 4.37Å; L873-A879 HydrophobicContact CD2-CB 3.89Å; G877-A879 PolarHBondContact O-N 2.68Å; G877-A879 VanDerWaalsContact O-N 3.12Å; A879-C882 PolarHBondContact O-SG 2.86Å; A879-M885 HydrophobicContact CB-CE 3.8Å
880E88.8Confident89.6Confident84 Ų8464.6 Ų64.639%0.39332%0.319SS..Hα-helixtrans-77-46.9174.7-174.3178.8-105.500110.6L873 E875 D876 G877 C882 G883L873-E880 HydrophobicContact CB-CB 4.37Å; L873-E880 HydrophobicContact CD1-CB 4.49Å; E875-E880 VanDerWaalsContact CA-OE2 3.31Å; E875-E880 WeakPolarHBondContact CA-OE2 3.5Å; D876-E880 PolarHBondContact N-OE2 2.79Å; G877-E880 PolarHBondContact O-N 2.73Å; E880-C882 PolarHBondContact O-N 3.12Å; E880-G883 PolarHBondContact O-N 3.32Å
881R88.7Confident89.7Confident162 Ų16264.6 Ų64.661%0.61132%0.319SS*.Hα-helixtrans-61.7-14.4175.9-59.8-167.8-39.7-108.63.6113.8D876 G877 G883D876-R881 WeakPolarHBondContact O-CD 3.41Å; D876-R881 PolarHBondContact O-NH1 3Å; G877-R881 WeakPolarHBondContact O-CG 3.32Å; G877-R881 PolarHBondContact O-N 3.29Å; R881-G883 VanDerWaalsContact C-N 3.28Å
882C87.9Confident89.8Confident37 Ų3763.5 Ų63.525%0.2531%0.313CS..THydrogen-bonded Turntrans-75.8-16.8171.6950000113.1L847 P878 A879 E880 K884L847-C882 HydrophobicContact CD2-CB 3.6Å; P878-C882 PolarHBondContact O-N 2.78Å; P878-C882 VanDerWaalsContact O-N 3.09Å; A879-C882 PolarHBondContact O-SG 2.86Å; E880-C882 PolarHBondContact O-N 3.12Å; C882-K884 PolarHBondContact O-N 3.31Å
883G85.4Confident90.1Very high65 Ų6558.8 Ų58.867%0.6730%0.299SS*.SBendtrans66.3-6176.200000116.3E880 R881E880-G883 PolarHBondContact O-N 3.32Å; R881-G883 VanDerWaalsContact C-N 3.28Å
884K87.8Confident90.4Very high123 Ų12357.1 Ų57.154%0.53529%0.29SS..SBendtrans-102.9-29.3-172.3-69.3175.1179.6-178.90114Y843 V845 C882 R924Y843-K884 HydrophobicContact CD2-CB 4.38Å; Y843-K884 HydrophobicContact CE2-CB 4.01Å; Y843-K884 VanDerWaalsContact CE2-O 3.3Å; Y843-K884 WeakPolarHBondContact CE2-O 3.23Å; Y843-K884 PolarHBondContact OH-O 2.83Å; V845-K884 HydrophobicContact CG1-CB 3.74Å; V845-K884 HydrophobicContact CG1-CD 4.29Å; C882-K884 PolarHBondContact O-N 3.31Å; K884-R924 PolarHBondContact O-NH1 3.23Å; K884-R924 PolarHBondContact O-NH2 3.21Å
885M92.6Very high90.5Very high7 Ų758.3 Ų58.33%0.03429%0.29CS..  trans-89.1145.6-178.4-139.2167.183.100110.8Y843 V845 L847 F856 V870 L873 A879 L920 L922Y843-M885 WeakPolarHBondContact OH-CA 3.44Å; V845-M885 HydrophobicContact CG2-SD 3.89Å; L847-M885 HydrophobicContact CD1-CE 4.39Å; L847-M885 HydrophobicContact CD1-SD 4.27Å; F856-M885 HydrophobicContact CB-CE 3.52Å; F856-M885 HydrophobicContact CD1-CE 3.84Å; F856-M885 HydrophobicContact CD2-CE 3.86Å; F856-M885 HydrophobicContact CG-CE 3.48Å; F856-M885 VanDerWaalsContact CG-CE 3.48Å; V870-M885 HydrophobicContact CG1-CE 3.92Å; V870-M885 HydrophobicContact CG2-CE 3.81Å; V870-M885 HydrophobicContact CG2-CG 4.35Å; V870-M885 HydrophobicContact CG2-SD 4.3Å; L873-M885 WeakPolarHBondContact CD1-O 3.49Å; L873-M885 HydrophobicContact CD2-CE 3.77Å; A879-M885 HydrophobicContact CB-CE 3.8Å; M885-L920 HydrophobicContact SD-CD1 3.95Å; M885-L922 HydrophobicContact CG-CD1 4.3Å; M885-L922 HydrophobicContact CG-CD2 3.74Å; M885-L922 HydrophobicContact SD-CD1 4.05Å; M885-L922 HydrophobicContact SD-CD2 3.89Å
886R90.7Very high90.7Very high157 Ų15752.5 Ų52.559%0.59228%0.278SS*.  trans-133.9162-179.8-62.8-175.3-179.8-165.10.2110.4V870 D889V870-R886 WeakPolarHBondContact CB-O 3.49Å; V870-R886 WeakPolarHBondContact CG1-O 3.23Å; R886-D889 PolarHBondContact N-OD2 3.02Å; R886-D889 PolarHBondContact O-N 3.4Å
887I91.4Very high91Very high73 Ų7350.5 Ų50.537%0.37426%0.264SS..THydrogen-bonded Turntrans-66.1139.6166.6-61178.8000108L871 L873 V929L871-I887 WeakPolarHBondContact O-CG2 3.46Å; L873-I887 HydrophobicContact CG-CG1 4.25Å; I887-V929 HydrophobicContact CG2-CG2 3.87Å
888G87.4Confident91.2Very high1 Ų154.4 Ų54.41%0.0129%0.287CS..THydrogen-bonded Turntrans89.6-12.2-176.100000115.5Y869 V870 E890 G925 S928Y869-G888 WeakPolarHBondContact CD1-O 3.27Å; V870-G888 PolarHBondContact O-N 3.39Å; G888-E890 PolarHBondContact O-N 3.46Å; G888-G925 WeakPolarHBondContact O-CA 3.43Å; G888-S928 WeakPolarHBondContact CA-O 3.41Å
889D93.9Very high91.3Very high0 Ų053.9 Ų53.90%028%0.283CS..  trans-65135.9177.7-69.4-24.9000111.7Y843 Y869 V870 R886 L922 K923 R924 G925Y843-D889 PolarHBondContact OH-OD2 3.49Å; Y869-D889 CarbonylContact C-O 3.56Å; Y869-D889 WeakPolarHBondContact CA-O 3.46Å; V870-D889 HydrophobicContact CG2-CB 4.25Å; V870-D889 PolarHBondContact N-O 3.14Å; R886-D889 PolarHBondContact N-OD2 3.02Å; R886-D889 PolarHBondContact O-N 3.4Å; D889-L922 HydrophobicContact CB-CD2 3.6Å; D889-K923 WeakPolarHBondContact CA-O 3.4Å; D889-R924 WeakPolarHBondContact OD1-CA 3.42Å; D889-R924 WeakPolarHBondContact OD1-CD 3.44Å; D889-R924 IonicContact OD1-NH1 3.27Å; D889-R924 PolarHBondContact OD1-NH1 3.14Å; D889-R924 IonicContact OD2-CZ 3.44Å; D889-R924 IonicContact OD2-NH1 2.78Å; D889-R924 PolarHBondContact OD2-NH1 3.12Å; D889-G925 PolarHBondContact OD1-N 2.95Å
890E93.6Very high91.2Very high19 Ų1961.1 Ų61.19%0.08932%0.315CS..EExtended strand (participates in β ladder)trans-86.4130.2-180-174.4-174.4172.200109.4L868 Y869 G888 L892 L922 K923L868-E890 CarbonylContact O-C 3.57Å; L868-E890 WeakPolarHBondContact O-CA 3.43Å; Y869-E890 HydrophobicContact CD1-CB 4.04Å; Y869-E890 HydrophobicContact CD1-CG 4.46Å; Y869-E890 HydrophobicContact CE1-CB 3.7Å; Y869-E890 HydrophobicContact CE1-CG 3.92Å; G888-E890 PolarHBondContact O-N 3.46Å; E890-L892 HydrophobicContact CG-CD2 4.06Å; E890-L892 WeakPolarHBondContact OE1-CD2 3.26Å; E890-L922 CarbonylContact O-C 3.44Å; E890-L922 WeakPolarHBondContact O-CA 3.4Å; E890-L922 WeakPolarHBondContact O-CB 3.47Å; E890-K923 HydrophobicContact CB-CB 4.29Å; E890-K923 PolarHBondContact N-O 3.5Å; E890-K923 PolarHBondContact O-N 3.22Å; E890-K923 VanDerWaalsContact OE2-CD 3.31Å; E890-K923 WeakPolarHBondContact OE2-CD 3.41Å; E890-K923 WeakPolarHBondContact OE2-CE 3.47Å; E890-K923 IonicContact OE2-NZ 3.94Å; E890-K923 PolarHBondContact OE2-NZ 2.97Å
891I94.9Very high90.9Very high0 Ų062.4 Ų62.40%033%0.325CS..EExtended strand (participates in β ladder)trans-97.6115178.8-49.3-170.4000109.2F856 L858 L868 V870 I894 T899 L920 L922F856-I891 HydrophobicContact CE2-CD1 4.03Å; L858-I891 HydrophobicContact CD1-CD1 3.58Å; L858-I891 HydrophobicContact CD1-CG1 4.41Å; L868-I891 HydrophobicContact CB-CB 4.22Å; L868-I891 PolarHBondContact O-N 3.01Å; V870-I891 HydrophobicContact CG2-CD1 4Å; V870-I891 HydrophobicContact CG2-CG1 4.05Å; I891-I894 HydrophobicContact CG2-CD1 4.45Å; I891-I894 HydrophobicContact CG2-CG1 3.83Å; I891-T899 HydrophobicContact CG2-CG2 4.27Å; I891-T899 WeakPolarHBondContact O-CB 3.2Å; I891-T899 WeakPolarHBondContact O-CG2 3.34Å; I891-T899 PolarHBondContact O-OG1 3.25Å; I891-L920 HydrophobicContact CD1-CD1 4.45Å; I891-L920 HydrophobicContact CG2-CD2 4.11Å; I891-L922 HydrophobicContact CG1-CD2 3.84Å; I891-L922 HydrophobicContact CG1-CG 4.22Å
892L94.3Very high91Very high38 Ų3855.6 Ų55.620%0.19930%0.3CS..EExtended strand (participates in β ladder)trans-101.4-26.8-173.7-64.6174.4000113.6F842 E890 T898 T899 F921 K923F842-L892 HydrophobicContact CD1-CD1 3.59Å; F842-L892 HydrophobicContact CE1-CD1 3.52Å; E890-L892 HydrophobicContact CG-CD2 4.06Å; E890-L892 WeakPolarHBondContact OE1-CD2 3.26Å; L892-T898 WeakPolarHBondContact O-CA 3.4Å; L892-T898 PolarHBondContact O-OG1 2.88Å; L892-T899 VanDerWaalsContact C-OG1 3.25Å; L892-T899 VanDerWaalsContact CA-OG1 3.22Å; L892-T899 WeakPolarHBondContact CA-OG1 3.31Å; L892-T899 PolarHBondContact O-N 2.77Å; L892-T899 PolarHBondContact O-OG1 2.81Å; L892-T899 VanDerWaalsContact O-OG1 3.08Å; L892-F921 HydrophobicContact CB-CD1 3.97Å; L892-F921 HydrophobicContact CD1-CD1 4.39Å; L892-F921 HydrophobicContact CD1-CE1 4.37Å; L892-F921 PolarHBondContact N-O 3.29Å; L892-K923 HydrophobicContact CD1-CB 3.72Å; L892-K923 HydrophobicContact CG-CB 4.42Å
893E95.4Very high91.1Very high69 Ų6959.6 Ų59.632%0.32231%0.313SS..EExtended strand (participates in β ladder)trans-142.6146.6170.9-51.9-180167.200111.5E897 L920 F921E893-E897 CarbonylContact C-O 3.35Å; E893-E897 VanDerWaalsContact CA-O 3.28Å; E893-E897 WeakPolarHBondContact CA-O 3.35Å; E893-L920 WeakPolarHBondContact O-CA 3.27Å; E893-F921 HydrophobicContact CB-CB 3.71Å; E893-F921 HydrophobicContact CG-CB 3.93Å; E893-F921 HydrophobicContact CG-CD1 4.12Å; E893-F921 HydrophobicContact CG-CG 4.45Å; E893-F921 PolarHBondContact N-O 3.11Å; E893-F921 PolarHBondContact O-N 2.74Å
894I95.6Very high91.4Very high0 Ų058.4 Ų58.40%029%0.29CS..EExtended strand (participates in β ladder)trans-124.8115.5172.3-57.6168.3000107.7L868 I891 G896 E897 T899 M902 A907 L910 I911 V918 L920L868-I894 HydrophobicContact CD1-CD1 4.15Å; I891-I894 HydrophobicContact CG2-CD1 4.45Å; I891-I894 HydrophobicContact CG2-CG1 3.83Å; I894-G896 PolarHBondContact O-N 3.2Å; I894-E897 PolarHBondContact N-O 3.3Å; I894-E897 PolarHBondContact O-N 3.23Å; I894-T899 HydrophobicContact CD1-CG2 3.9Å; I894-T899 HydrophobicContact CG1-CG2 3.81Å; I894-M902 HydrophobicContact CD1-SD 4.49Å; I894-A907 HydrophobicContact CD1-CB 3.68Å; I894-L910 HydrophobicContact CB-CB 4.18Å; I894-L910 HydrophobicContact CB-CD1 4.25Å; I894-L910 HydrophobicContact CG2-CB 3.58Å; I894-I911 HydrophobicContact CD1-CD1 4.2Å; I894-I911 HydrophobicContact CD1-CG1 4.17Å; I894-I911 HydrophobicContact CG2-CG1 3.8Å; I894-V918 HydrophobicContact CG2-CG2 4.07Å; I894-L920 HydrophobicContact CB-CD2 4.33Å; I894-L920 HydrophobicContact CG1-CD2 3.9Å; I894-L920 HydrophobicContact CG2-CD2 4.11Å
895N92.8Very high91.5Very high67 Ų6755.8 Ų55.836%0.35829%0.287SS..THydrogen-bonded Turntrans53.721-176.3-60-36.7000115L910 V918 R919N895-L910 PolarHBondContact ND2-O 3.25Å; N895-L910 VanDerWaalsContact ND2-O 3.12Å; N895-V918 WeakPolarHBondContact OD1-CA 3.09Å; N895-R919 PolarHBondContact N-O 2.82Å; N895-R919 PolarHBondContact OD1-N 3.24Å; N895-R919 PolarHBondContact OD1-O 3.43Å
896G88.1Confident91.5Very high54 Ų5459.7 Ų59.756%0.55730%0.301SS*.THydrogen-bonded Turntrans95.4-1.9-17700000115.2I894I894-G896 PolarHBondContact O-N 3.2Å
897E91.3Very high91.5Very high83 Ų8352.2 Ų52.239%0.38827%0.273SS..EExtended strand (participates in β ladder)trans-87125164.1-76.3-176.2-141.100109.6E893 I894 M902 R906 L910E893-E897 CarbonylContact C-O 3.35Å; E893-E897 VanDerWaalsContact CA-O 3.28Å; E893-E897 WeakPolarHBondContact CA-O 3.35Å; I894-E897 PolarHBondContact N-O 3.3Å; I894-E897 PolarHBondContact O-N 3.23Å; E897-M902 HydrophobicContact CB-CE 4.16Å; E897-R906 IonicContact OE1-CZ 2.71Å; E897-R906 IonicContact OE1-NH2 3.09Å; E897-R906 PolarHBondContact OE1-NH2 2.87Å; E897-R906 IonicContact OE2-CZ 2.8Å; E897-R906 IonicContact OE2-NE 3.32Å; E897-R906 PolarHBondContact OE2-NE 3.38Å; E897-R906 IonicContact OE2-NH2 3.68Å; E897-R906 PolarHBondContact OE2-NH2 2.87Å; E897-L910 HydrophobicContact CB-CD1 3.81Å; E897-L910 HydrophobicContact CG-CD1 4.41Å; E897-L910 HydrophobicContact CG-CD2 4.46Å; E897-L910 WeakPolarHBondContact OE1-CD2 3.25Å; E897-L910 WeakPolarHBondContact OE2-CD1 3.36Å
898T91.9Very high91.5Very high88 Ų8851 Ų5154%0.5427%0.267SS..EExtended strand (participates in β ladder)trans-67138.9176.2-1770000111.7L892 M902L892-T898 WeakPolarHBondContact O-CA 3.4Å; L892-T898 PolarHBondContact O-OG1 2.88Å; T898-M902 WeakPolarHBondContact O-CE 3.45Å
899T93.2Very high91.5Very high4 Ų454.1 Ų54.13%0.02528%0.281CS..  trans-86-8.4-17760.10000113.7L868 I891 L892 I894 N901 M902L868-T899 HydrophobicContact CD1-CG2 3.65Å; I891-T899 HydrophobicContact CG2-CG2 4.27Å; I891-T899 WeakPolarHBondContact O-CB 3.2Å; I891-T899 WeakPolarHBondContact O-CG2 3.34Å; I891-T899 PolarHBondContact O-OG1 3.25Å; L892-T899 VanDerWaalsContact C-OG1 3.25Å; L892-T899 VanDerWaalsContact CA-OG1 3.22Å; L892-T899 WeakPolarHBondContact CA-OG1 3.31Å; L892-T899 PolarHBondContact O-N 2.77Å; L892-T899 PolarHBondContact O-OG1 2.81Å; L892-T899 VanDerWaalsContact O-OG1 3.08Å; I894-T899 HydrophobicContact CD1-CG2 3.9Å; I894-T899 HydrophobicContact CG1-CG2 3.81Å; T899-N901 PolarHBondContact O-N 3.14Å; T899-M902 HydrophobicContact CG2-SD 4.39Å; T899-M902 WeakPolarHBondContact O-CB 3.41Å; T899-M902 PolarHBondContact O-N 3.37Å
900K89.2Confident91.3Very high152 Ų15254.7 Ų54.766%0.66128%0.284SS*.THydrogen-bonded Turntrans-59.9127.9179.9-171.8170.9-174.2171.60110.3M902K900-M902 PolarHBondContact O-N 3.03Å; K900-M902 VanDerWaalsContact O-N 3.16Å
901N82.9Confident91.2Very high112 Ų11254.5 Ų54.560%0.59928%0.284SS*.THydrogen-bonded Turntrans59.412-172.4-70.9-43.9000115.6R862 T899R862-N901 WeakPolarHBondContact CB-O 3.38Å; R862-N901 WeakPolarHBondContact CD-O 3.45Å; T899-N901 PolarHBondContact O-N 3.14Å
902M90.4Very high90.7Very high19 Ų1960.5 Ų60.59%0.09431%0.31CS..  trans-75.1142.2177.1-171.2179.2-77.400111.3R862 I894 E897 T898 T899 K900 R906 A907 L910R862-M902 WeakPolarHBondContact CB-O 3.29Å; R862-M902 PolarHBondContact N-O 2.77Å; I894-M902 HydrophobicContact CD1-SD 4.49Å; E897-M902 HydrophobicContact CB-CE 4.16Å; T898-M902 WeakPolarHBondContact O-CE 3.45Å; T899-M902 HydrophobicContact CG2-SD 4.39Å; T899-M902 WeakPolarHBondContact O-CB 3.41Å; T899-M902 PolarHBondContact O-N 3.37Å; K900-M902 PolarHBondContact O-N 3.03Å; K900-M902 VanDerWaalsContact O-N 3.16Å; M902-R906 HydrophobicContact CE-CG 4.35Å; M902-R906 HydrophobicContact CG-CB 3.89Å; M902-R906 HydrophobicContact CG-CG 3.78Å; M902-R906 HydrophobicContact SD-CB 4.49Å; M902-R906 HydrophobicContact SD-CG 4.06Å; M902-A907 HydrophobicContact CG-CB 4.5Å; M902-A907 HydrophobicContact SD-CB 3.8Å; M902-L910 HydrophobicContact CE-CD1 3.33Å; M902-L910 HydrophobicContact SD-CD1 3.74Å
903K90.8Very high90.1Very high120 Ų12064.1 Ų64.152%0.52233%0.329SS..  trans-73.6141.7170-70.3-172.9179.6-177.30111E863 S905 R906 A907E863-K903 WeakPolarHBondContact OE1-CB 3.31Å; E863-K903 WeakPolarHBondContact OE2-CA 3.42Å; K903-S905 WeakPolarHBondContact CB-OG 3.32Å; K903-S905 PolarHBondContact O-N 3.05Å; K903-R906 HydrophobicContact CB-CB 4.42Å; K903-R906 WeakPolarHBondContact O-CA 3.33Å; K903-R906 WeakPolarHBondContact O-CB 3.5Å; K903-R906 PolarHBondContact O-N 3.11Å; K903-A907 PolarHBondContact O-N 3.17Å
904H90.3Very high89.1Confident41 Ų4162.2 Ų62.219%0.1933%0.329CS..Hα-helixtrans-49.8-44.4173.3-173.190000111.6G860 E863 Y864 R906 A907 I908G860-H904 WeakPolarHBondContact O-CB 3.44Å; G860-H904 PolarHBondContact O-ND1 2.73Å; E863-H904 VanDerWaalsContact CD-N 3.26Å; E863-H904 PolarHBondContact OE1-N 3.32Å; E863-H904 PolarHBondContact OE2-N 3Å; Y864-H904 HydrophobicContact CD2-CB 4.44Å; Y864-H904 HydrophobicContact CE2-CB 3.9Å; H904-R906 VanDerWaalsContact C-N 3.33Å; H904-R906 PolarHBondContact O-N 3.08Å; H904-A907 WeakPolarHBondContact O-CB 3.4Å; H904-A907 PolarHBondContact O-N 3.41Å; H904-I908 WeakPolarHBondContact O-CG1 3.43Å; H904-I908 PolarHBondContact O-N 2.77Å
905S90.9Very high88.4Confident68 Ų6863.7 Ų63.748%0.47634%0.343SS..Hα-helixtrans-56.3-40.7174.943.90000113.6E863 K903 E909E863-S905 PolarHBondContact OE1-N 3.45Å; E863-S905 PolarHBondContact OE1-OG 2.96Å; K903-S905 WeakPolarHBondContact CB-OG 3.32Å; K903-S905 PolarHBondContact O-N 3.05Å; S905-E909 PolarHBondContact O-N 3.43Å; S905-E909 VanDerWaalsContact O-N 3.11Å
906R91.4Very high88.2Confident88 Ų8870.7 Ų70.733%0.33237%0.365SS..Hα-helixtrans-72.4-38.5175.117558.3179-173.5-2.3112.2E897 M902 K903 H904 I908 E909 L910E897-R906 IonicContact OE1-CZ 2.71Å; E897-R906 IonicContact OE1-NH2 3.09Å; E897-R906 PolarHBondContact OE1-NH2 2.87Å; E897-R906 IonicContact OE2-CZ 2.8Å; E897-R906 IonicContact OE2-NE 3.32Å; E897-R906 PolarHBondContact OE2-NE 3.38Å; E897-R906 IonicContact OE2-NH2 3.68Å; E897-R906 PolarHBondContact OE2-NH2 2.87Å; M902-R906 HydrophobicContact CE-CG 4.35Å; M902-R906 HydrophobicContact CG-CB 3.89Å; M902-R906 HydrophobicContact CG-CG 3.78Å; M902-R906 HydrophobicContact SD-CB 4.49Å; M902-R906 HydrophobicContact SD-CG 4.06Å; K903-R906 HydrophobicContact CB-CB 4.42Å; K903-R906 WeakPolarHBondContact O-CA 3.33Å; K903-R906 WeakPolarHBondContact O-CB 3.5Å; K903-R906 PolarHBondContact O-N 3.11Å; H904-R906 VanDerWaalsContact C-N 3.33Å; H904-R906 PolarHBondContact O-N 3.08Å; R906-I908 PolarHBondContact O-N 2.75Å; R906-E909 WeakPolarHBondContact CD-OE2 3.17Å; R906-E909 IonicContact CZ-OE2 2.73Å; R906-E909 IonicContact NH1-OE2 3.87Å; R906-E909 PolarHBondContact NH1-OE2 3.12Å; R906-E909 WeakPolarHBondContact O-CB 3.41Å; R906-E909 PolarHBondContact O-N 2.88Å; R906-E909 VanDerWaalsContact O-N 3.16Å; R906-L910 HydrophobicContact CG-CD1 4.48Å; R906-L910 WeakPolarHBondContact O-CG 3.32Å; R906-L910 PolarHBondContact O-N 3.36Å
907A90.9Very high88.2Confident0 Ų074.4 Ų74.40%036%0.362CS..Hα-helixtrans-61.3-44.9175.500000112.1L858 L868 I894 M902 K903 H904 E909 L910 I911L858-A907 HydrophobicContact CD2-CB 3.8Å; L868-A907 HydrophobicContact CD1-CB 3.4Å; L868-A907 HydrophobicContact CD2-CB 4.26Å; I894-A907 HydrophobicContact CD1-CB 3.68Å; M902-A907 HydrophobicContact CG-CB 4.5Å; M902-A907 HydrophobicContact SD-CB 3.8Å; K903-A907 PolarHBondContact O-N 3.17Å; H904-A907 WeakPolarHBondContact O-CB 3.4Å; H904-A907 PolarHBondContact O-N 3.41Å; A907-E909 VanDerWaalsContact C-N 3.3Å; A907-E909 PolarHBondContact O-N 2.85Å; A907-L910 PolarHBondContact O-N 2.8Å; A907-I911 WeakPolarHBondContact O-CG1 3.28Å; A907-I911 PolarHBondContact O-N 2.69Å
908I91.3Very high88.3Confident47 Ų4770.5 Ų70.524%0.24134%0.344CS..Hα-helixtrans-64.2-34.2174.3-66.6-64.6000111.8L858 H904 R906 K912L858-I908 HydrophobicContact CB-CD1 4.09Å; L858-I908 HydrophobicContact CD2-CD1 3.73Å; L858-I908 HydrophobicContact CD2-CG1 4.13Å; H904-I908 WeakPolarHBondContact O-CG1 3.43Å; H904-I908 PolarHBondContact O-N 2.77Å; R906-I908 PolarHBondContact O-N 2.75Å; I908-K912 HydrophobicContact CG2-CD 3.97Å; I908-K912 WeakPolarHBondContact O-CB 3.42Å; I908-K912 WeakPolarHBondContact O-CD 3.49Å; I908-K912 VanDerWaalsContact O-CG 3.24Å; I908-K912 WeakPolarHBondContact O-CG 3.49Å; I908-K912 PolarHBondContact O-N 2.77Å
909E88.7Confident88.5Confident67 Ų6772.4 Ų72.431%0.31334%0.341SS..Hα-helixtrans-64-47.9171.8177.6173.5-110.400111.9S905 R906 A907 I911 K912 N913S905-E909 PolarHBondContact O-N 3.43Å; S905-E909 VanDerWaalsContact O-N 3.11Å; R906-E909 WeakPolarHBondContact CD-OE2 3.17Å; R906-E909 IonicContact CZ-OE2 2.73Å; R906-E909 IonicContact NH1-OE2 3.87Å; R906-E909 PolarHBondContact NH1-OE2 3.12Å; R906-E909 WeakPolarHBondContact O-CB 3.41Å; R906-E909 PolarHBondContact O-N 2.88Å; R906-E909 VanDerWaalsContact O-N 3.16Å; A907-E909 VanDerWaalsContact C-N 3.3Å; A907-E909 PolarHBondContact O-N 2.85Å; E909-I911 PolarHBondContact O-N 2.95Å; E909-K912 PolarHBondContact O-N 3.2Å; E909-K912 VanDerWaalsContact O-N 3.1Å; E909-N913 VanDerWaalsContact CG-ND2 3.33Å; E909-N913 WeakPolarHBondContact CG-ND2 3.35Å; E909-N913 WeakPolarHBondContact O-CB 3.27Å; E909-N913 PolarHBondContact O-N 2.94Å; E909-N913 PolarHBondContact O-OD1 2.84Å
910L90.4Very high88.6Confident12 Ų1272.2 Ų72.26%0.06334%0.34CS..Hα-helixtrans-61.6-42.2179.2-71173.4000113.3I894 N895 E897 M902 R906 A907 K912 N913 G914I894-L910 HydrophobicContact CB-CB 4.18Å; I894-L910 HydrophobicContact CB-CD1 4.25Å; I894-L910 HydrophobicContact CG2-CB 3.58Å; N895-L910 PolarHBondContact ND2-O 3.25Å; N895-L910 VanDerWaalsContact ND2-O 3.12Å; E897-L910 HydrophobicContact CB-CD1 3.81Å; E897-L910 HydrophobicContact CG-CD1 4.41Å; E897-L910 HydrophobicContact CG-CD2 4.46Å; E897-L910 WeakPolarHBondContact OE1-CD2 3.25Å; E897-L910 WeakPolarHBondContact OE2-CD1 3.36Å; M902-L910 HydrophobicContact CE-CD1 3.33Å; M902-L910 HydrophobicContact SD-CD1 3.74Å; R906-L910 HydrophobicContact CG-CD1 4.48Å; R906-L910 WeakPolarHBondContact O-CG 3.32Å; R906-L910 PolarHBondContact O-N 3.36Å; A907-L910 PolarHBondContact O-N 2.8Å; L910-K912 VanDerWaalsContact C-N 3.28Å; L910-K912 PolarHBondContact O-N 2.76Å; L910-N913 PolarHBondContact O-N 2.76Å; L910-G914 PolarHBondContact O-N 3.15Å; L910-G914 VanDerWaalsContact O-N 3.09Å
911I90.1Very high88.9Confident15 Ų1568 Ų688%0.07732%0.321CS..Hα-helixtrans-61.4-38.7174.8-65.1163.6000110.5F854 F856 L858 I894 A907 E909 V918F854-I911 HydrophobicContact CD2-CG2 3.63Å; F854-I911 HydrophobicContact CE2-CG2 3.72Å; F854-I911 WeakPolarHBondContact CE2-O 3.17Å; F856-I911 HydrophobicContact CE2-CD1 4.18Å; F856-I911 HydrophobicContact CZ-CD1 3.92Å; F856-I911 HydrophobicContact CZ-CG1 4.48Å; F856-I911 HydrophobicContact CZ-CG2 4.39Å; L858-I911 HydrophobicContact CD2-CD1 4.09Å; I894-I911 HydrophobicContact CD1-CD1 4.2Å; I894-I911 HydrophobicContact CD1-CG1 4.17Å; I894-I911 HydrophobicContact CG2-CG1 3.8Å; A907-I911 WeakPolarHBondContact O-CG1 3.28Å; A907-I911 PolarHBondContact O-N 2.69Å; E909-I911 PolarHBondContact O-N 2.95Å; I911-V918 HydrophobicContact CG1-CG2 4.3Å
912K84.1Confident89.4Confident127 Ų12762.6 Ų62.655%0.55229%0.293SS*.Hα-helixtrans-74.5-40.7178.8-74.3170-179172.90112.7I908 E909 L910 G914 G915I908-K912 HydrophobicContact CG2-CD 3.97Å; I908-K912 WeakPolarHBondContact O-CB 3.42Å; I908-K912 WeakPolarHBondContact O-CD 3.49Å; I908-K912 VanDerWaalsContact O-CG 3.24Å; I908-K912 WeakPolarHBondContact O-CG 3.49Å; I908-K912 PolarHBondContact O-N 2.77Å; E909-K912 PolarHBondContact O-N 3.2Å; E909-K912 VanDerWaalsContact O-N 3.1Å; L910-K912 VanDerWaalsContact C-N 3.28Å; L910-K912 PolarHBondContact O-N 2.76Å; K912-G914 VanDerWaalsContact C-N 3.34Å; K912-G915 PolarHBondContact O-N 2.86Å; K912-G915 VanDerWaalsContact O-N 3.14Å
913N82.3Confident89.6Confident113 Ų11364 Ų6460%0.60430%0.298SS*.Hα-helixtrans-76.1-19.2-175.5-67.75.4000112.9E909 L910 G915E909-N913 VanDerWaalsContact CG-ND2 3.33Å; E909-N913 WeakPolarHBondContact CG-ND2 3.35Å; E909-N913 WeakPolarHBondContact O-CB 3.27Å; E909-N913 PolarHBondContact O-N 2.94Å; E909-N913 PolarHBondContact O-OD1 2.84Å; L910-N913 PolarHBondContact O-N 2.76Å; N913-G915 PolarHBondContact O-N 3.48Å; N913-G915 VanDerWaalsContact O-N 3.14Å
914G74.5Confident89.7Confident30 Ų3061.4 Ų61.431%0.30929%0.285SS..THydrogen-bonded Turntrans-61.5-11.3164.900000114.3L910 K912 R916 R917L910-G914 PolarHBondContact O-N 3.15Å; L910-G914 VanDerWaalsContact O-N 3.09Å; K912-G914 VanDerWaalsContact C-N 3.34Å; G914-R916 PolarHBondContact O-N 2.76Å; G914-R916 VanDerWaalsContact O-N 3.09Å; G914-R917 CarbonylContact C-O 3.55Å
915G81.8Confident89.4Confident30 Ų3060.6 Ų60.631%0.30929%0.288SS..THydrogen-bonded Turntrans76-100.4168.700000112.9R849 K912 N913R849-G915 WeakPolarHBondContact CD-O 3.01Å; R849-G915 PolarHBondContact NH1-O 2.69Å; K912-G915 PolarHBondContact O-N 2.86Å; K912-G915 VanDerWaalsContact O-N 3.14Å; N913-G915 PolarHBondContact O-N 3.48Å; N913-G915 VanDerWaalsContact O-N 3.14Å
916R87.4Confident88.8Confident215 Ų21564 Ų6481%0.81130%0.301SS*.THydrogen-bonded Turntrans-96.6-20.4-178.1-76.6-165.7-71.5-177.5-3.8114.4R849 G914R849-R916 WeakPolarHBondContact CB-O 3.31Å; R849-R916 PolarHBondContact N-O 3.47Å; G914-R916 PolarHBondContact O-N 2.76Å; G914-R916 VanDerWaalsContact O-N 3.09Å
917R88.5Confident87.9Confident132 Ų13262.1 Ų62.150%0.49831%0.309SS..EExtended strand (participates in β ladder)trans-128.7146.8177.7-83.5165.670.8172.6-1.4109.5E846 L847 E848 G914E846-R917 IonicContact OE2-CZ 3.6Å; E846-R917 IonicContact OE2-NE 3.75Å; E846-R917 IonicContact OE2-NH2 2.67Å; E846-R917 PolarHBondContact OE2-NH2 3.23Å; L847-R917 VanDerWaalsContact O-CA 3.32Å; L847-R917 WeakPolarHBondContact O-CA 3.4Å; E848-R917 HydrophobicContact CG-CG 4.01Å; G914-R917 CarbonylContact C-O 3.55Å
918V94.3Very high87.1Confident0 Ų065.1 Ų65.10%033%0.33CS..EExtended strand (participates in β ladder)trans-128.5129.7166.165.80000108.6E846 L847 F854 I894 N895 I911 L920E846-V918 WeakPolarHBondContact CA-O 3.43Å; L847-V918 HydrophobicContact CB-CG1 4Å; L847-V918 PolarHBondContact N-O 3.23Å; L847-V918 PolarHBondContact O-N 3.11Å; F854-V918 HydrophobicContact CD1-CG1 3.66Å; F854-V918 HydrophobicContact CD2-CG1 4Å; F854-V918 HydrophobicContact CE1-CB 4.09Å; F854-V918 HydrophobicContact CE1-CG1 3.68Å; F854-V918 HydrophobicContact CE2-CB 4.21Å; F854-V918 HydrophobicContact CE2-CG1 4.03Å; F854-V918 HydrophobicContact CG-CG1 3.82Å; F854-V918 HydrophobicContact CZ-CB 3.91Å; F854-V918 HydrophobicContact CZ-CG1 3.87Å; I894-V918 HydrophobicContact CG2-CG2 4.07Å; N895-V918 WeakPolarHBondContact OD1-CA 3.09Å; I911-V918 HydrophobicContact CG1-CG2 4.3Å; V918-L920 HydrophobicContact CG1-CD1 4.49Å; V918-L920 HydrophobicContact CG1-CG 4.38Å; V918-L920 HydrophobicContact CG2-CD2 3.7Å; V918-L920 HydrophobicContact CG2-CG 4.11Å
919R94.2Very high86.5Confident129 Ų12964.4 Ų64.449%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-97.3126.8169.4-179.9174.1168.8-174.7-5.3107.8T844 V845 E846 N895T844-R919 HydrophobicContact CG2-CG 3.71Å; V845-R919 WeakPolarHBondContact O-CA 3.36Å; E846-R919 HydrophobicContact CG-CB 4Å; E846-R919 HydrophobicContact CG-CG 3.95Å; N895-R919 PolarHBondContact N-O 2.82Å; N895-R919 PolarHBondContact OD1-N 3.24Å; N895-R919 PolarHBondContact OD1-O 3.43Å
920L95.9Very high85.8Confident0 Ų063.7 Ų63.70%033%0.329CS..EExtended strand (participates in β ladder)trans-121.8130.7179.2-57.9171.2000108.3T844 V845 L847 F856 M885 I891 E893 I894 V918 L922T844-L920 WeakPolarHBondContact CA-O 3.5Å; V845-L920 HydrophobicContact CG2-CB 3.9Å; V845-L920 HydrophobicContact CG2-CD1 4.16Å; V845-L920 HydrophobicContact CG2-CG 4.42Å; V845-L920 PolarHBondContact N-O 3.42Å; V845-L920 PolarHBondContact O-N 3.01Å; L847-L920 HydrophobicContact CD1-CD1 4.18Å; F856-L920 HydrophobicContact CE1-CD1 3.96Å; F856-L920 HydrophobicContact CE2-CD1 4.34Å; F856-L920 HydrophobicContact CZ-CD1 3.68Å; M885-L920 HydrophobicContact SD-CD1 3.95Å; I891-L920 HydrophobicContact CD1-CD1 4.45Å; I891-L920 HydrophobicContact CG2-CD2 4.11Å; E893-L920 WeakPolarHBondContact O-CA 3.27Å; I894-L920 HydrophobicContact CB-CD2 4.33Å; I894-L920 HydrophobicContact CG1-CD2 3.9Å; I894-L920 HydrophobicContact CG2-CD2 4.11Å; V918-L920 HydrophobicContact CG1-CD1 4.49Å; V918-L920 HydrophobicContact CG1-CG 4.38Å; V918-L920 HydrophobicContact CG2-CD2 3.7Å; V918-L920 HydrophobicContact CG2-CG 4.11Å; L920-L922 HydrophobicContact CB-CD1 3.55Å; L920-L922 HydrophobicContact CB-CG 4.39Å
921F95.3Very high84.6Confident62 Ų6271.4 Ų71.427%0.27237%0.365SS..EExtended strand (participates in β ladder)trans-95.6120.2164.1-169.9-124000107.4F842 L892 E893F842-F921 HydrophobicContact CB-CE1 4.41Å; F842-F921 HydrophobicContact CB-CE2 4.09Å; F842-F921 HydrophobicContact CB-CZ 3.66Å; F842-F921 HydrophobicContact CD1-CE1 4.29Å; F842-F921 HydrophobicContact CD1-CZ 4.34Å; F842-F921 HydrophobicContact CG-CZ 4.24Å; L892-F921 HydrophobicContact CB-CD1 3.97Å; L892-F921 HydrophobicContact CD1-CD1 4.39Å; L892-F921 HydrophobicContact CD1-CE1 4.37Å; L892-F921 PolarHBondContact N-O 3.29Å; E893-F921 HydrophobicContact CB-CB 3.71Å; E893-F921 HydrophobicContact CG-CB 3.93Å; E893-F921 HydrophobicContact CG-CD1 4.12Å; E893-F921 HydrophobicContact CG-CG 4.45Å; E893-F921 PolarHBondContact N-O 3.11Å; E893-F921 PolarHBondContact O-N 2.74Å
922L94.9Very high82.9Confident0 Ų074.9 Ų74.90%038%0.377CS..EExtended strand (participates in β ladder)trans-120.1156.7-178.8-63.6101.1000111.4F842 Y843 V845 V870 M885 D889 E890 I891 L920F842-L922 CarbonylContact C-O 3.55Å; F842-L922 WeakPolarHBondContact CA-O 3.38Å; Y843-L922 HydrophobicContact CD1-CB 4.35Å; Y843-L922 HydrophobicContact CE1-CB 3.72Å; Y843-L922 HydrophobicContact CE2-CD1 4.41Å; Y843-L922 PolarHBondContact N-O 2.81Å; Y843-L922 PolarHBondContact O-N 3.27Å; V845-L922 HydrophobicContact CG1-CD1 4.5Å; V845-L922 HydrophobicContact CG2-CD1 3.67Å; V870-L922 HydrophobicContact CG2-CD2 3.78Å; M885-L922 HydrophobicContact CG-CD1 4.3Å; M885-L922 HydrophobicContact CG-CD2 3.74Å; M885-L922 HydrophobicContact SD-CD1 4.05Å; M885-L922 HydrophobicContact SD-CD2 3.89Å; D889-L922 HydrophobicContact CB-CD2 3.6Å; E890-L922 CarbonylContact O-C 3.44Å; E890-L922 WeakPolarHBondContact O-CA 3.4Å; E890-L922 WeakPolarHBondContact O-CB 3.47Å; I891-L922 HydrophobicContact CG1-CD2 3.84Å; I891-L922 HydrophobicContact CG1-CG 4.22Å; L920-L922 HydrophobicContact CB-CD1 3.55Å; L920-L922 HydrophobicContact CB-CG 4.39Å
923K93.1Very high81Confident47 Ų4772.7 Ų72.720%0.20438%0.383CS..EExtended strand (participates in β ladder)trans-109.8138.8162163.5178.6148.6-150.80108.6Q840 D841 F842 D889 E890 L892 G925Q840-K923 HydrophobicContact CB-CD 4.23Å; Q840-K923 HydrophobicContact CB-CG 4.4Å; Q840-K923 HydrophobicContact CG-CD 4.47Å; Q840-K923 VanDerWaalsContact OE1-CD 3.31Å; D841-K923 WeakPolarHBondContact O-CA 3.37Å; F842-K923 HydrophobicContact CD1-CB 3.77Å; F842-K923 HydrophobicContact CD1-CD 4.48Å; F842-K923 HydrophobicContact CD1-CG 4.33Å; F842-K923 HydrophobicContact CE1-CB 3.87Å; F842-K923 HydrophobicContact CE1-CD 3.78Å; F842-K923 HydrophobicContact CE1-CG 4.11Å; F842-K923 HydrophobicContact CZ-CD 4.31Å; D889-K923 WeakPolarHBondContact CA-O 3.4Å; E890-K923 HydrophobicContact CB-CB 4.29Å; E890-K923 PolarHBondContact N-O 3.5Å; E890-K923 PolarHBondContact O-N 3.22Å; E890-K923 VanDerWaalsContact OE2-CD 3.31Å; E890-K923 WeakPolarHBondContact OE2-CD 3.41Å; E890-K923 WeakPolarHBondContact OE2-CE 3.47Å; E890-K923 IonicContact OE2-NZ 3.94Å; E890-K923 PolarHBondContact OE2-NZ 2.97Å; L892-K923 HydrophobicContact CD1-CB 3.72Å; L892-K923 HydrophobicContact CG-CB 4.42Å; K923-G925 PolarHBondContact O-N 2.84Å
924R93.1Very high78.7Confident67 Ų6775.8 Ų75.825%0.25340%0.396SS..  trans-60.7124.8178.2-171.762.559.5-151.63.4110.7D841 Y843 K884 D889D841-R924 HydrophobicContact CB-CB 3.42Å; D841-R924 VanDerWaalsContact CB-CB 3.42Å; D841-R924 HydrophobicContact CB-CG 4.17Å; D841-R924 PolarHBondContact O-N 3.21Å; Y843-R924 VanDerWaalsContact CE1-CZ 3.43Å; Y843-R924 VanDerWaalsContact CE1-NH2 3.35Å; Y843-R924 PolarHBondContact OH-NH1 2.93Å; K884-R924 PolarHBondContact O-NH1 3.23Å; K884-R924 PolarHBondContact O-NH2 3.21Å; D889-R924 WeakPolarHBondContact OD1-CA 3.42Å; D889-R924 WeakPolarHBondContact OD1-CD 3.44Å; D889-R924 IonicContact OD1-NH1 3.27Å; D889-R924 PolarHBondContact OD1-NH1 3.14Å; D889-R924 IonicContact OD2-CZ 3.44Å; D889-R924 IonicContact OD2-NH1 2.78Å; D889-R924 PolarHBondContact OD2-NH1 3.12Å
925G84Confident76.9Confident24 Ų2478.1 Ų78.125%0.24740%0.401CS..  trans-83.4166.2170.200000112.2G888 D889 K923 G927G888-G925 WeakPolarHBondContact O-CA 3.43Å; D889-G925 PolarHBondContact OD1-N 2.95Å; K923-G925 PolarHBondContact O-N 2.84Å; G925-G927 PolarHBondContact O-N 2.81Å
926D79.7Confident74.5Confident139 Ų13980.7 Ų80.774%0.74341%0.412SS*.  trans-77-1.5172.464.8-1.9000113.4S928D926-S928 WeakPolarHBondContact OD1-CA 3.3Å; D926-S928 VanDerWaalsContact OD1-CB 3.24Å; D926-S928 WeakPolarHBondContact OD1-CB 3.49Å; D926-S928 PolarHBondContact OD1-N 3.03Å; D926-S928 PolarHBondContact OD1-OG 3.18Å; D926-S928 PolarHBondContact OD2-OG 2.8Å
927G71.6Confident72Confident49 Ų4975.6 Ų75.651%0.50541%0.407SS..SBendtrans96.6-11.5-174.300000113.7G925G925-G927 PolarHBondContact O-N 2.81Å
928S74Confident69.5Low62 Ų6275.7 Ų75.743%0.43442%0.417SS..  trans-86.8159.4169.683.30000111G888 D926G888-S928 WeakPolarHBondContact CA-O 3.41Å; D926-S928 WeakPolarHBondContact OD1-CA 3.3Å; D926-S928 VanDerWaalsContact OD1-CB 3.24Å; D926-S928 WeakPolarHBondContact OD1-CB 3.49Å; D926-S928 PolarHBondContact OD1-N 3.03Å; D926-S928 PolarHBondContact OD1-OG 3.18Å; D926-S928 PolarHBondContact OD2-OG 2.8Å
929V78.6Confident66.9Low33 Ų3381.4 Ų81.420%0.245%0.446CS..  trans-125124.3170.3-179.20000106.1R859 V870 L871 I887 E931R859-V929 HydrophobicContact CB-CG1 4.4Å; R859-V929 HydrophobicContact CG-CG1 4.38Å; V870-V929 WeakPolarHBondContact O-CG2 3.37Å; L871-V929 HydrophobicContact CD1-CB 4.44Å; L871-V929 HydrophobicContact CD1-CG1 4.18Å; L871-V929 HydrophobicContact CD1-CG2 4.45Å; I887-V929 HydrophobicContact CG2-CG2 3.87Å; V929-E931 PolarHBondContact O-N 2.87Å
930P73.9Confident64.1Low52 Ų5279 Ų7934%0.33845%0.454SS..  trans-59.1138.8-174.2-23.632.1000112.8R859 M866 Y869R859-P930 PolarHBondContact NE-O 3.15Å; M866-P930 HydrophobicContact CE-CB 3.76Å; M866-P930 HydrophobicContact CE-CG 4.34Å; Y869-P930 HydrophobicContact CE1-CG 4.39Å; Y869-P930 HydrophobicContact CE2-CG 4.23Å
931E66Low61.1Low174 Ų17483.3 Ų83.381%0.81349%0.49SS*.  trans-73.9157.9172.1-168.3147.3-141.300110.1V929 A933V929-E931 PolarHBondContact O-N 2.87Å; E931-A933 PolarHBondContact O-N 3.1Å; E931-A933 VanDerWaalsContact O-N 3.11Å
932Y54Low58.1Low87 Ų8786 Ų8634%0.34152%0.515SS..  trans-71.2111.1180-74.7-45.5000109.1Y864 M866 M934Y864-Y932 VanDerWaalsContact CB-CE1 3.48Å; Y864-Y932 AromaticContact CD1-CE1 3.82Å; Y864-Y932 HydrophobicContact CD1-CE1 3.82Å; Y864-Y932 AromaticContact CD1-CZ 3.81Å; Y864-Y932 HydrophobicContact CD2-CE1 4.06Å; Y864-Y932 HydrophobicContact CG-CD1 4.34Å; Y864-Y932 AromaticContact CG-CE1 3.5Å; Y864-Y932 HydrophobicContact CG-CE1 3.5Å; Y864-Y932 AromaticContact CG-CZ 3.84Å; M866-Y932 HydrophobicContact SD-CD1 3.59Å; M866-Y932 VanDerWaalsContact SD-CD1 3.59Å; M866-Y932 HydrophobicContact SD-CE1 4.08Å; Y932-M934 PolarHBondContact O-N 2.78Å
933A43Very low55.2Low81 Ų8192.2 Ų92.267%0.66955%0.545SS*.  trans-54.7126.2160.900000108.3E931 I935E931-A933 PolarHBondContact O-N 3.1Å; E931-A933 VanDerWaalsContact O-N 3.11Å; A933-I935 PolarHBondContact O-N 2.9Å
934M35.3Very low52.3Low178 Ų178100 Ų10088%0.87757%0.573SS**  trans-67.9107.5-172.1-78.5-167.3169.800111.5Y932Y932-M934 PolarHBondContact O-N 2.78Å
935I35.4Very low49.3Very low80 Ų80104.1 Ų104.141%0.4160%0.601SS.*  trans-76.2138.4168.9-60.9176.1000108.5N865 A933N865-I935 HydrophobicContact CB-CD1 3.98Å; A933-I935 PolarHBondContact O-N 2.9Å
936P32.2Very low46.8Very low84 Ų84110.2 Ų110.255%0.54562%0.623SS.*  trans-57.2158.6-179.2-28.636.5000115.1N938P936-N938 VanDerWaalsContact C-N 3.25Å; P936-N938 PolarHBondContact O-N 3.38Å; P936-N938 VanDerWaalsContact O-N 3.1Å
937P35.3Very low44.5Very low108 Ų108111.8 Ų111.870%0.70162%0.623SS**G310 helixtrans-64.1-21.6-168.8-24.635.3000115.9I939 A940P937-I939 PolarHBondContact O-N 2.87Å; P937-A940 PolarHBondContact O-N 3.21Å; P937-A940 VanDerWaalsContact O-N 3.13Å
938N36.6Very low42.7Very low134 Ų134117.5 Ų117.572%0.71764%0.641SS**G310 helixtrans-66.6-8-169.765.5-14.9000115.5P936P936-N938 VanDerWaalsContact C-N 3.25Å; P936-N938 PolarHBondContact O-N 3.38Å; P936-N938 VanDerWaalsContact O-N 3.1Å
939I39.3Very low40.7Very low119 Ų119118.7 Ų118.761%0.6166%0.663SS**G310 helixtrans-111.6-13.7176.9-64.9172.3000112.2P937 A941P937-I939 PolarHBondContact O-N 2.87Å; I939-A941 VanDerWaalsContact C-N 3.3Å; I939-A941 PolarHBondContact O-N 3.01Å
940A36Very low38.2Very low78 Ų78126.4 Ų126.465%0.64570%0.697SS**G310 helixtrans-73.9-14.2-173.400000114.9P937 C942P937-A940 PolarHBondContact O-N 3.21Å; P937-A940 VanDerWaalsContact O-N 3.13Å; A940-C942 VanDerWaalsContact C-N 3.27Å; A940-C942 PolarHBondContact O-N 3.34Å
941A32.5Very low36.1Very low92 Ų92127.8 Ų127.876%0.7671%0.713SS**G310 helixtrans-65.3-24.5-174.200000114.4I939 M943I939-A941 VanDerWaalsContact C-N 3.3Å; I939-A941 PolarHBondContact O-N 3.01Å; A941-M943 VanDerWaalsContact C-N 3.28Å; A941-M943 PolarHBondContact O-N 3.05Å
942C31.1Very low34.1Very low119 Ų119126.2 Ų126.280%0.80472%0.72SS**G310 helixtrans-80.87.2-170.5-63.10000115.5A940A940-C942 VanDerWaalsContact C-N 3.27Å; A940-C942 PolarHBondContact O-N 3.34Å
943M34Very low32.9Very low129 Ų129130.2 Ų130.264%0.63574%0.739SS**  trans-134.860.3-176.5-72.3-161.1171.100115A941A941-M943 VanDerWaalsContact C-N 3.28Å; A941-M943 PolarHBondContact O-N 3.05Å
944R32.6Very low32.1Very low210 Ų210136.2 Ų136.279%0.79275%0.746SS**  trans-132.2130.2147.6-85.1-163.3-73.9150.4-6.1111.1E946R944-E946 IonicContact NH1-OE1 3.15Å; R944-E946 PolarHBondContact NH1-OE1 2.95Å
945N29.9Very low31.8Very low154 Ų154135.1 Ų135.182%0.82474%0.743SS**  trans-125.2105.4171.1-178.7-6.4000107.3
946E32.2Very low31.4Very low152 Ų152139.7 Ų139.771%0.7177%0.765SS**  trans-99.398.2-179.8-70.8-177.4-17300110.2R944R944-E946 IonicContact NH1-OE1 3.15Å; R944-E946 PolarHBondContact NH1-OE1 2.95Å
947K31.8Very low31Very low172 Ų172138.7 Ų138.775%0.74877%0.769SS**  trans-149.1128.3158.6-115.7170.5-171.81760111.3
948L31.9Very low30.8Very low169 Ų169141.2 Ų141.289%0.88577%0.772SS**  trans57.9100.9-171.3-83.968.1000114.4
949G32.4Very low30.2Very low88 Ų88141.1 Ų141.191%0.90777%0.771SS**  trans-87.1122.1147.200000109.1
950E26.1Very low29.5Very low194 Ų194143.3 Ų143.391%0.90778%0.779SS**  trans-142.6144.6151.8-158.7166.4-131.300108.1
951A30.7Very low29Very low82 Ų82145.3 Ų145.368%0.67878%0.783SS**  trans-97.3117.6-162.800000112.7F953A951-F953 PolarHBondContact O-N 2.87Å
952C24.4Very low28.7Very low141 Ų141147.6 Ų147.695%0.95379%0.788SS**  trans-75.370.4160.4-70.80000110.5
953F28.6Very low28.6Very low170 Ų170147.6 Ų147.675%0.74678%0.784SS**  trans-88162.9161-117.9-88.3000110.2A951A951-F953 PolarHBondContact O-N 2.87Å
954Y26.8Very low28.3Very low207 Ų207147.6 Ų147.681%0.81279%0.794SS**  trans74.2140.1-176.6-54.7-79.2000115.8
955L27.6Very low28Very low156 Ų156142.4 Ų142.482%0.81780%0.796SS**  cis-110.7126.40.9-76.684.2000112.1G957L955-G957 PolarHBondContact O-N 2.73Å
956M28.1Very low28Very low176 Ų176139.7 Ų139.787%0.86780%0.795SS**  trans-79.595135.3-82.5-136-63.300107.3
957G22.8Very low27.9Very low62 Ų62139.4 Ų139.464%0.63980%0.804SS**  trans-94.8113164.700000108.6L955L955-G957 PolarHBondContact O-N 2.73Å
958H31.8Very low27.8Very low162 Ų162135.1 Ų135.175%0.7580%0.8SS**  trans-66.9133.2173.8-85.3-121.2000110.7
959N23.7Very low27.6Very low132 Ų132133.7 Ų133.771%0.70680%0.799SS**  -169.4119.3123-99.4-39.9000114.3
960Q24.8Very low27.6Very low164 Ų164134 Ų13477%0.76679%0.793SS**  trans32.2123.7132.9-56.217785.100119.6
961T24.6Very low27.9Very low120 Ų120130.5 Ų130.574%0.73679%0.787SS**  178.1117.194.4-68.60000112.6
962T27.9Very low28.5Very low140 Ų140131.8 Ų131.886%0.85979%0.788SS**  trans-144.7118.7146.9-54.30000108.6
963T27Very low29.2Very low120 Ų120130.9 Ų130.974%0.73678%0.78SS**  trans-88145.1177.648.30000112.5
964P27.8Very low29.4Very low128 Ų128128.7 Ų128.783%0.83178%0.781SS**  -112.2173.5129.934.6-32.1000111.7
965A27.1Very low29.7Very low101 Ų101127.6 Ų127.684%0.83578%0.783SS**  trans-95.4153.8-160.500000116.5
966A30.6Very low30.2Very low97 Ų97128.3 Ų128.380%0.80278%0.779SS**  trans-29.7142.7175.300000120.9
967T29.8Very low30.4Very low147 Ų147126.6 Ų126.690%0.90278%0.778SS**  trans-145.5156.4139.8-27.60000112.7
968A28.6Very low30.9Very low82 Ų82131.7 Ų131.768%0.67878%0.783SS**  trans-43137.5-169.700000122
969T29.5Very low31.2Very low139 Ų139134.6 Ų134.685%0.85379%0.787SS**  29.4117.5116.6-41.50000120.9
970A30.6Very low31.8Very low94 Ų94141.4 Ų141.478%0.77781%0.811SS**  159.1142.5122.900000114.8
971P33.2Very low32.2Very low121 Ų121140.3 Ų140.379%0.78681%0.813SS**  trans-123-176.9163.241.7-31.3000112.7
972P43.3Very low32.6Very low108 Ų108141.4 Ų141.470%0.70182%0.817SS**  -107.1-152.9-51.839.1-25.7000109.3
973P40Very low32.8Very low122 Ų122141.4 Ų141.479%0.79282%0.815SS**  -139.2157.7118.437.6-27.4000114.9
974V31.6Very low33.2Very low124 Ų124142.7 Ų142.775%0.75282%0.82SS**  trans-117.9122.4176.2179.10000109.5
975H34Very low33.5Very low184 Ų184143.6 Ų143.685%0.85282%0.819SS**  trans-88.1118.8174.4-103.8-82.6000112.4
976K37.3Very low33.9Very low172 Ų172146.5 Ų146.575%0.74882%0.818SS**  trans-81.7163.8147.5-62.6178.6-179.7174.60106.7
977V33Very low34.2Very low140 Ų140150 Ų15085%0.84882%0.819SS**  -153.6163.666.3166.20000111.7
978F32.8Very low34.5Very low168 Ų168150.2 Ų150.274%0.73781%0.813SS**  trans-53.1150.5-179.3-86.3-120000116.9
979R37.7Very low35Very low223 Ų223155.9 Ų155.984%0.84282%0.824SS**  trans18.6131.4138.1-69.3-179.8170.9163.2-3.9118.5
980K37.6Very low35.5Very low276 Ų276157.5 Ų157.5100%1.282%0.821SS**  -126.40101.2-159.4169.5-174.6178.80109.9

Retrieved 980 of 980 residues in 1066.9 ms (Link to these results)

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