A0A061IRA8_CRIGR Loading...

Na/Pi cotransporter C-terminal-associated protein 1

AlphaFold DB , UniProt , Accession A0A061IRA8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pdzk1, Length 519 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.3Very low71.9Confident217 Ų21788.3 Ų88.3100%1.06948%0.479SS*.  0125.40-69.4-173.9-16500107.2
2A31.6Very low73.6Confident94 Ų9481.1 Ų81.178%0.77744%0.44SS*.  trans-47.9140.6-17800000111.7T4A2-T4 PolarHBondContact O-N 2.72Å
3S46.1Very low74.9Confident87 Ų8781.4 Ų81.461%0.60845%0.452SS*.  trans-47.1107.8178.452.80000110F5S3-F5 PolarHBondContact O-N 3.43Å
4T64.4Low75.8Confident87 Ų8778.6 Ų78.653%0.53443%0.433SS..SBendtrans-660.6178.3220000113.8A2A2-T4 PolarHBondContact O-N 2.72Å
5F76.8Confident76.1Confident14 Ų1482.7 Ų82.76%0.06145%0.448CS..  trans-129.5119.4-176.8-52.4-73000107.8S3 P7 L87 S91 K94 A95 K98 V100 L105S3-F5 PolarHBondContact O-N 3.43Å; F5-P7 WeakPolarHBondContact O-CD 3.49Å; F5-L87 HydrophobicContact CB-CD1 4.26Å; F5-S91 VanDerWaalsContact CD1-O 3.28Å; F5-S91 WeakPolarHBondContact CD1-O 3.24Å; F5-S91 WeakPolarHBondContact CE1-O 3.21Å; F5-K94 HydrophobicContact CE1-CB 3.94Å; F5-K94 HydrophobicContact CE1-CD 3.98Å; F5-K94 HydrophobicContact CE1-CG 3.84Å; F5-K94 HydrophobicContact CZ-CD 4.38Å; F5-K94 HydrophobicContact CZ-CG 4.05Å; F5-A95 HydrophobicContact CD1-CB 4.03Å; F5-A95 HydrophobicContact CE1-CB 3.73Å; F5-A95 HydrophobicContact CE2-CB 4.28Å; F5-A95 HydrophobicContact CG-CB 4.39Å; F5-A95 HydrophobicContact CZ-CB 3.85Å; F5-K98 HydrophobicContact CZ-CD 4.29Å; F5-V100 HydrophobicContact CE2-CG1 4.48Å; F5-V100 HydrophobicContact CE2-CG2 3.83Å; F5-V100 HydrophobicContact CZ-CG2 4.31Å; F5-L105 HydrophobicContact CB-CD2 3.43Å; F5-L105 VanDerWaalsContact CB-CD2 3.43Å; F5-L105 HydrophobicContact CB-CG 4.28Å; F5-L105 HydrophobicContact CG-CD2 4.15Å
6N82.6Confident76.3Confident108 Ų10888.4 Ų88.458%0.57847%0.47SS*.  trans-112.585.7-175.7-66.1-43.4000108.7
7P89.3Confident76Confident31 Ų3187.9 Ų87.920%0.20149%0.492CS..  trans-64.5145.7174.228.6-34.1000110.1F5 L56 L85 V86 L87 L105F5-P7 WeakPolarHBondContact O-CD 3.49Å; P7-L56 HydrophobicContact CB-CD1 4.48Å; P7-L85 HydrophobicContact CB-CD1 4.04Å; P7-L85 HydrophobicContact CB-CD2 4.43Å; P7-L85 HydrophobicContact CB-CG 4.12Å; P7-V86 CarbonylContact C-O 3.58Å; P7-V86 VanDerWaalsContact CA-O 3.24Å; P7-V86 WeakPolarHBondContact CA-O 3.47Å; P7-L87 HydrophobicContact CB-CD1 4.4Å; P7-L105 HydrophobicContact CG-CB 4.26Å
8R91.7Very high76.2Confident79 Ų7988.7 Ų88.730%0.29849%0.491SS..EExtended strand (participates in β ladder)trans-112.4133.3-179.1-61.3-173.4-62.5-85.7-0.7109.7D53 V86R8-D53 IonicContact CZ-OD1 2.69Å; R8-D53 IonicContact CZ-OD2 3.14Å; R8-D53 IonicContact NH2-OD1 3.2Å; R8-D53 PolarHBondContact NH2-OD1 3.27Å; R8-D53 IonicContact NH2-OD2 2.86Å; R8-D53 PolarHBondContact NH2-OD2 3.49Å; R8-V86 HydrophobicContact CB-CG2 4.18Å; R8-V86 PolarHBondContact N-O 2.95Å; R8-V86 PolarHBondContact O-N 2.64Å
9E92.6Very high76.7Confident117 Ų11788.7 Ų88.755%0.54749%0.49SS..EExtended strand (participates in β ladder)trans-91.8114.6172.4-174.4175.396.300109.4K11 T83 L84 L85E9-K11 WeakPolarHBondContact OE1-CE 3.41Å; E9-K11 IonicContact OE1-NZ 3.45Å; E9-K11 PolarHBondContact OE1-NZ 3.38Å; E9-K11 VanDerWaalsContact OE1-NZ 3.12Å; E9-T83 HydrophobicContact CG-CG2 3.53Å; E9-L84 CarbonylContact C-O 3.49Å; E9-L84 WeakPolarHBondContact CA-O 3.44Å; E9-L85 HydrophobicContact CB-CD1 4.22Å
10C91.5Very high77.2Confident2 Ų285.3 Ų85.31%0.01447%0.47CS..EExtended strand (participates in β ladder)trans-105.2116.1178-65.10000109.1L12 A47 L49 L84C10-L12 HydrophobicContact CB-CD1 3.84Å; C10-L12 WeakPolarHBondContact O-CD1 3.12Å; C10-A47 HydrophobicContact CB-CB 4.19Å; C10-A47 PolarHBondContact SG-O 2.73Å; C10-L49 HydrophobicContact CB-CD1 4.31Å; C10-L84 HydrophobicContact CB-CB 4.49Å; C10-L84 PolarHBondContact N-O 3.39Å; C10-L84 PolarHBondContact O-N 3.15Å
11K92.9Very high77.7Confident135 Ų13581.3 Ų81.359%0.58745%0.448SS*.EExtended strand (participates in β ladder)trans-98.8109.2175.2-66-178.1-174.5173.90109.6E9 A47 T83E9-K11 WeakPolarHBondContact OE1-CE 3.41Å; E9-K11 IonicContact OE1-NZ 3.45Å; E9-K11 PolarHBondContact OE1-NZ 3.38Å; E9-K11 VanDerWaalsContact OE1-NZ 3.12Å; K11-A47 WeakPolarHBondContact O-CB 3.43Å; K11-T83 HydrophobicContact CG-CG2 4.02Å
12L92.1Very high80.6Confident2 Ų272.3 Ų72.31%0.0140%0.403CS..EExtended strand (participates in β ladder)trans-101.9132.6-178.7-65.276.3000109.5C10 Y20 F22 A44 A47 S81 V82 L84C10-L12 HydrophobicContact CB-CD1 3.84Å; C10-L12 WeakPolarHBondContact O-CD1 3.12Å; L12-Y20 HydrophobicContact CB-CD1 3.68Å; L12-Y20 HydrophobicContact CB-CE1 3.91Å; L12-Y20 HydrophobicContact CD2-CD1 4.05Å; L12-Y20 HydrophobicContact CD2-CG 4.29Å; L12-F22 HydrophobicContact CD2-CD1 3.92Å; L12-F22 HydrophobicContact CD2-CE1 3.68Å; L12-A44 HydrophobicContact CD2-CB 3.84Å; L12-A47 HydrophobicContact CD1-CB 3.85Å; L12-A47 HydrophobicContact CG-CB 3.73Å; L12-S81 WeakPolarHBondContact O-CA 3.36Å; L12-V82 HydrophobicContact CB-CG1 3.85Å; L12-V82 PolarHBondContact N-O 3.34Å; L12-V82 PolarHBondContact O-N 3.31Å; L12-L84 HydrophobicContact CD1-CD1 3.9Å; L12-L84 HydrophobicContact CD1-CG 4.06Å; L12-L84 HydrophobicContact CD2-CD1 4.43Å
13S90.8Very high82.9Confident85 Ų8572.2 Ų72.259%0.59439%0.385SS*.EExtended strand (participates in β ladder)trans-132.1136.1173.359.70000110.7P43 N80S13-P43 VanDerWaalsContact O-CB 3.31Å; S13-P43 WeakPolarHBondContact O-CB 3.39Å; S13-P43 WeakPolarHBondContact O-CG 3.47Å; S13-N80 WeakPolarHBondContact CA-O 3.25Å
14K88.1Confident84.8Confident43 Ų4369.3 Ų69.319%0.18736%0.363CS..  trans-132.8159.4-178.271.6-176.8-170.272.30111.5Q18 Y20 P43 G79 N80K14-Q18 HydrophobicContact CB-CB 4.49Å; K14-Q18 WeakPolarHBondContact CD-O 3.47Å; K14-Q18 VanDerWaalsContact CE-O 3.28Å; K14-Q18 WeakPolarHBondContact CE-O 3.42Å; K14-Q18 PolarHBondContact NZ-O 3.36Å; K14-Y20 HydrophobicContact CB-CD1 4.16Å; K14-Y20 HydrophobicContact CB-CE1 4.07Å; K14-Y20 HydrophobicContact CD-CD1 3.81Å; K14-Y20 HydrophobicContact CD-CD2 3.83Å; K14-Y20 HydrophobicContact CD-CE1 3.67Å; K14-Y20 HydrophobicContact CD-CE2 3.67Å; K14-Y20 HydrophobicContact CD-CG 3.89Å; K14-Y20 HydrophobicContact CG-CD1 4.17Å; K14-Y20 HydrophobicContact CG-CE1 3.75Å; K14-Y20 HydrophobicContact CG-CE2 4.5Å; K14-P43 HydrophobicContact CB-CG 4.09Å; K14-G79 WeakPolarHBondContact CE-O 3.25Å; K14-N80 PolarHBondContact N-O 3.28Å; K14-N80 WeakPolarHBondContact O-CB 3.38Å
15Q80.2Confident85.4Confident139 Ų13971 Ų7165%0.6536%0.359SS*.  trans-81.4160.5169.8-63.7-163.1-24.700111.4G17 Q18Q15-G17 PolarHBondContact O-N 3.19Å; Q15-Q18 HydrophobicContact CB-CG 4.42Å; Q15-Q18 PolarHBondContact O-N 3.33Å; Q15-Q18 VanDerWaalsContact O-N 3.11Å
16E78Confident85.5Confident174 Ų17475.1 Ų75.181%0.81338%0.381SS*.THydrogen-bonded Turntrans-59.3132.2177.6-167.9165.5-163.100110.3Q18E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 2.89Å
17G71.4Confident85Confident81 Ų8172.8 Ų72.884%0.83537%0.367SS*.THydrogen-bonded Turntrans82.7-9.7-174.800000116.6Q15Q15-G17 PolarHBondContact O-N 3.19Å
18Q79.9Confident83.2Confident101 Ų10179.4 Ų79.447%0.47239%0.392SS..  trans-87.9160.4174.1-65.9-177.9-10.900111.9K14 Q15 E16K14-Q18 HydrophobicContact CB-CB 4.49Å; K14-Q18 WeakPolarHBondContact CD-O 3.47Å; K14-Q18 VanDerWaalsContact CE-O 3.28Å; K14-Q18 WeakPolarHBondContact CE-O 3.42Å; K14-Q18 PolarHBondContact NZ-O 3.36Å; Q15-Q18 HydrophobicContact CB-CG 4.42Å; Q15-Q18 PolarHBondContact O-N 3.33Å; Q15-Q18 VanDerWaalsContact O-N 3.11Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 2.89Å
19N85.6Confident81.8Confident90 Ų9082 Ų8248%0.48141%0.412SS..  trans-92.2168.2169.463.9-3.4000110.4G21 E39N19-G21 VanDerWaalsContact C-N 3.31Å; N19-E39 PolarHBondContact ND2-OE1 3.36Å; N19-E39 PolarHBondContact ND2-OE2 3Å
20Y87.8Confident80.6Confident20 Ų2078.3 Ų78.38%0.07840%0.397CS..  trans-80.8-13.3173.9-73.4-70.2000113L12 K14 F22 P43 A44 V75 G79 S81 V82L12-Y20 HydrophobicContact CB-CD1 3.68Å; L12-Y20 HydrophobicContact CB-CE1 3.91Å; L12-Y20 HydrophobicContact CD2-CD1 4.05Å; L12-Y20 HydrophobicContact CD2-CG 4.29Å; K14-Y20 HydrophobicContact CB-CD1 4.16Å; K14-Y20 HydrophobicContact CB-CE1 4.07Å; K14-Y20 HydrophobicContact CD-CD1 3.81Å; K14-Y20 HydrophobicContact CD-CD2 3.83Å; K14-Y20 HydrophobicContact CD-CE1 3.67Å; K14-Y20 HydrophobicContact CD-CE2 3.67Å; K14-Y20 HydrophobicContact CD-CG 3.89Å; K14-Y20 HydrophobicContact CG-CD1 4.17Å; K14-Y20 HydrophobicContact CG-CE1 3.75Å; K14-Y20 HydrophobicContact CG-CE2 4.5Å; Y20-F22 HydrophobicContact CG-CE1 4.25Å; Y20-P43 HydrophobicContact CD1-CB 4.36Å; Y20-A44 WeakPolarHBondContact O-CB 3.45Å; Y20-A44 PolarHBondContact O-N 3.31Å; Y20-V75 HydrophobicContact CD2-CG1 4.2Å; Y20-V75 HydrophobicContact CE2-CG1 4.25Å; Y20-G79 PolarHBondContact OH-O 3.28Å; Y20-S81 PolarHBondContact OH-N 2.77Å; Y20-S81 VanDerWaalsContact OH-N 3.08Å; Y20-V82 HydrophobicContact CD1-CG1 4.2Å; Y20-V82 HydrophobicContact CD2-CG1 4.44Å; Y20-V82 HydrophobicContact CE1-CG1 3.73Å; Y20-V82 HydrophobicContact CE2-CG1 4.03Å
21G86.6Confident79.8Confident1 Ų183.1 Ų83.11%0.0142%0.423CS..SBendtrans75.633.4177.100000115.3N19 I38 E39N19-G21 VanDerWaalsContact C-N 3.31Å; G21-I38 WeakPolarHBondContact O-CA 3.39Å; G21-E39 WeakPolarHBondContact CA-OE2 3.46Å; G21-E39 PolarHBondContact O-N 3.05Å
22F92.3Very high79.3Confident29 Ų2977.4 Ų77.413%0.12740%0.402CS..  trans-141.5159.2168.474.1-83.4000110.3L12 Y20 L24 V35 V37 A44 L49 V75 L84L12-F22 HydrophobicContact CD2-CD1 3.92Å; L12-F22 HydrophobicContact CD2-CE1 3.68Å; Y20-F22 HydrophobicContact CG-CE1 4.25Å; F22-L24 HydrophobicContact CE2-CB 4.41Å; F22-L24 HydrophobicContact CE2-CD1 4.5Å; F22-V35 HydrophobicContact CB-CG1 4.04Å; F22-V35 HydrophobicContact CD2-CG1 4.07Å; F22-V35 HydrophobicContact CD2-CG2 4.46Å; F22-V35 HydrophobicContact CG-CG1 4.38Å; F22-V37 WeakPolarHBondContact CA-O 3.19Å; F22-A44 HydrophobicContact CB-CB 3.95Å; F22-A44 HydrophobicContact CD1-CB 3.87Å; F22-A44 HydrophobicContact CG-CB 4.32Å; F22-L49 HydrophobicContact CB-CD2 3.94Å; F22-L49 HydrophobicContact CD1-CD2 3.97Å; F22-L49 HydrophobicContact CD2-CD2 4.05Å; F22-L49 HydrophobicContact CE1-CD2 4.48Å; F22-L49 HydrophobicContact CG-CD2 3.71Å; F22-V75 HydrophobicContact CZ-CG1 4.35Å; F22-L84 HydrophobicContact CE1-CD1 4.34Å; F22-L84 HydrophobicContact CZ-CD1 3.96Å
23F80.3Confident79.1Confident91 Ų9177.5 Ų77.540%0.39940%0.403SS..EExtended strand (participates in β ladder)trans-109.5134.9171.6-66.7-97.8000110.2V35 R36 V37F23-V35 WeakPolarHBondContact O-CA 2.98Å; F23-R36 WeakPolarHBondContact CA-O 3.23Å; F23-R36 WeakPolarHBondContact CB-O 3.27Å; F23-R36 PolarHBondContact N-O 2.76Å; F23-R36 PolarHBondContact O-N 2.75Å; F23-V37 HydrophobicContact CD2-CB 3.7Å; F23-V37 HydrophobicContact CD2-CG1 3.91Å; F23-V37 HydrophobicContact CE2-CB 4.25Å; F23-V37 HydrophobicContact CE2-CG1 3.93Å
24L85.7Confident79Confident26 Ų2673.5 Ų73.514%0.13637%0.374CS..EExtended strand (participates in β ladder)trans-94.2132.1167.6-161.473.4000108.5F22 H33 L34 V55 V71 V72F22-L24 HydrophobicContact CE2-CB 4.41Å; F22-L24 HydrophobicContact CE2-CD1 4.5Å; L24-H33 HydrophobicContact CD1-CB 3.94Å; L24-H33 HydrophobicContact CD2-CB 4.31Å; L24-H33 HydrophobicContact CG-CB 4.24Å; L24-L34 CarbonylContact C-O 3.53Å; L24-L34 WeakPolarHBondContact CA-O 3.47Å; L24-V55 HydrophobicContact CD1-CG2 3.66Å; L24-V71 HydrophobicContact CD2-CB 4.15Å; L24-V71 HydrophobicContact CD2-CG1 3.55Å; L24-V72 HydrophobicContact CD2-CG2 4.08Å
25R77.9Confident79.1Confident124 Ų12471.4 Ų71.447%0.46837%0.365SS..EExtended strand (participates in β ladder)trans-139.7155.9-178.9-64.8-170.8178-167.3-1.1111.8L34R25-L34 PolarHBondContact N-O 2.81Å; R25-L34 WeakPolarHBondContact O-CB 3.19Å; R25-L34 PolarHBondContact O-N 2.97Å
26I77.6Confident79.3Confident99 Ų9967.9 Ų67.951%0.50835%0.346SS..  trans-105.9130.3159.1-65.5-167.2000107.2H68I26-H68 HydrophobicContact CD1-CB 3.53Å; I26-H68 HydrophobicContact CG1-CB 4.02Å
27E73.8Confident79.4Confident60 Ų6063.2 Ų63.228%0.2833%0.329SS..  trans-106.9147.5174.2-75.2174.8-161.400109D29 T30 L34 R36E27-D29 PolarHBondContact O-N 3.11Å; E27-T30 PolarHBondContact O-N 3.42Å; E27-L34 HydrophobicContact CB-CD1 4.48Å; E27-L34 HydrophobicContact CB-CD2 4.12Å; E27-L34 VanDerWaalsContact CD-CD2 3.44Å; E27-L34 HydrophobicContact CG-CD2 3.94Å; E27-L34 WeakPolarHBondContact OE2-CD2 3.43Å; E27-R36 IonicContact OE1-CZ 2.75Å; E27-R36 IonicContact OE1-NE 3.83Å; E27-R36 PolarHBondContact OE1-NE 2.83Å; E27-R36 IonicContact OE1-NH2 3.8Å; E27-R36 PolarHBondContact OE1-NH2 3.5Å; E27-R36 IonicContact OE2-CZ 3.9Å; E27-R36 IonicContact OE2-NE 2.81Å; E27-R36 IonicContact OE2-NH2 3.38Å; E27-R36 PolarHBondContact OE2-NH2 3.45Å
28K50.7Low80.3Confident169 Ų16961.3 Ų61.374%0.73530%0.299SS*.THydrogen-bonded Turntrans-62.6138177.5-164.1-172.3170.6-177.30109.2T30K28-T30 PolarHBondContact O-N 3.41Å; K28-T30 PolarHBondContact O-OG1 3.08Å
29D61.3Low80.6Confident134 Ų13459.9 Ų59.972%0.71729%0.293SS*.THydrogen-bonded Turntrans63.120.7177.5-43.9-48.3000114.2E27E27-D29 PolarHBondContact O-N 3.11Å
30T68.8Low80.7Confident39 Ų3964.9 Ų64.924%0.23931%0.31CS..  trans-130.1118178.4-51.50000111E27 K28 L34 R54E27-T30 PolarHBondContact O-N 3.42Å; K28-T30 PolarHBondContact O-N 3.41Å; K28-T30 PolarHBondContact O-OG1 3.08Å; T30-L34 HydrophobicContact CG2-CD1 4.12Å; T30-L34 HydrophobicContact CG2-CD2 4.06Å; T30-L34 HydrophobicContact CG2-CG 4.45Å; T30-R54 VanDerWaalsContact CG2-NH2 3.29Å
31D73.9Confident80.6Confident104 Ų10466 Ų6656%0.55633%0.328SS*.  trans-71.8149.5179.8-65.9-32.3000112.8Y92D31-Y92 HydrophobicContact CB-CE1 3.87Å; D31-Y92 VanDerWaalsContact O-CE1 3.28Å; D31-Y92 WeakPolarHBondContact O-CE1 3.28Å
32G82Confident80.8Confident14 Ų1466.3 Ų66.314%0.14433%0.33CS..SBendtrans84.3-177.917600000114.8L34 Y92G32-L34 WeakPolarHBondContact O-CD1 3.2Å; G32-Y92 WeakPolarHBondContact CA-OH 3.21Å; G32-Y92 PolarHBondContact N-OH 3.29Å
33H87.9Confident80.7Confident5 Ų566 Ų662%0.02333%0.331CS..PPolyproline II helixtrans-99.6116.9179.1-56.3-61.6000111.6L24 R54 V55 V63 E66 H68 V71L24-H33 HydrophobicContact CD1-CB 3.94Å; L24-H33 HydrophobicContact CD2-CB 4.31Å; L24-H33 HydrophobicContact CG-CB 4.24Å; H33-R54 WeakPolarHBondContact O-CA 3.47Å; H33-V55 HydrophobicContact CB-CB 4.4Å; H33-V55 PolarHBondContact O-N 2.84Å; H33-V63 PolarHBondContact CD2-O 3.31Å; H33-V63 PolarHBondContact NE2-O 2.98Å; H33-E66 PolarHBondContact CE1-O 3.29Å; H33-E66 PolarHBondContact NE2-O 3.13Å; H33-H68 AromaticContact ND1-ND1 3.79Å; H33-V71 WeakPolarHBondContact NE2-CG2 3.08Å
34L88.6Confident81.2Confident0 Ų061.7 Ų61.70%031%0.312CS..EExtended strand (participates in β ladder)trans-90.3132.3-170.9-67.181.7000111.8L24 R25 E27 T30 G32 R36 R54L24-L34 CarbonylContact C-O 3.53Å; L24-L34 WeakPolarHBondContact CA-O 3.47Å; R25-L34 PolarHBondContact N-O 2.81Å; R25-L34 WeakPolarHBondContact O-CB 3.19Å; R25-L34 PolarHBondContact O-N 2.97Å; E27-L34 HydrophobicContact CB-CD1 4.48Å; E27-L34 HydrophobicContact CB-CD2 4.12Å; E27-L34 VanDerWaalsContact CD-CD2 3.44Å; E27-L34 HydrophobicContact CG-CD2 3.94Å; E27-L34 WeakPolarHBondContact OE2-CD2 3.43Å; T30-L34 HydrophobicContact CG2-CD1 4.12Å; T30-L34 HydrophobicContact CG2-CD2 4.06Å; T30-L34 HydrophobicContact CG2-CG 4.45Å; G32-L34 WeakPolarHBondContact O-CD1 3.2Å; L34-R36 HydrophobicContact CB-CG 4.43Å; L34-R54 VanDerWaalsContact CD2-CZ 3.41Å; L34-R54 VanDerWaalsContact CD2-NH2 3.3Å; L34-R54 VanDerWaalsContact CG-CZ 3.41Å
35V90.3Very high81.5Confident0 Ų064.7 Ų64.70%033%0.325CS..EExtended strand (participates in β ladder)trans-82.6124.7162.1-178.80000108.8F22 F23 I38 L49 G52 D53 V55F22-V35 HydrophobicContact CB-CG1 4.04Å; F22-V35 HydrophobicContact CD2-CG1 4.07Å; F22-V35 HydrophobicContact CD2-CG2 4.46Å; F22-V35 HydrophobicContact CG-CG1 4.38Å; F23-V35 WeakPolarHBondContact O-CA 2.98Å; V35-I38 HydrophobicContact CG1-CD1 4.12Å; V35-I38 HydrophobicContact CG1-CG1 4.2Å; V35-L49 HydrophobicContact CB-CD2 4.38Å; V35-L49 HydrophobicContact CB-CG 4.49Å; V35-L49 HydrophobicContact CG1-CD2 3.51Å; V35-L49 HydrophobicContact CG1-CG 3.83Å; V35-L49 HydrophobicContact CG2-CD1 4.11Å; V35-L49 HydrophobicContact CG2-CD2 4Å; V35-L49 HydrophobicContact CG2-CG 4.18Å; V35-G52 PolarHBondContact O-N 3.02Å; V35-D53 HydrophobicContact CB-CB 4.24Å; V35-D53 HydrophobicContact CG2-CB 4.22Å; V35-D53 PolarHBondContact N-O 2.7Å; V35-V55 HydrophobicContact CG2-CG2 3.78Å
36R85.6Confident82.1Confident64 Ų6466.7 Ų66.724%0.24234%0.337CS..EExtended strand (participates in β ladder)trans-132.7154.2174.6-69.3-62.2-165.1179.42.7111.1F23 E27 L34 D51F23-R36 WeakPolarHBondContact CA-O 3.23Å; F23-R36 WeakPolarHBondContact CB-O 3.27Å; F23-R36 PolarHBondContact N-O 2.76Å; F23-R36 PolarHBondContact O-N 2.75Å; E27-R36 IonicContact OE1-CZ 2.75Å; E27-R36 IonicContact OE1-NE 3.83Å; E27-R36 PolarHBondContact OE1-NE 2.83Å; E27-R36 IonicContact OE1-NH2 3.8Å; E27-R36 PolarHBondContact OE1-NH2 3.5Å; E27-R36 IonicContact OE2-CZ 3.9Å; E27-R36 IonicContact OE2-NE 2.81Å; E27-R36 IonicContact OE2-NH2 3.38Å; E27-R36 PolarHBondContact OE2-NH2 3.45Å; L34-R36 HydrophobicContact CB-CG 4.43Å; R36-D51 VanDerWaalsContact CA-OD1 3.23Å; R36-D51 WeakPolarHBondContact CA-OD1 3.37Å; R36-D51 WeakPolarHBondContact CD-OD2 3.49Å; R36-D51 IonicContact CZ-OD2 3.02Å; R36-D51 IonicContact NH1-OD2 3.58Å; R36-D51 PolarHBondContact NH1-OD2 3.42Å
37V79.4Confident82.7Confident76 Ų7663 Ų6346%0.46132%0.322SS..  trans54.685.1172-177.20000111.1F22 F23 D51F22-V37 WeakPolarHBondContact CA-O 3.19Å; F23-V37 HydrophobicContact CD2-CB 3.7Å; F23-V37 HydrophobicContact CD2-CG1 3.91Å; F23-V37 HydrophobicContact CE2-CB 4.25Å; F23-V37 HydrophobicContact CE2-CG1 3.93Å; V37-D51 PolarHBondContact N-OD1 2.95Å
38I90.6Very high83.4Confident41 Ų4161.9 Ų61.921%0.2133%0.326CS..PPolyproline II helixtrans-91.9120.2176.2-58.3-170.6000109.2G21 V35 A44 E45 L49 L50G21-I38 WeakPolarHBondContact O-CA 3.39Å; V35-I38 HydrophobicContact CG1-CD1 4.12Å; V35-I38 HydrophobicContact CG1-CG1 4.2Å; I38-A44 HydrophobicContact CG2-CB 4.33Å; I38-E45 HydrophobicContact CG2-CB 3.78Å; I38-E45 HydrophobicContact CG2-CG 4.44Å; I38-L49 HydrophobicContact CD1-CB 4.06Å; I38-L49 HydrophobicContact CD1-CG 4.21Å; I38-L49 WeakPolarHBondContact CD1-O 3.28Å; I38-L50 VanDerWaalsContact CD1-CA 3.4Å
39E86.3Confident85.4Confident72 Ų7254 Ų5434%0.33629%0.292SS..PPolyproline II helixtrans-73.2131.9179.8-68.9175.7-178.800110.4N19 G21 G41 S42N19-E39 PolarHBondContact ND2-OE1 3.36Å; N19-E39 PolarHBondContact ND2-OE2 3Å; G21-E39 WeakPolarHBondContact CA-OE2 3.46Å; G21-E39 PolarHBondContact O-N 3.05Å; E39-G41 PolarHBondContact O-N 3.34Å; E39-S42 WeakPolarHBondContact O-CB 3.38Å; E39-S42 PolarHBondContact O-N 3.5Å; E39-S42 PolarHBondContact O-OG 2.93Å
40K87Confident86.8Confident195 Ų19552.1 Ų52.185%0.84828%0.282SS*.THydrogen-bonded Turntrans-65130179.5-170.2178.8-177.7179.60111S42K40-S42 VanDerWaalsContact C-N 3.28Å
41G85.4Confident87.8Confident43 Ų4354.3 Ų54.344%0.44329%0.292SS..THydrogen-bonded Turntrans80.80.8-177.400000114.9E39 E45 K46E39-G41 PolarHBondContact O-N 3.34Å; G41-E45 PolarHBondContact N-OE2 2.92Å; G41-K46 VanDerWaalsContact O-CE 3.25Å; G41-K46 WeakPolarHBondContact O-CE 3.31Å; G41-K46 PolarHBondContact O-NZ 3.27Å
42S91.1Very high88.3Confident8 Ų850 Ų506%0.05627%0.271CS..SBendtrans-72.4164-177.968.20000113.8E39 K40 A44 E45 K46E39-S42 WeakPolarHBondContact O-CB 3.38Å; E39-S42 PolarHBondContact O-N 3.5Å; E39-S42 PolarHBondContact O-OG 2.93Å; K40-S42 VanDerWaalsContact C-N 3.28Å; S42-A44 PolarHBondContact O-N 3.11Å; S42-A44 PolarHBondContact OG-N 2.71Å; S42-E45 PolarHBondContact O-N 2.85Å; S42-E45 PolarHBondContact OG-N 3.08Å; S42-K46 WeakPolarHBondContact O-CG 3.17Å; S42-K46 PolarHBondContact O-N 2.97Å; S42-K46 VanDerWaalsContact O-N 3.15Å
43P91.2Very high88.9Confident23 Ų2349.5 Ų49.515%0.14927%0.266CS..Hα-helixtrans-53.8-37.5169-29.537.9000114.1S13 K14 Y20 A47S13-P43 VanDerWaalsContact O-CB 3.31Å; S13-P43 WeakPolarHBondContact O-CB 3.39Å; S13-P43 WeakPolarHBondContact O-CG 3.47Å; K14-P43 HydrophobicContact CB-CG 4.09Å; Y20-P43 HydrophobicContact CD1-CB 4.36Å; P43-A47 VanDerWaalsContact O-CB 3.27Å; P43-A47 WeakPolarHBondContact O-CB 3.46Å; P43-A47 PolarHBondContact O-N 2.84Å
44A91.3Very high89.1Confident0 Ų049.8 Ų49.80%027%0.266CS..Hα-helixtrans-64.9-46.6178.800000112.9L12 Y20 F22 I38 S42 K46 A47 G48 L49L12-A44 HydrophobicContact CD2-CB 3.84Å; Y20-A44 WeakPolarHBondContact O-CB 3.45Å; Y20-A44 PolarHBondContact O-N 3.31Å; F22-A44 HydrophobicContact CB-CB 3.95Å; F22-A44 HydrophobicContact CD1-CB 3.87Å; F22-A44 HydrophobicContact CG-CB 4.32Å; I38-A44 HydrophobicContact CG2-CB 4.33Å; S42-A44 PolarHBondContact O-N 3.11Å; S42-A44 PolarHBondContact OG-N 2.71Å; A44-K46 PolarHBondContact O-N 2.75Å; A44-A47 PolarHBondContact O-N 3.25Å; A44-G48 PolarHBondContact O-N 3.17Å; A44-L49 HydrophobicContact CB-CB 4.27Å; A44-L49 HydrophobicContact CB-CD2 3.95Å; A44-L49 VanDerWaalsContact O-CB 3.27Å; A44-L49 WeakPolarHBondContact O-CB 3.48Å; A44-L49 PolarHBondContact O-N 3.46Å; A44-L49 VanDerWaalsContact O-N 3.11Å
45E91.1Very high89.3Confident88 Ų8849.9 Ų49.941%0.41127%0.267SS..Hα-helixtrans-62.5-44.6177.6-170-175.3-128.900110.8I38 G41 S42 A47 G48I38-E45 HydrophobicContact CG2-CB 3.78Å; I38-E45 HydrophobicContact CG2-CG 4.44Å; G41-E45 PolarHBondContact N-OE2 2.92Å; S42-E45 PolarHBondContact O-N 2.85Å; S42-E45 PolarHBondContact OG-N 3.08Å; E45-A47 VanDerWaalsContact C-N 3.27Å; E45-A47 PolarHBondContact O-N 3.25Å; E45-G48 PolarHBondContact O-N 2.86Å
46K89.5Confident89.3Confident166 Ų16649.9 Ų49.972%0.72227%0.267SS*.Hα-helixtrans-64.3-30.5178.4-69.4174.9-175.2168.10113.1G41 S42 A44 G48G41-K46 VanDerWaalsContact O-CE 3.25Å; G41-K46 WeakPolarHBondContact O-CE 3.31Å; G41-K46 PolarHBondContact O-NZ 3.27Å; S42-K46 WeakPolarHBondContact O-CG 3.17Å; S42-K46 PolarHBondContact O-N 2.97Å; S42-K46 VanDerWaalsContact O-N 3.15Å; A44-K46 PolarHBondContact O-N 2.75Å; K46-G48 PolarHBondContact O-N 3.2Å
47A90.4Very high89.6Confident22 Ų2249 Ų4918%0.18226%0.264CS..THydrogen-bonded Turntrans-79.2-2.7176.100000113.5C10 K11 L12 P43 A44 E45C10-A47 HydrophobicContact CB-CB 4.19Å; C10-A47 PolarHBondContact SG-O 2.73Å; K11-A47 WeakPolarHBondContact O-CB 3.43Å; L12-A47 HydrophobicContact CD1-CB 3.85Å; L12-A47 HydrophobicContact CG-CB 3.73Å; P43-A47 VanDerWaalsContact O-CB 3.27Å; P43-A47 WeakPolarHBondContact O-CB 3.46Å; P43-A47 PolarHBondContact O-N 2.84Å; A44-A47 PolarHBondContact O-N 3.25Å; E45-A47 VanDerWaalsContact C-N 3.27Å; E45-A47 PolarHBondContact O-N 3.25Å
48G89.6Confident90.2Very high36 Ų3645.5 Ų45.537%0.37124%0.242SC..THydrogen-bonded Turntrans79.720.2178.600000114.5A44 E45 K46A44-G48 PolarHBondContact O-N 3.17Å; E45-G48 PolarHBondContact O-N 2.86Å; K46-G48 PolarHBondContact O-N 3.2Å
49L93.3Very high90Very high3 Ų347.4 Ų47.42%0.01625%0.253CS..  trans-70.1140.1172.1-15969.3000109.1C10 F22 V35 I38 A44 L84 V86C10-L49 HydrophobicContact CB-CD1 4.31Å; F22-L49 HydrophobicContact CB-CD2 3.94Å; F22-L49 HydrophobicContact CD1-CD2 3.97Å; F22-L49 HydrophobicContact CD2-CD2 4.05Å; F22-L49 HydrophobicContact CE1-CD2 4.48Å; F22-L49 HydrophobicContact CG-CD2 3.71Å; V35-L49 HydrophobicContact CB-CD2 4.38Å; V35-L49 HydrophobicContact CB-CG 4.49Å; V35-L49 HydrophobicContact CG1-CD2 3.51Å; V35-L49 HydrophobicContact CG1-CG 3.83Å; V35-L49 HydrophobicContact CG2-CD1 4.11Å; V35-L49 HydrophobicContact CG2-CD2 4Å; V35-L49 HydrophobicContact CG2-CG 4.18Å; I38-L49 HydrophobicContact CD1-CB 4.06Å; I38-L49 HydrophobicContact CD1-CG 4.21Å; I38-L49 WeakPolarHBondContact CD1-O 3.28Å; A44-L49 HydrophobicContact CB-CB 4.27Å; A44-L49 HydrophobicContact CB-CD2 3.95Å; A44-L49 VanDerWaalsContact O-CB 3.27Å; A44-L49 WeakPolarHBondContact O-CB 3.48Å; A44-L49 PolarHBondContact O-N 3.46Å; A44-L49 VanDerWaalsContact O-N 3.11Å; L49-L84 HydrophobicContact CD1-CD1 4.3Å; L49-L84 HydrophobicContact CD2-CD1 4.41Å; L49-V86 HydrophobicContact CD1-CB 4.45Å; L49-V86 HydrophobicContact CD1-CG1 3.67Å; L49-V86 HydrophobicContact CD1-CG2 4.16Å
50L90.2Very high89.6Confident96 Ų9646.4 Ų46.450%0.50326%0.262SS..  trans-120.5148.6179.8-60.4177.7000112.1I38 G52 D53I38-L50 VanDerWaalsContact CD1-CA 3.4Å; L50-G52 PolarHBondContact O-N 3.1Å; L50-D53 PolarHBondContact N-OD2 2.92Å; L50-D53 VanDerWaalsContact O-CB 3.31Å; L50-D53 WeakPolarHBondContact O-CB 3.31Å; L50-D53 PolarHBondContact O-N 2.8Å; L50-D53 VanDerWaalsContact O-N 3.1Å
51D88.9Confident89.5Confident84 Ų8440.7 Ų40.745%0.44924%0.243SC..THydrogen-bonded Turntrans-62.2129171.7-171.898000109.1R36 V37R36-D51 VanDerWaalsContact CA-OD1 3.23Å; R36-D51 WeakPolarHBondContact CA-OD1 3.37Å; R36-D51 WeakPolarHBondContact CD-OD2 3.49Å; R36-D51 IonicContact CZ-OD2 3.02Å; R36-D51 IonicContact NH1-OD2 3.58Å; R36-D51 PolarHBondContact NH1-OD2 3.42Å; V37-D51 PolarHBondContact N-OD1 2.95Å
52G85.3Confident89.6Confident13 Ų1340.2 Ų40.213%0.13423%0.229CC..THydrogen-bonded Turntrans90.45.7-174.500000114.4V35 L50 R54 G89V35-G52 PolarHBondContact O-N 3.02Å; L50-G52 PolarHBondContact O-N 3.1Å; G52-R54 VanDerWaalsContact CA-NH1 3.27Å; G52-R54 PolarHBondContact O-NH1 3.35Å; G52-G89 WeakPolarHBondContact O-CA 3.42Å; G52-G89 PolarHBondContact O-N 3.4Å; G52-G89 VanDerWaalsContact O-N 3.17Å
53D93.3Very high89.4Confident4 Ų439.9 Ų39.92%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-71.2149.3169.5-78.5-14.8000111.8R8 V35 L50 V86R8-D53 IonicContact CZ-OD1 2.69Å; R8-D53 IonicContact CZ-OD2 3.14Å; R8-D53 IonicContact NH2-OD1 3.2Å; R8-D53 PolarHBondContact NH2-OD1 3.27Å; R8-D53 IonicContact NH2-OD2 2.86Å; R8-D53 PolarHBondContact NH2-OD2 3.49Å; V35-D53 HydrophobicContact CB-CB 4.24Å; V35-D53 HydrophobicContact CG2-CB 4.22Å; V35-D53 PolarHBondContact N-O 2.7Å; L50-D53 PolarHBondContact N-OD2 2.92Å; L50-D53 VanDerWaalsContact O-CB 3.31Å; L50-D53 WeakPolarHBondContact O-CB 3.31Å; L50-D53 PolarHBondContact O-N 2.8Å; L50-D53 VanDerWaalsContact O-N 3.1Å; D53-V86 HydrophobicContact CB-CB 4.09Å; D53-V86 HydrophobicContact CB-CG2 4.26Å
54R92.7Very high89.2Confident11 Ų1139.6 Ų39.64%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-108.4125.5175.8-85.339.3168.1175.1-3.3108.9T30 H33 L34 G52 L56 V86 L87 Y92T30-R54 VanDerWaalsContact CG2-NH2 3.29Å; H33-R54 WeakPolarHBondContact O-CA 3.47Å; L34-R54 VanDerWaalsContact CD2-CZ 3.41Å; L34-R54 VanDerWaalsContact CD2-NH2 3.3Å; L34-R54 VanDerWaalsContact CG-CZ 3.41Å; G52-R54 VanDerWaalsContact CA-NH1 3.27Å; G52-R54 PolarHBondContact O-NH1 3.35Å; R54-L56 PolarHBondContact O-N 3.1Å; R54-V86 CarbonylContact O-C 3.44Å; R54-V86 WeakPolarHBondContact O-CA 3.42Å; R54-L87 PolarHBondContact N-O 2.94Å; R54-L87 PolarHBondContact O-N 2.63Å; R54-Y92 HydrophobicContact CB-CD1 4.49Å; R54-Y92 HydrophobicContact CB-CD2 3.58Å; R54-Y92 HydrophobicContact CB-CE2 4Å; R54-Y92 HydrophobicContact CB-CG 3.85Å; R54-Y92 HydrophobicContact CG-CD1 3.8Å; R54-Y92 HydrophobicContact CG-CD2 3.81Å; R54-Y92 HydrophobicContact CG-CE1 4.14Å; R54-Y92 HydrophobicContact CG-CE2 4.13Å; R54-Y92 HydrophobicContact CG-CG 3.63Å
55V92.8Very high88.7Confident2 Ų248 Ų481%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-79.7111.4-179.7-1740000109.2L24 H33 V35 I58 V63 L84 V86L24-V55 HydrophobicContact CD1-CG2 3.66Å; H33-V55 HydrophobicContact CB-CB 4.4Å; H33-V55 PolarHBondContact O-N 2.84Å; V35-V55 HydrophobicContact CG2-CG2 3.78Å; V55-I58 HydrophobicContact CG1-CD1 4.35Å; V55-I58 HydrophobicContact CG1-CG1 3.85Å; V55-V63 HydrophobicContact CG1-CG2 3.85Å; V55-L84 HydrophobicContact CG1-CD2 4.25Å; V55-V86 HydrophobicContact CG2-CG1 4.3Å
56L90.9Very high88.2Confident0 Ų047.6 Ų47.60%026%0.258CS..EExtended strand (participates in β ladder)trans-89.8-39.5176.6-61.6-175.5000111.8P7 R54 F62 V63 D64 L85 L87 Y92 L102 L105P7-L56 HydrophobicContact CB-CD1 4.48Å; R54-L56 PolarHBondContact O-N 3.1Å; L56-F62 WeakPolarHBondContact O-CA 3.47Å; L56-F62 WeakPolarHBondContact O-CD2 3.34Å; L56-V63 PolarHBondContact O-N 2.85Å; L56-D64 HydrophobicContact CD2-CB 4.37Å; L56-L85 WeakPolarHBondContact CA-O 3.04Å; L56-L85 WeakPolarHBondContact CB-O 3.31Å; L56-L85 PolarHBondContact N-O 3.42Å; L56-L87 HydrophobicContact CD1-CB 3.76Å; L56-L87 HydrophobicContact CD1-CD2 4.32Å; L56-L87 HydrophobicContact CG-CB 4.11Å; L56-Y92 HydrophobicContact CD2-CD2 3.94Å; L56-Y92 HydrophobicContact CD2-CE2 3.79Å; L56-L102 HydrophobicContact CD2-CB 4.31Å; L56-L102 HydrophobicContact CD2-CD1 4.37Å; L56-L105 HydrophobicContact CD1-CB 4.42Å
57R92.3Very high87.7Confident46 Ų4646 Ų4617%0.17425%0.253CS..EExtended strand (participates in β ladder)trans-139.4150.1179.2-54.1-177.9171.2-93-3.4113.4G60 V61 F62 L84 L85 N103R57-G60 PolarHBondContact NH1-O 2.91Å; R57-V61 CarbonylContact C-O 3.58Å; R57-V61 WeakPolarHBondContact CA-O 3.33Å; R57-V61 WeakPolarHBondContact CB-O 3.32Å; R57-F62 HydrophobicContact CG-CB 4.49Å; R57-F62 HydrophobicContact CG-CD2 4.27Å; R57-L84 CarbonylContact O-C 3.43Å; R57-L84 WeakPolarHBondContact O-CA 3.36Å; R57-L85 HydrophobicContact CB-CB 3.72Å; R57-L85 HydrophobicContact CG-CB 4.1Å; R57-L85 HydrophobicContact CG-CD2 4.01Å; R57-L85 PolarHBondContact N-O 3.18Å; R57-L85 VanDerWaalsContact N-O 3.09Å; R57-L85 PolarHBondContact O-N 2.93Å; R57-N103 PolarHBondContact NH2-O 3.38Å; R57-N103 PolarHBondContact NH2-OD1 2.82Å
58I90.4Very high87.2Confident2 Ų247.7 Ų47.71%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-124.7118.9169.3-56.7178.2000108.3V55 G60 V61 V63 V71 L74 V75 V82 T83 L84V55-I58 HydrophobicContact CG1-CD1 4.35Å; V55-I58 HydrophobicContact CG1-CG1 3.85Å; I58-G60 PolarHBondContact O-N 3.45Å; I58-G60 VanDerWaalsContact O-N 3.13Å; I58-V61 PolarHBondContact N-O 2.88Å; I58-V61 WeakPolarHBondContact O-CB 3.43Å; I58-V61 PolarHBondContact O-N 3.26Å; I58-V63 HydrophobicContact CB-CG1 4.31Å; I58-V63 HydrophobicContact CD1-CG1 4.22Å; I58-V63 HydrophobicContact CD1-CG2 4.25Å; I58-V63 HydrophobicContact CG1-CG1 4.11Å; I58-V63 HydrophobicContact CG1-CG2 3.98Å; I58-V71 HydrophobicContact CD1-CB 4.49Å; I58-V71 HydrophobicContact CD1-CG1 3.44Å; I58-V71 VanDerWaalsContact CD1-CG1 3.44Å; I58-V71 WeakPolarHBondContact CD1-O 3.27Å; I58-L74 HydrophobicContact CB-CB 4.45Å; I58-L74 HydrophobicContact CD1-CB 4.02Å; I58-L74 HydrophobicContact CG2-CB 4.19Å; I58-V75 HydrophobicContact CD1-CG2 3.57Å; I58-V82 HydrophobicContact CG2-CG2 3.66Å; I58-T83 CarbonylContact C-O 3.55Å; I58-T83 WeakPolarHBondContact CA-O 3.3Å; I58-L84 HydrophobicContact CB-CD2 4.32Å; I58-L84 HydrophobicContact CD1-CD2 4.4Å; I58-L84 HydrophobicContact CG1-CD2 3.72Å; I58-L84 HydrophobicContact CG2-CD2 4.19Å
59N86.6Confident86.4Confident82 Ų8248.8 Ų48.844%0.43926%0.263SS..THydrogen-bonded Turntrans49.337.2-176.3-58.8-29.5000113.4V61 S78 T83N59-V61 VanDerWaalsContact C-N 3.32Å; N59-V61 PolarHBondContact O-N 2.84Å; N59-S78 PolarHBondContact ND2-OG 2.82Å; N59-T83 PolarHBondContact N-O 2.86Å; N59-T83 PolarHBondContact OD1-N 3.17Å
60G78.9Confident85.7Confident50 Ų5053 Ų5352%0.51528%0.283SS..THydrogen-bonded Turntrans86.7-13.2-178.500000115.3R57 I58R57-G60 PolarHBondContact NH1-O 2.91Å; I58-G60 PolarHBondContact O-N 3.45Å; I58-G60 VanDerWaalsContact O-N 3.13Å
61V83.3Confident85.3Confident75 Ų7548.4 Ų48.446%0.45526%0.259SS..EExtended strand (participates in β ladder)trans-77128.6173.9-177.40000109.2R57 I58 N59 V63 L74R57-V61 CarbonylContact C-O 3.58Å; R57-V61 WeakPolarHBondContact CA-O 3.33Å; R57-V61 WeakPolarHBondContact CB-O 3.32Å; I58-V61 PolarHBondContact N-O 2.88Å; I58-V61 WeakPolarHBondContact O-CB 3.43Å; I58-V61 PolarHBondContact O-N 3.26Å; N59-V61 VanDerWaalsContact C-N 3.32Å; N59-V61 PolarHBondContact O-N 2.84Å; V61-V63 HydrophobicContact CG1-CG1 4.34Å; V61-L74 HydrophobicContact CG1-CD1 4.46Å
62F88.7Confident85Confident34 Ų3446.4 Ų46.415%0.14925%0.249CC..EExtended strand (participates in β ladder)trans-74.2129.6174.6-176.2-107.6000110.1L56 R57 D64 K65 L102 N103L56-F62 WeakPolarHBondContact O-CA 3.47Å; L56-F62 WeakPolarHBondContact O-CD2 3.34Å; R57-F62 HydrophobicContact CG-CB 4.49Å; R57-F62 HydrophobicContact CG-CD2 4.27Å; F62-D64 HydrophobicContact CE1-CB 3.82Å; F62-D64 HydrophobicContact CE2-CB 3.73Å; F62-D64 HydrophobicContact CZ-CB 3.33Å; F62-K65 HydrophobicContact CE1-CG 4.23Å; F62-L102 HydrophobicContact CE2-CB 4.1Å; F62-L102 HydrophobicContact CZ-CB 4.03Å; F62-N103 WeakPolarHBondContact CB-OD1 2.81Å; F62-N103 HydrophobicContact CD1-CB 4.4Å; F62-N103 HydrophobicContact CD2-CB 4.23Å; F62-N103 HydrophobicContact CE1-CB 4.31Å; F62-N103 HydrophobicContact CE2-CB 4.16Å; F62-N103 HydrophobicContact CG-CB 4.34Å; F62-N103 HydrophobicContact CZ-CB 4.17Å
63V87.3Confident84.7Confident0 Ų048.7 Ų48.70%026%0.259CS..  trans-127.5-2.9-170.2-62.40000114.2H33 V55 L56 I58 V61 K65 E66 V71 L74H33-V63 PolarHBondContact CD2-O 3.31Å; H33-V63 PolarHBondContact NE2-O 2.98Å; V55-V63 HydrophobicContact CG1-CG2 3.85Å; L56-V63 PolarHBondContact O-N 2.85Å; I58-V63 HydrophobicContact CB-CG1 4.31Å; I58-V63 HydrophobicContact CD1-CG1 4.22Å; I58-V63 HydrophobicContact CD1-CG2 4.25Å; I58-V63 HydrophobicContact CG1-CG1 4.11Å; I58-V63 HydrophobicContact CG1-CG2 3.98Å; V61-V63 HydrophobicContact CG1-CG1 4.34Å; V63-K65 PolarHBondContact O-N 3.3Å; V63-E66 HydrophobicContact CB-CB 4.48Å; V63-E66 HydrophobicContact CB-CG 4.33Å; V63-E66 WeakPolarHBondContact O-CB 3.35Å; V63-E66 PolarHBondContact O-N 2.74Å; V63-V71 HydrophobicContact CB-CG1 4.27Å; V63-V71 HydrophobicContact CB-CG2 3.81Å; V63-V71 HydrophobicContact CG1-CG2 4.42Å; V63-V71 HydrophobicContact CG2-CG1 4.12Å; V63-V71 HydrophobicContact CG2-CG2 4.46Å; V63-L74 HydrophobicContact CG1-CD1 3.59Å
64D86.5Confident84.4Confident18 Ų1851 Ų5110%0.09627%0.271CS..THydrogen-bonded Turntrans-59.8-31.3-173.6-17459.1000114.3L56 F62 Y92 L102L56-D64 HydrophobicContact CD2-CB 4.37Å; F62-D64 HydrophobicContact CE1-CB 3.82Å; F62-D64 HydrophobicContact CE2-CB 3.73Å; F62-D64 HydrophobicContact CZ-CB 3.33Å; D64-Y92 VanDerWaalsContact CG-OH 3.24Å; D64-Y92 WeakPolarHBondContact OD1-CE2 3.36Å; D64-Y92 VanDerWaalsContact OD1-CZ 3.22Å; D64-Y92 PolarHBondContact OD1-OH 3.48Å; D64-Y92 PolarHBondContact OD2-OH 3.21Å; D64-L102 VanDerWaalsContact OD2-CD1 3.29Å; D64-L102 WeakPolarHBondContact OD2-CD1 3.48Å
65K81.5Confident84.1Confident176 Ų17651.4 Ų51.477%0.76528%0.275SS*.THydrogen-bonded Turntrans-100.93.6179.2-63-173.6178.1-175.10113.3F62 V63F62-K65 HydrophobicContact CE1-CG 4.23Å; V63-K65 PolarHBondContact O-N 3.3Å
66E79.8Confident83.6Confident79 Ų7959.4 Ų59.437%0.36931%0.305SS..SBendtrans-83.4160.2-178-62.9-62.9156.900110.6H33 V63 Q70 V71H33-E66 PolarHBondContact CE1-O 3.29Å; H33-E66 PolarHBondContact NE2-O 3.13Å; V63-E66 HydrophobicContact CB-CB 4.48Å; V63-E66 HydrophobicContact CB-CG 4.33Å; V63-E66 WeakPolarHBondContact O-CB 3.35Å; V63-E66 PolarHBondContact O-N 2.74Å; E66-Q70 PolarHBondContact OE2-OE1 3.3Å; E66-V71 HydrophobicContact CB-CG2 3.82Å
67E78.9Confident83.3Confident133 Ų13367.5 Ų67.562%0.62134%0.34SS*.  trans-69.8144174.2-68.2-172.2156.300111.2A69 Q70 V71E67-A69 PolarHBondContact O-N 3.27Å; E67-A69 VanDerWaalsContact O-N 3.09Å; E67-Q70 HydrophobicContact CB-CG 4.19Å; E67-Q70 WeakPolarHBondContact O-CB 3.49Å; E67-Q70 PolarHBondContact O-N 2.86Å; E67-V71 WeakPolarHBondContact O-CG2 3.34Å; E67-V71 PolarHBondContact O-N 2.83Å; E67-V71 VanDerWaalsContact O-N 3.15Å
68H80.9Confident82.9Confident57 Ų5766.5 Ų66.526%0.26434%0.34SS..Hα-helixtrans-49.9-43-179-167.452.6000113.8I26 H33 Q70 V71 V72I26-H68 HydrophobicContact CD1-CB 3.53Å; I26-H68 HydrophobicContact CG1-CB 4.02Å; H33-H68 AromaticContact ND1-ND1 3.79Å; H68-Q70 VanDerWaalsContact C-N 3.29Å; H68-Q70 PolarHBondContact O-N 2.84Å; H68-V71 PolarHBondContact O-N 2.96Å; H68-V72 WeakPolarHBondContact O-CG2 3.45Å; H68-V72 PolarHBondContact O-N 3.42Å
69A72.4Confident82.7Confident60 Ų6068 Ų6850%0.49636%0.356SS..Hα-helixtrans-60.5-40.7-179.600000111.5E67 V72 D73E67-A69 PolarHBondContact O-N 3.27Å; E67-A69 VanDerWaalsContact O-N 3.09Å; A69-V72 PolarHBondContact O-N 2.93Å; A69-D73 WeakPolarHBondContact O-CB 3.39Å; A69-D73 PolarHBondContact O-N 2.7Å
70Q77.2Confident82.8Confident90 Ų9067.6 Ų67.642%0.42135%0.354SS..Hα-helixtrans-68.3-39.4179-58.2-174.830.800111.5E66 E67 H68 D73 L74E66-Q70 PolarHBondContact OE2-OE1 3.3Å; E67-Q70 HydrophobicContact CB-CG 4.19Å; E67-Q70 WeakPolarHBondContact O-CB 3.49Å; E67-Q70 PolarHBondContact O-N 2.86Å; H68-Q70 VanDerWaalsContact C-N 3.29Å; H68-Q70 PolarHBondContact O-N 2.84Å; Q70-D73 PolarHBondContact O-N 3.28Å; Q70-L74 WeakPolarHBondContact O-CG 3.38Å; Q70-L74 PolarHBondContact O-N 3.34Å
71V81.8Confident83.4Confident0 Ų068.7 Ų68.70%035%0.354CS..Hα-helixtrans-65.2-42.4176.4-174.90000111.4L24 H33 I58 V63 E66 E67 H68 D73 L74 V75L24-V71 HydrophobicContact CD2-CB 4.15Å; L24-V71 HydrophobicContact CD2-CG1 3.55Å; H33-V71 WeakPolarHBondContact NE2-CG2 3.08Å; I58-V71 HydrophobicContact CD1-CB 4.49Å; I58-V71 HydrophobicContact CD1-CG1 3.44Å; I58-V71 VanDerWaalsContact CD1-CG1 3.44Å; I58-V71 WeakPolarHBondContact CD1-O 3.27Å; V63-V71 HydrophobicContact CB-CG1 4.27Å; V63-V71 HydrophobicContact CB-CG2 3.81Å; V63-V71 HydrophobicContact CG1-CG2 4.42Å; V63-V71 HydrophobicContact CG2-CG1 4.12Å; V63-V71 HydrophobicContact CG2-CG2 4.46Å; E66-V71 HydrophobicContact CB-CG2 3.82Å; E67-V71 WeakPolarHBondContact O-CG2 3.34Å; E67-V71 PolarHBondContact O-N 2.83Å; E67-V71 VanDerWaalsContact O-N 3.15Å; H68-V71 PolarHBondContact O-N 2.96Å; V71-D73 VanDerWaalsContact C-N 3.34Å; V71-D73 PolarHBondContact O-N 2.95Å; V71-L74 PolarHBondContact O-N 3.14Å; V71-V75 WeakPolarHBondContact O-CG2 3.21Å; V71-V75 PolarHBondContact O-N 2.84Å; V71-V75 VanDerWaalsContact O-N 3.14Å
72V82.7Confident83.8Confident42 Ų4265.1 Ų65.126%0.25533%0.332SS..Hα-helixtrans-62-43173.7171.30000111.1L24 H68 A69 L74 V75 R76L24-V72 HydrophobicContact CD2-CG2 4.08Å; H68-V72 WeakPolarHBondContact O-CG2 3.45Å; H68-V72 PolarHBondContact O-N 3.42Å; A69-V72 PolarHBondContact O-N 2.93Å; V72-L74 VanDerWaalsContact C-N 3.34Å; V72-L74 PolarHBondContact O-N 2.8Å; V72-V75 PolarHBondContact O-N 3.28Å; V72-R76 PolarHBondContact O-N 3.5Å
73D80.6Confident84Confident61 Ų6165.1 Ų65.133%0.32634%0.335SS..Hα-helixtrans-65-36.5177.6-79.9-11.8000112.4A69 Q70 V71 R76 K77A69-D73 WeakPolarHBondContact O-CB 3.39Å; A69-D73 PolarHBondContact O-N 2.7Å; Q70-D73 PolarHBondContact O-N 3.28Å; V71-D73 VanDerWaalsContact C-N 3.34Å; V71-D73 PolarHBondContact O-N 2.95Å; D73-R76 PolarHBondContact O-N 3.48Å; D73-R76 IonicContact OD1-CZ 3.86Å; D73-R76 IonicContact OD1-NH1 3.73Å; D73-R76 PolarHBondContact OD1-NH1 3.23Å; D73-K77 VanDerWaalsContact O-CB 3.28Å; D73-K77 WeakPolarHBondContact O-CB 3.28Å; D73-K77 WeakPolarHBondContact O-CG 3.22Å; D73-K77 PolarHBondContact O-N 3.25Å
74L85.4Confident84.3Confident52 Ų5265.2 Ų65.227%0.27234%0.335SS..Hα-helixtrans-62.5-43.6173.8-77.3168.2000111.8I58 V61 V63 Q70 V71 V72 S78I58-L74 HydrophobicContact CB-CB 4.45Å; I58-L74 HydrophobicContact CD1-CB 4.02Å; I58-L74 HydrophobicContact CG2-CB 4.19Å; V61-L74 HydrophobicContact CG1-CD1 4.46Å; V63-L74 HydrophobicContact CG1-CD1 3.59Å; Q70-L74 WeakPolarHBondContact O-CG 3.38Å; Q70-L74 PolarHBondContact O-N 3.34Å; V71-L74 PolarHBondContact O-N 3.14Å; V72-L74 VanDerWaalsContact C-N 3.34Å; V72-L74 PolarHBondContact O-N 2.8Å; L74-S78 PolarHBondContact O-N 3.3Å; L74-S78 PolarHBondContact O-OG 2.76Å
75V86.4Confident84.6Confident21 Ų2165.3 Ų65.313%0.12734%0.336CS..Hα-helixtrans-62.7-43.1173.8-179.60000110.8Y20 F22 I58 V71 V72 S78Y20-V75 HydrophobicContact CD2-CG1 4.2Å; Y20-V75 HydrophobicContact CE2-CG1 4.25Å; F22-V75 HydrophobicContact CZ-CG1 4.35Å; I58-V75 HydrophobicContact CD1-CG2 3.57Å; V71-V75 WeakPolarHBondContact O-CG2 3.21Å; V71-V75 PolarHBondContact O-N 2.84Å; V71-V75 VanDerWaalsContact O-N 3.14Å; V72-V75 PolarHBondContact O-N 3.28Å; V75-S78 WeakPolarHBondContact O-CB 3.5Å; V75-S78 PolarHBondContact O-N 2.94Å
76R83.1Confident85.2Confident170 Ų17057 Ų5764%0.64230%0.299SS*.Hα-helixtrans-66.1-43.8-179.4-167.9-176.6-66.1131.9-1.3112.2V72 D73 S78 G79V72-R76 PolarHBondContact O-N 3.5Å; D73-R76 PolarHBondContact O-N 3.48Å; D73-R76 IonicContact OD1-CZ 3.86Å; D73-R76 IonicContact OD1-NH1 3.73Å; D73-R76 PolarHBondContact OD1-NH1 3.23Å; R76-S78 PolarHBondContact O-N 3.32Å; R76-G79 PolarHBondContact O-N 2.91Å
77K84.1Confident85.8Confident169 Ų16953.2 Ų53.274%0.73528%0.282SS*.Hα-helixtrans-66.6-21.3178.3-73.9172.9-175.5173.80113.1D73 G79D73-K77 VanDerWaalsContact O-CB 3.28Å; D73-K77 WeakPolarHBondContact O-CB 3.28Å; D73-K77 WeakPolarHBondContact O-CG 3.22Å; D73-K77 PolarHBondContact O-N 3.25Å; K77-G79 PolarHBondContact O-N 2.68Å
78S84Confident86.4Confident25 Ų2548.9 Ų48.918%0.17526%0.263CS..THydrogen-bonded Turntrans-68.1-12.1176.2-58.50000113.3N59 L74 V75 R76 N80 S81N59-S78 PolarHBondContact ND2-OG 2.82Å; L74-S78 PolarHBondContact O-N 3.3Å; L74-S78 PolarHBondContact O-OG 2.76Å; V75-S78 WeakPolarHBondContact O-CB 3.5Å; V75-S78 PolarHBondContact O-N 2.94Å; R76-S78 PolarHBondContact O-N 3.32Å; S78-N80 PolarHBondContact O-N 2.83Å; S78-S81 WeakPolarHBondContact CB-O 3.22Å
79G87.3Confident86.6Confident35 Ų3546.8 Ų46.836%0.36126%0.257SS..THydrogen-bonded Turntrans69.1-120.5175.400000112K14 Y20 R76 K77K14-G79 WeakPolarHBondContact CE-O 3.25Å; Y20-G79 PolarHBondContact OH-O 3.28Å; R76-G79 PolarHBondContact O-N 2.91Å; K77-G79 PolarHBondContact O-N 2.68Å
80N88.8Confident87.2Confident72 Ų7252.1 Ų52.139%0.38527%0.269SS..THydrogen-bonded Turntrans-95-5.6-174.2-70-22.7000114.5S13 K14 S78S13-N80 WeakPolarHBondContact CA-O 3.25Å; K14-N80 PolarHBondContact N-O 3.28Å; K14-N80 WeakPolarHBondContact O-CB 3.38Å; S78-N80 PolarHBondContact O-N 2.83Å
81S90Very high87.8Confident74 Ų7448.9 Ų48.952%0.51726%0.256SS..EExtended strand (participates in β ladder)trans-138.9128.8177.8-178.70000110.9L12 Y20 S78L12-S81 WeakPolarHBondContact O-CA 3.36Å; Y20-S81 PolarHBondContact OH-N 2.77Å; Y20-S81 VanDerWaalsContact OH-N 3.08Å; S78-S81 WeakPolarHBondContact CB-O 3.22Å
82V92.4Very high88.1Confident0 Ų049.3 Ų49.30%026%0.257CS..EExtended strand (participates in β ladder)trans-137.7138.2177.265.50000110.6L12 Y20 I58 L84L12-V82 HydrophobicContact CB-CG1 3.85Å; L12-V82 PolarHBondContact N-O 3.34Å; L12-V82 PolarHBondContact O-N 3.31Å; Y20-V82 HydrophobicContact CD1-CG1 4.2Å; Y20-V82 HydrophobicContact CD2-CG1 4.44Å; Y20-V82 HydrophobicContact CE1-CG1 3.73Å; Y20-V82 HydrophobicContact CE2-CG1 4.03Å; I58-V82 HydrophobicContact CG2-CG2 3.66Å; V82-L84 HydrophobicContact CG2-CD2 3.83Å; V82-L84 HydrophobicContact CG2-CG 4.43Å
83T92.4Very high88.3Confident34 Ų3452 Ų5221%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-107.5121.4173.5-56.20000109.2E9 K11 I58 N59E9-T83 HydrophobicContact CG-CG2 3.53Å; K11-T83 HydrophobicContact CG-CG2 4.02Å; I58-T83 CarbonylContact C-O 3.55Å; I58-T83 WeakPolarHBondContact CA-O 3.3Å; N59-T83 PolarHBondContact N-O 2.86Å; N59-T83 PolarHBondContact OD1-N 3.17Å
84L93.6Very high88.4Confident1 Ų153.5 Ų53.51%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-110.1127.1178.6-55.9179.5000109.4E9 C10 L12 F22 L49 V55 R57 I58 V82 V86E9-L84 CarbonylContact C-O 3.49Å; E9-L84 WeakPolarHBondContact CA-O 3.44Å; C10-L84 HydrophobicContact CB-CB 4.49Å; C10-L84 PolarHBondContact N-O 3.39Å; C10-L84 PolarHBondContact O-N 3.15Å; L12-L84 HydrophobicContact CD1-CD1 3.9Å; L12-L84 HydrophobicContact CD1-CG 4.06Å; L12-L84 HydrophobicContact CD2-CD1 4.43Å; F22-L84 HydrophobicContact CE1-CD1 4.34Å; F22-L84 HydrophobicContact CZ-CD1 3.96Å; L49-L84 HydrophobicContact CD1-CD1 4.3Å; L49-L84 HydrophobicContact CD2-CD1 4.41Å; V55-L84 HydrophobicContact CG1-CD2 4.25Å; R57-L84 CarbonylContact O-C 3.43Å; R57-L84 WeakPolarHBondContact O-CA 3.36Å; I58-L84 HydrophobicContact CB-CD2 4.32Å; I58-L84 HydrophobicContact CD1-CD2 4.4Å; I58-L84 HydrophobicContact CG1-CD2 3.72Å; I58-L84 HydrophobicContact CG2-CD2 4.19Å; V82-L84 HydrophobicContact CG2-CD2 3.83Å; V82-L84 HydrophobicContact CG2-CG 4.43Å; L84-V86 HydrophobicContact CB-CG1 4Å
85L93.3Very high88.4Confident21 Ų2151 Ų5111%0.1126%0.258CS..EExtended strand (participates in β ladder)trans-93.6119163.6-169.871.1000107.6P7 E9 L56 R57P7-L85 HydrophobicContact CB-CD1 4.04Å; P7-L85 HydrophobicContact CB-CD2 4.43Å; P7-L85 HydrophobicContact CB-CG 4.12Å; E9-L85 HydrophobicContact CB-CD1 4.22Å; L56-L85 WeakPolarHBondContact CA-O 3.04Å; L56-L85 WeakPolarHBondContact CB-O 3.31Å; L56-L85 PolarHBondContact N-O 3.42Å; R57-L85 HydrophobicContact CB-CB 3.72Å; R57-L85 HydrophobicContact CG-CB 4.1Å; R57-L85 HydrophobicContact CG-CD2 4.01Å; R57-L85 PolarHBondContact N-O 3.18Å; R57-L85 VanDerWaalsContact N-O 3.09Å; R57-L85 PolarHBondContact O-N 2.93Å
86V93.9Very high88.1Confident0 Ų052.6 Ų52.60%027%0.267CS..EExtended strand (participates in β ladder)trans-123.6152.2-175.3-57.90000112.4P7 R8 L49 D53 R54 V55 L84P7-V86 CarbonylContact C-O 3.58Å; P7-V86 VanDerWaalsContact CA-O 3.24Å; P7-V86 WeakPolarHBondContact CA-O 3.47Å; R8-V86 HydrophobicContact CB-CG2 4.18Å; R8-V86 PolarHBondContact N-O 2.95Å; R8-V86 PolarHBondContact O-N 2.64Å; L49-V86 HydrophobicContact CD1-CB 4.45Å; L49-V86 HydrophobicContact CD1-CG1 3.67Å; L49-V86 HydrophobicContact CD1-CG2 4.16Å; D53-V86 HydrophobicContact CB-CB 4.09Å; D53-V86 HydrophobicContact CB-CG2 4.26Å; R54-V86 CarbonylContact O-C 3.44Å; R54-V86 WeakPolarHBondContact O-CA 3.42Å; V55-V86 HydrophobicContact CG2-CG1 4.3Å; L84-V86 HydrophobicContact CB-CG1 4Å
87L92.7Very high88.1Confident0 Ų054.4 Ų54.40%027%0.274CS..EExtended strand (participates in β ladder)trans-123.7139.4172.9-172.264000109.3F5 P7 R54 L56 Y92 L102 L105F5-L87 HydrophobicContact CB-CD1 4.26Å; P7-L87 HydrophobicContact CB-CD1 4.4Å; R54-L87 PolarHBondContact N-O 2.94Å; R54-L87 PolarHBondContact O-N 2.63Å; L56-L87 HydrophobicContact CD1-CB 3.76Å; L56-L87 HydrophobicContact CD1-CD2 4.32Å; L56-L87 HydrophobicContact CG-CB 4.11Å; L87-Y92 HydrophobicContact CD2-CD2 4.3Å; L87-L102 HydrophobicContact CD2-CD2 4.11Å; L87-L105 HydrophobicContact CD1-CD2 4.26Å; L87-L105 HydrophobicContact CD2-CD2 3.72Å
88D91.3Very high87.9Confident43 Ų4352.2 Ų52.223%0.2327%0.265CS..EExtended strand (participates in β ladder)trans-63.5144.7177.469.991.4000110.8K90 S91 Y92D88-K90 VanDerWaalsContact C-N 3.28Å; D88-K90 PolarHBondContact O-N 3.18Å; D88-K90 PolarHBondContact OD1-N 3.05Å; D88-S91 WeakPolarHBondContact O-CB 3.46Å; D88-S91 PolarHBondContact O-N 3.28Å; D88-S91 VanDerWaalsContact O-N 3.09Å; D88-S91 VanDerWaalsContact OD1-CB 3.31Å; D88-S91 WeakPolarHBondContact OD1-CB 3.48Å; D88-S91 PolarHBondContact OD1-N 3.5Å; D88-S91 PolarHBondContact OD1-OG 2.85Å; D88-S91 VanDerWaalsContact OD1-OG 3.05Å; D88-S91 WeakPolarHBondContact OD2-CB 3.37Å; D88-S91 PolarHBondContact OD2-OG 3.33Å; D88-Y92 WeakPolarHBondContact O-CB 3.33Å; D88-Y92 PolarHBondContact O-N 2.86Å
89G85.3Confident87.5Confident12 Ų1259.7 Ų59.712%0.12430%0.297CS..Hα-helixtrans-54.3-39.7-173.700000114.3G52 Y92 E93G52-G89 WeakPolarHBondContact O-CA 3.42Å; G52-G89 PolarHBondContact O-N 3.4Å; G52-G89 VanDerWaalsContact O-N 3.17Å; G89-Y92 WeakPolarHBondContact O-CB 3.33Å; G89-Y92 PolarHBondContact O-N 2.62Å; G89-E93 WeakPolarHBondContact O-CG 3.49Å; G89-E93 PolarHBondContact O-N 3.41Å
90K85.6Confident87Confident173 Ų17360.3 Ų60.375%0.75229%0.294SS*.Hα-helixtrans-67.6-41.9179.4-66.1-179.7-179.6176.90111.9D88 Y92 K94D88-K90 VanDerWaalsContact C-N 3.28Å; D88-K90 PolarHBondContact O-N 3.18Å; D88-K90 PolarHBondContact OD1-N 3.05Å; K90-Y92 VanDerWaalsContact C-N 3.34Å; K90-K94 VanDerWaalsContact O-CB 3.27Å; K90-K94 WeakPolarHBondContact O-CB 3.37Å; K90-K94 PolarHBondContact O-N 2.84Å; K90-K94 VanDerWaalsContact O-N 3.16Å
91S88.6Confident86.6Confident21 Ų2160.9 Ų60.915%0.14730%0.297CS..Hα-helixtrans-65.5-39.4173.8-72.30000111.7F5 D88 K94 A95F5-S91 VanDerWaalsContact CD1-O 3.28Å; F5-S91 WeakPolarHBondContact CD1-O 3.24Å; F5-S91 WeakPolarHBondContact CE1-O 3.21Å; D88-S91 WeakPolarHBondContact O-CB 3.46Å; D88-S91 PolarHBondContact O-N 3.28Å; D88-S91 VanDerWaalsContact O-N 3.09Å; D88-S91 VanDerWaalsContact OD1-CB 3.31Å; D88-S91 WeakPolarHBondContact OD1-CB 3.48Å; D88-S91 PolarHBondContact OD1-N 3.5Å; D88-S91 PolarHBondContact OD1-OG 2.85Å; D88-S91 VanDerWaalsContact OD1-OG 3.05Å; D88-S91 WeakPolarHBondContact OD2-CB 3.37Å; D88-S91 PolarHBondContact OD2-OG 3.33Å; S91-K94 PolarHBondContact O-N 3.5Å; S91-A95 VanDerWaalsContact O-CB 3.31Å; S91-A95 WeakPolarHBondContact O-CB 3.37Å; S91-A95 PolarHBondContact O-N 2.85Å
92Y88.8Confident86.2Confident9 Ų958 Ų584%0.03528%0.275CS..Hα-helixtrans-62.8-53.8177.5-177.8-87.4000111.9D31 G32 R54 L56 D64 L87 D88 G89 K90 K94 A95 V96 L102D31-Y92 HydrophobicContact CB-CE1 3.87Å; D31-Y92 VanDerWaalsContact O-CE1 3.28Å; D31-Y92 WeakPolarHBondContact O-CE1 3.28Å; G32-Y92 WeakPolarHBondContact CA-OH 3.21Å; G32-Y92 PolarHBondContact N-OH 3.29Å; R54-Y92 HydrophobicContact CB-CD1 4.49Å; R54-Y92 HydrophobicContact CB-CD2 3.58Å; R54-Y92 HydrophobicContact CB-CE2 4Å; R54-Y92 HydrophobicContact CB-CG 3.85Å; R54-Y92 HydrophobicContact CG-CD1 3.8Å; R54-Y92 HydrophobicContact CG-CD2 3.81Å; R54-Y92 HydrophobicContact CG-CE1 4.14Å; R54-Y92 HydrophobicContact CG-CE2 4.13Å; R54-Y92 HydrophobicContact CG-CG 3.63Å; L56-Y92 HydrophobicContact CD2-CD2 3.94Å; L56-Y92 HydrophobicContact CD2-CE2 3.79Å; D64-Y92 VanDerWaalsContact CG-OH 3.24Å; D64-Y92 WeakPolarHBondContact OD1-CE2 3.36Å; D64-Y92 VanDerWaalsContact OD1-CZ 3.22Å; D64-Y92 PolarHBondContact OD1-OH 3.48Å; D64-Y92 PolarHBondContact OD2-OH 3.21Å; L87-Y92 HydrophobicContact CD2-CD2 4.3Å; D88-Y92 WeakPolarHBondContact O-CB 3.33Å; D88-Y92 PolarHBondContact O-N 2.86Å; G89-Y92 WeakPolarHBondContact O-CB 3.33Å; G89-Y92 PolarHBondContact O-N 2.62Å; K90-Y92 VanDerWaalsContact C-N 3.34Å; Y92-K94 PolarHBondContact O-N 3.19Å; Y92-A95 WeakPolarHBondContact O-CA 3.37Å; Y92-A95 WeakPolarHBondContact O-CB 3.28Å; Y92-A95 PolarHBondContact O-N 3.09Å; Y92-V96 HydrophobicContact CD1-CG2 3.98Å; Y92-V96 HydrophobicContact CE1-CG2 3.57Å; Y92-V96 WeakPolarHBondContact O-CG2 3.46Å; Y92-V96 PolarHBondContact O-N 2.92Å; Y92-L102 HydrophobicContact CD2-CD1 4.02Å; Y92-L102 HydrophobicContact CE2-CD1 3.42Å; Y92-L102 VanDerWaalsContact CE2-CD1 3.42Å
93E86.3Confident85.6Confident100 Ų10060.8 Ų60.847%0.46729%0.291SS..Hα-helixtrans-57-39.4177.3-71.6166.3-160.500111.9G89 R97G89-E93 WeakPolarHBondContact O-CG 3.49Å; G89-E93 PolarHBondContact O-N 3.41Å; E93-R97 VanDerWaalsContact O-CB 3.31Å; E93-R97 WeakPolarHBondContact O-CB 3.36Å; E93-R97 PolarHBondContact O-N 3.39Å
94K84.1Confident84.7Confident91 Ų9163.1 Ų63.140%0.39630%0.302SS..Hα-helixtrans-69.4-33.4176.5-178.7-176.5-179.5-175.80112.3F5 K90 S91 Y92 K98F5-K94 HydrophobicContact CE1-CB 3.94Å; F5-K94 HydrophobicContact CE1-CD 3.98Å; F5-K94 HydrophobicContact CE1-CG 3.84Å; F5-K94 HydrophobicContact CZ-CD 4.38Å; F5-K94 HydrophobicContact CZ-CG 4.05Å; K90-K94 VanDerWaalsContact O-CB 3.27Å; K90-K94 WeakPolarHBondContact O-CB 3.37Å; K90-K94 PolarHBondContact O-N 2.84Å; K90-K94 VanDerWaalsContact O-N 3.16Å; S91-K94 PolarHBondContact O-N 3.5Å; Y92-K94 PolarHBondContact O-N 3.19Å; K94-K98 HydrophobicContact CG-CD 4.41Å; K94-K98 WeakPolarHBondContact O-CB 3.42Å; K94-K98 VanDerWaalsContact O-CG 3.26Å; K94-K98 WeakPolarHBondContact O-CG 3.46Å; K94-K98 PolarHBondContact O-N 3.33Å
95A83.8Confident83.5Confident0 Ų064 Ų640%031%0.306CS..Hα-helixtrans-71-44.9175.900000110.9F5 S91 Y92 K98 Q99 V100 L102F5-A95 HydrophobicContact CD1-CB 4.03Å; F5-A95 HydrophobicContact CE1-CB 3.73Å; F5-A95 HydrophobicContact CE2-CB 4.28Å; F5-A95 HydrophobicContact CG-CB 4.39Å; F5-A95 HydrophobicContact CZ-CB 3.85Å; S91-A95 VanDerWaalsContact O-CB 3.31Å; S91-A95 WeakPolarHBondContact O-CB 3.37Å; S91-A95 PolarHBondContact O-N 2.85Å; Y92-A95 WeakPolarHBondContact O-CA 3.37Å; Y92-A95 WeakPolarHBondContact O-CB 3.28Å; Y92-A95 PolarHBondContact O-N 3.09Å; A95-K98 CarbonylContact O-C 3.57Å; A95-K98 PolarHBondContact O-N 3.47Å; A95-Q99 PolarHBondContact O-N 3.06Å; A95-Q99 VanDerWaalsContact O-N 3.13Å; A95-V100 HydrophobicContact CB-CB 4.14Å; A95-V100 HydrophobicContact CB-CG2 4.49Å; A95-V100 PolarHBondContact O-N 3.14Å; A95-L102 HydrophobicContact CB-CD2 3.59Å
96V81.9Confident81.7Confident54 Ų5465.3 Ų65.333%0.32733%0.325SS..Hα-helixtrans-60-49.1174.4175.20000110.9Y92 K98 Q99 L102Y92-V96 HydrophobicContact CD1-CG2 3.98Å; Y92-V96 HydrophobicContact CE1-CG2 3.57Å; Y92-V96 WeakPolarHBondContact O-CG2 3.46Å; Y92-V96 PolarHBondContact O-N 2.92Å; V96-K98 PolarHBondContact O-N 3.02Å; V96-Q99 PolarHBondContact O-N 3.05Å; V96-L102 HydrophobicContact CG2-CD1 4.06Å
97R81.3Confident79.6Confident209 Ų20971.4 Ų71.479%0.78935%0.353SS*.Hα-helixtrans-59.3-31.4177.2-171.4-176.5-60.2166.34.1113.2E93 Q99E93-R97 VanDerWaalsContact O-CB 3.31Å; E93-R97 WeakPolarHBondContact O-CB 3.36Å; E93-R97 PolarHBondContact O-N 3.39Å; R97-Q99 VanDerWaalsContact C-N 3.32Å
98K80Confident77.1Confident122 Ų12277 Ų7753%0.5339%0.393SS..THydrogen-bonded Turntrans-89.85.2178.3-73-175.1176.9-162.50113.3F5 K94 A95 V96 V100F5-K98 HydrophobicContact CZ-CD 4.29Å; K94-K98 HydrophobicContact CG-CD 4.41Å; K94-K98 WeakPolarHBondContact O-CB 3.42Å; K94-K98 VanDerWaalsContact O-CG 3.26Å; K94-K98 WeakPolarHBondContact O-CG 3.46Å; K94-K98 PolarHBondContact O-N 3.33Å; A95-K98 CarbonylContact O-C 3.57Å; A95-K98 PolarHBondContact O-N 3.47Å; V96-K98 PolarHBondContact O-N 3.02Å; K98-V100 HydrophobicContact CB-CG2 3.78Å; K98-V100 PolarHBondContact O-N 2.8Å
99Q76Confident74.5Confident182 Ų18281.5 Ų81.585%0.8541%0.412SS*.THydrogen-bonded Turntrans51.239.7-175.8-61.7-178.6-9.300112.7A95 V96 R97A95-Q99 PolarHBondContact O-N 3.06Å; A95-Q99 VanDerWaalsContact O-N 3.13Å; V96-Q99 PolarHBondContact O-N 3.05Å; R97-Q99 VanDerWaalsContact C-N 3.32Å
100V77.6Confident71.8Confident48 Ų4891 Ų9129%0.29145%0.45SS..  trans-76.6135.1177.81800000108.8F5 A95 K98 L102 L105F5-V100 HydrophobicContact CE2-CG1 4.48Å; F5-V100 HydrophobicContact CE2-CG2 3.83Å; F5-V100 HydrophobicContact CZ-CG2 4.31Å; A95-V100 HydrophobicContact CB-CB 4.14Å; A95-V100 HydrophobicContact CB-CG2 4.49Å; A95-V100 PolarHBondContact O-N 3.14Å; K98-V100 HydrophobicContact CB-CG2 3.78Å; K98-V100 PolarHBondContact O-N 2.8Å; V100-L102 PolarHBondContact O-N 3.34Å; V100-L105 HydrophobicContact CG1-CD1 3.48Å; V100-L105 VanDerWaalsContact CG1-CD1 3.48Å
101D80.5Confident69.2Low85 Ų8589.9 Ų89.946%0.45545%0.447SS..  trans-69.998.4173.8-172.7-0.9000110.8N103 N104D101-N103 PolarHBondContact O-N 2.82Å; D101-N103 WeakPolarHBondContact OD1-CB 3.24Å; D101-N103 PolarHBondContact OD1-N 2.78Å; D101-N104 PolarHBondContact O-N 2.93Å; D101-N104 VanDerWaalsContact O-N 3.09Å; D101-N104 PolarHBondContact OD2-ND2 2.78Å
102L82.1Confident66.4Low13 Ų1394.8 Ų94.87%0.06848%0.479CS..THydrogen-bonded Turntrans-62-20.5178.6-66.3175.1000113.1L56 F62 D64 L87 Y92 A95 V96 V100 N104 L105L56-L102 HydrophobicContact CD2-CB 4.31Å; L56-L102 HydrophobicContact CD2-CD1 4.37Å; F62-L102 HydrophobicContact CE2-CB 4.1Å; F62-L102 HydrophobicContact CZ-CB 4.03Å; D64-L102 VanDerWaalsContact OD2-CD1 3.29Å; D64-L102 WeakPolarHBondContact OD2-CD1 3.48Å; L87-L102 HydrophobicContact CD2-CD2 4.11Å; Y92-L102 HydrophobicContact CD2-CD1 4.02Å; Y92-L102 HydrophobicContact CE2-CD1 3.42Å; Y92-L102 VanDerWaalsContact CE2-CD1 3.42Å; A95-L102 HydrophobicContact CB-CD2 3.59Å; V96-L102 HydrophobicContact CG2-CD1 4.06Å; V100-L102 PolarHBondContact O-N 3.34Å; L102-N104 VanDerWaalsContact C-N 3.29Å; L102-N104 PolarHBondContact O-N 2.72Å; L102-L105 HydrophobicContact CD2-CD1 4.48Å; L102-L105 HydrophobicContact CD2-CD2 4.19Å; L102-L105 PolarHBondContact O-N 2.86Å
103N78.5Confident63.5Low59 Ų5998.8 Ų98.832%0.31651%0.514SS..THydrogen-bonded Turntrans-68.3-31.1175.5-165.918.9000111R57 F62 D101R57-N103 PolarHBondContact NH2-O 3.38Å; R57-N103 PolarHBondContact NH2-OD1 2.82Å; F62-N103 WeakPolarHBondContact CB-OD1 2.81Å; F62-N103 HydrophobicContact CD1-CB 4.4Å; F62-N103 HydrophobicContact CD2-CB 4.23Å; F62-N103 HydrophobicContact CE1-CB 4.31Å; F62-N103 HydrophobicContact CE2-CB 4.16Å; F62-N103 HydrophobicContact CG-CB 4.34Å; F62-N103 HydrophobicContact CZ-CB 4.17Å; D101-N103 PolarHBondContact O-N 2.82Å; D101-N103 WeakPolarHBondContact OD1-CB 3.24Å; D101-N103 PolarHBondContact OD1-N 2.78Å
104N74.1Confident60.8Low83 Ų8399.1 Ų99.144%0.44453%0.527SS..SBendtrans-89.7-5.4-179.6-64-40.9000113.6D101 L102 G106D101-N104 PolarHBondContact O-N 2.93Å; D101-N104 VanDerWaalsContact O-N 3.09Å; D101-N104 PolarHBondContact OD2-ND2 2.78Å; L102-N104 VanDerWaalsContact C-N 3.29Å; L102-N104 PolarHBondContact O-N 2.72Å; N104-G106 PolarHBondContact O-N 2.81Å
105L68.9Low58.1Low19 Ų19101.9 Ų101.910%0.09955%0.546CS..THydrogen-bonded Turntrans-69.4125175.2-99.977.3000110.8F5 P7 L56 L87 V100 L102F5-L105 HydrophobicContact CB-CD2 3.43Å; F5-L105 VanDerWaalsContact CB-CD2 3.43Å; F5-L105 HydrophobicContact CB-CG 4.28Å; F5-L105 HydrophobicContact CG-CD2 4.15Å; P7-L105 HydrophobicContact CG-CB 4.26Å; L56-L105 HydrophobicContact CD1-CB 4.42Å; L87-L105 HydrophobicContact CD1-CD2 4.26Å; L87-L105 HydrophobicContact CD2-CD2 3.72Å; V100-L105 HydrophobicContact CG1-CD1 3.48Å; V100-L105 VanDerWaalsContact CG1-CD1 3.48Å; L102-L105 HydrophobicContact CD2-CD1 4.48Å; L102-L105 HydrophobicContact CD2-CD2 4.19Å; L102-L105 PolarHBondContact O-N 2.86Å
106G54.7Low55.8Low49 Ų49107.7 Ų107.751%0.50558%0.578SS.*THydrogen-bonded Turntrans97.7-0.8176.600000115.1N104 S108N104-G106 PolarHBondContact O-N 2.81Å; G106-S108 PolarHBondContact O-N 3.09Å
107Q50.1Low53.4Low127 Ų127114.9 Ų114.959%0.59360%0.604SS**  trans-74.179.4160.8-63.7-179.721.800107.8Q109Q107-Q109 VanDerWaalsContact C-N 3.28Å; Q107-Q109 PolarHBondContact O-N 3.06Å
108S39Very low51.1Low118 Ų118114.1 Ų114.183%0.82561%0.607SS**  trans-67.994.5175.7-165.30000108.8G106 K110G106-S108 PolarHBondContact O-N 3.09Å; S108-K110 PolarHBondContact O-N 2.96Å
109Q37.5Very low48.6Very low138 Ų138114.2 Ų114.265%0.64562%0.62SS**  trans-54.9127.6146.1-68-175.6-37.500107.7Q107 E111Q107-Q109 VanDerWaalsContact C-N 3.28Å; Q107-Q109 PolarHBondContact O-N 3.06Å; Q109-E111 HydrophobicContact CB-CG 3.89Å; Q109-E111 PolarHBondContact O-N 2.95Å; Q109-E111 PolarHBondContact OE1-OE1 3.12Å
110K29.6Very low46.3Very low210 Ų210110.3 Ų110.391%0.91361%0.612SS**  trans-64.3104.7147.6-80.3175.7172.9176.30106.2S108S108-K110 PolarHBondContact O-N 2.96Å
111E30.8Very low44.7Very low150 Ų150113.5 Ų113.570%0.70163%0.634SS**  trans-111.5134166.3-76.4-158.3144.400111Q109Q109-E111 HydrophobicContact CB-CG 3.89Å; Q109-E111 PolarHBondContact O-N 2.95Å; Q109-E111 PolarHBondContact OE1-OE1 3.12Å
112P28.3Very low42.1Very low125 Ų125117.9 Ų117.981%0.81266%0.657SS**  trans-77.6155.2154.78.49.7000110.9
113A29.5Very low39.5Very low92 Ų92125.2 Ų125.276%0.7669%0.693SS**  trans-81.6170.6-161.100000117.4
114S29.6Very low37.1Very low108 Ų108129.9 Ų129.976%0.75572%0.717SS**  trans85142.5158.880.90000116.1
115N27.3Very low34.9Very low149 Ų149129.3 Ų129.380%0.79773%0.731SS**  cis-158.7165.813.3-113.5-13.1000110.6
116D35.3Very low32.7Very low122 Ų122133.1 Ų133.165%0.65277%0.765SS**  trans-50.6143.6-176.9-67-66.9000118.1
117K30.2Very low31.7Very low205 Ų205137 Ų13789%0.89178%0.779SS**  -175125.1121.4-99.4169.5-171.4-177.70111.7
118K33.4Very low30.9Very low193 Ų193139.3 Ų139.384%0.83979%0.79SS**  trans-71.1147.4167-165.3-177.9-175.9-175.80109.7
119P28.4Very low30.7Very low123 Ų123140.1 Ų140.180%0.79979%0.79SS**  -136.6165.1118.124.7-5.3000114.2
120S27.8Very low30.8Very low100 Ų100137.9 Ų137.970%0.69979%0.788SS**  trans-84.5175.1-171.549.20000113.9
121P43.1Very low32.3Very low115 Ų115130.1 Ų130.175%0.74776%0.763SS**  trans-95.6145-156.536.9-30.7000113.6
122L26.1Very low34.2Very low178 Ų178128.4 Ų128.493%0.93276%0.755SS**  trans-144.8116.8160.7-75.5175.9000110.9
123M26.6Very low36.9Very low167 Ų167122.7 Ų122.782%0.82372%0.718SS**  trans8.2116.3150.9-154.484.5108.700119.3
124N28.1Very low39.6Very low156 Ų156120.1 Ų120.183%0.83469%0.689SS**  162.7129.3114.3-96.2-27.1000112.1
125G28.7Very low42.4Very low71 Ų71115.1 Ų115.173%0.73265%0.654SS**  trans77.567.2156.900000116.5V127G125-V127 PolarHBondContact O-N 2.88Å
126A23.7Very low45.4Very low99 Ų99108 Ų10882%0.81862%0.616SS**  trans-67.499.6160.100000108.1E128A126-E128 PolarHBondContact O-N 3.17Å
127V32.5Very low48Very low130 Ų130103.4 Ų103.479%0.78859%0.589SS**  trans-59.299.9152.1174.60000104.9G125 T129G125-V127 PolarHBondContact O-N 2.88Å; V127-T129 PolarHBondContact O-N 3.12Å
128E33.2Very low51Low177 Ų17793.6 Ų93.683%0.82755%0.547SS*.  trans-52117.8166.6-74-178.1161.600106.8A126 C130A126-E128 PolarHBondContact O-N 3.17Å; E128-C130 PolarHBondContact O-N 2.92Å
129T34.4Very low53.7Low135 Ų13587.6 Ų87.683%0.82853%0.526SS*.  trans-62.2100.3-171.848.90000109.1V127 A131V127-T129 PolarHBondContact O-N 3.12Å; T129-A131 PolarHBondContact O-N 2.79Å
130C40.2Very low56.6Low90 Ų9085.2 Ų85.261%0.60850%0.503SS*.PPolyproline II helixtrans-53.7121.1166.9-174.40000107.5E128 Q132E128-C130 PolarHBondContact O-N 2.92Å; C130-Q132 PolarHBondContact O-N 2.9Å
131A60.5Low59.4Low47 Ų4786.1 Ų86.139%0.38850%0.496SS..PPolyproline II helixtrans-58.6116.6174.200000107.7T129 T216T129-A131 PolarHBondContact O-N 2.79Å; A131-T216 WeakPolarHBondContact CB-OG1 3.35Å; A131-T216 WeakPolarHBondContact O-CG2 3.44Å; A131-T216 PolarHBondContact O-OG1 3.23Å
132Q71.7Confident61.3Low114 Ų11483.8 Ų83.853%0.53349%0.493SS..PPolyproline II helixtrans-72.6148.4-171.6-71.4172.71.400110.4C130 T231C130-Q132 PolarHBondContact O-N 2.9Å; Q132-T231 WeakPolarHBondContact CB-O 3.49Å
133P83.9Confident64Low5 Ų582.7 Ų82.73%0.03249%0.488CS..PPolyproline II helixtrans-50145.8168.9-2634.9000111.2L210 V212 F227 A232 S233P133-L210 HydrophobicContact CB-CD1 3.79Å; P133-L210 HydrophobicContact CB-CG 4.37Å; P133-V212 HydrophobicContact CB-CG2 4.1Å; P133-V212 HydrophobicContact CG-CG2 4.28Å; P133-F227 HydrophobicContact CG-CD1 3.72Å; P133-F227 HydrophobicContact CG-CE1 4.29Å; P133-F227 HydrophobicContact CG-CG 4.42Å; P133-A232 HydrophobicContact CB-CB 4.16Å; P133-A232 CarbonylContact O-C 3.57Å; P133-A232 WeakPolarHBondContact O-CA 3.48Å; P133-S233 PolarHBondContact O-N 2.83Å
134R87.9Confident66.8Low39 Ų3977.9 Ų77.915%0.14747%0.471CS..EExtended strand (participates in β ladder)trans-110.4130.3-177.7-63-168.7-58.4-98.8-8.5110.7G173 L175 D178 L211 L236R134-G173 PolarHBondContact NE-O 2.91Å; R134-L175 VanDerWaalsContact NH1-CD1 3.29Å; R134-L175 VanDerWaalsContact NH2-CD1 3.33Å; R134-L175 VanDerWaalsContact NH2-CG 3.28Å; R134-D178 IonicContact CZ-OD1 2.74Å; R134-D178 IonicContact CZ-OD2 3.14Å; R134-D178 IonicContact NH2-OD1 3.41Å; R134-D178 PolarHBondContact NH2-OD1 3.26Å; R134-D178 IonicContact NH2-OD2 2.67Å; R134-D178 PolarHBondContact NH2-OD2 3.05Å; R134-L211 PolarHBondContact N-O 3.47Å; R134-L211 PolarHBondContact O-N 3.26Å; R134-L236 HydrophobicContact CB-CD1 4.28Å; R134-L236 HydrophobicContact CG-CD1 4.38Å
135L87.4Confident69.7Low3 Ų371.4 Ų71.42%0.01644%0.436CS..EExtended strand (participates in β ladder)trans-95.1116.3172.5-165.575.6000109.5M208 F209 L210 S233 L234 L237 A331 F333L135-M208 HydrophobicContact CD1-CG 3.72Å; L135-M208 HydrophobicContact CD1-SD 3.83Å; L135-M208 HydrophobicContact CD2-CE 4.23Å; L135-M208 HydrophobicContact CD2-CG 4.49Å; L135-M208 HydrophobicContact CD2-SD 3.82Å; L135-M208 HydrophobicContact CG-CG 4.1Å; L135-M208 HydrophobicContact CG-SD 3.49Å; L135-M208 WeakPolarHBondContact CG-SD 3.49Å; L135-F209 CarbonylContact C-O 3.57Å; L135-F209 WeakPolarHBondContact CA-O 3.43Å; L135-L210 HydrophobicContact CD1-CB 4.49Å; L135-L210 HydrophobicContact CD1-CD1 4.31Å; L135-S233 PolarHBondContact N-O 3.4Å; L135-L234 HydrophobicContact CB-CD2 4.43Å; L135-L234 HydrophobicContact CD2-CD2 3.74Å; L135-L237 HydrophobicContact CB-CD2 4.46Å; L135-L237 HydrophobicContact CD2-CD1 3.78Å; L135-L237 HydrophobicContact CD2-CD2 3.74Å; L135-L237 HydrophobicContact CD2-CG 4.06Å; L135-L237 HydrophobicContact CG-CD2 4.06Å; L135-A331 HydrophobicContact CD2-CB 3.58Å; L135-F333 HydrophobicContact CD1-CE2 4.06Å; L135-F333 HydrophobicContact CD2-CD2 3.95Å; L135-F333 HydrophobicContact CD2-CE2 3.79Å; L135-F333 HydrophobicContact CG-CE2 4.5Å
136C89.6Confident72.6Confident0 Ų068.4 Ų68.40%040%0.404CS..EExtended strand (participates in β ladder)trans-115.6120.1-174.3-56.60000109.6L138 A172 V174 M208 F209 L211C136-L138 HydrophobicContact CB-CD1 4.06Å; C136-L138 WeakPolarHBondContact O-CD1 3.41Å; C136-A172 HydrophobicContact CB-CB 4.45Å; C136-A172 WeakPolarHBondContact CB-O 3.03Å; C136-A172 PolarHBondContact SG-O 2.9Å; C136-V174 HydrophobicContact CB-CG2 4.09Å; C136-M208 WeakPolarHBondContact O-CA 3.38Å; C136-F209 PolarHBondContact N-O 3.15Å; C136-F209 PolarHBondContact O-N 3.4Å; C136-L211 HydrophobicContact CB-CD1 4.34Å
137Y91.5Very high75.9Confident24 Ų2465.1 Ų65.19%0.09437%0.372CS..EExtended strand (participates in β ladder)trans-101.2119.9175178.8-106.2000110.4V139 A172 R206 M208 P238 I327 L330Y137-V139 HydrophobicContact CD1-CG2 3.95Å; Y137-V139 HydrophobicContact CE1-CG2 3.22Å; Y137-A172 WeakPolarHBondContact O-CB 3.42Å; Y137-R206 HydrophobicContact CE2-CB 4.29Å; Y137-R206 VanDerWaalsContact OH-CD 3.3Å; Y137-R206 WeakPolarHBondContact OH-CD 3.45Å; Y137-M208 HydrophobicContact CD2-CE 3.76Å; Y137-M208 HydrophobicContact CD2-SD 4.4Å; Y137-M208 HydrophobicContact CG-CE 4.22Å; Y137-P238 HydrophobicContact CD1-CG 3.55Å; Y137-P238 HydrophobicContact CE1-CG 4.24Å; Y137-P238 HydrophobicContact CG-CG 4.38Å; Y137-I327 HydrophobicContact CD1-CD1 4.26Å; Y137-I327 HydrophobicContact CD1-CG1 4.15Å; Y137-I327 HydrophobicContact CD2-CG1 4.32Å; Y137-I327 HydrophobicContact CD2-CG2 4.4Å; Y137-I327 HydrophobicContact CE1-CD1 4.04Å; Y137-I327 HydrophobicContact CE1-CG1 3.84Å; Y137-I327 HydrophobicContact CE2-CG1 4.01Å; Y137-I327 HydrophobicContact CG-CG1 4.34Å; Y137-I327 HydrophobicContact CG-CG2 4.32Å; Y137-L330 HydrophobicContact CD2-CD2 4.25Å; Y137-L330 HydrophobicContact CE2-CD2 3.87Å
138L92Very high78.5Confident0 Ų061.1 Ų61.10%035%0.35CS..EExtended strand (participates in β ladder)trans-113.5129.9-176.6-63.586.7000110.2C136 F145 F147 V168 A169 A172 V174 R206 V207 F209C136-L138 HydrophobicContact CB-CD1 4.06Å; C136-L138 WeakPolarHBondContact O-CD1 3.41Å; L138-F145 HydrophobicContact CB-CD1 3.83Å; L138-F145 HydrophobicContact CB-CE1 4.21Å; L138-F145 HydrophobicContact CD2-CB 4.16Å; L138-F145 HydrophobicContact CD2-CD1 4.4Å; L138-F147 HydrophobicContact CD2-CD1 3.95Å; L138-F147 HydrophobicContact CD2-CE1 3.83Å; L138-V168 HydrophobicContact CB-CG1 3.88Å; L138-V168 HydrophobicContact CD2-CG1 4.38Å; L138-V168 HydrophobicContact CG-CG1 4.33Å; L138-A169 HydrophobicContact CD2-CB 3.95Å; L138-A172 HydrophobicContact CD1-CB 4.28Å; L138-A172 HydrophobicContact CG-CB 3.83Å; L138-V174 HydrophobicContact CD1-CG2 4.25Å; L138-V174 HydrophobicContact CD2-CG2 4.21Å; L138-R206 WeakPolarHBondContact O-CA 3.39Å; L138-V207 HydrophobicContact CB-CG1 3.82Å; L138-V207 HydrophobicContact CD1-CG1 4.25Å; L138-V207 HydrophobicContact CG-CG1 4.47Å; L138-V207 PolarHBondContact N-O 3.04Å; L138-V207 PolarHBondContact O-N 2.92Å; L138-F209 HydrophobicContact CD1-CD2 3.63Å; L138-F209 HydrophobicContact CD1-CE2 4.06Å; L138-F209 HydrophobicContact CD1-CG 4.29Å; L138-F209 HydrophobicContact CD2-CE2 4.34Å
139V91.4Very high81.3Confident67 Ų6754.3 Ų54.341%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-113.9118.8171.8-174.60000108.6Y137 E141 V168 S205Y137-V139 HydrophobicContact CD1-CG2 3.95Å; Y137-V139 HydrophobicContact CE1-CG2 3.22Å; V139-E141 PolarHBondContact O-N 3.09Å; V139-V168 WeakPolarHBondContact O-CG1 3.31Å; V139-V168 VanDerWaalsContact O-CG2 3.28Å; V139-V168 WeakPolarHBondContact O-CG2 3.32Å; V139-S205 WeakPolarHBondContact CA-O 3.27Å
140K88.1Confident83.8Confident73 Ų7352.7 Ų52.732%0.31730%0.3SS..  trans-59.8122.3-175.1-161.3176.2178-178.70111N143 F145 S205K140-N143 VanDerWaalsContact CE-CA 3.49Å; K140-N143 WeakPolarHBondContact CE-O 3.3Å; K140-N143 PolarHBondContact NZ-O 3.31Å; K140-F145 HydrophobicContact CB-CD1 3.97Å; K140-F145 HydrophobicContact CB-CE1 3.54Å; K140-F145 HydrophobicContact CB-CZ 3.86Å; K140-F145 HydrophobicContact CD-CE2 4.19Å; K140-F145 HydrophobicContact CD-CZ 4.18Å; K140-F145 HydrophobicContact CG-CD1 4.27Å; K140-F145 HydrophobicContact CG-CE1 4.14Å; K140-F145 HydrophobicContact CG-CE2 4.37Å; K140-F145 HydrophobicContact CG-CG 4.47Å; K140-F145 HydrophobicContact CG-CZ 4.18Å; K140-S205 WeakPolarHBondContact CB-O 3.41Å; K140-S205 PolarHBondContact N-O 2.87Å
141E86.1Confident86.1Confident118 Ų11851.8 Ų51.855%0.55129%0.292SS*.BIsolated β-bridgetrans-99.5113.1170.9-74178.3175.600108.1V139 N143 V168 K171V139-E141 PolarHBondContact O-N 3.09Å; E141-N143 PolarHBondContact O-N 3.18Å; E141-V168 HydrophobicContact CB-CG2 3.63Å; E141-V168 HydrophobicContact CG-CG2 3.54Å; E141-K171 IonicContact OE1-NZ 2.87Å; E141-K171 IonicContact OE2-NZ 2.86Å
142G83.4Confident87Confident66 Ų6651.8 Ų51.868%0.6829%0.285SS*.THydrogen-bonded Turntrans65.1-123.9-172.100000112.2
143N82.3Confident87.1Confident155 Ų15555.8 Ų55.883%0.82930%0.304SS*.THydrogen-bonded Turntrans-103.83.9-174.6-80.8-14.3000115.1K140 E141K140-N143 VanDerWaalsContact CE-CA 3.49Å; K140-N143 WeakPolarHBondContact CE-O 3.3Å; K140-N143 PolarHBondContact NZ-O 3.31Å; E141-N143 PolarHBondContact O-N 3.18Å
144S87.2Confident86.5Confident67 Ų6759.8 Ų59.847%0.46935%0.346SS..BIsolated β-bridgetrans-139.2154.6-176.6-1730000113G146S144-G146 PolarHBondContact OG-N 3.47Å
145F88.6Confident85.9Confident20 Ų2063.8 Ų63.89%0.08836%0.364CS..  trans-92.9-5.9166.5-66.5-75.4000112.2L138 K140 F147 V168 A169 V200 V207L138-F145 HydrophobicContact CB-CD1 3.83Å; L138-F145 HydrophobicContact CB-CE1 4.21Å; L138-F145 HydrophobicContact CD2-CB 4.16Å; L138-F145 HydrophobicContact CD2-CD1 4.4Å; K140-F145 HydrophobicContact CB-CD1 3.97Å; K140-F145 HydrophobicContact CB-CE1 3.54Å; K140-F145 HydrophobicContact CB-CZ 3.86Å; K140-F145 HydrophobicContact CD-CE2 4.19Å; K140-F145 HydrophobicContact CD-CZ 4.18Å; K140-F145 HydrophobicContact CG-CD1 4.27Å; K140-F145 HydrophobicContact CG-CE1 4.14Å; K140-F145 HydrophobicContact CG-CE2 4.37Å; K140-F145 HydrophobicContact CG-CG 4.47Å; K140-F145 HydrophobicContact CG-CZ 4.18Å; F145-F147 HydrophobicContact CB-CD1 3.47Å; F145-F147 VanDerWaalsContact CB-CD1 3.47Å; F145-F147 HydrophobicContact CB-CE1 3.2Å; F145-F147 HydrophobicContact CB-CZ 4.23Å; F145-F147 HydrophobicContact CD2-CE1 4.07Å; F145-F147 HydrophobicContact CD2-CZ 4.4Å; F145-F147 AromaticContact CG-CE1 3.82Å; F145-F147 HydrophobicContact CG-CE1 3.82Å; F145-V168 HydrophobicContact CD1-CG1 4.44Å; F145-V168 WeakPolarHBondContact O-CB 3.46Å; F145-A169 VanDerWaalsContact O-CB 3.31Å; F145-A169 WeakPolarHBondContact O-CB 3.42Å; F145-A169 PolarHBondContact O-N 2.89Å; F145-V200 HydrophobicContact CE2-CG1 4.38Å; F145-V207 HydrophobicContact CD1-CG1 4.26Å; F145-V207 HydrophobicContact CE1-CG1 3.86Å; F145-V207 HydrophobicContact CE2-CG1 4.41Å; F145-V207 HydrophobicContact CZ-CB 4.46Å; F145-V207 HydrophobicContact CZ-CG1 3.95Å
146G88.3Confident85.4Confident7 Ų770.2 Ų70.27%0.07239%0.392CS..SBendtrans76.133.3178.100000114.5S144 I163 T164S144-G146 PolarHBondContact OG-N 3.47Å; G146-I163 WeakPolarHBondContact O-CA 3.08Å; G146-T164 WeakPolarHBondContact CA-OG1 3.46Å; G146-T164 PolarHBondContact O-N 2.83Å; G146-T164 PolarHBondContact O-OG1 3.25Å
147F93.3Very high85.1Confident30 Ų3070.7 Ų70.713%0.13240%0.397CS..  trans-143.5160.3172.269.3-95.8000110.8L138 F145 L149 L160 I163 A169 V200 F209L138-F147 HydrophobicContact CD2-CD1 3.95Å; L138-F147 HydrophobicContact CD2-CE1 3.83Å; F145-F147 HydrophobicContact CB-CD1 3.47Å; F145-F147 VanDerWaalsContact CB-CD1 3.47Å; F145-F147 HydrophobicContact CB-CE1 3.2Å; F145-F147 HydrophobicContact CB-CZ 4.23Å; F145-F147 HydrophobicContact CD2-CE1 4.07Å; F145-F147 HydrophobicContact CD2-CZ 4.4Å; F145-F147 AromaticContact CG-CE1 3.82Å; F145-F147 HydrophobicContact CG-CE1 3.82Å; F147-L149 HydrophobicContact CD2-CD2 4.15Å; F147-L149 HydrophobicContact CD2-CG 4.3Å; F147-L149 HydrophobicContact CE2-CD1 4.44Å; F147-L149 HydrophobicContact CE2-CD2 3.75Å; F147-L149 HydrophobicContact CE2-CG 3.82Å; F147-L160 HydrophobicContact CD2-CD2 4.06Å; F147-L160 HydrophobicContact CD2-CG 4.22Å; F147-L160 HydrophobicContact CE2-CD2 4.46Å; F147-L160 HydrophobicContact CG-CD2 4.15Å; F147-I163 HydrophobicContact CB-CD1 3.62Å; F147-A169 HydrophobicContact CB-CB 4.04Å; F147-A169 HydrophobicContact CD1-CB 4.03Å; F147-V200 HydrophobicContact CZ-CG1 4.2Å; F147-F209 HydrophobicContact CD1-CE2 4.48Å; F147-F209 AromaticContact CE1-CE2 3.66Å; F147-F209 HydrophobicContact CE1-CE2 3.66Å; F147-F209 HydrophobicContact CE1-CZ 4.11Å; F147-F209 HydrophobicContact CE2-CE2 4.22Å; F147-F209 HydrophobicContact CE2-CZ 4.33Å; F147-F209 AromaticContact CZ-CE2 3.54Å; F147-F209 HydrophobicContact CZ-CE2 3.54Å; F147-F209 AromaticContact CZ-CZ 3.61Å; F147-F209 HydrophobicContact CZ-CZ 3.61Å
148S88.5Confident85.1Confident47 Ų4769.6 Ų69.633%0.32939%0.393SS..EExtended strand (participates in β ladder)trans-112.4144.6168.7-67.50000110.2L160 T161 D162S148-L160 CarbonylContact O-C 3.55Å; S148-L160 WeakPolarHBondContact O-CA 3.43Å; S148-T161 PolarHBondContact N-O 3.35Å; S148-T161 PolarHBondContact O-N 2.92Å; S148-T161 PolarHBondContact O-OG1 3.42Å; S148-D162 WeakPolarHBondContact CB-OD2 3.5Å; S148-D162 WeakPolarHBondContact OG-CB 3.4Å; S148-D162 PolarHBondContact OG-OD2 2.98Å
149L90.7Very high85.1Confident33 Ų3371.2 Ų71.217%0.17340%0.399CS..EExtended strand (participates in β ladder)trans-93.3138.7169.2-65.6173.9000109.5F147 V158 Y159 L160 L180 H193 V196 V197 V200F147-L149 HydrophobicContact CD2-CD2 4.15Å; F147-L149 HydrophobicContact CD2-CG 4.3Å; F147-L149 HydrophobicContact CE2-CD1 4.44Å; F147-L149 HydrophobicContact CE2-CD2 3.75Å; F147-L149 HydrophobicContact CE2-CG 3.82Å; L149-V158 HydrophobicContact CB-CG1 3.84Å; L149-V158 HydrophobicContact CD2-CG1 3.82Å; L149-V158 HydrophobicContact CG-CG1 4.25Å; L149-Y159 CarbonylContact C-O 3.45Å; L149-Y159 WeakPolarHBondContact CA-O 3.28Å; L149-L160 HydrophobicContact CD2-CD1 4.2Å; L149-L160 HydrophobicContact CD2-CG 4.1Å; L149-L180 HydrophobicContact CD2-CD2 4.23Å; L149-H193 PolarHBondContact O-CE1 2.92Å; L149-V196 HydrophobicContact CD1-CG1 4Å; L149-V197 HydrophobicContact CD1-CG2 3.81Å; L149-V200 HydrophobicContact CD1-CG2 4.41Å
150K88.3Confident85.1Confident102 Ų10268 Ų6844%0.44338%0.38SS..EExtended strand (participates in β ladder)trans-133.7138.6178.6-177.6179.3-179.4-179.90110.5I152 Y159 T161K150-I152 HydrophobicContact CD-CG1 4.42Å; K150-I152 HydrophobicContact CG-CG1 4.43Å; K150-Y159 PolarHBondContact N-O 3.44Å; K150-Y159 PolarHBondContact O-N 3.22Å; K150-T161 HydrophobicContact CB-CG2 3.96Å; K150-T161 HydrophobicContact CD-CG2 3.92Å
151T87.3Confident85.1Confident70 Ų7065.3 Ų65.343%0.42937%0.369SS..EExtended strand (participates in β ladder)trans-109135.7166.6-53.20000108.2H193T151-H193 WeakPolarHBondContact OG1-CB 3.31Å; T151-H193 PolarHBondContact OG1-ND1 3.18Å; T151-H193 VanDerWaalsContact OG1-ND1 3.12Å
152I79.9Confident85.2Confident47 Ų4765.3 Ų65.324%0.24137%0.373CS..  trans-105.3126.8-177.5-59.1168.1000108.3K150 G154 K155 Y159K150-I152 HydrophobicContact CD-CG1 4.42Å; K150-I152 HydrophobicContact CG-CG1 4.43Å; I152-G154 PolarHBondContact O-N 3.16Å; I152-K155 HydrophobicContact CB-CB 4.08Å; I152-K155 HydrophobicContact CB-CD 4.22Å; I152-K155 HydrophobicContact CB-CG 4.35Å; I152-K155 HydrophobicContact CD1-CD 4.17Å; I152-K155 HydrophobicContact CG2-CB 4.29Å; I152-K155 HydrophobicContact CG2-CD 3.92Å; I152-K155 HydrophobicContact CG2-CG 4.04Å; I152-K155 PolarHBondContact O-N 2.91Å; I152-K155 VanDerWaalsContact O-O 3.07Å; I152-Y159 HydrophobicContact CD1-CD2 3.97Å; I152-Y159 HydrophobicContact CD1-CE2 4.18Å; I152-Y159 HydrophobicContact CD1-CG 4.29Å; I152-Y159 HydrophobicContact CG1-CD2 4.21Å; I152-Y159 HydrophobicContact CG1-CE2 4.49Å
153Q73.6Confident85.5Confident199 Ų19963.3 Ų63.393%0.9335%0.347SS*.THydrogen-bonded Turntrans-57.6128.7179.3-166.9177.312.500110.6K155Q153-K155 PolarHBondContact O-N 2.79Å
154G70.6Confident85.6Confident89 Ų8959.3 Ų59.392%0.91833%0.328SS*.THydrogen-bonded Turntrans78.2-1.5-177.800000115.3I152I152-G154 PolarHBondContact O-N 3.16Å
155K75.6Confident85.5Confident122 Ų12261 Ų6153%0.5334%0.337SS..SBendtrans-111.6142169.6-63-171.4178.7-177.30110.3I152 Q153I152-K155 HydrophobicContact CB-CB 4.08Å; I152-K155 HydrophobicContact CB-CD 4.22Å; I152-K155 HydrophobicContact CB-CG 4.35Å; I152-K155 HydrophobicContact CD1-CD 4.17Å; I152-K155 HydrophobicContact CG2-CB 4.29Å; I152-K155 HydrophobicContact CG2-CD 3.92Å; I152-K155 HydrophobicContact CG2-CG 4.04Å; I152-K155 PolarHBondContact O-N 2.91Å; I152-K155 VanDerWaalsContact O-O 3.07Å; Q153-K155 PolarHBondContact O-N 2.79Å
156K76.4Confident85.2Confident139 Ų13967.6 Ų67.660%0.60437%0.368SS*.  trans-80.4147.7177.6-165.7179.2177.6-173.10110.4Y159 N190K156-Y159 PolarHBondContact O-OH 2.93Å; K156-N190 WeakPolarHBondContact CE-OD1 3.14Å; K156-N190 PolarHBondContact NZ-OD1 2.73Å
157G85.1Confident85.1Confident9 Ų967.8 Ų67.89%0.09337%0.37CS..SBendtrans86.5180174.500000115.2
158V90.6Very high84.9Confident2 Ų267 Ų671%0.01237%0.368CS..EExtended strand (participates in β ladder)trans-116.2142.1-178.2-178.90000109.4L149 H179 L180 V196L149-V158 HydrophobicContact CB-CG1 3.84Å; L149-V158 HydrophobicContact CD2-CG1 3.82Å; L149-V158 HydrophobicContact CG-CG1 4.25Å; V158-H179 PolarHBondContact O-CD2 2.94Å; V158-L180 VanDerWaalsContact O-CB 3.29Å; V158-L180 WeakPolarHBondContact O-CB 3.38Å; V158-L180 PolarHBondContact O-N 3.13Å; V158-V196 HydrophobicContact CB-CG1 4.39Å; V158-V196 HydrophobicContact CG1-CG1 4.3Å; V158-V196 HydrophobicContact CG2-CB 4.2Å; V158-V196 HydrophobicContact CG2-CG1 4.35Å; V158-V196 HydrophobicContact CG2-CG2 3.79Å
159Y91.3Very high85.1Confident33 Ų3364.8 Ų64.813%0.12935%0.352CS..EExtended strand (participates in β ladder)trans-122.1147.9-174.1-57.1-96.4000110.7L149 K150 I152 K156 D178 H179L149-Y159 CarbonylContact C-O 3.45Å; L149-Y159 WeakPolarHBondContact CA-O 3.28Å; K150-Y159 PolarHBondContact N-O 3.44Å; K150-Y159 PolarHBondContact O-N 3.22Å; I152-Y159 HydrophobicContact CD1-CD2 3.97Å; I152-Y159 HydrophobicContact CD1-CE2 4.18Å; I152-Y159 HydrophobicContact CD1-CG 4.29Å; I152-Y159 HydrophobicContact CG1-CD2 4.21Å; I152-Y159 HydrophobicContact CG1-CE2 4.49Å; K156-Y159 PolarHBondContact O-OH 2.93Å; Y159-D178 CarbonylContact C-O 3.54Å; Y159-D178 VanDerWaalsContact CA-O 3.22Å; Y159-D178 WeakPolarHBondContact CA-O 3.4Å; Y159-H179 HydrophobicContact CD1-CB 4.01Å; Y159-H179 HydrophobicContact CE1-CB 3.84Å; Y159-H179 AromaticContact CE1-CD2 3.6Å; Y159-H179 AromaticContact CE1-CG 3.76Å; Y159-H179 AromaticContact CZ-CD2 3.7Å
160L91.8Very high84.9Confident0 Ų067.4 Ų67.40%037%0.365CS..EExtended strand (participates in β ladder)trans-92.1131.6176.2-7377.4000109.9F147 S148 L149 I163 V174 D177 D178 L180 F209 L211F147-L160 HydrophobicContact CD2-CD2 4.06Å; F147-L160 HydrophobicContact CD2-CG 4.22Å; F147-L160 HydrophobicContact CE2-CD2 4.46Å; F147-L160 HydrophobicContact CG-CD2 4.15Å; S148-L160 CarbonylContact O-C 3.55Å; S148-L160 WeakPolarHBondContact O-CA 3.43Å; L149-L160 HydrophobicContact CD2-CD1 4.2Å; L149-L160 HydrophobicContact CD2-CG 4.1Å; L160-I163 HydrophobicContact CB-CD1 4.33Å; L160-V174 HydrophobicContact CB-CG1 4.06Å; L160-V174 HydrophobicContact CD2-CG1 3.42Å; L160-V174 VanDerWaalsContact CD2-CG1 3.42Å; L160-V174 HydrophobicContact CD2-CG2 4.42Å; L160-V174 HydrophobicContact CG-CG1 4.35Å; L160-D177 WeakPolarHBondContact O-CA 3.46Å; L160-D177 PolarHBondContact O-N 2.9Å; L160-D178 HydrophobicContact CB-CB 4.43Å; L160-D178 PolarHBondContact N-O 2.89Å; L160-L180 HydrophobicContact CD1-CB 3.76Å; L160-L180 HydrophobicContact CD1-CD1 4.33Å; L160-L180 HydrophobicContact CD1-CD2 4.45Å; L160-L180 HydrophobicContact CD1-CG 4.4Å; L160-F209 HydrophobicContact CD2-CD2 3.95Å; L160-F209 HydrophobicContact CD2-CE2 3.93Å; L160-L211 HydrophobicContact CD1-CD2 3.6Å; L160-L211 HydrophobicContact CD2-CD1 4.14Å; L160-L211 HydrophobicContact CD2-CD2 4.3Å
161T89.6Confident84.8Confident16 Ų1669 Ų6910%0.09837%0.372CS..EExtended strand (participates in β ladder)trans-138.9174.8-175.751.50000109.9S148 K150 I163S148-T161 PolarHBondContact N-O 3.35Å; S148-T161 PolarHBondContact O-N 2.92Å; S148-T161 PolarHBondContact O-OG1 3.42Å; K150-T161 HydrophobicContact CB-CG2 3.96Å; K150-T161 HydrophobicContact CD-CG2 3.92Å; T161-I163 VanDerWaalsContact C-N 3.31Å; T161-I163 PolarHBondContact O-N 3.35Å
162D86.6Confident84.7Confident118 Ų11866.1 Ų66.163%0.63136%0.355SS*.  trans4947.9177.3-52.4-35.3000114S148 T164S148-D162 WeakPolarHBondContact CB-OD2 3.5Å; S148-D162 WeakPolarHBondContact OG-CB 3.4Å; S148-D162 PolarHBondContact OG-OD2 2.98Å; D162-T164 PolarHBondContact O-N 3.5Å; D162-T164 VanDerWaalsContact O-N 3.16Å
163I90.3Very high85Confident25 Ų2564.5 Ų64.513%0.12835%0.35CS..PPolyproline II helixtrans-67.8117.3-179.9-50.4-54.3000109.2G146 F147 L160 T161 P165 A169 M170 V174 A176G146-I163 WeakPolarHBondContact O-CA 3.08Å; F147-I163 HydrophobicContact CB-CD1 3.62Å; L160-I163 HydrophobicContact CB-CD1 4.33Å; T161-I163 VanDerWaalsContact C-N 3.31Å; T161-I163 PolarHBondContact O-N 3.35Å; I163-P165 WeakPolarHBondContact O-CD 3.25Å; I163-A169 HydrophobicContact CD1-CB 4.48Å; I163-A169 HydrophobicContact CG2-CB 4.17Å; I163-M170 HydrophobicContact CG2-CB 3.83Å; I163-M170 HydrophobicContact CG2-CE 4.18Å; I163-V174 HydrophobicContact CD1-CG1 3.64Å; I163-V174 HydrophobicContact CG1-CG1 4.45Å; I163-A176 HydrophobicContact CG1-CB 4.35Å
164T84.4Confident85.8Confident70 Ų7055.2 Ų55.243%0.42931%0.307SS..PPolyproline II helixtrans-68.2124.7-179-56.70000109.7G146 D162 Q166 G167G146-T164 WeakPolarHBondContact CA-OG1 3.46Å; G146-T164 PolarHBondContact O-N 2.83Å; G146-T164 PolarHBondContact O-OG1 3.25Å; D162-T164 PolarHBondContact O-N 3.5Å; D162-T164 VanDerWaalsContact O-N 3.16Å; T164-Q166 PolarHBondContact O-N 2.83Å; T164-G167 WeakPolarHBondContact O-CA 3.28Å; T164-G167 PolarHBondContact O-N 2.91Å
165P85.5Confident86.7Confident102 Ų10255.1 Ų55.166%0.66229%0.285SS*.THydrogen-bonded Turntrans-55.1131.5176.5-26.735.3000111.9I163 G167I163-P165 WeakPolarHBondContact O-CD 3.25Å; P165-G167 PolarHBondContact O-N 3.18Å
166Q82.7Confident87.2Confident159 Ų15952.5 Ų52.574%0.74329%0.286SS*.THydrogen-bonded Turntrans58.68.6-175.1-51.1-1798.200115T164 M170 K171T164-Q166 PolarHBondContact O-N 2.83Å; Q166-M170 PolarHBondContact N-SD 2.95Å; Q166-M170 VanDerWaalsContact N-SD 3.36Å; Q166-K171 WeakPolarHBondContact O-CE 3.17Å; Q166-K171 PolarHBondContact O-NZ 3.16Å
167G84.4Confident87.8Confident12 Ų1248.8 Ų48.812%0.12427%0.273CS..SBendtrans-73.5172.3176.100000112.6T164 P165 A169 M170 K171T164-G167 WeakPolarHBondContact O-CA 3.28Å; T164-G167 PolarHBondContact O-N 2.91Å; P165-G167 PolarHBondContact O-N 3.18Å; G167-A169 VanDerWaalsContact C-N 3.34Å; G167-A169 PolarHBondContact O-N 2.81Å; G167-M170 PolarHBondContact O-N 3.3Å; G167-K171 WeakPolarHBondContact O-CG 3.45Å; G167-K171 PolarHBondContact O-N 3.11Å
168V90.9Very high88.1Confident13 Ų1348.4 Ų48.48%0.07927%0.269CS..Hα-helixtrans-53.5-48.9-178.61750000111.8L138 V139 E141 F145 M170 K171 A172L138-V168 HydrophobicContact CB-CG1 3.88Å; L138-V168 HydrophobicContact CD2-CG1 4.38Å; L138-V168 HydrophobicContact CG-CG1 4.33Å; V139-V168 WeakPolarHBondContact O-CG1 3.31Å; V139-V168 VanDerWaalsContact O-CG2 3.28Å; V139-V168 WeakPolarHBondContact O-CG2 3.32Å; E141-V168 HydrophobicContact CB-CG2 3.63Å; E141-V168 HydrophobicContact CG-CG2 3.54Å; F145-V168 HydrophobicContact CD1-CG1 4.44Å; F145-V168 WeakPolarHBondContact O-CB 3.46Å; V168-M170 PolarHBondContact O-N 2.87Å; V168-K171 PolarHBondContact O-N 3.18Å; V168-A172 WeakPolarHBondContact O-CB 3.21Å; V168-A172 PolarHBondContact O-N 2.63Å
169A90.7Very high88.1Confident0 Ų049.3 Ų49.30%027%0.272CS..Hα-helixtrans-57.5-48.5179.500000112.6L138 F145 F147 I163 G167 K171 A172 G173 V174L138-A169 HydrophobicContact CD2-CB 3.95Å; F145-A169 VanDerWaalsContact O-CB 3.31Å; F145-A169 WeakPolarHBondContact O-CB 3.42Å; F145-A169 PolarHBondContact O-N 2.89Å; F147-A169 HydrophobicContact CB-CB 4.04Å; F147-A169 HydrophobicContact CD1-CB 4.03Å; I163-A169 HydrophobicContact CD1-CB 4.48Å; I163-A169 HydrophobicContact CG2-CB 4.17Å; G167-A169 VanDerWaalsContact C-N 3.34Å; G167-A169 PolarHBondContact O-N 2.81Å; A169-K171 PolarHBondContact O-N 3.35Å; A169-A172 PolarHBondContact O-N 2.94Å; A169-G173 PolarHBondContact O-N 2.83Å; A169-V174 HydrophobicContact CB-CB 3.98Å; A169-V174 HydrophobicContact CB-CG1 4.39Å; A169-V174 HydrophobicContact CB-CG2 4.07Å; A169-V174 VanDerWaalsContact O-CB 3.24Å; A169-V174 WeakPolarHBondContact O-CB 3.46Å; A169-V174 WeakPolarHBondContact O-CG2 3.19Å; A169-V174 PolarHBondContact O-N 3.06Å
170M87.6Confident88.2Confident88 Ų8847.7 Ų47.743%0.43327%0.266SS..Hα-helixtrans-62.2-44.8179.3-174.9174.7-75.700111.7I163 Q166 G167 V168 A172 G173I163-M170 HydrophobicContact CG2-CB 3.83Å; I163-M170 HydrophobicContact CG2-CE 4.18Å; Q166-M170 PolarHBondContact N-SD 2.95Å; Q166-M170 VanDerWaalsContact N-SD 3.36Å; G167-M170 PolarHBondContact O-N 3.3Å; V168-M170 PolarHBondContact O-N 2.87Å; M170-A172 PolarHBondContact O-N 2.87Å; M170-G173 PolarHBondContact O-N 3.3Å
171K86Confident88.1Confident136 Ų13647.9 Ų47.959%0.59127%0.267SS*.Hα-helixtrans-62.4-33.1177.1-71.3171.5177.6160.50112.3E141 Q166 G167 V168 A169 G173E141-K171 IonicContact OE1-NZ 2.87Å; E141-K171 IonicContact OE2-NZ 2.86Å; Q166-K171 WeakPolarHBondContact O-CE 3.17Å; Q166-K171 PolarHBondContact O-NZ 3.16Å; G167-K171 WeakPolarHBondContact O-CG 3.45Å; G167-K171 PolarHBondContact O-N 3.11Å; V168-K171 PolarHBondContact O-N 3.18Å; A169-K171 PolarHBondContact O-N 3.35Å; K171-G173 PolarHBondContact O-N 3.44Å
172A85.8Confident88.2Confident9 Ų948 Ų487%0.07427%0.267CS..THydrogen-bonded Turntrans-78.1-1.9176.300000113.7C136 Y137 L138 V168 A169 M170C136-A172 HydrophobicContact CB-CB 4.45Å; C136-A172 WeakPolarHBondContact CB-O 3.03Å; C136-A172 PolarHBondContact SG-O 2.9Å; Y137-A172 WeakPolarHBondContact O-CB 3.42Å; L138-A172 HydrophobicContact CD1-CB 4.28Å; L138-A172 HydrophobicContact CG-CB 3.83Å; V168-A172 WeakPolarHBondContact O-CB 3.21Å; V168-A172 PolarHBondContact O-N 2.63Å; A169-A172 PolarHBondContact O-N 2.94Å; M170-A172 PolarHBondContact O-N 2.87Å
173G86.5Confident88.4Confident14 Ų1442.5 Ų42.514%0.14424%0.237CC..THydrogen-bonded Turntrans84.518.6178.300000115R134 A169 M170 K171R134-G173 PolarHBondContact NE-O 2.91Å; A169-G173 PolarHBondContact O-N 2.83Å; M170-G173 PolarHBondContact O-N 3.3Å; K171-G173 PolarHBondContact O-N 3.44Å
174V90.6Very high88.3Confident3 Ų343 Ų432%0.01824%0.24CC..  trans-72.2129.8169.8-179.10000109.5C136 L138 L160 I163 A169 L211C136-V174 HydrophobicContact CB-CG2 4.09Å; L138-V174 HydrophobicContact CD1-CG2 4.25Å; L138-V174 HydrophobicContact CD2-CG2 4.21Å; L160-V174 HydrophobicContact CB-CG1 4.06Å; L160-V174 HydrophobicContact CD2-CG1 3.42Å; L160-V174 VanDerWaalsContact CD2-CG1 3.42Å; L160-V174 HydrophobicContact CD2-CG2 4.42Å; L160-V174 HydrophobicContact CG-CG1 4.35Å; I163-V174 HydrophobicContact CD1-CG1 3.64Å; I163-V174 HydrophobicContact CG1-CG1 4.45Å; A169-V174 HydrophobicContact CB-CB 3.98Å; A169-V174 HydrophobicContact CB-CG1 4.39Å; A169-V174 HydrophobicContact CB-CG2 4.07Å; A169-V174 VanDerWaalsContact O-CB 3.24Å; A169-V174 WeakPolarHBondContact O-CB 3.46Å; A169-V174 WeakPolarHBondContact O-CG2 3.19Å; A169-V174 PolarHBondContact O-N 3.06Å; V174-L211 HydrophobicContact CB-CD1 4.12Å; V174-L211 HydrophobicContact CG1-CD1 3.87Å; V174-L211 HydrophobicContact CG2-CD1 3.74Å
175L88.5Confident88.3Confident88 Ų8839.9 Ų39.946%0.46122%0.222SC..  trans-105.2158.3174.4-54.5-178.9000111.1R134 D178R134-L175 VanDerWaalsContact NH1-CD1 3.29Å; R134-L175 VanDerWaalsContact NH2-CD1 3.33Å; R134-L175 VanDerWaalsContact NH2-CG 3.28Å; L175-D178 PolarHBondContact N-OD2 2.97Å; L175-D178 WeakPolarHBondContact O-CB 3.4Å; L175-D178 PolarHBondContact O-N 2.81Å
176A86.9Confident88.3Confident66 Ų6639 Ų3955%0.54521%0.209SC..THydrogen-bonded Turntrans-66.4142.9171.400000110.2I163 D178I163-A176 HydrophobicContact CG1-CB 4.35Å; A176-D178 PolarHBondContact O-N 2.86Å
177D88.1Confident88.6Confident62 Ų6234 Ų3433%0.33219%0.188SC..THydrogen-bonded Turntrans64.316.2-174.4-63.8-25.6000114.8L160 H179 K214L160-D177 WeakPolarHBondContact O-CA 3.46Å; L160-D177 PolarHBondContact O-N 2.9Å; D177-H179 PolarHBondContact O-N 3.18Å; D177-K214 HydrophobicContact CB-CD 4.28Å; D177-K214 IonicContact OD2-NZ 2.84Å
178D91.6Very high88.8Confident1 Ų133.5 Ų33.51%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-61.6130.6172-87.5-9.7000110.7R134 Y159 L160 L175 A176 L211 D213R134-D178 IonicContact CZ-OD1 2.74Å; R134-D178 IonicContact CZ-OD2 3.14Å; R134-D178 IonicContact NH2-OD1 3.41Å; R134-D178 PolarHBondContact NH2-OD1 3.26Å; R134-D178 IonicContact NH2-OD2 2.67Å; R134-D178 PolarHBondContact NH2-OD2 3.05Å; Y159-D178 CarbonylContact C-O 3.54Å; Y159-D178 VanDerWaalsContact CA-O 3.22Å; Y159-D178 WeakPolarHBondContact CA-O 3.4Å; L160-D178 HydrophobicContact CB-CB 4.43Å; L160-D178 PolarHBondContact N-O 2.89Å; L175-D178 PolarHBondContact N-OD2 2.97Å; L175-D178 WeakPolarHBondContact O-CB 3.4Å; L175-D178 PolarHBondContact O-N 2.81Å; A176-D178 PolarHBondContact O-N 2.86Å; D178-L211 HydrophobicContact CB-CB 4.21Å; D178-L211 HydrophobicContact CB-CD1 4.17Å; D178-L211 HydrophobicContact CB-CD2 4.37Å; D178-L211 HydrophobicContact CB-CG 4.49Å; D178-L211 WeakPolarHBondContact OD2-CD1 3.44Å; D178-D213 WeakPolarHBondContact OD1-CA 3.49Å
179H91Very high88.6Confident20 Ų2035 Ų359%0.09319%0.189CC..EExtended strand (participates in β ladder)trans-81.2124173.7-170.4-155.7000109.8V158 Y159 D177 I181 L211 V212 A217V158-H179 PolarHBondContact O-CD2 2.94Å; Y159-H179 HydrophobicContact CD1-CB 4.01Å; Y159-H179 HydrophobicContact CE1-CB 3.84Å; Y159-H179 AromaticContact CE1-CD2 3.6Å; Y159-H179 AromaticContact CE1-CG 3.76Å; Y159-H179 AromaticContact CZ-CD2 3.7Å; D177-H179 PolarHBondContact O-N 3.18Å; H179-I181 PolarHBondContact O-N 3.46Å; H179-L211 WeakPolarHBondContact O-CA 3.46Å; H179-V212 PolarHBondContact N-O 3.23Å; H179-V212 PolarHBondContact O-N 3.32Å; H179-A217 HydrophobicContact CB-CB 4.19Å
180L92.4Very high88.3Confident0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-83.5110.2-179.7-177.160.1000110.8L149 V158 L160 E182 V183 V188 V196 F209 L211L149-L180 HydrophobicContact CD2-CD2 4.23Å; V158-L180 VanDerWaalsContact O-CB 3.29Å; V158-L180 WeakPolarHBondContact O-CB 3.38Å; V158-L180 PolarHBondContact O-N 3.13Å; L160-L180 HydrophobicContact CD1-CB 3.76Å; L160-L180 HydrophobicContact CD1-CD1 4.33Å; L160-L180 HydrophobicContact CD1-CD2 4.45Å; L160-L180 HydrophobicContact CD1-CG 4.4Å; L180-E182 WeakPolarHBondContact CD1-O 3.35Å; L180-V183 HydrophobicContact CD1-CG2 4.09Å; L180-V183 HydrophobicContact CD2-CG2 3.8Å; L180-V183 HydrophobicContact CG-CG2 4.2Å; L180-V188 HydrophobicContact CD2-CG2 4.09Å; L180-V188 HydrophobicContact CG-CG2 3.8Å; L180-V196 HydrophobicContact CD2-CG1 3.57Å; L180-F209 HydrophobicContact CD1-CB 3.95Å; L180-F209 HydrophobicContact CD1-CD1 3.64Å; L180-F209 HydrophobicContact CD1-CD2 4.47Å; L180-F209 HydrophobicContact CD1-CE1 4.22Å; L180-F209 HydrophobicContact CD1-CG 3.79Å; L180-L211 HydrophobicContact CB-CD2 4.22Å; L180-L211 HydrophobicContact CD1-CD2 3.55Å; L180-L211 HydrophobicContact CG-CD2 4.49Å
181I90.3Very high88.2Confident3 Ų340.9 Ų40.92%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-90.9-44.7179.9-50.5-54.2000110.4H179 N187 V188 E189 L210 V212 F227H179-I181 PolarHBondContact O-N 3.46Å; I181-N187 WeakPolarHBondContact O-CA 3.47Å; I181-V188 PolarHBondContact O-N 3.35Å; I181-E189 HydrophobicContact CB-CG 4.45Å; I181-E189 HydrophobicContact CD1-CG 4.02Å; I181-E189 HydrophobicContact CG2-CG 4.07Å; I181-L210 HydrophobicContact CB-CB 4.41Å; I181-L210 HydrophobicContact CB-CD2 4.29Å; I181-L210 HydrophobicContact CB-CG 4.31Å; I181-L210 WeakPolarHBondContact CB-O 3.28Å; I181-L210 HydrophobicContact CG2-CD2 4.16Å; I181-L210 PolarHBondContact N-O 3.36Å; I181-V212 HydrophobicContact CD1-CB 4.44Å; I181-V212 HydrophobicContact CD1-CG2 4.1Å; I181-V212 HydrophobicContact CG1-CB 4.27Å; I181-V212 HydrophobicContact CG1-CG2 3.58Å; I181-F227 HydrophobicContact CD1-CD2 4.26Å; I181-F227 HydrophobicContact CD1-CE2 4.33Å; I181-F227 HydrophobicContact CG1-CD2 4.5Å
182E90.7Very high88.3Confident19 Ų1936.7 Ų36.79%0.08920%0.203CC..EExtended strand (participates in β ladder)trans-141.3149.9-175.8-48.2-174.3144.100113.6L180 E186 N187 F209 L210 R229L180-E182 WeakPolarHBondContact CD1-O 3.35Å; E182-E186 CarbonylContact C-O 3.37Å; E182-E186 WeakPolarHBondContact CA-O 3.26Å; E182-E186 WeakPolarHBondContact CB-O 3.33Å; E182-N187 HydrophobicContact CG-CB 4.5Å; E182-F209 WeakPolarHBondContact O-CA 3.48Å; E182-L210 HydrophobicContact CB-CB 3.71Å; E182-L210 HydrophobicContact CG-CB 3.84Å; E182-L210 HydrophobicContact CG-CD2 3.8Å; E182-L210 HydrophobicContact CG-CG 4.43Å; E182-L210 PolarHBondContact N-O 3.03Å; E182-L210 PolarHBondContact O-N 3.36Å; E182-R229 IonicContact OE1-CZ 3.22Å; E182-R229 IonicContact OE1-NE 3.34Å; E182-R229 PolarHBondContact OE1-NE 3.02Å; E182-R229 IonicContact OE1-NH2 3.29Å; E182-R229 PolarHBondContact OE1-NH2 3.01Å; E182-R229 IonicContact OE2-CZ 2.64Å; E182-R229 IonicContact OE2-NE 3.88Å; E182-R229 PolarHBondContact OE2-NE 3.14Å; E182-R229 IonicContact OE2-NH2 2.64Å; E182-R229 PolarHBondContact OE2-NH2 2.93Å
183V91.5Very high88.3Confident3 Ų339 Ų392%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-124.2120.9171-178.40000108.5L180 G185 E186 V188 K199 V200 V207 M208 F209L180-V183 HydrophobicContact CD1-CG2 4.09Å; L180-V183 HydrophobicContact CD2-CG2 3.8Å; L180-V183 HydrophobicContact CG-CG2 4.2Å; V183-G185 PolarHBondContact O-N 2.85Å; V183-G185 VanDerWaalsContact O-N 3.16Å; V183-E186 PolarHBondContact N-O 3.42Å; V183-E186 PolarHBondContact O-N 2.98Å; V183-V188 HydrophobicContact CB-CG1 4.26Å; V183-V188 HydrophobicContact CG2-CG1 4.04Å; V183-V188 HydrophobicContact CG2-CG2 4.01Å; V183-K199 HydrophobicContact CG1-CB 4.3Å; V183-V200 HydrophobicContact CG1-CG2 4.19Å; V183-V200 HydrophobicContact CG2-CG2 4.27Å; V183-V207 HydrophobicContact CG1-CG2 3.78Å; V183-M208 CarbonylContact C-O 3.49Å; V183-M208 WeakPolarHBondContact CA-O 3.15Å; V183-F209 HydrophobicContact CB-CD1 4.44Å; V183-F209 HydrophobicContact CB-CE1 4.38Å; V183-F209 HydrophobicContact CG1-CD1 4.36Å; V183-F209 HydrophobicContact CG1-CE1 3.98Å; V183-F209 HydrophobicContact CG2-CD1 3.98Å; V183-F209 HydrophobicContact CG2-CE1 3.82Å
184N89.1Confident88.3Confident34 Ų3444.1 Ų44.118%0.18223%0.232CC..THydrogen-bonded Turntrans50.937.9179.7-62.9-24.8000113.6M208 L330N184-M208 PolarHBondContact N-O 2.78Å; N184-M208 PolarHBondContact OD1-N 2.69Å; N184-L330 HydrophobicContact CB-CD1 4.02Å
185G83.9Confident88.3Confident6 Ų647.3 Ų47.36%0.06225%0.249CC..THydrogen-bonded Turntrans79.213.6178.900000115.2V183 R229 R332V183-G185 PolarHBondContact O-N 2.85Å; V183-G185 VanDerWaalsContact O-N 3.16Å; G185-R229 PolarHBondContact O-NH2 2.92Å; G185-R332 PolarHBondContact O-NH1 3.16Å
186E86.1Confident88.4Confident83 Ų8343.1 Ų43.139%0.38823%0.227SC..EExtended strand (participates in β ladder)trans-111.4128.7171.7-63.3-178.3176.100110.4E182 V183 K199E182-E186 CarbonylContact C-O 3.37Å; E182-E186 WeakPolarHBondContact CA-O 3.26Å; E182-E186 WeakPolarHBondContact CB-O 3.33Å; V183-E186 PolarHBondContact N-O 3.42Å; V183-E186 PolarHBondContact O-N 2.98Å; E186-K199 IonicContact OE2-NZ 3.78Å; E186-K199 PolarHBondContact OE2-NZ 2.84Å
187N87.8Confident88.5Confident54 Ų5441.5 Ų41.529%0.28921%0.211SC..EExtended strand (participates in β ladder)trans-68.6130.7177.3-177.5-71.9000111I181 E182 E189 Y191I181-N187 WeakPolarHBondContact O-CA 3.47Å; E182-N187 HydrophobicContact CG-CB 4.5Å; N187-E189 PolarHBondContact ND2-OE2 2.79Å; N187-E189 PolarHBondContact OD1-N 3.34Å; N187-Y191 WeakPolarHBondContact O-CE1 3.35Å
188V89.5Confident88.6Confident1 Ų144.8 Ų44.81%0.00622%0.224CC..  trans-122.38.6-175.4-61.60000114.2L180 I181 V183 N190 Y191 V196 K199L180-V188 HydrophobicContact CD2-CG2 4.09Å; L180-V188 HydrophobicContact CG-CG2 3.8Å; I181-V188 PolarHBondContact O-N 3.35Å; V183-V188 HydrophobicContact CB-CG1 4.26Å; V183-V188 HydrophobicContact CG2-CG1 4.04Å; V183-V188 HydrophobicContact CG2-CG2 4.01Å; V188-N190 PolarHBondContact O-N 2.64Å; V188-N190 VanDerWaalsContact O-N 3.07Å; V188-Y191 HydrophobicContact CB-CD1 4.25Å; V188-Y191 HydrophobicContact CB-CG 4.25Å; V188-Y191 HydrophobicContact CG1-CD1 4.5Å; V188-Y191 HydrophobicContact CG1-CG 4.42Å; V188-Y191 WeakPolarHBondContact O-CB 3.42Å; V188-Y191 PolarHBondContact O-N 3.22Å; V188-V196 HydrophobicContact CB-CG2 3.98Å; V188-V196 HydrophobicContact CG2-CG2 4.35Å; V188-K199 HydrophobicContact CG1-CD 3.77Å
189E86Confident88.6Confident46 Ų4646.9 Ų46.922%0.21523%0.233CC..THydrogen-bonded Turntrans-62.3-22.9-175.6-65.4179.289.200113.8I181 N187I181-E189 HydrophobicContact CB-CG 4.45Å; I181-E189 HydrophobicContact CD1-CG 4.02Å; I181-E189 HydrophobicContact CG2-CG 4.07Å; N187-E189 PolarHBondContact ND2-OE2 2.79Å; N187-E189 PolarHBondContact OD1-N 3.34Å
190N83.6Confident88.7Confident114 Ų11446.5 Ų46.561%0.6123%0.232SC*.THydrogen-bonded Turntrans-102.31179.2-61.5-59.2000113.8K156 V188K156-N190 WeakPolarHBondContact CE-OD1 3.14Å; K156-N190 PolarHBondContact NZ-OD1 2.73Å; V188-N190 PolarHBondContact O-N 2.64Å; V188-N190 VanDerWaalsContact O-N 3.07Å
191Y87.3Confident88.5Confident97 Ų9753.9 Ų53.938%0.3826%0.264SS..SBendtrans-84.2156.3-173.1-78.558.6000111N187 V188 D195 K199N187-Y191 WeakPolarHBondContact O-CE1 3.35Å; V188-Y191 HydrophobicContact CB-CD1 4.25Å; V188-Y191 HydrophobicContact CB-CG 4.25Å; V188-Y191 HydrophobicContact CG1-CD1 4.5Å; V188-Y191 HydrophobicContact CG1-CG 4.42Å; V188-Y191 WeakPolarHBondContact O-CB 3.42Å; V188-Y191 PolarHBondContact O-N 3.22Å; Y191-D195 HydrophobicContact CD2-CB 3.75Å; Y191-K199 HydrophobicContact CD2-CD 4.42Å; Y191-K199 HydrophobicContact CE2-CD 4.26Å
192S86.8Confident88.5Confident48 Ų4862.8 Ų62.834%0.33630%0.303SS..  trans-69.3162.8170.673.10000110.9E194 D195 V196S192-E194 PolarHBondContact O-N 3.22Å; S192-D195 WeakPolarHBondContact CB-OD2 3.5Å; S192-D195 PolarHBondContact N-OD2 3.1Å; S192-D195 PolarHBondContact O-N 3.2Å; S192-D195 PolarHBondContact OG-N 3.27Å; S192-D195 VanDerWaalsContact OG-N 3.13Å; S192-D195 PolarHBondContact OG-OD2 2.96Å; S192-V196 VanDerWaalsContact O-CG2 3.25Å; S192-V196 WeakPolarHBondContact O-CG2 3.2Å; S192-V196 PolarHBondContact O-N 2.95Å; S192-V196 VanDerWaalsContact O-N 3.15Å
193H86.4Confident88.2Confident57 Ų5762.9 Ų62.926%0.26431%0.309SS..Hα-helixtrans-57-44.8175.9-177.980.6000110.8L149 T151 V196 V197L149-H193 PolarHBondContact O-CE1 2.92Å; T151-H193 WeakPolarHBondContact OG1-CB 3.31Å; T151-H193 PolarHBondContact OG1-ND1 3.18Å; T151-H193 VanDerWaalsContact OG1-ND1 3.12Å; H193-V196 PolarHBondContact O-N 2.92Å; H193-V197 VanDerWaalsContact O-CG2 3.29Å; H193-V197 WeakPolarHBondContact O-CG2 3.44Å; H193-V197 PolarHBondContact O-N 3.19Å
194E86.7Confident88.1Confident121 Ų12164.7 Ų64.757%0.56533%0.328SS*.Hα-helixtrans-62.5-46.5-179.4-68.567.7-150.300111.4S192 V196 V197 E198S192-E194 PolarHBondContact O-N 3.22Å; E194-V196 VanDerWaalsContact C-N 3.31Å; E194-V196 PolarHBondContact O-N 2.95Å; E194-V197 WeakPolarHBondContact O-CB 3.24Å; E194-V197 PolarHBondContact O-N 3.15Å; E194-E198 WeakPolarHBondContact O-CG 3.19Å; E194-E198 PolarHBondContact O-N 3.33Å
195D89.8Confident88.2Confident70 Ų7066.2 Ų66.237%0.37434%0.341SS..Hα-helixtrans-64.1-37.8-179.9-59.6-45.9000112Y191 S192 E198 K199Y191-D195 HydrophobicContact CD2-CB 3.75Å; S192-D195 WeakPolarHBondContact CB-OD2 3.5Å; S192-D195 PolarHBondContact N-OD2 3.1Å; S192-D195 PolarHBondContact O-N 3.2Å; S192-D195 PolarHBondContact OG-N 3.27Å; S192-D195 VanDerWaalsContact OG-N 3.13Å; S192-D195 PolarHBondContact OG-OD2 2.96Å; D195-E198 PolarHBondContact O-N 2.83Å; D195-K199 WeakPolarHBondContact O-CG 3.42Å; D195-K199 PolarHBondContact O-N 3.49Å
196V90.3Very high88.5Confident0 Ų071.1 Ų71.10%036%0.358CS..Hα-helixtrans-64.7-45.6176.2174.40000109.8L149 V158 L180 V188 S192 H193 E194 E198 K199 V200L149-V196 HydrophobicContact CD1-CG1 4Å; V158-V196 HydrophobicContact CB-CG1 4.39Å; V158-V196 HydrophobicContact CG1-CG1 4.3Å; V158-V196 HydrophobicContact CG2-CB 4.2Å; V158-V196 HydrophobicContact CG2-CG1 4.35Å; V158-V196 HydrophobicContact CG2-CG2 3.79Å; L180-V196 HydrophobicContact CD2-CG1 3.57Å; V188-V196 HydrophobicContact CB-CG2 3.98Å; V188-V196 HydrophobicContact CG2-CG2 4.35Å; S192-V196 VanDerWaalsContact O-CG2 3.25Å; S192-V196 WeakPolarHBondContact O-CG2 3.2Å; S192-V196 PolarHBondContact O-N 2.95Å; S192-V196 VanDerWaalsContact O-N 3.15Å; H193-V196 PolarHBondContact O-N 2.92Å; E194-V196 VanDerWaalsContact C-N 3.31Å; E194-V196 PolarHBondContact O-N 2.95Å; V196-E198 VanDerWaalsContact C-N 3.32Å; V196-E198 PolarHBondContact O-N 3.13Å; V196-K199 PolarHBondContact O-N 2.94Å; V196-V200 WeakPolarHBondContact O-CG2 3.29Å; V196-V200 PolarHBondContact O-N 2.89Å
197V88.7Confident88.8Confident33 Ų3367.1 Ų67.120%0.234%0.339CS..Hα-helixtrans-59.1-43.4175.8169.70000111L149 H193 E194 V200 K201L149-V197 HydrophobicContact CD1-CG2 3.81Å; H193-V197 VanDerWaalsContact O-CG2 3.29Å; H193-V197 WeakPolarHBondContact O-CG2 3.44Å; H193-V197 PolarHBondContact O-N 3.19Å; E194-V197 WeakPolarHBondContact O-CB 3.24Å; E194-V197 PolarHBondContact O-N 3.15Å; V197-V200 PolarHBondContact O-N 2.88Å; V197-K201 HydrophobicContact CG1-CD 3.98Å; V197-K201 HydrophobicContact CG1-CG 4.46Å; V197-K201 WeakPolarHBondContact O-CB 3.46Å; V197-K201 VanDerWaalsContact O-CG 3.3Å; V197-K201 WeakPolarHBondContact O-CG 3.45Å; V197-K201 PolarHBondContact O-N 2.96Å
198E91.9Very high89Confident131 Ų13164.7 Ų64.761%0.61233%0.326SS*.Hα-helixtrans-62.7-42.7176.7-74.2-168.2172.200112.4E194 D195 V196 K201 K202E194-E198 WeakPolarHBondContact O-CG 3.19Å; E194-E198 PolarHBondContact O-N 3.33Å; D195-E198 PolarHBondContact O-N 2.83Å; V196-E198 VanDerWaalsContact C-N 3.32Å; V196-E198 PolarHBondContact O-N 3.13Å; E198-K201 PolarHBondContact O-N 2.9Å; E198-K202 WeakPolarHBondContact O-CB 3.47Å; E198-K202 PolarHBondContact O-N 3.49Å
199K91.8Very high89.1Confident45 Ų4564.6 Ų64.620%0.19633%0.326CS..Hα-helixtrans-62-43.8175.3-76.8-177-174.5-68.90112.5V183 E186 V188 Y191 D195 V196 K201 K202 G203V183-K199 HydrophobicContact CG1-CB 4.3Å; E186-K199 IonicContact OE2-NZ 3.78Å; E186-K199 PolarHBondContact OE2-NZ 2.84Å; V188-K199 HydrophobicContact CG1-CD 3.77Å; Y191-K199 HydrophobicContact CD2-CD 4.42Å; Y191-K199 HydrophobicContact CE2-CD 4.26Å; D195-K199 WeakPolarHBondContact O-CG 3.42Å; D195-K199 PolarHBondContact O-N 3.49Å; V196-K199 PolarHBondContact O-N 2.94Å; K199-K201 VanDerWaalsContact C-N 3.35Å; K199-K202 PolarHBondContact O-N 2.95Å; K199-G203 PolarHBondContact O-N 3.43Å; K199-G203 VanDerWaalsContact O-N 3.12Å
200V91.4Very high89.3Confident12 Ų1262.6 Ų62.67%0.07332%0.316CS..Hα-helixtrans-62.1-44.4176.1175.40000110.5F145 F147 L149 V183 V196 V197 K202 G203 F209F145-V200 HydrophobicContact CE2-CG1 4.38Å; F147-V200 HydrophobicContact CZ-CG1 4.2Å; L149-V200 HydrophobicContact CD1-CG2 4.41Å; V183-V200 HydrophobicContact CG1-CG2 4.19Å; V183-V200 HydrophobicContact CG2-CG2 4.27Å; V196-V200 WeakPolarHBondContact O-CG2 3.29Å; V196-V200 PolarHBondContact O-N 2.89Å; V197-V200 PolarHBondContact O-N 2.88Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 3.4Å; V200-G203 PolarHBondContact O-N 2.81Å; V200-F209 HydrophobicContact CG1-CZ 4.26Å; V200-F209 HydrophobicContact CG2-CE1 3.8Å; V200-F209 HydrophobicContact CG2-CZ 3.84Å
201K89Confident89.7Confident155 Ų15557.1 Ų57.167%0.67429%0.287SS*.Hα-helixtrans-62.7-38.9176-75.1174.4179.9173.70112.3V197 E198 K199 G203 G204V197-K201 HydrophobicContact CG1-CD 3.98Å; V197-K201 HydrophobicContact CG1-CG 4.46Å; V197-K201 WeakPolarHBondContact O-CB 3.46Å; V197-K201 VanDerWaalsContact O-CG 3.3Å; V197-K201 WeakPolarHBondContact O-CG 3.45Å; V197-K201 PolarHBondContact O-N 2.96Å; E198-K201 PolarHBondContact O-N 2.9Å; K199-K201 VanDerWaalsContact C-N 3.35Å; K201-G203 PolarHBondContact O-N 3.48Å; K201-G204 PolarHBondContact O-N 2.65Å
202K90.3Very high89.7Confident190 Ų19052.6 Ų52.683%0.82627%0.269SS*.Hα-helixtrans-64-27.9176.4-170.9179.8179.5-176.60112.4E198 K199 V200 G204E198-K202 WeakPolarHBondContact O-CB 3.47Å; E198-K202 PolarHBondContact O-N 3.49Å; K199-K202 PolarHBondContact O-N 2.95Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 3.4Å; K202-G204 PolarHBondContact O-N 2.99Å
203G85.1Confident89.7Confident21 Ų2151.5 Ų51.522%0.21626%0.26CS..THydrogen-bonded Turntrans-63.5-16.3169.800000114.1K199 V200 K201 S205 R206K199-G203 PolarHBondContact O-N 3.43Å; K199-G203 VanDerWaalsContact O-N 3.12Å; V200-G203 PolarHBondContact O-N 2.81Å; K201-G203 PolarHBondContact O-N 3.48Å; G203-S205 PolarHBondContact O-N 3.47Å; G203-R206 CarbonylContact C-O 3.55Å; G203-R206 PolarHBondContact O-N 3.03Å
204G89.4Confident89.4Confident40 Ų4055.1 Ų55.141%0.41228%0.275SS..THydrogen-bonded Turntrans68.7-116.2175.900000112.1K201 K202K201-G204 PolarHBondContact O-N 2.65Å; K202-G204 PolarHBondContact O-N 2.99Å
205S89.6Confident89Confident67 Ų6755 Ų5547%0.46927%0.274SS..THydrogen-bonded Turntrans-92-6.3-179.258.60000114V139 K140 G203V139-S205 WeakPolarHBondContact CA-O 3.27Å; K140-S205 WeakPolarHBondContact CB-O 3.41Å; K140-S205 PolarHBondContact N-O 2.87Å; G203-S205 PolarHBondContact O-N 3.47Å
206R90.9Very high88.3Confident108 Ų10851.9 Ų51.941%0.40826%0.258SS..EExtended strand (participates in β ladder)trans-134.6130.6-175.4-65.1168.5176.2-178.8-3.5109.7Y137 L138 G203 E326Y137-R206 HydrophobicContact CE2-CB 4.29Å; Y137-R206 VanDerWaalsContact OH-CD 3.3Å; Y137-R206 WeakPolarHBondContact OH-CD 3.45Å; L138-R206 WeakPolarHBondContact O-CA 3.39Å; G203-R206 CarbonylContact C-O 3.55Å; G203-R206 PolarHBondContact O-N 3.03Å; R206-E326 IonicContact CZ-OE2 2.72Å; R206-E326 IonicContact NH1-OE2 2.91Å; R206-E326 PolarHBondContact NH1-OE2 2.82Å
207V92.1Very high87.5Confident0 Ų052.7 Ų52.70%027%0.265CS..EExtended strand (participates in β ladder)trans-141.9139.5177.368.40000110.9L138 F145 V183 F209L138-V207 HydrophobicContact CB-CG1 3.82Å; L138-V207 HydrophobicContact CD1-CG1 4.25Å; L138-V207 HydrophobicContact CG-CG1 4.47Å; L138-V207 PolarHBondContact N-O 3.04Å; L138-V207 PolarHBondContact O-N 2.92Å; F145-V207 HydrophobicContact CD1-CG1 4.26Å; F145-V207 HydrophobicContact CE1-CG1 3.86Å; F145-V207 HydrophobicContact CE2-CG1 4.41Å; F145-V207 HydrophobicContact CZ-CB 4.46Å; F145-V207 HydrophobicContact CZ-CG1 3.95Å; V183-V207 HydrophobicContact CG1-CG2 3.78Å; V207-F209 HydrophobicContact CB-CE1 4.33Å; V207-F209 HydrophobicContact CB-CZ 4.46Å; V207-F209 HydrophobicContact CG1-CE1 4.11Å; V207-F209 HydrophobicContact CG1-CE2 4.15Å; V207-F209 HydrophobicContact CG1-CZ 3.8Å; V207-F209 HydrophobicContact CG2-CD1 3.84Å; V207-F209 HydrophobicContact CG2-CE1 3.27Å; V207-F209 HydrophobicContact CG2-CZ 3.8Å
208M91.5Very high86.7Confident2 Ų257.7 Ų57.71%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-107126.4173.4-174.369.477.100109.2L135 C136 Y137 V183 N184 L237 I327 L330 A331L135-M208 HydrophobicContact CD1-CG 3.72Å; L135-M208 HydrophobicContact CD1-SD 3.83Å; L135-M208 HydrophobicContact CD2-CE 4.23Å; L135-M208 HydrophobicContact CD2-CG 4.49Å; L135-M208 HydrophobicContact CD2-SD 3.82Å; L135-M208 HydrophobicContact CG-CG 4.1Å; L135-M208 HydrophobicContact CG-SD 3.49Å; L135-M208 WeakPolarHBondContact CG-SD 3.49Å; C136-M208 WeakPolarHBondContact O-CA 3.38Å; Y137-M208 HydrophobicContact CD2-CE 3.76Å; Y137-M208 HydrophobicContact CD2-SD 4.4Å; Y137-M208 HydrophobicContact CG-CE 4.22Å; V183-M208 CarbonylContact C-O 3.49Å; V183-M208 WeakPolarHBondContact CA-O 3.15Å; N184-M208 PolarHBondContact N-O 2.78Å; N184-M208 PolarHBondContact OD1-N 2.69Å; M208-L237 HydrophobicContact CE-CD2 3.75Å; M208-L237 HydrophobicContact SD-CD2 3.84Å; M208-I327 HydrophobicContact CE-CG2 3.72Å; M208-I327 WeakPolarHBondContact CE-O 3.07Å; M208-L330 HydrophobicContact CB-CD2 3.98Å; M208-L330 HydrophobicContact CB-CG 3.98Å; M208-A331 HydrophobicContact CE-CB 3.64Å; M208-A331 HydrophobicContact CG-CB 4.39Å; M208-A331 HydrophobicContact SD-CB 4.46Å
209F92.9Very high85.6Confident0 Ų057 Ų570%028%0.275CS..EExtended strand (participates in β ladder)trans-114.4137.5174.4-64.8-31.3000111.9L135 C136 L138 F147 L160 L180 E182 V183 V200 V207 L211L135-F209 CarbonylContact C-O 3.57Å; L135-F209 WeakPolarHBondContact CA-O 3.43Å; C136-F209 PolarHBondContact N-O 3.15Å; C136-F209 PolarHBondContact O-N 3.4Å; L138-F209 HydrophobicContact CD1-CD2 3.63Å; L138-F209 HydrophobicContact CD1-CE2 4.06Å; L138-F209 HydrophobicContact CD1-CG 4.29Å; L138-F209 HydrophobicContact CD2-CE2 4.34Å; F147-F209 HydrophobicContact CD1-CE2 4.48Å; F147-F209 AromaticContact CE1-CE2 3.66Å; F147-F209 HydrophobicContact CE1-CE2 3.66Å; F147-F209 HydrophobicContact CE1-CZ 4.11Å; F147-F209 HydrophobicContact CE2-CE2 4.22Å; F147-F209 HydrophobicContact CE2-CZ 4.33Å; F147-F209 AromaticContact CZ-CE2 3.54Å; F147-F209 HydrophobicContact CZ-CE2 3.54Å; F147-F209 AromaticContact CZ-CZ 3.61Å; F147-F209 HydrophobicContact CZ-CZ 3.61Å; L160-F209 HydrophobicContact CD2-CD2 3.95Å; L160-F209 HydrophobicContact CD2-CE2 3.93Å; L180-F209 HydrophobicContact CD1-CB 3.95Å; L180-F209 HydrophobicContact CD1-CD1 3.64Å; L180-F209 HydrophobicContact CD1-CD2 4.47Å; L180-F209 HydrophobicContact CD1-CE1 4.22Å; L180-F209 HydrophobicContact CD1-CG 3.79Å; E182-F209 WeakPolarHBondContact O-CA 3.48Å; V183-F209 HydrophobicContact CB-CD1 4.44Å; V183-F209 HydrophobicContact CB-CE1 4.38Å; V183-F209 HydrophobicContact CG1-CD1 4.36Å; V183-F209 HydrophobicContact CG1-CE1 3.98Å; V183-F209 HydrophobicContact CG2-CD1 3.98Å; V183-F209 HydrophobicContact CG2-CE1 3.82Å; V200-F209 HydrophobicContact CG1-CZ 4.26Å; V200-F209 HydrophobicContact CG2-CE1 3.8Å; V200-F209 HydrophobicContact CG2-CZ 3.84Å; V207-F209 HydrophobicContact CB-CE1 4.33Å; V207-F209 HydrophobicContact CB-CZ 4.46Å; V207-F209 HydrophobicContact CG1-CE1 4.11Å; V207-F209 HydrophobicContact CG1-CE2 4.15Å; V207-F209 HydrophobicContact CG1-CZ 3.8Å; V207-F209 HydrophobicContact CG2-CD1 3.84Å; V207-F209 HydrophobicContact CG2-CE1 3.27Å; V207-F209 HydrophobicContact CG2-CZ 3.8Å; F209-L211 HydrophobicContact CB-CD1 4.24Å; F209-L211 HydrophobicContact CB-CD2 3.88Å; F209-L211 HydrophobicContact CB-CG 3.79Å; F209-L211 HydrophobicContact CG-CD2 4.45Å
210L89.7Confident84.4Confident3 Ų356.5 Ų56.52%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-96.8114.6158.8-173.265.4000108P133 L135 I181 E182 A232P133-L210 HydrophobicContact CB-CD1 3.79Å; P133-L210 HydrophobicContact CB-CG 4.37Å; L135-L210 HydrophobicContact CD1-CB 4.49Å; L135-L210 HydrophobicContact CD1-CD1 4.31Å; I181-L210 HydrophobicContact CB-CB 4.41Å; I181-L210 HydrophobicContact CB-CD2 4.29Å; I181-L210 HydrophobicContact CB-CG 4.31Å; I181-L210 WeakPolarHBondContact CB-O 3.28Å; I181-L210 HydrophobicContact CG2-CD2 4.16Å; I181-L210 PolarHBondContact N-O 3.36Å; E182-L210 HydrophobicContact CB-CB 3.71Å; E182-L210 HydrophobicContact CG-CB 3.84Å; E182-L210 HydrophobicContact CG-CD2 3.8Å; E182-L210 HydrophobicContact CG-CG 4.43Å; E182-L210 PolarHBondContact N-O 3.03Å; E182-L210 PolarHBondContact O-N 3.36Å; L210-A232 HydrophobicContact CD1-CB 3.62Å
211L91.3Very high83.2Confident0 Ų060.5 Ų60.50%030%0.302CS..EExtended strand (participates in β ladder)trans-117.9148.6-174.6-61.4-178.4000111.1R134 C136 L160 V174 D178 H179 L180 F209R134-L211 PolarHBondContact N-O 3.47Å; R134-L211 PolarHBondContact O-N 3.26Å; C136-L211 HydrophobicContact CB-CD1 4.34Å; L160-L211 HydrophobicContact CD1-CD2 3.6Å; L160-L211 HydrophobicContact CD2-CD1 4.14Å; L160-L211 HydrophobicContact CD2-CD2 4.3Å; V174-L211 HydrophobicContact CB-CD1 4.12Å; V174-L211 HydrophobicContact CG1-CD1 3.87Å; V174-L211 HydrophobicContact CG2-CD1 3.74Å; D178-L211 HydrophobicContact CB-CB 4.21Å; D178-L211 HydrophobicContact CB-CD1 4.17Å; D178-L211 HydrophobicContact CB-CD2 4.37Å; D178-L211 HydrophobicContact CB-CG 4.49Å; D178-L211 WeakPolarHBondContact OD2-CD1 3.44Å; H179-L211 WeakPolarHBondContact O-CA 3.46Å; L180-L211 HydrophobicContact CB-CD2 4.22Å; L180-L211 HydrophobicContact CD1-CD2 3.55Å; L180-L211 HydrophobicContact CG-CD2 4.49Å; F209-L211 HydrophobicContact CB-CD1 4.24Å; F209-L211 HydrophobicContact CB-CD2 3.88Å; F209-L211 HydrophobicContact CB-CG 3.79Å; F209-L211 HydrophobicContact CG-CD2 4.45Å
212V88.8Confident81.9Confident1 Ų159.2 Ų59.21%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-129.6129.7174.31780000108.1P133 H179 I181 T216 A217 F227P133-V212 HydrophobicContact CB-CG2 4.1Å; P133-V212 HydrophobicContact CG-CG2 4.28Å; H179-V212 PolarHBondContact N-O 3.23Å; H179-V212 PolarHBondContact O-N 3.32Å; I181-V212 HydrophobicContact CD1-CB 4.44Å; I181-V212 HydrophobicContact CD1-CG2 4.1Å; I181-V212 HydrophobicContact CG1-CB 4.27Å; I181-V212 HydrophobicContact CG1-CG2 3.58Å; V212-T216 VanDerWaalsContact CG1-CB 3.48Å; V212-T216 HydrophobicContact CG1-CG2 3.46Å; V212-T216 VanDerWaalsContact CG1-CG2 3.46Å; V212-A217 HydrophobicContact CG1-CB 3.95Å; V212-F227 HydrophobicContact CB-CE2 4.44Å; V212-F227 HydrophobicContact CB-CZ 4.24Å; V212-F227 HydrophobicContact CG1-CE1 4.06Å; V212-F227 HydrophobicContact CG1-CE2 4.16Å; V212-F227 HydrophobicContact CG1-CZ 3.55Å; V212-F227 HydrophobicContact CG2-CD1 4.29Å; V212-F227 HydrophobicContact CG2-CD2 4.18Å; V212-F227 HydrophobicContact CG2-CE1 4.01Å; V212-F227 HydrophobicContact CG2-CE2 3.89Å; V212-F227 HydrophobicContact CG2-CG 4.38Å; V212-F227 HydrophobicContact CG2-CZ 3.82Å
213D85.8Confident80.2Confident26 Ų2656.6 Ų56.614%0.13929%0.289CS..  trans-66.1161.21777072.9000111.7D178 E215 T216 A217D178-D213 WeakPolarHBondContact OD1-CA 3.49Å; D213-E215 VanDerWaalsContact C-N 3.27Å; D213-E215 PolarHBondContact O-N 3.35Å; D213-E215 WeakPolarHBondContact OD1-CA 2.96Å; D213-E215 WeakPolarHBondContact OD1-CB 3.48Å; D213-E215 PolarHBondContact OD1-N 3.23Å; D213-T216 VanDerWaalsContact CG-OG1 3.23Å; D213-T216 PolarHBondContact O-N 2.97Å; D213-T216 PolarHBondContact OD1-N 2.8Å; D213-T216 PolarHBondContact OD1-OG1 3.35Å; D213-T216 VanDerWaalsContact OD1-OG1 3.12Å; D213-T216 WeakPolarHBondContact OD2-CB 3.31Å; D213-T216 PolarHBondContact OD2-OG1 3.45Å; D213-A217 WeakPolarHBondContact O-CB 3.5Å; D213-A217 PolarHBondContact O-N 3.26Å
214K80.3Confident78.8Confident132 Ų13265 Ų6557%0.57432%0.32SS*.Hα-helixtrans-55.6-37.9-176.4-177178.4179.5176.80113.9D177 K218D177-K214 HydrophobicContact CB-CD 4.28Å; D177-K214 IonicContact OD2-NZ 2.84Å; K214-K218 WeakPolarHBondContact O-CB 3.4Å; K214-K218 PolarHBondContact O-N 2.92Å; K214-K218 VanDerWaalsContact O-N 3.16Å
215E77.8Confident77.3Confident119 Ų11967 Ų6756%0.55632%0.324SS*.Hα-helixtrans-74.5-43.2-179.4-57.4-167.8174.600111.5D213 A217 K218 R219D213-E215 VanDerWaalsContact C-N 3.27Å; D213-E215 PolarHBondContact O-N 3.35Å; D213-E215 WeakPolarHBondContact OD1-CA 2.96Å; D213-E215 WeakPolarHBondContact OD1-CB 3.48Å; D213-E215 PolarHBondContact OD1-N 3.23Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-K218 PolarHBondContact O-N 2.99Å; E215-R219 VanDerWaalsContact CB-NH1 3.29Å; E215-R219 WeakPolarHBondContact O-CG 3.48Å; E215-R219 PolarHBondContact O-N 3.02Å; E215-R219 IonicContact OE2-CZ 3.36Å; E215-R219 IonicContact OE2-NH1 3.58Å; E215-R219 PolarHBondContact OE2-NH1 2.8Å; E215-R219 VanDerWaalsContact OE2-NH1 3.14Å; E215-R219 IonicContact OE2-NH2 3.65Å; E215-R219 PolarHBondContact OE2-NH2 2.93Å
216T75.1Confident75.7Confident4 Ų471.3 Ų71.33%0.02534%0.337CS..Hα-helixtrans-63.7-41.4177.7-58.60000110.9A131 V212 D213 K218 R219 H220 F227A131-T216 WeakPolarHBondContact CB-OG1 3.35Å; A131-T216 WeakPolarHBondContact O-CG2 3.44Å; A131-T216 PolarHBondContact O-OG1 3.23Å; V212-T216 VanDerWaalsContact CG1-CB 3.48Å; V212-T216 HydrophobicContact CG1-CG2 3.46Å; V212-T216 VanDerWaalsContact CG1-CG2 3.46Å; D213-T216 VanDerWaalsContact CG-OG1 3.23Å; D213-T216 PolarHBondContact O-N 2.97Å; D213-T216 PolarHBondContact OD1-N 2.8Å; D213-T216 PolarHBondContact OD1-OG1 3.35Å; D213-T216 VanDerWaalsContact OD1-OG1 3.12Å; D213-T216 WeakPolarHBondContact OD2-CB 3.31Å; D213-T216 PolarHBondContact OD2-OG1 3.45Å; T216-K218 VanDerWaalsContact C-N 3.34Å; T216-K218 PolarHBondContact O-N 2.91Å; T216-R219 PolarHBondContact O-N 3.21Å; T216-H220 VanDerWaalsContact O-CB 3.26Å; T216-H220 WeakPolarHBondContact O-CB 3.41Å; T216-H220 PolarHBondContact O-N 2.81Å; T216-F227 HydrophobicContact CG2-CE1 3.98Å; T216-F227 HydrophobicContact CG2-CZ 4.26Å
217A73.8Confident74.5Confident18 Ų1867.8 Ų67.815%0.14933%0.325CS..Hα-helixtrans-62.8-40.4175.100000111.8H179 V212 D213 E215 S221H179-A217 HydrophobicContact CB-CB 4.19Å; V212-A217 HydrophobicContact CG1-CB 3.95Å; D213-A217 WeakPolarHBondContact O-CB 3.5Å; D213-A217 PolarHBondContact O-N 3.26Å; E215-A217 VanDerWaalsContact C-N 3.34Å; A217-S221 WeakPolarHBondContact O-CB 3.21Å; A217-S221 PolarHBondContact O-N 3.34Å
218K72.4Confident73.1Confident138 Ų13874.6 Ų74.660%0.635%0.354SS*.Hα-helixtrans-64-51.2177.2-173.4-176.9175.2-168.30111.6K214 E215 T216 H220 S221 E222K214-K218 WeakPolarHBondContact O-CB 3.4Å; K214-K218 PolarHBondContact O-N 2.92Å; K214-K218 VanDerWaalsContact O-N 3.16Å; E215-K218 PolarHBondContact O-N 2.99Å; T216-K218 VanDerWaalsContact C-N 3.34Å; T216-K218 PolarHBondContact O-N 2.91Å; K218-H220 VanDerWaalsContact C-N 3.28Å; K218-H220 PolarHBondContact O-N 2.75Å; K218-S221 PolarHBondContact O-N 3.24Å; K218-E222 WeakPolarHBondContact CE-OE1 3.39Å; K218-E222 WeakPolarHBondContact O-CG 3.2Å; K218-E222 PolarHBondContact O-N 2.94Å; K218-E222 VanDerWaalsContact O-N 3.14Å
219R67.9Low71.9Confident116 Ų11676.9 Ų76.944%0.43836%0.363SS..Hα-helixtrans-58.6-41.2178.3-69.7-176.6-172974.2111.8E215 T216 E222 Q223E215-R219 VanDerWaalsContact CB-NH1 3.29Å; E215-R219 WeakPolarHBondContact O-CG 3.48Å; E215-R219 PolarHBondContact O-N 3.02Å; E215-R219 IonicContact OE2-CZ 3.36Å; E215-R219 IonicContact OE2-NH1 3.58Å; E215-R219 PolarHBondContact OE2-NH1 2.8Å; E215-R219 VanDerWaalsContact OE2-NH1 3.14Å; E215-R219 IonicContact OE2-NH2 3.65Å; E215-R219 PolarHBondContact OE2-NH2 2.93Å; T216-R219 PolarHBondContact O-N 3.21Å; R219-E222 PolarHBondContact O-N 3.26Å; R219-Q223 WeakPolarHBondContact O-CG 3.48Å; R219-Q223 PolarHBondContact O-N 3.38Å
220H68.3Low70.7Confident35 Ų3583.2 Ų83.216%0.16239%0.392CS..Hα-helixtrans-67.7-39179.8-173-94.3000113.1T216 K218 E222 Q223 K224 T225 Q226 F227T216-H220 VanDerWaalsContact O-CB 3.26Å; T216-H220 WeakPolarHBondContact O-CB 3.41Å; T216-H220 PolarHBondContact O-N 2.81Å; K218-H220 VanDerWaalsContact C-N 3.28Å; K218-H220 PolarHBondContact O-N 2.75Å; H220-E222 VanDerWaalsContact C-N 3.29Å; H220-E222 PolarHBondContact O-N 3.23Å; H220-Q223 PolarHBondContact O-N 3.09Å; H220-K224 PolarHBondContact O-N 3.22Å; H220-T225 VanDerWaalsContact CE1-C 3.41Å; H220-T225 PolarHBondContact CE1-O 3.3Å; H220-T225 PolarHBondContact ND1-O 3.02Å; H220-T225 PolarHBondContact NE2-O 2.89Å; H220-Q226 VanDerWaalsContact NE2-CA 3.29Å; H220-Q226 WeakPolarHBondContact NE2-CA 3.41Å; H220-Q226 PolarHBondContact NE2-N 3.42Å; H220-F227 HydrophobicContact CB-CE1 3.89Å; H220-F227 HydrophobicContact CB-CE2 3.85Å; H220-F227 HydrophobicContact CB-CZ 3.26Å; H220-F227 AromaticContact CD2-CD1 3.6Å; H220-F227 AromaticContact CD2-CD2 3.98Å; H220-F227 AromaticContact CD2-CE1 3.37Å; H220-F227 WeakPolarHBondContact CD2-CE1 3.45Å; H220-F227 AromaticContact CD2-CE2 3.76Å; H220-F227 AromaticContact CD2-CG 3.89Å; H220-F227 AromaticContact CD2-CZ 3.43Å; H220-F227 VanDerWaalsContact CD2-CZ 3.43Å; H220-F227 WeakPolarHBondContact CD2-CZ 3.42Å; H220-F227 AromaticContact CE1-CD2 3.4Å; H220-F227 WeakPolarHBondContact CE1-CD2 2.99Å; H220-F227 AromaticContact CE1-CE2 3.52Å; H220-F227 AromaticContact CE1-CG 3.8Å; H220-F227 PolarHBondContact CE1-N 2.81Å; H220-F227 AromaticContact CG-CD2 4Å; H220-F227 AromaticContact CG-CE1 3.64Å; H220-F227 AromaticContact CG-CE2 3.39Å; H220-F227 AromaticContact CG-CZ 3.17Å; H220-F227 AromaticContact ND1-CD2 3.68Å; H220-F227 AromaticContact ND1-CE2 3.27Å; H220-F227 VanDerWaalsContact ND1-CE2 3.27Å; H220-F227 WeakPolarHBondContact ND1-CE2 3.45Å; H220-F227 AromaticContact ND1-CZ 3.62Å; H220-F227 AromaticContact NE2-CD1 3.69Å; H220-F227 AromaticContact NE2-CD2 3.62Å; H220-F227 AromaticContact NE2-CE1 3.92Å; H220-F227 AromaticContact NE2-CE2 3.84Å; H220-F227 AromaticContact NE2-CG 3.52Å; H220-F227 AromaticContact NE2-CZ 3.98Å; H220-F227 PolarHBondContact NE2-N 2.77Å
221S65.4Low69.7Low95 Ų9586.1 Ų86.166%0.66441%0.41SS*.Hα-helixtrans-63.3-34.9174-173.60000112.4A217 K218A217-S221 WeakPolarHBondContact O-CB 3.21Å; A217-S221 PolarHBondContact O-N 3.34Å; K218-S221 PolarHBondContact O-N 3.24Å
222E61.8Low68.9Low129 Ų12986.5 Ų86.560%0.60341%0.414SS*.Hα-helixtrans-74.3-35.3179-70.6167.2-179.700112K218 R219 H220K218-E222 WeakPolarHBondContact CE-OE1 3.39Å; K218-E222 WeakPolarHBondContact O-CG 3.2Å; K218-E222 PolarHBondContact O-N 2.94Å; K218-E222 VanDerWaalsContact O-N 3.14Å; R219-E222 PolarHBondContact O-N 3.26Å; H220-E222 VanDerWaalsContact C-N 3.29Å; H220-E222 PolarHBondContact O-N 3.23Å
223Q54.4Low68.2Low135 Ų13587.6 Ų87.663%0.63142%0.421SS*.Hα-helixtrans-90.6-0.5-176.6-65.7176.517.300114.6R219 H220 T225R219-Q223 WeakPolarHBondContact O-CG 3.48Å; R219-Q223 PolarHBondContact O-N 3.38Å; H220-Q223 PolarHBondContact O-N 3.09Å; Q223-T225 PolarHBondContact O-N 3.17Å; Q223-T225 PolarHBondContact O-OG1 3.49Å
224K54.9Low67.7Low196 Ų19686.7 Ų86.785%0.85242%0.416SS*.THydrogen-bonded Turntrans46.329.6-176.3-68.2-173.2179.4177.60114.4H220H220-K224 PolarHBondContact O-N 3.22Å
225T58Low67.4Low83 Ų8387.7 Ų87.751%0.50942%0.421SS..  trans-81.7166175-52.60000108.2H220 Q223H220-T225 VanDerWaalsContact CE1-C 3.41Å; H220-T225 PolarHBondContact CE1-O 3.3Å; H220-T225 PolarHBondContact ND1-O 3.02Å; H220-T225 PolarHBondContact NE2-O 2.89Å; Q223-T225 PolarHBondContact O-N 3.17Å; Q223-T225 PolarHBondContact O-OG1 3.49Å
226Q56.7Low67.3Low158 Ų15885.4 Ų85.474%0.73841%0.412SS*.  trans-112.5136.1172.3-171.7173.511.200109.2H220 K228H220-Q226 VanDerWaalsContact NE2-CA 3.29Å; H220-Q226 WeakPolarHBondContact NE2-CA 3.41Å; H220-Q226 PolarHBondContact NE2-N 3.42Å; Q226-K228 PolarHBondContact O-N 2.96Å; Q226-K228 VanDerWaalsContact O-N 3.13Å
227F65.8Low67.6Low34 Ų3485.4 Ų85.415%0.14941%0.412CS..  trans-66.1117.3178.2-72.3-64.6000108.4P133 I181 V212 T216 H220P133-F227 HydrophobicContact CG-CD1 3.72Å; P133-F227 HydrophobicContact CG-CE1 4.29Å; P133-F227 HydrophobicContact CG-CG 4.42Å; I181-F227 HydrophobicContact CD1-CD2 4.26Å; I181-F227 HydrophobicContact CD1-CE2 4.33Å; I181-F227 HydrophobicContact CG1-CD2 4.5Å; V212-F227 HydrophobicContact CB-CE2 4.44Å; V212-F227 HydrophobicContact CB-CZ 4.24Å; V212-F227 HydrophobicContact CG1-CE1 4.06Å; V212-F227 HydrophobicContact CG1-CE2 4.16Å; V212-F227 HydrophobicContact CG1-CZ 3.55Å; V212-F227 HydrophobicContact CG2-CD1 4.29Å; V212-F227 HydrophobicContact CG2-CD2 4.18Å; V212-F227 HydrophobicContact CG2-CE1 4.01Å; V212-F227 HydrophobicContact CG2-CE2 3.89Å; V212-F227 HydrophobicContact CG2-CG 4.38Å; V212-F227 HydrophobicContact CG2-CZ 3.82Å; T216-F227 HydrophobicContact CG2-CE1 3.98Å; T216-F227 HydrophobicContact CG2-CZ 4.26Å; H220-F227 HydrophobicContact CB-CE1 3.89Å; H220-F227 HydrophobicContact CB-CE2 3.85Å; H220-F227 HydrophobicContact CB-CZ 3.26Å; H220-F227 AromaticContact CD2-CD1 3.6Å; H220-F227 AromaticContact CD2-CD2 3.98Å; H220-F227 AromaticContact CD2-CE1 3.37Å; H220-F227 WeakPolarHBondContact CD2-CE1 3.45Å; H220-F227 AromaticContact CD2-CE2 3.76Å; H220-F227 AromaticContact CD2-CG 3.89Å; H220-F227 AromaticContact CD2-CZ 3.43Å; H220-F227 VanDerWaalsContact CD2-CZ 3.43Å; H220-F227 WeakPolarHBondContact CD2-CZ 3.42Å; H220-F227 AromaticContact CE1-CD2 3.4Å; H220-F227 WeakPolarHBondContact CE1-CD2 2.99Å; H220-F227 AromaticContact CE1-CE2 3.52Å; H220-F227 AromaticContact CE1-CG 3.8Å; H220-F227 PolarHBondContact CE1-N 2.81Å; H220-F227 AromaticContact CG-CD2 4Å; H220-F227 AromaticContact CG-CE1 3.64Å; H220-F227 AromaticContact CG-CE2 3.39Å; H220-F227 AromaticContact CG-CZ 3.17Å; H220-F227 AromaticContact ND1-CD2 3.68Å; H220-F227 AromaticContact ND1-CE2 3.27Å; H220-F227 VanDerWaalsContact ND1-CE2 3.27Å; H220-F227 WeakPolarHBondContact ND1-CE2 3.45Å; H220-F227 AromaticContact ND1-CZ 3.62Å; H220-F227 AromaticContact NE2-CD1 3.69Å; H220-F227 AromaticContact NE2-CD2 3.62Å; H220-F227 AromaticContact NE2-CE1 3.92Å; H220-F227 AromaticContact NE2-CE2 3.84Å; H220-F227 AromaticContact NE2-CG 3.52Å; H220-F227 AromaticContact NE2-CZ 3.98Å; H220-F227 PolarHBondContact NE2-N 2.77Å
228K62.5Low67.7Low142 Ų14287 Ų8762%0.61742%0.421SS*.  trans-83.6117.2170.1-73.5-173-177.5-178.80107.6Q226 E230 T231Q226-K228 PolarHBondContact O-N 2.96Å; Q226-K228 VanDerWaalsContact O-N 3.13Å; K228-E230 WeakPolarHBondContact CB-OE2 3.36Å; K228-E230 PolarHBondContact O-N 3.5Å; K228-E230 VanDerWaalsContact O-N 3.09Å; K228-T231 HydrophobicContact CB-CG2 3.94Å; K228-T231 WeakPolarHBondContact O-CB 3.35Å; K228-T231 PolarHBondContact O-N 3.22Å; K228-T231 PolarHBondContact O-OG1 3.05Å
229R67.2Low68.1Low51 Ų5185 Ų8519%0.19241%0.413CS..G310 helixtrans-51.6-34.5178.5173.9-176.4-66.2159.64.7111.1E182 G185 T231 A232 F333E182-R229 IonicContact OE1-CZ 3.22Å; E182-R229 IonicContact OE1-NE 3.34Å; E182-R229 PolarHBondContact OE1-NE 3.02Å; E182-R229 IonicContact OE1-NH2 3.29Å; E182-R229 PolarHBondContact OE1-NH2 3.01Å; E182-R229 IonicContact OE2-CZ 2.64Å; E182-R229 IonicContact OE2-NE 3.88Å; E182-R229 PolarHBondContact OE2-NE 3.14Å; E182-R229 IonicContact OE2-NH2 2.64Å; E182-R229 PolarHBondContact OE2-NH2 2.93Å; G185-R229 PolarHBondContact O-NH2 2.92Å; R229-T231 PolarHBondContact O-N 3.41Å; R229-T231 VanDerWaalsContact O-N 3.09Å; R229-A232 WeakPolarHBondContact O-CB 3.33Å; R229-A232 PolarHBondContact O-N 3.27Å; R229-F333 HydrophobicContact CB-CZ 4.44Å; R229-F333 HydrophobicContact CG-CE1 3.9Å; R229-F333 HydrophobicContact CG-CE2 3.59Å; R229-F333 HydrophobicContact CG-CZ 3.18Å; R229-F333 VanDerWaalsContact O-CE1 3.31Å; R229-F333 WeakPolarHBondContact O-CE1 3.37Å; R229-F333 WeakPolarHBondContact O-CZ 3.4Å
230E67.3Low68.6Low132 Ų13284.5 Ų84.562%0.61742%0.416SS*.G310 helixtrans-63.4-16.1-179.5-54.871.5-150.200113.3K228 A232K228-E230 WeakPolarHBondContact CB-OE2 3.36Å; K228-E230 PolarHBondContact O-N 3.5Å; K228-E230 VanDerWaalsContact O-N 3.09Å; E230-A232 VanDerWaalsContact C-N 3.34Å
231T68.6Low69.5Low64 Ų6483.5 Ų83.539%0.39341%0.412SS..G310 helixtrans-89.2-1.6175.865.90000113.1Q132 K228 R229Q132-T231 WeakPolarHBondContact CB-O 3.49Å; K228-T231 HydrophobicContact CB-CG2 3.94Å; K228-T231 WeakPolarHBondContact O-CB 3.35Å; K228-T231 PolarHBondContact O-N 3.22Å; K228-T231 PolarHBondContact O-OG1 3.05Å; R229-T231 PolarHBondContact O-N 3.41Å; R229-T231 VanDerWaalsContact O-N 3.09Å
232A73.4Confident70.5Confident9 Ų981.5 Ų81.57%0.07439%0.391CS..SBendtrans-69.1138.2-177.900000111.9P133 L210 R229 E230 L234 F333P133-A232 HydrophobicContact CB-CB 4.16Å; P133-A232 CarbonylContact O-C 3.57Å; P133-A232 WeakPolarHBondContact O-CA 3.48Å; L210-A232 HydrophobicContact CD1-CB 3.62Å; R229-A232 WeakPolarHBondContact O-CB 3.33Å; R229-A232 PolarHBondContact O-N 3.27Å; E230-A232 VanDerWaalsContact C-N 3.34Å; A232-L234 PolarHBondContact O-N 3.36Å; A232-F333 HydrophobicContact CB-CZ 4Å
233S74.9Confident71.9Confident24 Ų2479.5 Ų79.517%0.16839%0.387CS..BIsolated β-bridgetrans-70.4121.1171.9-165.40000110.4P133 L135 K235P133-S233 PolarHBondContact O-N 2.83Å; L135-S233 PolarHBondContact N-O 3.4Å; S233-K235 VanDerWaalsContact C-N 3.35Å
234L75.3Confident73.7Confident6 Ų673.3 Ų73.33%0.03136%0.358CS..  trans-90.40.3175.9-56.5176.6000112.8L135 A232 L236 L237 Y328 F333 L337 Y338L135-L234 HydrophobicContact CB-CD2 4.43Å; L135-L234 HydrophobicContact CD2-CD2 3.74Å; A232-L234 PolarHBondContact O-N 3.36Å; L234-L236 PolarHBondContact O-N 2.69Å; L234-L236 VanDerWaalsContact O-N 3.11Å; L234-L237 HydrophobicContact CB-CD1 4.46Å; L234-L237 HydrophobicContact CD2-CD1 4.11Å; L234-L237 PolarHBondContact O-N 2.71Å; L234-L237 VanDerWaalsContact O-N 3.11Å; L234-Y328 HydrophobicContact CD1-CE1 4.46Å; L234-F333 HydrophobicContact CD1-CD1 4.46Å; L234-F333 HydrophobicContact CD2-CD1 4.08Å; L234-F333 HydrophobicContact CD2-CD2 4.29Å; L234-F333 HydrophobicContact CD2-CE1 4.15Å; L234-F333 HydrophobicContact CD2-CE2 4.37Å; L234-F333 HydrophobicContact CD2-CG 4.11Å; L234-F333 HydrophobicContact CD2-CZ 4.24Å; L234-L337 HydrophobicContact CD1-CB 4.35Å; L234-Y338 HydrophobicContact CB-CD2 3.6Å; L234-Y338 HydrophobicContact CB-CE2 4.13Å; L234-Y338 HydrophobicContact CD1-CD2 4.3Å; L234-Y338 WeakPolarHBondContact O-CE2 3.47Å
235K72.9Confident75.5Confident153 Ų15367.7 Ų67.767%0.66534%0.34SS*.THydrogen-bonded Turntrans-59.9-26.3-173.5-68.6-176.9179.2-179.40114S233S233-K235 VanDerWaalsContact C-N 3.35Å
236L77.7Confident77.2Confident71 Ų7163.8 Ų63.837%0.37232%0.316SS..THydrogen-bonded Turntrans-90-6-176.2-62.3173.1000113.2R134 L234R134-L236 HydrophobicContact CB-CD1 4.28Å; R134-L236 HydrophobicContact CG-CD1 4.38Å; L234-L236 PolarHBondContact O-N 2.69Å; L234-L236 VanDerWaalsContact O-N 3.11Å
237L80.6Confident79Confident5 Ų563.4 Ų63.43%0.02631%0.312CS..  trans-69.3133.2175.8-66.8-173.2000110.6L135 M208 L234 I327 Y328L135-L237 HydrophobicContact CB-CD2 4.46Å; L135-L237 HydrophobicContact CD2-CD1 3.78Å; L135-L237 HydrophobicContact CD2-CD2 3.74Å; L135-L237 HydrophobicContact CD2-CG 4.06Å; L135-L237 HydrophobicContact CG-CD2 4.06Å; M208-L237 HydrophobicContact CE-CD2 3.75Å; M208-L237 HydrophobicContact SD-CD2 3.84Å; L234-L237 HydrophobicContact CB-CD1 4.46Å; L234-L237 HydrophobicContact CD2-CD1 4.11Å; L234-L237 PolarHBondContact O-N 2.71Å; L234-L237 VanDerWaalsContact O-N 3.11Å; L237-I327 HydrophobicContact CD1-CG2 4.19Å; L237-I327 HydrophobicContact CD2-CG2 4.11Å; L237-Y328 HydrophobicContact CD1-CD1 4.35Å; L237-Y328 HydrophobicContact CD1-CE1 3.86Å
238P76.1Confident80.3Confident52 Ų5266.4 Ų66.434%0.33833%0.325SS..SBendtrans-71.1160.3169.428.3-27.2000110.2Y137 I327Y137-P238 HydrophobicContact CD1-CG 3.55Å; Y137-P238 HydrophobicContact CE1-CG 4.24Å; Y137-P238 HydrophobicContact CG-CG 4.38Å; P238-I327 HydrophobicContact CG-CD1 3.92Å
239H79.9Confident81.7Confident94 Ų9461.2 Ų61.244%0.43531%0.312SS..SBendtrans58.178.7-178.8-60.5-91.7000113.9D321 A324 I327H239-D321 IonicContact ND1-OD1 2.83Å; H239-D321 IonicContact ND1-OD2 3.32Å; H239-D321 PolarHBondContact ND1-OD2 3.43Å; H239-A324 HydrophobicContact CB-CB 3.79Å; H239-A324 WeakPolarHBondContact O-CB 3.24Å; H239-I327 HydrophobicContact CB-CD1 4.31Å
240Q79.6Confident82.7Confident106 Ų10664.7 Ų64.750%0.49534%0.344SS..  trans-73141.7-179.2-61.1179.6-3.200111.6Y338Q240-Y338 HydrophobicContact CB-CE1 3.92Å; Q240-Y338 HydrophobicContact CG-CE1 4.15Å; Q240-Y338 HydrophobicContact CG-CE2 4.41Å; Q240-Y338 WeakPolarHBondContact CG-OH 3.49Å; Q240-Y338 PolarHBondContact NE2-OH 3.35Å; Q240-Y338 PolarHBondContact OE1-OH 3.19Å
241P85.6Confident83.7Confident14 Ų1465 Ų659%0.09135%0.35CS..  trans-52.6142.3168.3-26.534.4000111.4L318 V320 Y328 P335 Y338P241-L318 HydrophobicContact CB-CD1 3.63Å; P241-L318 HydrophobicContact CB-CG 4.42Å; P241-V320 HydrophobicContact CB-CG1 3.93Å; P241-V320 HydrophobicContact CG-CG1 3.93Å; P241-Y328 WeakPolarHBondContact CD-OH 3.38Å; P241-Y328 HydrophobicContact CG-CE2 3.93Å; P241-P335 HydrophobicContact CB-CB 4.5Å; P241-P335 HydrophobicContact CG-CB 3.82Å; P241-Y338 HydrophobicContact CB-CD1 4.33Å; P241-Y338 VanDerWaalsContact CD-CD1 3.5Å; P241-Y338 HydrophobicContact CG-CD1 3.84Å; P241-Y338 HydrophobicContact CG-CG 4.03Å
242R88.3Confident84.8Confident54 Ų5462.8 Ų62.820%0.20434%0.34CS..EExtended strand (participates in β ladder)trans-107.5125.2-179.6-73.3176.7-80.3139.1-0.3109.5V244 G281 D286 V319R242-V244 HydrophobicContact CB-CG2 4.36Å; R242-G281 PolarHBondContact NH1-O 3.11Å; R242-D286 IonicContact CZ-OD1 3.34Å; R242-D286 IonicContact CZ-OD2 2.98Å; R242-D286 IonicContact NH1-OD1 3.83Å; R242-D286 IonicContact NH1-OD2 3.99Å; R242-D286 PolarHBondContact NH1-OD2 2.84Å; R242-D286 IonicContact NH2-OD1 3.51Å; R242-D286 PolarHBondContact NH2-OD1 2.86Å; R242-D286 IonicContact NH2-OD2 2.61Å; R242-D286 PolarHBondContact NH2-OD2 3.43Å; R242-V319 HydrophobicContact CB-CG2 4Å; R242-V319 PolarHBondContact N-O 3.06Å; R242-V319 PolarHBondContact O-N 2.95Å
243V89.8Confident85.7Confident87 Ų8763.7 Ų63.753%0.52734%0.341SS..EExtended strand (participates in β ladder)trans-87.8117.4167.3-178.10000107.9V245 T316 L318V243-V245 HydrophobicContact CG1-CG2 4.42Å; V243-T316 HydrophobicContact CG1-CG2 3.76Å; V243-L318 HydrophobicContact CG2-CD1 3.96Å
244V92.1Very high86.6Confident5 Ų562.9 Ų62.93%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-114.1112.5-178.6-175.70000108.5R242 I246 A280 L282 T316 L317 V319R242-V244 HydrophobicContact CB-CG2 4.36Å; V244-I246 HydrophobicContact CG1-CD1 3.93Å; V244-I246 HydrophobicContact CG1-CG1 3.63Å; V244-A280 HydrophobicContact CG1-CB 3.6Å; V244-L282 HydrophobicContact CB-CD1 4.27Å; V244-L282 HydrophobicContact CG1-CB 4.25Å; V244-L282 HydrophobicContact CG1-CD1 4.17Å; V244-L282 HydrophobicContact CG2-CD1 4.12Å; V244-T316 WeakPolarHBondContact O-CA 3.4Å; V244-L317 PolarHBondContact N-O 3.2Å; V244-L317 PolarHBondContact O-N 2.99Å; V244-V319 HydrophobicContact CG2-CG2 3.95Å
245V93.1Very high87.5Confident77 Ų7764 Ų6447%0.46734%0.341SS..EExtended strand (participates in β ladder)trans-99.2115.8175.4-175.70000108.5V243 Q314 T316V243-V245 HydrophobicContact CG1-CG2 4.42Å; V245-Q314 HydrophobicContact CG1-CG 3.96Å; V245-T316 HydrophobicContact CG2-CG2 4.16Å
246I94.8Very high88.4Confident1 Ų163.1 Ų63.11%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-116.6128.2-175-42.9176.2000108.6V244 Y253 F255 P276 A277 A280 L282 Q314 A315 L317V244-I246 HydrophobicContact CG1-CD1 3.93Å; V244-I246 HydrophobicContact CG1-CG1 3.63Å; I246-Y253 HydrophobicContact CB-CD1 4.02Å; I246-Y253 HydrophobicContact CB-CE1 4.45Å; I246-Y253 HydrophobicContact CG2-CD1 3.68Å; I246-Y253 HydrophobicContact CG2-CE1 4.48Å; I246-F255 HydrophobicContact CD1-CD1 4.19Å; I246-F255 HydrophobicContact CD1-CE1 3.88Å; I246-P276 HydrophobicContact CG2-CB 3.74Å; I246-A277 HydrophobicContact CD1-CB 4.35Å; I246-A280 HydrophobicContact CG1-CB 3.87Å; I246-L282 HydrophobicContact CD1-CD2 3.98Å; I246-Q314 WeakPolarHBondContact O-CA 3.35Å; I246-A315 PolarHBondContact N-O 3.39Å; I246-A315 PolarHBondContact O-N 2.86Å; I246-L317 HydrophobicContact CD1-CD1 4.02Å
247K93.9Very high89Confident150 Ų15061 Ų6165%0.65232%0.324SS*.EExtended strand (participates in β ladder)trans-97.5131.6169.8-169.7177.2-179.1177.80109.6G249 P276 D313K247-G249 PolarHBondContact O-N 3.38Å; K247-P276 WeakPolarHBondContact O-CB 3.22Å; K247-D313 CarbonylContact C-O 3.57Å; K247-D313 WeakPolarHBondContact CA-O 3.29Å
248K92.7Very high89.3Confident97 Ų9767.6 Ų67.642%0.42235%0.348SS..  trans-62.7128.8-179.8-162.8-178.8176.1-174.20110.4Y253 D313K248-Y253 HydrophobicContact CB-CD1 4.09Å; K248-Y253 HydrophobicContact CB-CE1 3.66Å; K248-Y253 HydrophobicContact CB-CE2 4.49Å; K248-Y253 HydrophobicContact CD-CE2 4.43Å; K248-Y253 HydrophobicContact CG-CD1 4.44Å; K248-Y253 HydrophobicContact CG-CE1 4.27Å; K248-Y253 HydrophobicContact CG-CE2 4.33Å; K248-D313 HydrophobicContact CB-CB 4.26Å; K248-D313 WeakPolarHBondContact CB-O 3.08Å; K248-D313 PolarHBondContact N-O 2.99Å
249G91.6Very high89.4Confident33 Ų3367.8 Ų67.834%0.3436%0.355SS..BIsolated β-bridgetrans-88.6-17517100000112K247 N251 G252K247-G249 PolarHBondContact O-N 3.38Å; G249-N251 PolarHBondContact O-N 2.82Å; G249-G252 PolarHBondContact N-O 3.28Å; G249-G252 PolarHBondContact O-N 2.82Å; G249-G252 VanDerWaalsContact O-N 3.14Å
250S89.1Confident88.9Confident125 Ų12564.2 Ų64.287%0.87434%0.343SS*.THydrogen-bonded Turntrans-58.6-30.5177.257.50000113.2
251N87.1Confident87.9Confident139 Ų13964.3 Ų64.374%0.74336%0.362SS*.THydrogen-bonded Turntrans-105.519.3-178.1-61.95.6000112.4G249G249-N251 PolarHBondContact O-N 2.82Å
252G91.6Very high86.5Confident17 Ų1771.4 Ų71.418%0.17539%0.394CS..BIsolated β-bridgetrans92.7-154.3-176.300000113G249G249-G252 PolarHBondContact N-O 3.28Å; G249-G252 PolarHBondContact O-N 2.82Å; G249-G252 VanDerWaalsContact O-N 3.14Å
253Y93.6Very high85Confident28 Ų2873.8 Ų73.811%0.1141%0.407CS..SBendtrans-85.8-26.3-178.1-64.3-71.9000113.2I246 K248 F255 A277 I308 G312 Q314 A315I246-Y253 HydrophobicContact CB-CD1 4.02Å; I246-Y253 HydrophobicContact CB-CE1 4.45Å; I246-Y253 HydrophobicContact CG2-CD1 3.68Å; I246-Y253 HydrophobicContact CG2-CE1 4.48Å; K248-Y253 HydrophobicContact CB-CD1 4.09Å; K248-Y253 HydrophobicContact CB-CE1 3.66Å; K248-Y253 HydrophobicContact CB-CE2 4.49Å; K248-Y253 HydrophobicContact CD-CE2 4.43Å; K248-Y253 HydrophobicContact CG-CD1 4.44Å; K248-Y253 HydrophobicContact CG-CE1 4.27Å; K248-Y253 HydrophobicContact CG-CE2 4.33Å; Y253-F255 HydrophobicContact CD2-CE1 4.4Å; Y253-F255 AromaticContact CG-CE1 3.98Å; Y253-F255 HydrophobicContact CG-CE1 3.98Å; Y253-A277 VanDerWaalsContact O-CB 3.26Å; Y253-A277 WeakPolarHBondContact O-CB 3.47Å; Y253-A277 PolarHBondContact O-N 3.29Å; Y253-I308 HydrophobicContact CE2-CG2 4.12Å; Y253-G312 PolarHBondContact OH-O 3.03Å; Y253-Q314 PolarHBondContact OH-N 2.76Å; Y253-A315 HydrophobicContact CE1-CB 4.05Å
254G93Very high83.7Confident7 Ų777 Ų777%0.07241%0.414CS..SBendtrans81.134.1178.700000115.1I271 E272 S275G254-I271 WeakPolarHBondContact O-CA 3.46Å; G254-E272 PolarHBondContact O-N 3.36Å; G254-S275 PolarHBondContact O-OG 3.12Å
255F94.6Very high82.9Confident29 Ų2977 Ų7713%0.12742%0.415CS..  trans-140.9161169.869.8-97.5000110.2I246 Y253 L257 I268 I271 A277 L282 L317I246-F255 HydrophobicContact CD1-CD1 4.19Å; I246-F255 HydrophobicContact CD1-CE1 3.88Å; Y253-F255 HydrophobicContact CD2-CE1 4.4Å; Y253-F255 AromaticContact CG-CE1 3.98Å; Y253-F255 HydrophobicContact CG-CE1 3.98Å; F255-L257 HydrophobicContact CD2-CD1 4.11Å; F255-L257 HydrophobicContact CE2-CD1 3.46Å; F255-L257 VanDerWaalsContact CE2-CD1 3.46Å; F255-L257 HydrophobicContact CZ-CD1 4.42Å; F255-I268 HydrophobicContact CB-CG2 4.1Å; F255-I268 HydrophobicContact CD2-CD1 3.9Å; F255-I268 HydrophobicContact CE2-CD1 4.11Å; F255-I271 HydrophobicContact CB-CG1 4.2Å; F255-A277 HydrophobicContact CB-CB 4.06Å; F255-A277 HydrophobicContact CD1-CB 3.79Å; F255-A277 HydrophobicContact CG-CB 4.41Å; F255-L282 HydrophobicContact CB-CD2 3.99Å; F255-L282 HydrophobicContact CD1-CD2 3.77Å; F255-L282 HydrophobicContact CD2-CD2 4.46Å; F255-L282 HydrophobicContact CE1-CD2 4.36Å; F255-L282 HydrophobicContact CG-CD2 3.81Å; F255-L317 HydrophobicContact CE1-CD1 4.34Å; F255-L317 HydrophobicContact CZ-CD1 4.11Å
256Y91.3Very high82.7Confident134 Ų13473.6 Ų73.653%0.52539%0.394SS..EExtended strand (participates in β ladder)trans-113.2142.2172.3-68.8-96.3000110.8K269 D270Y256-K269 PolarHBondContact N-O 3.21Å; Y256-K269 PolarHBondContact O-N 2.95Å; Y256-D270 HydrophobicContact CD2-CB 3.67Å; Y256-D270 HydrophobicContact CE2-CB 4.34Å; Y256-D270 HydrophobicContact CG-CB 4.36Å
257L90.4Very high82.5Confident27 Ų2775.6 Ų75.614%0.14140%0.404CS..EExtended strand (participates in β ladder)trans-96.9137171.7-126.889.1000109F255 Q266 I268 V288 H301 V304 V305 I308F255-L257 HydrophobicContact CD2-CD1 4.11Å; F255-L257 HydrophobicContact CE2-CD1 3.46Å; F255-L257 VanDerWaalsContact CE2-CD1 3.46Å; F255-L257 HydrophobicContact CZ-CD1 4.42Å; L257-Q266 HydrophobicContact CD2-CB 3.37Å; L257-Q266 HydrophobicContact CD2-CG 3.58Å; L257-Q266 HydrophobicContact CG-CB 3.85Å; L257-I268 HydrophobicContact CD1-CD1 3.74Å; L257-V288 HydrophobicContact CD1-CG2 4.38Å; L257-H301 PolarHBondContact O-CE1 2.99Å; L257-V304 HydrophobicContact CD2-CB 4.22Å; L257-V304 HydrophobicContact CD2-CG1 3.68Å; L257-V305 HydrophobicContact CD2-CG2 4.48Å; L257-I308 HydrophobicContact CD1-CD1 3.92Å; L257-I308 HydrophobicContact CD2-CD1 4.38Å
258R86.5Confident82.4Confident143 Ų14368.4 Ų68.454%0.5437%0.373SS..EExtended strand (participates in β ladder)trans-133.5140.1172.6-167.8-178.2-69.9-172.91.4110.2G260 I267 K269R258-G260 PolarHBondContact O-N 2.81Å; R258-I267 PolarHBondContact N-O 3.43Å; R258-I267 PolarHBondContact O-N 3.37Å; R258-K269 HydrophobicContact CB-CG 4.31Å
259A80Confident82.4Confident57 Ų5766.6 Ų66.647%0.47137%0.365SS..EExtended strand (participates in β ladder)trans-59.4133.2169.200000110.2A261A259-A261 PolarHBondContact O-N 3.42Å
260G67.8Low82.3Confident18 Ų1869.4 Ų69.419%0.18637%0.372CS..  trans-61.4132.4174.600000111.3R258 E262 G265R258-G260 PolarHBondContact O-N 2.81Å; G260-E262 VanDerWaalsContact C-N 3.32Å; G260-G265 PolarHBondContact N-O 3.12Å; G260-G265 VanDerWaalsContact N-O 3.1Å
261A59.2Low82.5Confident108 Ų10864.7 Ų64.789%0.89334%0.337SS*.SBendtrans-72.8-24.8-17900000113.2A259A259-A261 PolarHBondContact O-N 3.42Å
262E57.2Low82.8Confident164 Ų16462 Ų6277%0.76632%0.32SS*.SBendtrans-110.4-18.8-174.8-67.6-176.3152.100113.1G260G260-E262 VanDerWaalsContact C-N 3.32Å
263H55.9Low82.9Confident103 Ų10366.5 Ų66.548%0.47735%0.349SS..SBendtrans-147.1154.5-171.5-57.2-49000113.1R329H263-R329 PolarHBondContact CD2-NH1 2.96Å; H263-R329 PolarHBondContact NE2-NH1 2.61Å
264K63.2Low82.8Confident154 Ų15468.6 Ų68.667%0.6738%0.379SS*.SBendtrans-59.8134.8167.5-73.5179.8163.4-171.20109.5E297 D298K264-E297 WeakPolarHBondContact CB-O 3.46Å; K264-D298 WeakPolarHBondContact CD-OD1 3.36Å; K264-D298 IonicContact NZ-OD1 2.8Å; K264-D298 PolarHBondContact NZ-OD1 3.39Å
265G75.1Confident82.9Confident6 Ų668.7 Ų68.76%0.06238%0.378CS..SBendtrans127167.3-177.800000113.1G260G260-G265 PolarHBondContact N-O 3.12Å; G260-G265 VanDerWaalsContact N-O 3.1Å
266Q87.5Confident82.9Confident5 Ų569.2 Ų69.22%0.02339%0.385CS..EExtended strand (participates in β ladder)trans-113.1135.5-174.4-55.5-59.9-42.100110.8L257 V288 H301 V304L257-Q266 HydrophobicContact CD2-CB 3.37Å; L257-Q266 HydrophobicContact CD2-CG 3.58Å; L257-Q266 HydrophobicContact CG-CB 3.85Å; Q266-V288 HydrophobicContact CB-CB 4.44Å; Q266-V288 WeakPolarHBondContact O-CG2 3.29Å; Q266-V288 PolarHBondContact O-N 2.79Å; Q266-H301 VanDerWaalsContact NE2-CA 3.32Å; Q266-H301 PolarHBondContact OE1-ND1 3.38Å; Q266-V304 HydrophobicContact CG-CB 3.88Å; Q266-V304 HydrophobicContact CG-CG1 3.96Å; Q266-V304 HydrophobicContact CG-CG2 3.69Å
267I91.1Very high83.1Confident43 Ų4362.9 Ų62.922%0.22136%0.36CS..EExtended strand (participates in β ladder)trans-111.8139.5-176.2-59178.7000109.7R258 D286 L287R258-I267 PolarHBondContact N-O 3.43Å; R258-I267 PolarHBondContact O-N 3.37Å; I267-D286 CarbonylContact C-O 3.52Å; I267-D286 WeakPolarHBondContact CA-O 2.99Å; I267-L287 HydrophobicContact CG1-CD1 4.09Å
268I92.9Very high83.2Confident0 Ų066 Ų660%037%0.374CS..EExtended strand (participates in β ladder)trans-76.7130.9172.8-55.2-55.8000110.7F255 L257 I271 L282 N285 D286 V288 L317F255-I268 HydrophobicContact CB-CG2 4.1Å; F255-I268 HydrophobicContact CD2-CD1 3.9Å; F255-I268 HydrophobicContact CE2-CD1 4.11Å; L257-I268 HydrophobicContact CD1-CD1 3.74Å; I268-I271 HydrophobicContact CG2-CD1 3.79Å; I268-I271 HydrophobicContact CG2-CG1 3.76Å; I268-L282 HydrophobicContact CB-CD2 4.39Å; I268-L282 HydrophobicContact CB-CG 4.48Å; I268-L282 HydrophobicContact CD1-CD2 3.98Å; I268-L282 HydrophobicContact CG1-CD1 4.02Å; I268-L282 HydrophobicContact CG1-CD2 3.95Å; I268-L282 HydrophobicContact CG1-CG 4.06Å; I268-L282 HydrophobicContact CG2-CD2 3.59Å; I268-L282 HydrophobicContact CG2-CG 3.91Å; I268-N285 PolarHBondContact O-N 3.27Å; I268-D286 HydrophobicContact CB-CB 4.22Å; I268-D286 HydrophobicContact CG1-CB 4.01Å; I268-D286 PolarHBondContact N-O 3.43Å; I268-V288 HydrophobicContact CD1-CG2 3.59Å; I268-V288 HydrophobicContact CG1-CG2 4.04Å; I268-L317 HydrophobicContact CD1-CD1 4.49Å
269K91.4Very high83.5Confident59 Ų5963.5 Ų63.526%0.25738%0.384SS..EExtended strand (participates in β ladder)trans-136.6162.6176.6-72.6-66-169.4172.50111.2Y256 R258 I271 N284 N285Y256-K269 PolarHBondContact N-O 3.21Å; Y256-K269 PolarHBondContact O-N 2.95Å; R258-K269 HydrophobicContact CB-CG 4.31Å; K269-I271 VanDerWaalsContact C-N 3.3Å; K269-I271 PolarHBondContact O-N 2.98Å; K269-N284 VanDerWaalsContact C-OD1 3.26Å; K269-N284 WeakPolarHBondContact CA-OD1 3.03Å; K269-N285 VanDerWaalsContact CE-OD1 3.31Å; K269-N285 WeakPolarHBondContact CE-OD1 3.29Å; K269-N285 PolarHBondContact NZ-OD1 2.86Å
270D89.9Confident84.1Confident91 Ų9162.6 Ų62.649%0.48738%0.376SS..  trans49.449.1167.8-52.9-32.9000112.6Y256 E272 N284Y256-D270 HydrophobicContact CD2-CB 3.67Å; Y256-D270 HydrophobicContact CE2-CB 4.34Å; Y256-D270 HydrophobicContact CG-CB 4.36Å; D270-E272 PolarHBondContact O-N 3.28Å; D270-N284 PolarHBondContact N-OD1 2.8Å
271I93.7Very high85.2Confident26 Ų2663.4 Ų63.413%0.13339%0.385CS..PPolyproline II helixtrans-63.3122.8174-61.2178.9000109.3G254 F255 I268 K269 A277 E278 L282 N284G254-I271 WeakPolarHBondContact O-CA 3.46Å; F255-I271 HydrophobicContact CB-CG1 4.2Å; I268-I271 HydrophobicContact CG2-CD1 3.79Å; I268-I271 HydrophobicContact CG2-CG1 3.76Å; K269-I271 VanDerWaalsContact C-N 3.3Å; K269-I271 PolarHBondContact O-N 2.98Å; I271-A277 HydrophobicContact CG2-CB 4.31Å; I271-E278 HydrophobicContact CG2-CB 3.79Å; I271-L282 VanDerWaalsContact CD1-C 3.41Å; I271-L282 HydrophobicContact CD1-CB 4.04Å; I271-L282 HydrophobicContact CD1-CD2 4.37Å; I271-L282 HydrophobicContact CD1-CG 4.12Å; I271-L282 WeakPolarHBondContact CD1-O 3.39Å; I271-N284 PolarHBondContact N-OD1 3.31Å
272E93Very high86.8Confident84 Ų8458.6 Ų58.639%0.39334%0.344SS..PPolyproline II helixtrans-75.7135.5-179.8-66.4176-178.200110.8G254 D270 S275G254-E272 PolarHBondContact O-N 3.36Å; D270-E272 PolarHBondContact O-N 3.28Å; E272-S275 WeakPolarHBondContact O-CB 3.46Å; E272-S275 PolarHBondContact O-N 3.19Å; E272-S275 PolarHBondContact O-OG 3.19Å
273S93.5Very high88.5Confident111 Ų11156.5 Ų56.578%0.77633%0.332SS*.THydrogen-bonded Turntrans-66133.9177.1-60.40000111.9S275S273-S275 PolarHBondContact O-N 3.15Å
274G91.7Very high90.1Very high72 Ų7255.4 Ų55.474%0.74233%0.33SS*.THydrogen-bonded Turntrans75.26.8-175.200000114.3E278G274-E278 PolarHBondContact N-OE2 3.34Å
275S95.5Very high91.4Very high8 Ų852.2 Ų52.26%0.05632%0.32CS..SBendtrans-75.6160.7179.367.20000113.2G254 E272 S273 A277 E278 A279G254-S275 PolarHBondContact O-OG 3.12Å; E272-S275 WeakPolarHBondContact O-CB 3.46Å; E272-S275 PolarHBondContact O-N 3.19Å; E272-S275 PolarHBondContact O-OG 3.19Å; S273-S275 PolarHBondContact O-N 3.15Å; S275-A277 PolarHBondContact O-N 2.99Å; S275-E278 PolarHBondContact O-N 2.72Å; S275-E278 PolarHBondContact OG-N 3.43Å; S275-A279 PolarHBondContact O-N 2.82Å
276P95.2Very high92.1Very high41 Ų4152 Ų5227%0.26632%0.318SS..Hα-helixtrans-55.9-33.9170-25.734.8000113.7I246 K247 A280I246-P276 HydrophobicContact CG2-CB 3.74Å; K247-P276 WeakPolarHBondContact O-CB 3.22Å; P276-A280 VanDerWaalsContact O-CB 3.24Å; P276-A280 WeakPolarHBondContact O-CB 3.45Å; P276-A280 PolarHBondContact O-N 3.23Å
277A94.3Very high92.3Very high0 Ų053.1 Ų53.10%032%0.324CS..Hα-helixtrans-65.5-46.4178.100000112.8I246 Y253 F255 I271 S275 A280 G281 L282I246-A277 HydrophobicContact CD1-CB 4.35Å; Y253-A277 VanDerWaalsContact O-CB 3.26Å; Y253-A277 WeakPolarHBondContact O-CB 3.47Å; Y253-A277 PolarHBondContact O-N 3.29Å; F255-A277 HydrophobicContact CB-CB 4.06Å; F255-A277 HydrophobicContact CD1-CB 3.79Å; F255-A277 HydrophobicContact CG-CB 4.41Å; I271-A277 HydrophobicContact CG2-CB 4.31Å; S275-A277 PolarHBondContact O-N 2.99Å; A277-A280 PolarHBondContact O-N 2.98Å; A277-G281 PolarHBondContact O-N 3.25Å; A277-L282 HydrophobicContact CB-CB 4.36Å; A277-L282 HydrophobicContact CB-CD2 4.04Å; A277-L282 VanDerWaalsContact O-CB 3.26Å; A277-L282 WeakPolarHBondContact O-CB 3.42Å; A277-L282 PolarHBondContact O-N 3.11Å; A277-L282 VanDerWaalsContact O-N 3.1Å
278E93.4Very high92.3Very high94 Ų9451.1 Ų51.144%0.43931%0.314SS..Hα-helixtrans-62.1-45.9175.3-172.8-179.8-122.300110.6I271 G274 S275 A280 G281I271-E278 HydrophobicContact CG2-CB 3.79Å; G274-E278 PolarHBondContact N-OE2 3.34Å; S275-E278 PolarHBondContact O-N 2.72Å; S275-E278 PolarHBondContact OG-N 3.43Å; E278-A280 VanDerWaalsContact C-N 3.26Å; E278-A280 PolarHBondContact O-N 3.48Å; E278-G281 PolarHBondContact O-N 3.16Å
279A92.3Very high92.2Very high90 Ų9051.2 Ų51.274%0.74431%0.314SS*.Hα-helixtrans-62.8-31.5178.800000113.1S275 G281S275-A279 PolarHBondContact O-N 2.82Å; A279-G281 PolarHBondContact O-N 3.47Å
280A91.8Very high92.1Very high37 Ų3748.6 Ų48.631%0.30630%0.303SS..THydrogen-bonded Turntrans-78.4-5.7175.900000113.4V244 I246 P276 A277 E278V244-A280 HydrophobicContact CG1-CB 3.6Å; I246-A280 HydrophobicContact CG1-CB 3.87Å; P276-A280 VanDerWaalsContact O-CB 3.24Å; P276-A280 WeakPolarHBondContact O-CB 3.45Å; P276-A280 PolarHBondContact O-N 3.23Å; A277-A280 PolarHBondContact O-N 2.98Å; E278-A280 VanDerWaalsContact C-N 3.26Å; E278-A280 PolarHBondContact O-N 3.48Å
281G90.8Very high92.2Very high36 Ų3644.3 Ų44.337%0.37128%0.28SS..THydrogen-bonded Turntrans83.618.9178.300000114.6R242 A277 E278 A279R242-G281 PolarHBondContact NH1-O 3.11Å; A277-G281 PolarHBondContact O-N 3.25Å; E278-G281 PolarHBondContact O-N 3.16Å; A279-G281 PolarHBondContact O-N 3.47Å
282L93.4Very high91.9Very high7 Ų746.3 Ų46.34%0.03729%0.292CS..  trans-66.6141.2168.7-159.368.6000109.2V244 I246 F255 I268 I271 A277 L317 V319V244-L282 HydrophobicContact CB-CD1 4.27Å; V244-L282 HydrophobicContact CG1-CB 4.25Å; V244-L282 HydrophobicContact CG1-CD1 4.17Å; V244-L282 HydrophobicContact CG2-CD1 4.12Å; I246-L282 HydrophobicContact CD1-CD2 3.98Å; F255-L282 HydrophobicContact CB-CD2 3.99Å; F255-L282 HydrophobicContact CD1-CD2 3.77Å; F255-L282 HydrophobicContact CD2-CD2 4.46Å; F255-L282 HydrophobicContact CE1-CD2 4.36Å; F255-L282 HydrophobicContact CG-CD2 3.81Å; I268-L282 HydrophobicContact CB-CD2 4.39Å; I268-L282 HydrophobicContact CB-CG 4.48Å; I268-L282 HydrophobicContact CD1-CD2 3.98Å; I268-L282 HydrophobicContact CG1-CD1 4.02Å; I268-L282 HydrophobicContact CG1-CD2 3.95Å; I268-L282 HydrophobicContact CG1-CG 4.06Å; I268-L282 HydrophobicContact CG2-CD2 3.59Å; I268-L282 HydrophobicContact CG2-CG 3.91Å; I271-L282 VanDerWaalsContact CD1-C 3.41Å; I271-L282 HydrophobicContact CD1-CB 4.04Å; I271-L282 HydrophobicContact CD1-CD2 4.37Å; I271-L282 HydrophobicContact CD1-CG 4.12Å; I271-L282 WeakPolarHBondContact CD1-O 3.39Å; A277-L282 HydrophobicContact CB-CB 4.36Å; A277-L282 HydrophobicContact CB-CD2 4.04Å; A277-L282 VanDerWaalsContact O-CB 3.26Å; A277-L282 WeakPolarHBondContact O-CB 3.42Å; A277-L282 PolarHBondContact O-N 3.11Å; A277-L282 VanDerWaalsContact O-N 3.1Å; L282-L317 HydrophobicContact CD1-CD1 4.29Å; L282-V319 HydrophobicContact CD1-CG1 3.98Å; L282-V319 HydrophobicContact CD1-CG2 4.29Å
283K92.6Very high91.4Very high119 Ų11945.2 Ų45.252%0.51730%0.303SS..  trans-122.8151-179.5-59.4178.5-173.1175.40111.6N285 D286K283-N285 PolarHBondContact O-N 3.04Å; K283-D286 WeakPolarHBondContact CB-OD2 3.44Å; K283-D286 PolarHBondContact N-OD2 2.88Å; K283-D286 VanDerWaalsContact O-CB 3.25Å; K283-D286 WeakPolarHBondContact O-CB 3.5Å; K283-D286 PolarHBondContact O-N 2.81Å
284N90.8Very high91Very high80 Ų8045.7 Ų45.743%0.42829%0.293SS..THydrogen-bonded Turntrans-61.1137.6171.5-81.5-36.8000109.8K269 D270 I271 D286K269-N284 VanDerWaalsContact C-OD1 3.26Å; K269-N284 WeakPolarHBondContact CA-OD1 3.03Å; D270-N284 PolarHBondContact N-OD1 2.8Å; I271-N284 PolarHBondContact N-OD1 3.31Å; N284-D286 VanDerWaalsContact C-N 3.3Å
285N88.9Confident90.8Very high87 Ų8745 Ų4547%0.46528%0.276SS..THydrogen-bonded Turntrans749-174.5-46-57.3000115.9I268 K269 K283 L287I268-N285 PolarHBondContact O-N 3.27Å; K269-N285 VanDerWaalsContact CE-OD1 3.31Å; K269-N285 WeakPolarHBondContact CE-OD1 3.29Å; K269-N285 PolarHBondContact NZ-OD1 2.86Å; K283-N285 PolarHBondContact O-N 3.04Å; N285-L287 PolarHBondContact O-N 3.47Å
286D91.6Very high90.5Very high3 Ų344.6 Ų44.62%0.01627%0.274CS..PPolyproline II helixtrans-63.4128.8168.9-77.9-4.5000109.8R242 I267 I268 K283 N284 V319 V320R242-D286 IonicContact CZ-OD1 3.34Å; R242-D286 IonicContact CZ-OD2 2.98Å; R242-D286 IonicContact NH1-OD1 3.83Å; R242-D286 IonicContact NH1-OD2 3.99Å; R242-D286 PolarHBondContact NH1-OD2 2.84Å; R242-D286 IonicContact NH2-OD1 3.51Å; R242-D286 PolarHBondContact NH2-OD1 2.86Å; R242-D286 IonicContact NH2-OD2 2.61Å; R242-D286 PolarHBondContact NH2-OD2 3.43Å; I267-D286 CarbonylContact C-O 3.52Å; I267-D286 WeakPolarHBondContact CA-O 2.99Å; I268-D286 HydrophobicContact CB-CB 4.22Å; I268-D286 HydrophobicContact CG1-CB 4.01Å; I268-D286 PolarHBondContact N-O 3.43Å; K283-D286 WeakPolarHBondContact CB-OD2 3.44Å; K283-D286 PolarHBondContact N-OD2 2.88Å; K283-D286 VanDerWaalsContact O-CB 3.25Å; K283-D286 WeakPolarHBondContact O-CB 3.5Å; K283-D286 PolarHBondContact O-N 2.81Å; N284-D286 VanDerWaalsContact C-N 3.3Å; D286-V319 HydrophobicContact CB-CB 3.97Å; D286-V319 HydrophobicContact CB-CG1 4.4Å; D286-V319 HydrophobicContact CB-CG2 4.11Å; D286-V320 WeakPolarHBondContact CA-O 3.3Å
287L90.8Very high89.9Confident28 Ų2845.4 Ų45.415%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-85.8127.1173178.470000108.9I267 N285 V319 V320 D325I267-L287 HydrophobicContact CG1-CD1 4.09Å; N285-L287 PolarHBondContact O-N 3.47Å; L287-V319 CarbonylContact O-C 3.5Å; L287-V319 WeakPolarHBondContact O-CA 3.25Å; L287-V319 WeakPolarHBondContact O-CB 3.29Å; L287-V320 HydrophobicContact CB-CG2 3.87Å; L287-V320 HydrophobicContact CD2-CG2 4.07Å; L287-V320 HydrophobicContact CG-CG2 4.34Å; L287-V320 PolarHBondContact N-O 3.23Å; L287-V320 PolarHBondContact O-N 3.3Å; L287-D325 HydrophobicContact CD2-CB 4.25Å
288V91.6Very high89.3Confident1 Ų151 Ų511%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-83.2117.5177.2-172.20000109.4L257 Q266 I268 V291 V296 L317 V319L257-V288 HydrophobicContact CD1-CG2 4.38Å; Q266-V288 HydrophobicContact CB-CB 4.44Å; Q266-V288 WeakPolarHBondContact O-CG2 3.29Å; Q266-V288 PolarHBondContact O-N 2.79Å; I268-V288 HydrophobicContact CD1-CG2 3.59Å; I268-V288 HydrophobicContact CG1-CG2 4.04Å; V288-V291 HydrophobicContact CG1-CG2 3.91Å; V288-V296 HydrophobicContact CB-CG2 4.43Å; V288-V296 HydrophobicContact CG1-CG2 3.84Å; V288-L317 HydrophobicContact CG1-CD2 4.43Å; V288-V319 HydrophobicContact CG2-CG1 4.22Å
289V89.4Confident88.9Confident1 Ų149.6 Ų49.61%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-98.6-38.5-178.7-177.30000110.9V296 E297 L318 V320 P335 L336V289-V296 PolarHBondContact O-N 2.84Å; V289-E297 HydrophobicContact CG1-CG 3.9Å; V289-L318 HydrophobicContact CB-CD2 4.22Å; V289-L318 HydrophobicContact CB-CG 4.21Å; V289-L318 HydrophobicContact CG1-CD2 4.16Å; V289-L318 PolarHBondContact N-O 3.44Å; V289-V320 HydrophobicContact CG2-CB 4.42Å; V289-V320 HydrophobicContact CG2-CG1 3.99Å; V289-V320 HydrophobicContact CG2-CG2 3.73Å; V289-P335 HydrophobicContact CG1-CB 4.07Å; V289-P335 HydrophobicContact CG1-CG 4.13Å; V289-P335 HydrophobicContact CG2-CB 4.18Å; V289-P335 HydrophobicContact CG2-CG 4.01Å; V289-L336 HydrophobicContact CG1-CB 4.3Å
290A90.3Very high88.7Confident4 Ų449.5 Ų49.53%0.03329%0.286CS..EExtended strand (participates in β ladder)trans-143.8150.7178.500000112E294 L318 L336A290-E294 CarbonylContact C-O 3.51Å; A290-E294 WeakPolarHBondContact CA-O 3.47Å; A290-E294 VanDerWaalsContact CB-O 3.27Å; A290-E294 WeakPolarHBondContact CB-O 3.45Å; A290-L318 HydrophobicContact CB-CB 3.69Å; A290-L318 HydrophobicContact CB-CD2 4.16Å; A290-L318 PolarHBondContact N-O 3.34Å; A290-L318 PolarHBondContact O-N 3.4Å; A290-L336 HydrophobicContact CB-CD1 3.82Å; A290-L336 HydrophobicContact CB-CG 4.44Å
291V91.8Very high88.5Confident1 Ų151 Ų511%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-124.5123.8172.8178.10000108.1V288 G293 E294 V296 V304 M307 I308 L317V288-V291 HydrophobicContact CG1-CG2 3.91Å; V291-G293 PolarHBondContact O-N 3.39Å; V291-G293 VanDerWaalsContact O-N 3.15Å; V291-E294 PolarHBondContact N-O 2.96Å; V291-E294 PolarHBondContact O-N 2.98Å; V291-V296 HydrophobicContact CB-CG1 3.96Å; V291-V296 HydrophobicContact CG2-CG1 3.74Å; V291-V296 HydrophobicContact CG2-CG2 4.22Å; V291-V304 HydrophobicContact CG2-CG1 4Å; V291-M307 HydrophobicContact CB-CB 4.37Å; V291-M307 HydrophobicContact CG1-CB 4.06Å; V291-I308 HydrophobicContact CB-CG1 4.48Å; V291-I308 HydrophobicContact CG1-CB 4.45Å; V291-I308 HydrophobicContact CG1-CG1 3.65Å; V291-I308 HydrophobicContact CG2-CD1 4.41Å; V291-I308 HydrophobicContact CG2-CG1 3.95Å; V291-L317 HydrophobicContact CB-CD2 4.47Å; V291-L317 HydrophobicContact CG1-CD2 4.3Å; V291-L317 HydrophobicContact CG2-CD2 3.85Å
292N86.9Confident88.4Confident69 Ų6954.5 Ų54.537%0.36930%0.297SS..THydrogen-bonded Turntrans5334.1179.7-58.3-33.5000113.6M307 T316N292-M307 PolarHBondContact ND2-O 3.13Å; N292-T316 PolarHBondContact N-O 3.01Å; N292-T316 PolarHBondContact OD1-N 3.32Å
293G83.4Confident88.2Confident61 Ų6156 Ų5663%0.62931%0.308SS*.THydrogen-bonded Turntrans88.3-5.9179.500000115.2V291V291-G293 PolarHBondContact O-N 3.39Å; V291-G293 VanDerWaalsContact O-N 3.15Å
294E85.3Confident88.1Confident121 Ų12150.3 Ų50.357%0.56528%0.283SS*.EExtended strand (participates in β ladder)trans-101.5135.3178.4-68.1179.6-162.900110.9A290 V291 M307A290-E294 CarbonylContact C-O 3.51Å; A290-E294 WeakPolarHBondContact CA-O 3.47Å; A290-E294 VanDerWaalsContact CB-O 3.27Å; A290-E294 WeakPolarHBondContact CB-O 3.45Å; V291-E294 PolarHBondContact N-O 2.96Å; V291-E294 PolarHBondContact O-N 2.98Å; E294-M307 HydrophobicContact CB-CE 3.47Å; E294-M307 VanDerWaalsContact CB-CE 3.47Å; E294-M307 HydrophobicContact CG-CE 4.34Å; E294-M307 VanDerWaalsContact OE2-CE 3.23Å; E294-M307 WeakPolarHBondContact OE2-CE 3.48Å
295S86.9Confident88.1Confident57 Ų5747.9 Ų47.940%0.39927%0.271SS..EExtended strand (participates in β ladder)trans-62.6139.4178.4-174.80000111.3E297S295-E297 PolarHBondContact OG-OE2 3.25Å
296V89Confident88.2Confident0 Ų050.1 Ų50.10%028%0.279CS..  trans-1248.7176.3-57.70000113.5V288 V289 V291 D298 L299 V304 M307V288-V296 HydrophobicContact CB-CG2 4.43Å; V288-V296 HydrophobicContact CG1-CG2 3.84Å; V289-V296 PolarHBondContact O-N 2.84Å; V291-V296 HydrophobicContact CB-CG1 3.96Å; V291-V296 HydrophobicContact CG2-CG1 3.74Å; V291-V296 HydrophobicContact CG2-CG2 4.22Å; V296-D298 PolarHBondContact O-N 3.42Å; V296-L299 HydrophobicContact CB-CD1 4.16Å; V296-L299 HydrophobicContact CG1-CD1 3.98Å; V296-L299 PolarHBondContact O-N 3.15Å; V296-L299 VanDerWaalsContact O-N 3.16Å; V296-V304 HydrophobicContact CB-CG1 4.39Å; V296-V304 HydrophobicContact CB-CG2 3.74Å; V296-V304 HydrophobicContact CG1-CG1 4.41Å; V296-V304 HydrophobicContact CG1-CG2 4.21Å; V296-V304 HydrophobicContact CG2-CG1 4.35Å; V296-V304 HydrophobicContact CG2-CG2 4.31Å; V296-M307 HydrophobicContact CG1-CE 4.09Å; V296-M307 HydrophobicContact CG1-SD 3.78Å
297E81.9Confident88.2Confident57 Ų5751.5 Ų51.527%0.26629%0.286SS..THydrogen-bonded Turntrans-60.4-31.8-173.8-63.3178.992.400112.9K264 V289 S295 S334K264-E297 WeakPolarHBondContact CB-O 3.46Å; V289-E297 HydrophobicContact CG1-CG 3.9Å; S295-E297 PolarHBondContact OG-OE2 3.25Å; E297-S334 WeakPolarHBondContact OE2-CB 3.49Å; E297-S334 PolarHBondContact OE2-OG 3.01Å
298D82.8Confident88.3Confident119 Ų11950.8 Ų50.864%0.63628%0.282SS*.THydrogen-bonded Turntrans-1044.3-179.5-82.1-56.1000114.4K264 V296K264-D298 WeakPolarHBondContact CD-OD1 3.36Å; K264-D298 IonicContact NZ-OD1 2.8Å; K264-D298 PolarHBondContact NZ-OD1 3.39Å; V296-D298 PolarHBondContact O-N 3.42Å
299L85.8Confident88.1Confident64 Ų6459.6 Ų59.634%0.33532%0.315SS..  trans-90.2148.1-176.9-60.5-175.4000112.4V296 V304 M307V296-L299 HydrophobicContact CB-CD1 4.16Å; V296-L299 HydrophobicContact CG1-CD1 3.98Å; V296-L299 PolarHBondContact O-N 3.15Å; V296-L299 VanDerWaalsContact O-N 3.16Å; L299-V304 HydrophobicContact CB-CG2 3.8Å; L299-M307 HydrophobicContact CD1-SD 3.38Å; L299-M307 WeakPolarHBondContact CD1-SD 3.47Å
300D87.9Confident88.2Confident87 Ų8768.1 Ų68.147%0.46535%0.352SS..  trans-71.4166.4171.268.676.3000111.8D302 S303 V304D300-D302 VanDerWaalsContact C-N 3.34Å; D300-D302 PolarHBondContact O-N 3.03Å; D300-D302 PolarHBondContact OD1-N 3.37Å; D300-S303 PolarHBondContact O-N 3.25Å; D300-S303 PolarHBondContact OD1-N 3.26Å; D300-S303 PolarHBondContact OD1-OG 2.96Å; D300-S303 PolarHBondContact OD2-OG 3.46Å; D300-V304 WeakPolarHBondContact O-CG2 3.46Å; D300-V304 PolarHBondContact O-N 3.28Å; D300-V304 VanDerWaalsContact O-N 3.16Å
301H87.2Confident87.9Confident68 Ų6869.4 Ų69.432%0.31537%0.366SS..Hα-helixtrans-56.3-45.4-176.517975.9000113.5L257 Q266 V304 V305L257-H301 PolarHBondContact O-CE1 2.99Å; Q266-H301 VanDerWaalsContact NE2-CA 3.32Å; Q266-H301 PolarHBondContact OE1-ND1 3.38Å; H301-V304 PolarHBondContact O-N 2.82Å; H301-V305 WeakPolarHBondContact O-CG2 3.44Å; H301-V305 PolarHBondContact O-N 2.93Å
302D88.6Confident87.8Confident110 Ų11071.1 Ų71.159%0.58838%0.383SS*.Hα-helixtrans-68.8-42.9-174.2-66.4-27000110.1D300 V304 V305 E306D300-D302 VanDerWaalsContact C-N 3.34Å; D300-D302 PolarHBondContact O-N 3.03Å; D300-D302 PolarHBondContact OD1-N 3.37Å; D302-V304 VanDerWaalsContact C-N 3.34Å; D302-V304 PolarHBondContact O-N 3.38Å; D302-V305 PolarHBondContact O-N 3.18Å; D302-V305 VanDerWaalsContact O-N 3.17Å; D302-E306 WeakPolarHBondContact O-CG 3.16Å; D302-E306 PolarHBondContact O-N 3.38Å
303S89.4Confident88Confident39 Ų3973 Ų7327%0.27339%0.393SS..Hα-helixtrans-55.5-45.5174-68.10000112.2D300 E306 M307D300-S303 PolarHBondContact O-N 3.25Å; D300-S303 PolarHBondContact OD1-N 3.26Å; D300-S303 PolarHBondContact OD1-OG 2.96Å; D300-S303 PolarHBondContact OD2-OG 3.46Å; S303-E306 PolarHBondContact O-N 2.88Å; S303-M307 WeakPolarHBondContact O-CG 3.36Å; S303-M307 PolarHBondContact O-N 3.2Å
304V89.6Confident88.4Confident0 Ų075.1 Ų75.10%039%0.387CS..Hα-helixtrans-66.1-41177.9-1780000111.8L257 Q266 V291 V296 L299 D300 H301 D302 E306 M307 I308L257-V304 HydrophobicContact CD2-CB 4.22Å; L257-V304 HydrophobicContact CD2-CG1 3.68Å; Q266-V304 HydrophobicContact CG-CB 3.88Å; Q266-V304 HydrophobicContact CG-CG1 3.96Å; Q266-V304 HydrophobicContact CG-CG2 3.69Å; V291-V304 HydrophobicContact CG2-CG1 4Å; V296-V304 HydrophobicContact CB-CG1 4.39Å; V296-V304 HydrophobicContact CB-CG2 3.74Å; V296-V304 HydrophobicContact CG1-CG1 4.41Å; V296-V304 HydrophobicContact CG1-CG2 4.21Å; V296-V304 HydrophobicContact CG2-CG1 4.35Å; V296-V304 HydrophobicContact CG2-CG2 4.31Å; L299-V304 HydrophobicContact CB-CG2 3.8Å; D300-V304 WeakPolarHBondContact O-CG2 3.46Å; D300-V304 PolarHBondContact O-N 3.28Å; D300-V304 VanDerWaalsContact O-N 3.16Å; H301-V304 PolarHBondContact O-N 2.82Å; D302-V304 VanDerWaalsContact C-N 3.34Å; D302-V304 PolarHBondContact O-N 3.38Å; V304-E306 VanDerWaalsContact C-N 3.34Å; V304-E306 PolarHBondContact O-N 3.36Å; V304-M307 PolarHBondContact O-N 3.3Å; V304-I308 HydrophobicContact CG1-CD1 4.23Å; V304-I308 WeakPolarHBondContact O-CG1 3.44Å; V304-I308 PolarHBondContact O-N 2.94Å
305V90.9Very high88.7Confident29 Ų2969.3 Ų69.318%0.17636%0.36CS..Hα-helixtrans-63.1-41.3176.9170.50000111.1L257 H301 D302 I308 R309L257-V305 HydrophobicContact CD2-CG2 4.48Å; H301-V305 WeakPolarHBondContact O-CG2 3.44Å; H301-V305 PolarHBondContact O-N 2.93Å; D302-V305 PolarHBondContact O-N 3.18Å; D302-V305 VanDerWaalsContact O-N 3.17Å; V305-I308 PolarHBondContact O-N 3.12Å; V305-R309 HydrophobicContact CG1-CG 4.47Å; V305-R309 WeakPolarHBondContact O-CB 3.48Å; V305-R309 VanDerWaalsContact O-CG 3.31Å; V305-R309 WeakPolarHBondContact O-CG 3.37Å; V305-R309 PolarHBondContact O-N 3.46Å
306E91.8Very high89Confident133 Ų13368.5 Ų68.562%0.62135%0.353SS*.Hα-helixtrans-61.1-43.1174.9-74.5-170167.600112D302 S303 V304 I308 R309 K310D302-E306 WeakPolarHBondContact O-CG 3.16Å; D302-E306 PolarHBondContact O-N 3.38Å; S303-E306 PolarHBondContact O-N 2.88Å; V304-E306 VanDerWaalsContact C-N 3.34Å; V304-E306 PolarHBondContact O-N 3.36Å; E306-I308 PolarHBondContact O-N 2.98Å; E306-R309 PolarHBondContact O-N 3.06Å; E306-K310 WeakPolarHBondContact O-CB 3.34Å; E306-K310 PolarHBondContact O-N 3.37Å
307M91.6Very high89.2Confident33 Ų3368.5 Ų68.516%0.16335%0.353CS..Hα-helixtrans-61.6-41.6176.6-70.2179.17700112.7V291 N292 E294 V296 L299 S303 V304 K310 G311V291-M307 HydrophobicContact CB-CB 4.37Å; V291-M307 HydrophobicContact CG1-CB 4.06Å; N292-M307 PolarHBondContact ND2-O 3.13Å; E294-M307 HydrophobicContact CB-CE 3.47Å; E294-M307 VanDerWaalsContact CB-CE 3.47Å; E294-M307 HydrophobicContact CG-CE 4.34Å; E294-M307 VanDerWaalsContact OE2-CE 3.23Å; E294-M307 WeakPolarHBondContact OE2-CE 3.48Å; V296-M307 HydrophobicContact CG1-CE 4.09Å; V296-M307 HydrophobicContact CG1-SD 3.78Å; L299-M307 HydrophobicContact CD1-SD 3.38Å; L299-M307 WeakPolarHBondContact CD1-SD 3.47Å; S303-M307 WeakPolarHBondContact O-CG 3.36Å; S303-M307 PolarHBondContact O-N 3.2Å; V304-M307 PolarHBondContact O-N 3.3Å; M307-K310 PolarHBondContact O-N 3.33Å; M307-G311 PolarHBondContact O-N 2.96Å
308I91.6Very high89.6Confident13 Ų1366.3 Ų66.37%0.06734%0.343CS..Hα-helixtrans-64.1-44.4175.6-65.8170.1000110.2Y253 L257 V291 V304 V305 E306 K310 G311 A315 L317Y253-I308 HydrophobicContact CE2-CG2 4.12Å; L257-I308 HydrophobicContact CD1-CD1 3.92Å; L257-I308 HydrophobicContact CD2-CD1 4.38Å; V291-I308 HydrophobicContact CB-CG1 4.48Å; V291-I308 HydrophobicContact CG1-CB 4.45Å; V291-I308 HydrophobicContact CG1-CG1 3.65Å; V291-I308 HydrophobicContact CG2-CD1 4.41Å; V291-I308 HydrophobicContact CG2-CG1 3.95Å; V304-I308 HydrophobicContact CG1-CD1 4.23Å; V304-I308 WeakPolarHBondContact O-CG1 3.44Å; V304-I308 PolarHBondContact O-N 2.94Å; V305-I308 PolarHBondContact O-N 3.12Å; E306-I308 PolarHBondContact O-N 2.98Å; I308-K310 VanDerWaalsContact C-N 3.33Å; I308-K310 PolarHBondContact O-N 3.37Å; I308-G311 PolarHBondContact O-N 2.85Å; I308-A315 HydrophobicContact CG2-CB 4.11Å; I308-L317 HydrophobicContact CD1-CD2 4.27Å; I308-L317 HydrophobicContact CG1-CD2 4.22Å
309R89.2Confident90Very high186 Ų18660.7 Ų60.770%0.70231%0.312SS*.Hα-helixtrans-64.4-36.5179.2-74.3174177172.12.3112.5V305 E306 G311 G312V305-R309 HydrophobicContact CG1-CG 4.47Å; V305-R309 WeakPolarHBondContact O-CB 3.48Å; V305-R309 VanDerWaalsContact O-CG 3.31Å; V305-R309 WeakPolarHBondContact O-CG 3.37Å; V305-R309 PolarHBondContact O-N 3.46Å; E306-R309 PolarHBondContact O-N 3.06Å; R309-G311 PolarHBondContact O-N 3.07Å; R309-G312 PolarHBondContact O-N 2.84Å
310K89.6Confident90.2Very high180 Ų18057.7 Ų57.778%0.78330%0.297SS*.Hα-helixtrans-61.9-26.6177.3-171.4-179.5176.1-171.30112.5E306 M307 I308 G312E306-K310 WeakPolarHBondContact O-CB 3.34Å; E306-K310 PolarHBondContact O-N 3.37Å; M307-K310 PolarHBondContact O-N 3.33Å; I308-K310 VanDerWaalsContact C-N 3.33Å; I308-K310 PolarHBondContact O-N 3.37Å; K310-G312 PolarHBondContact O-N 3.18Å
311G83.9Confident90.3Very high31 Ų3155.2 Ų55.232%0.3228%0.283SS..THydrogen-bonded Turntrans-67.4-10.3173.200000114.8M307 I308 R309 D313 Q314M307-G311 PolarHBondContact O-N 2.96Å; I308-G311 PolarHBondContact O-N 2.85Å; R309-G311 PolarHBondContact O-N 3.07Å; G311-D313 PolarHBondContact O-N 3.16Å; G311-Q314 CarbonylContact C-O 3.6Å; G311-Q314 VanDerWaalsContact O-O 3.08Å
312G90.2Very high90.2Very high37 Ų3757.8 Ų57.838%0.38129%0.294SS..THydrogen-bonded Turntrans75.2-121.9178.800000112.3Y253 R309 K310Y253-G312 PolarHBondContact OH-O 3.03Å; R309-G312 PolarHBondContact O-N 2.84Å; K310-G312 PolarHBondContact O-N 3.18Å
313D91.8Very high90Very high108 Ų10857 Ų5758%0.57829%0.287SS*.THydrogen-bonded Turntrans-91.23.6-178.3-69.1-24.7000113.5K247 K248 G311K247-D313 CarbonylContact C-O 3.57Å; K247-D313 WeakPolarHBondContact CA-O 3.29Å; K248-D313 HydrophobicContact CB-CB 4.26Å; K248-D313 WeakPolarHBondContact CB-O 3.08Å; K248-D313 PolarHBondContact N-O 2.99Å; G311-D313 PolarHBondContact O-N 3.16Å
314Q91.8Very high89.9Confident105 Ų10555.2 Ų55.249%0.49127%0.274SS..EExtended strand (participates in β ladder)trans-133.3141174.3-175.7173.585.400110.1V245 I246 Y253 G311V245-Q314 HydrophobicContact CG1-CG 3.96Å; I246-Q314 WeakPolarHBondContact O-CA 3.35Å; Y253-Q314 PolarHBondContact OH-N 2.76Å; G311-Q314 CarbonylContact C-O 3.6Å; G311-Q314 VanDerWaalsContact O-O 3.08Å
315A92.1Very high89.6Confident0 Ų056.5 Ų56.50%028%0.281CS..EExtended strand (participates in β ladder)trans-130.3131.3172.300000109.5I246 Y253 I308I246-A315 PolarHBondContact N-O 3.39Å; I246-A315 PolarHBondContact O-N 2.86Å; Y253-A315 HydrophobicContact CE1-CB 4.05Å; I308-A315 HydrophobicContact CG2-CB 4.11Å
316T92Very high89.3Confident40 Ų4057.8 Ų57.825%0.24529%0.285CS..EExtended strand (participates in β ladder)trans-105.7114.7170.8-61.10000108.3V243 V244 V245 N292V243-T316 HydrophobicContact CG1-CG2 3.76Å; V244-T316 WeakPolarHBondContact O-CA 3.4Å; V245-T316 HydrophobicContact CG2-CG2 4.16Å; N292-T316 PolarHBondContact N-O 3.01Å; N292-T316 PolarHBondContact OD1-N 3.32Å
317L93.3Very high89.1Confident0 Ų051.6 Ų51.60%026%0.256CS..EExtended strand (participates in β ladder)trans-109.8129-179.7-54.4-179.2000109.5V244 I246 F255 I268 L282 V288 V291 I308 V319V244-L317 PolarHBondContact N-O 3.2Å; V244-L317 PolarHBondContact O-N 2.99Å; I246-L317 HydrophobicContact CD1-CD1 4.02Å; F255-L317 HydrophobicContact CE1-CD1 4.34Å; F255-L317 HydrophobicContact CZ-CD1 4.11Å; I268-L317 HydrophobicContact CD1-CD1 4.49Å; L282-L317 HydrophobicContact CD1-CD1 4.29Å; V288-L317 HydrophobicContact CG1-CD2 4.43Å; V291-L317 HydrophobicContact CB-CD2 4.47Å; V291-L317 HydrophobicContact CG1-CD2 4.3Å; V291-L317 HydrophobicContact CG2-CD2 3.85Å; I308-L317 HydrophobicContact CD1-CD2 4.27Å; I308-L317 HydrophobicContact CG1-CD2 4.22Å; L317-V319 HydrophobicContact CB-CG1 3.97Å
318L90.3Very high88.6Confident11 Ų1150.1 Ų50.16%0.05825%0.249CC..EExtended strand (participates in β ladder)trans-91.3118.9162.7-179.262.5000107.8P241 V243 V289 A290 L336 C339P241-L318 HydrophobicContact CB-CD1 3.63Å; P241-L318 HydrophobicContact CB-CG 4.42Å; V243-L318 HydrophobicContact CG2-CD1 3.96Å; V289-L318 HydrophobicContact CB-CD2 4.22Å; V289-L318 HydrophobicContact CB-CG 4.21Å; V289-L318 HydrophobicContact CG1-CD2 4.16Å; V289-L318 PolarHBondContact N-O 3.44Å; A290-L318 HydrophobicContact CB-CB 3.69Å; A290-L318 HydrophobicContact CB-CD2 4.16Å; A290-L318 PolarHBondContact N-O 3.34Å; A290-L318 PolarHBondContact O-N 3.4Å; L318-L336 HydrophobicContact CD2-CB 4.29Å; L318-L336 HydrophobicContact CD2-CG 4.35Å; L318-C339 WeakPolarHBondContact CD1-SG 3.4Å
319V91.8Very high88.2Confident0 Ų054.2 Ų54.20%026%0.263CS..EExtended strand (participates in β ladder)trans-127.7151.8-177.9-560000113R242 V244 L282 D286 L287 V288 L317R242-V319 HydrophobicContact CB-CG2 4Å; R242-V319 PolarHBondContact N-O 3.06Å; R242-V319 PolarHBondContact O-N 2.95Å; V244-V319 HydrophobicContact CG2-CG2 3.95Å; L282-V319 HydrophobicContact CD1-CG1 3.98Å; L282-V319 HydrophobicContact CD1-CG2 4.29Å; D286-V319 HydrophobicContact CB-CB 3.97Å; D286-V319 HydrophobicContact CB-CG1 4.4Å; D286-V319 HydrophobicContact CB-CG2 4.11Å; L287-V319 CarbonylContact O-C 3.5Å; L287-V319 WeakPolarHBondContact O-CA 3.25Å; L287-V319 WeakPolarHBondContact O-CB 3.29Å; V288-V319 HydrophobicContact CG2-CG1 4.22Å; L317-V319 HydrophobicContact CB-CG1 3.97Å
320V89.9Confident87.9Confident1 Ų147.8 Ų47.81%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-126.2146.5173.7-65.70000110.1P241 D286 L287 V289 A324 D325 P335P241-V320 HydrophobicContact CB-CG1 3.93Å; P241-V320 HydrophobicContact CG-CG1 3.93Å; D286-V320 WeakPolarHBondContact CA-O 3.3Å; L287-V320 HydrophobicContact CB-CG2 3.87Å; L287-V320 HydrophobicContact CD2-CG2 4.07Å; L287-V320 HydrophobicContact CG-CG2 4.34Å; L287-V320 PolarHBondContact N-O 3.23Å; L287-V320 PolarHBondContact O-N 3.3Å; V289-V320 HydrophobicContact CG2-CB 4.42Å; V289-V320 HydrophobicContact CG2-CG1 3.99Å; V289-V320 HydrophobicContact CG2-CG2 3.73Å; V320-A324 HydrophobicContact CB-CB 3.83Å; V320-A324 HydrophobicContact CG1-CB 4.27Å; V320-D325 HydrophobicContact CG2-CB 3.98Å; V320-P335 HydrophobicContact CG1-CB 3.71Å; V320-P335 HydrophobicContact CG1-CG 3.94Å
321D89.1Confident87.3Confident35 Ų3539.3 Ų39.319%0.18721%0.206CC..  trans-77.5172.9167.958.930.8000110.5H239 E323 A324 D325H239-D321 IonicContact ND1-OD1 2.83Å; H239-D321 IonicContact ND1-OD2 3.32Å; H239-D321 PolarHBondContact ND1-OD2 3.43Å; D321-E323 VanDerWaalsContact C-N 3.29Å; D321-E323 PolarHBondContact O-N 3.14Å; D321-E323 PolarHBondContact OD1-N 2.87Å; D321-A324 PolarHBondContact O-N 3.35Å; D321-A324 WeakPolarHBondContact OD1-CB 3.33Å; D321-A324 PolarHBondContact OD1-N 3.04Å; D321-D325 WeakPolarHBondContact O-CB 3.44Å; D321-D325 PolarHBondContact O-N 3.4Å
322K85.1Confident87Confident123 Ų12345.1 Ų45.154%0.53522%0.218SC..Hα-helixtrans-60.8-40.8-177.2-177.3179.6176.4179.30111.7D325 E326K322-D325 PolarHBondContact O-N 3.38Å; K322-E326 WeakPolarHBondContact CE-OE1 3.47Å; K322-E326 WeakPolarHBondContact O-CG 3.47Å; K322-E326 PolarHBondContact O-N 3.06Å
323E86.1Confident86.3Confident94 Ų9444.1 Ų44.144%0.43920%0.204SC..Hα-helixtrans-65.5-44.9179.9-67.969.5-154.200111.3D321 E326 I327D321-E323 VanDerWaalsContact C-N 3.29Å; D321-E323 PolarHBondContact O-N 3.14Å; D321-E323 PolarHBondContact OD1-N 2.87Å; E323-E326 PolarHBondContact O-N 3.46Å; E323-I327 WeakPolarHBondContact O-CD1 3.39Å; E323-I327 VanDerWaalsContact O-CG1 3.26Å; E323-I327 WeakPolarHBondContact O-CG1 3.47Å; E323-I327 PolarHBondContact O-N 2.77Å
324A85.5Confident85.3Confident1 Ų140.7 Ų40.71%0.00819%0.188CC..Hα-helixtrans-58.7-50.3172.200000111.1H239 V320 D321 E326 I327 Y328H239-A324 HydrophobicContact CB-CB 3.79Å; H239-A324 WeakPolarHBondContact O-CB 3.24Å; V320-A324 HydrophobicContact CB-CB 3.83Å; V320-A324 HydrophobicContact CG1-CB 4.27Å; D321-A324 PolarHBondContact O-N 3.35Å; D321-A324 WeakPolarHBondContact OD1-CB 3.33Å; D321-A324 PolarHBondContact OD1-N 3.04Å; A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 PolarHBondContact O-N 3.07Å; A324-I327 WeakPolarHBondContact O-CA 3.2Å; A324-I327 WeakPolarHBondContact O-CB 3.43Å; A324-I327 PolarHBondContact O-N 2.92Å; A324-Y328 HydrophobicContact CB-CD2 4.3Å; A324-Y328 HydrophobicContact CB-CE2 4.39Å; A324-Y328 WeakPolarHBondContact O-CD2 3.46Å; A324-Y328 PolarHBondContact O-N 3.33Å
325D84.7Confident84.5Confident26 Ų2635.9 Ų35.914%0.13917%0.166CC..Hα-helixtrans-54.6-43.9178174.442.4000112L287 V320 D321 K322 I327 R329L287-D325 HydrophobicContact CD2-CB 4.25Å; V320-D325 HydrophobicContact CG2-CB 3.98Å; D321-D325 WeakPolarHBondContact O-CB 3.44Å; D321-D325 PolarHBondContact O-N 3.4Å; K322-D325 PolarHBondContact O-N 3.38Å; D325-I327 PolarHBondContact O-N 2.94Å; D325-R329 VanDerWaalsContact CG-CZ 3.43Å; D325-R329 VanDerWaalsContact CG-NH1 3.28Å; D325-R329 WeakPolarHBondContact O-CB 3.35Å; D325-R329 VanDerWaalsContact O-CG 3.29Å; D325-R329 WeakPolarHBondContact O-CG 3.13Å; D325-R329 PolarHBondContact O-N 3.37Å; D325-R329 IonicContact OD1-CZ 3.73Å; D325-R329 IonicContact OD1-NE 3.84Å; D325-R329 IonicContact OD1-NH1 2.75Å; D325-R329 PolarHBondContact OD1-NH1 2.98Å; D325-R329 IonicContact OD1-NH2 2.73Å; D325-R329 IonicContact OD2-CZ 3.7Å; D325-R329 IonicContact OD2-NE 3.99Å; D325-R329 IonicContact OD2-NH1 3.74Å; D325-R329 PolarHBondContact OD2-NH1 2.97Å; D325-R329 IonicContact OD2-NH2 2.79Å; D325-R329 PolarHBondContact OD2-NH2 3.2Å
326E84.6Confident83.6Confident57 Ų5736.9 Ų36.927%0.26617%0.171SC..Hα-helixtrans-58.9-43.6171.8-72.9178.6-164.600113.1R206 K322 E323 A324 L330R206-E326 IonicContact CZ-OE2 2.72Å; R206-E326 IonicContact NH1-OE2 2.91Å; R206-E326 PolarHBondContact NH1-OE2 2.82Å; K322-E326 WeakPolarHBondContact CE-OE1 3.47Å; K322-E326 WeakPolarHBondContact O-CG 3.47Å; K322-E326 PolarHBondContact O-N 3.06Å; E323-E326 PolarHBondContact O-N 3.46Å; A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 PolarHBondContact O-N 3.07Å; E326-L330 WeakPolarHBondContact O-CB 3.26Å; E326-L330 PolarHBondContact O-N 2.84Å
327I86.6Confident82.5Confident3 Ų338 Ų382%0.01518%0.175CC..Hα-helixtrans-64.6-50.1179.2-67.9160.3000111.1Y137 M208 L237 P238 H239 E323 A324 D325 R329 L330 A331Y137-I327 HydrophobicContact CD1-CD1 4.26Å; Y137-I327 HydrophobicContact CD1-CG1 4.15Å; Y137-I327 HydrophobicContact CD2-CG1 4.32Å; Y137-I327 HydrophobicContact CD2-CG2 4.4Å; Y137-I327 HydrophobicContact CE1-CD1 4.04Å; Y137-I327 HydrophobicContact CE1-CG1 3.84Å; Y137-I327 HydrophobicContact CE2-CG1 4.01Å; Y137-I327 HydrophobicContact CG-CG1 4.34Å; Y137-I327 HydrophobicContact CG-CG2 4.32Å; M208-I327 HydrophobicContact CE-CG2 3.72Å; M208-I327 WeakPolarHBondContact CE-O 3.07Å; L237-I327 HydrophobicContact CD1-CG2 4.19Å; L237-I327 HydrophobicContact CD2-CG2 4.11Å; P238-I327 HydrophobicContact CG-CD1 3.92Å; H239-I327 HydrophobicContact CB-CD1 4.31Å; E323-I327 WeakPolarHBondContact O-CD1 3.39Å; E323-I327 VanDerWaalsContact O-CG1 3.26Å; E323-I327 WeakPolarHBondContact O-CG1 3.47Å; E323-I327 PolarHBondContact O-N 2.77Å; A324-I327 WeakPolarHBondContact O-CA 3.2Å; A324-I327 WeakPolarHBondContact O-CB 3.43Å; A324-I327 PolarHBondContact O-N 2.92Å; D325-I327 PolarHBondContact O-N 2.94Å; I327-R329 VanDerWaalsContact C-N 3.33Å; I327-R329 PolarHBondContact O-N 3.12Å; I327-L330 PolarHBondContact O-N 2.86Å; I327-A331 WeakPolarHBondContact O-CB 3.15Å; I327-A331 PolarHBondContact O-N 3.19Å
328Y82.6Confident81.2Confident2 Ų238.5 Ų38.51%0.00818%0.177CC..Hα-helixtrans-66.1-35.1-178.2-79.9-81.9000112.1L234 L237 P241 A324 A331 R332 F333 P335 Y338L234-Y328 HydrophobicContact CD1-CE1 4.46Å; L237-Y328 HydrophobicContact CD1-CD1 4.35Å; L237-Y328 HydrophobicContact CD1-CE1 3.86Å; P241-Y328 WeakPolarHBondContact CD-OH 3.38Å; P241-Y328 HydrophobicContact CG-CE2 3.93Å; A324-Y328 HydrophobicContact CB-CD2 4.3Å; A324-Y328 HydrophobicContact CB-CE2 4.39Å; A324-Y328 WeakPolarHBondContact O-CD2 3.46Å; A324-Y328 PolarHBondContact O-N 3.33Å; Y328-A331 WeakPolarHBondContact O-CB 3.43Å; Y328-A331 PolarHBondContact O-N 3.02Å; Y328-R332 PolarHBondContact O-N 3.07Å; Y328-F333 HydrophobicContact CD1-CB 4.4Å; Y328-F333 PolarHBondContact O-N 2.78Å; Y328-F333 VanDerWaalsContact O-N 3.07Å; Y328-P335 HydrophobicContact CD1-CB 4.14Å; Y328-P335 HydrophobicContact CD1-CG 4.1Å; Y328-P335 HydrophobicContact CD2-CB 4.29Å; Y328-P335 HydrophobicContact CD2-CG 4.13Å; Y328-P335 HydrophobicContact CE1-CB 4.37Å; Y328-P335 HydrophobicContact CG-CB 4.14Å; Y328-P335 HydrophobicContact CG-CG 3.76Å; Y328-Y338 WeakPolarHBondContact OH-CD2 3.42Å
329R82.6Confident79.8Confident98 Ų9839.2 Ų39.237%0.3718%0.183SC..Hα-helixtrans-65.8-43.8170.7-75.7-168.6-60.6-123-9.7113.1H263 D325 I327 A331 R332H263-R329 PolarHBondContact CD2-NH1 2.96Å; H263-R329 PolarHBondContact NE2-NH1 2.61Å; D325-R329 VanDerWaalsContact CG-CZ 3.43Å; D325-R329 VanDerWaalsContact CG-NH1 3.28Å; D325-R329 WeakPolarHBondContact O-CB 3.35Å; D325-R329 VanDerWaalsContact O-CG 3.29Å; D325-R329 WeakPolarHBondContact O-CG 3.13Å; D325-R329 PolarHBondContact O-N 3.37Å; D325-R329 IonicContact OD1-CZ 3.73Å; D325-R329 IonicContact OD1-NE 3.84Å; D325-R329 IonicContact OD1-NH1 2.75Å; D325-R329 PolarHBondContact OD1-NH1 2.98Å; D325-R329 IonicContact OD1-NH2 2.73Å; D325-R329 IonicContact OD2-CZ 3.7Å; D325-R329 IonicContact OD2-NE 3.99Å; D325-R329 IonicContact OD2-NH1 3.74Å; D325-R329 PolarHBondContact OD2-NH1 2.97Å; D325-R329 IonicContact OD2-NH2 2.79Å; D325-R329 PolarHBondContact OD2-NH2 3.2Å; I327-R329 VanDerWaalsContact C-N 3.33Å; I327-R329 PolarHBondContact O-N 3.12Å; R329-A331 PolarHBondContact O-N 3.14Å; R329-R332 PolarHBondContact O-N 3.07Å
330L83Confident78.2Confident52 Ų5244.2 Ų44.227%0.27221%0.206SC..Hα-helixtrans-63.4-34.8176.4-171.766.5000111.3Y137 N184 M208 E326 I327 R332Y137-L330 HydrophobicContact CD2-CD2 4.25Å; Y137-L330 HydrophobicContact CE2-CD2 3.87Å; N184-L330 HydrophobicContact CB-CD1 4.02Å; M208-L330 HydrophobicContact CB-CD2 3.98Å; M208-L330 HydrophobicContact CB-CG 3.98Å; E326-L330 WeakPolarHBondContact O-CB 3.26Å; E326-L330 PolarHBondContact O-N 2.84Å; I327-L330 PolarHBondContact O-N 2.86Å; L330-R332 VanDerWaalsContact C-N 3.26Å; L330-R332 PolarHBondContact O-N 3.3Å
331A76.4Confident76.4Confident1 Ų147.7 Ų47.71%0.00823%0.231CC..Hα-helixtrans-69.6-23.5173.200000113.2L135 M208 I327 Y328 R329 F333L135-A331 HydrophobicContact CD2-CB 3.58Å; M208-A331 HydrophobicContact CE-CB 3.64Å; M208-A331 HydrophobicContact CG-CB 4.39Å; M208-A331 HydrophobicContact SD-CB 4.46Å; I327-A331 WeakPolarHBondContact O-CB 3.15Å; I327-A331 PolarHBondContact O-N 3.19Å; Y328-A331 WeakPolarHBondContact O-CB 3.43Å; Y328-A331 PolarHBondContact O-N 3.02Å; R329-A331 PolarHBondContact O-N 3.14Å; A331-F333 VanDerWaalsContact C-N 3.26Å; A331-F333 HydrophobicContact CB-CB 4.4Å; A331-F333 HydrophobicContact CB-CD2 3.63Å; A331-F333 HydrophobicContact CB-CE2 4.41Å; A331-F333 HydrophobicContact CB-CG 4.5Å; A331-F333 WeakPolarHBondContact O-CD2 3.27Å
332R77.4Confident74.4Confident153 Ų15351.5 Ų51.558%0.57725%0.247SC*.THydrogen-bonded Turntrans56.339.8-166.8-56.5-175.8174.2176.6-0.1112.3G185 Y328 R329 L330G185-R332 PolarHBondContact O-NH1 3.16Å; Y328-R332 PolarHBondContact O-N 3.07Å; R329-R332 PolarHBondContact O-N 3.07Å; L330-R332 VanDerWaalsContact C-N 3.26Å; L330-R332 PolarHBondContact O-N 3.3Å
333F74.9Confident72Confident17 Ų1753.2 Ų53.28%0.07526%0.257CS..  trans-116.2140.6172-75.3-97000110L135 R229 A232 L234 Y328 A331 L337L135-F333 HydrophobicContact CD1-CE2 4.06Å; L135-F333 HydrophobicContact CD2-CD2 3.95Å; L135-F333 HydrophobicContact CD2-CE2 3.79Å; L135-F333 HydrophobicContact CG-CE2 4.5Å; R229-F333 HydrophobicContact CB-CZ 4.44Å; R229-F333 HydrophobicContact CG-CE1 3.9Å; R229-F333 HydrophobicContact CG-CE2 3.59Å; R229-F333 HydrophobicContact CG-CZ 3.18Å; R229-F333 VanDerWaalsContact O-CE1 3.31Å; R229-F333 WeakPolarHBondContact O-CE1 3.37Å; R229-F333 WeakPolarHBondContact O-CZ 3.4Å; A232-F333 HydrophobicContact CB-CZ 4Å; L234-F333 HydrophobicContact CD1-CD1 4.46Å; L234-F333 HydrophobicContact CD2-CD1 4.08Å; L234-F333 HydrophobicContact CD2-CD2 4.29Å; L234-F333 HydrophobicContact CD2-CE1 4.15Å; L234-F333 HydrophobicContact CD2-CE2 4.37Å; L234-F333 HydrophobicContact CD2-CG 4.11Å; L234-F333 HydrophobicContact CD2-CZ 4.24Å; Y328-F333 HydrophobicContact CD1-CB 4.4Å; Y328-F333 PolarHBondContact O-N 2.78Å; Y328-F333 VanDerWaalsContact O-N 3.07Å; A331-F333 VanDerWaalsContact C-N 3.26Å; A331-F333 HydrophobicContact CB-CB 4.4Å; A331-F333 HydrophobicContact CB-CD2 3.63Å; A331-F333 HydrophobicContact CB-CE2 4.41Å; A331-F333 HydrophobicContact CB-CG 4.5Å; A331-F333 WeakPolarHBondContact O-CD2 3.27Å; F333-L337 HydrophobicContact CD1-CD1 4.01Å
334S72.4Confident69.1Low35 Ų3555 Ų5525%0.24527%0.269CS..  trans-69.9133.3165.6171.20000109E297 L336 L337E297-S334 WeakPolarHBondContact OE2-CB 3.49Å; E297-S334 PolarHBondContact OE2-OG 3.01Å; S334-L336 PolarHBondContact O-N 3.05Å; S334-L336 VanDerWaalsContact OG-CB 3.28Å; S334-L336 WeakPolarHBondContact OG-CB 3.14Å; S334-L336 PolarHBondContact OG-N 3.27Å; S334-L337 PolarHBondContact O-N 3.3Å; S334-L337 VanDerWaalsContact O-N 3.11Å
335P74.1Confident66.2Low5 Ų560.7 Ų60.73%0.03231%0.306CS..THydrogen-bonded Turntrans-58.3-17.6172.9-18.328.3000113.1P241 V289 V320 Y328 L337 Y338P241-P335 HydrophobicContact CB-CB 4.5Å; P241-P335 HydrophobicContact CG-CB 3.82Å; V289-P335 HydrophobicContact CG1-CB 4.07Å; V289-P335 HydrophobicContact CG1-CG 4.13Å; V289-P335 HydrophobicContact CG2-CB 4.18Å; V289-P335 HydrophobicContact CG2-CG 4.01Å; V320-P335 HydrophobicContact CG1-CB 3.71Å; V320-P335 HydrophobicContact CG1-CG 3.94Å; Y328-P335 HydrophobicContact CD1-CB 4.14Å; Y328-P335 HydrophobicContact CD1-CG 4.1Å; Y328-P335 HydrophobicContact CD2-CB 4.29Å; Y328-P335 HydrophobicContact CD2-CG 4.13Å; Y328-P335 HydrophobicContact CE1-CB 4.37Å; Y328-P335 HydrophobicContact CG-CB 4.14Å; Y328-P335 HydrophobicContact CG-CG 3.76Å; P335-L337 VanDerWaalsContact C-N 3.31Å; P335-L337 PolarHBondContact O-N 3.45Å; P335-Y338 WeakPolarHBondContact O-CB 3.41Å; P335-Y338 PolarHBondContact O-N 3Å
336L73.7Confident63.3Low20 Ų2066.5 Ų66.511%0.10534%0.337CS..Hα-helixtrans-64.6-34.1176.7-159.1155.6000112.5V289 A290 L318 S334 Y338 C339 Q340V289-L336 HydrophobicContact CG1-CB 4.3Å; A290-L336 HydrophobicContact CB-CD1 3.82Å; A290-L336 HydrophobicContact CB-CG 4.44Å; L318-L336 HydrophobicContact CD2-CB 4.29Å; L318-L336 HydrophobicContact CD2-CG 4.35Å; S334-L336 PolarHBondContact O-N 3.05Å; S334-L336 VanDerWaalsContact OG-CB 3.28Å; S334-L336 WeakPolarHBondContact OG-CB 3.14Å; S334-L336 PolarHBondContact OG-N 3.27Å; L336-Y338 PolarHBondContact O-N 3.35Å; L336-C339 PolarHBondContact O-N 2.94Å; L336-Q340 VanDerWaalsContact CD2-CD 3.4Å; L336-Q340 HydrophobicContact CD2-CG 3.89Å; L336-Q340 PolarHBondContact O-N 2.88Å
337L69.4Low60.6Low64 Ų6467.4 Ų67.434%0.33536%0.362SS..Hα-helixtrans-64.4-26.4175.9-68.5172.1000112.4L234 F333 S334 P335 S341L234-L337 HydrophobicContact CD1-CB 4.35Å; F333-L337 HydrophobicContact CD1-CD1 4.01Å; S334-L337 PolarHBondContact O-N 3.3Å; S334-L337 VanDerWaalsContact O-N 3.11Å; P335-L337 VanDerWaalsContact C-N 3.31Å; P335-L337 PolarHBondContact O-N 3.45Å; L337-S341 WeakPolarHBondContact O-CB 3.47Å; L337-S341 PolarHBondContact O-N 3.22Å; L337-S341 PolarHBondContact O-OG 2.97Å
338Y64.3Low57.8Low10 Ų1072.7 Ų72.74%0.03940%0.399CS..Hα-helixtrans-62.8-42.7175.7-174.2-95.6000111.9L234 Q240 P241 Y328 P335 L336 S341 Q342L234-Y338 HydrophobicContact CB-CD2 3.6Å; L234-Y338 HydrophobicContact CB-CE2 4.13Å; L234-Y338 HydrophobicContact CD1-CD2 4.3Å; L234-Y338 WeakPolarHBondContact O-CE2 3.47Å; Q240-Y338 HydrophobicContact CB-CE1 3.92Å; Q240-Y338 HydrophobicContact CG-CE1 4.15Å; Q240-Y338 HydrophobicContact CG-CE2 4.41Å; Q240-Y338 WeakPolarHBondContact CG-OH 3.49Å; Q240-Y338 PolarHBondContact NE2-OH 3.35Å; Q240-Y338 PolarHBondContact OE1-OH 3.19Å; P241-Y338 HydrophobicContact CB-CD1 4.33Å; P241-Y338 VanDerWaalsContact CD-CD1 3.5Å; P241-Y338 HydrophobicContact CG-CD1 3.84Å; P241-Y338 HydrophobicContact CG-CG 4.03Å; Y328-Y338 WeakPolarHBondContact OH-CD2 3.42Å; P335-Y338 WeakPolarHBondContact O-CB 3.41Å; P335-Y338 PolarHBondContact O-N 3Å; L336-Y338 PolarHBondContact O-N 3.35Å; Y338-S341 PolarHBondContact O-OG 3.31Å; Y338-Q342 PolarHBondContact OH-NE2 3.19Å
339C61.7Low55.1Low27 Ų2779.4 Ų79.418%0.18244%0.44CS..Hα-helixtrans-75.9-40178.8-68.70000112L318 L336 S341 Q342 E343L318-C339 WeakPolarHBondContact CD1-SG 3.4Å; L336-C339 PolarHBondContact O-N 2.94Å; C339-S341 PolarHBondContact O-N 3.33Å; C339-Q342 PolarHBondContact O-N 3.28Å; C339-E343 PolarHBondContact O-N 2.8Å; C339-E343 VanDerWaalsContact O-N 3.14Å
340Q59.1Low52.4Low104 Ų10484.1 Ų84.149%0.48646%0.463SS..Hα-helixtrans-63.3-30.3176.6-71.1-179.4-10.500113L336 Q342L336-Q340 VanDerWaalsContact CD2-CD 3.4Å; L336-Q340 HydrophobicContact CD2-CG 3.89Å; L336-Q340 PolarHBondContact O-N 2.88Å; Q340-Q342 VanDerWaalsContact C-N 3.33Å
341S51.8Low49.6Very low74 Ų7490.7 Ų90.752%0.51749%0.492SS..THydrogen-bonded Turntrans-78.6-13.4175.555.30000114.1L337 Y338 C339L337-S341 WeakPolarHBondContact O-CB 3.47Å; L337-S341 PolarHBondContact O-N 3.22Å; L337-S341 PolarHBondContact O-OG 2.97Å; Y338-S341 PolarHBondContact O-OG 3.31Å; C339-S341 PolarHBondContact O-N 3.33Å
342Q47.2Very low47.1Very low115 Ų11596.9 Ų96.954%0.53753%0.53SS..THydrogen-bonded Turntrans-90.4-26.5170.8-67.9-171.228.400112.7Y338 C339 Q340Y338-Q342 PolarHBondContact OH-NE2 3.19Å; C339-Q342 PolarHBondContact O-N 3.28Å; Q340-Q342 VanDerWaalsContact C-N 3.33Å
343E33.6Very low44.7Very low160 Ų16095.6 Ų95.675%0.74854%0.541SS*.  trans-99.474.4177-66.6-173164.500111.8C339C339-E343 PolarHBondContact O-N 2.8Å; C339-E343 VanDerWaalsContact O-N 3.14Å
344L24.8Very low42.2Very low131 Ų13199.2 Ų99.269%0.68657%0.574SS**  trans-136.8104.4155.4-72175.2000108.8
345P25.3Very low40.1Very low121 Ų121103.3 Ų103.379%0.78660%0.6SS**SBend-123.9102.596.233.8-25.8000110.9
346N24.5Very low38.1Very low147 Ų147109.5 Ų109.579%0.78664%0.638SS**  trans172.9127.9130.4-93-20.7000109.8
347G28.1Very low36Very low76 Ų76114.3 Ų114.378%0.78467%0.67SS**  trans-64.6140.1176.100000112.3
348S26Very low34Very low115 Ų115115.6 Ų115.680%0.80469%0.69SS**  trans-162.486.6143.3-154.10000108.5
349V26.4Very low32.4Very low142 Ų142123.2 Ų123.286%0.86173%0.73SS**  trans-119.8113.5152.7-173.40000105.6E351V349-E351 PolarHBondContact O-N 3.34Å; V349-E351 VanDerWaalsContact O-N 3.11Å
350K26.6Very low30.7Very low197 Ų197129.2 Ų129.286%0.85776%0.76SS**  trans-53.6110.4174.8-87.3172.6166.3174.80109.7
351E23.7Very low29.1Very low190 Ų190132.5 Ų132.589%0.88878%0.775SS**PPolyproline II helixtrans-78.6127.5161-95.2-174.6153.600110V349V349-E351 PolarHBondContact O-N 3.34Å; V349-E351 VanDerWaalsContact O-N 3.11Å
352V23.7Very low28Very low131 Ų131134 Ų13479%0.79479%0.791SS**PPolyproline II helixtrans-79135.1166.3175.50000107.3
353P26.5Very low26.9Very low126 Ų126134.9 Ų134.982%0.81881%0.805SS**PPolyproline II helixtrans-81.6129.4-173.129.9-27.5000110.9
354A23.9Very low27Very low93 Ų93132.5 Ų132.577%0.76981%0.806SS**  trans-127.7153.4166.700000110.2
355P27.3Very low27.5Very low121 Ų121131.8 Ų131.879%0.78681%0.809SS**  trans-93.8157.3-136.634.7-34.3000114.9
356V33.1Very low27.6Very low136 Ų136133.2 Ų133.282%0.82481%0.81SS**  trans-57.2135.2173-174.60000111.5
357P29.4Very low27.8Very low121 Ų121132.6 Ų132.679%0.78681%0.812SS**  trans-106.2138.51527.413.1000111.3
358A26.6Very low28.3Very low90 Ų90135.1 Ų135.174%0.74481%0.812SS**  trans-69.2151.1-176.500000113.5
359L30.4Very low28.9Very low170 Ų170138.3 Ų138.389%0.8981%0.814SS**  trans-57.4127.8165.1-15895.1000110.2
360L26.6Very low29.6Very low153 Ų153136.7 Ų136.780%0.80180%0.801SS**  trans-139.8114.2161.4-75.7179.4000111.3
361E25.5Very low30.3Very low174 Ų174132.5 Ų132.581%0.81380%0.803SS**  trans33.3137.2135.8-64.9-178.7163.100122.1
362A29.1Very low31.4Very low104 Ų104125.9 Ų125.986%0.8679%0.786SS**  trans-67.2137.418000000112.9
363T22.9Very low33Very low135 Ų135125.5 Ų125.583%0.82878%0.779SS**  trans-130.4115.4158.5-29.30000107.9
364S37.4Very low35Very low109 Ų109121.7 Ų121.776%0.76275%0.751SS**  trans-66.8146.2169.944.40000111.2
365P34Very low37.3Very low116 Ų116122.4 Ų122.475%0.75374%0.736SS**  trans-104.8125.6148.826.7-12.4000110.1
366D27.3Very low40Very low151 Ų151116.7 Ų116.781%0.80770%0.7SS**  trans-55126.6154-104.4-36.8000109.7
367T28.6Very low42.4Very low134 Ų134113.1 Ų113.182%0.82267%0.673SS**  trans-142105.3144.680000107.5E369T367-E369 PolarHBondContact O-N 3.09Å
368T38.3Very low45.1Very low129 Ų129109.6 Ų109.679%0.79165%0.647SS**  trans-6996.3166.4450000109.4
369E39.4Very low47.8Very low182 Ų182105.4 Ų105.485%0.8561%0.612SS**  trans-140.6121.8151.5-71.1-163.5161.900109.1T367T367-E369 PolarHBondContact O-N 3.09Å
370D41.5Very low50.5Low109 Ų109103.1 Ų103.158%0.58359%0.592SS**  trans61.370.6165.5-145.512.5000119.6G372 H374D370-G372 PolarHBondContact O-N 2.93Å; D370-H374 PolarHBondContact O-CE1 3.28Å; D370-H374 PolarHBondContact O-ND1 2.64Å
371A41.8Very low53.3Low108 Ų10895.9 Ų95.989%0.89355%0.554SS**THydrogen-bonded Turntrans-75.513.2169.300000114.1
372G46.9Very low56Low52 Ų5292.1 Ų92.154%0.53654%0.538SS..THydrogen-bonded Turntrans-91.2-30.7-177.300000115.6D370D370-G372 PolarHBondContact O-N 2.93Å
373D57.2Low58.4Low122 Ų12289.2 Ų89.265%0.65251%0.506SS*.SBendtrans-116.25-156.2-150.828.8000115.7K375D373-K375 PolarHBondContact O-N 2.96Å
374H66.7Low60.9Low46 Ų4686.6 Ų86.621%0.21349%0.49CS..  trans-100.532.7-172.8-57.688.7000113.4D370 A459 Y462 F463D370-H374 PolarHBondContact O-CE1 3.28Å; D370-H374 PolarHBondContact O-ND1 2.64Å; H374-A459 HydrophobicContact CB-CB 4.19Å; H374-Y462 HydrophobicContact CB-CD1 3.97Å; H374-Y462 HydrophobicContact CB-CE1 4.37Å; H374-Y462 HydrophobicContact CB-CG 4.31Å; H374-Y462 AromaticContact CD2-CG 3.87Å; H374-F463 WeakPolarHBondContact O-CE2 3.26Å; H374-F463 WeakPolarHBondContact O-CZ 3.33Å
375K74.3Confident62.6Low108 Ų10889.1 Ų89.147%0.4750%0.495SS..  trans-90.4134-177.9-67.4-177.4179.4178.60111.9D373 D476D373-K375 PolarHBondContact O-N 2.96Å; K375-D476 WeakPolarHBondContact CD-OD1 3.3Å; K375-D476 IonicContact NZ-OD1 3.21Å; K375-D476 PolarHBondContact NZ-OD1 3.16Å; K375-D476 IonicContact NZ-OD2 2.78Å
376P82.4Confident64.3Low2 Ų289.8 Ų89.81%0.01349%0.492CS..  trans-66.8153.6168.929.6-33.3000110.5L453 V454 I470 L474 A475P376-L453 HydrophobicContact CB-CD1 4.03Å; P376-V454 CarbonylContact C-O 3.58Å; P376-V454 WeakPolarHBondContact CA-O 3.34Å; P376-I470 HydrophobicContact CB-CG2 3.78Å; P376-I470 HydrophobicContact CG-CG2 4.03Å; P376-L474 WeakPolarHBondContact CD-O 3.38Å; P376-L474 HydrophobicContact CG-CB 3.77Å; P376-A475 HydrophobicContact CG-CB 4.25Å; P376-A475 WeakPolarHBondContact O-CA 3.5Å; P376-A475 WeakPolarHBondContact O-CB 3.43Å
377K84.9Confident66.7Low60 Ų6084.9 Ų84.926%0.26147%0.47SS..EExtended strand (participates in β ladder)trans-106133.4178.7-56174.3-172.3168.80109.1E418 D421 V454K377-E418 IonicContact NZ-OE1 2.84Å; K377-E418 PolarHBondContact NZ-OE1 2.75Å; K377-E418 IonicContact NZ-OE2 3.66Å; K377-E418 PolarHBondContact NZ-OE2 3.45Å; K377-D421 IonicContact NZ-OD2 3.79Å; K377-V454 HydrophobicContact CB-CG2 3.85Å; K377-V454 PolarHBondContact N-O 3.4Å; K377-V454 PolarHBondContact O-N 2.8Å
378L84.5Confident69.3Low47 Ų4779.4 Ų79.425%0.24643%0.434CS..EExtended strand (participates in β ladder)trans-103.2106172-172.668.3000108.8T451 L453 A475 L478L378-T451 HydrophobicContact CD1-CG2 3.58Å; L378-T451 HydrophobicContact CG-CG2 4.04Å; L378-L453 HydrophobicContact CB-CD1 4.49Å; L378-L453 HydrophobicContact CD1-CB 4.27Å; L378-L453 HydrophobicContact CD1-CD1 4.18Å; L378-A475 HydrophobicContact CB-CB 3.83Å; L378-L478 HydrophobicContact CD2-CD2 4.31Å; L378-L478 HydrophobicContact CG-CD2 4.41Å
379C85.1Confident71.2Confident2 Ų273.2 Ų73.21%0.01440%0.397CS..EExtended strand (participates in β ladder)trans-108.5124.3-170.5-610000110.1L381 A415 L417 T451 L452C379-L381 HydrophobicContact CB-CD1 4.11Å; C379-A415 HydrophobicContact CB-CB 4.24Å; C379-A415 WeakPolarHBondContact CB-O 3.29Å; C379-A415 PolarHBondContact SG-O 2.83Å; C379-L417 HydrophobicContact CB-CD1 3.18Å; C379-L417 VanDerWaalsContact SG-CD1 3.57Å; C379-T451 CarbonylContact O-C 3.59Å; C379-T451 WeakPolarHBondContact O-CA 3.35Å; C379-L452 PolarHBondContact N-O 3.49Å; C379-L452 PolarHBondContact O-N 2.94Å
380R85.9Confident73.3Confident123 Ų12365.8 Ų65.846%0.46436%0.361SS..EExtended strand (participates in β ladder)trans-106.3113.1177.5-172.2-179.1-178.9-138-6.2108.9A415 E449 L478R380-A415 WeakPolarHBondContact O-CB 3.46Å; R380-E449 HydrophobicContact CG-CG 4.36Å; R380-E449 IonicContact CZ-OE1 3.43Å; R380-E449 IonicContact CZ-OE2 2.71Å; R380-E449 VanDerWaalsContact NE-CD 3.34Å; R380-E449 IonicContact NE-OE1 3.9Å; R380-E449 PolarHBondContact NE-OE1 3Å; R380-E449 IonicContact NE-OE2 3.91Å; R380-E449 IonicContact NH2-OE1 3.99Å; R380-E449 PolarHBondContact NH2-OE1 3.19Å; R380-E449 IonicContact NH2-OE2 3.89Å; R380-E449 PolarHBondContact NH2-OE2 2.79Å; R380-L478 HydrophobicContact CB-CD2 4.19Å
381L86.6Confident74.8Confident1 Ų165.1 Ų65.11%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-108.4132-175.8-59.888.1000110.1C379 Y388 F390 A412 A415 L417 E449 V450 L452C379-L381 HydrophobicContact CB-CD1 4.11Å; L381-Y388 HydrophobicContact CB-CD1 3.77Å; L381-Y388 HydrophobicContact CB-CE1 4.36Å; L381-Y388 HydrophobicContact CB-CG 4.49Å; L381-F390 HydrophobicContact CD2-CD1 3.84Å; L381-F390 HydrophobicContact CD2-CE1 3.75Å; L381-A412 HydrophobicContact CD2-CB 3.72Å; L381-A415 HydrophobicContact CD1-CB 4.38Å; L381-A415 HydrophobicContact CG-CB 3.85Å; L381-L417 HydrophobicContact CD1-CD1 3.87Å; L381-L417 HydrophobicContact CD2-CD1 4.3Å; L381-L417 HydrophobicContact CD2-CD2 4.16Å; L381-L417 HydrophobicContact CG-CD1 4.43Å; L381-E449 WeakPolarHBondContact O-CA 3.5Å; L381-V450 HydrophobicContact CB-CG1 3.91Å; L381-V450 HydrophobicContact CD1-CG1 4.19Å; L381-V450 PolarHBondContact N-O 3.04Å; L381-V450 PolarHBondContact O-N 2.89Å; L381-L452 HydrophobicContact CD1-CB 4.41Å; L381-L452 HydrophobicContact CD1-CD1 3.75Å; L381-L452 HydrophobicContact CD1-CG 3.95Å
382I81.5Confident76.4Confident94 Ų9461 Ų6148%0.48232%0.317SS..EExtended strand (participates in β ladder)trans-108.2130.7172.2-57.3173.5000107.7P411 E448I382-P411 WeakPolarHBondContact O-CB 3.16Å; I382-E448 WeakPolarHBondContact CA-O 3.17Å
383K78.9Confident77.3Confident43 Ų4361.3 Ų61.319%0.18731%0.307CS..  trans-67.9133.9-176.5-156.8179.4-163.5-177.90110.4N386 Y388 E448K383-N386 WeakPolarHBondContact CE-O 3.41Å; K383-N386 WeakPolarHBondContact CE-OD1 3.43Å; K383-N386 PolarHBondContact NZ-OD1 2.65Å; K383-Y388 HydrophobicContact CB-CD1 4.1Å; K383-Y388 HydrophobicContact CB-CE1 3.72Å; K383-Y388 HydrophobicContact CG-CD1 4.38Å; K383-Y388 HydrophobicContact CG-CE1 4.21Å; K383-E448 WeakPolarHBondContact CB-O 3.28Å; K383-E448 PolarHBondContact N-O 2.92Å
384V75.1Confident77.8Confident81 Ų8157.6 Ų57.649%0.49129%0.293SS..BIsolated β-bridgetrans-127.2132.1173.5179.80000107.6N386 S387 P411V384-N386 PolarHBondContact O-N 3.22Å; V384-N386 VanDerWaalsContact O-N 3.13Å; V384-S387 PolarHBondContact N-O 3.1Å; V384-S387 PolarHBondContact O-N 2.87Å; V384-P411 HydrophobicContact CB-CG 3.81Å; V384-P411 HydrophobicContact CG2-CG 3.67Å
385D73.4Confident77.1Confident162 Ų16258.7 Ų58.787%0.86630%0.3SS*.THydrogen-bonded Turntrans49.140.7-176.4-60.7-38.5000113.5S387D385-S387 PolarHBondContact O-N 2.84Å
386N70.8Confident75.6Confident130 Ų13063.1 Ų63.170%0.69532%0.322SS*.THydrogen-bonded Turntrans64.121.3179.8-151.129.4000114.9K383 V384K383-N386 WeakPolarHBondContact CE-O 3.41Å; K383-N386 WeakPolarHBondContact CE-OD1 3.43Å; K383-N386 PolarHBondContact NZ-OD1 2.65Å; V384-N386 PolarHBondContact O-N 3.22Å; V384-N386 VanDerWaalsContact O-N 3.13Å
387S76.6Confident73.8Confident48 Ų4866.9 Ų66.934%0.33636%0.362SS..BIsolated β-bridgetrans-134.4151.1174.9-176.10000112.1V384 D385 G389V384-S387 PolarHBondContact N-O 3.1Å; V384-S387 PolarHBondContact O-N 2.87Å; D385-S387 PolarHBondContact O-N 2.84Å; S387-G389 PolarHBondContact OG-N 3.21Å; S387-G389 VanDerWaalsContact OG-N 3.1Å
388Y82.9Confident72.1Confident18 Ų1869.1 Ų69.17%0.07137%0.373CS..  trans-90.7-5.1169.8-66.4-67000112.7L381 K383 F390 A412 I443 G447 V450L381-Y388 HydrophobicContact CB-CD1 3.77Å; L381-Y388 HydrophobicContact CB-CE1 4.36Å; L381-Y388 HydrophobicContact CB-CG 4.49Å; K383-Y388 HydrophobicContact CB-CD1 4.1Å; K383-Y388 HydrophobicContact CB-CE1 3.72Å; K383-Y388 HydrophobicContact CG-CD1 4.38Å; K383-Y388 HydrophobicContact CG-CE1 4.21Å; Y388-F390 HydrophobicContact CG-CE1 4.32Å; Y388-A412 VanDerWaalsContact O-CB 3.28Å; Y388-A412 WeakPolarHBondContact O-CB 2.79Å; Y388-A412 PolarHBondContact O-N 3.37Å; Y388-I443 HydrophobicContact CD2-CG2 4.21Å; Y388-I443 HydrophobicContact CE2-CG2 4.14Å; Y388-G447 PolarHBondContact OH-O 3.29Å; Y388-V450 HydrophobicContact CD1-CG1 3.97Å; Y388-V450 HydrophobicContact CD2-CG1 4.29Å; Y388-V450 HydrophobicContact CE1-CB 4.39Å; Y388-V450 HydrophobicContact CE1-CG1 3.67Å; Y388-V450 HydrophobicContact CE2-CG1 4.01Å; Y388-V450 HydrophobicContact CG-CG1 4.26Å
389G78.3Confident70.6Confident0 Ų070.7 Ų70.70%039%0.386CS..SBendtrans78.724.7175.700000115.2S387 Q407S387-G389 PolarHBondContact OG-N 3.21Å; S387-G389 VanDerWaalsContact OG-N 3.1Å; G389-Q407 PolarHBondContact O-N 3.19Å
390F84.4Confident69.6Low25 Ų2571.2 Ų71.211%0.1139%0.392CS..  trans-144.3161171.473.8-81000110.7L381 Y388 L392 V403 V406 A412 L417 I443 L452L381-F390 HydrophobicContact CD2-CD1 3.84Å; L381-F390 HydrophobicContact CD2-CE1 3.75Å; Y388-F390 HydrophobicContact CG-CE1 4.32Å; F390-L392 HydrophobicContact CE2-CD1 4.35Å; F390-V403 HydrophobicContact CB-CG1 4.05Å; F390-V403 HydrophobicContact CD2-CG1 4.06Å; F390-V403 HydrophobicContact CD2-CG2 4.3Å; F390-V403 HydrophobicContact CG-CG1 4.35Å; F390-V406 HydrophobicContact CB-CG2 4.13Å; F390-A412 HydrophobicContact CB-CB 3.82Å; F390-A412 HydrophobicContact CD1-CB 3.91Å; F390-A412 HydrophobicContact CG-CB 4.26Å; F390-L417 HydrophobicContact CB-CD2 4.39Å; F390-L417 HydrophobicContact CD1-CD2 3.96Å; F390-L417 HydrophobicContact CD2-CD2 4.17Å; F390-L417 HydrophobicContact CE1-CD2 4.24Å; F390-L417 HydrophobicContact CE2-CD2 4.45Å; F390-L417 HydrophobicContact CG-CD2 3.91Å; F390-L417 HydrophobicContact CZ-CD2 4.48Å; F390-I443 HydrophobicContact CZ-CD1 4.4Å; F390-I443 HydrophobicContact CZ-CG2 4.4Å; F390-L452 HydrophobicContact CE1-CD1 4.22Å; F390-L452 HydrophobicContact CZ-CD1 3.83Å
391H72.8Confident69.3Low95 Ų9565.5 Ų65.544%0.4437%0.371SS..EExtended strand (participates in β ladder)trans-107.7140.8171.8-68.2-101.9000110.2K404 E405H391-K404 WeakPolarHBondContact CA-O 3.45Å; H391-K404 WeakPolarHBondContact CB-O 3.13Å; H391-K404 PolarHBondContact N-O 2.72Å; H391-K404 PolarHBondContact O-N 2.94Å; H391-K404 VanDerWaalsContact O-O 3.08Å; H391-E405 HydrophobicContact CB-CB 4.26Å; H391-E405 IonicContact CD2-OE2 3.91Å; H391-E405 PolarHBondContact CD2-OE2 2.84Å; H391-E405 IonicContact CE1-OE2 3.94Å; H391-E405 IonicContact CG-OE2 3.99Å; H391-E405 IonicContact ND1-OE2 2.8Å; H391-E405 IonicContact NE2-OE2 2.7Å
392L76.3Confident69.2Low21 Ų2166 Ų6611%0.1137%0.373CS..EExtended strand (participates in β ladder)trans-97135.4173.2-165.474.1000109.2F390 I423 Y436 V439 V440 I443F390-L392 HydrophobicContact CE2-CD1 4.35Å; L392-I423 HydrophobicContact CD1-CD1 3.24Å; L392-I423 HydrophobicContact CD1-CG1 4.06Å; L392-Y436 HydrophobicContact CB-CE2 3.91Å; L392-Y436 HydrophobicContact CD2-CD2 3.94Å; L392-Y436 HydrophobicContact CD2-CE2 3.66Å; L392-Y436 HydrophobicContact CG-CD2 4.23Å; L392-Y436 HydrophobicContact CG-CE2 3.66Å; L392-Y436 WeakPolarHBondContact O-CE2 3.45Å; L392-Y436 PolarHBondContact O-OH 2.84Å; L392-V439 HydrophobicContact CD2-CB 4.15Å; L392-V439 HydrophobicContact CD2-CG1 3.87Å; L392-V440 HydrophobicContact CD2-CG2 3.64Å; L392-I443 HydrophobicContact CD1-CD1 4.49Å; L392-I443 HydrophobicContact CD2-CD1 4.2Å
393N65.8Low69.3Low59 Ų5961.5 Ų61.532%0.31635%0.35SS..EExtended strand (participates in β ladder)trans-132.1158.1178.1-165.814.7000111.2F402N393-F402 HydrophobicContact CB-CD2 4.08Å; N393-F402 HydrophobicContact CB-CE1 4.08Å; N393-F402 HydrophobicContact CB-CE2 3.52Å; N393-F402 HydrophobicContact CB-CZ 3.51Å; N393-F402 VanDerWaalsContact CG-CZ 3.4Å; N393-F402 PolarHBondContact N-O 2.97Å; N393-F402 WeakPolarHBondContact ND2-CE2 3.24Å; N393-F402 WeakPolarHBondContact ND2-CZ 3.35Å; N393-F402 VanDerWaalsContact O-CD1 3.28Å; N393-F402 WeakPolarHBondContact O-CD1 3.41Å; N393-F402 WeakPolarHBondContact O-CE1 3.38Å; N393-F402 PolarHBondContact O-N 3.09Å
394A66.3Low69.3Low44 Ų4463.2 Ų63.236%0.36436%0.358SS..  trans-138.8136.3175.100000109.4Y436A394-Y436 HydrophobicContact CB-CD2 3.65Å; A394-Y436 HydrophobicContact CB-CE2 4.46Å; A394-Y436 HydrophobicContact CB-CG 4Å
395I52.7Low69.1Low69 Ų6964.7 Ų64.735%0.35436%0.359SS..  trans-107.6128.4179.4-71.1157.6000107.7G397 Q398 F402I395-G397 PolarHBondContact O-N 3.13Å; I395-Q398 HydrophobicContact CB-CB 4.26Å; I395-Q398 HydrophobicContact CB-CG 4.27Å; I395-Q398 HydrophobicContact CG2-CB 4.46Å; I395-Q398 HydrophobicContact CG2-CG 4.02Å; I395-Q398 PolarHBondContact O-N 2.94Å; I395-F402 HydrophobicContact CB-CE1 4.15Å; I395-F402 HydrophobicContact CD1-CD1 4.5Å; I395-F402 HydrophobicContact CD1-CE1 3.48Å; I395-F402 VanDerWaalsContact CD1-CE1 3.48Å; I395-F402 HydrophobicContact CD1-CE2 4.29Å; I395-F402 HydrophobicContact CD1-CZ 3.34Å; I395-F402 HydrophobicContact CG1-CE1 3.5Å; I395-F402 HydrophobicContact CG1-CZ 3.49Å; I395-F402 VanDerWaalsContact CG1-CZ 3.49Å
396Q42.3Very low69.7Low201 Ų20158.3 Ų58.394%0.93933%0.326SS*.THydrogen-bonded Turntrans-57.7113.8177.6-168176.310.100110.3
397G45.1Very low69.9Low82 Ų8256.9 Ų56.985%0.84532%0.315SS*.THydrogen-bonded Turntrans93.94.5-179.600000116.3I395I395-G397 PolarHBondContact O-N 3.13Å
398Q48.8Very low70.1Confident106 Ų10664.1 Ų64.150%0.49534%0.34SS..SBendtrans-106137.4167.8-68.2-171.115.200110.8I395I395-Q398 HydrophobicContact CB-CB 4.26Å; I395-Q398 HydrophobicContact CB-CG 4.27Å; I395-Q398 HydrophobicContact CG2-CB 4.46Å; I395-Q398 HydrophobicContact CG2-CG 4.02Å; I395-Q398 PolarHBondContact O-N 2.94Å
399P52.8Low69.8Low80 Ų8065.3 Ų65.352%0.51936%0.358SS..SBendtrans-75.3132.717929.1-32.1000111.2Y460P399-Y460 HydrophobicContact CG-CE1 4.47Å
400G63.7Low70.1Confident14 Ų1466 Ų6614%0.14437%0.365CS..SBendtrans90.1160.4177.500000115.4Q432G400-Q432 PolarHBondContact N-O 3.42Å
401S80.6Confident70.1Confident3 Ų365.8 Ų65.82%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-93.7145.4171.1-60.30000109.8I423S401-I423 PolarHBondContact O-N 2.89Å
402F83.8Confident70.8Confident11 Ų1161.3 Ų61.35%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-125.3153.8-177.459.4-84.1000112.8N393 I395 K404 D421N393-F402 HydrophobicContact CB-CD2 4.08Å; N393-F402 HydrophobicContact CB-CE1 4.08Å; N393-F402 HydrophobicContact CB-CE2 3.52Å; N393-F402 HydrophobicContact CB-CZ 3.51Å; N393-F402 VanDerWaalsContact CG-CZ 3.4Å; N393-F402 PolarHBondContact N-O 2.97Å; N393-F402 WeakPolarHBondContact ND2-CE2 3.24Å; N393-F402 WeakPolarHBondContact ND2-CZ 3.35Å; N393-F402 VanDerWaalsContact O-CD1 3.28Å; N393-F402 WeakPolarHBondContact O-CD1 3.41Å; N393-F402 WeakPolarHBondContact O-CE1 3.38Å; N393-F402 PolarHBondContact O-N 3.09Å; I395-F402 HydrophobicContact CB-CE1 4.15Å; I395-F402 HydrophobicContact CD1-CD1 4.5Å; I395-F402 HydrophobicContact CD1-CE1 3.48Å; I395-F402 VanDerWaalsContact CD1-CE1 3.48Å; I395-F402 HydrophobicContact CD1-CE2 4.29Å; I395-F402 HydrophobicContact CD1-CZ 3.34Å; I395-F402 HydrophobicContact CG1-CE1 3.5Å; I395-F402 HydrophobicContact CG1-CZ 3.49Å; I395-F402 VanDerWaalsContact CG1-CZ 3.49Å; F402-K404 HydrophobicContact CE2-CD 4.43Å; F402-D421 CarbonylContact C-O 3.59Å; F402-D421 VanDerWaalsContact CA-O 3.25Å; F402-D421 WeakPolarHBondContact CA-O 3.37Å
403V83.6Confident71.1Confident0 Ų063.6 Ų63.60%036%0.358CS..EExtended strand (participates in β ladder)trans-79.9138.4179177.30000109.6F390 V406 L417 E418 E420 D421 I423F390-V403 HydrophobicContact CB-CG1 4.05Å; F390-V403 HydrophobicContact CD2-CG1 4.06Å; F390-V403 HydrophobicContact CD2-CG2 4.3Å; F390-V403 HydrophobicContact CG-CG1 4.35Å; V403-V406 HydrophobicContact CG1-CG2 3.39Å; V403-L417 HydrophobicContact CB-CD2 4.42Å; V403-L417 HydrophobicContact CG1-CB 4.37Å; V403-L417 HydrophobicContact CG1-CD2 3.82Å; V403-L417 HydrophobicContact CG1-CG 4.35Å; V403-L417 HydrophobicContact CG2-CD2 3.68Å; V403-L417 HydrophobicContact CG2-CG 4.21Å; V403-E418 WeakPolarHBondContact CG1-O 3.25Å; V403-E420 PolarHBondContact O-N 3.37Å; V403-D421 HydrophobicContact CB-CB 4.23Å; V403-D421 HydrophobicContact CG2-CB 4.21Å; V403-D421 PolarHBondContact N-O 3.4Å; V403-I423 HydrophobicContact CG2-CD1 4.34Å; V403-I423 HydrophobicContact CG2-CG1 4.16Å
404K79Confident72Confident79 Ų7968.7 Ų68.734%0.34338%0.377SS..EExtended strand (participates in β ladder)trans-148.2157.6175.8-162172.7178.51730110.8H391 F402 V406 D419H391-K404 WeakPolarHBondContact CA-O 3.45Å; H391-K404 WeakPolarHBondContact CB-O 3.13Å; H391-K404 PolarHBondContact N-O 2.72Å; H391-K404 PolarHBondContact O-N 2.94Å; H391-K404 VanDerWaalsContact O-O 3.08Å; F402-K404 HydrophobicContact CE2-CD 4.43Å; K404-V406 VanDerWaalsContact C-N 3.31Å; K404-V406 PolarHBondContact O-N 3.42Å; K404-D419 VanDerWaalsContact C-OD1 3.3Å
405E71.1Confident72.9Confident112 Ų11267.7 Ų67.752%0.52337%0.369SS..  trans55.945.8175.5-70.2168.5-158.200112H391 Q407 D419H391-E405 HydrophobicContact CB-CB 4.26Å; H391-E405 IonicContact CD2-OE2 3.91Å; H391-E405 PolarHBondContact CD2-OE2 2.84Å; H391-E405 IonicContact CE1-OE2 3.94Å; H391-E405 IonicContact CG-OE2 3.99Å; H391-E405 IonicContact ND1-OE2 2.8Å; H391-E405 IonicContact NE2-OE2 2.7Å; E405-Q407 PolarHBondContact O-N 3.48Å; E405-D419 PolarHBondContact N-OD1 2.67Å
406V85.3Confident74.3Confident28 Ų2866 Ų6617%0.1737%0.368CS..  trans-63.1121.7173.61780000109.8F390 V403 K404 K408 A412 D413 L417 D419F390-V406 HydrophobicContact CB-CG2 4.13Å; V403-V406 HydrophobicContact CG1-CG2 3.39Å; K404-V406 VanDerWaalsContact C-N 3.31Å; K404-V406 PolarHBondContact O-N 3.42Å; V406-K408 PolarHBondContact O-N 3.39Å; V406-A412 HydrophobicContact CG1-CB 3.98Å; V406-D413 HydrophobicContact CG1-CB 3.83Å; V406-L417 HydrophobicContact CG2-CB 4.29Å; V406-D419 WeakPolarHBondContact CG2-OD1 3.16Å; V406-D419 PolarHBondContact N-OD1 2.65Å
407Q76.3Confident76.5Confident100 Ų10056.5 Ų56.547%0.46732%0.324SS..  trans-75114.1-179.6-65.2-179700110.4G389 E405 G409 G410 D413G389-Q407 PolarHBondContact O-N 3.19Å; E405-Q407 PolarHBondContact O-N 3.48Å; Q407-G409 PolarHBondContact O-N 2.84Å; Q407-G410 WeakPolarHBondContact O-CA 3.18Å; Q407-G410 PolarHBondContact O-N 3.41Å; Q407-D413 WeakPolarHBondContact O-CB 3.31Å
408K80Confident78.3Confident200 Ų20058 Ų5887%0.8731%0.309SS*.THydrogen-bonded Turntrans-57.2124.1177.9-167.2174.6-174.2174.20111.7V406 G410 D413V406-K408 PolarHBondContact O-N 3.39Å; K408-G410 VanDerWaalsContact C-N 3.26Å; K408-G410 PolarHBondContact O-N 2.93Å; K408-D413 WeakPolarHBondContact CA-OD2 3.26Å
409G77.9Confident79.7Confident43 Ų4357 Ų5744%0.44331%0.307SS..THydrogen-bonded Turntrans79.5-1.6-174.300000115.1Q407 D413 K414Q407-G409 PolarHBondContact O-N 2.84Å; G409-D413 PolarHBondContact N-OD2 2.95Å; G409-K414 WeakPolarHBondContact O-CE 3.48Å
410G83.1Confident80.9Confident13 Ų1357.6 Ų57.613%0.13430%0.303CS..SBendtrans-81.5179.1176.500000113.5Q407 K408 A412 D413 K414Q407-G410 WeakPolarHBondContact O-CA 3.18Å; Q407-G410 PolarHBondContact O-N 3.41Å; K408-G410 VanDerWaalsContact C-N 3.26Å; K408-G410 PolarHBondContact O-N 2.93Å; G410-A412 PolarHBondContact O-N 2.86Å; G410-D413 PolarHBondContact O-N 3.3Å; G410-K414 WeakPolarHBondContact O-CB 3.18Å; G410-K414 WeakPolarHBondContact O-CG 3.17Å; G410-K414 PolarHBondContact O-N 2.96Å
411P85.9Confident82Confident22 Ų2257.1 Ų57.114%0.14330%0.297CS..Hα-helixtrans-62.3-38.8-176-23.233.6000114.4I382 V384 A415I382-P411 WeakPolarHBondContact O-CB 3.16Å; V384-P411 HydrophobicContact CB-CG 3.81Å; V384-P411 HydrophobicContact CG2-CG 3.67Å; P411-A415 WeakPolarHBondContact O-CB 3.17Å; P411-A415 PolarHBondContact O-N 3.36Å
412A86.9Confident82.2Confident0 Ų058 Ų580%030%0.301CS..Hα-helixtrans-64.5-46.9175.800000113.1L381 Y388 F390 V406 G410 K414 A415 G416 L417L381-A412 HydrophobicContact CD2-CB 3.72Å; Y388-A412 VanDerWaalsContact O-CB 3.28Å; Y388-A412 WeakPolarHBondContact O-CB 2.79Å; Y388-A412 PolarHBondContact O-N 3.37Å; F390-A412 HydrophobicContact CB-CB 3.82Å; F390-A412 HydrophobicContact CD1-CB 3.91Å; F390-A412 HydrophobicContact CG-CB 4.26Å; V406-A412 HydrophobicContact CG1-CB 3.98Å; G410-A412 PolarHBondContact O-N 2.86Å; A412-K414 PolarHBondContact O-N 2.96Å; A412-A415 CarbonylContact O-C 3.58Å; A412-A415 PolarHBondContact O-N 2.74Å; A412-A415 VanDerWaalsContact O-N 3.14Å; A412-G416 PolarHBondContact O-N 2.72Å; A412-L417 HydrophobicContact CB-CB 4.1Å; A412-L417 HydrophobicContact CB-CD2 4.17Å; A412-L417 WeakPolarHBondContact O-CB 3.17Å; A412-L417 PolarHBondContact O-N 3.07Å
413D83.1Confident82.3Confident69 Ų6957.5 Ų57.537%0.36930%0.299SS..Hα-helixtrans-61.6-43.3177.3-172.242.4000111.1V406 Q407 K408 G409 G410 A415 G416V406-D413 HydrophobicContact CG1-CB 3.83Å; Q407-D413 WeakPolarHBondContact O-CB 3.31Å; K408-D413 WeakPolarHBondContact CA-OD2 3.26Å; G409-D413 PolarHBondContact N-OD2 2.95Å; G410-D413 PolarHBondContact O-N 3.3Å; D413-A415 VanDerWaalsContact C-N 3.26Å; D413-A415 PolarHBondContact O-N 3.32Å; D413-G416 PolarHBondContact O-N 2.82Å
414K83.8Confident82.4Confident166 Ų16657.5 Ų57.572%0.72230%0.299SS*.Hα-helixtrans-64.9-28175.6-73.1175.7177.9170.80113.7G409 G410 A412 G416G409-K414 WeakPolarHBondContact O-CE 3.48Å; G410-K414 WeakPolarHBondContact O-CB 3.18Å; G410-K414 WeakPolarHBondContact O-CG 3.17Å; G410-K414 PolarHBondContact O-N 2.96Å; A412-K414 PolarHBondContact O-N 2.96Å; K414-G416 VanDerWaalsContact C-N 3.29Å
415A84.9Confident82.8Confident24 Ų2454.7 Ų54.720%0.19829%0.287CS..THydrogen-bonded Turntrans-84.6-3175.900000113.1C379 R380 L381 P411 A412 D413C379-A415 HydrophobicContact CB-CB 4.24Å; C379-A415 WeakPolarHBondContact CB-O 3.29Å; C379-A415 PolarHBondContact SG-O 2.83Å; R380-A415 WeakPolarHBondContact O-CB 3.46Å; L381-A415 HydrophobicContact CD1-CB 4.38Å; L381-A415 HydrophobicContact CG-CB 3.85Å; P411-A415 WeakPolarHBondContact O-CB 3.17Å; P411-A415 PolarHBondContact O-N 3.36Å; A412-A415 CarbonylContact O-C 3.58Å; A412-A415 PolarHBondContact O-N 2.74Å; A412-A415 VanDerWaalsContact O-N 3.14Å; D413-A415 VanDerWaalsContact C-N 3.26Å; D413-A415 PolarHBondContact O-N 3.32Å
416G82.9Confident83.6Confident32 Ų3249.3 Ų49.333%0.3326%0.262SS..THydrogen-bonded Turntrans82.618.9178.300000115.1A412 D413 K414A412-G416 PolarHBondContact O-N 2.72Å; D413-G416 PolarHBondContact O-N 2.82Å; K414-G416 VanDerWaalsContact C-N 3.29Å
417L87.4Confident83.5Confident2 Ų251.8 Ų51.81%0.0127%0.274CS..  trans-69.9133.7168.5-99.971.3000109.5C379 L381 F390 V403 V406 A412 L452C379-L417 HydrophobicContact CB-CD1 3.18Å; C379-L417 VanDerWaalsContact SG-CD1 3.57Å; L381-L417 HydrophobicContact CD1-CD1 3.87Å; L381-L417 HydrophobicContact CD2-CD1 4.3Å; L381-L417 HydrophobicContact CD2-CD2 4.16Å; L381-L417 HydrophobicContact CG-CD1 4.43Å; F390-L417 HydrophobicContact CB-CD2 4.39Å; F390-L417 HydrophobicContact CD1-CD2 3.96Å; F390-L417 HydrophobicContact CD2-CD2 4.17Å; F390-L417 HydrophobicContact CE1-CD2 4.24Å; F390-L417 HydrophobicContact CE2-CD2 4.45Å; F390-L417 HydrophobicContact CG-CD2 3.91Å; F390-L417 HydrophobicContact CZ-CD2 4.48Å; V403-L417 HydrophobicContact CB-CD2 4.42Å; V403-L417 HydrophobicContact CG1-CB 4.37Å; V403-L417 HydrophobicContact CG1-CD2 3.82Å; V403-L417 HydrophobicContact CG1-CG 4.35Å; V403-L417 HydrophobicContact CG2-CD2 3.68Å; V403-L417 HydrophobicContact CG2-CG 4.21Å; V406-L417 HydrophobicContact CG2-CB 4.29Å; A412-L417 HydrophobicContact CB-CB 4.1Å; A412-L417 HydrophobicContact CB-CD2 4.17Å; A412-L417 WeakPolarHBondContact O-CB 3.17Å; A412-L417 PolarHBondContact O-N 3.07Å; L417-L452 HydrophobicContact CD2-CD1 4.12Å
418E83.4Confident83.4Confident114 Ų11449.7 Ų49.753%0.53328%0.28SS..  trans-115156.9171.8-73.5163.9-152.500110.7K377 V403 D421K377-E418 IonicContact NZ-OE1 2.84Å; K377-E418 PolarHBondContact NZ-OE1 2.75Å; K377-E418 IonicContact NZ-OE2 3.66Å; K377-E418 PolarHBondContact NZ-OE2 3.45Å; V403-E418 WeakPolarHBondContact CG1-O 3.25Å; E418-D421 PolarHBondContact N-OD2 3.45Å; E418-D421 WeakPolarHBondContact O-CB 3.43Å; E418-D421 PolarHBondContact O-N 2.91Å
419D79.1Confident83.4Confident85 Ų8545.3 Ų45.346%0.45526%0.262SS..THydrogen-bonded Turntrans-60.1141.2171.5-78.6-8.7000110.1K404 E405 V406 D421K404-D419 VanDerWaalsContact C-OD1 3.3Å; E405-D419 PolarHBondContact N-OD1 2.67Å; V406-D419 WeakPolarHBondContact CG2-OD1 3.16Å; V406-D419 PolarHBondContact N-OD1 2.65Å; D419-D421 VanDerWaalsContact C-N 3.25Å; D419-D421 PolarHBondContact O-N 3Å
420E77.9Confident83.5Confident92 Ų9246.6 Ų46.643%0.4326%0.259SS..THydrogen-bonded Turntrans71.59.3-177-48.7-71.1131.200115.2V403 I422V403-E420 PolarHBondContact O-N 3.37Å; E420-I422 PolarHBondContact O-N 2.99Å
421D85.6Confident83.6Confident4 Ų446 Ų462%0.02125%0.253CS..PPolyproline II helixtrans-65.9130167.9-84.9-20.3000110.6K377 F402 V403 E418 D419 V454 G456K377-D421 IonicContact NZ-OD2 3.79Å; F402-D421 CarbonylContact C-O 3.59Å; F402-D421 VanDerWaalsContact CA-O 3.25Å; F402-D421 WeakPolarHBondContact CA-O 3.37Å; V403-D421 HydrophobicContact CB-CB 4.23Å; V403-D421 HydrophobicContact CG2-CB 4.21Å; V403-D421 PolarHBondContact N-O 3.4Å; E418-D421 PolarHBondContact N-OD2 3.45Å; E418-D421 WeakPolarHBondContact O-CB 3.43Å; E418-D421 PolarHBondContact O-N 2.91Å; D419-D421 VanDerWaalsContact C-N 3.25Å; D419-D421 PolarHBondContact O-N 3Å; D421-V454 HydrophobicContact CB-CB 4.06Å; D421-V454 HydrophobicContact CB-CG2 4.13Å; D421-G456 WeakPolarHBondContact OD1-CA 3.27Å
422I85.3Confident83.1Confident22 Ų2246.3 Ų46.311%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-89.5128.6-179.8-58.3167.1000108.9E420 I424 V454 C455 Y460E420-I422 PolarHBondContact O-N 2.99Å; I422-I424 HydrophobicContact CG2-CD1 4.04Å; I422-I424 PolarHBondContact O-N 3.22Å; I422-V454 CarbonylContact O-C 3.56Å; I422-V454 VanDerWaalsContact O-CA 3.24Å; I422-V454 WeakPolarHBondContact O-CA 3.41Å; I422-C455 WeakPolarHBondContact CB-O 3.48Å; I422-C455 PolarHBondContact N-O 3.47Å; I422-C455 PolarHBondContact O-N 3.1Å; I422-Y460 HydrophobicContact CD1-CD1 3.76Å; I422-Y460 HydrophobicContact CD1-CD2 4.01Å; I422-Y460 HydrophobicContact CD1-CE1 4.35Å; I422-Y460 HydrophobicContact CD1-CG 3.56Å; I422-Y460 HydrophobicContact CG2-CD2 4.33Å; I422-Y460 HydrophobicContact CG2-CE2 4.26Å
423I86.4Confident82.5Confident0 Ų053.9 Ų53.90%029%0.293CS..EExtended strand (participates in β ladder)trans-79.9121.5177.2-52.7-166.2000109.9L392 S401 V403 V426 V431 I443 L452 V454L392-I423 HydrophobicContact CD1-CD1 3.24Å; L392-I423 HydrophobicContact CD1-CG1 4.06Å; S401-I423 PolarHBondContact O-N 2.89Å; V403-I423 HydrophobicContact CG2-CD1 4.34Å; V403-I423 HydrophobicContact CG2-CG1 4.16Å; I423-V426 HydrophobicContact CG2-CG2 3.84Å; I423-V431 HydrophobicContact CB-CG2 4.41Å; I423-V431 HydrophobicContact CG2-CG2 3.68Å; I423-I443 HydrophobicContact CD1-CD1 4Å; I423-L452 HydrophobicContact CD1-CD1 4.32Å; I423-L452 HydrophobicContact CG2-CD2 4.45Å; I423-V454 HydrophobicContact CG1-CG1 4.24Å
424I85.6Confident82Confident0 Ų053.3 Ų53.30%029%0.288CS..EExtended strand (participates in β ladder)trans-99.6-47.5180-51.3-56000110.2I422 N430 V431 Q432 L453 C455 Y460 I470I422-I424 HydrophobicContact CG2-CD1 4.04Å; I422-I424 PolarHBondContact O-N 3.22Å; I424-N430 WeakPolarHBondContact O-CA 3.17Å; I424-V431 WeakPolarHBondContact O-CG2 3.35Å; I424-V431 PolarHBondContact O-N 3.16Å; I424-Q432 HydrophobicContact CB-CG 4.48Å; I424-Q432 HydrophobicContact CD1-CG 4.15Å; I424-Q432 HydrophobicContact CG2-CG 4.12Å; I424-L453 HydrophobicContact CB-CB 4.45Å; I424-L453 HydrophobicContact CB-CD2 4.22Å; I424-L453 HydrophobicContact CB-CG 4.25Å; I424-L453 WeakPolarHBondContact CB-O 3.37Å; I424-L453 HydrophobicContact CG2-CD2 4.1Å; I424-L453 PolarHBondContact N-O 3.45Å; I424-C455 HydrophobicContact CD1-CB 4.15Å; I424-C455 HydrophobicContact CG1-CB 3.92Å; I424-Y460 HydrophobicContact CD1-CD2 3.79Å; I424-Y460 HydrophobicContact CD1-CE2 3.74Å; I424-I470 HydrophobicContact CB-CG2 4.46Å; I424-I470 HydrophobicContact CD1-CD1 3.93Å; I424-I470 HydrophobicContact CG1-CB 4.46Å; I424-I470 HydrophobicContact CG1-CD1 4.28Å; I424-I470 HydrophobicContact CG1-CG2 4.06Å; I424-I470 HydrophobicContact CG2-CB 3.92Å; I424-I470 HydrophobicContact CG2-CG2 4.02Å
425E87.1Confident81.2Confident20 Ų2048.7 Ų48.79%0.09328%0.275CS..EExtended strand (participates in β ladder)trans-134.8147.2179.5-56.2174.2174.900111.4E429 L452 L453E425-E429 CarbonylContact C-O 3.59Å; E425-E429 WeakPolarHBondContact CA-O 3.46Å; E425-E429 WeakPolarHBondContact CB-O 3.19Å; E425-L452 WeakPolarHBondContact O-CA 3.46Å; E425-L453 HydrophobicContact CB-CB 3.75Å; E425-L453 HydrophobicContact CB-CD2 4.4Å; E425-L453 HydrophobicContact CG-CB 4.15Å; E425-L453 HydrophobicContact CG-CD2 3.86Å; E425-L453 PolarHBondContact N-O 3.01Å; E425-L453 PolarHBondContact O-N 2.9Å
426V87.4Confident80.5Confident0 Ų051.3 Ų51.30%028%0.28CS..EExtended strand (participates in β ladder)trans-121.2118.6169.3-179.30000107.7I423 G428 E429 V431 V439 R442 I443 V450 L452I423-V426 HydrophobicContact CG2-CG2 3.84Å; V426-G428 PolarHBondContact O-N 3.49Å; V426-E429 PolarHBondContact N-O 2.76Å; V426-E429 PolarHBondContact O-N 3.39Å; V426-E429 VanDerWaalsContact O-N 3.1Å; V426-V431 HydrophobicContact CB-CG1 4.21Å; V426-V431 HydrophobicContact CG2-CG1 3.88Å; V426-V431 HydrophobicContact CG2-CG2 4Å; V426-V439 HydrophobicContact CG2-CG1 4.21Å; V426-R442 HydrophobicContact CB-CG 4.14Å; V426-R442 HydrophobicContact CG1-CB 4.29Å; V426-R442 HydrophobicContact CG1-CG 3.81Å; V426-I443 HydrophobicContact CG1-CG1 3.85Å; V426-I443 HydrophobicContact CG2-CD1 4.32Å; V426-I443 HydrophobicContact CG2-CG1 3.94Å; V426-V450 HydrophobicContact CG1-CG2 3.88Å; V426-L452 HydrophobicContact CB-CD2 4.22Å; V426-L452 HydrophobicContact CG1-CD2 4.05Å; V426-L452 HydrophobicContact CG2-CD2 3.77Å
427N84Confident79.8Confident79 Ų7954.8 Ų54.842%0.42229%0.288SS..THydrogen-bonded Turntrans51.634.4-174.5-60.3-26.5000114.2S446 T451N427-S446 PolarHBondContact ND2-OG 3.11Å; N427-T451 PolarHBondContact N-O 3.01Å; N427-T451 PolarHBondContact OD1-N 3.15Å
428G73.5Confident79.2Confident57 Ų5758.8 Ų58.859%0.58831%0.309SS*.THydrogen-bonded Turntrans83.94.8179.600000115.1V426V426-G428 PolarHBondContact O-N 3.49Å
429E79.4Confident79Confident107 Ų10753.3 Ų53.350%0.528%0.284SS..EExtended strand (participates in β ladder)trans-102.7128172.5-60.7-173.4144.700110.1E425 V426 R442E425-E429 CarbonylContact C-O 3.59Å; E425-E429 WeakPolarHBondContact CA-O 3.46Å; E425-E429 WeakPolarHBondContact CB-O 3.19Å; V426-E429 PolarHBondContact N-O 2.76Å; V426-E429 PolarHBondContact O-N 3.39Å; V426-E429 VanDerWaalsContact O-N 3.1Å; E429-R442 IonicContact OE2-CZ 2.76Å; E429-R442 IonicContact OE2-NE 2.97Å; E429-R442 PolarHBondContact OE2-NE 3.26Å; E429-R442 IonicContact OE2-NH1 2.63Å; E429-R442 IonicContact OE2-NH2 2.91Å; E429-R442 PolarHBondContact OE2-NH2 2.86Å
430N81.7Confident78.7Confident70 Ų7050.5 Ų50.537%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-67.4132.9-179.8-171.2-63.8000111.2I424 Q432I424-N430 WeakPolarHBondContact O-CA 3.17Å; N430-Q432 PolarHBondContact ND2-OE1 3.03Å; N430-Q432 WeakPolarHBondContact OD1-CB 3.42Å; N430-Q432 PolarHBondContact OD1-N 3.47Å
431V83.3Confident78.6Confident1 Ų150.1 Ų50.11%0.00627%0.273CS..  trans-122.58.8-176.1-68.70000113.7I423 I424 V426 D433 E434 V439I423-V431 HydrophobicContact CB-CG2 4.41Å; I423-V431 HydrophobicContact CG2-CG2 3.68Å; I424-V431 WeakPolarHBondContact O-CG2 3.35Å; I424-V431 PolarHBondContact O-N 3.16Å; V426-V431 HydrophobicContact CB-CG1 4.21Å; V426-V431 HydrophobicContact CG2-CG1 3.88Å; V426-V431 HydrophobicContact CG2-CG2 4Å; V431-D433 VanDerWaalsContact C-N 3.31Å; V431-D433 PolarHBondContact O-N 2.64Å; V431-E434 HydrophobicContact CB-CB 4.39Å; V431-E434 PolarHBondContact O-N 2.61Å; V431-E434 VanDerWaalsContact O-N 3.15Å; V431-V439 HydrophobicContact CB-CG1 4.32Å; V431-V439 HydrophobicContact CB-CG2 3.89Å; V431-V439 HydrophobicContact CG1-CG1 4.48Å; V431-V439 HydrophobicContact CG1-CG2 4.34Å; V431-V439 HydrophobicContact CG2-CG1 4.22Å
432Q77.3Confident78.5Confident29 Ų2952.6 Ų52.614%0.13628%0.282CS..THydrogen-bonded Turntrans-65.1-35-170.8-64.7179.9-100.300113.2G400 I424 N430G400-Q432 PolarHBondContact N-O 3.42Å; I424-Q432 HydrophobicContact CB-CG 4.48Å; I424-Q432 HydrophobicContact CD1-CG 4.15Å; I424-Q432 HydrophobicContact CG2-CG 4.12Å; N430-Q432 PolarHBondContact ND2-OE1 3.03Å; N430-Q432 WeakPolarHBondContact OD1-CB 3.42Å; N430-Q432 PolarHBondContact OD1-N 3.47Å
433D74.2Confident78.4Confident158 Ų15852.1 Ų52.185%0.84528%0.28SS*.THydrogen-bonded Turntrans-100.94.5178-61.2-43000112.4V431V431-D433 VanDerWaalsContact C-N 3.31Å; V431-D433 PolarHBondContact O-N 2.64Å
434E72.4Confident78Confident58 Ų5858.8 Ų58.827%0.27131%0.309SS..SBendtrans-83.1143.3177.4-70.8-169.3-17000111.1V431 N438 V439 R442V431-E434 HydrophobicContact CB-CB 4.39Å; V431-E434 PolarHBondContact O-N 2.61Å; V431-E434 VanDerWaalsContact O-N 3.15Å; E434-N438 HydrophobicContact CB-CB 4.47Å; E434-V439 HydrophobicContact CB-CG2 4.08Å; E434-R442 VanDerWaalsContact CD-NH1 3.35Å; E434-R442 IonicContact OE1-CZ 3.82Å; E434-R442 IonicContact OE1-NH1 3.7Å; E434-R442 PolarHBondContact OE1-NH1 3.22Å; E434-R442 IonicContact OE1-NH2 3.18Å; E434-R442 PolarHBondContact OE1-NH2 2.83Å; E434-R442 IonicContact OE2-CZ 3.67Å; E434-R442 IonicContact OE2-NH1 3.12Å; E434-R442 PolarHBondContact OE2-NH1 2.98Å
435P66.1Low77.8Confident68 Ų6863.2 Ų63.244%0.44234%0.34SS..  trans-65.6148.6175.429-34.5000110.7E437 N438 V439P435-E437 PolarHBondContact O-N 3.05Å; P435-E437 VanDerWaalsContact O-N 3.11Å; P435-N438 HydrophobicContact CG-CB 4.01Å; P435-N438 VanDerWaalsContact CG-ND2 3.35Å; P435-N438 WeakPolarHBondContact CG-ND2 3.45Å; P435-N438 WeakPolarHBondContact O-CB 3.31Å; P435-N438 PolarHBondContact O-N 2.89Å; P435-V439 PolarHBondContact O-N 3.2Å
436Y70.1Confident77.4Confident80 Ų8063.4 Ų63.431%0.31434%0.343SS..Hα-helixtrans-48.4-43.5-175.6171.8-99.3000113.3L392 A394 N438 V439 V440L392-Y436 HydrophobicContact CB-CE2 3.91Å; L392-Y436 HydrophobicContact CD2-CD2 3.94Å; L392-Y436 HydrophobicContact CD2-CE2 3.66Å; L392-Y436 HydrophobicContact CG-CD2 4.23Å; L392-Y436 HydrophobicContact CG-CE2 3.66Å; L392-Y436 WeakPolarHBondContact O-CE2 3.45Å; L392-Y436 PolarHBondContact O-OH 2.84Å; A394-Y436 HydrophobicContact CB-CD2 3.65Å; A394-Y436 HydrophobicContact CB-CE2 4.46Å; A394-Y436 HydrophobicContact CB-CG 4Å; Y436-N438 VanDerWaalsContact C-N 3.29Å; Y436-N438 PolarHBondContact O-N 2.8Å; Y436-V439 PolarHBondContact O-N 3.39Å; Y436-V440 HydrophobicContact CD1-CG2 4.09Å; Y436-V440 HydrophobicContact CD2-CG2 4.31Å; Y436-V440 HydrophobicContact CE1-CG2 3.62Å; Y436-V440 HydrophobicContact CE2-CG2 3.9Å; Y436-V440 HydrophobicContact CG-CG2 4.41Å; Y436-V440 WeakPolarHBondContact O-CG2 3.29Å; Y436-V440 PolarHBondContact O-N 2.95Å
437E69.6Low77Confident105 Ų10564.9 Ų64.949%0.49136%0.359SS..Hα-helixtrans-61.6-37.8-179.2-64.570.1-150.700111.8P435 V440 V441P435-E437 PolarHBondContact O-N 3.05Å; P435-E437 VanDerWaalsContact O-N 3.11Å; E437-V440 PolarHBondContact O-N 2.84Å; E437-V441 WeakPolarHBondContact O-CB 3.36Å; E437-V441 VanDerWaalsContact O-CG2 3.22Å; E437-V441 WeakPolarHBondContact O-CG2 3.37Å; E437-V441 PolarHBondContact O-N 3.44Å
438N74.7Confident76.9Confident85 Ų8567.1 Ų67.146%0.45537%0.366SS..Hα-helixtrans-68.8-40.2177.3-72.3-2.5000111E434 P435 Y436 V440 V441 R442E434-N438 HydrophobicContact CB-CB 4.47Å; P435-N438 HydrophobicContact CG-CB 4.01Å; P435-N438 VanDerWaalsContact CG-ND2 3.35Å; P435-N438 WeakPolarHBondContact CG-ND2 3.45Å; P435-N438 WeakPolarHBondContact O-CB 3.31Å; P435-N438 PolarHBondContact O-N 2.89Å; Y436-N438 VanDerWaalsContact C-N 3.29Å; Y436-N438 PolarHBondContact O-N 2.8Å; N438-V440 PolarHBondContact O-N 2.81Å; N438-V441 PolarHBondContact O-N 3.11Å; N438-R442 WeakPolarHBondContact O-CB 3.09Å; N438-R442 PolarHBondContact O-N 3.05Å
439V77.4Confident77.5Confident0 Ų068 Ų680%036%0.355CS..Hα-helixtrans-62.5-44.2175-170.30000110.6L392 V426 V431 E434 P435 Y436 R442 I443L392-V439 HydrophobicContact CD2-CB 4.15Å; L392-V439 HydrophobicContact CD2-CG1 3.87Å; V426-V439 HydrophobicContact CG2-CG1 4.21Å; V431-V439 HydrophobicContact CB-CG1 4.32Å; V431-V439 HydrophobicContact CB-CG2 3.89Å; V431-V439 HydrophobicContact CG1-CG1 4.48Å; V431-V439 HydrophobicContact CG1-CG2 4.34Å; V431-V439 HydrophobicContact CG2-CG1 4.22Å; E434-V439 HydrophobicContact CB-CG2 4.08Å; P435-V439 PolarHBondContact O-N 3.2Å; Y436-V439 PolarHBondContact O-N 3.39Å; V439-R442 PolarHBondContact O-N 2.65Å; V439-I443 HydrophobicContact CG1-CD1 4.05Å; V439-I443 VanDerWaalsContact O-CG1 3.3Å; V439-I443 WeakPolarHBondContact O-CG1 3.41Å; V439-I443 PolarHBondContact O-N 2.83Å
440V74.1Confident77.9Confident25 Ų2562.9 Ų62.915%0.15233%0.331CS..Hα-helixtrans-62.3-43.8175.1173.40000111.7L392 Y436 E437 N438 I443 K444L392-V440 HydrophobicContact CD2-CG2 3.64Å; Y436-V440 HydrophobicContact CD1-CG2 4.09Å; Y436-V440 HydrophobicContact CD2-CG2 4.31Å; Y436-V440 HydrophobicContact CE1-CG2 3.62Å; Y436-V440 HydrophobicContact CE2-CG2 3.9Å; Y436-V440 HydrophobicContact CG-CG2 4.41Å; Y436-V440 WeakPolarHBondContact O-CG2 3.29Å; Y436-V440 PolarHBondContact O-N 2.95Å; E437-V440 PolarHBondContact O-N 2.84Å; N438-V440 PolarHBondContact O-N 2.81Å; V440-I443 PolarHBondContact O-N 3.31Å; V440-K444 HydrophobicContact CG1-CD 3.84Å; V440-K444 HydrophobicContact CG1-CG 4.39Å; V440-K444 WeakPolarHBondContact O-CB 3.39Å; V440-K444 VanDerWaalsContact O-CG 3.3Å; V440-K444 WeakPolarHBondContact O-CG 3.14Å; V440-K444 PolarHBondContact O-N 2.81Å
441V75.9Confident78.1Confident85 Ų8561.3 Ų61.352%0.51532%0.324SS..Hα-helixtrans-63.1-44.2177.4167.20000110.4E437 N438 K444 S445E437-V441 WeakPolarHBondContact O-CB 3.36Å; E437-V441 VanDerWaalsContact O-CG2 3.22Å; E437-V441 WeakPolarHBondContact O-CG2 3.37Å; E437-V441 PolarHBondContact O-N 3.44Å; N438-V441 PolarHBondContact O-N 3.11Å; V441-K444 PolarHBondContact O-N 3.17Å; V441-S445 VanDerWaalsContact O-CB 3.22Å; V441-S445 WeakPolarHBondContact O-CB 3.26Å; V441-S445 PolarHBondContact O-N 2.79Å; V441-S445 PolarHBondContact O-OG 2.64Å
442R83.6Confident78.3Confident55 Ų5561.3 Ų61.321%0.20832%0.324CS..Hα-helixtrans-61.8-46.6179-164.1-179.4-104.5153.54.3110.8V426 E429 E434 N438 V439 K444 S445 S446V426-R442 HydrophobicContact CB-CG 4.14Å; V426-R442 HydrophobicContact CG1-CB 4.29Å; V426-R442 HydrophobicContact CG1-CG 3.81Å; E429-R442 IonicContact OE2-CZ 2.76Å; E429-R442 IonicContact OE2-NE 2.97Å; E429-R442 PolarHBondContact OE2-NE 3.26Å; E429-R442 IonicContact OE2-NH1 2.63Å; E429-R442 IonicContact OE2-NH2 2.91Å; E429-R442 PolarHBondContact OE2-NH2 2.86Å; E434-R442 VanDerWaalsContact CD-NH1 3.35Å; E434-R442 IonicContact OE1-CZ 3.82Å; E434-R442 IonicContact OE1-NH1 3.7Å; E434-R442 PolarHBondContact OE1-NH1 3.22Å; E434-R442 IonicContact OE1-NH2 3.18Å; E434-R442 PolarHBondContact OE1-NH2 2.83Å; E434-R442 IonicContact OE2-CZ 3.67Å; E434-R442 IonicContact OE2-NH1 3.12Å; E434-R442 PolarHBondContact OE2-NH1 2.98Å; N438-R442 WeakPolarHBondContact O-CB 3.09Å; N438-R442 PolarHBondContact O-N 3.05Å; V439-R442 PolarHBondContact O-N 2.65Å; R442-K444 PolarHBondContact O-N 3.28Å; R442-S445 PolarHBondContact O-N 3.38Å; R442-S446 PolarHBondContact O-N 3.29Å; R442-S446 PolarHBondContact O-OG 3.14Å
443I83.8Confident78.7Confident12 Ų1260 Ų606%0.06232%0.318CS..Hα-helixtrans-62.3-43.1176.5-66.1168.7000111.7Y388 F390 L392 I423 V426 V439 V440 S445 S446 L452Y388-I443 HydrophobicContact CD2-CG2 4.21Å; Y388-I443 HydrophobicContact CE2-CG2 4.14Å; F390-I443 HydrophobicContact CZ-CD1 4.4Å; F390-I443 HydrophobicContact CZ-CG2 4.4Å; L392-I443 HydrophobicContact CD1-CD1 4.49Å; L392-I443 HydrophobicContact CD2-CD1 4.2Å; I423-I443 HydrophobicContact CD1-CD1 4Å; V426-I443 HydrophobicContact CG1-CG1 3.85Å; V426-I443 HydrophobicContact CG2-CD1 4.32Å; V426-I443 HydrophobicContact CG2-CG1 3.94Å; V439-I443 HydrophobicContact CG1-CD1 4.05Å; V439-I443 VanDerWaalsContact O-CG1 3.3Å; V439-I443 WeakPolarHBondContact O-CG1 3.41Å; V439-I443 PolarHBondContact O-N 2.83Å; V440-I443 PolarHBondContact O-N 3.31Å; I443-S445 VanDerWaalsContact C-N 3.34Å; I443-S446 WeakPolarHBondContact O-CB 3.49Å; I443-S446 PolarHBondContact O-N 3.39Å; I443-S446 PolarHBondContact O-OG 3.2Å; I443-L452 HydrophobicContact CD1-CD2 4.34Å; I443-L452 HydrophobicContact CG1-CD2 4.19Å
444K77.9Confident79.3Confident140 Ų14052.4 Ų52.461%0.60928%0.278SS*.Hα-helixtrans-69.6-30.9178.3-74.7178179.8174.50113.2V440 V441 R442 S446V440-K444 HydrophobicContact CG1-CD 3.84Å; V440-K444 HydrophobicContact CG1-CG 4.39Å; V440-K444 WeakPolarHBondContact O-CB 3.39Å; V440-K444 VanDerWaalsContact O-CG 3.3Å; V440-K444 WeakPolarHBondContact O-CG 3.14Å; V440-K444 PolarHBondContact O-N 2.81Å; V441-K444 PolarHBondContact O-N 3.17Å; R442-K444 PolarHBondContact O-N 3.28Å; K444-S446 VanDerWaalsContact C-N 3.29Å
445S80.4Confident79.9Confident93 Ų9349.7 Ų49.765%0.6527%0.265SS*.Hα-helixtrans-77.8-16179.6-56.60000112.7V441 R442 I443 G447V441-S445 VanDerWaalsContact O-CB 3.22Å; V441-S445 WeakPolarHBondContact O-CB 3.26Å; V441-S445 PolarHBondContact O-N 2.79Å; V441-S445 PolarHBondContact O-OG 2.64Å; R442-S445 PolarHBondContact O-N 3.38Å; I443-S445 VanDerWaalsContact C-N 3.34Å; S445-G447 PolarHBondContact O-N 2.86Å
446S79.5Confident80.7Confident25 Ų2547.5 Ų47.518%0.17526%0.255CS..THydrogen-bonded Turntrans-63.5-14.1174.2-52.30000113.8N427 R442 I443 K444 E448 E449 V450N427-S446 PolarHBondContact ND2-OG 3.11Å; R442-S446 PolarHBondContact O-N 3.29Å; R442-S446 PolarHBondContact O-OG 3.14Å; I443-S446 WeakPolarHBondContact O-CB 3.49Å; I443-S446 PolarHBondContact O-N 3.39Å; I443-S446 PolarHBondContact O-OG 3.2Å; K444-S446 VanDerWaalsContact C-N 3.29Å; S446-E448 PolarHBondContact O-N 2.78Å; S446-E449 VanDerWaalsContact CB-O 3.25Å; S446-E449 WeakPolarHBondContact CB-O 3.49Å; S446-V450 WeakPolarHBondContact OG-CG2 3.5Å
447G78.8Confident81.1Confident31 Ų3149.5 Ų49.532%0.3227%0.265SS..THydrogen-bonded Turntrans81.5-115.6172.800000112.9Y388 S445Y388-G447 PolarHBondContact OH-O 3.29Å; S445-G447 PolarHBondContact O-N 2.86Å
448E80.9Confident81.5Confident125 Ų12552.3 Ų52.358%0.58428%0.276SS*.THydrogen-bonded Turntrans-91.7-18.6-178.3-65.6-57.3139.500112.9I382 K383 S446I382-E448 WeakPolarHBondContact CA-O 3.17Å; K383-E448 WeakPolarHBondContact CB-O 3.28Å; K383-E448 PolarHBondContact N-O 2.92Å; S446-E448 PolarHBondContact O-N 2.78Å
449E85.6Confident81.7Confident76 Ų7648.6 Ų48.636%0.35526%0.257SS..EExtended strand (participates in β ladder)trans-136.4133.8-174.5-172.6-170.6144.800110.5R380 L381 S446R380-E449 HydrophobicContact CG-CG 4.36Å; R380-E449 IonicContact CZ-OE1 3.43Å; R380-E449 IonicContact CZ-OE2 2.71Å; R380-E449 VanDerWaalsContact NE-CD 3.34Å; R380-E449 IonicContact NE-OE1 3.9Å; R380-E449 PolarHBondContact NE-OE1 3Å; R380-E449 IonicContact NE-OE2 3.91Å; R380-E449 IonicContact NH2-OE1 3.99Å; R380-E449 PolarHBondContact NH2-OE1 3.19Å; R380-E449 IonicContact NH2-OE2 3.89Å; R380-E449 PolarHBondContact NH2-OE2 2.79Å; L381-E449 WeakPolarHBondContact O-CA 3.5Å; S446-E449 VanDerWaalsContact CB-O 3.25Å; S446-E449 WeakPolarHBondContact CB-O 3.49Å
450V88Confident81.9Confident0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-133.9137.2173.765.20000110.5L381 Y388 V426 S446 L452L381-V450 HydrophobicContact CB-CG1 3.91Å; L381-V450 HydrophobicContact CD1-CG1 4.19Å; L381-V450 PolarHBondContact N-O 3.04Å; L381-V450 PolarHBondContact O-N 2.89Å; Y388-V450 HydrophobicContact CD1-CG1 3.97Å; Y388-V450 HydrophobicContact CD2-CG1 4.29Å; Y388-V450 HydrophobicContact CE1-CB 4.39Å; Y388-V450 HydrophobicContact CE1-CG1 3.67Å; Y388-V450 HydrophobicContact CE2-CG1 4.01Å; Y388-V450 HydrophobicContact CG-CG1 4.26Å; V426-V450 HydrophobicContact CG1-CG2 3.88Å; S446-V450 WeakPolarHBondContact OG-CG2 3.5Å; V450-L452 HydrophobicContact CG1-CG 4.46Å; V450-L452 HydrophobicContact CG2-CD2 3.72Å; V450-L452 HydrophobicContact CG2-CG 4.2Å
451T85.6Confident82.2Confident37 Ų3752.6 Ų52.623%0.22728%0.276CS..EExtended strand (participates in β ladder)trans-105123.4171.3-59.70000109L378 C379 N427L378-T451 HydrophobicContact CD1-CG2 3.58Å; L378-T451 HydrophobicContact CG-CG2 4.04Å; C379-T451 CarbonylContact O-C 3.59Å; C379-T451 WeakPolarHBondContact O-CA 3.35Å; N427-T451 PolarHBondContact N-O 3.01Å; N427-T451 PolarHBondContact OD1-N 3.15Å
452L88.1Confident82.4Confident0 Ų052.2 Ų52.20%027%0.266CS..EExtended strand (participates in β ladder)trans-116.1127.1-179.8-58.5179.2000109.4C379 L381 F390 L417 I423 E425 V426 I443 V450 V454C379-L452 PolarHBondContact N-O 3.49Å; C379-L452 PolarHBondContact O-N 2.94Å; L381-L452 HydrophobicContact CD1-CB 4.41Å; L381-L452 HydrophobicContact CD1-CD1 3.75Å; L381-L452 HydrophobicContact CD1-CG 3.95Å; F390-L452 HydrophobicContact CE1-CD1 4.22Å; F390-L452 HydrophobicContact CZ-CD1 3.83Å; L417-L452 HydrophobicContact CD2-CD1 4.12Å; I423-L452 HydrophobicContact CD1-CD1 4.32Å; I423-L452 HydrophobicContact CG2-CD2 4.45Å; E425-L452 WeakPolarHBondContact O-CA 3.46Å; V426-L452 HydrophobicContact CB-CD2 4.22Å; V426-L452 HydrophobicContact CG1-CD2 4.05Å; V426-L452 HydrophobicContact CG2-CD2 3.77Å; I443-L452 HydrophobicContact CD1-CD2 4.34Å; I443-L452 HydrophobicContact CG1-CD2 4.19Å; V450-L452 HydrophobicContact CG1-CG 4.46Å; V450-L452 HydrophobicContact CG2-CD2 3.72Å; V450-L452 HydrophobicContact CG2-CG 4.2Å; L452-V454 HydrophobicContact CB-CG1 3.91Å
453L85.2Confident82.3Confident1 Ų150.4 Ų50.41%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-89.7115.7162.7-175.166.3000107.3P376 L378 I424 E425 I470 A475P376-L453 HydrophobicContact CB-CD1 4.03Å; L378-L453 HydrophobicContact CB-CD1 4.49Å; L378-L453 HydrophobicContact CD1-CB 4.27Å; L378-L453 HydrophobicContact CD1-CD1 4.18Å; I424-L453 HydrophobicContact CB-CB 4.45Å; I424-L453 HydrophobicContact CB-CD2 4.22Å; I424-L453 HydrophobicContact CB-CG 4.25Å; I424-L453 WeakPolarHBondContact CB-O 3.37Å; I424-L453 HydrophobicContact CG2-CD2 4.1Å; I424-L453 PolarHBondContact N-O 3.45Å; E425-L453 HydrophobicContact CB-CB 3.75Å; E425-L453 HydrophobicContact CB-CD2 4.4Å; E425-L453 HydrophobicContact CG-CB 4.15Å; E425-L453 HydrophobicContact CG-CD2 3.86Å; E425-L453 PolarHBondContact N-O 3.01Å; E425-L453 PolarHBondContact O-N 2.9Å; L453-I470 HydrophobicContact CD2-CG2 4.17Å; L453-A475 HydrophobicContact CD1-CB 4.07Å
454V88.6Confident82Confident0 Ų054.3 Ų54.30%028%0.278CS..EExtended strand (participates in β ladder)trans-122.1153.3-178.6-55.10000111.4P376 K377 D421 I422 I423 L452P376-V454 CarbonylContact C-O 3.58Å; P376-V454 WeakPolarHBondContact CA-O 3.34Å; K377-V454 HydrophobicContact CB-CG2 3.85Å; K377-V454 PolarHBondContact N-O 3.4Å; K377-V454 PolarHBondContact O-N 2.8Å; D421-V454 HydrophobicContact CB-CB 4.06Å; D421-V454 HydrophobicContact CB-CG2 4.13Å; I422-V454 CarbonylContact O-C 3.56Å; I422-V454 VanDerWaalsContact O-CA 3.24Å; I422-V454 WeakPolarHBondContact O-CA 3.41Å; I423-V454 HydrophobicContact CG1-CG1 4.24Å; L452-V454 HydrophobicContact CB-CG1 3.91Å
455C84.6Confident82Confident0 Ų051.7 Ų51.70%028%0.282CS..EExtended strand (participates in β ladder)trans-139.5125-178.7-164.30000109.6I422 I424 A459 Y460 I470I422-C455 WeakPolarHBondContact CB-O 3.48Å; I422-C455 PolarHBondContact N-O 3.47Å; I422-C455 PolarHBondContact O-N 3.1Å; I424-C455 HydrophobicContact CD1-CB 4.15Å; I424-C455 HydrophobicContact CG1-CB 3.92Å; C455-A459 WeakPolarHBondContact SG-CB 3.43Å; C455-Y460 PolarHBondContact SG-N 3.28Å; C455-Y460 VanDerWaalsContact SG-N 3.42Å; C455-I470 HydrophobicContact CB-CD1 4.22Å
456G82.6Confident81.6Confident23 Ų2353 Ų5324%0.23728%0.276CS..  trans-64.2152.7174.800000111.2D421 K458 A459 Y460D421-G456 WeakPolarHBondContact OD1-CA 3.27Å; G456-K458 VanDerWaalsContact C-N 3.33Å; G456-K458 PolarHBondContact O-N 3.11Å; G456-A459 WeakPolarHBondContact O-CB 3.15Å; G456-A459 PolarHBondContact O-N 3.49Å; G456-Y460 PolarHBondContact O-N 3.22Å
457K78.3Confident81.3Confident121 Ų12161 Ų6153%0.52631%0.308SS..Hα-helixtrans-51.1-44.1-173.7-173.3174.1-177.91730114.8A459 Y460 D461K457-A459 PolarHBondContact O-N 2.87Å; K457-Y460 PolarHBondContact O-N 3.48Å; K457-D461 VanDerWaalsContact O-CG 3.27Å; K457-D461 PolarHBondContact O-N 3.26Å
458K77.9Confident81Confident165 Ų16562.9 Ų62.972%0.71731%0.31SS*.Hα-helixtrans-63.8-41.6178.8-66-178.8-178.71760112.4G456 Y462G456-K458 VanDerWaalsContact C-N 3.33Å; G456-K458 PolarHBondContact O-N 3.11Å; K458-Y462 WeakPolarHBondContact O-CB 3.4Å; K458-Y462 PolarHBondContact O-N 3.45Å; K458-Y462 VanDerWaalsContact O-N 3.15Å
459A79.1Confident80.6Confident6 Ų661.4 Ų61.45%0.0531%0.313CS..Hα-helixtrans-67.6-42176.300000111.2H374 C455 G456 K457 Y462 F463H374-A459 HydrophobicContact CB-CB 4.19Å; C455-A459 WeakPolarHBondContact SG-CB 3.43Å; G456-A459 WeakPolarHBondContact O-CB 3.15Å; G456-A459 PolarHBondContact O-N 3.49Å; K457-A459 PolarHBondContact O-N 2.87Å; A459-Y462 WeakPolarHBondContact O-CB 3.49Å; A459-Y462 PolarHBondContact O-N 3.05Å; A459-F463 HydrophobicContact CB-CE2 4.32Å; A459-F463 WeakPolarHBondContact O-CD2 3.38Å; A459-F463 PolarHBondContact O-N 3.45Å
460Y82Confident80.2Confident17 Ų1758 Ų587%0.06730%0.297CS..Hα-helixtrans-59-50.7175.6-173-97.2000112.2P399 I422 I424 C455 G456 K457 Y462 F463 Q464 I470P399-Y460 HydrophobicContact CG-CE1 4.47Å; I422-Y460 HydrophobicContact CD1-CD1 3.76Å; I422-Y460 HydrophobicContact CD1-CD2 4.01Å; I422-Y460 HydrophobicContact CD1-CE1 4.35Å; I422-Y460 HydrophobicContact CD1-CG 3.56Å; I422-Y460 HydrophobicContact CG2-CD2 4.33Å; I422-Y460 HydrophobicContact CG2-CE2 4.26Å; I424-Y460 HydrophobicContact CD1-CD2 3.79Å; I424-Y460 HydrophobicContact CD1-CE2 3.74Å; C455-Y460 PolarHBondContact SG-N 3.28Å; C455-Y460 VanDerWaalsContact SG-N 3.42Å; G456-Y460 PolarHBondContact O-N 3.22Å; K457-Y460 PolarHBondContact O-N 3.48Å; Y460-Y462 VanDerWaalsContact C-N 3.26Å; Y460-Y462 PolarHBondContact O-N 3.23Å; Y460-F463 PolarHBondContact O-N 3.36Å; Y460-Q464 HydrophobicContact CD1-CG 3.96Å; Y460-Q464 HydrophobicContact CE1-CG 3.65Å; Y460-Q464 HydrophobicContact CE2-CG 4.45Å; Y460-Q464 HydrophobicContact CG-CG 4.49Å; Y460-Q464 WeakPolarHBondContact O-CB 3.39Å; Y460-Q464 VanDerWaalsContact O-CG 3.29Å; Y460-Q464 WeakPolarHBondContact O-CG 3.45Å; Y460-Q464 PolarHBondContact O-N 3.06Å; Y460-Q464 PolarHBondContact OH-NE2 2.98Å; Y460-I470 HydrophobicContact CD2-CD1 3.72Å; Y460-I470 HydrophobicContact CE2-CD1 4.21Å
461D80.2Confident79.5Confident92 Ų9260.7 Ų60.749%0.49231%0.314SS..Hα-helixtrans-59.8-38.2178.7-68.5-20.5000111.5K457 A465K457-D461 VanDerWaalsContact O-CG 3.27Å; K457-D461 PolarHBondContact O-N 3.26Å; D461-A465 VanDerWaalsContact O-CB 3.29Å; D461-A465 WeakPolarHBondContact O-CB 3.23Å; D461-A465 PolarHBondContact O-N 3.43Å
462Y80.6Confident78.9Confident78 Ų7861.7 Ų61.731%0.30632%0.322SS..Hα-helixtrans-63.4-48.5175172.5-92.8000112.9H374 K458 A459 Y460 A465 K466H374-Y462 HydrophobicContact CB-CD1 3.97Å; H374-Y462 HydrophobicContact CB-CE1 4.37Å; H374-Y462 HydrophobicContact CB-CG 4.31Å; H374-Y462 AromaticContact CD2-CG 3.87Å; K458-Y462 WeakPolarHBondContact O-CB 3.4Å; K458-Y462 PolarHBondContact O-N 3.45Å; K458-Y462 VanDerWaalsContact O-N 3.15Å; A459-Y462 WeakPolarHBondContact O-CB 3.49Å; A459-Y462 PolarHBondContact O-N 3.05Å; Y460-Y462 VanDerWaalsContact C-N 3.26Å; Y460-Y462 PolarHBondContact O-N 3.23Å; Y462-A465 PolarHBondContact O-N 3.46Å; Y462-K466 HydrophobicContact CE1-CD 4.14Å; Y462-K466 HydrophobicContact CE2-CD 3.81Å; Y462-K466 PolarHBondContact O-N 3.17Å; Y462-K466 WeakPolarHBondContact OH-CE 3.38Å; Y462-K466 PolarHBondContact OH-NZ 3.28Å
463F79.9Confident78Confident16 Ų1666.6 Ų66.67%0.0736%0.356CS..Hα-helixtrans-66.5-37.2179.6-72.7-62.2000112.1H374 A459 Y460 K466 K467 I468 I470 L474H374-F463 WeakPolarHBondContact O-CE2 3.26Å; H374-F463 WeakPolarHBondContact O-CZ 3.33Å; A459-F463 HydrophobicContact CB-CE2 4.32Å; A459-F463 WeakPolarHBondContact O-CD2 3.38Å; A459-F463 PolarHBondContact O-N 3.45Å; Y460-F463 PolarHBondContact O-N 3.36Å; F463-K466 PolarHBondContact O-N 3.05Å; F463-K467 PolarHBondContact O-N 3.43Å; F463-I468 HydrophobicContact CD1-CB 3.9Å; F463-I468 HydrophobicContact CD1-CG2 3.76Å; F463-I468 HydrophobicContact CE1-CG2 4.16Å; F463-I468 PolarHBondContact O-N 3.16Å; F463-I470 HydrophobicContact CB-CD1 3.95Å; F463-I470 HydrophobicContact CB-CG1 3.67Å; F463-I470 HydrophobicContact CD1-CG1 4.46Å; F463-I470 HydrophobicContact CD2-CD1 3.88Å; F463-I470 HydrophobicContact CD2-CG1 3.61Å; F463-I470 HydrophobicContact CE2-CG1 4.36Å; F463-I470 HydrophobicContact CG-CD1 4.21Å; F463-I470 HydrophobicContact CG-CG1 3.68Å; F463-L474 HydrophobicContact CE1-CD1 4.22Å
464Q78.3Confident77.4Confident94 Ų9469.9 Ų69.944%0.43937%0.374SS..Hα-helixtrans-64.7-45.5174.2-69-61.7-24.500111.7Y460 K466 K467Y460-Q464 HydrophobicContact CD1-CG 3.96Å; Y460-Q464 HydrophobicContact CE1-CG 3.65Å; Y460-Q464 HydrophobicContact CE2-CG 4.45Å; Y460-Q464 HydrophobicContact CG-CG 4.49Å; Y460-Q464 WeakPolarHBondContact O-CB 3.39Å; Y460-Q464 VanDerWaalsContact O-CG 3.29Å; Y460-Q464 WeakPolarHBondContact O-CG 3.45Å; Y460-Q464 PolarHBondContact O-N 3.06Å; Y460-Q464 PolarHBondContact OH-NE2 2.98Å; Q464-K466 VanDerWaalsContact C-N 3.3Å; Q464-K466 PolarHBondContact O-N 3.49Å; Q464-K467 PolarHBondContact O-N 2.96Å; Q464-K467 VanDerWaalsContact O-N 3.12Å
465A77.2Confident76.5Confident85 Ų8570.7 Ų70.770%0.70238%0.38SS*.Hα-helixtrans-62.1-36.8178.300000112.6D461 Y462D461-A465 VanDerWaalsContact O-CB 3.29Å; D461-A465 WeakPolarHBondContact O-CB 3.23Å; D461-A465 PolarHBondContact O-N 3.43Å; Y462-A465 PolarHBondContact O-N 3.46Å
466K71.8Confident75.3Confident121 Ų12175 Ų7553%0.52640%0.404SS..THydrogen-bonded Turntrans-87.8-1.1176.9-67.4-163.3176.1-176.40114.3Y462 F463 Q464 I468Y462-K466 HydrophobicContact CE1-CD 4.14Å; Y462-K466 HydrophobicContact CE2-CD 3.81Å; Y462-K466 PolarHBondContact O-N 3.17Å; Y462-K466 WeakPolarHBondContact OH-CE 3.38Å; Y462-K466 PolarHBondContact OH-NZ 3.28Å; F463-K466 PolarHBondContact O-N 3.05Å; Q464-K466 VanDerWaalsContact C-N 3.3Å; Q464-K466 PolarHBondContact O-N 3.49Å; K466-I468 HydrophobicContact CB-CD1 3.7Å; K466-I468 HydrophobicContact CB-CG1 3.91Å; K466-I468 HydrophobicContact CD-CD1 4.23Å; K466-I468 PolarHBondContact O-N 3.21Å
467K73.2Confident73.7Confident192 Ų19279.6 Ų79.684%0.83543%0.429SS*.THydrogen-bonded Turntrans5338.3-175.3-58.4-177.1178.2-178.90113.2F463 Q464F463-K467 PolarHBondContact O-N 3.43Å; Q464-K467 PolarHBondContact O-N 2.96Å; Q464-K467 VanDerWaalsContact O-N 3.12Å
468I72.5Confident72.3Confident72 Ų7278 Ų7837%0.36943%0.426SS..  trans-96.6126.4177.5-64168.9000107.8F463 K466 I470 L474F463-I468 HydrophobicContact CD1-CB 3.9Å; F463-I468 HydrophobicContact CD1-CG2 3.76Å; F463-I468 HydrophobicContact CE1-CG2 4.16Å; F463-I468 PolarHBondContact O-N 3.16Å; K466-I468 HydrophobicContact CB-CD1 3.7Å; K466-I468 HydrophobicContact CB-CG1 3.91Å; K466-I468 HydrophobicContact CD-CD1 4.23Å; K466-I468 PolarHBondContact O-N 3.21Å; I468-I470 PolarHBondContact O-N 2.8Å; I468-L474 HydrophobicContact CG2-CD1 4.35Å
469S72.6Confident70.6Confident94 Ų9476.6 Ų76.666%0.65743%0.431SS*.  trans-68.7126.6174.5-58.30000110.6V471S469-V471 PolarHBondContact O-N 2.86Å
470I77.9Confident68.3Low4 Ų482 Ų822%0.02146%0.463CS..  trans-78.3114.2175.6-56.1166.1000107.5P376 I424 L453 C455 Y460 F463 I468P376-I470 HydrophobicContact CB-CG2 3.78Å; P376-I470 HydrophobicContact CG-CG2 4.03Å; I424-I470 HydrophobicContact CB-CG2 4.46Å; I424-I470 HydrophobicContact CD1-CD1 3.93Å; I424-I470 HydrophobicContact CG1-CB 4.46Å; I424-I470 HydrophobicContact CG1-CD1 4.28Å; I424-I470 HydrophobicContact CG1-CG2 4.06Å; I424-I470 HydrophobicContact CG2-CB 3.92Å; I424-I470 HydrophobicContact CG2-CG2 4.02Å; L453-I470 HydrophobicContact CD2-CG2 4.17Å; C455-I470 HydrophobicContact CB-CD1 4.22Å; Y460-I470 HydrophobicContact CD2-CD1 3.72Å; Y460-I470 HydrophobicContact CE2-CD1 4.21Å; F463-I470 HydrophobicContact CB-CD1 3.95Å; F463-I470 HydrophobicContact CB-CG1 3.67Å; F463-I470 HydrophobicContact CD1-CG1 4.46Å; F463-I470 HydrophobicContact CD2-CD1 3.88Å; F463-I470 HydrophobicContact CD2-CG1 3.61Å; F463-I470 HydrophobicContact CE2-CG1 4.36Å; F463-I470 HydrophobicContact CG-CD1 4.21Å; F463-I470 HydrophobicContact CG-CG1 3.68Å; I468-I470 PolarHBondContact O-N 2.8Å
471V74.1Confident65.8Low56 Ų5686.3 Ų86.334%0.33950%0.495SS..  trans-133153.6-179-68.70000110.1S469 S473 L474S469-V471 PolarHBondContact O-N 2.86Å; V471-S473 WeakPolarHBondContact CG2-OG 3.39Å; V471-S473 PolarHBondContact O-N 3.37Å; V471-L474 HydrophobicContact CG2-CD1 4.16Å; V471-L474 HydrophobicContact CG2-CG 4.06Å; V471-L474 WeakPolarHBondContact O-CB 3.31Å; V471-L474 PolarHBondContact O-N 3.38Å
472S71.3Confident63.3Low58 Ų5888.4 Ų88.441%0.40651%0.511SS..G310 helixtrans-55.5-24.4-174.655.50000115.2L474 A475S472-L474 PolarHBondContact O-N 3.05Å; S472-A475 WeakPolarHBondContact O-CB 3.33Å; S472-A475 PolarHBondContact O-N 2.87Å
473S70.6Confident61Low103 Ų10392 Ų9272%0.7254%0.536SS*.G310 helixtrans-69.2-10.9175.161.70000114.7V471V471-S473 WeakPolarHBondContact CG2-OG 3.39Å; V471-S473 PolarHBondContact O-N 3.37Å
474L71.1Confident58.7Low70 Ų7095.1 Ų95.137%0.36657%0.573SS.*G310 helixtrans-92.1-8.1176.1-60.3176.1000112.7P376 F463 I468 V471 S472P376-L474 WeakPolarHBondContact CD-O 3.38Å; P376-L474 HydrophobicContact CG-CB 3.77Å; F463-L474 HydrophobicContact CE1-CD1 4.22Å; I468-L474 HydrophobicContact CG2-CD1 4.35Å; V471-L474 HydrophobicContact CG2-CD1 4.16Å; V471-L474 HydrophobicContact CG2-CG 4.06Å; V471-L474 WeakPolarHBondContact O-CB 3.31Å; V471-L474 PolarHBondContact O-N 3.38Å; S472-L474 PolarHBondContact O-N 3.05Å
475A71.6Confident56.4Low17 Ų1799.7 Ų99.714%0.1459%0.594CS.*SBendtrans-87.3153.2-177.900000112.6P376 L378 L453 S472P376-A475 HydrophobicContact CG-CB 4.25Å; P376-A475 WeakPolarHBondContact O-CA 3.5Å; P376-A475 WeakPolarHBondContact O-CB 3.43Å; L378-A475 HydrophobicContact CB-CB 3.83Å; L453-A475 HydrophobicContact CD1-CB 4.07Å; S472-A475 WeakPolarHBondContact O-CB 3.33Å; S472-A475 PolarHBondContact O-N 2.87Å
476D57.7Low54Low92 Ų9299 Ų9949%0.49260%0.595SS.*PPolyproline II helixtrans-65.6144.3173.2-72.8-35.8000110.9K375K375-D476 WeakPolarHBondContact CD-OD1 3.3Å; K375-D476 IonicContact NZ-OD1 3.21Å; K375-D476 PolarHBondContact NZ-OD1 3.16Å; K375-D476 IonicContact NZ-OD2 2.78Å
477P49.3Very low51.9Low119 Ų119102.4 Ų102.477%0.77361%0.613SS**PPolyproline II helixtrans-64.7143.3-177.122.8-30.7000112.6V479P477-V479 PolarHBondContact O-N 3.34Å
478L49.9Very low49.6Very low87 Ų8799.5 Ų99.546%0.45561%0.611SS.*  trans-44.7121.4-175.5-67.3166000113L378 R380 T480L378-L478 HydrophobicContact CD2-CD2 4.31Å; L378-L478 HydrophobicContact CG-CD2 4.41Å; R380-L478 HydrophobicContact CB-CD2 4.19Å; L478-T480 PolarHBondContact O-N 3.35Å
479V41.8Very low47.5Very low136 Ų136101.2 Ų101.282%0.82463%0.63SS**  trans-68.6104.8163.5-178.80000107.3P477 C481P477-V479 PolarHBondContact O-N 3.34Å; V479-C481 PolarHBondContact O-N 2.94Å
480T31.3Very low45.3Very low118 Ų118103 Ų10372%0.72464%0.637SS**  trans-80.5102.1170.536.10000108.2L478 T482L478-T480 PolarHBondContact O-N 3.35Å; T480-T482 PolarHBondContact O-N 2.76Å
481C28.8Very low43Very low109 Ų109112.2 Ų112.274%0.73668%0.68SS**  trans-71.6110158.9-73.60000107.1V479 D483V479-C481 PolarHBondContact O-N 2.94Å; C481-D483 PolarHBondContact O-N 3.33Å
482T28.5Very low40.8Very low136 Ų136115.1 Ų115.183%0.83470%0.703SS**  trans-57.2115.8170.7200000110T480 G484T480-T482 PolarHBondContact O-N 2.76Å; T482-G484 PolarHBondContact O-N 2.89Å
483D32Very low38.7Very low153 Ų153115.6 Ų115.682%0.81872%0.717SS**  trans-63.1119.9166.3-81.8-40.9000109.5C481 Q485C481-D483 PolarHBondContact O-N 3.33Å; D483-Q485 PolarHBondContact O-N 3.4Å; D483-Q485 VanDerWaalsContact O-N 3.08Å
484G30.5Very low36.7Very low82 Ų82119.7 Ų119.785%0.84572%0.724SS**  trans-68.498162.200000108.9T482T482-G484 PolarHBondContact O-N 2.89Å
485Q31.1Very low34.6Very low189 Ų189123.5 Ų123.588%0.88375%0.745SS**  trans-69.9134.2164.3-100.9178.9-19.600109.7D483D483-Q485 PolarHBondContact O-N 3.4Å; D483-Q485 VanDerWaalsContact O-N 3.08Å
486G26.9Very low32.5Very low71 Ų71127.8 Ų127.873%0.73277%0.774SS**  trans-66160.9-169.700000115.6
487E27.2Very low31.2Very low192 Ų192131.6 Ų131.690%0.89779%0.788SS**  trans-118.3121.6146.6-74.2-168.1155.100108.9
488T25.4Very low30.9Very low131 Ų131131.5 Ų131.580%0.80479%0.788SS**  trans-33.9141.6161.525.20000114.9
489S27Very low29.8Very low108 Ų108131.3 Ų131.376%0.75580%0.799SS**  -175112.3130-76.80000113.2
490T27.6Very low29.3Very low132 Ų132133.8 Ų133.881%0.8180%0.798SS**  trans61.5119.6136.757.70000122.6
491E29.2Very low29.1Very low197 Ų197134.1 Ų134.192%0.92179%0.792SS**  trans-56.6134.1146.8-80.5179.6129.300112.5
492S28.6Very low29.3Very low118 Ų118138.6 Ų138.683%0.82579%0.793SS**  trans-178.7130.5138.354.10000105.4
493G26.4Very low29.4Very low67 Ų67137.7 Ų137.769%0.69179%0.787SS**  cis113.2124.146.300000107.2
494H28.9Very low29.4Very low189 Ų189138.5 Ų138.588%0.87579%0.786SS**  trans83.6104.7168.3-74.3-69000120.3
495D26.4Very low29.4Very low150 Ų150139 Ų13980%0.80278%0.777SS**  trans-73.9137147.6-154.2-0.2000109.6
496S28.8Very low29.3Very low107 Ų107136.3 Ų136.375%0.74877%0.774SS**  trans-135.5106.5170.852.60000109.7
497H29.4Very low29.4Very low172 Ų172137.1 Ų137.180%0.79677%0.773SS**  trans-45.5173.7160-83.6-57.2000113.8
498P42.1Very low29.6Very low118 Ų118132.9 Ų132.977%0.76677%0.765SS**  cis-143.5174.518.530.6-6.5000116.5
499A27Very low29.9Very low83 Ų83133.7 Ų133.769%0.68676%0.764SS**  171.3124121.400000113.9
500K31.5Very low30.2Very low188 Ų188133.5 Ų133.582%0.81776%0.763SS**  trans58.2142.6141.4-63.9-178.6175.7-179.10118.9
501E28.6Very low30.5Very low125 Ų125132.4 Ų132.458%0.58476%0.761SS**  cis-170.1152.9-0.2-119.2-175.7-157.100105.7
502R31.6Very low30.8Very low202 Ų202127.9 Ų127.976%0.76275%0.75SS**  trans60.4144147.9-67.9-179.8165.1142.1-12.7119.1
503T32Very low31.2Very low117 Ų117128.6 Ų128.672%0.71875%0.745SS**  cis-169.5147.41.3150000108.4
504H30.3Very low31.9Very low170 Ų170129.7 Ų129.779%0.78774%0.742SS**  trans5130.6144.8-65.7-69.8000123.2
505S30.7Very low32.6Very low94 Ų94129.1 Ų129.166%0.65774%0.74SS**  85.3128.1122.8-58.80000122.7
506T29.2Very low33.6Very low132 Ų132129.3 Ų129.381%0.8174%0.741SS**  trans73119.4131.649.90000122.7
507A29.6Very low34.5Very low87 Ų87129.7 Ų129.772%0.71974%0.739SS**  80.9137.2118.900000122.1
508S31.8Very low35.3Very low104 Ų104130 Ų13073%0.72774%0.74SS**  trans113.7112.9136-47.30000117.6
509N31.1Very low35.6Very low148 Ų148137 Ų13779%0.79177%0.766SS**  35.6136121.9-60.1-7.9000120.5
510S33.1Very low36Very low104 Ų104139.7 Ų139.773%0.72777%0.77SS**  162.2118.3107-62.60000108.7
511S34Very low36.3Very low109 Ų109137.1 Ų137.176%0.76277%0.768SS**  62.9121.287.6-41.60000112
512S36.3Very low36.7Very low101 Ų101137.8 Ų137.871%0.70678%0.778SS**  157.9162.577.2-97.50000106.1
513N37.1Very low37Very low133 Ų133134 Ų13471%0.71178%0.779SS**  cis-171.7140.33.1-11117.7000105.8
514S40.3Very low37.3Very low90 Ų90135.1 Ų135.163%0.62978%0.783SS**  54.1141.4107.972.90000115.9
515E44.5Very low37.8Very low177 Ų177132.7 Ų132.783%0.82778%0.782SS**  cis-155.114349.8-71.4163124.500109.6
516D46.4Very low38.3Very low154 Ų154135.5 Ų135.582%0.82479%0.791SS**  43.3130.287.6-92.2-21.6000114.8
517T47Very low39Very low115 Ų115135.8 Ų135.871%0.70679%0.79SS**  -172.715261.8-37.10000111.6
518E48.1Very low39.7Very low178 Ų178139.8 Ų139.883%0.83280%0.796SS**  trans11.8131.1155.8-64.9176.4131.600122.9
519M47.2Very low40.5Very low265 Ų265143.1 Ų143.1100%1.30580%0.802SS**  -158.90101-107.7-161.9-8400111.7

Retrieved 519 of 519 residues in 135.3 ms (Link to these results)

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