A0A077YYE1_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077YYE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,063 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
1M28.1Very low46.2Very low251 Ų251113.9 Ų113.9100%1.23669%0.69SS**  0110.80-64172.2-178.500108.5
2T34.2Very low48.8Very low144 Ų144104.8 Ų104.888%0.88364%0.635SS**  trans-97.4124.5177.241.90000109.7S4T2-S4 PolarHBondContact O-N 2.76Å
3A31.3Very low50.7Low95 Ų95104.7 Ų104.779%0.78563%0.628SS**  trans-68.5123.5-178.400000111.3C5A3-C5 VanDerWaalsContact C-N 3.26Å; A3-C5 PolarHBondContact O-N 3.45Å
4S29.1Very low52.9Low122 Ų122102.6 Ų102.685%0.85363%0.628SS**  trans-76.674172.555.40000110.6T2 A6T2-S4 PolarHBondContact O-N 2.76Å; S4-A6 PolarHBondContact O-N 3.21Å
5C35.8Very low55.1Low89 Ų8998.1 Ų98.160%0.60160%0.599SS**PPolyproline II helixtrans-62.4125.1159.2-670000107.8A3 L7A3-C5 VanDerWaalsContact C-N 3.26Å; A3-C5 PolarHBondContact O-N 3.45Å; C5-L7 PolarHBondContact O-N 3.19Å
6A33.3Very low57.2Low102 Ų102103.8 Ų103.884%0.84361%0.606SS**PPolyproline II helixtrans-54.7131.417300000109.7S4S4-A6 PolarHBondContact O-N 3.21Å
7L49.5Very low59.1Low108 Ų108101.9 Ų101.957%0.56559%0.592SS**PPolyproline II helixtrans-86.9148.9172.2-64.5171.3000108.4C5 D9 L65 N68C5-L7 PolarHBondContact O-N 3.19Å; L7-D9 PolarHBondContact O-N 3.22Å; L7-L65 HydrophobicContact CD1-CD1 3.77Å; L7-L65 HydrophobicContact CD2-CD1 4.24Å; L7-N68 HydrophobicContact CD2-CB 4.29Å
8D59.4Low60.8Low92 Ų9296.3 Ų96.349%0.49256%0.56SS.*PPolyproline II helixtrans-65.5128.3164-63.2-22.8000107.5I10 N68 K71D8-I10 PolarHBondContact O-N 3.01Å; D8-N68 PolarHBondContact O-ND2 2.89Å; D8-K71 IonicContact OD2-NZ 2.81Å; D8-K71 PolarHBondContact OD2-NZ 3.15Å
9D60.5Low62.2Low149 Ų14995 Ų9580%0.79756%0.562SS**  trans-72.4113.6172.3-168.23.6000108.9L7L7-D9 PolarHBondContact O-N 3.22Å
10I70.9Confident63.4Low21 Ų2192.9 Ų92.911%0.10856%0.561CS.*  trans-101.3101.6-176.3-60.2178.3000108.1D8 L12 K64 I67 N68D8-I10 PolarHBondContact O-N 3.01Å; I10-L12 HydrophobicContact CG2-CD2 4.22Å; I10-L12 PolarHBondContact O-N 3.48Å; I10-L12 VanDerWaalsContact O-N 3.14Å; I10-K64 HydrophobicContact CB-CG 4.27Å; I10-K64 WeakPolarHBondContact O-CD 3.36Å; I10-K64 WeakPolarHBondContact O-CE 3.41Å; I10-I67 HydrophobicContact CD1-CB 3.96Å; I10-I67 HydrophobicContact CD1-CG2 3.56Å; I10-N68 HydrophobicContact CD1-CB 4.43Å
11D75.9Confident64.7Low80 Ų8090.4 Ų90.443%0.42854%0.544SS..  trans-66.6111.6162.6176.228.4000109.6N13 A14D11-N13 PolarHBondContact O-N 3.32Å; D11-N13 VanDerWaalsContact OD1-CB 3.25Å; D11-N13 WeakPolarHBondContact OD1-CB 3.23Å; D11-N13 PolarHBondContact OD1-N 3.36Å; D11-N13 PolarHBondContact OD1-ND2 2.65Å; D11-A14 HydrophobicContact CB-CB 4.19Å; D11-A14 PolarHBondContact O-N 2.63Å; D11-A14 WeakPolarHBondContact OD2-CB 3.48Å; D11-A14 PolarHBondContact OD2-N 3.47Å; D11-A14 VanDerWaalsContact OD2-N 3.09Å
12L77.1Confident67.8Low5 Ų579.4 Ų79.43%0.02649%0.489CS..G310 helixtrans-61.4-31.7173.6-67.7-169.4000111.4I10 A14 L15 E60 I63 K64 I67 I87I10-L12 HydrophobicContact CG2-CD2 4.22Å; I10-L12 PolarHBondContact O-N 3.48Å; I10-L12 VanDerWaalsContact O-N 3.14Å; L12-A14 PolarHBondContact O-N 3.11Å; L12-L15 HydrophobicContact CD2-CD1 3.78Å; L12-L15 VanDerWaalsContact O-CB 3.28Å; L12-L15 WeakPolarHBondContact O-CB 3.49Å; L12-L15 WeakPolarHBondContact O-CG 3.34Å; L12-L15 PolarHBondContact O-N 3.31Å; L12-E60 HydrophobicContact CD1-CB 4.45Å; L12-E60 HydrophobicContact CD1-CG 3.74Å; L12-E60 HydrophobicContact CG-CG 4.4Å; L12-I63 HydrophobicContact CD1-CG2 4.15Å; L12-I63 HydrophobicContact CD2-CG2 4.19Å; L12-K64 HydrophobicContact CD2-CG 4.28Å; L12-K64 HydrophobicContact CG-CG 4.35Å; L12-I67 HydrophobicContact CD2-CD1 3.96Å; L12-I87 HydrophobicContact CB-CD1 3.83Å; L12-I87 WeakPolarHBondContact O-CD1 3.44Å
13N74.7Confident70.6Confident103 Ų10376.6 Ų76.655%0.55147%0.469SS*.G310 helixtrans-69.7-22-177.4-57.7-85000113.4D11 L15D11-N13 PolarHBondContact O-N 3.32Å; D11-N13 VanDerWaalsContact OD1-CB 3.25Å; D11-N13 WeakPolarHBondContact OD1-CB 3.23Å; D11-N13 PolarHBondContact OD1-N 3.36Å; D11-N13 PolarHBondContact OD1-ND2 2.65Å; N13-L15 VanDerWaalsContact C-N 3.34Å
14A81.4Confident73.6Confident75 Ų7575.1 Ų75.162%0.6245%0.448SS*.G310 helixtrans-81.6-7.6172.900000113.8D11 L12D11-A14 HydrophobicContact CB-CB 4.19Å; D11-A14 PolarHBondContact O-N 2.63Å; D11-A14 WeakPolarHBondContact OD2-CB 3.48Å; D11-A14 PolarHBondContact OD2-N 3.47Å; D11-A14 VanDerWaalsContact OD2-N 3.09Å; L12-A14 PolarHBondContact O-N 3.11Å
15L84.7Confident76.5Confident36 Ų3673.1 Ų73.119%0.18843%0.426CS..SBendtrans-67136.4173.1-61.5179000110.3L12 N13 I67 A85 I87 L100L12-L15 HydrophobicContact CD2-CD1 3.78Å; L12-L15 VanDerWaalsContact O-CB 3.28Å; L12-L15 WeakPolarHBondContact O-CB 3.49Å; L12-L15 WeakPolarHBondContact O-CG 3.34Å; L12-L15 PolarHBondContact O-N 3.31Å; N13-L15 VanDerWaalsContact C-N 3.34Å; L15-I67 HydrophobicContact CD1-CD1 4.45Å; L15-A85 HydrophobicContact CD1-CB 3.95Å; L15-A85 HydrophobicContact CD2-CB 4.29Å; L15-I87 HydrophobicContact CB-CB 4.41Å; L15-I87 HydrophobicContact CB-CD1 4.46Å; L15-I87 HydrophobicContact CB-CG1 4.1Å; L15-I87 HydrophobicContact CD1-CD1 4.04Å; L15-I87 HydrophobicContact CD1-CG1 3.96Å; L15-L100 HydrophobicContact CD1-CD1 3.97Å
16R89.1Confident79.2Confident189 Ų18973.1 Ų73.171%0.71342%0.418SS*.PPolyproline II helixtrans-73.1153-175.1-59178.2-172.5172.22.9110.8I21 F86 I87R16-I21 HydrophobicContact CB-CD1 4.39Å; R16-F86 HydrophobicContact CB-CD1 4.1Å; R16-F86 HydrophobicContact CB-CE1 4.44Å; R16-F86 CarbonylContact O-C 3.59Å; R16-F86 VanDerWaalsContact O-CA 3.24Å; R16-F86 WeakPolarHBondContact O-CA 3.38Å; R16-F86 VanDerWaalsContact O-CB 3.27Å; R16-F86 WeakPolarHBondContact O-CB 3.5Å; R16-I87 PolarHBondContact O-N 2.98Å
17D89Confident81.8Confident71 Ų7171.5 Ų71.538%0.3840%0.397SS..PPolyproline II helixtrans-66.7137.6166.1-164.6-69.1000109.5A19 I21 I87D17-A19 VanDerWaalsContact C-N 3.27Å; D17-A19 PolarHBondContact O-N 2.8Å; D17-A19 WeakPolarHBondContact OD1-CB 3.48Å; D17-A19 PolarHBondContact OD1-N 3.24Å; D17-I21 WeakPolarHBondContact O-CD1 3.47Å; D17-I87 WeakPolarHBondContact CA-O 3.46Å
18P90.7Very high83.5Confident1 Ų169.6 Ų69.61%0.00639%0.39CS..  trans-72.1-14.3178.928.3-34.8000114.4G20 I21 F22 F86 R88 W101P18-G20 PolarHBondContact O-N 3.49Å; P18-I21 WeakPolarHBondContact O-CA 3.33Å; P18-I21 WeakPolarHBondContact O-CB 3.37Å; P18-I21 PolarHBondContact O-N 2.85Å; P18-F22 PolarHBondContact O-N 3.29Å; P18-F86 HydrophobicContact CB-CB 3.86Å; P18-F86 HydrophobicContact CB-CG 4.22Å; P18-F86 HydrophobicContact CG-CB 4.24Å; P18-R88 HydrophobicContact CG-CB 4Å; P18-W101 HydrophobicContact CB-CD2 3.94Å; P18-W101 HydrophobicContact CB-CE3 3.4Å; P18-W101 HydrophobicContact CB-CH2 4.27Å; P18-W101 HydrophobicContact CB-CZ3 3.59Å; P18-W101 HydrophobicContact CG-CD2 3.63Å; P18-W101 HydrophobicContact CG-CE3 3.59Å; P18-W101 HydrophobicContact CG-CG 4.22Å; P18-W101 HydrophobicContact CG-CH2 4.02Å; P18-W101 HydrophobicContact CG-CZ2 4.05Å; P18-W101 HydrophobicContact CG-CZ3 3.79Å
19A86.8Confident84.1Confident72 Ų7266.5 Ų66.560%0.59538%0.38SS*.THydrogen-bonded Turntrans-59.4130.7-177.200000112.5D17 I21D17-A19 VanDerWaalsContact C-N 3.27Å; D17-A19 PolarHBondContact O-N 2.8Å; D17-A19 WeakPolarHBondContact OD1-CB 3.48Å; D17-A19 PolarHBondContact OD1-N 3.24Å; A19-I21 PolarHBondContact O-N 3.16Å
20G86.6Confident84.5Confident53 Ų5364.9 Ų64.955%0.54637%0.371SS..THydrogen-bonded Turntrans72.40.7-175.100000114.8P18P18-G20 PolarHBondContact O-N 3.49Å
21I91.7Very high84.1Confident41 Ų4165 Ų6521%0.2138%0.377CS..THydrogen-bonded Turntrans-106.9-46.6172.5-47.9-178.3000109.6R16 D17 P18 A19 H41 V42 F86R16-I21 HydrophobicContact CB-CD1 4.39Å; D17-I21 WeakPolarHBondContact O-CD1 3.47Å; P18-I21 WeakPolarHBondContact O-CA 3.33Å; P18-I21 WeakPolarHBondContact O-CB 3.37Å; P18-I21 PolarHBondContact O-N 2.85Å; A19-I21 PolarHBondContact O-N 3.16Å; I21-H41 WeakPolarHBondContact O-CA 3.08Å; I21-H41 PolarHBondContact O-CD2 3.1Å; I21-V42 PolarHBondContact O-N 3.29Å; I21-F86 HydrophobicContact CB-CE1 4.5Å; I21-F86 HydrophobicContact CD1-CD1 4.12Å; I21-F86 HydrophobicContact CD1-CE1 3.68Å; I21-F86 HydrophobicContact CG2-CE1 4.06Å; I21-F86 HydrophobicContact CG2-CZ 4.19Å
22F92.7Very high83Confident19 Ų1963.5 Ų63.58%0.08337%0.371CS..EExtended strand (participates in β ladder)trans-132.8127.7177.6-73-85.8000113.3P18 R40 H41 A48 I50 F86 V103P18-F22 PolarHBondContact O-N 3.29Å; F22-R40 WeakPolarHBondContact CA-O 3.48Å; F22-H41 HydrophobicContact CD1-CB 4.06Å; F22-H41 HydrophobicContact CE1-CB 3.53Å; F22-H41 AromaticContact CE2-CD2 3.97Å; F22-H41 HydrophobicContact CZ-CB 3.99Å; F22-H41 AromaticContact CZ-CD2 3.74Å; F22-A48 HydrophobicContact CD1-CB 4.34Å; F22-A48 HydrophobicContact CE1-CB 3.86Å; F22-I50 HydrophobicContact CB-CD1 3.79Å; F22-I50 HydrophobicContact CD1-CD1 3.97Å; F22-I50 HydrophobicContact CG-CD1 4.02Å; F22-F86 HydrophobicContact CD2-CE2 4.09Å; F22-F86 HydrophobicContact CD2-CZ 4.2Å; F22-F86 AromaticContact CE2-CE2 3.75Å; F22-F86 HydrophobicContact CE2-CE2 3.75Å; F22-F86 AromaticContact CE2-CZ 3.78Å; F22-F86 HydrophobicContact CE2-CZ 3.78Å; F22-V103 HydrophobicContact CD1-CG1 4.31Å; F22-V103 HydrophobicContact CD2-CG2 4.39Å; F22-V103 HydrophobicContact CE1-CG1 3.75Å; F22-V103 HydrophobicContact CE2-CG1 4.08Å; F22-V103 HydrophobicContact CE2-CG2 4.38Å; F22-V103 HydrophobicContact CZ-CG1 3.65Å
23D92.7Very high82.1Confident86 Ų8665.8 Ų65.846%0.4638%0.38SS..EExtended strand (participates in β ladder)trans-90.1142.8167.5-62.3-37.1000110.3G39 R40D23-G39 CarbonylContact O-C 3.54Å; D23-G39 WeakPolarHBondContact O-CA 3.41Å; D23-R40 PolarHBondContact N-O 3.46Å; D23-R40 PolarHBondContact O-N 3.19Å
24L93.2Very high81.8Confident64 Ų6461.9 Ų61.934%0.33536%0.364SS..EExtended strand (participates in β ladder)trans-90.3136.1170.6-59.2178.3000110Y37 I50 I52 W101L24-Y37 HydrophobicContact CB-CD1 4.32Å; L24-Y37 HydrophobicContact CD1-CD1 4.27Å; L24-Y37 HydrophobicContact CD1-CE1 4.4Å; L24-Y37 HydrophobicContact CD1-CG 4.42Å; L24-Y37 HydrophobicContact CD2-CD1 4.46Å; L24-Y37 HydrophobicContact CD2-CG 4.1Å; L24-I50 HydrophobicContact CD2-CB 4.33Å; L24-I50 HydrophobicContact CD2-CD1 4.02Å; L24-I50 HydrophobicContact CD2-CG2 4.3Å; L24-I52 HydrophobicContact CD1-CD1 3.83Å; L24-I52 HydrophobicContact CD2-CD1 4.19Å; L24-W101 HydrophobicContact CD1-CH2 3.63Å; L24-W101 HydrophobicContact CD1-CZ2 3.9Å; L24-W101 HydrophobicContact CD1-CZ3 4.4Å; L24-W101 HydrophobicContact CD2-CE3 4.38Å; L24-W101 HydrophobicContact CD2-CH2 3.81Å; L24-W101 HydrophobicContact CD2-CZ3 3.72Å; L24-W101 HydrophobicContact CG-CH2 3.62Å; L24-W101 HydrophobicContact CG-CZ2 4.37Å; L24-W101 HydrophobicContact CG-CZ3 3.99Å
25I91.9Very high81.9Confident79 Ų7962.2 Ų62.241%0.40535%0.353SS..EExtended strand (participates in β ladder)trans-105.3-63.4179.5-59.8174.1000110.6K38 R40 L47I25-K38 WeakPolarHBondContact CB-O 3.5Å; I25-K38 HydrophobicContact CD1-CG 4.38Å; I25-K38 PolarHBondContact N-O 2.81Å; I25-R40 HydrophobicContact CD1-CB 4.15Å; I25-L47 HydrophobicContact CD1-CD2 3.9Å
26E90.9Very high82.1Confident89 Ų8962 Ų6242%0.41635%0.353SS..EExtended strand (participates in β ladder)trans-151.6153.5-170.361-169.7160.200111.1V28 Y37 K38E26-V28 HydrophobicContact CG-CG1 4.04Å; E26-Y37 CarbonylContact O-C 3.58Å; E26-Y37 VanDerWaalsContact O-CA 3.28Å; E26-Y37 WeakPolarHBondContact O-CA 3.44Å; E26-K38 HydrophobicContact CG-CB 3.93Å; E26-K38 HydrophobicContact CG-CD 3.79Å; E26-K38 PolarHBondContact N-O 2.99Å; E26-K38 PolarHBondContact O-N 2.97Å; E26-K38 WeakPolarHBondContact OE1-CD 3.5Å; E26-K38 WeakPolarHBondContact OE1-CE 3.46Å; E26-K38 IonicContact OE1-NZ 3.25Å; E26-K38 PolarHBondContact OE1-NZ 3.26Å
27V88.6Confident82.3Confident68 Ų6855.5 Ų55.541%0.41233%0.329SS..EExtended strand (participates in β ladder)trans-77.8121.7171.6179.10000108.4Y37V27-Y37 HydrophobicContact CG2-CD1 3.84Å; V27-Y37 HydrophobicContact CG2-CE1 3.37Å; V27-Y37 HydrophobicContact CG2-CE2 4.39Å
28V84.1Confident82.5Confident69 Ų6953.9 Ų53.942%0.41832%0.318SS..EExtended strand (participates in β ladder)trans-107-11.7178.2-63.70000113.5E26 V36 K38 Y106E26-V28 HydrophobicContact CG-CG1 4.04Å; V28-V36 HydrophobicContact CG2-CB 4.43Å; V28-V36 HydrophobicContact CG2-CG1 3.96Å; V28-V36 WeakPolarHBondContact CG2-O 3.4Å; V28-V36 PolarHBondContact N-O 2.96Å; V28-K38 HydrophobicContact CG1-CB 3.7Å; V28-Y106 HydrophobicContact CG1-CE2 4.33Å
29G73.6Confident82.7Confident27 Ų2753.9 Ų53.928%0.27832%0.318SS..EExtended strand (participates in β ladder)trans-168158.8173.600000113.5V36G29-V36 PolarHBondContact N-O 3.17Å; G29-V36 VanDerWaalsContact N-O 3.09Å; G29-V36 PolarHBondContact O-N 3.39Å
30N69.2Low83.1Confident114 Ų11455.4 Ų55.461%0.6131%0.308SS*.EExtended strand (participates in β ladder)trans-111.6108.3166.7-63.9-52.1000107.3Q35N30-Q35 PolarHBondContact OD1-NE2 3.01Å
31G60.8Low83.4Confident23 Ų2355 Ų5524%0.23729%0.292CS..  trans-83.1178.1175.100000112Y33 G34G31-Y33 VanDerWaalsContact C-N 3.35Å; G31-Y33 PolarHBondContact O-N 2.98Å; G31-G34 CarbonylContact C-O 3.41Å; G31-G34 WeakPolarHBondContact CA-O 3.19Å; G31-G34 PolarHBondContact N-O 2.88Å
32T52.7Low83.4Confident50 Ų5056.1 Ų56.131%0.30730%0.301SS..SBendtrans-67.1-34.5-179.950.90000112.9W193T32-W193 HydrophobicContact CG2-CE3 4.47Å; T32-W193 HydrophobicContact CG2-CH2 3.78Å; T32-W193 HydrophobicContact CG2-CZ3 3.67Å; T32-W193 VanDerWaalsContact O-CZ2 3.23Å; T32-W193 WeakPolarHBondContact O-CZ2 3.38Å
33Y58.4Low83.4Confident52 Ų5263.8 Ų63.820%0.20433%0.334CS..SBendtrans-100.4-7.8-177-68.3-82.7000115.1G31 M53 S174 L177 D178G31-Y33 VanDerWaalsContact C-N 3.35Å; G31-Y33 PolarHBondContact O-N 2.98Å; Y33-M53 WeakPolarHBondContact CB-SD 3.42Å; Y33-M53 HydrophobicContact CG-SD 4.31Å; Y33-S174 PolarHBondContact OH-O 2.91Å; Y33-L177 HydrophobicContact CE1-CB 4.04Å; Y33-L177 VanDerWaalsContact OH-C 3.22Å; Y33-L177 WeakPolarHBondContact OH-CB 3.44Å; Y33-D178 VanDerWaalsContact OH-CA 3.26Å; Y33-D178 WeakPolarHBondContact OH-CA 3.49Å; Y33-D178 PolarHBondContact OH-N 2.8Å; Y33-D178 PolarHBondContact OH-OD1 3.21Å; Y33-D178 VanDerWaalsContact OH-OD1 3.05Å
34G69.9Low83.4Confident21 Ų2163.9 Ų63.922%0.21634%0.338CS..SBendtrans167.8-172.3-170.600000114.3G31 I52G31-G34 CarbonylContact C-O 3.41Å; G31-G34 WeakPolarHBondContact CA-O 3.19Å; G31-G34 PolarHBondContact N-O 2.88Å; G34-I52 VanDerWaalsContact CA-O 3.28Å; G34-I52 WeakPolarHBondContact CA-O 3.38Å
35Q82.6Confident83.3Confident83 Ų8362.4 Ų62.439%0.38834%0.338SS..EExtended strand (participates in β ladder)trans-98.2138.3-179.4-59.7-165.1-84.200110.7N30 Y37 I52N30-Q35 PolarHBondContact OD1-NE2 3.01Å; Q35-Y37 HydrophobicContact CB-CD2 4.26Å; Q35-Y37 HydrophobicContact CB-CE2 3.72Å; Q35-I52 PolarHBondContact N-O 3.42Å; Q35-I52 PolarHBondContact O-N 3.44Å
36V89.4Confident83.3Confident30 Ų3063.2 Ų63.218%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-101.2115.4174.7-173.30000108.4V28 G29 A49 I50 K51V28-V36 HydrophobicContact CG2-CB 4.43Å; V28-V36 HydrophobicContact CG2-CG1 3.96Å; V28-V36 WeakPolarHBondContact CG2-O 3.4Å; V28-V36 PolarHBondContact N-O 2.96Å; G29-V36 PolarHBondContact N-O 3.17Å; G29-V36 VanDerWaalsContact N-O 3.09Å; G29-V36 PolarHBondContact O-N 3.39Å; V36-A49 HydrophobicContact CG1-CB 4.31Å; V36-I50 WeakPolarHBondContact CA-O 3.3Å; V36-K51 HydrophobicContact CG2-CB 4.29Å; V36-K51 HydrophobicContact CG2-CG 4.34Å
37Y92.6Very high83.5Confident54 Ų5461.6 Ų61.621%0.21233%0.334CS..EExtended strand (participates in β ladder)trans-98.4151174.7-70.7-100.5000110.5L24 E26 V27 Q35 A49 I50 I52L24-Y37 HydrophobicContact CB-CD1 4.32Å; L24-Y37 HydrophobicContact CD1-CD1 4.27Å; L24-Y37 HydrophobicContact CD1-CE1 4.4Å; L24-Y37 HydrophobicContact CD1-CG 4.42Å; L24-Y37 HydrophobicContact CD2-CD1 4.46Å; L24-Y37 HydrophobicContact CD2-CG 4.1Å; E26-Y37 CarbonylContact O-C 3.58Å; E26-Y37 VanDerWaalsContact O-CA 3.28Å; E26-Y37 WeakPolarHBondContact O-CA 3.44Å; V27-Y37 HydrophobicContact CG2-CD1 3.84Å; V27-Y37 HydrophobicContact CG2-CE1 3.37Å; V27-Y37 HydrophobicContact CG2-CE2 4.39Å; Q35-Y37 HydrophobicContact CB-CD2 4.26Å; Q35-Y37 HydrophobicContact CB-CE2 3.72Å; Y37-A49 CarbonylContact O-C 3.53Å; Y37-A49 WeakPolarHBondContact O-CA 3.37Å; Y37-I50 PolarHBondContact N-O 3.44Å; Y37-I50 PolarHBondContact O-N 2.53Å; Y37-I52 HydrophobicContact CD2-CD1 3.58Å; Y37-I52 HydrophobicContact CD2-CG1 4.02Å; Y37-I52 HydrophobicContact CE2-CD1 3.7Å; Y37-I52 HydrophobicContact CE2-CG1 4.33Å; Y37-I52 HydrophobicContact CG-CD1 4.41Å
38K94.2Very high83.8Confident37 Ų3758.4 Ų58.416%0.16132%0.315CS..EExtended strand (participates in β ladder)trans-82127.5155177.4-170.4-166.6165.40107.5I25 E26 V28 Y106I25-K38 WeakPolarHBondContact CB-O 3.5Å; I25-K38 HydrophobicContact CD1-CG 4.38Å; I25-K38 PolarHBondContact N-O 2.81Å; E26-K38 HydrophobicContact CG-CB 3.93Å; E26-K38 HydrophobicContact CG-CD 3.79Å; E26-K38 PolarHBondContact N-O 2.99Å; E26-K38 PolarHBondContact O-N 2.97Å; E26-K38 WeakPolarHBondContact OE1-CD 3.5Å; E26-K38 WeakPolarHBondContact OE1-CE 3.46Å; E26-K38 IonicContact OE1-NZ 3.25Å; E26-K38 PolarHBondContact OE1-NZ 3.26Å; V28-K38 HydrophobicContact CG1-CB 3.7Å; K38-Y106 HydrophobicContact CB-CD2 4.34Å; K38-Y106 HydrophobicContact CB-CE2 3.82Å; K38-Y106 HydrophobicContact CD-CE1 4.32Å; K38-Y106 HydrophobicContact CD-CE2 3.98Å; K38-Y106 WeakPolarHBondContact CD-OH 3.47Å; K38-Y106 WeakPolarHBondContact CE-OH 3.5Å; K38-Y106 HydrophobicContact CG-CD2 4.05Å; K38-Y106 HydrophobicContact CG-CE1 4.41Å; K38-Y106 HydrophobicContact CG-CE2 3.63Å; K38-Y106 PolarHBondContact NZ-OH 3.05Å
39G94.1Very high84.3Confident0 Ų055.7 Ų55.70%030%0.3CS..EExtended strand (participates in β ladder)trans-124.2175.6173.400000112.4D23 L47 A48D23-G39 CarbonylContact O-C 3.54Å; D23-G39 WeakPolarHBondContact O-CA 3.41Å; G39-L47 WeakPolarHBondContact O-CA 3.46Å; G39-A48 PolarHBondContact N-O 2.9Å; G39-A48 PolarHBondContact O-N 2.84Å
40R94.9Very high85.2Confident104 Ų10454.4 Ų54.439%0.39229%0.287SS..EExtended strand (participates in β ladder)trans-130.9130.5177-172.1-175.9-59.9-81.59.4110F22 D23 I25 V42 G45 Q46 L47F22-R40 WeakPolarHBondContact CA-O 3.48Å; D23-R40 PolarHBondContact N-O 3.46Å; D23-R40 PolarHBondContact O-N 3.19Å; I25-R40 HydrophobicContact CD1-CB 4.15Å; R40-V42 PolarHBondContact O-N 3.28Å; R40-G45 WeakPolarHBondContact CG-O 3.2Å; R40-G45 PolarHBondContact NH1-O 3.38Å; R40-Q46 CarbonylContact C-O 3.56Å; R40-Q46 WeakPolarHBondContact CA-O 3.48Å; R40-L47 HydrophobicContact CB-CD2 4.42Å
41H94.1Very high86.1Confident44 Ų4449.4 Ų49.420%0.20426%0.259CS..EExtended strand (participates in β ladder)trans-70.3117.1169.5-177.5-122.6000109.4I21 F22 K43 T44 G45 Q46I21-H41 WeakPolarHBondContact O-CA 3.08Å; I21-H41 PolarHBondContact O-CD2 3.1Å; F22-H41 HydrophobicContact CD1-CB 4.06Å; F22-H41 HydrophobicContact CE1-CB 3.53Å; F22-H41 AromaticContact CE2-CD2 3.97Å; F22-H41 HydrophobicContact CZ-CB 3.99Å; F22-H41 AromaticContact CZ-CD2 3.74Å; H41-K43 VanDerWaalsContact C-N 3.28Å; H41-K43 PolarHBondContact O-N 2.9Å; H41-T44 PolarHBondContact ND1-OG1 3.18Å; H41-T44 PolarHBondContact O-N 3.33Å; H41-G45 WeakPolarHBondContact O-CA 3.31Å; H41-G45 PolarHBondContact O-N 2.88Å; H41-Q46 HydrophobicContact CB-CB 4.49Å; H41-Q46 PolarHBondContact N-O 3.06Å
42V92Very high87.5Confident65 Ų6549 Ų4939%0.39425%0.252SS..THydrogen-bonded Turntrans-57.1-41.4-169178.50000111.7I21 R40I21-V42 PolarHBondContact O-N 3.29Å; R40-V42 PolarHBondContact O-N 3.28Å
43K91.1Very high88.8Confident180 Ų18047.2 Ų47.278%0.78324%0.24SC*.THydrogen-bonded Turntrans-80.6-23.5-173.3-60.8-173179.3-174.40115.4H41H41-K43 VanDerWaalsContact C-N 3.28Å; H41-K43 PolarHBondContact O-N 2.9Å
44T93.3Very high89.9Confident89 Ų8949.1 Ų49.155%0.54625%0.254SS..THydrogen-bonded Turntrans-118.3-6.1-176.362.30000113.6H41 Q46H41-T44 PolarHBondContact ND1-OG1 3.18Å; H41-T44 PolarHBondContact O-N 3.33Å; T44-Q46 PolarHBondContact O-N 3.13Å; T44-Q46 WeakPolarHBondContact OG1-CB 3.48Å
45G91.1Very high90.1Very high32 Ų3249.4 Ų49.433%0.3325%0.25SC..  trans68.2-1.9-174.900000114.8R40 H41R40-G45 WeakPolarHBondContact CG-O 3.2Å; R40-G45 PolarHBondContact NH1-O 3.38Å; H41-G45 WeakPolarHBondContact O-CA 3.31Å; H41-G45 PolarHBondContact O-N 2.88Å
46Q92.8Very high89.6Confident96 Ų9649.4 Ų49.445%0.44925%0.253SS..  trans-64137-177.2-177.5176.4-4.900111.5R40 H41 T44 Y83R40-Q46 CarbonylContact C-O 3.56Å; R40-Q46 WeakPolarHBondContact CA-O 3.48Å; H41-Q46 HydrophobicContact CB-CB 4.49Å; H41-Q46 PolarHBondContact N-O 3.06Å; T44-Q46 PolarHBondContact O-N 3.13Å; T44-Q46 WeakPolarHBondContact OG1-CB 3.48Å; Q46-Y83 PolarHBondContact NE2-OH 2.91Å; Q46-Y83 VanDerWaalsContact NE2-OH 3.14Å
47L94.8Very high88.6Confident55 Ų5556.8 Ų56.829%0.28829%0.285SS..EExtended strand (participates in β ladder)trans-81.5143176.1-63.6177.9000111.4I25 G39 R40 Y106I25-L47 HydrophobicContact CD1-CD2 3.9Å; G39-L47 WeakPolarHBondContact O-CA 3.46Å; R40-L47 HydrophobicContact CB-CD2 4.42Å; L47-Y106 HydrophobicContact CB-CD1 3.89Å; L47-Y106 HydrophobicContact CB-CG 4.1Å; L47-Y106 HydrophobicContact CD1-CD1 3.91Å; L47-Y106 HydrophobicContact CD1-CE1 4.04Å
48A94.7Very high87.5Confident1 Ų160.3 Ų60.31%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-136154.4176.700000111.1F22 G39 I50 Y83 V103 M104F22-A48 HydrophobicContact CD1-CB 4.34Å; F22-A48 HydrophobicContact CE1-CB 3.86Å; G39-A48 PolarHBondContact N-O 2.9Å; G39-A48 PolarHBondContact O-N 2.84Å; A48-I50 HydrophobicContact CB-CG1 4.47Å; A48-Y83 HydrophobicContact CB-CD2 4.17Å; A48-Y83 HydrophobicContact CB-CE2 4.28Å; A48-V103 HydrophobicContact CB-CG1 3.68Å; A48-M104 CarbonylContact C-O 3.58Å; A48-M104 VanDerWaalsContact CA-O 3.3Å; A48-M104 WeakPolarHBondContact CA-O 3.49Å; A48-M104 WeakPolarHBondContact CB-O 3.28Å
49A93.8Very high86.2Confident13 Ų1360 Ų6011%0.10731%0.307CS..EExtended strand (participates in β ladder)trans-91.6132.4163.600000108.8V36 Y37 V103 M104V36-A49 HydrophobicContact CG1-CB 4.31Å; Y37-A49 CarbonylContact O-C 3.53Å; Y37-A49 WeakPolarHBondContact O-CA 3.37Å; A49-V103 WeakPolarHBondContact O-CA 3.37Å; A49-M104 PolarHBondContact N-O 3.14Å; A49-M104 PolarHBondContact O-N 2.89Å
50I92.8Very high85.1Confident0 Ų062.8 Ų62.80%032%0.32CS..EExtended strand (participates in β ladder)trans-126.1104.4-174.5-54.8-171.2000108.7F22 L24 V36 Y37 A48 I52 W101 L102 V103F22-I50 HydrophobicContact CB-CD1 3.79Å; F22-I50 HydrophobicContact CD1-CD1 3.97Å; F22-I50 HydrophobicContact CG-CD1 4.02Å; L24-I50 HydrophobicContact CD2-CB 4.33Å; L24-I50 HydrophobicContact CD2-CD1 4.02Å; L24-I50 HydrophobicContact CD2-CG2 4.3Å; V36-I50 WeakPolarHBondContact CA-O 3.3Å; Y37-I50 PolarHBondContact N-O 3.44Å; Y37-I50 PolarHBondContact O-N 2.53Å; A48-I50 HydrophobicContact CB-CG1 4.47Å; I50-I52 HydrophobicContact CG2-CD1 4.47Å; I50-I52 HydrophobicContact CG2-CG1 3.95Å; I50-W101 HydrophobicContact CD1-CE3 4.31Å; I50-W101 HydrophobicContact CD1-CZ3 4.44Å; I50-W101 HydrophobicContact CG2-CB 3.99Å; I50-W101 HydrophobicContact CG2-CD2 3.93Å; I50-W101 HydrophobicContact CG2-CE3 3.64Å; I50-W101 HydrophobicContact CG2-CG 4.12Å; I50-W101 HydrophobicContact CG2-CZ3 4.44Å; I50-L102 WeakPolarHBondContact CA-O 3.47Å; I50-V103 HydrophobicContact CD1-CG2 4.34Å; I50-V103 HydrophobicContact CG1-CG1 4.25Å; I50-V103 HydrophobicContact CG1-CG2 4.17Å; I50-V103 HydrophobicContact CG2-CG2 4.33Å
51K89.2Confident84Confident8 Ų863.9 Ų63.94%0.03533%0.329CS..EExtended strand (participates in β ladder)trans-86.9106.9177.6-179.7-178.5177.6-172.30107.8V36 M53 E66 L102 D170V36-K51 HydrophobicContact CG2-CB 4.29Å; V36-K51 HydrophobicContact CG2-CG 4.34Å; K51-M53 HydrophobicContact CD-SD 4.21Å; K51-M53 HydrophobicContact CG-CG 4.18Å; K51-M53 HydrophobicContact CG-SD 4.12Å; K51-E66 IonicContact NZ-OE1 3.23Å; K51-E66 PolarHBondContact NZ-OE1 3.28Å; K51-L102 HydrophobicContact CB-CB 4.32Å; K51-L102 HydrophobicContact CD-CD1 4.47Å; K51-L102 PolarHBondContact N-O 3.35Å; K51-L102 PolarHBondContact O-N 2.95Å; K51-D170 IonicContact NZ-OD1 2.71Å; K51-D170 PolarHBondContact NZ-OD1 3.46Å
52I88.6Confident82.6Confident16 Ų1663.8 Ų63.88%0.08233%0.329CS..EExtended strand (participates in β ladder)trans-97.2120.7-177.7-56.3-177.4000109.5L24 G34 Q35 Y37 I50 Q99 L100 W101L24-I52 HydrophobicContact CD1-CD1 3.83Å; L24-I52 HydrophobicContact CD2-CD1 4.19Å; G34-I52 VanDerWaalsContact CA-O 3.28Å; G34-I52 WeakPolarHBondContact CA-O 3.38Å; Q35-I52 PolarHBondContact N-O 3.42Å; Q35-I52 PolarHBondContact O-N 3.44Å; Y37-I52 HydrophobicContact CD2-CD1 3.58Å; Y37-I52 HydrophobicContact CD2-CG1 4.02Å; Y37-I52 HydrophobicContact CE2-CD1 3.7Å; Y37-I52 HydrophobicContact CE2-CG1 4.33Å; Y37-I52 HydrophobicContact CG-CD1 4.41Å; I50-I52 HydrophobicContact CG2-CD1 4.47Å; I50-I52 HydrophobicContact CG2-CG1 3.95Å; I52-Q99 HydrophobicContact CG2-CB 4.25Å; I52-L100 WeakPolarHBondContact CA-O 3.4Å; I52-W101 HydrophobicContact CD1-CD2 4.08Å; I52-W101 HydrophobicContact CD1-CG 4.46Å; I52-W101 HydrophobicContact CD1-CZ2 3.87Å; I52-W101 HydrophobicContact CG1-CD2 4.16Å; I52-W101 HydrophobicContact CG1-CG 4.05Å
53M81.4Confident81.8Confident11 Ų1161 Ų615%0.05431%0.312CS..EExtended strand (participates in β ladder)trans-128.1148.3-177.2-50.7-171.2-57.800109.3Y33 K51 Q99 L100 L102Y33-M53 WeakPolarHBondContact CB-SD 3.42Å; Y33-M53 HydrophobicContact CG-SD 4.31Å; K51-M53 HydrophobicContact CD-SD 4.21Å; K51-M53 HydrophobicContact CG-CG 4.18Å; K51-M53 HydrophobicContact CG-SD 4.12Å; M53-Q99 CarbonylContact O-C 3.59Å; M53-Q99 WeakPolarHBondContact O-CA 3.25Å; M53-L100 HydrophobicContact CE-CD2 3.88Å; M53-L100 PolarHBondContact N-O 3.13Å; M53-L100 PolarHBondContact O-N 3.38Å; M53-L102 HydrophobicContact CE-CD1 3.62Å; M53-L102 HydrophobicContact CE-CG 4.19Å
54N79.9Confident81.3Confident93 Ų9353.5 Ų53.550%0.49728%0.279SS..EExtended strand (participates in β ladder)trans-91.3133.5174.9-54.5-39.8000108.6Q99N54-Q99 PolarHBondContact OD1-NE2 2.39Å
55I75.4Confident80.2Confident26 Ų2651.7 Ų51.713%0.13327%0.266CS..PPolyproline II helixtrans-86.5123.3-179.2-53.1169.8000109.2I63 I87 D98 L100I55-I63 HydrophobicContact CG1-CD1 4.45Å; I55-I63 HydrophobicContact CG2-CD1 4.24Å; I55-I87 HydrophobicContact CD1-CD1 3.47Å; I55-I87 VanDerWaalsContact CD1-CD1 3.47Å; I55-I87 HydrophobicContact CD1-CG1 4.03Å; I55-D98 PolarHBondContact N-O 3.17Å; I55-L100 HydrophobicContact CD1-CB 3.99Å; I55-L100 HydrophobicContact CG1-CB 3.86Å
56N72.3Confident79.4Confident84 Ų8450.2 Ų50.245%0.44925%0.25SS..PPolyproline II helixtrans-101.9146.1163.5-57.6-49000109.3D58 E59N56-D58 PolarHBondContact O-N 3.35Å; N56-E59 HydrophobicContact CB-CG 3.97Å; N56-E59 PolarHBondContact ND2-OE1 3.03Å; N56-E59 PolarHBondContact O-N 3.13Å
57Q68.7Low78.9Confident185 Ų18545.9 Ų45.986%0.86423%0.23SC*.G310 helixtrans-63.4-26.6-177.3-67.8-179.5-40.300113.3E59Q57-E59 PolarHBondContact O-N 3.07Å
58D67.7Low78.3Confident128 Ų12843.9 Ų43.968%0.68422%0.22SC*.G310 helixtrans-70.6-7.3175.7-69.26.5000113N56 R183N56-D58 PolarHBondContact O-N 3.35Å; D58-R183 IonicContact OD2-NH2 3.76Å
59E66.6Low77.5Confident31 Ų3144.9 Ų44.915%0.14523%0.226CC..G310 helixtrans-121.4-1.8-165.5-52.7176.1-169.100113.9N56 Q57 E61 E62 I63 V181N56-E59 HydrophobicContact CB-CG 3.97Å; N56-E59 PolarHBondContact ND2-OE1 3.03Å; N56-E59 PolarHBondContact O-N 3.13Å; Q57-E59 PolarHBondContact O-N 3.07Å; E59-E61 PolarHBondContact O-N 3.17Å; E59-E62 PolarHBondContact O-N 3.09Å; E59-I63 HydrophobicContact CB-CD1 4.41Å; E59-I63 PolarHBondContact O-N 3.1Å; E59-V181 HydrophobicContact CB-CG2 4.48Å; E59-V181 HydrophobicContact CG-CG1 4.34Å; E59-V181 HydrophobicContact CG-CG2 3.96Å; E59-V181 WeakPolarHBondContact OE1-CG1 3.39Å
60E72.9Confident77.1Confident58 Ų5844.7 Ų44.727%0.27122%0.223SC..Hα-helixtrans-59.9-46.2-169.2169.1166.2159.400114.1L12 E62 I63 K64L12-E60 HydrophobicContact CD1-CB 4.45Å; L12-E60 HydrophobicContact CD1-CG 3.74Å; L12-E60 HydrophobicContact CG-CG 4.4Å; E60-E62 VanDerWaalsContact C-N 3.27Å; E60-E62 PolarHBondContact O-N 2.69Å; E60-I63 WeakPolarHBondContact O-CB 3.48Å; E60-I63 PolarHBondContact O-N 3.02Å; E60-K64 HydrophobicContact CG-CD 4.35Å; E60-K64 VanDerWaalsContact CG-CE 3.46Å; E60-K64 WeakPolarHBondContact O-CG 3.25Å; E60-K64 PolarHBondContact O-N 3.34Å; E60-K64 WeakPolarHBondContact OE1-CE 3.34Å; E60-K64 IonicContact OE1-NZ 2.57Å; E60-K64 PolarHBondContact OE1-NZ 2.95Å
61E70.2Confident76.8Confident126 Ų12648.9 Ų48.959%0.58924%0.241SC*.Hα-helixtrans-65.3-31.5-177.4-67.3-56.2119.200113E59 K64 L65E59-E61 PolarHBondContact O-N 3.17Å; E61-K64 PolarHBondContact O-N 3.38Å; E61-K64 IonicContact OE1-NZ 2.7Å; E61-K64 PolarHBondContact OE1-NZ 2.97Å; E61-L65 PolarHBondContact O-N 3.05Å
62E65.6Low76.6Confident42 Ų4254 Ų5420%0.19626%0.264CS..Hα-helixtrans-78.6-33.8-179.1-62.2168.6-145.500111E59 E60 L65 E66 L177 T180E59-E62 PolarHBondContact O-N 3.09Å; E60-E62 VanDerWaalsContact C-N 3.27Å; E60-E62 PolarHBondContact O-N 2.69Å; E62-L65 PolarHBondContact O-N 3.07Å; E62-E66 PolarHBondContact O-N 3.21Å; E62-L177 HydrophobicContact CB-CD2 3.38Å; E62-L177 HydrophobicContact CB-CG 3.83Å; E62-L177 WeakPolarHBondContact OE2-CA 3.33Å; E62-T180 VanDerWaalsContact CD-CB 3.5Å; E62-T180 WeakPolarHBondContact OE1-CB 3.36Å; E62-T180 WeakPolarHBondContact OE1-CG2 3.42Å; E62-T180 PolarHBondContact OE1-OG1 3.15Å; E62-T180 VanDerWaalsContact OE1-OG1 3.12Å; E62-T180 VanDerWaalsContact OE2-CB 3.24Å; E62-T180 WeakPolarHBondContact OE2-CB 3.47Å; E62-T180 PolarHBondContact OE2-OG1 3.47Å
63I75.9Confident76.5Confident6 Ų654.8 Ų54.83%0.03127%0.266CS..Hα-helixtrans-62.8-45.5167.5-74.9169.2000110.9L12 I55 E59 E60 L65 E66 I67 L100 L177L12-I63 HydrophobicContact CD1-CG2 4.15Å; L12-I63 HydrophobicContact CD2-CG2 4.19Å; I55-I63 HydrophobicContact CG1-CD1 4.45Å; I55-I63 HydrophobicContact CG2-CD1 4.24Å; E59-I63 HydrophobicContact CB-CD1 4.41Å; E59-I63 PolarHBondContact O-N 3.1Å; E60-I63 WeakPolarHBondContact O-CB 3.48Å; E60-I63 PolarHBondContact O-N 3.02Å; I63-L65 VanDerWaalsContact C-N 3.27Å; I63-L65 PolarHBondContact O-N 3.35Å; I63-E66 PolarHBondContact O-N 3.32Å; I63-I67 HydrophobicContact CG2-CD1 3.93Å; I63-I67 WeakPolarHBondContact O-CG1 2.95Å; I63-I67 PolarHBondContact O-N 3.4Å; I63-L100 HydrophobicContact CG2-CD2 3.48Å; I63-L100 VanDerWaalsContact CG2-CD2 3.48Å; I63-L177 HydrophobicContact CG1-CD2 4.49Å
64K79.6Confident76.9Confident23 Ų2354.3 Ų54.310%0.126%0.263CS..Hα-helixtrans-58.6-40.4174.5-69.2173.9-171.1166.20111.3I10 L12 E60 E61 N68I10-K64 HydrophobicContact CB-CG 4.27Å; I10-K64 WeakPolarHBondContact O-CD 3.36Å; I10-K64 WeakPolarHBondContact O-CE 3.41Å; L12-K64 HydrophobicContact CD2-CG 4.28Å; L12-K64 HydrophobicContact CG-CG 4.35Å; E60-K64 HydrophobicContact CG-CD 4.35Å; E60-K64 VanDerWaalsContact CG-CE 3.46Å; E60-K64 WeakPolarHBondContact O-CG 3.25Å; E60-K64 PolarHBondContact O-N 3.34Å; E60-K64 WeakPolarHBondContact OE1-CE 3.34Å; E60-K64 IonicContact OE1-NZ 2.57Å; E60-K64 PolarHBondContact OE1-NZ 2.95Å; E61-K64 PolarHBondContact O-N 3.38Å; E61-K64 IonicContact OE1-NZ 2.7Å; E61-K64 PolarHBondContact OE1-NZ 2.97Å; K64-N68 WeakPolarHBondContact O-CB 3.42Å; K64-N68 PolarHBondContact O-N 2.97Å; K64-N68 PolarHBondContact O-ND2 3.32Å
65L70.7Confident77.3Confident51 Ų5156 Ų5627%0.26727%0.268SS..Hα-helixtrans-65.6-42.5176.2-171.865.5000112.3L7 E61 E62 I63 N68 V69 V173L7-L65 HydrophobicContact CD1-CD1 3.77Å; L7-L65 HydrophobicContact CD2-CD1 4.24Å; E61-L65 PolarHBondContact O-N 3.05Å; E62-L65 PolarHBondContact O-N 3.07Å; I63-L65 VanDerWaalsContact C-N 3.27Å; I63-L65 PolarHBondContact O-N 3.35Å; L65-N68 PolarHBondContact O-N 3.08Å; L65-V69 WeakPolarHBondContact O-CG2 3.38Å; L65-V69 PolarHBondContact O-N 3.44Å; L65-V173 HydrophobicContact CB-CG1 4.03Å; L65-V173 HydrophobicContact CD2-CG1 3.82Å; L65-V173 HydrophobicContact CG-CG1 3.75Å; L65-V173 HydrophobicContact CG-CG2 4.41Å
66E73.8Confident78.2Confident2 Ų257 Ų571%0.00927%0.272CS..Hα-helixtrans-61.5-47.4176-172177.8-137.900110.9K51 E62 I63 N68 V69 L70 L102 V173 S174 L177K51-E66 IonicContact NZ-OE1 3.23Å; K51-E66 PolarHBondContact NZ-OE1 3.28Å; E62-E66 PolarHBondContact O-N 3.21Å; I63-E66 PolarHBondContact O-N 3.32Å; E66-N68 PolarHBondContact O-N 3.12Å; E66-V69 PolarHBondContact O-N 2.92Å; E66-L70 HydrophobicContact CG-CD1 3.95Å; E66-L70 HydrophobicContact CG-CG 4.39Å; E66-L70 WeakPolarHBondContact O-CB 3.44Å; E66-L70 VanDerWaalsContact O-CG 3.3Å; E66-L70 WeakPolarHBondContact O-CG 3.42Å; E66-L70 PolarHBondContact O-N 3.32Å; E66-L102 WeakPolarHBondContact OE2-CD1 3.29Å; E66-V173 HydrophobicContact CB-CB 3.97Å; E66-V173 HydrophobicContact CB-CG1 4.08Å; E66-V173 HydrophobicContact CG-CB 4.23Å; E66-S174 WeakPolarHBondContact OE1-CB 3.36Å; E66-S174 PolarHBondContact OE1-OG 2.84Å; E66-L177 HydrophobicContact CB-CD1 4.17Å
67I82.4Confident79.3Confident4 Ų457.8 Ų57.82%0.02127%0.268CS..Hα-helixtrans-59.1-45.7176.5-65.3166.4000111I10 L12 L15 I63 V69 L70 K71 Y82 A85 L100 L102I10-I67 HydrophobicContact CD1-CB 3.96Å; I10-I67 HydrophobicContact CD1-CG2 3.56Å; L12-I67 HydrophobicContact CD2-CD1 3.96Å; L15-I67 HydrophobicContact CD1-CD1 4.45Å; I63-I67 HydrophobicContact CG2-CD1 3.93Å; I63-I67 WeakPolarHBondContact O-CG1 2.95Å; I63-I67 PolarHBondContact O-N 3.4Å; I67-V69 PolarHBondContact O-N 3.48Å; I67-L70 PolarHBondContact O-N 2.99Å; I67-K71 WeakPolarHBondContact O-CB 3.45Å; I67-K71 PolarHBondContact O-N 3.14Å; I67-Y82 WeakPolarHBondContact CG2-OH 3.42Å; I67-A85 HydrophobicContact CD1-CB 4.01Å; I67-A85 HydrophobicContact CG1-CB 4.31Å; I67-L100 HydrophobicContact CD1-CD1 4.34Å; I67-L100 HydrophobicContact CD1-CD2 4.42Å; I67-L102 HydrophobicContact CD1-CD2 4.34Å; I67-L102 HydrophobicContact CG1-CD2 3.76Å
68N81.7Confident80.6Confident14 Ų1449 Ų498%0.07523%0.228CC..Hα-helixtrans-62.2-41.4-180-96.2-45.8000113L7 D8 I10 K64 L65 E66 K72L7-N68 HydrophobicContact CD2-CB 4.29Å; D8-N68 PolarHBondContact O-ND2 2.89Å; I10-N68 HydrophobicContact CD1-CB 4.43Å; K64-N68 WeakPolarHBondContact O-CB 3.42Å; K64-N68 PolarHBondContact O-N 2.97Å; K64-N68 PolarHBondContact O-ND2 3.32Å; L65-N68 PolarHBondContact O-N 3.08Å; E66-N68 PolarHBondContact O-N 3.12Å; N68-K72 VanDerWaalsContact O-CB 3.27Å; N68-K72 WeakPolarHBondContact O-CB 3.49Å; N68-K72 PolarHBondContact O-N 2.88Å
69V78.8Confident81.8Confident21 Ų2143 Ų4313%0.12720%0.195CC..Hα-helixtrans-71.7-40.7178.6171.20000111.6L65 E66 I67 K72 Y73 V148 F171 V173L65-V69 WeakPolarHBondContact O-CG2 3.38Å; L65-V69 PolarHBondContact O-N 3.44Å; E66-V69 PolarHBondContact O-N 2.92Å; I67-V69 PolarHBondContact O-N 3.48Å; V69-K72 PolarHBondContact O-N 2.76Å; V69-Y73 HydrophobicContact CB-CD2 4.48Å; V69-Y73 HydrophobicContact CG1-CD2 3.94Å; V69-Y73 HydrophobicContact CG1-CE2 4.45Å; V69-Y73 WeakPolarHBondContact O-CD2 3.36Å; V69-Y73 PolarHBondContact O-N 3.01Å; V69-Y73 VanDerWaalsContact O-N 3.08Å; V69-V148 HydrophobicContact CG1-CG1 4.4Å; V69-F171 HydrophobicContact CG1-CD2 4.41Å; V69-F171 HydrophobicContact CG1-CE2 4.02Å; V69-V173 HydrophobicContact CB-CG2 3.48Å; V69-V173 VanDerWaalsContact CB-CG2 3.48Å; V69-V173 HydrophobicContact CG1-CG2 3.76Å; V69-V173 HydrophobicContact CG2-CG2 3.46Å; V69-V173 VanDerWaalsContact CG2-CG2 3.46Å
70L85.1Confident83.1Confident9 Ų941.6 Ų41.65%0.04719%0.189CC..Hα-helixtrans-61.9-48.7173.3-72.4174.1000111.5E66 I67 K72 S74 Y82 L102 F171E66-L70 HydrophobicContact CG-CD1 3.95Å; E66-L70 HydrophobicContact CG-CG 4.39Å; E66-L70 WeakPolarHBondContact O-CB 3.44Å; E66-L70 VanDerWaalsContact O-CG 3.3Å; E66-L70 WeakPolarHBondContact O-CG 3.42Å; E66-L70 PolarHBondContact O-N 3.32Å; I67-L70 PolarHBondContact O-N 2.99Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 2.87Å; L70-S74 WeakPolarHBondContact O-CB 3.46Å; L70-S74 PolarHBondContact O-N 3.41Å; L70-S74 PolarHBondContact O-OG 3.15Å; L70-Y82 HydrophobicContact CB-CD2 4.02Å; L70-Y82 HydrophobicContact CB-CG 4.02Å; L70-Y82 HydrophobicContact CD1-CD2 4.3Å; L70-L102 HydrophobicContact CD1-CD1 4.14Å; L70-F171 HydrophobicContact CD2-CD1 4.42Å; L70-F171 HydrophobicContact CD2-CE1 3.71Å; L70-F171 HydrophobicContact CD2-CZ 3.86Å
71K86.5Confident84Confident88 Ų8840.5 Ų40.538%0.38319%0.186SC..Hα-helixtrans-55.5-42.6176.7178.9-170.6178.5-170.70112.1D8 I67 H75 Y82D8-K71 IonicContact OD2-NZ 2.81Å; D8-K71 PolarHBondContact OD2-NZ 3.15Å; I67-K71 WeakPolarHBondContact O-CB 3.45Å; I67-K71 PolarHBondContact O-N 3.14Å; K71-H75 PolarHBondContact O-NE2 2.65Å; K71-Y82 HydrophobicContact CB-CD1 4.29Å; K71-Y82 HydrophobicContact CB-CE1 4.03Å
72K85.1Confident85Confident117 Ų11735.9 Ų35.951%0.50916%0.164SC..Hα-helixtrans-84.7-33.6-172.3-169.2173.3174.5-171.50114.6N68 V69 L70N68-K72 VanDerWaalsContact O-CB 3.27Å; N68-K72 WeakPolarHBondContact O-CB 3.49Å; N68-K72 PolarHBondContact O-N 2.88Å; V69-K72 PolarHBondContact O-N 2.76Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 2.87Å
73Y86.5Confident86.2Confident32 Ų3238 Ų3813%0.12517%0.17CC..Hα-helixtrans-119.3-9.8-167.6-53.8-62.4000115.8V69 H75 H142 N146 V148V69-Y73 HydrophobicContact CB-CD2 4.48Å; V69-Y73 HydrophobicContact CG1-CD2 3.94Å; V69-Y73 HydrophobicContact CG1-CE2 4.45Å; V69-Y73 WeakPolarHBondContact O-CD2 3.36Å; V69-Y73 PolarHBondContact O-N 3.01Å; V69-Y73 VanDerWaalsContact O-N 3.08Å; Y73-H75 VanDerWaalsContact C-N 3.26Å; Y73-H75 PolarHBondContact O-N 2.97Å; Y73-H142 PolarHBondContact O-NE2 2.79Å; Y73-N146 HydrophobicContact CD1-CB 3.78Å; Y73-N146 HydrophobicContact CE1-CB 3.53Å; Y73-N146 WeakPolarHBondContact CE1-OD1 3.4Å; Y73-V148 HydrophobicContact CD2-CG2 3.75Å; Y73-V148 HydrophobicContact CE2-CG2 3.68Å; Y73-V148 HydrophobicContact CG-CG2 4.4Å
74S88.7Confident86.9Confident0 Ų038.2 Ų38.20%017%0.174CC..THydrogen-bonded Turntrans-71.2-12.1-177.1640000115.7L70 H76 Y82L70-S74 WeakPolarHBondContact O-CB 3.46Å; L70-S74 PolarHBondContact O-N 3.41Å; L70-S74 PolarHBondContact O-OG 3.15Å; S74-H76 PolarHBondContact O-N 3.22Å; S74-Y82 VanDerWaalsContact OG-CB 3.3Å; S74-Y82 WeakPolarHBondContact OG-CB 3.44Å; S74-Y82 PolarHBondContact OG-N 3.24Å
75H89.4Confident87.4Confident130 Ų13037.5 Ų37.560%0.60217%0.173SC*.THydrogen-bonded Turntrans-66.4-6.6-176.2-54.2-44.4000115.3K71 Y73K71-H75 PolarHBondContact O-NE2 2.65Å; Y73-H75 VanDerWaalsContact C-N 3.26Å; Y73-H75 PolarHBondContact O-N 2.97Å
76H93.6Very high88.4Confident46 Ų4636.2 Ų36.221%0.21317%0.165CC..SBendtrans-75135.2178.8-179.5-103.2000111.5S74 N78 I79 R138 H142S74-H76 PolarHBondContact O-N 3.22Å; H76-N78 PolarHBondContact ND1-N 2.83Å; H76-N78 PolarHBondContact O-N 3.01Å; H76-I79 HydrophobicContact CB-CD1 4.15Å; H76-I79 HydrophobicContact CB-CG1 4.27Å; H76-I79 PolarHBondContact O-N 2.87Å; H76-R138 PolarHBondContact CE1-O 2.74Å; H76-H142 HydrophobicContact CB-CB 4.26Å; H76-H142 AromaticContact CG-CG 3.77Å
77R94.9Very high89.2Confident100 Ų10036.6 Ų36.638%0.37717%0.167SC..THydrogen-bonded Turntrans-51.4-32.5-172.967.3-177.4-70.8-87.811.7115.4I79 E135 K167 E314R77-I79 VanDerWaalsContact C-N 3.33Å; R77-E135 IonicContact CZ-OE2 2.85Å; R77-E135 IonicContact NH1-OE2 3.67Å; R77-E135 PolarHBondContact NH1-OE2 3Å; R77-E135 IonicContact NH2-OE2 3.67Å; R77-K167 WeakPolarHBondContact O-CE 3.5Å; R77-K167 PolarHBondContact O-NZ 2.84Å; R77-E314 IonicContact CZ-OE1 3.83Å; R77-E314 IonicContact NH2-OE1 2.72Å; R77-E314 PolarHBondContact NH2-OE1 3.12Å
78N95.9Very high89.4Confident2 Ų241.8 Ų41.81%0.01119%0.187CC..THydrogen-bonded Turntrans-93.920.9179.1-61.4110.5000113.7H76 E135 R138 V166 K167 L168H76-N78 PolarHBondContact ND1-N 2.83Å; H76-N78 PolarHBondContact O-N 3.01Å; N78-E135 WeakPolarHBondContact CB-O 3.37Å; N78-E135 WeakPolarHBondContact ND2-CB 3.39Å; N78-E135 PolarHBondContact ND2-OE2 3.06Å; N78-R138 WeakPolarHBondContact OD1-CB 3.34Å; N78-V166 WeakPolarHBondContact CA-O 3.46Å; N78-V166 PolarHBondContact ND2-O 2.86Å; N78-K167 WeakPolarHBondContact O-CA 3.27Å; N78-L168 WeakPolarHBondContact O-CG 3.31Å; N78-L168 PolarHBondContact O-N 2.71Å
79I94.2Very high89.4Confident0 Ų046.5 Ų46.50%021%0.207CC..BIsolated β-bridgetrans-124.2151169.7-56.1-177.9000106.9H76 R77 T81 L143 K167 L168 F171H76-I79 HydrophobicContact CB-CD1 4.15Å; H76-I79 HydrophobicContact CB-CG1 4.27Å; H76-I79 PolarHBondContact O-N 2.87Å; R77-I79 VanDerWaalsContact C-N 3.33Å; I79-T81 PolarHBondContact O-N 3.17Å; I79-L143 HydrophobicContact CD1-CD1 4.33Å; I79-L143 HydrophobicContact CD1-CD2 3.81Å; I79-L143 HydrophobicContact CD1-CG 3.92Å; I79-K167 PolarHBondContact O-NZ 3.46Å; I79-K167 VanDerWaalsContact O-NZ 3.17Å; I79-L168 HydrophobicContact CG1-CB 4.48Å; I79-F171 HydrophobicContact CG2-CD1 3.92Å; I79-F171 HydrophobicContact CG2-CE1 3.33Å; I79-F171 HydrophobicContact CG2-CZ 3.95Å
80A92.8Very high89.1Confident2 Ų247.8 Ų47.82%0.01721%0.211CC..PPolyproline II helixtrans-73.2120.7171.200000109.6Y82 E105 L168 V169A80-Y82 PolarHBondContact O-N 3.14Å; A80-E105 HydrophobicContact CB-CB 4.39Å; A80-L168 PolarHBondContact N-O 3.43Å; A80-V169 HydrophobicContact CB-CG1 3.62Å
81T93Very high88.4Confident35 Ų3550.9 Ų50.922%0.21523%0.232CC..PPolyproline II helixtrans-67129.5-174.3-46.20000110.8I79 Y83 M104 E105I79-T81 PolarHBondContact O-N 3.17Å; T81-Y83 HydrophobicContact CG2-CD1 4.22Å; T81-Y83 HydrophobicContact CG2-CE1 4.02Å; T81-M104 CarbonylContact O-C 3.49Å; T81-M104 VanDerWaalsContact O-CA 3.27Å; T81-M104 WeakPolarHBondContact O-CA 3.49Å; T81-E105 WeakPolarHBondContact CB-OE2 3.4Å; T81-E105 PolarHBondContact N-OE2 2.91Å; T81-E105 PolarHBondContact O-N 3.04Å; T81-E105 PolarHBondContact OG1-OE2 3.06Å
82Y91.4Very high87.1Confident30 Ų3052.5 Ų52.512%0.11825%0.254CS..EExtended strand (participates in β ladder)trans-77.7132.3170.8167.2-98.3000110.3I67 L70 K71 S74 A80 G84 A85 L102I67-Y82 WeakPolarHBondContact CG2-OH 3.42Å; L70-Y82 HydrophobicContact CB-CD2 4.02Å; L70-Y82 HydrophobicContact CB-CG 4.02Å; L70-Y82 HydrophobicContact CD1-CD2 4.3Å; K71-Y82 HydrophobicContact CB-CD1 4.29Å; K71-Y82 HydrophobicContact CB-CE1 4.03Å; S74-Y82 VanDerWaalsContact OG-CB 3.3Å; S74-Y82 WeakPolarHBondContact OG-CB 3.44Å; S74-Y82 PolarHBondContact OG-N 3.24Å; A80-Y82 PolarHBondContact O-N 3.14Å; Y82-G84 VanDerWaalsContact CE2-O 3.28Å; Y82-G84 WeakPolarHBondContact CE2-O 3.35Å; Y82-G84 VanDerWaalsContact CZ-CA 3.46Å; Y82-A85 HydrophobicContact CE2-CB 4.47Å; Y82-A85 VanDerWaalsContact OH-CB 3.26Å; Y82-A85 WeakPolarHBondContact OH-CB 3.4Å; Y82-A85 PolarHBondContact OH-N 3.36Å; Y82-L102 HydrophobicContact CE2-CD2 4.36Å
83Y90.9Very high85.5Confident85 Ų8552.1 Ų52.133%0.33327%0.266SS..EExtended strand (participates in β ladder)trans-106.3-25.7-178.6-61.1-25.1000113.2Q46 A48 T81 V103 E105Q46-Y83 PolarHBondContact NE2-OH 2.91Å; Q46-Y83 VanDerWaalsContact NE2-OH 3.14Å; A48-Y83 HydrophobicContact CB-CD2 4.17Å; A48-Y83 HydrophobicContact CB-CE2 4.28Å; T81-Y83 HydrophobicContact CG2-CD1 4.22Å; T81-Y83 HydrophobicContact CG2-CE1 4.02Å; Y83-V103 HydrophobicContact CD2-CG1 4.17Å; Y83-V103 PolarHBondContact N-O 3.44Å; Y83-E105 HydrophobicContact CE1-CB 4.37Å; Y83-E105 HydrophobicContact CE2-CB 4.45Å
84G90.2Very high84.1Confident11 Ų1153.7 Ų53.711%0.11328%0.279CS..EExtended strand (participates in β ladder)trans161.2170.2177.800000114.2Y82 V103Y82-G84 VanDerWaalsContact CE2-O 3.28Å; Y82-G84 WeakPolarHBondContact CE2-O 3.35Å; Y82-G84 VanDerWaalsContact CZ-CA 3.46Å; G84-V103 PolarHBondContact N-O 2.98Å; G84-V103 WeakPolarHBondContact O-CB 3.45Å; G84-V103 PolarHBondContact O-N 3.49Å
85A90.7Very high82.5Confident9 Ų956.6 Ų56.67%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-120.5140172.600000108.8L15 I67 Y82 L100 W101 L102L15-A85 HydrophobicContact CD1-CB 3.95Å; L15-A85 HydrophobicContact CD2-CB 4.29Å; I67-A85 HydrophobicContact CD1-CB 4.01Å; I67-A85 HydrophobicContact CG1-CB 4.31Å; Y82-A85 HydrophobicContact CE2-CB 4.47Å; Y82-A85 VanDerWaalsContact OH-CB 3.26Å; Y82-A85 WeakPolarHBondContact OH-CB 3.4Å; Y82-A85 PolarHBondContact OH-N 3.36Å; A85-L100 HydrophobicContact CB-CD1 4.31Å; A85-W101 WeakPolarHBondContact CA-O 3.04Å; A85-L102 HydrophobicContact CB-CD2 3.94Å
86F91.7Very high81.1Confident23 Ų2357.5 Ų57.510%0.10131%0.311CS..EExtended strand (participates in β ladder)trans-135.4147.5-178.2-58.8-94.8000108.5R16 P18 I21 F22 W101 V103R16-F86 HydrophobicContact CB-CD1 4.1Å; R16-F86 HydrophobicContact CB-CE1 4.44Å; R16-F86 CarbonylContact O-C 3.59Å; R16-F86 VanDerWaalsContact O-CA 3.24Å; R16-F86 WeakPolarHBondContact O-CA 3.38Å; R16-F86 VanDerWaalsContact O-CB 3.27Å; R16-F86 WeakPolarHBondContact O-CB 3.5Å; P18-F86 HydrophobicContact CB-CB 3.86Å; P18-F86 HydrophobicContact CB-CG 4.22Å; P18-F86 HydrophobicContact CG-CB 4.24Å; I21-F86 HydrophobicContact CB-CE1 4.5Å; I21-F86 HydrophobicContact CD1-CD1 4.12Å; I21-F86 HydrophobicContact CD1-CE1 3.68Å; I21-F86 HydrophobicContact CG2-CE1 4.06Å; I21-F86 HydrophobicContact CG2-CZ 4.19Å; F22-F86 HydrophobicContact CD2-CE2 4.09Å; F22-F86 HydrophobicContact CD2-CZ 4.2Å; F22-F86 AromaticContact CE2-CE2 3.75Å; F22-F86 HydrophobicContact CE2-CE2 3.75Å; F22-F86 AromaticContact CE2-CZ 3.78Å; F22-F86 HydrophobicContact CE2-CZ 3.78Å; F86-W101 HydrophobicContact CB-CB 4.26Å; F86-W101 PolarHBondContact N-O 3.15Å; F86-W101 PolarHBondContact O-N 3.38Å; F86-V103 HydrophobicContact CD2-CG2 3.62Å; F86-V103 HydrophobicContact CE2-CB 4.29Å; F86-V103 HydrophobicContact CE2-CG2 3.73Å
87I89.3Confident79.9Confident10 Ų1057 Ų575%0.05132%0.319CS..EExtended strand (participates in β ladder)trans-117.1119.1174.4-70.9-173.5000109.4L12 L15 R16 D17 I55 K89 D98 Q99 L100L12-I87 HydrophobicContact CB-CD1 3.83Å; L12-I87 WeakPolarHBondContact O-CD1 3.44Å; L15-I87 HydrophobicContact CB-CB 4.41Å; L15-I87 HydrophobicContact CB-CD1 4.46Å; L15-I87 HydrophobicContact CB-CG1 4.1Å; L15-I87 HydrophobicContact CD1-CD1 4.04Å; L15-I87 HydrophobicContact CD1-CG1 3.96Å; R16-I87 PolarHBondContact O-N 2.98Å; D17-I87 WeakPolarHBondContact CA-O 3.46Å; I55-I87 HydrophobicContact CD1-CD1 3.47Å; I55-I87 VanDerWaalsContact CD1-CD1 3.47Å; I55-I87 HydrophobicContact CD1-CG1 4.03Å; I87-K89 HydrophobicContact CG2-CG 4.04Å; I87-D98 HydrophobicContact CG2-CB 4.04Å; I87-Q99 WeakPolarHBondContact CA-O 3.44Å; I87-L100 HydrophobicContact CD1-CD1 4.36Å; I87-L100 HydrophobicContact CG1-CD1 3.88Å
88R87.3Confident79.3Confident114 Ų11454.8 Ų54.843%0.4332%0.315SS..EExtended strand (participates in β ladder)trans-91.5107.7169.2-170.4176.4-174.21704.6108.6P18 Q99P18-R88 HydrophobicContact CG-CB 4Å; R88-Q99 PolarHBondContact N-O 2.91Å; R88-Q99 PolarHBondContact O-N 3.25Å; R88-Q99 VanDerWaalsContact O-N 3.08Å
89K81.3Confident78.9Confident113 Ų11356.6 Ų56.649%0.49132%0.323SS..PPolyproline II helixtrans-72.6131.2179.8-58.6-163177.5-1720110.3I87 D98I87-K89 HydrophobicContact CG2-CG 4.04Å; K89-D98 VanDerWaalsContact CA-OD1 3.24Å; K89-D98 WeakPolarHBondContact CA-OD1 3.32Å
90Q73.1Confident78.5Confident48 Ų4856.6 Ų56.622%0.22432%0.323CS..PPolyproline II helixtrans-95.1143.3-179.4-73-68.9-16.400110.3S92 D98 Q99Q90-S92 PolarHBondContact O-N 2.84Å; Q90-D98 PolarHBondContact N-OD1 3.17Å; Q90-Q99 HydrophobicContact CG-CG 4.16Å
91P69.4Low78.4Confident73 Ų7356.9 Ų56.947%0.47432%0.324SS..PPolyproline II helixtrans-61.4128.2176-19.731.3000110.1S93 T94P91-S93 PolarHBondContact O-N 2.69Å; P91-T94 HydrophobicContact CB-CG2 4.17Å; P91-T94 HydrophobicContact CG-CG2 4.35Å; P91-T94 WeakPolarHBondContact O-CB 3.45Å; P91-T94 WeakPolarHBondContact O-CG2 3.35Å; P91-T94 PolarHBondContact O-N 2.95Å; P91-T94 PolarHBondContact O-OG1 3.28Å
92S59.9Low78.2Confident122 Ų12255.3 Ų55.385%0.85331%0.314SS*.G310 helixtrans-59.1-20.9-176.754.20000113.9Q90 T94Q90-S92 PolarHBondContact O-N 2.84Å; S92-T94 PolarHBondContact O-N 3.16Å
93S51.5Low78.3Confident110 Ų11053.9 Ų53.977%0.76931%0.308SS*.G310 helixtrans-66.7-12.9170.854.30000114.9P91P91-S93 PolarHBondContact O-N 2.69Å
94T58.2Low78.3Confident64 Ų6450.5 Ų50.539%0.39330%0.296SS..G310 helixtrans-88.4-11.9-178.265.10000114.5P91 S92 K96P91-T94 HydrophobicContact CB-CG2 4.17Å; P91-T94 HydrophobicContact CG-CG2 4.35Å; P91-T94 WeakPolarHBondContact O-CB 3.45Å; P91-T94 WeakPolarHBondContact O-CG2 3.35Å; P91-T94 PolarHBondContact O-N 2.95Å; P91-T94 PolarHBondContact O-OG1 3.28Å; S92-T94 PolarHBondContact O-N 3.16Å; T94-K96 PolarHBondContact O-N 2.94Å
95G54.6Low78.5Confident62 Ų6251.6 Ų51.664%0.63930%0.298SS*.  trans66.216.3-176.200000114.8
96K60Low78.7Confident148 Ų14853.3 Ų53.364%0.64330%0.303SS*.  trans-109144.7177.1-63176.8-176.6176.70110.2T94T94-K96 PolarHBondContact O-N 2.94Å
97G68.1Low78.7Confident37 Ų3752.8 Ų52.838%0.38130%0.302SS..  trans-70.316616900000112.5
98D82.1Confident78.7Confident52 Ų5253.1 Ų53.128%0.27831%0.308SS..  trans-64.9154.9175.9-75.4-12000111.6I55 I87 K89 Q90I55-D98 PolarHBondContact N-O 3.17Å; I87-D98 HydrophobicContact CG2-CB 4.04Å; K89-D98 VanDerWaalsContact CA-OD1 3.24Å; K89-D98 WeakPolarHBondContact CA-OD1 3.32Å; Q90-D98 PolarHBondContact N-OD1 3.17Å
99Q86.5Confident78.9Confident41 Ų4148.3 Ų48.319%0.19229%0.293CS..EExtended strand (participates in β ladder)trans-112.3118.8-173.4-59-166.2-65.900111.8I52 M53 N54 I87 R88 Q90I52-Q99 HydrophobicContact CG2-CB 4.25Å; M53-Q99 CarbonylContact O-C 3.59Å; M53-Q99 WeakPolarHBondContact O-CA 3.25Å; N54-Q99 PolarHBondContact OD1-NE2 2.39Å; I87-Q99 WeakPolarHBondContact CA-O 3.44Å; R88-Q99 PolarHBondContact N-O 2.91Å; R88-Q99 PolarHBondContact O-N 3.25Å; R88-Q99 VanDerWaalsContact O-N 3.08Å; Q90-Q99 HydrophobicContact CG-CG 4.16Å
100L87.1Confident79.3Confident0 Ų044.3 Ų44.30%028%0.283CS..EExtended strand (participates in β ladder)trans-79131.9169.7-172.669.9000109.9L15 I52 M53 I55 I63 I67 A85 I87 L102L15-L100 HydrophobicContact CD1-CD1 3.97Å; I52-L100 WeakPolarHBondContact CA-O 3.4Å; M53-L100 HydrophobicContact CE-CD2 3.88Å; M53-L100 PolarHBondContact N-O 3.13Å; M53-L100 PolarHBondContact O-N 3.38Å; I55-L100 HydrophobicContact CD1-CB 3.99Å; I55-L100 HydrophobicContact CG1-CB 3.86Å; I63-L100 HydrophobicContact CG2-CD2 3.48Å; I63-L100 VanDerWaalsContact CG2-CD2 3.48Å; I67-L100 HydrophobicContact CD1-CD1 4.34Å; I67-L100 HydrophobicContact CD1-CD2 4.42Å; A85-L100 HydrophobicContact CB-CD1 4.31Å; I87-L100 HydrophobicContact CD1-CD1 4.36Å; I87-L100 HydrophobicContact CG1-CD1 3.88Å; L100-L102 HydrophobicContact CD2-CD2 3.88Å; L100-L102 HydrophobicContact CD2-CG 4.04Å; L100-L102 HydrophobicContact CG-CD2 4.16Å; L100-L102 HydrophobicContact CG-CG 4.32Å
101W91Very high80.2Confident8 Ų842.3 Ų42.33%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-114.3105.8173-71.532.4000108.1P18 L24 I50 I52 A85 F86P18-W101 HydrophobicContact CB-CD2 3.94Å; P18-W101 HydrophobicContact CB-CE3 3.4Å; P18-W101 HydrophobicContact CB-CH2 4.27Å; P18-W101 HydrophobicContact CB-CZ3 3.59Å; P18-W101 HydrophobicContact CG-CD2 3.63Å; P18-W101 HydrophobicContact CG-CE3 3.59Å; P18-W101 HydrophobicContact CG-CG 4.22Å; P18-W101 HydrophobicContact CG-CH2 4.02Å; P18-W101 HydrophobicContact CG-CZ2 4.05Å; P18-W101 HydrophobicContact CG-CZ3 3.79Å; L24-W101 HydrophobicContact CD1-CH2 3.63Å; L24-W101 HydrophobicContact CD1-CZ2 3.9Å; L24-W101 HydrophobicContact CD1-CZ3 4.4Å; L24-W101 HydrophobicContact CD2-CE3 4.38Å; L24-W101 HydrophobicContact CD2-CH2 3.81Å; L24-W101 HydrophobicContact CD2-CZ3 3.72Å; L24-W101 HydrophobicContact CG-CH2 3.62Å; L24-W101 HydrophobicContact CG-CZ2 4.37Å; L24-W101 HydrophobicContact CG-CZ3 3.99Å; I50-W101 HydrophobicContact CD1-CE3 4.31Å; I50-W101 HydrophobicContact CD1-CZ3 4.44Å; I50-W101 HydrophobicContact CG2-CB 3.99Å; I50-W101 HydrophobicContact CG2-CD2 3.93Å; I50-W101 HydrophobicContact CG2-CE3 3.64Å; I50-W101 HydrophobicContact CG2-CG 4.12Å; I50-W101 HydrophobicContact CG2-CZ3 4.44Å; I52-W101 HydrophobicContact CD1-CD2 4.08Å; I52-W101 HydrophobicContact CD1-CG 4.46Å; I52-W101 HydrophobicContact CD1-CZ2 3.87Å; I52-W101 HydrophobicContact CG1-CD2 4.16Å; I52-W101 HydrophobicContact CG1-CG 4.05Å; A85-W101 WeakPolarHBondContact CA-O 3.04Å; F86-W101 HydrophobicContact CB-CB 4.26Å; F86-W101 PolarHBondContact N-O 3.15Å; F86-W101 PolarHBondContact O-N 3.38Å
102L89Confident81.4Confident1 Ų138.9 Ų38.91%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-87.6117.7170-62.3-179.9000109I50 K51 M53 E66 I67 L70 Y82 A85 L100I50-L102 WeakPolarHBondContact CA-O 3.47Å; K51-L102 HydrophobicContact CB-CB 4.32Å; K51-L102 HydrophobicContact CD-CD1 4.47Å; K51-L102 PolarHBondContact N-O 3.35Å; K51-L102 PolarHBondContact O-N 2.95Å; M53-L102 HydrophobicContact CE-CD1 3.62Å; M53-L102 HydrophobicContact CE-CG 4.19Å; E66-L102 WeakPolarHBondContact OE2-CD1 3.29Å; I67-L102 HydrophobicContact CD1-CD2 4.34Å; I67-L102 HydrophobicContact CG1-CD2 3.76Å; L70-L102 HydrophobicContact CD1-CD1 4.14Å; Y82-L102 HydrophobicContact CE2-CD2 4.36Å; A85-L102 HydrophobicContact CB-CD2 3.94Å; L100-L102 HydrophobicContact CD2-CD2 3.88Å; L100-L102 HydrophobicContact CD2-CG 4.04Å; L100-L102 HydrophobicContact CG-CD2 4.16Å; L100-L102 HydrophobicContact CG-CG 4.32Å
103V92.6Very high82.8Confident0 Ų033.8 Ų33.80%022%0.216CC..EExtended strand (participates in β ladder)trans-105.3127.7-174.8-174.30000110.1F22 A48 A49 I50 Y83 G84 F86F22-V103 HydrophobicContact CD1-CG1 4.31Å; F22-V103 HydrophobicContact CD2-CG2 4.39Å; F22-V103 HydrophobicContact CE1-CG1 3.75Å; F22-V103 HydrophobicContact CE2-CG1 4.08Å; F22-V103 HydrophobicContact CE2-CG2 4.38Å; F22-V103 HydrophobicContact CZ-CG1 3.65Å; A48-V103 HydrophobicContact CB-CG1 3.68Å; A49-V103 WeakPolarHBondContact O-CA 3.37Å; I50-V103 HydrophobicContact CD1-CG2 4.34Å; I50-V103 HydrophobicContact CG1-CG1 4.25Å; I50-V103 HydrophobicContact CG1-CG2 4.17Å; I50-V103 HydrophobicContact CG2-CG2 4.33Å; Y83-V103 HydrophobicContact CD2-CG1 4.17Å; Y83-V103 PolarHBondContact N-O 3.44Å; G84-V103 PolarHBondContact N-O 2.98Å; G84-V103 WeakPolarHBondContact O-CB 3.45Å; G84-V103 PolarHBondContact O-N 3.49Å; F86-V103 HydrophobicContact CD2-CG2 3.62Å; F86-V103 HydrophobicContact CE2-CB 4.29Å; F86-V103 HydrophobicContact CE2-CG2 3.73Å
104M91.8Very high84.6Confident15 Ų1531.3 Ų31.37%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-139170.5-174.4-56.2-173.1-63.900111.9A48 A49 T81A48-M104 CarbonylContact C-O 3.58Å; A48-M104 VanDerWaalsContact CA-O 3.3Å; A48-M104 WeakPolarHBondContact CA-O 3.49Å; A48-M104 WeakPolarHBondContact CB-O 3.28Å; A49-M104 PolarHBondContact N-O 3.14Å; A49-M104 PolarHBondContact O-N 2.89Å; T81-M104 CarbonylContact O-C 3.49Å; T81-M104 VanDerWaalsContact O-CA 3.27Å; T81-M104 WeakPolarHBondContact O-CA 3.49Å
105E93.3Very high86.2Confident33 Ų3328.4 Ų28.415%0.15418%0.176CC..EExtended strand (participates in β ladder)trans-59.3129174.6-176.9173.2-172.200113.6A80 T81 Y83 C107 K167A80-E105 HydrophobicContact CB-CB 4.39Å; T81-E105 WeakPolarHBondContact CB-OE2 3.4Å; T81-E105 PolarHBondContact N-OE2 2.91Å; T81-E105 PolarHBondContact O-N 3.04Å; T81-E105 PolarHBondContact OG1-OE2 3.06Å; Y83-E105 HydrophobicContact CE1-CB 4.37Å; Y83-E105 HydrophobicContact CE2-CB 4.45Å; E105-C107 PolarHBondContact O-N 3.4Å; E105-K167 VanDerWaalsContact CD-CE 3.44Å; E105-K167 WeakPolarHBondContact OE1-CE 3.48Å; E105-K167 IonicContact OE1-NZ 2.93Å; E105-K167 PolarHBondContact OE1-NZ 3.37Å; E105-K167 WeakPolarHBondContact OE2-CE 3.41Å; E105-K167 IonicContact OE2-NZ 3.17Å; E105-K167 PolarHBondContact OE2-NZ 3.37Å
106Y94.3Very high87.9Confident46 Ų4625.7 Ų25.718%0.1815%0.147CC..  trans-81.9111.6179.7-176.9-110.1000112.6V28 K38 L47 G108V28-Y106 HydrophobicContact CG1-CE2 4.33Å; K38-Y106 HydrophobicContact CB-CD2 4.34Å; K38-Y106 HydrophobicContact CB-CE2 3.82Å; K38-Y106 HydrophobicContact CD-CE1 4.32Å; K38-Y106 HydrophobicContact CD-CE2 3.98Å; K38-Y106 WeakPolarHBondContact CD-OH 3.47Å; K38-Y106 WeakPolarHBondContact CE-OH 3.5Å; K38-Y106 HydrophobicContact CG-CD2 4.05Å; K38-Y106 HydrophobicContact CG-CE1 4.41Å; K38-Y106 HydrophobicContact CG-CE2 3.63Å; K38-Y106 PolarHBondContact NZ-OH 3.05Å; L47-Y106 HydrophobicContact CB-CD1 3.89Å; L47-Y106 HydrophobicContact CB-CG 4.1Å; L47-Y106 HydrophobicContact CD1-CD1 3.91Å; L47-Y106 HydrophobicContact CD1-CE1 4.04Å; Y106-G108 VanDerWaalsContact CE1-CA 3.47Å; Y106-G108 PolarHBondContact O-N 2.67Å
107C93.1Very high89.1Confident11 Ų1125.3 Ų25.37%0.07415%0.145CC..  trans-91.883.1177-63.10000110.9E105 A109 G110 L159 L160E105-C107 PolarHBondContact O-N 3.4Å; C107-A109 VanDerWaalsContact C-N 3.26Å; C107-A109 PolarHBondContact O-N 2.93Å; C107-A109 VanDerWaalsContact O-N 3.13Å; C107-G110 PolarHBondContact O-N 2.91Å; C107-L159 HydrophobicContact CB-CB 3.49Å; C107-L159 VanDerWaalsContact CB-CB 3.49Å; C107-L159 HydrophobicContact CB-CD1 3.86Å; C107-L159 HydrophobicContact CB-CG 4.34Å; C107-L160 CarbonylContact C-O 3.53Å; C107-L160 WeakPolarHBondContact CB-O 3.49Å
108G89.5Confident89.7Confident17 Ų1725.6 Ų25.618%0.17514%0.141CC..THydrogen-bonded Turntrans-65.5-12.9-167.800000117.4Y106 R329Y106-G108 VanDerWaalsContact CE1-CA 3.47Å; Y106-G108 PolarHBondContact O-N 2.67Å; G108-R329 VanDerWaalsContact C-NH2 3.28Å; G108-R329 PolarHBondContact O-NH2 3.02Å
109A89.6Confident89.7Confident14 Ų1423.6 Ų23.612%0.11613%0.132CC..THydrogen-bonded Turntrans-91.15.1179.400000114.2C107 L160 L325C107-A109 VanDerWaalsContact C-N 3.26Å; C107-A109 PolarHBondContact O-N 2.93Å; C107-A109 VanDerWaalsContact O-N 3.13Å; A109-L160 WeakPolarHBondContact CA-O 3.37Å; A109-L160 HydrophobicContact CB-CB 3.73Å; A109-L160 WeakPolarHBondContact CB-O 3.47Å; A109-L160 PolarHBondContact N-O 2.12Å; A109-L325 HydrophobicContact CB-CD1 3.78Å; A109-L325 HydrophobicContact CB-CD2 4.26Å
110G90.3Very high89.1Confident28 Ų2831 Ų3129%0.28916%0.164SC..  trans80.2-164.1175.700000113.4C107 L159 L160C107-G110 PolarHBondContact O-N 2.91Å; G110-L159 WeakPolarHBondContact O-CA 3.49Å; G110-L160 PolarHBondContact O-N 3.26Å
111S92.9Very high88.5Confident7 Ų734.5 Ų34.55%0.04920%0.2CC..BIsolated β-bridgetrans-90162-179.478.60000113.3T113 D114 L115 G155 V158S111-T113 PolarHBondContact O-N 2.64Å; S111-T113 PolarHBondContact OG-N 2.68Å; S111-D114 WeakPolarHBondContact CB-OD2 3.49Å; S111-D114 PolarHBondContact N-OD2 3.32Å; S111-D114 VanDerWaalsContact N-OD2 3.14Å; S111-D114 WeakPolarHBondContact O-CA 3.48Å; S111-D114 WeakPolarHBondContact O-CB 3.44Å; S111-D114 PolarHBondContact O-N 3.15Å; S111-D114 PolarHBondContact OG-N 2.88Å; S111-D114 PolarHBondContact OG-OD2 3.12Å; S111-L115 PolarHBondContact O-N 2.93Å; S111-G155 WeakPolarHBondContact CB-O 3.24Å; S111-V158 CarbonylContact C-O 3.17Å; S111-V158 WeakPolarHBondContact CA-O 3.37Å
112V93.7Very high87.9Confident0 Ų036 Ų360%021%0.214CC..Hα-helixtrans-60.4-35.4170.8167.30000111.3D114 L115 V116 I132 G155 V158 L160 M244V112-D114 PolarHBondContact O-N 3.09Å; V112-L115 PolarHBondContact O-N 3.31Å; V112-V116 VanDerWaalsContact O-CG2 3.24Å; V112-V116 WeakPolarHBondContact O-CG2 3.33Å; V112-V116 PolarHBondContact O-N 2.98Å; V112-I132 HydrophobicContact CG1-CD1 4.49Å; V112-I132 HydrophobicContact CG1-CG2 4.46Å; V112-I132 HydrophobicContact CG2-CD1 4.23Å; V112-I132 HydrophobicContact CG2-CG2 3.9Å; V112-G155 WeakPolarHBondContact CA-O 3.5Å; V112-G155 WeakPolarHBondContact CB-O 3.35Å; V112-G155 PolarHBondContact N-O 3.05Å; V112-V158 HydrophobicContact CB-CB 4.3Å; V112-V158 HydrophobicContact CB-CG1 4.44Å; V112-V158 HydrophobicContact CG2-CB 3.94Å; V112-V158 HydrophobicContact CG2-CG1 3.57Å; V112-V158 PolarHBondContact N-O 3.12Å; V112-L160 HydrophobicContact CG2-CD1 4.43Å; V112-M244 HydrophobicContact CG1-CG 3.53Å; V112-M244 HydrophobicContact CG1-SD 3.5Å; V112-M244 VanDerWaalsContact CG1-SD 3.5Å
113T90.5Very high87.8Confident15 Ų1537.2 Ų37.29%0.09222%0.222CC..Hα-helixtrans-61-31.8171.8-62.80000111.7S111 K117 G155 Q156 E243S111-T113 PolarHBondContact O-N 2.64Å; S111-T113 PolarHBondContact OG-N 2.68Å; T113-K117 WeakPolarHBondContact O-CG 3.27Å; T113-K117 PolarHBondContact O-N 3.32Å; T113-K117 VanDerWaalsContact O-N 3.12Å; T113-G155 PolarHBondContact N-O 2.77Å; T113-G155 VanDerWaalsContact OG1-CA 3.25Å; T113-G155 WeakPolarHBondContact OG1-CA 3.39Å; T113-G155 PolarHBondContact OG1-O 2.75Å; T113-Q156 HydrophobicContact CG2-CG 4.34Å; T113-Q156 PolarHBondContact OG1-N 3.24Å; T113-E243 PolarHBondContact OG1-OE1 3.28Å
114D89Confident87.7Confident59 Ų5937.5 Ų37.532%0.31622%0.224SC..Hα-helixtrans-78.1-40.4176.2-54.2-51.3000111.9S111 V112 V116 K117 C118S111-D114 WeakPolarHBondContact CB-OD2 3.49Å; S111-D114 PolarHBondContact N-OD2 3.32Å; S111-D114 VanDerWaalsContact N-OD2 3.14Å; S111-D114 WeakPolarHBondContact O-CA 3.48Å; S111-D114 WeakPolarHBondContact O-CB 3.44Å; S111-D114 PolarHBondContact O-N 3.15Å; S111-D114 PolarHBondContact OG-N 2.88Å; S111-D114 PolarHBondContact OG-OD2 3.12Å; V112-D114 PolarHBondContact O-N 3.09Å; D114-V116 PolarHBondContact O-N 2.97Å; D114-K117 PolarHBondContact O-N 3.13Å; D114-K117 VanDerWaalsContact O-N 3.15Å; D114-K117 IonicContact OD1-NZ 3.27Å; D114-K117 PolarHBondContact OD1-NZ 3.21Å; D114-C118 WeakPolarHBondContact O-CB 3.46Å; D114-C118 PolarHBondContact O-N 3.39Å; D114-C118 PolarHBondContact O-SG 3.28Å
115L90.8Very high87.7Confident3 Ų342.6 Ų42.62%0.01625%0.246CC..Hα-helixtrans-55.9-38.2169.5177.562000111.7S111 V112 C118 A119 L124 I132 L160 I321 Y324 L325S111-L115 PolarHBondContact O-N 2.93Å; V112-L115 PolarHBondContact O-N 3.31Å; L115-C118 PolarHBondContact O-N 2.95Å; L115-A119 PolarHBondContact O-N 2.78Å; L115-A119 VanDerWaalsContact O-N 3.15Å; L115-L124 HydrophobicContact CD2-CD1 4.05Å; L115-L124 HydrophobicContact CD2-CD2 4.46Å; L115-L124 HydrophobicContact CG-CD1 4.3Å; L115-L124 HydrophobicContact CG-CD2 3.99Å; L115-I132 HydrophobicContact CD2-CD1 4.19Å; L115-L160 HydrophobicContact CB-CD1 4.26Å; L115-L160 HydrophobicContact CD2-CD1 3.72Å; L115-I321 HydrophobicContact CD2-CG2 4.36Å; L115-Y324 HydrophobicContact CD1-CD1 4.1Å; L115-L325 HydrophobicContact CD1-CD2 4.12Å
116V90.6Very high87.7Confident4 Ų443.3 Ų43.32%0.02425%0.249CC..Hα-helixtrans-66.9-44.3175.1170.40000112V112 D114 C118 A119 A122 L124 M244V112-V116 VanDerWaalsContact O-CG2 3.24Å; V112-V116 WeakPolarHBondContact O-CG2 3.33Å; V112-V116 PolarHBondContact O-N 2.98Å; D114-V116 PolarHBondContact O-N 2.97Å; V116-C118 VanDerWaalsContact C-N 3.3Å; V116-C118 PolarHBondContact O-N 3.13Å; V116-A119 WeakPolarHBondContact O-CB 3.35Å; V116-A119 PolarHBondContact O-N 3.15Å; V116-A119 VanDerWaalsContact O-N 3.15Å; V116-A122 WeakPolarHBondContact O-CA 3.35Å; V116-L124 HydrophobicContact CG2-CD1 3.93Å; V116-L124 HydrophobicContact CG2-CD2 4.3Å; V116-L124 HydrophobicContact CG2-CG 3.92Å; V116-M244 HydrophobicContact CG2-CB 4.33Å; V116-M244 HydrophobicContact CG2-CG 4.08Å
117K85.5Confident87.6Confident140 Ų14045.4 Ų45.461%0.60926%0.261SS*.Hα-helixtrans-59.9-41.7173.8-68.2166.5-165.1158.70111.8T113 D114 A119T113-K117 WeakPolarHBondContact O-CG 3.27Å; T113-K117 PolarHBondContact O-N 3.32Å; T113-K117 VanDerWaalsContact O-N 3.12Å; D114-K117 PolarHBondContact O-N 3.13Å; D114-K117 VanDerWaalsContact O-N 3.15Å; D114-K117 IonicContact OD1-NZ 3.27Å; D114-K117 PolarHBondContact OD1-NZ 3.21Å; K117-A119 PolarHBondContact O-N 2.97Å
118C80.9Confident87.6Confident44 Ų4445.8 Ų45.830%0.29726%0.26SS..THydrogen-bonded Turntrans-72.8-7.5178.7-670000113.5D114 L115 V116 Y324D114-C118 WeakPolarHBondContact O-CB 3.46Å; D114-C118 PolarHBondContact O-N 3.39Å; D114-C118 PolarHBondContact O-SG 3.28Å; L115-C118 PolarHBondContact O-N 2.95Å; V116-C118 VanDerWaalsContact C-N 3.3Å; V116-C118 PolarHBondContact O-N 3.13Å; C118-Y324 WeakPolarHBondContact O-CE1 3.36Å; C118-Y324 PolarHBondContact O-OH 3.16Å
119A81.1Confident87.9Confident10 Ų1045 Ų458%0.08325%0.252CS..SBendtrans-83.1134.3179.400000111.8L115 V116 K117 G121 A122 L124 Y324L115-A119 PolarHBondContact O-N 2.78Å; L115-A119 VanDerWaalsContact O-N 3.15Å; V116-A119 WeakPolarHBondContact O-CB 3.35Å; V116-A119 PolarHBondContact O-N 3.15Å; V116-A119 VanDerWaalsContact O-N 3.15Å; K117-A119 PolarHBondContact O-N 2.97Å; A119-G121 PolarHBondContact O-N 2.96Å; A119-G121 VanDerWaalsContact O-N 3.1Å; A119-A122 PolarHBondContact O-N 2.65Å; A119-L124 HydrophobicContact CB-CD2 3.69Å; A119-Y324 WeakPolarHBondContact CA-OH 3.42Å
120K74.6Confident88.2Confident196 Ų19644.5 Ų44.585%0.85225%0.248SC*.THydrogen-bonded Turntrans-58.8117.3175-69.8-167.8175.3-170.30110.5
121G74.6Confident88.4Confident74 Ų7443.2 Ų43.276%0.76324%0.235SC*.THydrogen-bonded Turntrans75.821.8-175.100000114.5A119 S123A119-G121 PolarHBondContact O-N 2.96Å; A119-G121 VanDerWaalsContact O-N 3.1Å; G121-S123 VanDerWaalsContact C-N 3.27Å; G121-S123 PolarHBondContact O-N 3.47Å
122A77.7Confident88.6Confident40 Ų4042.9 Ų42.933%0.33123%0.232SC..SBendtrans5140.3177.400000114V116 A119 G247V116-A122 WeakPolarHBondContact O-CA 3.35Å; A119-A122 PolarHBondContact O-N 2.65Å; A122-G247 WeakPolarHBondContact O-CA 3.49Å; A122-G247 PolarHBondContact O-N 3.45Å
123S86.9Confident88.8Confident25 Ų2542.9 Ų42.918%0.17523%0.232CC..  trans-147.2125.5-171.3-171.80000111G121 A245 K276G121-S123 VanDerWaalsContact C-N 3.27Å; G121-S123 PolarHBondContact O-N 3.47Å; S123-A245 WeakPolarHBondContact CB-O 3.3Å; S123-A245 PolarHBondContact OG-O 3.05Å; S123-K276 PolarHBondContact OG-NZ 2.89Å
124L91.9Very high89Confident6 Ų643.7 Ų43.73%0.03123%0.233CC..  trans-84157.7178.5-56.4-170.9000111.9L115 V116 A119 W128 I129 I132 M244L115-L124 HydrophobicContact CD2-CD1 4.05Å; L115-L124 HydrophobicContact CD2-CD2 4.46Å; L115-L124 HydrophobicContact CG-CD1 4.3Å; L115-L124 HydrophobicContact CG-CD2 3.99Å; V116-L124 HydrophobicContact CG2-CD1 3.93Å; V116-L124 HydrophobicContact CG2-CD2 4.3Å; V116-L124 HydrophobicContact CG2-CG 3.92Å; A119-L124 HydrophobicContact CB-CD2 3.69Å; L124-W128 HydrophobicContact CD2-CE3 4.31Å; L124-I129 HydrophobicContact CB-CD1 4.36Å; L124-I129 HydrophobicContact CB-CG1 3.89Å; L124-I132 HydrophobicContact CD1-CD1 4.05Å; L124-M244 HydrophobicContact CD1-CB 4.07Å; L124-M244 HydrophobicContact CD1-CG 3.99Å; L124-M244 HydrophobicContact CD1-SD 4.02Å; L124-M244 HydrophobicContact CG-CB 4.39Å; L124-M244 PolarHBondContact N-O 2.92Å
125K91.5Very high89.3Confident123 Ų12340.9 Ų40.954%0.53522%0.219SC..  trans-63.4142168.7-73.3-172.5168.3-163.70110.3E127 W128 I129K125-E127 PolarHBondContact O-N 3.42Å; K125-W128 HydrophobicContact CB-CB 4.45Å; K125-W128 HydrophobicContact CB-CD2 4.25Å; K125-W128 HydrophobicContact CB-CG 4.03Å; K125-W128 HydrophobicContact CD-CZ2 4.45Å; K125-W128 WeakPolarHBondContact O-CA 3.46Å; K125-W128 WeakPolarHBondContact O-CB 3.29Å; K125-W128 PolarHBondContact O-N 3.16Å; K125-I129 WeakPolarHBondContact O-CG1 3.42Å; K125-I129 PolarHBondContact O-N 3.13Å
126E92.6Very high89.6Confident47 Ų4740.8 Ų40.822%0.2222%0.218CC..Hα-helixtrans-55.2-37.9178.8-169.7173.8133.900112.7W128 I129 A130 W277 S278 F281 F307E126-W128 VanDerWaalsContact C-N 3.31Å; E126-W128 PolarHBondContact O-N 3.15Å; E126-I129 PolarHBondContact O-N 2.8Å; E126-A130 WeakPolarHBondContact O-CB 3.48Å; E126-A130 PolarHBondContact O-N 3.35Å; E126-W277 HydrophobicContact CB-CE3 4.2Å; E126-W277 HydrophobicContact CB-CZ3 4.17Å; E126-W277 HydrophobicContact CG-CE3 4.42Å; E126-S278 WeakPolarHBondContact OE1-CB 3.36Å; E126-S278 PolarHBondContact OE1-OG 2.67Å; E126-S278 PolarHBondContact OE2-N 3.08Å; E126-F281 HydrophobicContact CG-CB 4.21Å; E126-F281 HydrophobicContact CG-CD1 4.12Å; E126-F281 HydrophobicContact CG-CG 4.34Å; E126-F307 HydrophobicContact CG-CE2 3.62Å; E126-F307 HydrophobicContact CG-CZ 4.3Å
127E92.6Very high89.9Confident91 Ų9140.6 Ų40.643%0.42522%0.217SC..Hα-helixtrans-57.8-38.7173-60.2164.2162.700113.3K125 Y131K125-E127 PolarHBondContact O-N 3.42Å; E127-Y131 WeakPolarHBondContact O-CB 3.43Å; E127-Y131 PolarHBondContact O-N 3.2Å
128W93.9Very high90.4Very high19 Ų1937.7 Ų37.77%0.07220%0.202CC..Hα-helixtrans-77.6-38.6-178.9-62.75.4000110.6L124 K125 E126 Y131 I132 A320 I321 Y324L124-W128 HydrophobicContact CD2-CE3 4.31Å; K125-W128 HydrophobicContact CB-CB 4.45Å; K125-W128 HydrophobicContact CB-CD2 4.25Å; K125-W128 HydrophobicContact CB-CG 4.03Å; K125-W128 HydrophobicContact CD-CZ2 4.45Å; K125-W128 WeakPolarHBondContact O-CA 3.46Å; K125-W128 WeakPolarHBondContact O-CB 3.29Å; K125-W128 PolarHBondContact O-N 3.16Å; E126-W128 VanDerWaalsContact C-N 3.31Å; E126-W128 PolarHBondContact O-N 3.15Å; W128-Y131 PolarHBondContact O-N 3.43Å; W128-I132 WeakPolarHBondContact O-CB 3.39Å; W128-I132 WeakPolarHBondContact O-CD1 3.48Å; W128-I132 VanDerWaalsContact O-CG1 3.27Å; W128-I132 WeakPolarHBondContact O-CG1 3.39Å; W128-I132 PolarHBondContact O-N 3.13Å; W128-A320 HydrophobicContact CZ2-CB 4.27Å; W128-A320 WeakPolarHBondContact CZ2-O 3.5Å; W128-I321 HydrophobicContact CB-CD1 4.14Å; W128-I321 HydrophobicContact CB-CG1 4.39Å; W128-I321 HydrophobicContact CD2-CD1 4.3Å; W128-I321 HydrophobicContact CD2-CG1 3.58Å; W128-I321 HydrophobicContact CE3-CG1 4.02Å; W128-I321 HydrophobicContact CG-CD1 3.99Å; W128-I321 HydrophobicContact CG-CG1 3.76Å; W128-I321 HydrophobicContact CZ2-CG1 4.31Å; W128-Y324 HydrophobicContact CH2-CD1 4.35Å; W128-Y324 AromaticContact CH2-CD2 3.86Å; W128-Y324 HydrophobicContact CH2-CD2 3.86Å; W128-Y324 AromaticContact CH2-CG 3.68Å; W128-Y324 HydrophobicContact CH2-CG 3.68Å; W128-Y324 HydrophobicContact CZ3-CD1 4.32Å; W128-Y324 HydrophobicContact CZ3-CD2 4.47Å; W128-Y324 HydrophobicContact CZ3-CG 4.1Å
129I95Very high91.1Very high0 Ų035.6 Ų35.60%019%0.188CC..Hα-helixtrans-58.5-52.9172.1-59.9177.6000109.1L124 K125 E126 Y131 I132 C133 M244 A245 W277 F281 F307L124-I129 HydrophobicContact CB-CD1 4.36Å; L124-I129 HydrophobicContact CB-CG1 3.89Å; K125-I129 WeakPolarHBondContact O-CG1 3.42Å; K125-I129 PolarHBondContact O-N 3.13Å; E126-I129 PolarHBondContact O-N 2.8Å; I129-Y131 VanDerWaalsContact C-N 3.34Å; I129-Y131 PolarHBondContact O-N 3.03Å; I129-I132 PolarHBondContact O-N 3.23Å; I129-C133 WeakPolarHBondContact O-CB 3.5Å; I129-C133 PolarHBondContact O-N 3.38Å; I129-C133 PolarHBondContact O-SG 2.94Å; I129-M244 HydrophobicContact CD1-CB 4.18Å; I129-M244 HydrophobicContact CG1-CB 3.88Å; I129-M244 HydrophobicContact CG2-CE 4.09Å; I129-A245 HydrophobicContact CD1-CB 3.99Å; I129-W277 HydrophobicContact CD1-CH2 4.13Å; I129-W277 HydrophobicContact CD1-CZ3 4.09Å; I129-F281 HydrophobicContact CD1-CE1 4.03Å; I129-F281 HydrophobicContact CD1-CZ 4.13Å; I129-F281 HydrophobicContact CG2-CE2 3.98Å; I129-F281 HydrophobicContact CG2-CZ 3.82Å; I129-F307 HydrophobicContact CB-CZ 4.38Å; I129-F307 HydrophobicContact CG2-CE1 4.37Å; I129-F307 HydrophobicContact CG2-CZ 4.02Å
130A95.3Very high91.7Very high4 Ų435.1 Ų35.13%0.03318%0.184CC..Hα-helixtrans-57.5-42.9178.200000112.7E126 R134 F307 L311E126-A130 WeakPolarHBondContact O-CB 3.48Å; E126-A130 PolarHBondContact O-N 3.35Å; A130-R134 WeakPolarHBondContact O-CB 3.24Å; A130-R134 PolarHBondContact O-N 3.24Å; A130-F307 HydrophobicContact CB-CD1 4.27Å; A130-F307 HydrophobicContact CB-CD2 4.3Å; A130-F307 HydrophobicContact CB-CE1 3.87Å; A130-F307 HydrophobicContact CB-CE2 3.89Å; A130-F307 HydrophobicContact CB-CG 4.47Å; A130-F307 HydrophobicContact CB-CZ 3.67Å; A130-F307 WeakPolarHBondContact CB-O 3.48Å; A130-L311 HydrophobicContact CB-CD1 4.37Å; A130-L311 HydrophobicContact CB-CD2 3.63Å; A130-L311 HydrophobicContact CB-CG 4.11Å
131Y95.8Very high92.6Very high1 Ų126.7 Ų26.70%0.00415%0.151CC..Hα-helixtrans-60.3-54.1173.8172.8-113.2000111.9E127 W128 I129 C133 R134 E135 A164 V166 E314 V317 R318 I321E127-Y131 WeakPolarHBondContact O-CB 3.43Å; E127-Y131 PolarHBondContact O-N 3.2Å; W128-Y131 PolarHBondContact O-N 3.43Å; I129-Y131 VanDerWaalsContact C-N 3.34Å; I129-Y131 PolarHBondContact O-N 3.03Å; Y131-C133 VanDerWaalsContact C-N 3.33Å; Y131-C133 PolarHBondContact O-N 2.75Å; Y131-R134 WeakPolarHBondContact O-CB 3.42Å; Y131-R134 PolarHBondContact O-N 3.34Å; Y131-R134 VanDerWaalsContact O-N 3.13Å; Y131-E135 HydrophobicContact CD2-CG 4.04Å; Y131-E135 HydrophobicContact CE1-CG 4.24Å; Y131-E135 HydrophobicContact CE2-CG 3.49Å; Y131-E135 VanDerWaalsContact CE2-CG 3.49Å; Y131-E135 WeakPolarHBondContact O-CG 2.93Å; Y131-E135 PolarHBondContact O-N 3.44Å; Y131-A164 PolarHBondContact OH-O 2.9Å; Y131-V166 HydrophobicContact CD1-CG2 4.48Å; Y131-V166 HydrophobicContact CE1-CG2 3.9Å; Y131-E314 HydrophobicContact CE2-CG 3.81Å; Y131-V317 HydrophobicContact CD1-CG1 4.16Å; Y131-V317 HydrophobicContact CG-CB 4.49Å; Y131-V317 HydrophobicContact CG-CG1 3.95Å; Y131-R318 HydrophobicContact CE1-CG 4Å; Y131-R318 HydrophobicContact CE2-CG 4.27Å; Y131-R318 WeakPolarHBondContact OH-CD 3.35Å; Y131-R318 WeakPolarHBondContact OH-CG 3.35Å; Y131-I321 HydrophobicContact CD1-CD1 3.75Å; Y131-I321 HydrophobicContact CE1-CD1 4.25Å
132I96.3Very high93.5Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-59.8-44.4-178.8-67.4163.7000110.7V112 L115 L124 W128 I129 R134 E135 I136 V158 V166 M244V112-I132 HydrophobicContact CG1-CD1 4.49Å; V112-I132 HydrophobicContact CG1-CG2 4.46Å; V112-I132 HydrophobicContact CG2-CD1 4.23Å; V112-I132 HydrophobicContact CG2-CG2 3.9Å; L115-I132 HydrophobicContact CD2-CD1 4.19Å; L124-I132 HydrophobicContact CD1-CD1 4.05Å; W128-I132 WeakPolarHBondContact O-CB 3.39Å; W128-I132 WeakPolarHBondContact O-CD1 3.48Å; W128-I132 VanDerWaalsContact O-CG1 3.27Å; W128-I132 WeakPolarHBondContact O-CG1 3.39Å; W128-I132 PolarHBondContact O-N 3.13Å; I129-I132 PolarHBondContact O-N 3.23Å; I132-R134 PolarHBondContact O-N 2.73Å; I132-E135 PolarHBondContact O-N 2.9Å; I132-I136 HydrophobicContact CG2-CD1 3.8Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 VanDerWaalsContact O-CG1 3.3Å; I132-I136 WeakPolarHBondContact O-CG1 3.5Å; I132-I136 PolarHBondContact O-N 2.68Å; I132-V158 HydrophobicContact CG2-CG1 4.28Å; I132-V166 HydrophobicContact CB-CG2 4.49Å; I132-V166 HydrophobicContact CG1-CG2 3.99Å; I132-V166 HydrophobicContact CG2-CG1 4.36Å; I132-M244 HydrophobicContact CB-CE 4.17Å; I132-M244 HydrophobicContact CB-SD 3.9Å; I132-M244 HydrophobicContact CD1-SD 3.74Å; I132-M244 HydrophobicContact CG1-SD 4.43Å; I132-M244 HydrophobicContact CG2-CE 3.8Å; I132-M244 HydrophobicContact CG2-SD 3.66Å
133C96.9Very high94Very high0 Ų023.7 Ų23.70%011%0.11CC..Hα-helixtrans-61-40.3176.2-65.90000112.5I129 Y131 I136 L137 L237 S241 M244 F284 I308I129-C133 WeakPolarHBondContact O-CB 3.5Å; I129-C133 PolarHBondContact O-N 3.38Å; I129-C133 PolarHBondContact O-SG 2.94Å; Y131-C133 VanDerWaalsContact C-N 3.33Å; Y131-C133 PolarHBondContact O-N 2.75Å; C133-I136 PolarHBondContact O-N 3.16Å; C133-L137 WeakPolarHBondContact O-CB 3.42Å; C133-L137 VanDerWaalsContact O-CG 3.24Å; C133-L137 WeakPolarHBondContact O-CG 3.44Å; C133-L137 PolarHBondContact O-N 2.91Å; C133-L237 HydrophobicContact CB-CD1 4.09Å; C133-S241 PolarHBondContact SG-OG 2.91Å; C133-M244 VanDerWaalsContact SG-CE 3.55Å; C133-F284 HydrophobicContact CB-CE1 4.31Å; C133-F284 HydrophobicContact CB-CZ 4.27Å; C133-I308 HydrophobicContact CB-CD1 3.67Å
134R95.8Very high94Very high31 Ų3123.3 Ų23.312%0.11711%0.105CC..Hα-helixtrans-62.9-42.7175.3-171.8-172.367.6-174.25.6111.9A130 Y131 I132 L137 R138 L303 I308 L311 E314A130-R134 WeakPolarHBondContact O-CB 3.24Å; A130-R134 PolarHBondContact O-N 3.24Å; Y131-R134 WeakPolarHBondContact O-CB 3.42Å; Y131-R134 PolarHBondContact O-N 3.34Å; Y131-R134 VanDerWaalsContact O-N 3.13Å; I132-R134 PolarHBondContact O-N 2.73Å; R134-L137 PolarHBondContact O-N 3.38Å; R134-R138 WeakPolarHBondContact O-CG 3.5Å; R134-R138 PolarHBondContact O-N 2.95Å; R134-L303 HydrophobicContact CG-CD2 4.37Å; R134-I308 HydrophobicContact CB-CG2 3.77Å; R134-I308 HydrophobicContact CG-CG2 3.65Å; R134-L311 HydrophobicContact CB-CD1 4.27Å; R134-E314 IonicContact CZ-OE2 3.64Å; R134-E314 VanDerWaalsContact NH2-CD 3.32Å; R134-E314 IonicContact NH2-OE2 3.37Å; R134-E314 PolarHBondContact NH2-OE2 2.99Å
135E96.2Very high93.7Very high1 Ų126.4 Ų26.41%0.00513%0.132CC..Hα-helixtrans-70-37.3179.9-61.8-45.2104.100112.4R77 N78 Y131 I132 R138 G139 V166R77-E135 IonicContact CZ-OE2 2.85Å; R77-E135 IonicContact NH1-OE2 3.67Å; R77-E135 PolarHBondContact NH1-OE2 3Å; R77-E135 IonicContact NH2-OE2 3.67Å; N78-E135 WeakPolarHBondContact CB-O 3.37Å; N78-E135 WeakPolarHBondContact ND2-CB 3.39Å; N78-E135 PolarHBondContact ND2-OE2 3.06Å; Y131-E135 HydrophobicContact CD2-CG 4.04Å; Y131-E135 HydrophobicContact CE1-CG 4.24Å; Y131-E135 HydrophobicContact CE2-CG 3.49Å; Y131-E135 VanDerWaalsContact CE2-CG 3.49Å; Y131-E135 WeakPolarHBondContact O-CG 2.93Å; Y131-E135 PolarHBondContact O-N 3.44Å; I132-E135 PolarHBondContact O-N 2.9Å; E135-R138 PolarHBondContact O-N 3.41Å; E135-R138 IonicContact OE1-CZ 3.95Å; E135-R138 IonicContact OE1-NE 3.59Å; E135-R138 IonicContact OE1-NH1 2.67Å; E135-R138 PolarHBondContact OE1-NH1 2.65Å; E135-R138 IonicContact OE2-NH1 2.95Å; E135-R138 PolarHBondContact OE2-NH1 3.3Å; E135-G139 PolarHBondContact O-N 2.81Å; E135-V166 HydrophobicContact CB-CB 3.52Å; E135-V166 HydrophobicContact CB-CG1 3.76Å; E135-V166 HydrophobicContact CB-CG2 4.11Å; E135-V166 HydrophobicContact CG-CB 3.97Å; E135-V166 HydrophobicContact CG-CG2 4.16Å
136I97.1Very high93.2Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-60.7-47.5169.4-64.4161.8000110I132 C133 R138 G139 L140 I153 V158 V166 L168 L237I132-I136 HydrophobicContact CG2-CD1 3.8Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 VanDerWaalsContact O-CG1 3.3Å; I132-I136 WeakPolarHBondContact O-CG1 3.5Å; I132-I136 PolarHBondContact O-N 2.68Å; C133-I136 PolarHBondContact O-N 3.16Å; I136-R138 VanDerWaalsContact C-N 3.3Å; I136-R138 PolarHBondContact O-N 3.12Å; I136-G139 PolarHBondContact O-N 3.06Å; I136-G139 VanDerWaalsContact O-N 3.12Å; I136-L140 HydrophobicContact CG2-CD1 3.84Å; I136-L140 HydrophobicContact CG2-CG 4.15Å; I136-L140 WeakPolarHBondContact O-CG 3.36Å; I136-L140 PolarHBondContact O-N 2.92Å; I136-I153 HydrophobicContact CG2-CD1 4.31Å; I136-V158 HydrophobicContact CD1-CG1 4.02Å; I136-V158 HydrophobicContact CD1-CG2 3.81Å; I136-V158 HydrophobicContact CG1-CG1 3.88Å; I136-V158 HydrophobicContact CG1-CG2 3.95Å; I136-V166 HydrophobicContact CG1-CG1 4.32Å; I136-L168 HydrophobicContact CG1-CD2 4.21Å; I136-L168 HydrophobicContact CG2-CD2 4.24Å; I136-L237 HydrophobicContact CB-CD1 4.07Å; I136-L237 HydrophobicContact CD1-CD1 3.81Å; I136-L237 HydrophobicContact CG2-CD1 3.91Å
137L96.9Very high92.5Very high0 Ų030.1 Ų30.10%015%0.15CC..Hα-helixtrans-59.6-38.2177-74.7167.8000112.4C133 R134 L140 A141 L234 L237 F284 T299 L302 L303 I308C133-L137 WeakPolarHBondContact O-CB 3.42Å; C133-L137 VanDerWaalsContact O-CG 3.24Å; C133-L137 WeakPolarHBondContact O-CG 3.44Å; C133-L137 PolarHBondContact O-N 2.91Å; R134-L137 PolarHBondContact O-N 3.38Å; L137-L140 PolarHBondContact O-N 3.21Å; L137-A141 VanDerWaalsContact O-CB 3.29Å; L137-A141 WeakPolarHBondContact O-CB 3.39Å; L137-A141 PolarHBondContact O-N 3.24Å; L137-L234 HydrophobicContact CD2-CD2 3.95Å; L137-L237 HydrophobicContact CD1-CD2 4.27Å; L137-L237 HydrophobicContact CD2-CD2 3.4Å; L137-L237 VanDerWaalsContact CD2-CD2 3.4Å; L137-L237 HydrophobicContact CG-CD2 3.56Å; L137-F284 HydrophobicContact CD1-CE2 4.35Å; L137-F284 HydrophobicContact CD1-CZ 4.43Å; L137-T299 HydrophobicContact CB-CG2 4.19Å; L137-T299 HydrophobicContact CD2-CG2 3.64Å; L137-T299 WeakPolarHBondContact O-CG2 3.39Å; L137-L302 HydrophobicContact CD1-CB 3.97Å; L137-L302 HydrophobicContact CD2-CB 3.79Å; L137-L302 HydrophobicContact CD2-CD1 3.9Å; L137-L303 HydrophobicContact CB-CD2 3.55Å; L137-L303 HydrophobicContact CB-CG 3.98Å; L137-L303 HydrophobicContact CD1-CD2 4.38Å; L137-I308 HydrophobicContact CD1-CD1 4.04Å; L137-I308 HydrophobicContact CD1-CG1 3.9Å; L137-I308 HydrophobicContact CD1-CG2 4.03Å
138R95.9Very high91.7Very high80 Ų8026.6 Ų26.630%0.30214%0.135SC..Hα-helixtrans-61.9-45173-75166.4162.8-176.6-11.1111.6H76 N78 R134 E135 I136 H142 L303 E314H76-R138 PolarHBondContact CE1-O 2.74Å; N78-R138 WeakPolarHBondContact OD1-CB 3.34Å; R134-R138 WeakPolarHBondContact O-CG 3.5Å; R134-R138 PolarHBondContact O-N 2.95Å; E135-R138 PolarHBondContact O-N 3.41Å; E135-R138 IonicContact OE1-CZ 3.95Å; E135-R138 IonicContact OE1-NE 3.59Å; E135-R138 IonicContact OE1-NH1 2.67Å; E135-R138 PolarHBondContact OE1-NH1 2.65Å; E135-R138 IonicContact OE2-NH1 2.95Å; E135-R138 PolarHBondContact OE2-NH1 3.3Å; I136-R138 VanDerWaalsContact C-N 3.3Å; I136-R138 PolarHBondContact O-N 3.12Å; R138-H142 PolarHBondContact O-N 3.01Å; R138-L303 HydrophobicContact CG-CD2 4.22Å; R138-E314 IonicContact CZ-OE2 2.73Å; R138-E314 IonicContact NH1-OE2 3.27Å; R138-E314 PolarHBondContact NH1-OE2 3.29Å
139G94.8Very high91Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-63-45.217500000113.1E135 I136 H142 L143E135-G139 PolarHBondContact O-N 2.81Å; I136-G139 PolarHBondContact O-N 3.06Å; I136-G139 VanDerWaalsContact O-N 3.12Å; G139-H142 PolarHBondContact O-N 2.67Å; G139-L143 WeakPolarHBondContact O-CG 3.43Å; G139-L143 PolarHBondContact O-N 2.57Å
140L93.8Very high90.5Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-65.6-38.8176.9-70.8179000112.5I136 L137 H142 L143 H144 H150 I153 L168 D233 L234 T299I136-L140 HydrophobicContact CG2-CD1 3.84Å; I136-L140 HydrophobicContact CG2-CG 4.15Å; I136-L140 WeakPolarHBondContact O-CG 3.36Å; I136-L140 PolarHBondContact O-N 2.92Å; L137-L140 PolarHBondContact O-N 3.21Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 3.14Å; L140-L143 HydrophobicContact CD2-CD1 4.49Å; L140-L143 PolarHBondContact O-N 3.33Å; L140-H144 VanDerWaalsContact O-CB 3.26Å; L140-H144 WeakPolarHBondContact O-CB 3.25Å; L140-H144 PolarHBondContact O-CD2 2.82Å; L140-H144 VanDerWaalsContact O-CD2 3.31Å; L140-H144 PolarHBondContact O-N 3.32Å; L140-H150 HydrophobicContact CD2-CB 4.05Å; L140-I153 HydrophobicContact CD1-CG1 4.5Å; L140-I153 HydrophobicContact CD2-CD1 3.98Å; L140-I153 HydrophobicContact CD2-CG1 4.12Å; L140-I153 HydrophobicContact CG-CD1 4.47Å; L140-L168 HydrophobicContact CD2-CD1 4.39Å; L140-L168 HydrophobicContact CG-CD1 4.4Å; L140-D233 HydrophobicContact CD1-CB 3.85Å; L140-D233 HydrophobicContact CD2-CB 3.73Å; L140-D233 HydrophobicContact CG-CB 4.44Å; L140-L234 HydrophobicContact CD1-CD2 3.91Å; L140-T299 HydrophobicContact CB-CG2 4.09Å
141A93.5Very high89.6Confident18 Ų1829.2 Ų29.215%0.14915%0.145CC..Hα-helixtrans-60-43.1178.300000111.5L137 A145 T299 L303L137-A141 VanDerWaalsContact O-CB 3.29Å; L137-A141 WeakPolarHBondContact O-CB 3.39Å; L137-A141 PolarHBondContact O-N 3.24Å; A141-A145 VanDerWaalsContact O-CB 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 3.42Å; A141-T299 HydrophobicContact CB-CG2 3.91Å; A141-L303 HydrophobicContact CB-CD1 4.12Å
142H92.5Very high88.8Confident51 Ų5130.5 Ų30.524%0.23615%0.152CC..Hα-helixtrans-61.5-45.7173.4171.683000112.6Y73 H76 R138 G139 L140 N146Y73-H142 PolarHBondContact O-NE2 2.79Å; H76-H142 HydrophobicContact CB-CB 4.26Å; H76-H142 AromaticContact CG-CG 3.77Å; R138-H142 PolarHBondContact O-N 3.01Å; G139-H142 PolarHBondContact O-N 2.67Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 3.14Å; H142-N146 PolarHBondContact O-N 3.2Å; H142-N146 PolarHBondContact O-ND2 3.42Å
143L89.1Confident88.6Confident0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-63.9-47.8177.3-68.6176.3000111.9I79 G139 L140 A145 N146 K147 V148 H150 F171I79-L143 HydrophobicContact CD1-CD1 4.33Å; I79-L143 HydrophobicContact CD1-CD2 3.81Å; I79-L143 HydrophobicContact CD1-CG 3.92Å; G139-L143 WeakPolarHBondContact O-CG 3.43Å; G139-L143 PolarHBondContact O-N 2.57Å; L140-L143 HydrophobicContact CD2-CD1 4.49Å; L140-L143 PolarHBondContact O-N 3.33Å; L143-A145 PolarHBondContact O-N 3.39Å; L143-N146 CarbonylContact O-C 3.49Å; L143-N146 VanDerWaalsContact O-C 3.32Å; L143-N146 WeakPolarHBondContact O-CA 3.42Å; L143-N146 PolarHBondContact O-N 2.89Å; L143-N146 VanDerWaalsContact O-N 3.1Å; L143-K147 PolarHBondContact O-N 2.93Å; L143-K147 VanDerWaalsContact O-N 3.12Å; L143-V148 CarbonylContact C-O 3.46Å; L143-V148 VanDerWaalsContact C-O 3.28Å; L143-V148 HydrophobicContact CB-CB 4.18Å; L143-V148 HydrophobicContact CD2-CB 4.08Å; L143-V148 HydrophobicContact CD2-CG1 4.01Å; L143-V148 PolarHBondContact O-N 3.32Å; L143-H150 HydrophobicContact CD1-CB 4.26Å; L143-F171 HydrophobicContact CD1-CB 4.18Å; L143-F171 HydrophobicContact CD1-CD2 4.22Å; L143-F171 HydrophobicContact CD1-CG 4.29Å; L143-F171 HydrophobicContact CD2-CD2 3.58Å; L143-F171 HydrophobicContact CD2-CE2 3.72Å; L143-F171 HydrophobicContact CD2-CG 4.37Å
144H86.8Confident88.2Confident17 Ų1731.2 Ų31.28%0.07916%0.156CC..Hα-helixtrans-67.7-36.1-176-62.1177.1000112.4L140 N146 K147 V148 S230 D233 L234 T299L140-H144 VanDerWaalsContact O-CB 3.26Å; L140-H144 WeakPolarHBondContact O-CB 3.25Å; L140-H144 PolarHBondContact O-CD2 2.82Å; L140-H144 VanDerWaalsContact O-CD2 3.31Å; L140-H144 PolarHBondContact O-N 3.32Å; H144-N146 VanDerWaalsContact C-N 3.29Å; H144-N146 PolarHBondContact O-N 2.76Å; H144-K147 PolarHBondContact O-N 3.17Å; H144-K147 VanDerWaalsContact O-N 3.11Å; H144-V148 PolarHBondContact CD2-O 2.87Å; H144-S230 PolarHBondContact CE1-O 3.05Å; H144-S230 PolarHBondContact NE2-O 2.9Å; H144-D233 IonicContact CD2-OD2 2.75Å; H144-D233 WeakPolarHBondContact NE2-CB 3.28Å; H144-D233 IonicContact NE2-OD2 2.68Å; H144-D233 PolarHBondContact NE2-OD2 2.89Å; H144-L234 WeakPolarHBondContact CE1-CD2 3.39Å; H144-L234 WeakPolarHBondContact CE1-CG 3.32Å; H144-T299 PolarHBondContact ND1-OG1 3.04Å
145A85.9Confident87.9Confident72 Ų7229.8 Ų29.860%0.59515%0.15SC*.Hα-helixtrans-58.9-42.7170.400000111.4A141 L143 K147A141-A145 VanDerWaalsContact O-CB 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 3.42Å; L143-A145 PolarHBondContact O-N 3.39Å; A145-K147 PolarHBondContact O-N 2.98Å
146N81.4Confident87.5Confident64 Ų6432.8 Ų32.834%0.34216%0.164SC..THydrogen-bonded Turntrans-81.510.7176.1-71.9-75.5000114.3Y73 H142 L143 H144 V148Y73-N146 HydrophobicContact CD1-CB 3.78Å; Y73-N146 HydrophobicContact CE1-CB 3.53Å; Y73-N146 WeakPolarHBondContact CE1-OD1 3.4Å; H142-N146 PolarHBondContact O-N 3.2Å; H142-N146 PolarHBondContact O-ND2 3.42Å; L143-N146 CarbonylContact O-C 3.49Å; L143-N146 VanDerWaalsContact O-C 3.32Å; L143-N146 WeakPolarHBondContact O-CA 3.42Å; L143-N146 PolarHBondContact O-N 2.89Å; L143-N146 VanDerWaalsContact O-N 3.1Å; H144-N146 VanDerWaalsContact C-N 3.29Å; H144-N146 PolarHBondContact O-N 2.76Å; N146-V148 PolarHBondContact O-N 2.83Å
147K77.6Confident87.2Confident184 Ų18433.2 Ų33.280%0.817%0.167SC*.THydrogen-bonded Turntrans60.520.7-179.3-48.7-56177.6-171.60115.2L143 H144 A145L143-K147 PolarHBondContact O-N 2.93Å; L143-K147 VanDerWaalsContact O-N 3.12Å; H144-K147 PolarHBondContact O-N 3.17Å; H144-K147 VanDerWaalsContact O-N 3.11Å; A145-K147 PolarHBondContact O-N 2.98Å
148V76.2Confident87.1Confident16 Ų1633.2 Ų33.210%0.09717%0.167CC..  trans-90.7138.5170.9-174.90000109.2V69 Y73 L143 H144 N146 F171V69-V148 HydrophobicContact CG1-CG1 4.4Å; Y73-V148 HydrophobicContact CD2-CG2 3.75Å; Y73-V148 HydrophobicContact CE2-CG2 3.68Å; Y73-V148 HydrophobicContact CG-CG2 4.4Å; L143-V148 CarbonylContact C-O 3.46Å; L143-V148 VanDerWaalsContact C-O 3.28Å; L143-V148 HydrophobicContact CB-CB 4.18Å; L143-V148 HydrophobicContact CD2-CB 4.08Å; L143-V148 HydrophobicContact CD2-CG1 4.01Å; L143-V148 PolarHBondContact O-N 3.32Å; H144-V148 PolarHBondContact CD2-O 2.87Å; N146-V148 PolarHBondContact O-N 2.83Å; V148-F171 HydrophobicContact CG1-CD2 4.27Å
149I79.2Confident87.1Confident24 Ų2431.3 Ų31.312%0.12316%0.162CC..  trans-115.6135.1174.2-53.1174.7000107.1R151 G172 Y228 D233I149-R151 HydrophobicContact CB-CG 4.25Å; I149-R151 HydrophobicContact CG2-CG 3.85Å; I149-G172 WeakPolarHBondContact O-CA 3.29Å; I149-Y228 WeakPolarHBondContact CD1-O 3.49Å; I149-D233 WeakPolarHBondContact CG2-OD2 3.44Å
150H83.5Confident87.1Confident0 Ų031.3 Ų31.30%016%0.162CC..  trans-79.2-36.1-173.9-169-35.8000112.8L140 L143 D152 I153 V169 D170 F171 D233L140-H150 HydrophobicContact CD2-CB 4.05Å; L143-H150 HydrophobicContact CD1-CB 4.26Å; H150-D152 PolarHBondContact O-N 2.88Å; H150-I153 HydrophobicContact CB-CD1 4.23Å; H150-I153 HydrophobicContact CB-CG1 4.05Å; H150-I153 WeakPolarHBondContact CD2-CD1 2.96Å; H150-V169 PolarHBondContact CE1-O 3.15Å; H150-V169 PolarHBondContact NE2-O 3.32Å; H150-D170 PolarHBondContact CE1-O 2.83Å; H150-D170 VanDerWaalsContact CE1-O 3.25Å; H150-D170 PolarHBondContact ND1-O 2.92Å; H150-F171 HydrophobicContact CB-CB 4.32Å; H150-D233 PolarHBondContact N-OD1 2.84Å; H150-D233 PolarHBondContact N-OD2 2.7Å
151R76.4Confident87.1Confident54 Ų5431.9 Ų31.920%0.20417%0.166CC..  trans66.5-19.7174.2-52.3-177.1-171.1143.610.8117.7I149 A175 D233I149-R151 HydrophobicContact CB-CG 4.25Å; I149-R151 HydrophobicContact CG2-CG 3.85Å; R151-A175 HydrophobicContact CB-CB 3.96Å; R151-A175 PolarHBondContact NH1-O 3.49Å; R151-A175 VanDerWaalsContact NH1-O 3.12Å; R151-D233 PolarHBondContact N-OD1 2.81Å
152D80.4Confident86.9Confident28 Ų2834.1 Ų34.115%0.1518%0.175CC..  trans-130.348179.1-162.958.6000111.7H150 K154 N157 T190H150-D152 PolarHBondContact O-N 2.88Å; D152-K154 PolarHBondContact O-N 2.93Å; D152-K154 WeakPolarHBondContact OD2-CE 3.47Å; D152-K154 IonicContact OD2-NZ 2.67Å; D152-K154 PolarHBondContact OD2-NZ 2.97Å; D152-N157 PolarHBondContact O-ND2 2.98Å; D152-N157 PolarHBondContact OD2-ND2 2.96Å; D152-T190 VanDerWaalsContact CG-OG1 3.31Å; D152-T190 PolarHBondContact OD1-N 3.02Å; D152-T190 PolarHBondContact OD1-OG1 2.99Å; D152-T190 PolarHBondContact OD2-OG1 3.21Å
153I90.3Very high86.9Confident3 Ų336.1 Ų36.12%0.01519%0.188CC..  trans-70.4116.8172.5-71.3-71000110I136 L140 H150 L168 D233 L237I136-I153 HydrophobicContact CG2-CD1 4.31Å; L140-I153 HydrophobicContact CD1-CG1 4.5Å; L140-I153 HydrophobicContact CD2-CD1 3.98Å; L140-I153 HydrophobicContact CD2-CG1 4.12Å; L140-I153 HydrophobicContact CG-CD1 4.47Å; H150-I153 HydrophobicContact CB-CD1 4.23Å; H150-I153 HydrophobicContact CB-CG1 4.05Å; H150-I153 WeakPolarHBondContact CD2-CD1 2.96Å; I153-L168 HydrophobicContact CD1-CD1 4.37Å; I153-L168 HydrophobicContact CD1-CD2 3.9Å; I153-D233 HydrophobicContact CG1-CB 4.15Å; I153-L237 HydrophobicContact CG2-CB 4.31Å
154K88.5Confident87Confident13 Ų1336.1 Ų36.16%0.05719%0.188CC..SBendtrans-157.416018059.4179.8177171.60109.1D152 Q156 N157 T190 R212 T240D152-K154 PolarHBondContact O-N 2.93Å; D152-K154 WeakPolarHBondContact OD2-CE 3.47Å; D152-K154 IonicContact OD2-NZ 2.67Å; D152-K154 PolarHBondContact OD2-NZ 2.97Å; K154-Q156 HydrophobicContact CD-CB 4.08Å; K154-Q156 HydrophobicContact CG-CB 4.15Å; K154-Q156 VanDerWaalsContact NZ-OE1 3.1Å; K154-Q156 PolarHBondContact O-N 3.39Å; K154-N157 VanDerWaalsContact CE-ND2 3.27Å; K154-N157 WeakPolarHBondContact CE-ND2 3.38Å; K154-N157 WeakPolarHBondContact CE-OD1 3.43Å; K154-N157 HydrophobicContact CG-CB 4.19Å; K154-N157 PolarHBondContact NZ-OD1 3.46Å; K154-N157 PolarHBondContact O-N 2.92Å; K154-T190 PolarHBondContact NZ-OG1 3.34Å; K154-R212 VanDerWaalsContact CB-CD 3.42Å; K154-T240 WeakPolarHBondContact CA-OG1 3.48Å
155G90.1Very high87.4Confident0 Ų037.9 Ų37.90%020%0.196CC..THydrogen-bonded Turntrans-57.3-17179.900000115.8S111 V112 T113 E243S111-G155 WeakPolarHBondContact CB-O 3.24Å; V112-G155 WeakPolarHBondContact CA-O 3.5Å; V112-G155 WeakPolarHBondContact CB-O 3.35Å; V112-G155 PolarHBondContact N-O 3.05Å; T113-G155 PolarHBondContact N-O 2.77Å; T113-G155 VanDerWaalsContact OG1-CA 3.25Å; T113-G155 WeakPolarHBondContact OG1-CA 3.39Å; T113-G155 PolarHBondContact OG1-O 2.75Å; G155-E243 PolarHBondContact N-OE2 3.32Å
156Q87.7Confident87.9Confident64 Ų6434.5 Ų34.530%0.29917%0.168SC..THydrogen-bonded Turntrans-80.9-34.7175.3-65.2173.2-5.300113.8T113 K154 V158 L159 Y192T113-Q156 HydrophobicContact CG2-CG 4.34Å; T113-Q156 PolarHBondContact OG1-N 3.24Å; K154-Q156 HydrophobicContact CD-CB 4.08Å; K154-Q156 HydrophobicContact CG-CB 4.15Å; K154-Q156 VanDerWaalsContact NZ-OE1 3.1Å; K154-Q156 PolarHBondContact O-N 3.39Å; Q156-V158 PolarHBondContact O-N 2.85Å; Q156-L159 WeakPolarHBondContact O-CD2 3.41Å; Q156-Y192 VanDerWaalsContact OE1-CE1 3.29Å; Q156-Y192 PolarHBondContact OE1-OH 2.78Å
157N91.5Very high88.6Confident10 Ų1031.8 Ų31.85%0.05315%0.153CC..SBendtrans-898179.9-69.24.2000112.1D152 K154 L168 V169D152-N157 PolarHBondContact O-ND2 2.98Å; D152-N157 PolarHBondContact OD2-ND2 2.96Å; K154-N157 VanDerWaalsContact CE-ND2 3.27Å; K154-N157 WeakPolarHBondContact CE-ND2 3.38Å; K154-N157 WeakPolarHBondContact CE-OD1 3.43Å; K154-N157 HydrophobicContact CG-CB 4.19Å; K154-N157 PolarHBondContact NZ-OD1 3.46Å; K154-N157 PolarHBondContact O-N 2.92Å; N157-L168 WeakPolarHBondContact O-CA 3.49Å; N157-V169 HydrophobicContact CB-CG2 4.11Å; N157-V169 WeakPolarHBondContact O-CG2 3.21Å; N157-V169 PolarHBondContact O-N 3.19Å; N157-V169 VanDerWaalsContact O-N 3.1Å
158V95.1Very high89.4Confident0 Ų023.1 Ų23.10%012%0.115CC..EExtended strand (participates in β ladder)trans-112105.3172.2-1750000106.5S111 V112 I132 I136 Q156 V166 L168S111-V158 CarbonylContact C-O 3.17Å; S111-V158 WeakPolarHBondContact CA-O 3.37Å; V112-V158 HydrophobicContact CB-CB 4.3Å; V112-V158 HydrophobicContact CB-CG1 4.44Å; V112-V158 HydrophobicContact CG2-CB 3.94Å; V112-V158 HydrophobicContact CG2-CG1 3.57Å; V112-V158 PolarHBondContact N-O 3.12Å; I132-V158 HydrophobicContact CG2-CG1 4.28Å; I136-V158 HydrophobicContact CD1-CG1 4.02Å; I136-V158 HydrophobicContact CD1-CG2 3.81Å; I136-V158 HydrophobicContact CG1-CG1 3.88Å; I136-V158 HydrophobicContact CG1-CG2 3.95Å; Q156-V158 PolarHBondContact O-N 2.85Å; V158-V166 HydrophobicContact CG1-CG1 3.45Å; V158-V166 VanDerWaalsContact CG1-CG1 3.45Å; V158-L168 HydrophobicContact CG2-CD2 3.89Å
159L95.2Very high90.1Very high39 Ų3923 Ų2320%0.20412%0.115CC..EExtended strand (participates in β ladder)trans-102.5161.1-177.3-54.1-172.4000111.9C107 G110 Q156 V166 K167 V169C107-L159 HydrophobicContact CB-CB 3.49Å; C107-L159 VanDerWaalsContact CB-CB 3.49Å; C107-L159 HydrophobicContact CB-CD1 3.86Å; C107-L159 HydrophobicContact CB-CG 4.34Å; G110-L159 WeakPolarHBondContact O-CA 3.49Å; Q156-L159 WeakPolarHBondContact O-CD2 3.41Å; L159-V166 WeakPolarHBondContact O-CA 2.88Å; L159-K167 PolarHBondContact N-O 3.04Å; L159-K167 PolarHBondContact O-N 2.83Å; L159-V169 HydrophobicContact CD1-CG1 3.68Å; L159-V169 HydrophobicContact CD1-CG2 4.11Å; L159-V169 HydrophobicContact CG-CG1 4.12Å; L159-V169 HydrophobicContact CG-CG2 4.04Å
160L94.9Very high90.1Very high0 Ų024.2 Ų24.20%012%0.121CC..EExtended strand (participates in β ladder)trans-118.7136177.6-73.4159.7000111.1C107 A109 G110 V112 L115 E165 V166C107-L160 CarbonylContact C-O 3.53Å; C107-L160 WeakPolarHBondContact CB-O 3.49Å; A109-L160 WeakPolarHBondContact CA-O 3.37Å; A109-L160 HydrophobicContact CB-CB 3.73Å; A109-L160 WeakPolarHBondContact CB-O 3.47Å; A109-L160 PolarHBondContact N-O 2.12Å; G110-L160 PolarHBondContact O-N 3.26Å; V112-L160 HydrophobicContact CG2-CD1 4.43Å; L115-L160 HydrophobicContact CB-CD1 4.26Å; L115-L160 HydrophobicContact CD2-CD1 3.72Å; L160-E165 CarbonylContact C-O 3.59Å; L160-E165 WeakPolarHBondContact CA-O 3.37Å; L160-V166 HydrophobicContact CD2-CG2 3.6Å
161T93.4Very high89.4Confident12 Ų1224.4 Ų24.47%0.07412%0.122CC..  trans-80.1166.2166.172.70000111.4N163 A164 E165 K167T161-N163 PolarHBondContact O-N 3.36Å; T161-N163 VanDerWaalsContact O-N 3.09Å; T161-N163 PolarHBondContact OG1-N 3.34Å; T161-A164 WeakPolarHBondContact O-CA 3.43Å; T161-A164 PolarHBondContact O-N 3.47Å; T161-E165 HydrophobicContact CG2-CB 4.09Å; T161-E165 PolarHBondContact N-O 3.05Å; T161-E165 WeakPolarHBondContact OG1-CB 3.4Å; T161-E165 PolarHBondContact OG1-N 2.88Å; T161-E165 VanDerWaalsContact OG1-N 3.13Å; T161-K167 HydrophobicContact CG2-CD 3.73Å
162D90.1Very high88.4Confident65 Ų6522.1 Ų22.135%0.34812%0.115SC..THydrogen-bonded Turntrans-58.7-18.7172.3-64.5-76.8000114.2A164 K322 R329D162-A164 VanDerWaalsContact C-N 3.31Å; D162-K322 WeakPolarHBondContact O-CE 3.37Å; D162-R329 IonicContact OD1-CZ 3.73Å; D162-R329 IonicContact OD1-NH1 3.92Å; D162-R329 PolarHBondContact OD1-NH1 2.86Å; D162-R329 IonicContact OD1-NH2 2.83Å; D162-R329 PolarHBondContact OD1-NH2 3.07Å
163N90.9Very high87Confident94 Ų9421 Ų2150%0.50311%0.109SC..THydrogen-bonded Turntrans-94.316.1174.1-64.3-39.2000112.8T161 E165 R318T161-N163 PolarHBondContact O-N 3.36Å; T161-N163 VanDerWaalsContact O-N 3.09Å; T161-N163 PolarHBondContact OG1-N 3.34Å; N163-E165 VanDerWaalsContact C-N 3.31Å; N163-E165 HydrophobicContact CB-CG 4.39Å; N163-E165 PolarHBondContact O-N 3.32Å; N163-R318 PolarHBondContact O-NE 3.47Å; N163-R318 PolarHBondContact O-NH2 3.35Å
164A92.8Very high85Confident0 Ų021.3 Ų21.30%011%0.112CC..  trans56.734.4-17600000114.4Y131 T161 D162 R318 I321 K322Y131-A164 PolarHBondContact OH-O 2.9Å; T161-A164 WeakPolarHBondContact O-CA 3.43Å; T161-A164 PolarHBondContact O-N 3.47Å; D162-A164 VanDerWaalsContact C-N 3.31Å; A164-R318 HydrophobicContact CB-CB 4.25Å; A164-R318 HydrophobicContact CB-CG 4.4Å; A164-R318 WeakPolarHBondContact CB-O 3.46Å; A164-I321 HydrophobicContact CB-CB 4.08Å; A164-I321 HydrophobicContact CB-CG2 3.85Å; A164-K322 HydrophobicContact CB-CB 4.35Å
165E95Very high82.7Confident54 Ų5421.1 Ų21.125%0.25211%0.113SC..  trans-89.9130175.7-57.4-176.8147.900110.8L160 T161 N163 R318L160-E165 CarbonylContact C-O 3.59Å; L160-E165 WeakPolarHBondContact CA-O 3.37Å; T161-E165 HydrophobicContact CG2-CB 4.09Å; T161-E165 PolarHBondContact N-O 3.05Å; T161-E165 WeakPolarHBondContact OG1-CB 3.4Å; T161-E165 PolarHBondContact OG1-N 2.88Å; T161-E165 VanDerWaalsContact OG1-N 3.13Å; N163-E165 VanDerWaalsContact C-N 3.31Å; N163-E165 HydrophobicContact CB-CG 4.39Å; N163-E165 PolarHBondContact O-N 3.32Å; E165-R318 IonicContact OE1-CZ 2.69Å; E165-R318 IonicContact OE1-NH1 2.72Å; E165-R318 PolarHBondContact OE1-NH1 3.38Å; E165-R318 IonicContact OE1-NH2 3.57Å; E165-R318 PolarHBondContact OE1-NH2 3.06Å
166V96.9Very high80.2Confident1 Ų124.8 Ų24.81%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-88.9125.2-175.4175.40000110.2N78 Y131 I132 E135 I136 V158 L159 L160N78-V166 WeakPolarHBondContact CA-O 3.46Å; N78-V166 PolarHBondContact ND2-O 2.86Å; Y131-V166 HydrophobicContact CD1-CG2 4.48Å; Y131-V166 HydrophobicContact CE1-CG2 3.9Å; I132-V166 HydrophobicContact CB-CG2 4.49Å; I132-V166 HydrophobicContact CG1-CG2 3.99Å; I132-V166 HydrophobicContact CG2-CG1 4.36Å; E135-V166 HydrophobicContact CB-CB 3.52Å; E135-V166 HydrophobicContact CB-CG1 3.76Å; E135-V166 HydrophobicContact CB-CG2 4.11Å; E135-V166 HydrophobicContact CG-CB 3.97Å; E135-V166 HydrophobicContact CG-CG2 4.16Å; I136-V166 HydrophobicContact CG1-CG1 4.32Å; V158-V166 HydrophobicContact CG1-CG1 3.45Å; V158-V166 VanDerWaalsContact CG1-CG1 3.45Å; L159-V166 WeakPolarHBondContact O-CA 2.88Å; L160-V166 HydrophobicContact CD2-CG2 3.6Å
167K95.8Very high77.8Confident7 Ų722 Ų223%0.0312%0.117CC..EExtended strand (participates in β ladder)trans-134137.8-174.8-74.4170.5177.5-82.80112.5R77 N78 I79 E105 L159 T161R77-K167 WeakPolarHBondContact O-CE 3.5Å; R77-K167 PolarHBondContact O-NZ 2.84Å; N78-K167 WeakPolarHBondContact O-CA 3.27Å; I79-K167 PolarHBondContact O-NZ 3.46Å; I79-K167 VanDerWaalsContact O-NZ 3.17Å; E105-K167 VanDerWaalsContact CD-CE 3.44Å; E105-K167 WeakPolarHBondContact OE1-CE 3.48Å; E105-K167 IonicContact OE1-NZ 2.93Å; E105-K167 PolarHBondContact OE1-NZ 3.37Å; E105-K167 WeakPolarHBondContact OE2-CE 3.41Å; E105-K167 IonicContact OE2-NZ 3.17Å; E105-K167 PolarHBondContact OE2-NZ 3.37Å; L159-K167 PolarHBondContact N-O 3.04Å; L159-K167 PolarHBondContact O-N 2.83Å; T161-K167 HydrophobicContact CG2-CD 3.73Å
168L94.6Very high75.3Confident1 Ų122.9 Ų22.91%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-86.4145175.2-56.7177.2000111.7N78 I79 A80 I136 L140 I153 N157 V158N78-L168 WeakPolarHBondContact O-CG 3.31Å; N78-L168 PolarHBondContact O-N 2.71Å; I79-L168 HydrophobicContact CG1-CB 4.48Å; A80-L168 PolarHBondContact N-O 3.43Å; I136-L168 HydrophobicContact CG1-CD2 4.21Å; I136-L168 HydrophobicContact CG2-CD2 4.24Å; L140-L168 HydrophobicContact CD2-CD1 4.39Å; L140-L168 HydrophobicContact CG-CD1 4.4Å; I153-L168 HydrophobicContact CD1-CD1 4.37Å; I153-L168 HydrophobicContact CD1-CD2 3.9Å; N157-L168 WeakPolarHBondContact O-CA 3.49Å; V158-L168 HydrophobicContact CG2-CD2 3.89Å
169V89.6Confident72.5Confident15 Ų1528.8 Ų28.89%0.09114%0.144CC..  trans-135160.3176.8-660000111.7A80 H150 N157 L159A80-V169 HydrophobicContact CB-CG1 3.62Å; H150-V169 PolarHBondContact CE1-O 3.15Å; H150-V169 PolarHBondContact NE2-O 3.32Å; N157-V169 HydrophobicContact CB-CG2 4.11Å; N157-V169 WeakPolarHBondContact O-CG2 3.21Å; N157-V169 PolarHBondContact O-N 3.19Å; N157-V169 VanDerWaalsContact O-N 3.1Å; L159-V169 HydrophobicContact CD1-CG1 3.68Å; L159-V169 HydrophobicContact CD1-CG2 4.11Å; L159-V169 HydrophobicContact CG-CG1 4.12Å; L159-V169 HydrophobicContact CG-CG2 4.04Å
170D78.7Confident69.8Low48 Ų4830.8 Ų30.826%0.25716%0.158SC..SBendtrans53.357.9178.7-67.9-41.4000113.5K51 H150K51-D170 IonicContact NZ-OD1 2.71Å; K51-D170 PolarHBondContact NZ-OD1 3.46Å; H150-D170 PolarHBondContact CE1-O 2.83Å; H150-D170 VanDerWaalsContact CE1-O 3.25Å; H150-D170 PolarHBondContact ND1-O 2.92Å
171F70.1Confident67Low4 Ų433.5 Ų33.52%0.01817%0.174CC..  trans-107.6153.9-177.667.8-89.6000113.5V69 L70 I79 L143 V148 H150 V173V69-F171 HydrophobicContact CG1-CD2 4.41Å; V69-F171 HydrophobicContact CG1-CE2 4.02Å; L70-F171 HydrophobicContact CD2-CD1 4.42Å; L70-F171 HydrophobicContact CD2-CE1 3.71Å; L70-F171 HydrophobicContact CD2-CZ 3.86Å; I79-F171 HydrophobicContact CG2-CD1 3.92Å; I79-F171 HydrophobicContact CG2-CE1 3.33Å; I79-F171 HydrophobicContact CG2-CZ 3.95Å; L143-F171 HydrophobicContact CD1-CB 4.18Å; L143-F171 HydrophobicContact CD1-CD2 4.22Å; L143-F171 HydrophobicContact CD1-CG 4.29Å; L143-F171 HydrophobicContact CD2-CD2 3.58Å; L143-F171 HydrophobicContact CD2-CE2 3.72Å; L143-F171 HydrophobicContact CD2-CG 4.37Å; V148-F171 HydrophobicContact CG1-CD2 4.27Å; H150-F171 HydrophobicContact CB-CB 4.32Å; F171-V173 VanDerWaalsContact C-N 3.33Å; F171-V173 PolarHBondContact O-N 2.85Å
172G54.8Low64.1Low6 Ų634.1 Ų34.16%0.06218%0.184CC..SBendtrans82.6-52.8161.100000116.6I149I149-G172 WeakPolarHBondContact O-CA 3.29Å
173V51.8Low61.2Low4 Ų440.9 Ų40.92%0.02420%0.204CC..SBendtrans-126.6-26.3-167.9-160.80000114.7L65 E66 V69 F171 A175 Q176 L177L65-V173 HydrophobicContact CB-CG1 4.03Å; L65-V173 HydrophobicContact CD2-CG1 3.82Å; L65-V173 HydrophobicContact CG-CG1 3.75Å; L65-V173 HydrophobicContact CG-CG2 4.41Å; E66-V173 HydrophobicContact CB-CB 3.97Å; E66-V173 HydrophobicContact CB-CG1 4.08Å; E66-V173 HydrophobicContact CG-CB 4.23Å; V69-V173 HydrophobicContact CB-CG2 3.48Å; V69-V173 VanDerWaalsContact CB-CG2 3.48Å; V69-V173 HydrophobicContact CG1-CG2 3.76Å; V69-V173 HydrophobicContact CG2-CG2 3.46Å; V69-V173 VanDerWaalsContact CG2-CG2 3.46Å; F171-V173 VanDerWaalsContact C-N 3.33Å; F171-V173 PolarHBondContact O-N 2.85Å; V173-A175 PolarHBondContact O-N 3.09Å; V173-Q176 HydrophobicContact CG1-CB 4.3Å; V173-Q176 WeakPolarHBondContact O-CA 3.38Å; V173-Q176 VanDerWaalsContact O-CB 3.24Å; V173-Q176 WeakPolarHBondContact O-CB 3.21Å; V173-Q176 PolarHBondContact O-N 2.86Å; V173-L177 PolarHBondContact O-N 2.82Å
174S47Very low58.4Low10 Ų1046 Ų467%0.0722%0.217CC..Hα-helixtrans-57.7-36.2175.6-320000111.5Y33 E66 Q176 D178Y33-S174 PolarHBondContact OH-O 2.91Å; E66-S174 WeakPolarHBondContact OE1-CB 3.36Å; E66-S174 PolarHBondContact OE1-OG 2.84Å; S174-Q176 PolarHBondContact O-N 3.22Å; S174-D178 PolarHBondContact O-N 3.33Å
175A41.1Very low55.4Low9 Ų950.4 Ų50.47%0.07424%0.24CC..Hα-helixtrans-82.220.2171.500000114.4R151 V173 D178R151-A175 HydrophobicContact CB-CB 3.96Å; R151-A175 PolarHBondContact NH1-O 3.49Å; R151-A175 VanDerWaalsContact NH1-O 3.12Å; V173-A175 PolarHBondContact O-N 3.09Å; A175-D178 WeakPolarHBondContact CA-OD2 3.45Å
176Q37.4Very low52.4Low77 Ų7750.4 Ų50.436%0.3624%0.244SC..Hα-helixtrans-121-40.4172.2-150.1148.2-2000109.3V173 S174 D178 R179 T180V173-Q176 HydrophobicContact CG1-CB 4.3Å; V173-Q176 WeakPolarHBondContact O-CA 3.38Å; V173-Q176 VanDerWaalsContact O-CB 3.24Å; V173-Q176 WeakPolarHBondContact O-CB 3.21Å; V173-Q176 PolarHBondContact O-N 2.86Å; S174-Q176 PolarHBondContact O-N 3.22Å; Q176-D178 PolarHBondContact O-N 3.14Å; Q176-R179 WeakPolarHBondContact O-CB 3.45Å; Q176-R179 PolarHBondContact O-N 3.45Å; Q176-T180 PolarHBondContact O-OG1 2.87Å
177L38Very low49.4Very low5 Ų554.1 Ų54.13%0.02626%0.26CS..Hα-helixtrans-48.9-37.1159.2-78.4146.3000112.2Y33 E62 I63 E66 V173 R179 T180 V181Y33-L177 HydrophobicContact CE1-CB 4.04Å; Y33-L177 VanDerWaalsContact OH-C 3.22Å; Y33-L177 WeakPolarHBondContact OH-CB 3.44Å; E62-L177 HydrophobicContact CB-CD2 3.38Å; E62-L177 HydrophobicContact CB-CG 3.83Å; E62-L177 WeakPolarHBondContact OE2-CA 3.33Å; I63-L177 HydrophobicContact CG1-CD2 4.49Å; E66-L177 HydrophobicContact CB-CD1 4.17Å; V173-L177 PolarHBondContact O-N 2.82Å; L177-R179 PolarHBondContact O-N 2.93Å; L177-T180 PolarHBondContact O-N 2.85Å; L177-V181 HydrophobicContact CB-CG2 4.4Å; L177-V181 HydrophobicContact CD2-CG2 3.97Å; L177-V181 WeakPolarHBondContact O-CB 3.43Å; L177-V181 WeakPolarHBondContact O-CG2 3.28Å; L177-V181 PolarHBondContact O-N 2.83Å; L177-V181 VanDerWaalsContact O-N 3.14Å
178D38.5Very low46.7Very low29 Ų2955 Ų5516%0.15527%0.265CS..THydrogen-bonded Turntrans-55.5-23176-87.9-37000113.5Y33 S174 A175 Q176 T186Y33-D178 VanDerWaalsContact OH-CA 3.26Å; Y33-D178 WeakPolarHBondContact OH-CA 3.49Å; Y33-D178 PolarHBondContact OH-N 2.8Å; Y33-D178 PolarHBondContact OH-OD1 3.21Å; Y33-D178 VanDerWaalsContact OH-OD1 3.05Å; S174-D178 PolarHBondContact O-N 3.33Å; A175-D178 WeakPolarHBondContact CA-OD2 3.45Å; Q176-D178 PolarHBondContact O-N 3.14Å; D178-T186 VanDerWaalsContact O-CB 3.23Å; D178-T186 WeakPolarHBondContact O-CB 3.41Å; D178-T186 PolarHBondContact O-OG1 3.43Å
179R37.1Very low44.1Very low125 Ų12555.5 Ų55.547%0.47227%0.27SS..THydrogen-bonded Turntrans-86.7-16.9-174.8-60.5-173.4173.3-150.9-3.4114.1Q176 L177 I188Q176-R179 WeakPolarHBondContact O-CB 3.45Å; Q176-R179 PolarHBondContact O-N 3.45Å; L177-R179 PolarHBondContact O-N 2.93Å; R179-I188 VanDerWaalsContact NH2-CD1 3.28Å
180T37.6Very low41.6Very low81 Ų8156.1 Ų56.150%0.49727%0.274SS..THydrogen-bonded Turntrans-128.5-36.1-161.211.60000112.2E62 Q176 L177 G182E62-T180 VanDerWaalsContact CD-CB 3.5Å; E62-T180 WeakPolarHBondContact OE1-CB 3.36Å; E62-T180 WeakPolarHBondContact OE1-CG2 3.42Å; E62-T180 PolarHBondContact OE1-OG1 3.15Å; E62-T180 VanDerWaalsContact OE1-OG1 3.12Å; E62-T180 VanDerWaalsContact OE2-CB 3.24Å; E62-T180 WeakPolarHBondContact OE2-CB 3.47Å; E62-T180 PolarHBondContact OE2-OG1 3.47Å; Q176-T180 PolarHBondContact O-OG1 2.87Å; L177-T180 PolarHBondContact O-N 2.85Å; T180-G182 PolarHBondContact O-N 2.89Å
181V36.5Very low39.3Very low56 Ų5654.9 Ų54.934%0.33927%0.268SS..SBendtrans-7124.4174.8-172.80000112.8E59 L177E59-V181 HydrophobicContact CB-CG2 4.48Å; E59-V181 HydrophobicContact CG-CG1 4.34Å; E59-V181 HydrophobicContact CG-CG2 3.96Å; E59-V181 WeakPolarHBondContact OE1-CG1 3.39Å; L177-V181 HydrophobicContact CB-CG2 4.4Å; L177-V181 HydrophobicContact CD2-CG2 3.97Å; L177-V181 WeakPolarHBondContact O-CB 3.43Å; L177-V181 WeakPolarHBondContact O-CG2 3.28Å; L177-V181 PolarHBondContact O-N 2.83Å; L177-V181 VanDerWaalsContact O-N 3.14Å
182G31.6Very low37.6Very low26 Ų2658 Ų5827%0.26828%0.281SS..SBendtrans-160.4110.6-179.900000111.7T180 R184T180-G182 PolarHBondContact O-N 2.89Å; G182-R184 VanDerWaalsContact C-N 3.33Å; G182-R184 PolarHBondContact O-N 2.79Å
183R29.5Very low36.5Very low206 Ų20664.4 Ų64.478%0.77730%0.303SS*.SBendtrans-63.787.1-179.8-70.4-178.8179.7153.26.1112.3D58D58-R183 IonicContact OD2-NH2 3.76Å
184R31.9Very low35.2Very low203 Ų20373.3 Ų73.377%0.76634%0.337SS*.SBendtrans85119.3177.8-52.3174.4178.592.6-2.2115.5G182G182-R184 VanDerWaalsContact C-N 3.33Å; G182-R184 PolarHBondContact O-N 2.79Å
185N30.7Very low34.4Very low91 Ų9178 Ų7849%0.48736%0.362SS..  trans58.770.9164.5-65.747000117R857N185-R857 PolarHBondContact OD1-NH1 3.44Å
186T31.6Very low33.6Very low54 Ų5481.2 Ų81.233%0.33138%0.381SS..PPolyproline II helixtrans-91.4131.2154.86.80000110D178D178-T186 VanDerWaalsContact O-CB 3.23Å; D178-T186 WeakPolarHBondContact O-CB 3.41Å; D178-T186 PolarHBondContact O-OG1 3.43Å
187F33.6Very low33.1Very low79 Ų7982.8 Ų82.835%0.34640%0.395SS..PPolyproline II helixtrans-78.8140.8-174.6-151.5-89.5000110.7M213 L260F187-M213 HydrophobicContact CD1-CE 4.05Å; F187-M213 HydrophobicContact CD1-SD 4.46Å; F187-M213 HydrophobicContact CE1-CE 3.95Å; F187-M213 HydrophobicContact CE1-SD 3.78Å; F187-L260 HydrophobicContact CD1-CD1 4.5Å; F187-L260 HydrophobicContact CE1-CD1 3.7Å; F187-L260 HydrophobicContact CE1-CD2 3.64Å; F187-L260 HydrophobicContact CE1-CG 4.33Å; F187-L260 HydrophobicContact CE2-CD1 4.07Å; F187-L260 HydrophobicContact CZ-CD1 3.46Å; F187-L260 VanDerWaalsContact CZ-CD1 3.46Å; F187-L260 HydrophobicContact CZ-CD2 3.74Å; F187-L260 HydrophobicContact CZ-CG 4.19Å
188I38.2Very low32.5Very low27 Ų2787.1 Ų87.114%0.13842%0.422CS..SBendtrans-80.1126-175.2-65.7159.8000110.3R179 M213 Y228R179-I188 VanDerWaalsContact NH2-CD1 3.28Å; I188-M213 WeakPolarHBondContact O-CE 3.43Å; I188-Y228 HydrophobicContact CD1-CE1 4.34Å; I188-Y228 VanDerWaalsContact CD1-OH 3.26Å; I188-Y228 WeakPolarHBondContact CD1-OH 3.48Å
189G40.7Very low31.9Very low10 Ų1093 Ų9310%0.10345%0.453CS..SBendtrans100.7141.1179.100000113.4P191G189-P191 VanDerWaalsContact O-CD 3.31Å; G189-P191 WeakPolarHBondContact O-CD 3.3Å
190T36.8Very low31.4Very low29 Ų2992.5 Ų92.518%0.17846%0.464CS..  trans-49.5114.2-156.2-69.30000115.5D152 K154 Y192D152-T190 VanDerWaalsContact CG-OG1 3.31Å; D152-T190 PolarHBondContact OD1-N 3.02Å; D152-T190 PolarHBondContact OD1-OG1 2.99Å; D152-T190 PolarHBondContact OD2-OG1 3.21Å; K154-T190 PolarHBondContact NZ-OG1 3.34Å; T190-Y192 HydrophobicContact CG2-CD1 3.91Å; T190-Y192 HydrophobicContact CG2-CE1 3.62Å; T190-Y192 HydrophobicContact CG2-CE2 4.4Å; T190-Y192 HydrophobicContact CG2-CG 4.4Å
191P31.3Very low30.9Very low22 Ų2294.4 Ų94.414%0.14348%0.475CS..  trans-91.1102.3173.632.3-28.6000111.5G189 W193 P878G189-P191 VanDerWaalsContact O-CD 3.31Å; G189-P191 WeakPolarHBondContact O-CD 3.3Å; P191-W193 HydrophobicContact CG-CZ3 4.34Å; P191-W193 WeakPolarHBondContact O-CZ3 3.48Å; P191-P878 HydrophobicContact CB-CB 3.83Å; P191-P878 HydrophobicContact CB-CG 3.58Å
192Y35Very low30.4Very low70 Ų7098.1 Ų98.128%0.27549%0.493SS..PPolyproline II helixtrans-61.1146.2-165-71.5-70.6000118.6Q156 T190 P878Q156-Y192 VanDerWaalsContact OE1-CE1 3.29Å; Q156-Y192 PolarHBondContact OE1-OH 2.78Å; T190-Y192 HydrophobicContact CG2-CD1 3.91Å; T190-Y192 HydrophobicContact CG2-CE1 3.62Å; T190-Y192 HydrophobicContact CG2-CE2 4.4Å; T190-Y192 HydrophobicContact CG2-CG 4.4Å; Y192-P878 WeakPolarHBondContact O-CB 3.41Å
193W30.2Very low30.2Very low140 Ų140104 Ų10453%0.5352%0.519SS..PPolyproline II helixtrans-84.4161.2-171.2-101-128.6000115.5T32 P191T32-W193 HydrophobicContact CG2-CE3 4.47Å; T32-W193 HydrophobicContact CG2-CH2 3.78Å; T32-W193 HydrophobicContact CG2-CZ3 3.67Å; T32-W193 VanDerWaalsContact O-CZ2 3.23Å; T32-W193 WeakPolarHBondContact O-CZ2 3.38Å; P191-W193 HydrophobicContact CG-CZ3 4.34Å; P191-W193 WeakPolarHBondContact O-CZ3 3.48Å
194Y25.5Very low30.2Very low190 Ų190101.4 Ų101.475%0.74552%0.518SS*.PPolyproline II helixtrans-67.2162166.381.6-39.7000112.3
195N29.2Very low30Very low110 Ų11097.2 Ų97.259%0.58852%0.52SS*.  -164.5-172.957.888.276.9000114.2R835N195-R835 VanDerWaalsContact CB-NH1 3.32Å; N195-R835 VanDerWaalsContact OD1-CZ 3.29Å; N195-R835 PolarHBondContact OD1-NH1 3.01Å; N195-R835 PolarHBondContact OD1-NH2 2.83Å
196T24.2Very low29.8Very low76 Ų7698 Ų9847%0.46653%0.532SS..  trans-107.7145-159.3-43.10000115.5R835T196-R835 HydrophobicContact CG2-CG 4.39Å; T196-R835 VanDerWaalsContact O-CZ 3.32Å; T196-R835 PolarHBondContact O-NH2 3.32Å; T196-R835 PolarHBondContact OG1-NH1 2.86Å
197T27Very low29.9Very low109 Ų109103.6 Ų103.667%0.66956%0.555SS**  trans178.1109130.8-78.30000109.7
198T25.5Very low30Very low96 Ų96103.7 Ų103.759%0.58956%0.563SS**  77.8129.584.4-370000114.6
199L26.2Very low30Very low153 Ų153102.6 Ų102.680%0.80156%0.558SS**  trans72.5145.7179.9-44.2-178.3000114.3
200T26.7Very low29.8Very low115 Ų115104 Ų10471%0.70656%0.564SS**  cis-159.7147.6-17.910.70000109.3
201V28.1Very low30Very low121 Ų121102.8 Ų102.873%0.73356%0.556SS**  trans66.9127.9157178.20000117.5
202D25.5Very low30.7Very low134 Ų134103.1 Ų103.172%0.71755%0.554SS**  trans56.4108.8157.6-59.7-3.8000122.9
203N26.7Very low31.3Very low150 Ų150101.8 Ų101.880%0.80255%0.551SS**  trans74.4150.7145-63.2-52000121
204I30.3Very low31.8Very low151 Ų15195.1 Ų95.177%0.77453%0.526SS*.  trans71.990.2170.5-49.8179.9000117.3
205S26.3Very low32.8Very low115 Ų11586.6 Ų86.680%0.80449%0.494SS*.  trans0.3125.4148.6560000120.9
206S26.6Very low33.8Very low106 Ų10682 Ų8274%0.74147%0.469SS*.  trans-156.488160.852.20000114.6
207H33.7Very low35.1Very low172 Ų17279.5 Ų79.580%0.79645%0.453SS*.  trans-136.8130.2173.1-74.6-12.2000111
208P36.6Very low36.2Very low81 Ų8175.5 Ų75.553%0.52643%0.428SS..  trans-113.6134.5-162.339.9-34.2000119.2N210 C252P208-N210 PolarHBondContact O-ND2 2.94Å; P208-C252 CarbonylContact C-O 3.53Å
209A38.1Very low37Very low4 Ų472.3 Ų72.33%0.03341%0.411CS..  6482.1122.200000122R212 P249 C252A209-R212 PolarHBondContact O-NH1 3.1Å; A209-P249 HydrophobicContact CB-CG 3.5Å; A209-P249 VanDerWaalsContact CB-CG 3.5Å; A209-C252 HydrophobicContact CB-CB 4.4Å; A209-C252 PolarHBondContact N-O 2.84Å
210N36.7Very low37.8Very low41 Ų4166 Ų6622%0.21938%0.38CS..  trans-131.842.2179.7-64.1-87.6000116.1P208 P256 A259P208-N210 PolarHBondContact O-ND2 2.94Å; N210-P256 HydrophobicContact CB-CB 3.78Å; N210-P256 HydrophobicContact CB-CG 3.64Å; N210-P256 WeakPolarHBondContact OD1-CG 3.27Å; N210-A259 WeakPolarHBondContact O-CB 3.21Å
211S41.3Very low38.5Very low2 Ų264.5 Ų64.51%0.01437%0.367CS..  trans-125.424.6-178.2-167.80000116I239 P250S211-I239 WeakPolarHBondContact O-CG1 3.25Å; S211-P250 WeakPolarHBondContact CB-O 3.41Å
212R46.3Very low39.2Very low30 Ų3064.3 Ų64.311%0.11336%0.358CS..  trans-84-18.4-170.8-61.7-167.5-174.580-9.7115.7K154 A209 S236 I239 E243 P249K154-R212 VanDerWaalsContact CB-CD 3.42Å; A209-R212 PolarHBondContact O-NH1 3.1Å; R212-S236 PolarHBondContact O-OG 2.84Å; R212-I239 HydrophobicContact CB-CG2 4.3Å; R212-I239 HydrophobicContact CG-CB 4.39Å; R212-I239 HydrophobicContact CG-CG2 3.79Å; R212-E243 IonicContact CZ-OE1 2.83Å; R212-E243 IonicContact CZ-OE2 3.78Å; R212-E243 VanDerWaalsContact CZ-OE2 3.23Å; R212-E243 IonicContact NE-OE2 2.74Å; R212-E243 PolarHBondContact NE-OE2 2.92Å; R212-E243 IonicContact NH2-OE1 2.71Å; R212-E243 PolarHBondContact NH2-OE1 2.95Å; R212-E243 IonicContact NH2-OE2 2.89Å; R212-E243 PolarHBondContact NH2-OE2 3.14Å; R212-P249 HydrophobicContact CG-CB 4.47Å
213M46.1Very low39.7Very low41 Ų4161.6 Ų61.620%0.20234%0.343CS..SBendtrans-75.3147.5-175.1-63.9170.5-167.800112.8F187 I188 V217 I218 W235 L260F187-M213 HydrophobicContact CD1-CE 4.05Å; F187-M213 HydrophobicContact CD1-SD 4.46Å; F187-M213 HydrophobicContact CE1-CE 3.95Å; F187-M213 HydrophobicContact CE1-SD 3.78Å; I188-M213 WeakPolarHBondContact O-CE 3.43Å; M213-V217 HydrophobicContact CB-CG1 4.34Å; M213-V217 HydrophobicContact CG-CG1 4.44Å; M213-I218 HydrophobicContact CB-CD1 4.2Å; M213-I218 HydrophobicContact CB-CG1 4.19Å; M213-W235 PolarHBondContact O-NE1 3.43Å; M213-L260 HydrophobicContact SD-CD2 3.6Å; M213-L260 VanDerWaalsContact SD-CD2 3.6Å
214A41.5Very low40.1Very low0 Ų059 Ų590%034%0.335CS..  trans-78.5151.5175.900000111.9E216 V217 I218 W235A214-E216 VanDerWaalsContact C-N 3.26Å; A214-E216 VanDerWaalsContact CB-CD 3.44Å; A214-E216 WeakPolarHBondContact CB-OE1 2.84Å; A214-E216 VanDerWaalsContact CB-OE2 3.26Å; A214-E216 WeakPolarHBondContact CB-OE2 3.02Å; A214-E216 PolarHBondContact O-N 3.26Å; A214-V217 HydrophobicContact CB-CB 4.32Å; A214-V217 HydrophobicContact CB-CG2 4.02Å; A214-V217 WeakPolarHBondContact O-CB 3.44Å; A214-V217 PolarHBondContact O-N 3.18Å; A214-I218 PolarHBondContact O-N 3.46Å; A214-W235 HydrophobicContact CB-CB 3.63Å; A214-W235 HydrophobicContact CB-CD2 4.26Å; A214-W235 HydrophobicContact CB-CG 3.63Å
215P46.3Very low40.2Very low11 Ų1158.2 Ų58.27%0.07133%0.332CS..Hα-helixtrans-58.6-36.7179.6-26.236.8000113I218 A219 W235 I263 K291P215-I218 PolarHBondContact O-N 2.84Å; P215-A219 WeakPolarHBondContact O-CB 3.27Å; P215-A219 PolarHBondContact O-N 3.06Å; P215-W235 HydrophobicContact CG-CE3 4.25Å; P215-W235 HydrophobicContact CG-CH2 3.66Å; P215-W235 HydrophobicContact CG-CZ2 4.02Å; P215-W235 HydrophobicContact CG-CZ3 3.78Å; P215-I263 HydrophobicContact CG-CG2 4.27Å; P215-K291 HydrophobicContact CG-CB 4.1Å; P215-K291 HydrophobicContact CG-CG 4Å
216E49.8Very low40.5Very low14 Ų1453.8 Ų53.87%0.06530%0.303CS..Hα-helixtrans-71.9-27.8175.877.4-72.6177.600113.3A214 I218 A219 C220 S232 Y293 R296A214-E216 VanDerWaalsContact C-N 3.26Å; A214-E216 VanDerWaalsContact CB-CD 3.44Å; A214-E216 WeakPolarHBondContact CB-OE1 2.84Å; A214-E216 VanDerWaalsContact CB-OE2 3.26Å; A214-E216 WeakPolarHBondContact CB-OE2 3.02Å; A214-E216 PolarHBondContact O-N 3.26Å; E216-I218 PolarHBondContact O-N 2.83Å; E216-A219 PolarHBondContact O-N 2.88Å; E216-C220 PolarHBondContact O-N 3.46Å; E216-C220 PolarHBondContact O-SG 3.08Å; E216-S232 WeakPolarHBondContact OE1-CA 3.5Å; E216-S232 WeakPolarHBondContact OE1-CB 3.43Å; E216-S232 PolarHBondContact OE1-N 2.78Å; E216-Y293 HydrophobicContact CB-CD1 3.74Å; E216-Y293 HydrophobicContact CB-CE1 4.45Å; E216-Y293 HydrophobicContact CB-CG 3.97Å; E216-Y293 HydrophobicContact CG-CD1 4.12Å; E216-Y293 HydrophobicContact CG-CD2 4.38Å; E216-Y293 HydrophobicContact CG-CG 3.8Å; E216-R296 VanDerWaalsContact CD-NH1 3.31Å; E216-R296 IonicContact OE1-CZ 2.78Å; E216-R296 IonicContact OE1-NH1 3.23Å; E216-R296 PolarHBondContact OE1-NH1 2.89Å; E216-R296 IonicContact OE1-NH2 2.65Å; E216-R296 IonicContact OE2-CZ 3.81Å; E216-R296 IonicContact OE2-NH1 2.73Å; E216-R296 PolarHBondContact OE2-NH1 2.96Å; E216-R296 IonicContact OE2-NH2 3.54Å; E216-R296 PolarHBondContact OE2-NH2 3.04Å
217V52.4Low41Very low24 Ų2453.5 Ų53.515%0.14530%0.296CS..Hα-helixtrans-67.3-25.7172.3169.20000111.1M213 A214 Y228 S232M213-V217 HydrophobicContact CB-CG1 4.34Å; M213-V217 HydrophobicContact CG-CG1 4.44Å; A214-V217 HydrophobicContact CB-CB 4.32Å; A214-V217 HydrophobicContact CB-CG2 4.02Å; A214-V217 WeakPolarHBondContact O-CB 3.44Å; A214-V217 PolarHBondContact O-N 3.18Å; V217-Y228 HydrophobicContact CG1-CE1 4.29Å; V217-Y228 HydrophobicContact CG2-CD1 4.49Å; V217-Y228 HydrophobicContact CG2-CE1 4.4Å; V217-S232 VanDerWaalsContact CG2-CB 3.42Å
218I48.8Very low41.8Very low25 Ų2548.2 Ų48.213%0.12827%0.27CS..Hα-helixtrans-89.1-35.3175-57.6168.5000110.6M213 A214 P215 E216 C220 L260 I263 P264M213-I218 HydrophobicContact CB-CD1 4.2Å; M213-I218 HydrophobicContact CB-CG1 4.19Å; A214-I218 PolarHBondContact O-N 3.46Å; P215-I218 PolarHBondContact O-N 2.84Å; E216-I218 PolarHBondContact O-N 2.83Å; I218-C220 VanDerWaalsContact C-N 3.28Å; I218-C220 PolarHBondContact O-N 3.41Å; I218-L260 HydrophobicContact CD1-CD2 4.09Å; I218-L260 HydrophobicContact CG1-CD2 4.2Å; I218-I263 HydrophobicContact CD1-CB 3.65Å; I218-I263 HydrophobicContact CD1-CD1 3.95Å; I218-I263 HydrophobicContact CD1-CG1 4.43Å; I218-I263 HydrophobicContact CD1-CG2 3.62Å; I218-P264 HydrophobicContact CB-CG 4.01Å; I218-P264 HydrophobicContact CD1-CG 4.24Å; I218-P264 HydrophobicContact CG2-CG 3.64Å
219A44.2Very low43Very low28 Ų2845.9 Ų45.923%0.23125%0.253CS..Hα-helixtrans-80.1-1.1176.900000114.2P215 E216 D221 E222 N223P215-A219 WeakPolarHBondContact O-CB 3.27Å; P215-A219 PolarHBondContact O-N 3.06Å; E216-A219 PolarHBondContact O-N 2.88Å; A219-D221 PolarHBondContact O-N 3.21Å; A219-E222 PolarHBondContact O-N 3.22Å; A219-N223 PolarHBondContact O-N 3.39Å
220C41Very low44.9Very low22 Ų2246.4 Ų46.415%0.14926%0.257CS..THydrogen-bonded Turntrans-64.7-11.8168-78.20000113.5E216 I218 A226 Y228E216-C220 PolarHBondContact O-N 3.46Å; E216-C220 PolarHBondContact O-SG 3.08Å; I218-C220 VanDerWaalsContact C-N 3.28Å; I218-C220 PolarHBondContact O-N 3.41Å; C220-A226 PolarHBondContact SG-O 3.29Å; C220-A226 VanDerWaalsContact SG-O 3.33Å; C220-Y228 HydrophobicContact CB-CD2 4.36Å; C220-Y228 HydrophobicContact CB-CE2 3.53Å; C220-Y228 WeakPolarHBondContact SG-CE2 3.33Å
221D42.8Very low47.1Very low82 Ų8245.2 Ų45.244%0.43925%0.249SC..THydrogen-bonded Turntrans-92-11.7169.2-63.9-43.5000112.5A219A219-D221 PolarHBondContact O-N 3.21Å
222E42Very low49Very low117 Ų11745.2 Ų45.255%0.54725%0.249SC..THydrogen-bonded Turntrans-100.2-10.5-177.8-66.3-177.6160.200113.9A219A219-E222 PolarHBondContact O-N 3.22Å
223N35.8Very low51Low77 Ų7743.8 Ų43.841%0.41224%0.244SC..  trans-151119.9179.5175.15.4000111.9A219 D225 A226A219-N223 PolarHBondContact O-N 3.39Å; N223-D225 PolarHBondContact O-N 3.23Å; N223-D225 PolarHBondContact OD1-N 3.26Å; N223-A226 HydrophobicContact CB-CB 4.04Å; N223-A226 WeakPolarHBondContact O-CB 3.48Å; N223-A226 PolarHBondContact O-N 1.92Å
224P35Very low53.2Low96 Ų9641.9 Ų41.962%0.62323%0.234SC*.THydrogen-bonded Turntrans-67.3-18.1-179.727.6-35.3000114.7
225D32.9Very low55.5Low135 Ų13542 Ų4272%0.72224%0.235SC*.THydrogen-bonded Turntrans-88.5-1.5172.1-69.5-40.8000112.9N223 T227N223-D225 PolarHBondContact O-N 3.23Å; N223-D225 PolarHBondContact OD1-N 3.26Å; D225-T227 VanDerWaalsContact C-N 3.32Å; D225-T227 PolarHBondContact O-N 2.68Å
226A33.9Very low57.7Low22 Ų2241.9 Ų41.918%0.18223%0.234CC..  trans-70.885.6176.300000111.1C220 N223 Y228C220-A226 PolarHBondContact SG-O 3.29Å; C220-A226 VanDerWaalsContact SG-O 3.33Å; N223-A226 HydrophobicContact CB-CB 4.04Å; N223-A226 WeakPolarHBondContact O-CB 3.48Å; N223-A226 PolarHBondContact O-N 1.92Å; A226-Y228 PolarHBondContact O-N 3.31Å
227T35.3Very low59.8Low99 Ų9941.2 Ų41.261%0.60723%0.231SC*.  trans-70125.5175.853.40000111.1D225 D229D225-T227 VanDerWaalsContact C-N 3.32Å; D225-T227 PolarHBondContact O-N 2.68Å; T227-D229 PolarHBondContact O-N 3.4Å
228Y51.1Low61.8Low62 Ų6240.1 Ų40.124%0.24322%0.224CC..  trans-54106.1166.7-76.5-100.6000110.2I149 I188 V217 C220 A226I149-Y228 WeakPolarHBondContact CD1-O 3.49Å; I188-Y228 HydrophobicContact CD1-CE1 4.34Å; I188-Y228 VanDerWaalsContact CD1-OH 3.26Å; I188-Y228 WeakPolarHBondContact CD1-OH 3.48Å; V217-Y228 HydrophobicContact CG1-CE1 4.29Å; V217-Y228 HydrophobicContact CG2-CD1 4.49Å; V217-Y228 HydrophobicContact CG2-CE1 4.4Å; C220-Y228 HydrophobicContact CB-CD2 4.36Å; C220-Y228 HydrophobicContact CB-CE2 3.53Å; C220-Y228 WeakPolarHBondContact SG-CE2 3.33Å; A226-Y228 PolarHBondContact O-N 3.31Å
229D62.7Low64Low31 Ų3138.9 Ų38.917%0.16622%0.218CC..  trans-95.3150.3175.4-166.6-8.8000110.8T227 R231 S232 Y293T227-D229 PolarHBondContact O-N 3.4Å; D229-R231 PolarHBondContact O-N 3.18Å; D229-R231 IonicContact OD2-CZ 3.65Å; D229-R231 IonicContact OD2-NE 2.68Å; D229-R231 PolarHBondContact OD2-NE 3.39Å; D229-R231 IonicContact OD2-NH2 2.89Å; D229-R231 PolarHBondContact OD2-NH2 2.81Å; D229-S232 WeakPolarHBondContact O-CB 3.13Å; D229-S232 PolarHBondContact O-N 3.1Å; D229-S232 PolarHBondContact O-OG 3.35Å; D229-Y293 HydrophobicContact CB-CD2 4.06Å; D229-Y293 HydrophobicContact CB-CE2 4.13Å
230S77Confident66.3Low16 Ų1637.6 Ų37.611%0.11221%0.207CC..THydrogen-bonded Turntrans-41.1-30.9166.660.40000114.8H144 S232 D233H144-S230 PolarHBondContact CE1-O 3.05Å; H144-S230 PolarHBondContact NE2-O 2.9Å; S230-S232 PolarHBondContact O-N 2.8Å; S230-D233 PolarHBondContact O-N 2.91Å
231R83.1Confident68.9Low15 Ų1536.5 Ų36.56%0.05720%0.2CC..Hα-helixtrans-65.1-14.6178.6-67.5-178.2-80.1177.93114.5D229 L234 W235 Y293 H294 R296 Y298D229-R231 PolarHBondContact O-N 3.18Å; D229-R231 IonicContact OD2-CZ 3.65Å; D229-R231 IonicContact OD2-NE 2.68Å; D229-R231 PolarHBondContact OD2-NE 3.39Å; D229-R231 IonicContact OD2-NH2 2.89Å; D229-R231 PolarHBondContact OD2-NH2 2.81Å; R231-L234 HydrophobicContact CB-CD1 4.44Å; R231-L234 HydrophobicContact CG-CD1 4.13Å; R231-L234 WeakPolarHBondContact O-CB 3.32Å; R231-L234 PolarHBondContact O-N 3.22Å; R231-W235 PolarHBondContact O-N 2.93Å; R231-Y293 PolarHBondContact NE-O 2.66Å; R231-Y293 PolarHBondContact NH1-O 2.97Å; R231-H294 PolarHBondContact NH1-O 3.32Å; R231-R296 WeakPolarHBondContact CD-O 3.23Å; R231-R296 PolarHBondContact NH1-O 3.23Å; R231-R296 PolarHBondContact O-NH1 2.86Å; R231-Y298 HydrophobicContact CG-CD1 3.93Å; R231-Y298 HydrophobicContact CG-CE1 4.03Å; R231-Y298 PolarHBondContact NH2-OH 2.95Å
232S81.9Confident71.3Confident3 Ų332.6 Ų32.62%0.02118%0.179CC..Hα-helixtrans-64-38.1171.954.80000113.4E216 V217 D229 S230 L234 W235 S236E216-S232 WeakPolarHBondContact OE1-CA 3.5Å; E216-S232 WeakPolarHBondContact OE1-CB 3.43Å; E216-S232 PolarHBondContact OE1-N 2.78Å; V217-S232 VanDerWaalsContact CG2-CB 3.42Å; D229-S232 WeakPolarHBondContact O-CB 3.13Å; D229-S232 PolarHBondContact O-N 3.1Å; D229-S232 PolarHBondContact O-OG 3.35Å; S230-S232 PolarHBondContact O-N 2.8Å; S232-L234 PolarHBondContact O-N 3.42Å; S232-W235 PolarHBondContact O-N 2.73Å; S232-S236 PolarHBondContact O-N 3Å; S232-S236 PolarHBondContact O-OG 2.77Å
233D87.8Confident73.8Confident0 Ų027.2 Ų27.20%015%0.154CC..Hα-helixtrans-64.5-27.2174.4-67.8-36.6000111.9L140 H144 I149 H150 R151 I153 S230 S236 L237L140-D233 HydrophobicContact CD1-CB 3.85Å; L140-D233 HydrophobicContact CD2-CB 3.73Å; L140-D233 HydrophobicContact CG-CB 4.44Å; H144-D233 IonicContact CD2-OD2 2.75Å; H144-D233 WeakPolarHBondContact NE2-CB 3.28Å; H144-D233 IonicContact NE2-OD2 2.68Å; H144-D233 PolarHBondContact NE2-OD2 2.89Å; I149-D233 WeakPolarHBondContact CG2-OD2 3.44Å; H150-D233 PolarHBondContact N-OD1 2.84Å; H150-D233 PolarHBondContact N-OD2 2.7Å; R151-D233 PolarHBondContact N-OD1 2.81Å; I153-D233 HydrophobicContact CG1-CB 4.15Å; S230-D233 PolarHBondContact O-N 2.91Å; D233-S236 WeakPolarHBondContact O-CB 3.33Å; D233-S236 PolarHBondContact O-N 3.17Å; D233-L237 WeakPolarHBondContact O-CB 3.15Å; D233-L237 PolarHBondContact O-N 2.71Å
234L92.5Very high76.6Confident0 Ų023.5 Ų23.50%013%0.134CC..Hα-helixtrans-77.5-35-176.7-52.7178.5000112.3L137 L140 H144 R231 S232 L237 G238 P297 T299 L302L137-L234 HydrophobicContact CD2-CD2 3.95Å; L140-L234 HydrophobicContact CD1-CD2 3.91Å; H144-L234 WeakPolarHBondContact CE1-CD2 3.39Å; H144-L234 WeakPolarHBondContact CE1-CG 3.32Å; R231-L234 HydrophobicContact CB-CD1 4.44Å; R231-L234 HydrophobicContact CG-CD1 4.13Å; R231-L234 WeakPolarHBondContact O-CB 3.32Å; R231-L234 PolarHBondContact O-N 3.22Å; S232-L234 PolarHBondContact O-N 3.42Å; L234-L237 WeakPolarHBondContact O-CB 3.26Å; L234-G238 PolarHBondContact O-N 3.25Å; L234-P297 WeakPolarHBondContact CD1-O 3.5Å; L234-T299 HydrophobicContact CD2-CG2 4.09Å; L234-L302 HydrophobicContact CB-CD1 4.01Å; L234-L302 HydrophobicContact CD1-CD1 3.88Å; L234-L302 HydrophobicContact CD2-CD1 4.01Å; L234-L302 HydrophobicContact CG-CD1 4.17Å
235W90.1Very high79.3Confident3 Ų319 Ų191%0.01111%0.105CC..Hα-helixtrans-65.7-43166.8173.6-74.8000110.9M213 A214 P215 R231 S232 L237 G238 I239 I263 L289 K291M213-W235 PolarHBondContact O-NE1 3.43Å; A214-W235 HydrophobicContact CB-CB 3.63Å; A214-W235 HydrophobicContact CB-CD2 4.26Å; A214-W235 HydrophobicContact CB-CG 3.63Å; P215-W235 HydrophobicContact CG-CE3 4.25Å; P215-W235 HydrophobicContact CG-CH2 3.66Å; P215-W235 HydrophobicContact CG-CZ2 4.02Å; P215-W235 HydrophobicContact CG-CZ3 3.78Å; R231-W235 PolarHBondContact O-N 2.93Å; S232-W235 PolarHBondContact O-N 2.73Å; W235-L237 VanDerWaalsContact C-N 3.29Å; W235-L237 PolarHBondContact O-N 3.27Å; W235-G238 CarbonylContact O-C 3.6Å; W235-G238 VanDerWaalsContact O-CA 3.27Å; W235-G238 WeakPolarHBondContact O-CA 3.26Å; W235-G238 PolarHBondContact O-N 3.14Å; W235-I239 HydrophobicContact CZ2-CD1 4.49Å; W235-I239 PolarHBondContact O-N 3.47Å; W235-I263 HydrophobicContact CZ2-CG2 4.21Å; W235-L289 HydrophobicContact CD2-CD2 3.59Å; W235-L289 HydrophobicContact CE3-CB 4.19Å; W235-L289 HydrophobicContact CE3-CD2 3.9Å; W235-L289 HydrophobicContact CG-CD2 3.89Å; W235-L289 HydrophobicContact CH2-CB 4.43Å; W235-L289 HydrophobicContact CZ2-CD2 4.33Å; W235-L289 VanDerWaalsContact CZ3-C 3.46Å; W235-L289 HydrophobicContact CZ3-CB 4.04Å; W235-L289 HydrophobicContact CZ3-CD2 4.38Å; W235-L289 WeakPolarHBondContact CZ3-O 3.32Å; W235-L289 WeakPolarHBondContact O-CD2 3.07Å; W235-K291 HydrophobicContact CH2-CG 3.94Å; W235-K291 HydrophobicContact CZ3-CB 4.48Å; W235-K291 HydrophobicContact CZ3-CG 3.92Å
236S91.1Very high82Confident9 Ų914.7 Ų14.76%0.0638%0.08CC..Hα-helixtrans-62.3-37179.6-54.20000111.8R212 S232 D233 I239 T240R212-S236 PolarHBondContact O-OG 2.84Å; S232-S236 PolarHBondContact O-N 3Å; S232-S236 PolarHBondContact O-OG 2.77Å; D233-S236 WeakPolarHBondContact O-CB 3.33Å; D233-S236 PolarHBondContact O-N 3.17Å; S236-I239 PolarHBondContact O-N 2.86Å; S236-T240 WeakPolarHBondContact O-CB 3.26Å; S236-T240 PolarHBondContact O-N 3.36Å; S236-T240 PolarHBondContact O-OG1 3.41Å
237L95.3Very high84.4Confident0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-60.7-43.5165.3164.665.2000112.1C133 I136 L137 I153 D233 L234 W235 I239 T240 S241 F284C133-L237 HydrophobicContact CB-CD1 4.09Å; I136-L237 HydrophobicContact CB-CD1 4.07Å; I136-L237 HydrophobicContact CD1-CD1 3.81Å; I136-L237 HydrophobicContact CG2-CD1 3.91Å; L137-L237 HydrophobicContact CD1-CD2 4.27Å; L137-L237 HydrophobicContact CD2-CD2 3.4Å; L137-L237 VanDerWaalsContact CD2-CD2 3.4Å; L137-L237 HydrophobicContact CG-CD2 3.56Å; I153-L237 HydrophobicContact CG2-CB 4.31Å; D233-L237 WeakPolarHBondContact O-CB 3.15Å; D233-L237 PolarHBondContact O-N 2.71Å; L234-L237 WeakPolarHBondContact O-CB 3.26Å; W235-L237 VanDerWaalsContact C-N 3.29Å; W235-L237 PolarHBondContact O-N 3.27Å; L237-I239 PolarHBondContact O-N 2.86Å; L237-T240 CarbonylContact O-C 3.55Å; L237-T240 WeakPolarHBondContact O-CB 3.2Å; L237-T240 PolarHBondContact O-N 3.33Å; L237-S241 WeakPolarHBondContact O-CB 3.43Å; L237-S241 PolarHBondContact O-N 3.26Å; L237-S241 PolarHBondContact O-OG 2.74Å; L237-F284 HydrophobicContact CD2-CZ 4.39Å
238G94.5Very high86.6Confident0 Ų012.4 Ų12.40%06%0.062CC..Hα-helixtrans-57.6-44.8174.900000113.2L234 W235 S241 L242L234-G238 PolarHBondContact O-N 3.25Å; W235-G238 CarbonylContact O-C 3.6Å; W235-G238 VanDerWaalsContact O-CA 3.27Å; W235-G238 WeakPolarHBondContact O-CA 3.26Å; W235-G238 PolarHBondContact O-N 3.14Å; G238-S241 VanDerWaalsContact O-CB 3.29Å; G238-S241 WeakPolarHBondContact O-CB 3.25Å; G238-S241 PolarHBondContact O-N 2.87Å; G238-L242 PolarHBondContact O-N 2.85Å; G238-L242 VanDerWaalsContact O-N 3.13Å
239I93.5Very high88.1Confident0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-68.9-37174.9-54.2-63.5000111.5S211 R212 W235 S236 L237 S241 L242 E243 P249 P250 P269 L289S211-I239 WeakPolarHBondContact O-CG1 3.25Å; R212-I239 HydrophobicContact CB-CG2 4.3Å; R212-I239 HydrophobicContact CG-CB 4.39Å; R212-I239 HydrophobicContact CG-CG2 3.79Å; W235-I239 HydrophobicContact CZ2-CD1 4.49Å; W235-I239 PolarHBondContact O-N 3.47Å; S236-I239 PolarHBondContact O-N 2.86Å; L237-I239 PolarHBondContact O-N 2.86Å; I239-S241 PolarHBondContact O-N 2.73Å; I239-L242 HydrophobicContact CD1-CD1 4.38Å; I239-L242 WeakPolarHBondContact O-CB 3.18Å; I239-L242 PolarHBondContact O-N 3.41Å; I239-L242 VanDerWaalsContact O-N 3.16Å; I239-E243 PolarHBondContact O-N 3.2Å; I239-P249 HydrophobicContact CG2-CB 3.48Å; I239-P249 VanDerWaalsContact CG2-CB 3.48Å; I239-P250 HydrophobicContact CD1-CG 4.34Å; I239-P269 HydrophobicContact CD1-CB 4.41Å; I239-P269 HydrophobicContact CD1-CG 4.05Å; I239-L289 HydrophobicContact CD1-CD1 3.95Å; I239-L289 HydrophobicContact CD1-CD2 3.73Å; I239-L289 HydrophobicContact CG1-CD2 4.03Å
240T94.2Very high88.7Confident0 Ų08.8 Ų8.80%05%0.047CC..Hα-helixtrans-63.5-29.5172.8-56.50000111.8K154 S236 L237 E243 M244K154-T240 WeakPolarHBondContact CA-OG1 3.48Å; S236-T240 WeakPolarHBondContact O-CB 3.26Å; S236-T240 PolarHBondContact O-N 3.36Å; S236-T240 PolarHBondContact O-OG1 3.41Å; L237-T240 CarbonylContact O-C 3.55Å; L237-T240 WeakPolarHBondContact O-CB 3.2Å; L237-T240 PolarHBondContact O-N 3.33Å; T240-E243 WeakPolarHBondContact O-CB 3.4Å; T240-E243 PolarHBondContact O-N 2.84Å; T240-M244 HydrophobicContact CG2-CE 4.48Å; T240-M244 WeakPolarHBondContact O-CG 3.45Å; T240-M244 PolarHBondContact O-N 3.47Å
241S95.5Very high88.6Confident0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-70.3-38.2173.6-520000111.8C133 L237 G238 I239 A245C133-S241 PolarHBondContact SG-OG 2.91Å; L237-S241 WeakPolarHBondContact O-CB 3.43Å; L237-S241 PolarHBondContact O-N 3.26Å; L237-S241 PolarHBondContact O-OG 2.74Å; G238-S241 VanDerWaalsContact O-CB 3.29Å; G238-S241 WeakPolarHBondContact O-CB 3.25Å; G238-S241 PolarHBondContact O-N 2.87Å; I239-S241 PolarHBondContact O-N 2.73Å; S241-A245 WeakPolarHBondContact O-CB 3.3Å; S241-A245 PolarHBondContact O-N 2.82Å; S241-A245 VanDerWaalsContact O-N 3.17Å
242L93.2Very high87.9Confident0 Ų010.1 Ų10.10%06%0.056CC..Hα-helixtrans-66.9-39.9170.7-64.1179.6000111.9G238 I239 M244 A245 E246 P250 P269 L271 I285 L289G238-L242 PolarHBondContact O-N 2.85Å; G238-L242 VanDerWaalsContact O-N 3.13Å; I239-L242 HydrophobicContact CD1-CD1 4.38Å; I239-L242 WeakPolarHBondContact O-CB 3.18Å; I239-L242 PolarHBondContact O-N 3.41Å; I239-L242 VanDerWaalsContact O-N 3.16Å; L242-M244 PolarHBondContact O-N 2.89Å; L242-A245 PolarHBondContact O-N 2.84Å; L242-A245 VanDerWaalsContact O-N 3.14Å; L242-E246 PolarHBondContact O-N 2.78Å; L242-P250 HydrophobicContact CD1-CG 3.67Å; L242-P269 HydrophobicContact CD1-CB 3.77Å; L242-L271 HydrophobicContact CD2-CD2 3.49Å; L242-L271 VanDerWaalsContact CD2-CD2 3.49Å; L242-L271 HydrophobicContact CD2-CG 3.76Å; L242-I285 HydrophobicContact CD2-CD1 3.86Å; L242-I285 HydrophobicContact CD2-CG1 4.18Å; L242-I285 HydrophobicContact CD2-CG2 4.11Å; L242-I285 HydrophobicContact CG-CD1 4.14Å; L242-L289 HydrophobicContact CD1-CD1 3.8Å
243E93.6Very high87.2Confident3 Ų316.3 Ų16.31%0.0149%0.089CC..Hα-helixtrans-57.6-44.5174.2172.5175.3-168.700112T113 G155 R212 I239 T240 A245 G247 P249T113-E243 PolarHBondContact OG1-OE1 3.28Å; G155-E243 PolarHBondContact N-OE2 3.32Å; R212-E243 IonicContact CZ-OE1 2.83Å; R212-E243 IonicContact CZ-OE2 3.78Å; R212-E243 VanDerWaalsContact CZ-OE2 3.23Å; R212-E243 IonicContact NE-OE2 2.74Å; R212-E243 PolarHBondContact NE-OE2 2.92Å; R212-E243 IonicContact NH2-OE1 2.71Å; R212-E243 PolarHBondContact NH2-OE1 2.95Å; R212-E243 IonicContact NH2-OE2 2.89Å; R212-E243 PolarHBondContact NH2-OE2 3.14Å; I239-E243 PolarHBondContact O-N 3.2Å; T240-E243 WeakPolarHBondContact O-CB 3.4Å; T240-E243 PolarHBondContact O-N 2.84Å; E243-A245 VanDerWaalsContact C-N 3.32Å; E243-A245 PolarHBondContact O-N 2.79Å; E243-G247 WeakPolarHBondContact O-CA 2.98Å; E243-G247 PolarHBondContact O-N 2.82Å; E243-P249 HydrophobicContact CB-CB 4.45Å
244M94Very high86Confident0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-68.6-29175.5-69.9-172.4-82.800113.9V112 V116 L124 I129 I132 C133 T240 L242V112-M244 HydrophobicContact CG1-CG 3.53Å; V112-M244 HydrophobicContact CG1-SD 3.5Å; V112-M244 VanDerWaalsContact CG1-SD 3.5Å; V116-M244 HydrophobicContact CG2-CB 4.33Å; V116-M244 HydrophobicContact CG2-CG 4.08Å; L124-M244 HydrophobicContact CD1-CB 4.07Å; L124-M244 HydrophobicContact CD1-CG 3.99Å; L124-M244 HydrophobicContact CD1-SD 4.02Å; L124-M244 HydrophobicContact CG-CB 4.39Å; L124-M244 PolarHBondContact N-O 2.92Å; I129-M244 HydrophobicContact CD1-CB 4.18Å; I129-M244 HydrophobicContact CG1-CB 3.88Å; I129-M244 HydrophobicContact CG2-CE 4.09Å; I132-M244 HydrophobicContact CB-CE 4.17Å; I132-M244 HydrophobicContact CB-SD 3.9Å; I132-M244 HydrophobicContact CD1-SD 3.74Å; I132-M244 HydrophobicContact CG1-SD 4.43Å; I132-M244 HydrophobicContact CG2-CE 3.8Å; I132-M244 HydrophobicContact CG2-SD 3.66Å; C133-M244 VanDerWaalsContact SG-CE 3.55Å; T240-M244 HydrophobicContact CG2-CE 4.48Å; T240-M244 WeakPolarHBondContact O-CG 3.45Å; T240-M244 PolarHBondContact O-N 3.47Å; L242-M244 PolarHBondContact O-N 2.89Å
245A92.8Very high83.9Confident1 Ų120.7 Ų20.71%0.00811%0.11CC..Hα-helixtrans-78.9-39.4179.400000112.7S123 I129 S241 L242 E243 L271 W277 F281S123-A245 WeakPolarHBondContact CB-O 3.3Å; S123-A245 PolarHBondContact OG-O 3.05Å; I129-A245 HydrophobicContact CD1-CB 3.99Å; S241-A245 WeakPolarHBondContact O-CB 3.3Å; S241-A245 PolarHBondContact O-N 2.82Å; S241-A245 VanDerWaalsContact O-N 3.17Å; L242-A245 PolarHBondContact O-N 2.84Å; L242-A245 VanDerWaalsContact O-N 3.14Å; E243-A245 VanDerWaalsContact C-N 3.32Å; E243-A245 PolarHBondContact O-N 2.79Å; A245-L271 HydrophobicContact CB-CD2 3.68Å; A245-W277 HydrophobicContact CB-CH2 3.93Å; A245-W277 HydrophobicContact CB-CZ2 3.6Å; A245-W277 VanDerWaalsContact O-CZ2 3.31Å; A245-W277 WeakPolarHBondContact O-CZ2 3.41Å; A245-F281 HydrophobicContact CB-CE1 3.86Å; A245-F281 HydrophobicContact CB-CZ 3.99Å
246E88.3Confident82Confident44 Ų4421 Ų2121%0.20611%0.112CC..Hα-helixtrans-120.32.4-165.9-53.9-167.2160.900114.6L242 Q248 L271 K272L242-E246 PolarHBondContact O-N 2.78Å; E246-Q248 PolarHBondContact O-N 2.82Å; E246-Q248 VanDerWaalsContact O-N 3.15Å; E246-L271 WeakPolarHBondContact OE1-CA 3.05Å; E246-K272 WeakPolarHBondContact OE1-CB 3.3Å; E246-K272 PolarHBondContact OE1-N 3.37Å; E246-K272 WeakPolarHBondContact OE2-CD 3.43Å; E246-K272 WeakPolarHBondContact OE2-CE 3.33Å; E246-K272 WeakPolarHBondContact OE2-CG 3.34Å; E246-K272 IonicContact OE2-NZ 2.69Å; E246-K272 PolarHBondContact OE2-NZ 2.82Å
247G84.3Confident80Confident9 Ų925 Ų259%0.09313%0.131CC..SBendtrans82.7-19.7176.200000114.6A122 E243A122-G247 WeakPolarHBondContact O-CA 3.49Å; A122-G247 PolarHBondContact O-N 3.45Å; E243-G247 WeakPolarHBondContact O-CA 2.98Å; E243-G247 PolarHBondContact O-N 2.82Å
248Q82.9Confident78.4Confident65 Ų6532.6 Ų32.630%0.30416%0.159SC..SBendtrans-144.4150.3173.3-67.1-65.5-69.600109E246 C252E246-Q248 PolarHBondContact O-N 2.82Å; E246-Q248 VanDerWaalsContact O-N 3.15Å; Q248-C252 HydrophobicContact CB-CB 3.91Å; Q248-C252 HydrophobicContact CG-CB 4.41Å
249P81.7Confident76.7Confident0 Ų032.6 Ų32.60%016%0.159CC..  trans-66.3173.2167.632.5-37.5000111.1A209 R212 I239 E243 C252A209-P249 HydrophobicContact CB-CG 3.5Å; A209-P249 VanDerWaalsContact CB-CG 3.5Å; R212-P249 HydrophobicContact CG-CB 4.47Å; I239-P249 HydrophobicContact CG2-CB 3.48Å; I239-P249 VanDerWaalsContact CG2-CB 3.48Å; E243-P249 HydrophobicContact CB-CB 4.45Å; P249-C252 WeakPolarHBondContact O-CB 3.32Å
250P76.1Confident75.2Confident16 Ų1633.7 Ų33.710%0.10417%0.165CC..THydrogen-bonded Turntrans-57165.3170.4-21.233.8000112.6S211 I239 L242 C252 P269S211-P250 WeakPolarHBondContact CB-O 3.41Å; I239-P250 HydrophobicContact CD1-CG 4.34Å; L242-P250 HydrophobicContact CD1-CG 3.67Å; P250-C252 PolarHBondContact O-N 3.38Å; P250-P269 HydrophobicContact CB-CB 4.15Å; P250-P269 HydrophobicContact CB-CG 4.38Å; P250-P269 HydrophobicContact CG-CB 3.53Å; P250-P269 HydrophobicContact CG-CG 4.05Å
251L74.2Confident73.7Confident34 Ų3436.2 Ų36.218%0.17818%0.176CC..THydrogen-bonded Turntrans46.825.4175-36.5178.4000114.5D253 M254 A259 L262 I263L251-D253 PolarHBondContact O-N 2.72Å; L251-M254 HydrophobicContact CB-CB 4.19Å; L251-M254 HydrophobicContact CB-CG 4.02Å; L251-M254 HydrophobicContact CB-SD 4.02Å; L251-M254 HydrophobicContact CD2-SD 3.73Å; L251-M254 HydrophobicContact CG-SD 4.33Å; L251-M254 WeakPolarHBondContact O-CB 3.44Å; L251-M254 PolarHBondContact O-N 3.02Å; L251-M254 VanDerWaalsContact O-N 3.08Å; L251-A259 HydrophobicContact CB-CB 4.18Å; L251-A259 HydrophobicContact CD1-CB 4.09Å; L251-L262 HydrophobicContact CD1-CB 4.33Å; L251-I263 HydrophobicContact CD1-CG1 4.1Å
252C68Low72.5Confident25 Ų2537.7 Ų37.717%0.16918%0.184CC..THydrogen-bonded Turntrans-67.3-26.4-172.856.20000113.7P208 A209 Q248 P249 P250P208-C252 CarbonylContact C-O 3.53Å; A209-C252 HydrophobicContact CB-CB 4.4Å; A209-C252 PolarHBondContact N-O 2.84Å; Q248-C252 HydrophobicContact CB-CB 3.91Å; Q248-C252 HydrophobicContact CG-CB 4.41Å; P249-C252 WeakPolarHBondContact O-CB 3.32Å; P250-C252 PolarHBondContact O-N 3.38Å
253D67.2Low71.5Confident134 Ų13438.2 Ų38.272%0.71719%0.187SC*.THydrogen-bonded Turntrans-84.5-13.7176.755.5-46000112.9L251L251-D253 PolarHBondContact O-N 2.72Å
254M63Low70.4Confident43 Ų4339.5 Ų39.521%0.21220%0.196CC..SBendtrans-92148.6-174.6-55.2-161.88000112.7L251 R258 L262L251-M254 HydrophobicContact CB-CB 4.19Å; L251-M254 HydrophobicContact CB-CG 4.02Å; L251-M254 HydrophobicContact CB-SD 4.02Å; L251-M254 HydrophobicContact CD2-SD 3.73Å; L251-M254 HydrophobicContact CG-SD 4.33Å; L251-M254 WeakPolarHBondContact O-CB 3.44Å; L251-M254 PolarHBondContact O-N 3.02Å; L251-M254 VanDerWaalsContact O-N 3.08Å; M254-R258 HydrophobicContact CE-CG 4.12Å; M254-L262 HydrophobicContact CE-CD1 3.61Å; M254-L262 HydrophobicContact SD-CD1 3.83Å
255H47.5Very low69.4Low48 Ų4844.2 Ų44.222%0.22221%0.213CC..  trans-64.3136.8174-168.3-95.1000110.7M257 R258 A259 Y879 M883H255-M257 PolarHBondContact O-N 2.82Å; H255-R258 CarbonylContact O-C 3.4Å; H255-R258 WeakPolarHBondContact O-CA 3.42Å; H255-R258 VanDerWaalsContact O-CB 3.29Å; H255-R258 WeakPolarHBondContact O-CB 3.46Å; H255-R258 PolarHBondContact O-N 2.72Å; H255-A259 PolarHBondContact O-N 3.24Å; H255-Y879 AromaticContact NE2-CD1 3.78Å; H255-M883 HydrophobicContact CB-CE 4.49Å; H255-M883 VanDerWaalsContact CE1-SD 3.59Å; H255-M883 PolarHBondContact NE2-SD 3.34Å
256P51.9Low68.8Low10 Ų1047 Ų477%0.06523%0.228CC..Hα-helixtrans-69.6-33.8-162.9-29.443.1000114.9N210 R258 A259 L260 Y879N210-P256 HydrophobicContact CB-CB 3.78Å; N210-P256 HydrophobicContact CB-CG 3.64Å; N210-P256 WeakPolarHBondContact OD1-CG 3.27Å; P256-R258 PolarHBondContact O-N 3.18Å; P256-A259 WeakPolarHBondContact O-CB 3.3Å; P256-A259 PolarHBondContact O-N 2.82Å; P256-L260 WeakPolarHBondContact O-CB 3.43Å; P256-L260 VanDerWaalsContact O-CG 3.28Å; P256-L260 WeakPolarHBondContact O-CG 3.42Å; P256-L260 PolarHBondContact O-N 2.9Å; P256-Y879 HydrophobicContact CB-CE1 4.1Å; P256-Y879 HydrophobicContact CB-CE2 4.29Å; P256-Y879 WeakPolarHBondContact CB-OH 3.46Å; P256-Y879 HydrophobicContact CG-CE1 3.55Å; P256-Y879 VanDerWaalsContact CG-OH 3.25Å; P256-Y879 WeakPolarHBondContact CG-OH 3.48Å
257M48.4Very low68.6Low92 Ų9249.7 Ų49.745%0.45325%0.249SC..Hα-helixtrans-54.7-34.8168.6-65.5-60.9-61.100112.3H255 F261H255-M257 PolarHBondContact O-N 2.82Å; M257-F261 WeakPolarHBondContact O-CB 3.45Å; M257-F261 PolarHBondContact O-N 3.47Å; M257-F261 VanDerWaalsContact O-N 3.12Å
258R62.1Low68.7Low160 Ų16051.3 Ų51.360%0.60426%0.258SS*.Hα-helixtrans-78.8-34.1176-173.4174.5177.5-178.80111.7M254 H255 P256 L262M254-R258 HydrophobicContact CE-CG 4.12Å; H255-R258 CarbonylContact O-C 3.4Å; H255-R258 WeakPolarHBondContact O-CA 3.42Å; H255-R258 VanDerWaalsContact O-CB 3.29Å; H255-R258 WeakPolarHBondContact O-CB 3.46Å; H255-R258 PolarHBondContact O-N 2.72Å; P256-R258 PolarHBondContact O-N 3.18Å; R258-L262 HydrophobicContact CG-CD1 3.91Å; R258-L262 HydrophobicContact CG-CG 4.41Å; R258-L262 VanDerWaalsContact O-CB 3.28Å; R258-L262 WeakPolarHBondContact O-CB 3.08Å; R258-L262 WeakPolarHBondContact O-CD1 3.29Å; R258-L262 WeakPolarHBondContact O-CG 3.14Å; R258-L262 PolarHBondContact O-N 3.28Å; R258-L262 VanDerWaalsContact O-N 3.08Å
259A58.2Low68.9Low0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-63.4-46.2171.600000111.2N210 L251 H255 P256 F261 L262 I263N210-A259 WeakPolarHBondContact O-CB 3.21Å; L251-A259 HydrophobicContact CB-CB 4.18Å; L251-A259 HydrophobicContact CD1-CB 4.09Å; H255-A259 PolarHBondContact O-N 3.24Å; P256-A259 WeakPolarHBondContact O-CB 3.3Å; P256-A259 PolarHBondContact O-N 2.82Å; A259-F261 PolarHBondContact O-N 3.05Å; A259-L262 CarbonylContact O-C 3.51Å; A259-L262 PolarHBondContact O-N 3.18Å; A259-I263 WeakPolarHBondContact O-CD1 3.47Å; A259-I263 VanDerWaalsContact O-CG1 3.26Å; A259-I263 WeakPolarHBondContact O-CG1 3.28Å; A259-I263 PolarHBondContact O-N 3.25Å
260L62.6Low69.3Low23 Ų2356.3 Ų56.312%0.1228%0.278CS..Hα-helixtrans-57.6-47.4175-68.7166000112F187 M213 I218 P256 L262 P264F187-L260 HydrophobicContact CD1-CD1 4.5Å; F187-L260 HydrophobicContact CE1-CD1 3.7Å; F187-L260 HydrophobicContact CE1-CD2 3.64Å; F187-L260 HydrophobicContact CE1-CG 4.33Å; F187-L260 HydrophobicContact CE2-CD1 4.07Å; F187-L260 HydrophobicContact CZ-CD1 3.46Å; F187-L260 VanDerWaalsContact CZ-CD1 3.46Å; F187-L260 HydrophobicContact CZ-CD2 3.74Å; F187-L260 HydrophobicContact CZ-CG 4.19Å; M213-L260 HydrophobicContact SD-CD2 3.6Å; M213-L260 VanDerWaalsContact SD-CD2 3.6Å; I218-L260 HydrophobicContact CD1-CD2 4.09Å; I218-L260 HydrophobicContact CG1-CD2 4.2Å; P256-L260 WeakPolarHBondContact O-CB 3.43Å; P256-L260 VanDerWaalsContact O-CG 3.28Å; P256-L260 WeakPolarHBondContact O-CG 3.42Å; P256-L260 PolarHBondContact O-N 2.9Å; L260-L262 PolarHBondContact O-N 3.37Å; L260-P264 WeakPolarHBondContact O-CD 3.25Å
261F61.3Low70Confident53 Ų5355.8 Ų55.823%0.23227%0.274CS..Hα-helixtrans-60.2-33.1174.5-179.5-96.3000113.4M257 A259 R265M257-F261 WeakPolarHBondContact O-CB 3.45Å; M257-F261 PolarHBondContact O-N 3.47Å; M257-F261 VanDerWaalsContact O-N 3.12Å; A259-F261 PolarHBondContact O-N 3.05Å; F261-R265 VanDerWaalsContact CE2-CZ 3.44Å; F261-R265 WeakPolarHBondContact O-CD 3.34Å; F261-R265 PolarHBondContact O-NH1 3.04Å; F261-R265 VanDerWaalsContact O-NH1 3.12Å
262L72Confident70.5Confident31 Ų3160.7 Ų60.716%0.16229%0.294CS..Hα-helixtrans-87.6-28.4-175.5-73.4173.4000114.4L251 M254 R258 A259 L260 R265 N266L251-L262 HydrophobicContact CD1-CB 4.33Å; M254-L262 HydrophobicContact CE-CD1 3.61Å; M254-L262 HydrophobicContact SD-CD1 3.83Å; R258-L262 HydrophobicContact CG-CD1 3.91Å; R258-L262 HydrophobicContact CG-CG 4.41Å; R258-L262 VanDerWaalsContact O-CB 3.28Å; R258-L262 WeakPolarHBondContact O-CB 3.08Å; R258-L262 WeakPolarHBondContact O-CD1 3.29Å; R258-L262 WeakPolarHBondContact O-CG 3.14Å; R258-L262 PolarHBondContact O-N 3.28Å; R258-L262 VanDerWaalsContact O-N 3.08Å; A259-L262 CarbonylContact O-C 3.51Å; A259-L262 PolarHBondContact O-N 3.18Å; L260-L262 PolarHBondContact O-N 3.37Å; L262-R265 PolarHBondContact O-N 2.7Å; L262-R265 VanDerWaalsContact O-N 3.1Å; L262-N266 VanDerWaalsContact O-CB 3.25Å; L262-N266 WeakPolarHBondContact O-CB 3.02Å; L262-N266 PolarHBondContact O-N 2.99Å
263I72.2Confident71.3Confident11 Ų1164.5 Ų64.56%0.05631%0.312CS..THydrogen-bonded Turntrans-61.6-44.5-177.3-70.5154.3000112.5P215 I218 W235 L251 A259 R265P215-I263 HydrophobicContact CG-CG2 4.27Å; I218-I263 HydrophobicContact CD1-CB 3.65Å; I218-I263 HydrophobicContact CD1-CD1 3.95Å; I218-I263 HydrophobicContact CD1-CG1 4.43Å; I218-I263 HydrophobicContact CD1-CG2 3.62Å; W235-I263 HydrophobicContact CZ2-CG2 4.21Å; L251-I263 HydrophobicContact CD1-CG1 4.1Å; A259-I263 WeakPolarHBondContact O-CD1 3.47Å; A259-I263 VanDerWaalsContact O-CG1 3.26Å; A259-I263 WeakPolarHBondContact O-CG1 3.28Å; A259-I263 PolarHBondContact O-N 3.25Å; I263-R265 VanDerWaalsContact C-N 3.29Å; I263-R265 PolarHBondContact O-N 3.21Å
264P69.4Low71.8Confident31 Ų3162 Ų6220%0.20130%0.303CS..THydrogen-bonded Turntrans-69.4-22.8173.4-21.334.5000113.8I218 L260 K291I218-P264 HydrophobicContact CB-CG 4.01Å; I218-P264 HydrophobicContact CD1-CG 4.24Å; I218-P264 HydrophobicContact CG2-CG 3.64Å; L260-P264 WeakPolarHBondContact O-CD 3.25Å; P264-K291 VanDerWaalsContact O-CE 3.3Å; P264-K291 WeakPolarHBondContact O-CE 3.28Å; P264-K291 PolarHBondContact O-NZ 2.77Å
265R74.3Confident72.8Confident98 Ų9870 Ų7037%0.3734%0.337SS..THydrogen-bonded Turntrans-94.4-45.9-173.5-69.5179.4173.371.19.3113.3F261 L262 I263F261-R265 VanDerWaalsContact CE2-CZ 3.44Å; F261-R265 WeakPolarHBondContact O-CD 3.34Å; F261-R265 PolarHBondContact O-NH1 3.04Å; F261-R265 VanDerWaalsContact O-NH1 3.12Å; L262-R265 PolarHBondContact O-N 2.7Å; L262-R265 VanDerWaalsContact O-N 3.1Å; I263-R265 VanDerWaalsContact C-N 3.29Å; I263-R265 PolarHBondContact O-N 3.21Å
266N78.9Confident74.8Confident59 Ų5972.9 Ų72.932%0.31635%0.349SS..SBendtrans-61.8158.8179.2-75.7-2.4000112.7L262 K291L262-N266 VanDerWaalsContact O-CB 3.25Å; L262-N266 WeakPolarHBondContact O-CB 3.02Å; L262-N266 PolarHBondContact O-N 2.99Å; N266-K291 WeakPolarHBondContact O-CD 3.5Å; N266-K291 WeakPolarHBondContact O-CE 2.99Å; N266-K291 PolarHBondContact O-NZ 3.2Å
267P83.6Confident76.7Confident101 Ų10173.5 Ų73.566%0.65635%0.35SS*.PPolyproline II helixtrans-62.5162.3164.429-36.1000111.5
268P86.2Confident78.8Confident44 Ų4471.2 Ų71.229%0.28634%0.343SS..PPolyproline II helixtrans-46.4132.5170.8-2934.4000112.7L289 K291P268-L289 HydrophobicContact CB-CB 4.36Å; P268-L289 WeakPolarHBondContact CB-O 3.42Å; P268-K291 HydrophobicContact CG-CD 4.31Å; P268-K291 HydrophobicContact CG-CG 4.14Å
269P88.6Confident80.3Confident29 Ų2972.9 Ų72.919%0.18835%0.354CS..PPolyproline II helixtrans-59145.7171-2434.1000112.2I239 L242 P250 L289I239-P269 HydrophobicContact CD1-CB 4.41Å; I239-P269 HydrophobicContact CD1-CG 4.05Å; L242-P269 HydrophobicContact CD1-CB 3.77Å; P250-P269 HydrophobicContact CB-CB 4.15Å; P250-P269 HydrophobicContact CB-CG 4.38Å; P250-P269 HydrophobicContact CG-CB 3.53Å; P250-P269 HydrophobicContact CG-CG 4.05Å; P269-L289 HydrophobicContact CB-CD1 4.07Å; P269-L289 HydrophobicContact CG-CD1 4.45Å; P269-L289 WeakPolarHBondContact O-CD1 3.37Å
270R89.6Confident82Confident140 Ų14077.1 Ų77.153%0.52837%0.373SS..  trans-139157-174.5-72.1169.2171.2-80.7-2110.1K272 E286R270-K272 PolarHBondContact O-N 3.3Å; R270-E286 IonicContact CZ-OE1 3.19Å; R270-E286 VanDerWaalsContact CZ-OE1 3.27Å; R270-E286 IonicContact NH1-OE1 2.76Å; R270-E286 PolarHBondContact NH1-OE1 2.85Å; R270-E286 IonicContact NH2-OE1 3.19Å; R270-E286 PolarHBondContact NH2-OE1 2.97Å
271L89.9Confident83.6Confident5 Ų576 Ų763%0.02637%0.367CS..  trans-63.1118.6177.6-68.8160.6000110.6L242 A245 E246 I273 W277 F281 I285L242-L271 HydrophobicContact CD2-CD2 3.49Å; L242-L271 VanDerWaalsContact CD2-CD2 3.49Å; L242-L271 HydrophobicContact CD2-CG 3.76Å; A245-L271 HydrophobicContact CB-CD2 3.68Å; E246-L271 WeakPolarHBondContact OE1-CA 3.05Å; L271-I273 PolarHBondContact O-N 2.98Å; L271-I273 VanDerWaalsContact O-N 3.16Å; L271-W277 HydrophobicContact CD1-CB 4.05Å; L271-W277 HydrophobicContact CD1-CG 3.95Å; L271-F281 HydrophobicContact CD1-CD1 3.82Å; L271-F281 HydrophobicContact CD1-CE1 3.91Å; L271-F281 HydrophobicContact CD1-CG 4.2Å; L271-F281 HydrophobicContact CD1-CZ 4.39Å; L271-F281 HydrophobicContact CD2-CE1 3.94Å; L271-F281 HydrophobicContact CD2-CZ 4.22Å; L271-I285 HydrophobicContact CD1-CG1 4.12Å; L271-I285 HydrophobicContact CG-CG1 4.36Å
272K85.3Confident85.1Confident138 Ų13875.3 Ų75.360%0.636%0.364SS*.SBendtrans-60.8-23.9-173.4-64.9-180-172.7104.70114.2E246 R270 P274E246-K272 WeakPolarHBondContact OE1-CB 3.3Å; E246-K272 PolarHBondContact OE1-N 3.37Å; E246-K272 WeakPolarHBondContact OE2-CD 3.43Å; E246-K272 WeakPolarHBondContact OE2-CE 3.33Å; E246-K272 WeakPolarHBondContact OE2-CG 3.34Å; E246-K272 IonicContact OE2-NZ 2.69Å; E246-K272 PolarHBondContact OE2-NZ 2.82Å; R270-K272 PolarHBondContact O-N 3.3Å; K272-P274 WeakPolarHBondContact O-CD 3.44Å
273I84.3Confident86.2Confident104 Ų10475.9 Ų75.953%0.53337%0.371SS..  trans-121.882.5-179.8-50.5177.9000109L271 K275 K276L271-I273 PolarHBondContact O-N 2.98Å; L271-I273 VanDerWaalsContact O-N 3.16Å; I273-K275 VanDerWaalsContact C-N 3.28Å; I273-K275 PolarHBondContact O-N 3.08Å; I273-K276 HydrophobicContact CB-CB 4.26Å; I273-K276 HydrophobicContact CG2-CB 3.91Å; I273-K276 WeakPolarHBondContact O-CB 3.4Å; I273-K276 PolarHBondContact O-N 3.3Å; I273-K276 VanDerWaalsContact O-N 3.13Å
274P78.3Confident87.3Confident83 Ų8375.4 Ų75.454%0.53937%0.368SS..G310 helixtrans-59.9-34.6-170.4-2836000114.6K272 K276 H282K272-P274 WeakPolarHBondContact O-CD 3.44Å; P274-K276 VanDerWaalsContact C-N 3.25Å; P274-K276 PolarHBondContact O-N 3.07Å; P274-H282 PolarHBondContact O-NE2 2.79Å
275K84.6Confident88.5Confident211 Ų21174 Ų7492%0.91736%0.36SS*.G310 helixtrans-71.7-10.1-178.8-62.9-175.8179.9-179.80114.8I273I273-K275 VanDerWaalsContact C-N 3.28Å; I273-K275 PolarHBondContact O-N 3.08Å
276K88.7Confident89.4Confident107 Ų10773.6 Ų73.647%0.46536%0.362SS..G310 helixtrans-81.4-26.1-179.7177.7177.9169.6-172.20113.1S123 I273 P274S123-K276 PolarHBondContact OG-NZ 2.89Å; I273-K276 HydrophobicContact CB-CB 4.26Å; I273-K276 HydrophobicContact CG2-CB 3.91Å; I273-K276 WeakPolarHBondContact O-CB 3.4Å; I273-K276 PolarHBondContact O-N 3.3Å; I273-K276 VanDerWaalsContact O-N 3.13Å; P274-K276 VanDerWaalsContact C-N 3.25Å; P274-K276 PolarHBondContact O-N 3.07Å
277W92.1Very high90.1Very high23 Ų2372.7 Ų72.79%0.08736%0.358CS..SBendtrans-118.6150.1-163.7-56.6111.4000111.7E126 I129 A245 L271 F281E126-W277 HydrophobicContact CB-CE3 4.2Å; E126-W277 HydrophobicContact CB-CZ3 4.17Å; E126-W277 HydrophobicContact CG-CE3 4.42Å; I129-W277 HydrophobicContact CD1-CH2 4.13Å; I129-W277 HydrophobicContact CD1-CZ3 4.09Å; A245-W277 HydrophobicContact CB-CH2 3.93Å; A245-W277 HydrophobicContact CB-CZ2 3.6Å; A245-W277 VanDerWaalsContact O-CZ2 3.31Å; A245-W277 WeakPolarHBondContact O-CZ2 3.41Å; L271-W277 HydrophobicContact CD1-CB 4.05Å; L271-W277 HydrophobicContact CD1-CG 3.95Å; W277-F281 HydrophobicContact CB-CD1 3.96Å; W277-F281 AromaticContact CD2-CD1 3.86Å; W277-F281 HydrophobicContact CD2-CD1 3.86Å; W277-F281 AromaticContact CD2-CE1 3.94Å; W277-F281 HydrophobicContact CD2-CE1 3.94Å; W277-F281 AromaticContact CE3-CD1 3.7Å; W277-F281 HydrophobicContact CE3-CD1 3.7Å; W277-F281 AromaticContact CE3-CE1 3.84Å; W277-F281 HydrophobicContact CE3-CE1 3.84Å; W277-F281 HydrophobicContact CG-CD1 4Å; W277-F281 HydrophobicContact CG-CE1 4.36Å; W277-F281 HydrophobicContact CZ3-CD1 4.44Å; W277-F281 HydrophobicContact CZ3-CE1 4.21Å
278S93.7Very high90.5Very high44 Ų4467.9 Ų67.931%0.30833%0.327SS..  trans-69.3157.4-17889.20000112.5E126 K280 F281 H282E126-S278 WeakPolarHBondContact OE1-CB 3.36Å; E126-S278 PolarHBondContact OE1-OG 2.67Å; E126-S278 PolarHBondContact OE2-N 3.08Å; S278-K280 PolarHBondContact O-N 3.48Å; S278-K280 VanDerWaalsContact O-N 3.17Å; S278-K280 WeakPolarHBondContact OG-CB 3.17Å; S278-K280 PolarHBondContact OG-N 2.84Å; S278-K280 VanDerWaalsContact OG-N 3.13Å; S278-F281 PolarHBondContact O-N 3.12Å; S278-F281 PolarHBondContact OG-N 3.41Å; S278-H282 PolarHBondContact O-CD2 3.18Å; S278-H282 PolarHBondContact O-N 2.88Å; S278-H282 VanDerWaalsContact O-N 3.13Å
279K93Very high90.8Very high195 Ų19565.9 Ų65.985%0.84831%0.314SS*.Hα-helixtrans-57.3-27.2171.4-65-175.5178.8-177.40112.5S283K279-S283 VanDerWaalsContact O-CB 3.31Å; K279-S283 WeakPolarHBondContact O-CB 3.44Å; K279-S283 PolarHBondContact O-N 3.23Å; K279-S283 VanDerWaalsContact O-N 3.09Å
280K94.2Very high90.9Very high90 Ų9066.2 Ų66.239%0.39132%0.316SS..Hα-helixtrans-69.2-42.7175.4-59.2-170.6-174.4-173.20111S278 S283 F284 H305 P306 F307 D310S278-K280 PolarHBondContact O-N 3.48Å; S278-K280 VanDerWaalsContact O-N 3.17Å; S278-K280 WeakPolarHBondContact OG-CB 3.17Å; S278-K280 PolarHBondContact OG-N 2.84Å; S278-K280 VanDerWaalsContact OG-N 3.13Å; K280-S283 PolarHBondContact O-N 3.42Å; K280-F284 PolarHBondContact O-N 3.22Å; K280-H305 VanDerWaalsContact C-CE1 3.43Å; K280-H305 PolarHBondContact O-CE1 3.44Å; K280-P306 HydrophobicContact CD-CB 4.1Å; K280-P306 HydrophobicContact CG-CB 4.43Å; K280-F307 HydrophobicContact CB-CB 4.25Å; K280-F307 HydrophobicContact CB-CD2 4.35Å; K280-D310 VanDerWaalsContact NZ-CB 3.32Å; K280-D310 IonicContact NZ-OD2 2.65Å; K280-D310 PolarHBondContact NZ-OD2 2.88Å
281F95Very high90.5Very high0 Ų062.5 Ų62.50%030%0.303CS..Hα-helixtrans-69.5-41.5179.6-170.8-158.6000112.2E126 I129 A245 L271 W277 S278 S283 F284 I285 F307E126-F281 HydrophobicContact CG-CB 4.21Å; E126-F281 HydrophobicContact CG-CD1 4.12Å; E126-F281 HydrophobicContact CG-CG 4.34Å; I129-F281 HydrophobicContact CD1-CE1 4.03Å; I129-F281 HydrophobicContact CD1-CZ 4.13Å; I129-F281 HydrophobicContact CG2-CE2 3.98Å; I129-F281 HydrophobicContact CG2-CZ 3.82Å; A245-F281 HydrophobicContact CB-CE1 3.86Å; A245-F281 HydrophobicContact CB-CZ 3.99Å; L271-F281 HydrophobicContact CD1-CD1 3.82Å; L271-F281 HydrophobicContact CD1-CE1 3.91Å; L271-F281 HydrophobicContact CD1-CG 4.2Å; L271-F281 HydrophobicContact CD1-CZ 4.39Å; L271-F281 HydrophobicContact CD2-CE1 3.94Å; L271-F281 HydrophobicContact CD2-CZ 4.22Å; W277-F281 HydrophobicContact CB-CD1 3.96Å; W277-F281 AromaticContact CD2-CD1 3.86Å; W277-F281 HydrophobicContact CD2-CD1 3.86Å; W277-F281 AromaticContact CD2-CE1 3.94Å; W277-F281 HydrophobicContact CD2-CE1 3.94Å; W277-F281 AromaticContact CE3-CD1 3.7Å; W277-F281 HydrophobicContact CE3-CD1 3.7Å; W277-F281 AromaticContact CE3-CE1 3.84Å; W277-F281 HydrophobicContact CE3-CE1 3.84Å; W277-F281 HydrophobicContact CG-CD1 4Å; W277-F281 HydrophobicContact CG-CE1 4.36Å; W277-F281 HydrophobicContact CZ3-CD1 4.44Å; W277-F281 HydrophobicContact CZ3-CE1 4.21Å; S278-F281 PolarHBondContact O-N 3.12Å; S278-F281 PolarHBondContact OG-N 3.41Å; F281-S283 PolarHBondContact O-N 3.22Å; F281-F284 HydrophobicContact CD2-CD1 4.41Å; F281-F284 HydrophobicContact CE2-CD1 4.47Å; F281-F284 WeakPolarHBondContact O-CB 3.39Å; F281-F284 PolarHBondContact O-N 3.26Å; F281-F284 VanDerWaalsContact O-N 3.15Å; F281-I285 HydrophobicContact CD2-CD1 4.37Å; F281-I285 HydrophobicContact CD2-CG1 3.96Å; F281-I285 HydrophobicContact CE2-CD1 3.66Å; F281-I285 HydrophobicContact CE2-CG1 3.7Å; F281-I285 HydrophobicContact CZ-CD1 4.22Å; F281-I285 HydrophobicContact CZ-CG1 4.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.28Å; F281-I285 PolarHBondContact O-N 3.1Å; F281-F307 HydrophobicContact CB-CD2 3.8Å; F281-F307 HydrophobicContact CB-CE2 3.46Å; F281-F307 VanDerWaalsContact CB-CE2 3.46Å; F281-F307 HydrophobicContact CB-CZ 4.12Å; F281-F307 HydrophobicContact CD1-CE2 4.44Å; F281-F307 HydrophobicContact CD1-CZ 4.46Å; F281-F307 HydrophobicContact CD2-CD1 4.3Å; F281-F307 HydrophobicContact CD2-CD2 4.21Å; F281-F307 AromaticContact CD2-CE1 3.66Å; F281-F307 HydrophobicContact CD2-CE1 3.66Å; F281-F307 AromaticContact CD2-CE2 3.56Å; F281-F307 HydrophobicContact CD2-CE2 3.56Å; F281-F307 AromaticContact CD2-CZ 3.23Å; F281-F307 HydrophobicContact CD2-CZ 3.23Å; F281-F307 HydrophobicContact CE2-CE1 4.01Å; F281-F307 HydrophobicContact CE2-CE2 4.43Å; F281-F307 AromaticContact CE2-CZ 3.71Å; F281-F307 HydrophobicContact CE2-CZ 3.71Å; F281-F307 HydrophobicContact CG-CD2 4.3Å; F281-F307 AromaticContact CG-CE2 3.58Å; F281-F307 HydrophobicContact CG-CE2 3.58Å; F281-F307 AromaticContact CG-CZ 3.7Å; F281-F307 HydrophobicContact CG-CZ 3.7Å
282H93.5Very high90Very high38 Ų3865 Ų6518%0.17632%0.317CS..Hα-helixtrans-55.9-51.6171.1-77.9-72.8000111.7P274 S278 F284 I285 E286P274-H282 PolarHBondContact O-NE2 2.79Å; S278-H282 PolarHBondContact O-CD2 3.18Å; S278-H282 PolarHBondContact O-N 2.88Å; S278-H282 VanDerWaalsContact O-N 3.13Å; H282-F284 PolarHBondContact O-N 3.46Å; H282-I285 PolarHBondContact O-N 3.12Å; H282-E286 WeakPolarHBondContact O-CG 3.5Å; H282-E286 PolarHBondContact O-N 3.48Å
283S94.4Very high89.7Confident43 Ų4360.2 Ų60.230%0.30130%0.295SS..Hα-helixtrans-57.1-36.5176.4175.90000112.5K279 K280 F281 T287 H305K279-S283 VanDerWaalsContact O-CB 3.31Å; K279-S283 WeakPolarHBondContact O-CB 3.44Å; K279-S283 PolarHBondContact O-N 3.23Å; K279-S283 VanDerWaalsContact O-N 3.09Å; K280-S283 PolarHBondContact O-N 3.42Å; F281-S283 PolarHBondContact O-N 3.22Å; S283-T287 VanDerWaalsContact O-CB 3.29Å; S283-T287 WeakPolarHBondContact O-CB 3.46Å; S283-T287 PolarHBondContact O-N 2.81Å; S283-T287 PolarHBondContact O-OG1 3.12Å; S283-H305 VanDerWaalsContact C-CE1 3.41Å; S283-H305 WeakPolarHBondContact CB-CE1 3.42Å; S283-H305 WeakPolarHBondContact CB-NE2 3.19Å; S283-H305 PolarHBondContact O-NE2 3.34Å; S283-H305 PolarHBondContact OG-CE1 2.96Å; S283-H305 PolarHBondContact OG-NE2 3.07Å
284F95.6Very high89.3Confident0 Ų061 Ų610%030%0.296CS..Hα-helixtrans-65.7-50.9175.8-179.4-106.9000111.6C133 L137 L237 K280 F281 H282 E286 T287 V288 L302 H305 F307 I308C133-F284 HydrophobicContact CB-CE1 4.31Å; C133-F284 HydrophobicContact CB-CZ 4.27Å; L137-F284 HydrophobicContact CD1-CE2 4.35Å; L137-F284 HydrophobicContact CD1-CZ 4.43Å; L237-F284 HydrophobicContact CD2-CZ 4.39Å; K280-F284 PolarHBondContact O-N 3.22Å; F281-F284 HydrophobicContact CD2-CD1 4.41Å; F281-F284 HydrophobicContact CE2-CD1 4.47Å; F281-F284 WeakPolarHBondContact O-CB 3.39Å; F281-F284 PolarHBondContact O-N 3.26Å; F281-F284 VanDerWaalsContact O-N 3.15Å; H282-F284 PolarHBondContact O-N 3.46Å; F284-E286 VanDerWaalsContact C-N 3.32Å; F284-E286 PolarHBondContact O-N 3Å; F284-T287 WeakPolarHBondContact O-CB 3.41Å; F284-T287 PolarHBondContact O-N 3.03Å; F284-V288 HydrophobicContact CD2-CG1 4.35Å; F284-V288 HydrophobicContact CE1-CG1 4.29Å; F284-V288 HydrophobicContact CE1-CG2 4.47Å; F284-V288 HydrophobicContact CE2-CG1 3.87Å; F284-V288 HydrophobicContact CZ-CG1 3.84Å; F284-V288 WeakPolarHBondContact O-CG2 3.46Å; F284-V288 PolarHBondContact O-N 3.32Å; F284-L302 HydrophobicContact CE2-CD2 4.35Å; F284-H305 VanDerWaalsContact CA-CE1 3.44Å; F284-H305 WeakPolarHBondContact CA-CE1 3.09Å; F284-H305 VanDerWaalsContact CB-CE1 3.5Å; F284-H305 WeakPolarHBondContact CB-CE1 3.27Å; F284-H305 HydrophobicContact CD2-CB 4.37Å; F284-H305 AromaticContact CD2-ND1 3.92Å; F284-H305 PolarHBondContact N-CE1 3.47Å; F284-H305 PolarHBondContact N-NE2 3.37Å; F284-F307 HydrophobicContact CB-CB 3.76Å; F284-F307 HydrophobicContact CB-CD1 3.67Å; F284-F307 HydrophobicContact CB-CE1 4.47Å; F284-F307 HydrophobicContact CB-CG 3.82Å; F284-F307 AromaticContact CD1-CD1 3.51Å; F284-F307 HydrophobicContact CD1-CD1 3.51Å; F284-F307 AromaticContact CD1-CE1 3.72Å; F284-F307 HydrophobicContact CD1-CE1 3.72Å; F284-F307 HydrophobicContact CD1-CG 4.49Å; F284-F307 HydrophobicContact CD2-CB 4.38Å; F284-F307 AromaticContact CD2-CD1 3.94Å; F284-F307 HydrophobicContact CD2-CD1 3.94Å; F284-F307 HydrophobicContact CE1-CD1 4.11Å; F284-F307 HydrophobicContact CE1-CE1 4.15Å; F284-F307 HydrophobicContact CE2-CD1 4.49Å; F284-F307 HydrophobicContact CG-CB 4.18Å; F284-F307 AromaticContact CG-CD1 3.41Å; F284-F307 HydrophobicContact CG-CD1 3.41Å; F284-F307 VanDerWaalsContact CG-CD1 3.41Å; F284-F307 HydrophobicContact CG-CE1 4.11Å; F284-F307 HydrophobicContact CG-CG 4.07Å; F284-I308 HydrophobicContact CD2-CD1 4.32Å; F284-I308 HydrophobicContact CD2-CG1 3.9Å; F284-I308 HydrophobicContact CE1-CD1 4.5Å; F284-I308 HydrophobicContact CE2-CD1 3.79Å; F284-I308 HydrophobicContact CE2-CG1 3.52Å; F284-I308 HydrophobicContact CZ-CD1 3.89Å; F284-I308 HydrophobicContact CZ-CG1 4.16Å
285I94.8Very high89.7Confident3 Ų363.9 Ų63.92%0.01530%0.302CS..Hα-helixtrans-56.8-44.5177.5-67.1-60.6000111.3L242 L271 F281 H282 T287 V288 L289L242-I285 HydrophobicContact CD2-CD1 3.86Å; L242-I285 HydrophobicContact CD2-CG1 4.18Å; L242-I285 HydrophobicContact CD2-CG2 4.11Å; L242-I285 HydrophobicContact CG-CD1 4.14Å; L271-I285 HydrophobicContact CD1-CG1 4.12Å; L271-I285 HydrophobicContact CG-CG1 4.36Å; F281-I285 HydrophobicContact CD2-CD1 4.37Å; F281-I285 HydrophobicContact CD2-CG1 3.96Å; F281-I285 HydrophobicContact CE2-CD1 3.66Å; F281-I285 HydrophobicContact CE2-CG1 3.7Å; F281-I285 HydrophobicContact CZ-CD1 4.22Å; F281-I285 HydrophobicContact CZ-CG1 4.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.28Å; F281-I285 PolarHBondContact O-N 3.1Å; H282-I285 PolarHBondContact O-N 3.12Å; I285-T287 VanDerWaalsContact C-N 3.31Å; I285-T287 PolarHBondContact O-N 3.28Å; I285-V288 WeakPolarHBondContact O-CG2 3.21Å; I285-V288 PolarHBondContact O-N 2.83Å; I285-L289 HydrophobicContact CG2-CD1 3.92Å; I285-L289 HydrophobicContact CG2-CG 4.48Å; I285-L289 WeakPolarHBondContact O-CB 3.36Å; I285-L289 PolarHBondContact O-N 3.49Å
286E93Very high89.9Confident88 Ų8853.9 Ų53.941%0.41126%0.259SS..Hα-helixtrans-62.8-37.1176-69.3-179.9128.200112.6R270 H282 F284 V290R270-E286 IonicContact CZ-OE1 3.19Å; R270-E286 VanDerWaalsContact CZ-OE1 3.27Å; R270-E286 IonicContact NH1-OE1 2.76Å; R270-E286 PolarHBondContact NH1-OE1 2.85Å; R270-E286 IonicContact NH2-OE1 3.19Å; R270-E286 PolarHBondContact NH2-OE1 2.97Å; H282-E286 WeakPolarHBondContact O-CG 3.5Å; H282-E286 PolarHBondContact O-N 3.48Å; F284-E286 VanDerWaalsContact C-N 3.32Å; F284-E286 PolarHBondContact O-N 3Å; E286-V290 WeakPolarHBondContact O-CG2 3.38Å
287T93.4Very high90Very high41 Ų4149.8 Ų49.825%0.25224%0.243SC..Hα-helixtrans-73.4-31.4-179.6-58.40000112.6S283 F284 I285 P297 L302 H305S283-T287 VanDerWaalsContact O-CB 3.29Å; S283-T287 WeakPolarHBondContact O-CB 3.46Å; S283-T287 PolarHBondContact O-N 2.81Å; S283-T287 PolarHBondContact O-OG1 3.12Å; F284-T287 WeakPolarHBondContact O-CB 3.41Å; F284-T287 PolarHBondContact O-N 3.03Å; I285-T287 VanDerWaalsContact C-N 3.31Å; I285-T287 PolarHBondContact O-N 3.28Å; T287-P297 HydrophobicContact CG2-CG 3.63Å; T287-P297 WeakPolarHBondContact O-CD 3.28Å; T287-L302 HydrophobicContact CG2-CD2 3.71Å; T287-H305 PolarHBondContact OG1-NE2 2.84Å
288V92.5Very high89.8Confident0 Ų053.9 Ų53.90%026%0.259CS..Hα-helixtrans-91.5-28179.2-61.30000113.9F284 I285 V290 R296 L302F284-V288 HydrophobicContact CD2-CG1 4.35Å; F284-V288 HydrophobicContact CE1-CG1 4.29Å; F284-V288 HydrophobicContact CE1-CG2 4.47Å; F284-V288 HydrophobicContact CE2-CG1 3.87Å; F284-V288 HydrophobicContact CZ-CG1 3.84Å; F284-V288 WeakPolarHBondContact O-CG2 3.46Å; F284-V288 PolarHBondContact O-N 3.32Å; I285-V288 WeakPolarHBondContact O-CG2 3.21Å; I285-V288 PolarHBondContact O-N 2.83Å; V288-V290 VanDerWaalsContact C-N 3.32Å; V288-V290 PolarHBondContact O-N 3.11Å; V288-R296 WeakPolarHBondContact O-CD 3.31Å; V288-L302 HydrophobicContact CG1-CD1 3.77Å; V288-L302 HydrophobicContact CG1-CD2 3.53Å; V288-L302 HydrophobicContact CG1-CG 4.3Å
289L92.7Very high89.7Confident1 Ų152 Ų521%0.00525%0.246CC..  trans-95.133.3178.6-58.6-176.2000113.2W235 I239 L242 P268 P269 I285 K291W235-L289 HydrophobicContact CD2-CD2 3.59Å; W235-L289 HydrophobicContact CE3-CB 4.19Å; W235-L289 HydrophobicContact CE3-CD2 3.9Å; W235-L289 HydrophobicContact CG-CD2 3.89Å; W235-L289 HydrophobicContact CH2-CB 4.43Å; W235-L289 HydrophobicContact CZ2-CD2 4.33Å; W235-L289 VanDerWaalsContact CZ3-C 3.46Å; W235-L289 HydrophobicContact CZ3-CB 4.04Å; W235-L289 HydrophobicContact CZ3-CD2 4.38Å; W235-L289 WeakPolarHBondContact CZ3-O 3.32Å; W235-L289 WeakPolarHBondContact O-CD2 3.07Å; I239-L289 HydrophobicContact CD1-CD1 3.95Å; I239-L289 HydrophobicContact CD1-CD2 3.73Å; I239-L289 HydrophobicContact CG1-CD2 4.03Å; L242-L289 HydrophobicContact CD1-CD1 3.8Å; P268-L289 HydrophobicContact CB-CB 4.36Å; P268-L289 WeakPolarHBondContact CB-O 3.42Å; P269-L289 HydrophobicContact CB-CD1 4.07Å; P269-L289 HydrophobicContact CG-CD1 4.45Å; P269-L289 WeakPolarHBondContact O-CD1 3.37Å; I285-L289 HydrophobicContact CG2-CD1 3.92Å; I285-L289 HydrophobicContact CG2-CG 4.48Å; I285-L289 WeakPolarHBondContact O-CB 3.36Å; I285-L289 PolarHBondContact O-N 3.49Å; L289-K291 PolarHBondContact O-N 2.77Å
290V90.2Very high89.5Confident37 Ų3747.5 Ų47.522%0.22423%0.228CC..  trans-67.9121.9167-175.90000108.7E286 V288 D292 Q295 R296E286-V290 WeakPolarHBondContact O-CG2 3.38Å; V288-V290 VanDerWaalsContact C-N 3.32Å; V288-V290 PolarHBondContact O-N 3.11Å; V290-D292 WeakPolarHBondContact CG1-O 3.45Å; V290-Q295 HydrophobicContact CG1-CB 3.79Å; V290-R296 HydrophobicContact CB-CB 4.26Å; V290-R296 HydrophobicContact CB-CG 4.36Å; V290-R296 PolarHBondContact O-NE 3.49Å; V290-R296 PolarHBondContact O-NH2 3Å
291K80.9Confident89.4Confident62 Ų6248.5 Ų48.527%0.2723%0.234SC..SBendtrans-67.1-45.9-175.3-74.8178.666.5-178.60112.6P215 W235 P264 N266 P268 L289 Y293 R296P215-K291 HydrophobicContact CG-CB 4.1Å; P215-K291 HydrophobicContact CG-CG 4Å; W235-K291 HydrophobicContact CH2-CG 3.94Å; W235-K291 HydrophobicContact CZ3-CB 4.48Å; W235-K291 HydrophobicContact CZ3-CG 3.92Å; P264-K291 VanDerWaalsContact O-CE 3.3Å; P264-K291 WeakPolarHBondContact O-CE 3.28Å; P264-K291 PolarHBondContact O-NZ 2.77Å; N266-K291 WeakPolarHBondContact O-CD 3.5Å; N266-K291 WeakPolarHBondContact O-CE 2.99Å; N266-K291 PolarHBondContact O-NZ 3.2Å; P268-K291 HydrophobicContact CG-CD 4.31Å; P268-K291 HydrophobicContact CG-CG 4.14Å; L289-K291 PolarHBondContact O-N 2.77Å; K291-Y293 PolarHBondContact O-N 3.39Å; K291-R296 PolarHBondContact O-NH2 3.47Å
292D79.7Confident89.4Confident57 Ų5748.5 Ų48.531%0.30523%0.234SC..SBendtrans-68.4115.8170.9175.614.2000109.7V290 H294 Q295 R296V290-D292 WeakPolarHBondContact CG1-O 3.45Å; D292-H294 VanDerWaalsContact C-N 3.26Å; D292-H294 PolarHBondContact O-N 2.96Å; D292-H294 WeakPolarHBondContact OD1-CB 3.35Å; D292-H294 IonicContact OD1-CD2 2.71Å; D292-H294 PolarHBondContact OD1-CD2 3.12Å; D292-H294 IonicContact OD1-CG 3.8Å; D292-H294 PolarHBondContact OD1-N 2.99Å; D292-Q295 HydrophobicContact CB-CB 4.31Å; D292-Q295 HydrophobicContact CB-CG 4.49Å; D292-Q295 PolarHBondContact O-N 3.42Å; D292-Q295 VanDerWaalsContact OD2-CG 3.3Å; D292-Q295 WeakPolarHBondContact OD2-CG 3.16Å; D292-Q295 PolarHBondContact OD2-NE2 3.42Å; D292-R296 PolarHBondContact O-N 2.87Å; D292-R296 VanDerWaalsContact O-N 3.14Å
293Y78.9Confident89.4Confident37 Ų3748.6 Ų48.615%0.14524%0.236CC..THydrogen-bonded Turntrans-67.1-27.2178.983.6-77.5000112.4E216 D229 R231 K291 Q295 R296E216-Y293 HydrophobicContact CB-CD1 3.74Å; E216-Y293 HydrophobicContact CB-CE1 4.45Å; E216-Y293 HydrophobicContact CB-CG 3.97Å; E216-Y293 HydrophobicContact CG-CD1 4.12Å; E216-Y293 HydrophobicContact CG-CD2 4.38Å; E216-Y293 HydrophobicContact CG-CG 3.8Å; D229-Y293 HydrophobicContact CB-CD2 4.06Å; D229-Y293 HydrophobicContact CB-CE2 4.13Å; R231-Y293 PolarHBondContact NE-O 2.66Å; R231-Y293 PolarHBondContact NH1-O 2.97Å; K291-Y293 PolarHBondContact O-N 3.39Å; Y293-Q295 VanDerWaalsContact C-N 3.32Å; Y293-Q295 PolarHBondContact O-N 3.24Å; Y293-R296 PolarHBondContact O-N 2.87Å
294H76.4Confident89.4Confident120 Ų12054.6 Ų54.656%0.55625%0.252SS*.THydrogen-bonded Turntrans-64.1-37.8175.8-67.7-85000111.9R231 D292R231-H294 PolarHBondContact NH1-O 3.32Å; D292-H294 VanDerWaalsContact C-N 3.26Å; D292-H294 PolarHBondContact O-N 2.96Å; D292-H294 WeakPolarHBondContact OD1-CB 3.35Å; D292-H294 IonicContact OD1-CD2 2.71Å; D292-H294 PolarHBondContact OD1-CD2 3.12Å; D292-H294 IonicContact OD1-CG 3.8Å; D292-H294 PolarHBondContact OD1-N 2.99Å
295Q86.6Confident89.4Confident144 Ų14455.6 Ų55.667%0.67326%0.257SS*.THydrogen-bonded Turntrans-81.9-19175.8-73.817265.900113.6V290 D292 Y293V290-Q295 HydrophobicContact CG1-CB 3.79Å; D292-Q295 HydrophobicContact CB-CB 4.31Å; D292-Q295 HydrophobicContact CB-CG 4.49Å; D292-Q295 PolarHBondContact O-N 3.42Å; D292-Q295 VanDerWaalsContact OD2-CG 3.3Å; D292-Q295 WeakPolarHBondContact OD2-CG 3.16Å; D292-Q295 PolarHBondContact OD2-NE2 3.42Å; Y293-Q295 VanDerWaalsContact C-N 3.32Å; Y293-Q295 PolarHBondContact O-N 3.24Å
296R89.1Confident89.3Confident2 Ų257.8 Ų57.81%0.00827%0.271CS..SBendtrans-66.1131.1176.8-158.8-179.6-54135.111.5109.7E216 R231 V288 V290 K291 D292 Y293E216-R296 VanDerWaalsContact CD-NH1 3.31Å; E216-R296 IonicContact OE1-CZ 2.78Å; E216-R296 IonicContact OE1-NH1 3.23Å; E216-R296 PolarHBondContact OE1-NH1 2.89Å; E216-R296 IonicContact OE1-NH2 2.65Å; E216-R296 IonicContact OE2-CZ 3.81Å; E216-R296 IonicContact OE2-NH1 2.73Å; E216-R296 PolarHBondContact OE2-NH1 2.96Å; E216-R296 IonicContact OE2-NH2 3.54Å; E216-R296 PolarHBondContact OE2-NH2 3.04Å; R231-R296 WeakPolarHBondContact CD-O 3.23Å; R231-R296 PolarHBondContact NH1-O 3.23Å; R231-R296 PolarHBondContact O-NH1 2.86Å; V288-R296 WeakPolarHBondContact O-CD 3.31Å; V290-R296 HydrophobicContact CB-CB 4.26Å; V290-R296 HydrophobicContact CB-CG 4.36Å; V290-R296 PolarHBondContact O-NE 3.49Å; V290-R296 PolarHBondContact O-NH2 3Å; K291-R296 PolarHBondContact O-NH2 3.47Å; D292-R296 PolarHBondContact O-N 2.87Å; D292-R296 VanDerWaalsContact O-N 3.14Å; Y293-R296 PolarHBondContact O-N 2.87Å
297P89.6Confident89.4Confident20 Ų2054 Ų5413%0.1325%0.253CS..PPolyproline II helixtrans-70.6158.6-179.227-33.9000112.5L234 T287 Q301 L302L234-P297 WeakPolarHBondContact CD1-O 3.5Å; T287-P297 HydrophobicContact CG2-CG 3.63Å; T287-P297 WeakPolarHBondContact O-CD 3.28Å; P297-Q301 HydrophobicContact CB-CB 3.91Å; P297-Q301 VanDerWaalsContact CB-OE1 3.3Å; P297-L302 HydrophobicContact CG-CD2 3.79Å; P297-L302 HydrophobicContact CG-CG 4.09Å
298Y88.5Confident89.5Confident110 Ų11052.2 Ų52.243%0.43124%0.242SC..PPolyproline II helixtrans-79.6162.9172.2-65.5-83.8000111.8R231 E300 Q301 L302R231-Y298 HydrophobicContact CG-CD1 3.93Å; R231-Y298 HydrophobicContact CG-CE1 4.03Å; R231-Y298 PolarHBondContact NH2-OH 2.95Å; Y298-E300 VanDerWaalsContact C-N 3.25Å; Y298-E300 PolarHBondContact O-N 2.99Å; Y298-E300 VanDerWaalsContact O-N 3.15Å; Y298-Q301 WeakPolarHBondContact O-CB 3.31Å; Y298-Q301 PolarHBondContact O-N 3.32Å; Y298-L302 PolarHBondContact O-N 3.36Å
299T91.1Very high89.4Confident5 Ų559.5 Ų59.53%0.03127%0.269CS..Hα-helixtrans-53-39.4-175.5-35.40000113.2L137 L140 A141 H144 L234 Q301 L302 L303L137-T299 HydrophobicContact CB-CG2 4.19Å; L137-T299 HydrophobicContact CD2-CG2 3.64Å; L137-T299 WeakPolarHBondContact O-CG2 3.39Å; L140-T299 HydrophobicContact CB-CG2 4.09Å; A141-T299 HydrophobicContact CB-CG2 3.91Å; H144-T299 PolarHBondContact ND1-OG1 3.04Å; L234-T299 HydrophobicContact CD2-CG2 4.09Å; T299-Q301 VanDerWaalsContact C-N 3.28Å; T299-Q301 PolarHBondContact O-N 3.48Å; T299-L302 PolarHBondContact O-N 3.22Å; T299-L303 WeakPolarHBondContact O-CG 3.49Å; T299-L303 PolarHBondContact O-N 2.59Å
300E90.6Very high89.2Confident99 Ų9962.8 Ų62.846%0.46329%0.287SS..Hα-helixtrans-61.6-28.9176.2-77.5-57.8125.500114.8Y298 R304Y298-E300 VanDerWaalsContact C-N 3.25Å; Y298-E300 PolarHBondContact O-N 2.99Å; Y298-E300 VanDerWaalsContact O-N 3.15Å; E300-R304 WeakPolarHBondContact O-CD 3.42Å; E300-R304 WeakPolarHBondContact O-CG 3.44Å; E300-R304 PolarHBondContact O-NE 3.32Å; E300-R304 IonicContact OE2-NH2 3.53Å
301Q92.1Very high88.8Confident111 Ų11162.6 Ų62.652%0.51928%0.284SS..Hα-helixtrans-82.3-38.7176.1-65.8166.8-57.900110.2P297 Y298 T299 R304 H305P297-Q301 HydrophobicContact CB-CB 3.91Å; P297-Q301 VanDerWaalsContact CB-OE1 3.3Å; Y298-Q301 WeakPolarHBondContact O-CB 3.31Å; Y298-Q301 PolarHBondContact O-N 3.32Å; T299-Q301 VanDerWaalsContact C-N 3.28Å; T299-Q301 PolarHBondContact O-N 3.48Å; Q301-R304 WeakPolarHBondContact O-CB 3.47Å; Q301-R304 PolarHBondContact O-N 3.23Å; Q301-R304 VanDerWaalsContact O-N 3.12Å; Q301-H305 PolarHBondContact O-N 3.22Å
302L93.3Very high88.5Confident0 Ų062.1 Ų62.10%029%0.288CS..Hα-helixtrans-65.8-36.3176-68175.4000112.9L137 L234 F284 T287 V288 P297 Y298 T299 R304 H305L137-L302 HydrophobicContact CD1-CB 3.97Å; L137-L302 HydrophobicContact CD2-CB 3.79Å; L137-L302 HydrophobicContact CD2-CD1 3.9Å; L234-L302 HydrophobicContact CB-CD1 4.01Å; L234-L302 HydrophobicContact CD1-CD1 3.88Å; L234-L302 HydrophobicContact CD2-CD1 4.01Å; L234-L302 HydrophobicContact CG-CD1 4.17Å; F284-L302 HydrophobicContact CE2-CD2 4.35Å; T287-L302 HydrophobicContact CG2-CD2 3.71Å; V288-L302 HydrophobicContact CG1-CD1 3.77Å; V288-L302 HydrophobicContact CG1-CD2 3.53Å; V288-L302 HydrophobicContact CG1-CG 4.3Å; P297-L302 HydrophobicContact CG-CD2 3.79Å; P297-L302 HydrophobicContact CG-CG 4.09Å; Y298-L302 PolarHBondContact O-N 3.36Å; T299-L302 PolarHBondContact O-N 3.22Å; L302-R304 PolarHBondContact O-N 3.26Å; L302-R304 VanDerWaalsContact O-N 3.16Å; L302-H305 VanDerWaalsContact O-CB 3.25Å; L302-H305 WeakPolarHBondContact O-CB 3.3Å; L302-H305 PolarHBondContact O-N 2.95Å
303L94.1Very high88.5Confident41 Ų4163.9 Ų63.922%0.21530%0.3CS..THydrogen-bonded Turntrans-60.2-20.9172.3-77.1169.9000113.4R134 L137 R138 A141 T299 I308R134-L303 HydrophobicContact CG-CD2 4.37Å; L137-L303 HydrophobicContact CB-CD2 3.55Å; L137-L303 HydrophobicContact CB-CG 3.98Å; L137-L303 HydrophobicContact CD1-CD2 4.38Å; R138-L303 HydrophobicContact CG-CD2 4.22Å; A141-L303 HydrophobicContact CB-CD1 4.12Å; T299-L303 WeakPolarHBondContact O-CG 3.49Å; T299-L303 PolarHBondContact O-N 2.59Å; L303-I308 HydrophobicContact CD2-CG2 4.39Å
304R93.9Very high88.8Confident168 Ų16864 Ų6463%0.63430%0.302SS*.THydrogen-bonded Turntrans-96.2-6.6177.8-58.8170.6-159.1-150.6-1.9113.1E300 Q301 L302E300-R304 WeakPolarHBondContact O-CD 3.42Å; E300-R304 WeakPolarHBondContact O-CG 3.44Å; E300-R304 PolarHBondContact O-NE 3.32Å; E300-R304 IonicContact OE2-NH2 3.53Å; Q301-R304 WeakPolarHBondContact O-CB 3.47Å; Q301-R304 PolarHBondContact O-N 3.23Å; Q301-R304 VanDerWaalsContact O-N 3.12Å; L302-R304 PolarHBondContact O-N 3.26Å; L302-R304 VanDerWaalsContact O-N 3.16Å
305H95.1Very high89.3Confident22 Ų2267.6 Ų67.610%0.10231%0.311CS..SBendtrans-63.4137.8-178.7-172.8-81.2000110.7K280 S283 F284 T287 Q301 L302 F307 I308 R309K280-H305 VanDerWaalsContact C-CE1 3.43Å; K280-H305 PolarHBondContact O-CE1 3.44Å; S283-H305 VanDerWaalsContact C-CE1 3.41Å; S283-H305 WeakPolarHBondContact CB-CE1 3.42Å; S283-H305 WeakPolarHBondContact CB-NE2 3.19Å; S283-H305 PolarHBondContact O-NE2 3.34Å; S283-H305 PolarHBondContact OG-CE1 2.96Å; S283-H305 PolarHBondContact OG-NE2 3.07Å; F284-H305 VanDerWaalsContact CA-CE1 3.44Å; F284-H305 WeakPolarHBondContact CA-CE1 3.09Å; F284-H305 VanDerWaalsContact CB-CE1 3.5Å; F284-H305 WeakPolarHBondContact CB-CE1 3.27Å; F284-H305 HydrophobicContact CD2-CB 4.37Å; F284-H305 AromaticContact CD2-ND1 3.92Å; F284-H305 PolarHBondContact N-CE1 3.47Å; F284-H305 PolarHBondContact N-NE2 3.37Å; T287-H305 PolarHBondContact OG1-NE2 2.84Å; Q301-H305 PolarHBondContact O-N 3.22Å; L302-H305 VanDerWaalsContact O-CB 3.25Å; L302-H305 WeakPolarHBondContact O-CB 3.3Å; L302-H305 PolarHBondContact O-N 2.95Å; H305-F307 VanDerWaalsContact ND1-CB 3.35Å; H305-F307 WeakPolarHBondContact ND1-CB 3.48Å; H305-F307 PolarHBondContact ND1-N 3.44Å; H305-F307 VanDerWaalsContact ND1-N 3.14Å; H305-F307 PolarHBondContact O-N 3.04Å; H305-I308 PolarHBondContact O-N 2.85Å; H305-R309 WeakPolarHBondContact O-CB 3.4Å; H305-R309 PolarHBondContact O-N 2.57Å
306P94.3Very high89.4Confident48 Ų4866.6 Ų66.631%0.31231%0.306SS..Hα-helixtrans-53.8-29.5-175.3-30.336.7000115.5K280 I308 D310K280-P306 HydrophobicContact CD-CB 4.1Å; K280-P306 HydrophobicContact CG-CB 4.43Å; P306-I308 VanDerWaalsContact C-N 3.33Å; P306-D310 WeakPolarHBondContact O-CB 3.21Å; P306-D310 VanDerWaalsContact O-CG 3.24Å; P306-D310 PolarHBondContact O-N 3.43Å; P306-D310 VanDerWaalsContact O-N 3.1Å
307F94.6Very high89.5Confident10 Ų1066.8 Ų66.84%0.04431%0.308CS..Hα-helixtrans-65.4-35.2175.3-177.4-114.2000113.2E126 I129 A130 K280 F281 F284 H305E126-F307 HydrophobicContact CG-CE2 3.62Å; E126-F307 HydrophobicContact CG-CZ 4.3Å; I129-F307 HydrophobicContact CB-CZ 4.38Å; I129-F307 HydrophobicContact CG2-CE1 4.37Å; I129-F307 HydrophobicContact CG2-CZ 4.02Å; A130-F307 HydrophobicContact CB-CD1 4.27Å; A130-F307 HydrophobicContact CB-CD2 4.3Å; A130-F307 HydrophobicContact CB-CE1 3.87Å; A130-F307 HydrophobicContact CB-CE2 3.89Å; A130-F307 HydrophobicContact CB-CG 4.47Å; A130-F307 HydrophobicContact CB-CZ 3.67Å; A130-F307 WeakPolarHBondContact CB-O 3.48Å; K280-F307 HydrophobicContact CB-CB 4.25Å; K280-F307 HydrophobicContact CB-CD2 4.35Å; F281-F307 HydrophobicContact CB-CD2 3.8Å; F281-F307 HydrophobicContact CB-CE2 3.46Å; F281-F307 VanDerWaalsContact CB-CE2 3.46Å; F281-F307 HydrophobicContact CB-CZ 4.12Å; F281-F307 HydrophobicContact CD1-CE2 4.44Å; F281-F307 HydrophobicContact CD1-CZ 4.46Å; F281-F307 HydrophobicContact CD2-CD1 4.3Å; F281-F307 HydrophobicContact CD2-CD2 4.21Å; F281-F307 AromaticContact CD2-CE1 3.66Å; F281-F307 HydrophobicContact CD2-CE1 3.66Å; F281-F307 AromaticContact CD2-CE2 3.56Å; F281-F307 HydrophobicContact CD2-CE2 3.56Å; F281-F307 AromaticContact CD2-CZ 3.23Å; F281-F307 HydrophobicContact CD2-CZ 3.23Å; F281-F307 HydrophobicContact CE2-CE1 4.01Å; F281-F307 HydrophobicContact CE2-CE2 4.43Å; F281-F307 AromaticContact CE2-CZ 3.71Å; F281-F307 HydrophobicContact CE2-CZ 3.71Å; F281-F307 HydrophobicContact CG-CD2 4.3Å; F281-F307 AromaticContact CG-CE2 3.58Å; F281-F307 HydrophobicContact CG-CE2 3.58Å; F281-F307 AromaticContact CG-CZ 3.7Å; F281-F307 HydrophobicContact CG-CZ 3.7Å; F284-F307 HydrophobicContact CB-CB 3.76Å; F284-F307 HydrophobicContact CB-CD1 3.67Å; F284-F307 HydrophobicContact CB-CE1 4.47Å; F284-F307 HydrophobicContact CB-CG 3.82Å; F284-F307 AromaticContact CD1-CD1 3.51Å; F284-F307 HydrophobicContact CD1-CD1 3.51Å; F284-F307 AromaticContact CD1-CE1 3.72Å; F284-F307 HydrophobicContact CD1-CE1 3.72Å; F284-F307 HydrophobicContact CD1-CG 4.49Å; F284-F307 HydrophobicContact CD2-CB 4.38Å; F284-F307 AromaticContact CD2-CD1 3.94Å; F284-F307 HydrophobicContact CD2-CD1 3.94Å; F284-F307 HydrophobicContact CE1-CD1 4.11Å; F284-F307 HydrophobicContact CE1-CE1 4.15Å; F284-F307 HydrophobicContact CE2-CD1 4.49Å; F284-F307 HydrophobicContact CG-CB 4.18Å; F284-F307 AromaticContact CG-CD1 3.41Å; F284-F307 HydrophobicContact CG-CD1 3.41Å; F284-F307 VanDerWaalsContact CG-CD1 3.41Å; F284-F307 HydrophobicContact CG-CE1 4.11Å; F284-F307 HydrophobicContact CG-CG 4.07Å; H305-F307 VanDerWaalsContact ND1-CB 3.35Å; H305-F307 WeakPolarHBondContact ND1-CB 3.48Å; H305-F307 PolarHBondContact ND1-N 3.44Å; H305-F307 VanDerWaalsContact ND1-N 3.14Å; H305-F307 PolarHBondContact O-N 3.04Å
308I94.6Very high89.6Confident2 Ų268.2 Ų68.21%0.0131%0.311CS..Hα-helixtrans-93.4-34-174.9-61.6-59.4000111.4C133 R134 L137 F284 L303 H305 P306C133-I308 HydrophobicContact CB-CD1 3.67Å; R134-I308 HydrophobicContact CB-CG2 3.77Å; R134-I308 HydrophobicContact CG-CG2 3.65Å; L137-I308 HydrophobicContact CD1-CD1 4.04Å; L137-I308 HydrophobicContact CD1-CG1 3.9Å; L137-I308 HydrophobicContact CD1-CG2 4.03Å; F284-I308 HydrophobicContact CD2-CD1 4.32Å; F284-I308 HydrophobicContact CD2-CG1 3.9Å; F284-I308 HydrophobicContact CE1-CD1 4.5Å; F284-I308 HydrophobicContact CE2-CD1 3.79Å; F284-I308 HydrophobicContact CE2-CG1 3.52Å; F284-I308 HydrophobicContact CZ-CD1 3.89Å; F284-I308 HydrophobicContact CZ-CG1 4.16Å; L303-I308 HydrophobicContact CD2-CG2 4.39Å; H305-I308 PolarHBondContact O-N 2.85Å; P306-I308 VanDerWaalsContact C-N 3.33Å
309R91.8Very high89.7Confident154 Ų15466.8 Ų66.858%0.58131%0.31SS*.Hα-helixtrans-80.4-44.3-178.2-171.2-165.867.8-164-5112.9H305 L311H305-R309 WeakPolarHBondContact O-CB 3.4Å; H305-R309 PolarHBondContact O-N 2.57Å; R309-L311 PolarHBondContact O-N 3.3Å
310D88Confident89.7Confident69 Ų6968.2 Ų68.237%0.36932%0.322SS..SBendtrans-87.940.6-168.8-52.5-17.9000112.6K280 P306K280-D310 VanDerWaalsContact NZ-CB 3.32Å; K280-D310 IonicContact NZ-OD2 2.65Å; K280-D310 PolarHBondContact NZ-OD2 2.88Å; P306-D310 WeakPolarHBondContact O-CB 3.21Å; P306-D310 VanDerWaalsContact O-CG 3.24Å; P306-D310 PolarHBondContact O-N 3.43Å; P306-D310 VanDerWaalsContact O-N 3.1Å
311L82.2Confident89.7Confident33 Ų3363.5 Ų63.517%0.17330%0.3CS..PPolyproline II helixtrans-80.7147.7-178-93.5169.7000112.6A130 R134 R309A130-L311 HydrophobicContact CB-CD1 4.37Å; A130-L311 HydrophobicContact CB-CD2 3.63Å; A130-L311 HydrophobicContact CB-CG 4.11Å; R134-L311 HydrophobicContact CB-CD1 4.27Å; R309-L311 PolarHBondContact O-N 3.3Å
312P73.7Confident89.7Confident53 Ų5361.4 Ų61.434%0.34429%0.289SS..PPolyproline II helixtrans-55.9162.6160.4-2334.5000112.2E314 V317P312-E314 PolarHBondContact O-N 2.82Å; P312-V317 HydrophobicContact CB-CG2 4.23Å
313T80.5Confident89.5Confident93 Ų9365 Ų6557%0.57131%0.308SS*.PPolyproline II helixtrans-55.5129.6-175.2-47.90000111.3R315 Q316 V317T313-R315 HydrophobicContact CG2-CB 4.42Å; T313-R315 PolarHBondContact O-N 2.97Å; T313-Q316 WeakPolarHBondContact O-CB 3.22Å; T313-Q316 PolarHBondContact O-N 3.12Å; T313-V317 PolarHBondContact O-N 3.15Å
314E84.4Confident89.2Confident40 Ų4065.4 Ų65.419%0.18731%0.307CS..Hα-helixtrans-48.7-38.5-175.5172.3166.4161.600113R77 Y131 R134 R138 P312 Q316 V317 R318R77-E314 IonicContact CZ-OE1 3.83Å; R77-E314 IonicContact NH2-OE1 2.72Å; R77-E314 PolarHBondContact NH2-OE1 3.12Å; Y131-E314 HydrophobicContact CE2-CG 3.81Å; R134-E314 IonicContact CZ-OE2 3.64Å; R134-E314 VanDerWaalsContact NH2-CD 3.32Å; R134-E314 IonicContact NH2-OE2 3.37Å; R134-E314 PolarHBondContact NH2-OE2 2.99Å; R138-E314 IonicContact CZ-OE2 2.73Å; R138-E314 IonicContact NH1-OE2 3.27Å; R138-E314 PolarHBondContact NH1-OE2 3.29Å; P312-E314 PolarHBondContact O-N 2.82Å; E314-Q316 PolarHBondContact O-N 3.24Å; E314-V317 PolarHBondContact O-N 2.67Å; E314-R318 HydrophobicContact CG-CG 4.27Å; E314-R318 WeakPolarHBondContact O-CB 3.39Å; E314-R318 VanDerWaalsContact O-CG 3.3Å; E314-R318 WeakPolarHBondContact O-CG 3.26Å; E314-R318 PolarHBondContact O-N 3.41Å; E314-R318 IonicContact OE1-NH1 3.14Å
315R87.5Confident88.8Confident196 Ų19658.2 Ų58.274%0.7428%0.281SS*.Hα-helixtrans-58.3-41.8175.4-174.1174-179.3169.10.6113.4T313 I319T313-R315 HydrophobicContact CG2-CB 4.42Å; T313-R315 PolarHBondContact O-N 2.97Å; R315-I319 HydrophobicContact CG-CD1 3.89Å; R315-I319 WeakPolarHBondContact O-CB 3.38Å; R315-I319 WeakPolarHBondContact O-CD1 3.36Å; R315-I319 WeakPolarHBondContact O-CG1 3.43Å; R315-I319 PolarHBondContact O-N 3.4Å
316Q88.7Confident88.3Confident122 Ų12258.9 Ų58.957%0.5729%0.286SS*.Hα-helixtrans-67.9-45.4-179.3-66.7172-31.600111.3T313 E314 I319 A320T313-Q316 WeakPolarHBondContact O-CB 3.22Å; T313-Q316 PolarHBondContact O-N 3.12Å; E314-Q316 PolarHBondContact O-N 3.24Å; Q316-I319 PolarHBondContact O-N 3.33Å; Q316-A320 WeakPolarHBondContact O-CB 3.1Å; Q316-A320 PolarHBondContact O-N 2.97Å
317V90.5Very high87.8Confident7 Ų763.5 Ų63.54%0.04230%0.297CS..Hα-helixtrans-67.4-41.7179.8-1740000111Y131 P312 T313 E314 A320 I321Y131-V317 HydrophobicContact CD1-CG1 4.16Å; Y131-V317 HydrophobicContact CG-CB 4.49Å; Y131-V317 HydrophobicContact CG-CG1 3.95Å; P312-V317 HydrophobicContact CB-CG2 4.23Å; T313-V317 PolarHBondContact O-N 3.15Å; E314-V317 PolarHBondContact O-N 2.67Å; V317-A320 PolarHBondContact O-N 3.4Å; V317-I321 HydrophobicContact CG1-CD1 3.93Å; V317-I321 HydrophobicContact CG1-CG1 4.5Å; V317-I321 WeakPolarHBondContact O-CG1 3.33Å; V317-I321 PolarHBondContact O-N 2.96Å
318R91.9Very high86.9Confident49 Ų4965.7 Ų65.719%0.18531%0.307CS..Hα-helixtrans-61.2-43174.2-75.1175.461.1168.4-3.6112.8Y131 N163 A164 E165 E314 I321 K322Y131-R318 HydrophobicContact CE1-CG 4Å; Y131-R318 HydrophobicContact CE2-CG 4.27Å; Y131-R318 WeakPolarHBondContact OH-CD 3.35Å; Y131-R318 WeakPolarHBondContact OH-CG 3.35Å; N163-R318 PolarHBondContact O-NE 3.47Å; N163-R318 PolarHBondContact O-NH2 3.35Å; A164-R318 HydrophobicContact CB-CB 4.25Å; A164-R318 HydrophobicContact CB-CG 4.4Å; A164-R318 WeakPolarHBondContact CB-O 3.46Å; E165-R318 IonicContact OE1-CZ 2.69Å; E165-R318 IonicContact OE1-NH1 2.72Å; E165-R318 PolarHBondContact OE1-NH1 3.38Å; E165-R318 IonicContact OE1-NH2 3.57Å; E165-R318 PolarHBondContact OE1-NH2 3.06Å; E314-R318 HydrophobicContact CG-CG 4.27Å; E314-R318 WeakPolarHBondContact O-CB 3.39Å; E314-R318 VanDerWaalsContact O-CG 3.3Å; E314-R318 WeakPolarHBondContact O-CG 3.26Å; E314-R318 PolarHBondContact O-N 3.41Å; E314-R318 IonicContact OE1-NH1 3.14Å; R318-I321 PolarHBondContact O-N 2.84Å; R318-K322 VanDerWaalsContact O-CB 3.25Å; R318-K322 WeakPolarHBondContact O-CB 3.18Å; R318-K322 PolarHBondContact O-N 2.97Å
319I91.4Very high86Confident81 Ų8169.5 Ų69.542%0.41532%0.321SS..Hα-helixtrans-60.5-49173.5-71.4165.2000110R315 Q316 I321 K322 D323R315-I319 HydrophobicContact CG-CD1 3.89Å; R315-I319 WeakPolarHBondContact O-CB 3.38Å; R315-I319 WeakPolarHBondContact O-CD1 3.36Å; R315-I319 WeakPolarHBondContact O-CG1 3.43Å; R315-I319 PolarHBondContact O-N 3.4Å; Q316-I319 PolarHBondContact O-N 3.33Å; I319-I321 VanDerWaalsContact C-N 3.32Å; I319-I321 PolarHBondContact O-N 3.11Å; I319-K322 PolarHBondContact O-N 2.97Å; I319-D323 WeakPolarHBondContact CG2-OD2 3.15Å; I319-D323 WeakPolarHBondContact O-CB 3.47Å; I319-D323 PolarHBondContact O-N 2.82Å
320A91.3Very high85.1Confident34 Ų3471.1 Ų71.128%0.28133%0.327SS..Hα-helixtrans-60.7-36.6-179.500000113.9W128 Q316 V317 Y324W128-A320 HydrophobicContact CZ2-CB 4.27Å; W128-A320 WeakPolarHBondContact CZ2-O 3.5Å; Q316-A320 WeakPolarHBondContact O-CB 3.1Å; Q316-A320 PolarHBondContact O-N 2.97Å; V317-A320 PolarHBondContact O-N 3.4Å; A320-Y324 PolarHBondContact O-N 2.81Å
321I90.9Very high84.1Confident0 Ų073.3 Ų73.30%034%0.338CS..Hα-helixtrans-71.5-46.1174.2-67.9169000110.6L115 W128 Y131 A164 V317 R318 I319 D323 Y324 L325L115-I321 HydrophobicContact CD2-CG2 4.36Å; W128-I321 HydrophobicContact CB-CD1 4.14Å; W128-I321 HydrophobicContact CB-CG1 4.39Å; W128-I321 HydrophobicContact CD2-CD1 4.3Å; W128-I321 HydrophobicContact CD2-CG1 3.58Å; W128-I321 HydrophobicContact CE3-CG1 4.02Å; W128-I321 HydrophobicContact CG-CD1 3.99Å; W128-I321 HydrophobicContact CG-CG1 3.76Å; W128-I321 HydrophobicContact CZ2-CG1 4.31Å; Y131-I321 HydrophobicContact CD1-CD1 3.75Å; Y131-I321 HydrophobicContact CE1-CD1 4.25Å; A164-I321 HydrophobicContact CB-CB 4.08Å; A164-I321 HydrophobicContact CB-CG2 3.85Å; V317-I321 HydrophobicContact CG1-CD1 3.93Å; V317-I321 HydrophobicContact CG1-CG1 4.5Å; V317-I321 WeakPolarHBondContact O-CG1 3.33Å; V317-I321 PolarHBondContact O-N 2.96Å; R318-I321 PolarHBondContact O-N 2.84Å; I319-I321 VanDerWaalsContact C-N 3.32Å; I319-I321 PolarHBondContact O-N 3.11Å; I321-D323 PolarHBondContact O-N 2.91Å; I321-Y324 WeakPolarHBondContact O-CB 3.44Å; I321-Y324 PolarHBondContact O-N 3.25Å; I321-Y324 VanDerWaalsContact O-N 3.11Å; I321-L325 HydrophobicContact CG2-CD1 3.86Å; I321-L325 HydrophobicContact CG2-CG 4.48Å; I321-L325 WeakPolarHBondContact O-CG 3.37Å; I321-L325 PolarHBondContact O-N 3Å
322K90.3Very high83.1Confident68 Ų6875.7 Ų75.730%0.29635%0.352SS..Hα-helixtrans-60.2-46.5177.9-176.1-179.8-178.5-61.60111.8D162 A164 R318 I319 Y324 L325 D326D162-K322 WeakPolarHBondContact O-CE 3.37Å; A164-K322 HydrophobicContact CB-CB 4.35Å; R318-K322 VanDerWaalsContact O-CB 3.25Å; R318-K322 WeakPolarHBondContact O-CB 3.18Å; R318-K322 PolarHBondContact O-N 2.97Å; I319-K322 PolarHBondContact O-N 2.97Å; K322-Y324 PolarHBondContact O-N 2.7Å; K322-L325 PolarHBondContact O-N 2.86Å; K322-L325 VanDerWaalsContact O-N 3.16Å; K322-D326 IonicContact NZ-OD2 3.95Å; K322-D326 PolarHBondContact NZ-OD2 2.99Å; K322-D326 WeakPolarHBondContact O-CB 3.11Å; K322-D326 PolarHBondContact O-N 3.41Å
323D89.5Confident82Confident76 Ų7682.3 Ų82.341%0.40637%0.37SS..Hα-helixtrans-62.8-27177-68.2-13.7000111.9I319 I321 R327I319-D323 WeakPolarHBondContact CG2-OD2 3.15Å; I319-D323 WeakPolarHBondContact O-CB 3.47Å; I319-D323 PolarHBondContact O-N 2.82Å; I321-D323 PolarHBondContact O-N 2.91Å; D323-R327 WeakPolarHBondContact O-CB 3.44Å; D323-R327 WeakPolarHBondContact O-CG 3.35Å; D323-R327 PolarHBondContact O-N 2.94Å; D323-R327 PolarHBondContact O-NE 3.2Å; D323-R327 PolarHBondContact O-NH2 2.96Å
324Y87.6Confident80.2Confident48 Ų4885.2 Ų85.219%0.18837%0.374CS..Hα-helixtrans-72.5-50.4171.8-166.5-94.5000111.7L115 C118 A119 W128 A320 I321 K322 D326 R327 H328L115-Y324 HydrophobicContact CD1-CD1 4.1Å; C118-Y324 WeakPolarHBondContact O-CE1 3.36Å; C118-Y324 PolarHBondContact O-OH 3.16Å; A119-Y324 WeakPolarHBondContact CA-OH 3.42Å; W128-Y324 HydrophobicContact CH2-CD1 4.35Å; W128-Y324 AromaticContact CH2-CD2 3.86Å; W128-Y324 HydrophobicContact CH2-CD2 3.86Å; W128-Y324 AromaticContact CH2-CG 3.68Å; W128-Y324 HydrophobicContact CH2-CG 3.68Å; W128-Y324 HydrophobicContact CZ3-CD1 4.32Å; W128-Y324 HydrophobicContact CZ3-CD2 4.47Å; W128-Y324 HydrophobicContact CZ3-CG 4.1Å; A320-Y324 PolarHBondContact O-N 2.81Å; I321-Y324 WeakPolarHBondContact O-CB 3.44Å; I321-Y324 PolarHBondContact O-N 3.25Å; I321-Y324 VanDerWaalsContact O-N 3.11Å; K322-Y324 PolarHBondContact O-N 2.7Å; Y324-D326 PolarHBondContact O-N 2.88Å; Y324-R327 PolarHBondContact O-N 2.99Å; Y324-H328 PolarHBondContact O-N 3.46Å
325L86.1Confident78Confident17 Ų1789.9 Ų89.99%0.08940%0.401CS..Hα-helixtrans-58.1-46.4177.9-69.5162.1000111.9A109 L115 I321 K322 R327 H328 R329A109-L325 HydrophobicContact CB-CD1 3.78Å; A109-L325 HydrophobicContact CB-CD2 4.26Å; L115-L325 HydrophobicContact CD1-CD2 4.12Å; I321-L325 HydrophobicContact CG2-CD1 3.86Å; I321-L325 HydrophobicContact CG2-CG 4.48Å; I321-L325 WeakPolarHBondContact O-CG 3.37Å; I321-L325 PolarHBondContact O-N 3Å; K322-L325 PolarHBondContact O-N 2.86Å; K322-L325 VanDerWaalsContact O-N 3.16Å; L325-R327 PolarHBondContact O-N 2.82Å; L325-H328 PolarHBondContact O-N 3.23Å; L325-R329 WeakPolarHBondContact O-CB 3.27Å; L325-R329 WeakPolarHBondContact O-CD 3.42Å; L325-R329 VanDerWaalsContact O-CG 3.28Å; L325-R329 WeakPolarHBondContact O-CG 3.24Å; L325-R329 PolarHBondContact O-N 3.42Å
326D85.4Confident75.5Confident37 Ų3788.2 Ų88.220%0.19840%0.401CS..Hα-helixtrans-67.9-34.5-179.4-75.1-18.4000112.6K322 Y324 R329 R330K322-D326 IonicContact NZ-OD2 3.95Å; K322-D326 PolarHBondContact NZ-OD2 2.99Å; K322-D326 WeakPolarHBondContact O-CB 3.11Å; K322-D326 PolarHBondContact O-N 3.41Å; Y324-D326 PolarHBondContact O-N 2.88Å; D326-R329 IonicContact OD1-NH1 3.49Å; D326-R330 WeakPolarHBondContact O-CB 3.27Å; D326-R330 VanDerWaalsContact O-CG 3.23Å; D326-R330 WeakPolarHBondContact O-CG 3.25Å; D326-R330 PolarHBondContact O-N 2.88Å; D326-R330 VanDerWaalsContact O-N 3.12Å
327R83.5Confident73Confident145 Ų14587.7 Ų87.755%0.54741%0.407SS..Hα-helixtrans-65.7-42.9170.8-81177.9-68.1174.3-3111.7D323 Y324 L325 R330 L331D323-R327 WeakPolarHBondContact O-CB 3.44Å; D323-R327 WeakPolarHBondContact O-CG 3.35Å; D323-R327 PolarHBondContact O-N 2.94Å; D323-R327 PolarHBondContact O-NE 3.2Å; D323-R327 PolarHBondContact O-NH2 2.96Å; Y324-R327 PolarHBondContact O-N 2.99Å; L325-R327 PolarHBondContact O-N 2.82Å; R327-R330 PolarHBondContact O-N 2.88Å; R327-L331 WeakPolarHBondContact O-CG 3.35Å; R327-L331 PolarHBondContact O-N 2.86Å
328H76.3Confident70.2Confident55 Ų5595.5 Ų95.526%0.25544%0.442SS..Hα-helixtrans-65-42.5178.6-158.9-58.6000111.9Y324 L325 R330 L331 N332Y324-H328 PolarHBondContact O-N 3.46Å; L325-H328 PolarHBondContact O-N 3.23Å; H328-R330 VanDerWaalsContact C-N 3.31Å; H328-R330 PolarHBondContact O-N 2.92Å; H328-L331 PolarHBondContact O-N 3.23Å; H328-N332 PolarHBondContact CE1-OD1 2.99Å; H328-N332 PolarHBondContact ND1-OD1 2.82Å; H328-N332 PolarHBondContact O-N 3.01Å; H328-N332 PolarHBondContact O-OD1 3.44Å; H328-N332 VanDerWaalsContact O-OD1 3.08Å
329R74.8Confident67.2Low82 Ų82104.2 Ų104.231%0.30948%0.477SS..Hα-helixtrans-61.2-35.8174.8-73.7163.6163.9-170-12.3113.2G108 D162 L325 D326 R333G108-R329 VanDerWaalsContact C-NH2 3.28Å; G108-R329 PolarHBondContact O-NH2 3.02Å; D162-R329 IonicContact OD1-CZ 3.73Å; D162-R329 IonicContact OD1-NH1 3.92Å; D162-R329 PolarHBondContact OD1-NH1 2.86Å; D162-R329 IonicContact OD1-NH2 2.83Å; D162-R329 PolarHBondContact OD1-NH2 3.07Å; L325-R329 WeakPolarHBondContact O-CB 3.27Å; L325-R329 WeakPolarHBondContact O-CD 3.42Å; L325-R329 VanDerWaalsContact O-CG 3.28Å; L325-R329 WeakPolarHBondContact O-CG 3.24Å; L325-R329 PolarHBondContact O-N 3.42Å; D326-R329 IonicContact OD1-NH1 3.49Å; R329-R333 WeakPolarHBondContact O-CB 3.42Å; R329-R333 WeakPolarHBondContact O-CG 3.26Å; R329-R333 PolarHBondContact O-N 3.4Å
330R72.3Confident64.3Low188 Ų188109.5 Ų109.571%0.70950%0.5SS*.Hα-helixtrans-73.1-24.7176.7-74.4173-172.4-1643.2113.7D326 R327 H328D326-R330 WeakPolarHBondContact O-CB 3.27Å; D326-R330 VanDerWaalsContact O-CG 3.23Å; D326-R330 WeakPolarHBondContact O-CG 3.25Å; D326-R330 PolarHBondContact O-N 2.88Å; D326-R330 VanDerWaalsContact O-N 3.12Å; R327-R330 PolarHBondContact O-N 2.88Å; H328-R330 VanDerWaalsContact C-N 3.31Å; H328-R330 PolarHBondContact O-N 2.92Å
331L67.7Low61.2Low115 Ų115118.9 Ų118.960%0.60253%0.53SS*.Hα-helixtrans-74.2-61.5174.3-73162.1000109.7R327 H328 R333 K334R327-L331 WeakPolarHBondContact O-CG 3.35Å; R327-L331 PolarHBondContact O-N 2.86Å; H328-L331 PolarHBondContact O-N 3.23Å; L331-R333 PolarHBondContact O-N 2.88Å; L331-K334 PolarHBondContact O-N 2.84Å
332N60.5Low58.5Low84 Ų84124.4 Ų124.445%0.44957%0.569SS.*Hα-helixtrans-53.5-34.3-178-69.953.8000114H328 K334 D335H328-N332 PolarHBondContact CE1-OD1 2.99Å; H328-N332 PolarHBondContact ND1-OD1 2.82Å; H328-N332 PolarHBondContact O-N 3.01Å; H328-N332 PolarHBondContact O-OD1 3.44Å; H328-N332 VanDerWaalsContact O-OD1 3.08Å; N332-K334 VanDerWaalsContact C-N 3.26Å; N332-K334 PolarHBondContact O-N 2.83Å; N332-D335 PolarHBondContact O-N 2.96Å
333R52Low55.6Low191 Ų191124.2 Ų124.272%0.72159%0.585SS**Hα-helixtrans-69.1-14.9179.3-87-171.7172.2-166.8-2.8115.5R329 L331 T337R329-R333 WeakPolarHBondContact O-CB 3.42Å; R329-R333 WeakPolarHBondContact O-CG 3.26Å; R329-R333 PolarHBondContact O-N 3.4Å; L331-R333 PolarHBondContact O-N 2.88Å; R333-T337 PolarHBondContact O-OG1 2.64Å
334K41.2Very low53Low154 Ų154125.5 Ų125.567%0.6760%0.6SS**Hα-helixtrans-81.3-42.3175.3-76.2-164.3162.1-149.20111.5L331 N332 E336 T337L331-K334 PolarHBondContact O-N 2.84Å; N332-K334 VanDerWaalsContact C-N 3.26Å; N332-K334 PolarHBondContact O-N 2.83Å; K334-E336 PolarHBondContact O-N 3.3Å; K334-E336 VanDerWaalsContact O-N 3.15Å; K334-T337 PolarHBondContact O-N 2.81Å; K334-T337 VanDerWaalsContact O-N 3.07Å; K334-T337 PolarHBondContact O-OG1 3.05Å
335D38.7Very low50.3Low138 Ų138131.7 Ų131.774%0.73863%0.631SS**Hα-helixtrans-64.1-19.7-177.6-52.4-19.7000112.8N332N332-D335 PolarHBondContact O-N 2.96Å
336E35.6Very low47.9Very low162 Ų162138.2 Ų138.276%0.75767%0.666SS**THydrogen-bonded Turntrans-87.7-4.5176.9-67.1-178.1144.700114.4K334K334-E336 PolarHBondContact O-N 3.3Å; K334-E336 VanDerWaalsContact O-N 3.15Å
337T36Very low45.6Very low111 Ų111145.1 Ų145.168%0.68170%0.697SS**SBendtrans-120.37.6-169.850.20000115.8R333 K334R333-T337 PolarHBondContact O-OG1 2.64Å; K334-T337 PolarHBondContact O-N 2.81Å; K334-T337 VanDerWaalsContact O-N 3.07Å; K334-T337 PolarHBondContact O-OG1 3.05Å
338E31.6Very low43.3Very low170 Ų170142 Ų14279%0.79471%0.71SS**  trans-123.257-171.6-162164.1-123.800112.3
339Y27.7Very low41.3Very low233 Ų233147.9 Ų147.991%0.91474%0.737SS**  trans-149.936.5172-116.3-78.1000114.1Y341Y339-Y341 PolarHBondContact O-N 2.89Å
340E30.9Very low39.5Very low191 Ų191151.7 Ų151.789%0.89376%0.758SS**  trans-74.9111.4165.5-72.2-167.1137.700110.1S342E340-S342 VanDerWaalsContact C-N 3.35Å; E340-S342 PolarHBondContact O-N 3.25Å
341Y26.9Very low37.8Very low231 Ų231150.3 Ų150.391%0.90676%0.759SS**  trans-77.784.6174.7-174.6-95.9000110Y339Y339-Y341 PolarHBondContact O-N 2.89Å
342S34.4Very low36.2Very low117 Ų117149.8 Ų149.882%0.81877%0.766SS**  trans-99.4138166.5-164.40000109.4E340E340-S342 VanDerWaalsContact C-N 3.35Å; E340-S342 PolarHBondContact O-N 3.25Å
343G28Very low35Very low63 Ų63150 Ų15065%0.64978%0.779SS**  trans-117.9144.7-167.900000114.8
344S35.1Very low34.2Very low103 Ų103148.1 Ų148.172%0.7278%0.782SS**  trans-150119.3158.127.60000105.8
345E31.4Very low33.8Very low179 Ų179145.4 Ų145.484%0.83678%0.779SS**  70.810194-68.5175.115800112.6
346D36.2Very low33.6Very low154 Ų154147.3 Ų147.382%0.82478%0.78SS**  -174.6140.9118.5-94.9-17.2000112.8
347E36.5Very low33.4Very low182 Ų182147 Ų14785%0.8578%0.782SS**  trans41.1130.5146.2-57.3-64.287.700122.3
348G34.6Very low33.4Very low78 Ų78147.2 Ų147.280%0.80479%0.786SS**  trans158.654.4166.300000119.6
349E34.8Very low33.3Very low180 Ų180144 Ų14484%0.84178%0.782SS**  trans5.5109.7161.3-55.6-177.8125.500120.4
350H36.5Very low33.6Very low161 Ų161141.1 Ų141.175%0.74578%0.777SS**  179.1108.7103.7-107.8-82000114.9
351H37.5Very low33.8Very low159 Ų159138.2 Ų138.274%0.73677%0.767SS**  trans31.3106.1135.5-77.8-77.4000120.3
352S33.6Very low34Very low105 Ų105136.7 Ų136.773%0.73477%0.769SS**  80.9144.284.473.60000114.7
353A36.5Very low33.9Very low87 Ų87134.7 Ų134.772%0.71977%0.767SS**  cis-139145.225.500000111.6
354L33.5Very low34.1Very low152 Ų152137.6 Ų137.680%0.79677%0.774SS**  71.6140.977.9-128.577000112.5
355T34.3Very low34.2Very low98 Ų98137.7 Ų137.760%0.60177%0.772SS**  cis-164.4140.127.3-39.40000113.9
356K33.6Very low34Very low177 Ų177135.4 Ų135.477%0.7777%0.77SS**  trans37.2141.3146.5-55.2168-169173.30121.5
357I32.5Very low33.7Very low155 Ų155134.1 Ų134.180%0.79577%0.773SS**  cis71.8136.240.4-56.5171.1000111.2
358P35.5Very low33.3Very low116 Ų116133.2 Ų133.275%0.75377%0.774SS**  cis-119.4175.226.916.69.9000114.7
359S30Very low32.9Very low102 Ų102137.8 Ų137.871%0.71378%0.779SS**  cis100.4113.616.589.30000117.4
360E33.7Very low32.7Very low173 Ų173134.4 Ų134.481%0.80877%0.772SS**  trans-170.4152.9150.1-116.5176.7-126.100115.1
361N34.9Very low32.5Very low130 Ų130133.2 Ų133.270%0.69578%0.776SS**  trans6191.6156.3-56.1-30.3000123.7
362E31.3Very low32.1Very low200 Ų200134.3 Ų134.394%0.93578%0.782SS**  32.4139.5128.3-50.4-146.9128.600124.7
363G31.3Very low32.3Very low75 Ų75133.4 Ų133.477%0.77377%0.768SS**  trans152107159.300000117
364P33.1Very low32.4Very low123 Ų123133.7 Ų133.780%0.79976%0.758SS**  trans-107.9179.5178.540.2-34.1000113.8
365P36.3Very low33.2Very low106 Ų106127.3 Ų127.369%0.68873%0.725SS**  cis-131.7-165.1-35.536-17000112.6
366T28Very low34Very low130 Ų130124.5 Ų124.580%0.79871%0.708SS**  trans62.1122.1157.440.90000121.4
367S29.5Very low34.6Very low127 Ų127116.3 Ų116.389%0.88867%0.672SS**  -169.8165.412243.10000111.9
368L27.9Very low35.5Very low163 Ų163114.9 Ų114.985%0.85366%0.657SS**  trans-107.5139.7-170.6-69154000112
369L27.3Very low36.2Very low175 Ų175114.8 Ų114.892%0.91664%0.644SS**  trans-137.4105.1154.9-76.4-179000110.7
370P29.4Very low37Very low108 Ų108113.1 Ų113.170%0.70163%0.627SS**  trans-80.9129173.931.6-31.9000111Q372P370-Q372 PolarHBondContact O-N 3.14Å
371V32.4Very low37.7Very low137 Ų137105.6 Ų105.683%0.8359%0.592SS**  trans-64.8116.2173.2179.30000109.7D373V371-D373 VanDerWaalsContact C-N 3.26Å; V371-D373 PolarHBondContact O-N 3.24Å
372Q29.8Very low38.2Very low181 Ų181103.4 Ų103.485%0.84658%0.58SS**  trans-75.172.3178.6-69-176-21.200111.6P370 D374P370-Q372 PolarHBondContact O-N 3.14Å; Q372-D374 PolarHBondContact O-N 2.79Å
373D38.1Very low38.8Very low86 Ų86100.1 Ų100.146%0.4656%0.563SS.*  trans-77.681.7179.5-174.925.6000111.5V371 N375V371-D373 VanDerWaalsContact C-N 3.26Å; V371-D373 PolarHBondContact O-N 3.24Å; D373-N375 VanDerWaalsContact C-N 3.28Å; D373-N375 PolarHBondContact O-N 3.36Å; D373-N375 PolarHBondContact O-ND2 2.97Å; D373-N375 PolarHBondContact OD1-ND2 3.04Å; D373-N375 PolarHBondContact OD2-ND2 3.03Å
374D37.8Very low39.4Very low93 Ų93103 Ų10350%0.49756%0.559SS.*  trans-75.466.3-164.1-150.7-19.8000114.6Q372 T376 K379Q372-D374 PolarHBondContact O-N 2.79Å; D374-T376 PolarHBondContact O-N 2.96Å; D374-K379 VanDerWaalsContact OD1-CE 3.3Å; D374-K379 WeakPolarHBondContact OD1-CE 3.33Å; D374-K379 IonicContact OD1-NZ 3.17Å; D374-K379 PolarHBondContact OD1-NZ 3.22Å; D374-K379 IonicContact OD2-NZ 3.62Å; D374-K379 PolarHBondContact OD2-NZ 3.36Å
375N50.2Low39.8Very low19 Ų19103.6 Ų103.610%0.10255%0.552CS.*  trans-86.3110.4180-70.7-78000111.9D373 L377 R378 K379 K782D373-N375 VanDerWaalsContact C-N 3.28Å; D373-N375 PolarHBondContact O-N 3.36Å; D373-N375 PolarHBondContact O-ND2 2.97Å; D373-N375 PolarHBondContact OD1-ND2 3.04Å; D373-N375 PolarHBondContact OD2-ND2 3.03Å; N375-L377 PolarHBondContact O-N 2.97Å; N375-R378 HydrophobicContact CB-CB 3.91Å; N375-R378 WeakPolarHBondContact O-CA 3.33Å; N375-R378 WeakPolarHBondContact O-CB 3.48Å; N375-R378 PolarHBondContact O-N 2.88Å; N375-K379 PolarHBondContact O-N 2.77Å; N375-K379 VanDerWaalsContact O-N 3.13Å; N375-K782 PolarHBondContact OD1-NZ 3.38Å
376T52Low40Very low39 Ų39104.1 Ų104.124%0.23955%0.545CS..Hα-helixtrans-51.3-41.5170.851.20000112.5D374 R378 K379 N380 S778D374-T376 PolarHBondContact O-N 2.96Å; T376-R378 VanDerWaalsContact C-N 3.34Å; T376-R378 PolarHBondContact O-N 2.6Å; T376-K379 PolarHBondContact O-N 3Å; T376-N380 WeakPolarHBondContact O-CB 3.11Å; T376-N380 VanDerWaalsContact O-CG 3.29Å; T376-N380 PolarHBondContact O-N 3.34Å; T376-N380 PolarHBondContact O-ND2 3.03Å; T376-S778 PolarHBondContact OG1-OG 2.86Å
377L46.5Very low40.2Very low5 Ų5101.3 Ų101.33%0.02654%0.542CS..Hα-helixtrans-59-40.8173.5-84.4175.4000112.8N375 N380 F381 N763 L774 D776 Y784 I826N375-L377 PolarHBondContact O-N 2.97Å; L377-N380 PolarHBondContact O-N 3.18Å; L377-F381 HydrophobicContact CB-CD2 4.23Å; L377-F381 HydrophobicContact CB-CE2 4.36Å; L377-F381 HydrophobicContact CD2-CD2 4.32Å; L377-F381 HydrophobicContact CD2-CE2 3.84Å; L377-F381 HydrophobicContact CD2-CZ 4.3Å; L377-F381 WeakPolarHBondContact O-CB 3.45Å; L377-F381 WeakPolarHBondContact O-CD2 3.26Å; L377-F381 WeakPolarHBondContact O-CG 3.35Å; L377-F381 PolarHBondContact O-N 3.42Å; L377-N763 WeakPolarHBondContact CD2-ND2 3.45Å; L377-L774 HydrophobicContact CD1-CD2 4.37Å; L377-D776 HydrophobicContact CD1-CB 3.76Å; L377-D776 WeakPolarHBondContact CD2-OD1 3.37Å; L377-D776 HydrophobicContact CG-CB 4.36Å; L377-D776 WeakPolarHBondContact CG-OD1 3.43Å; L377-Y784 HydrophobicContact CD1-CD2 4.09Å; L377-Y784 HydrophobicContact CD1-CE2 3.34Å; L377-I826 HydrophobicContact CD1-CG2 4.28Å
378R49.6Very low40.4Very low125 Ų125105.8 Ų105.847%0.47254%0.539SS..Hα-helixtrans-64.7-46.9178.4-171.9169.8-174.31721.8110N375 T376 F381 L382 L827N375-R378 HydrophobicContact CB-CB 3.91Å; N375-R378 WeakPolarHBondContact O-CA 3.33Å; N375-R378 WeakPolarHBondContact O-CB 3.48Å; N375-R378 PolarHBondContact O-N 2.88Å; T376-R378 VanDerWaalsContact C-N 3.34Å; T376-R378 PolarHBondContact O-N 2.6Å; R378-F381 PolarHBondContact O-N 3Å; R378-L382 HydrophobicContact CG-CD1 4.23Å; R378-L382 WeakPolarHBondContact O-CB 3.23Å; R378-L382 WeakPolarHBondContact O-CD1 3.26Å; R378-L382 VanDerWaalsContact O-CG 3.25Å; R378-L382 WeakPolarHBondContact O-CG 3.24Å; R378-L382 PolarHBondContact O-N 2.82Å; R378-L827 HydrophobicContact CB-CD2 4.16Å; R378-L827 HydrophobicContact CG-CD2 3.89Å
379K51Low40.6Very low113 Ų113105.4 Ų105.449%0.49154%0.537SS..Hα-helixtrans-60.4-45.4175.4-70.9175.2172.5172.20112.3D374 N375 T376 L382 K383D374-K379 VanDerWaalsContact OD1-CE 3.3Å; D374-K379 WeakPolarHBondContact OD1-CE 3.33Å; D374-K379 IonicContact OD1-NZ 3.17Å; D374-K379 PolarHBondContact OD1-NZ 3.22Å; D374-K379 IonicContact OD2-NZ 3.62Å; D374-K379 PolarHBondContact OD2-NZ 3.36Å; N375-K379 PolarHBondContact O-N 2.77Å; N375-K379 VanDerWaalsContact O-N 3.13Å; T376-K379 PolarHBondContact O-N 3Å; K379-L382 PolarHBondContact O-N 2.89Å; K379-K383 PolarHBondContact O-N 2.69Å
380N47.2Very low40.7Very low67 Ų67102 Ų10236%0.35852%0.524SS..Hα-helixtrans-71.6-34.8179-69.8-26.6000113T376 L377 L382 K383 L384T376-N380 WeakPolarHBondContact O-CB 3.11Å; T376-N380 VanDerWaalsContact O-CG 3.29Å; T376-N380 PolarHBondContact O-N 3.34Å; T376-N380 PolarHBondContact O-ND2 3.03Å; L377-N380 PolarHBondContact O-N 3.18Å; N380-L382 VanDerWaalsContact C-N 3.33Å; N380-K383 PolarHBondContact O-N 3.31Å; N380-L384 WeakPolarHBondContact O-CB 3.49Å; N380-L384 WeakPolarHBondContact O-CG 3.35Å; N380-L384 PolarHBondContact O-N 3.38Å
381F47.8Very low40.8Very low16 Ų16106.1 Ų106.17%0.0753%0.531CS..Hα-helixtrans-73.8-22.5175-83.6-42.9000113.8L377 R378 L384 W760 K823 I826L377-F381 HydrophobicContact CB-CD2 4.23Å; L377-F381 HydrophobicContact CB-CE2 4.36Å; L377-F381 HydrophobicContact CD2-CD2 4.32Å; L377-F381 HydrophobicContact CD2-CE2 3.84Å; L377-F381 HydrophobicContact CD2-CZ 4.3Å; L377-F381 WeakPolarHBondContact O-CB 3.45Å; L377-F381 WeakPolarHBondContact O-CD2 3.26Å; L377-F381 WeakPolarHBondContact O-CG 3.35Å; L377-F381 PolarHBondContact O-N 3.42Å; R378-F381 PolarHBondContact O-N 3Å; F381-L384 HydrophobicContact CD1-CD1 4.22Å; F381-W760 HydrophobicContact CZ-CH2 4.47Å; F381-K823 VanDerWaalsContact CB-CE 3.44Å; F381-K823 HydrophobicContact CD1-CD 4.3Å; F381-K823 HydrophobicContact CD1-CG 4.25Å; F381-K823 HydrophobicContact CD2-CG 4.4Å; F381-K823 HydrophobicContact CE1-CG 4.41Å; F381-K823 HydrophobicContact CG-CG 4.25Å; F381-K823 WeakPolarHBondContact O-CE 3.4Å; F381-K823 PolarHBondContact O-NZ 3.23Å; F381-I826 HydrophobicContact CE2-CD1 4.31Å; F381-I826 HydrophobicContact CE2-CG2 4.18Å
382L45.2Very low40.7Very low83 Ų83107.7 Ų107.744%0.43553%0.529SS..Hα-helixtrans-75.3-45.9167.4-73.3163.9000110.6R378 K379 N380 L384 Q385 E386R378-L382 HydrophobicContact CG-CD1 4.23Å; R378-L382 WeakPolarHBondContact O-CB 3.23Å; R378-L382 WeakPolarHBondContact O-CD1 3.26Å; R378-L382 VanDerWaalsContact O-CG 3.25Å; R378-L382 WeakPolarHBondContact O-CG 3.24Å; R378-L382 PolarHBondContact O-N 2.82Å; K379-L382 PolarHBondContact O-N 2.89Å; N380-L382 VanDerWaalsContact C-N 3.33Å; L382-L384 VanDerWaalsContact C-N 3.3Å; L382-L384 PolarHBondContact O-N 3.02Å; L382-Q385 CarbonylContact O-C 3.54Å; L382-Q385 VanDerWaalsContact O-CA 3.24Å; L382-Q385 WeakPolarHBondContact O-CA 3.38Å; L382-Q385 WeakPolarHBondContact O-CB 3.4Å; L382-Q385 PolarHBondContact O-N 3.27Å; L382-E386 WeakPolarHBondContact O-CG 3.46Å; L382-E386 PolarHBondContact O-N 3.43Å; L382-E386 VanDerWaalsContact O-N 3.14Å
383K45.3Very low40.8Very low132 Ų132105.1 Ų105.157%0.57453%0.526SS*.Hα-helixtrans-58-37.8172.6-73.4-176.9173.6-171.60113.9K379 N380 Q385 E386K379-K383 PolarHBondContact O-N 2.69Å; N380-K383 PolarHBondContact O-N 3.31Å; K383-Q385 PolarHBondContact O-N 3.47Å; K383-E386 WeakPolarHBondContact CA-OE2 3.34Å; K383-E386 PolarHBondContact O-N 2.99Å; K383-E386 VanDerWaalsContact O-N 3.08Å
384L43.7Very low40.4Very low134 Ų134106.8 Ų106.870%0.70254%0.542SS*.THydrogen-bonded Turntrans-69.8-5.6171.1-77.3166.4000114.2N380 F381 L382N380-L384 WeakPolarHBondContact O-CB 3.49Å; N380-L384 WeakPolarHBondContact O-CG 3.35Å; N380-L384 PolarHBondContact O-N 3.38Å; F381-L384 HydrophobicContact CD1-CD1 4.22Å; L382-L384 VanDerWaalsContact C-N 3.3Å; L382-L384 PolarHBondContact O-N 3.02Å
385Q40.6Very low40.2Very low137 Ų137105 Ų10564%0.6454%0.544SS*.THydrogen-bonded Turntrans-101.2-14172.5-147.5159.2-43.300111.4L382 K383L382-Q385 CarbonylContact O-C 3.54Å; L382-Q385 VanDerWaalsContact O-CA 3.24Å; L382-Q385 WeakPolarHBondContact O-CA 3.38Å; L382-Q385 WeakPolarHBondContact O-CB 3.4Å; L382-Q385 PolarHBondContact O-N 3.27Å; K383-Q385 PolarHBondContact O-N 3.47Å
386E41.1Very low39.5Very low116 Ų116110.1 Ų110.154%0.54258%0.579SS.*SBendtrans-95.720179.6-65.6158-170.200112.8L382 K383 R388L382-E386 WeakPolarHBondContact O-CG 3.46Å; L382-E386 PolarHBondContact O-N 3.43Å; L382-E386 VanDerWaalsContact O-N 3.14Å; K383-E386 WeakPolarHBondContact CA-OE2 3.34Å; K383-E386 PolarHBondContact O-N 2.99Å; K383-E386 VanDerWaalsContact O-N 3.08Å; E386-R388 VanDerWaalsContact C-N 3.27Å; E386-R388 PolarHBondContact O-N 3.33Å
387G31.7Very low38.6Very low71 Ų71116.9 Ų116.973%0.73261%0.607SS**  trans72.5-14.6162.200000118.9L389G387-L389 PolarHBondContact O-N 2.9Å
388R33.8Very low38Very low221 Ų221122.3 Ų122.383%0.83464%0.643SS**  trans-78.8115.7-177.6-77.7-168172.1-160.8-2.8113.7E386 V390E386-R388 VanDerWaalsContact C-N 3.27Å; E386-R388 PolarHBondContact O-N 3.33Å; R388-V390 PolarHBondContact O-N 3.34Å
389L31.2Very low37.2Very low156 Ų156122.4 Ų122.482%0.81766%0.657SS**  trans-63.1117.2159.5-75.4165.3000109.5G387G387-L389 PolarHBondContact O-N 2.9Å
390V30.5Very low36.1Very low104 Ų104127 Ų12763%0.6368%0.677SS**  trans-122.989167.4-173.70000108.1R388 E392R388-V390 PolarHBondContact O-N 3.34Å; V390-E392 HydrophobicContact CG1-CG 4.04Å
391F31.7Very low35.5Very low193 Ų193134.7 Ų134.785%0.84670%0.701SS**  trans-117.670.4166.9-128.8-78.4000106.9T393F391-T393 PolarHBondContact O-N 3.15Å
392E30.3Very low34.6Very low171 Ų171143.5 Ų143.580%0.79974%0.742SS**  trans-66.4116.7178.3-75.9-178.8145.100109.8V390V390-E392 HydrophobicContact CG1-CG 4.04Å
393T32.1Very low34.1Very low127 Ų127144.2 Ų144.278%0.77976%0.76SS**  trans-66.9135.516339.10000108.8F391 G395F391-T393 PolarHBondContact O-N 3.15Å; T393-G395 VanDerWaalsContact C-N 3.33Å; T393-G395 PolarHBondContact O-N 3.22Å
394P29.8Very low33.4Very low121 Ų121147.5 Ų147.579%0.78677%0.774SS**  trans-73.288.3177.829.3-34.1000110.2
395G32.7Very low33.2Very low54 Ų54146.7 Ų146.756%0.55778%0.777SS**PPolyproline II helixtrans-69.3146.1165.500000110.9T393 H397T393-G395 VanDerWaalsContact C-N 3.33Å; T393-G395 PolarHBondContact O-N 3.22Å; G395-H397 PolarHBondContact O-N 3.23Å
396P35.5Very low33.1Very low127 Ų127146.2 Ų146.283%0.82579%0.786SS**PPolyproline II helixtrans-69.8129-178.928.5-34000111P398P396-P398 WeakPolarHBondContact O-CD 3.47Å
397H32.4Very low32.8Very low182 Ų182146.7 Ų146.784%0.84380%0.802SS**PPolyproline II helixtrans-67.4123.4171.4-72.3-56.6000110.7G395G395-H397 PolarHBondContact O-N 3.23Å
398P34.8Very low33.1Very low119 Ų119146.8 Ų146.877%0.77380%0.803SS**PPolyproline II helixtrans-70.2132.9168.229.3-33000109.8P396 K400P396-P398 WeakPolarHBondContact O-CD 3.47Å; P398-K400 PolarHBondContact O-N 2.73Å
399V33.1Very low33.5Very low126 Ų126142.1 Ų142.176%0.76480%0.801SS**PPolyproline II helixtrans-67.8124.5-179.71780000110R401V399-R401 HydrophobicContact CG1-CG 4.36Å; V399-R401 PolarHBondContact O-N 2.96Å
400K28.2Very low33.8Very low209 Ų209139.7 Ų139.791%0.90980%0.798SS**  trans-64.797.7166.9-76.3-176.5176.1178.70109.8P398P398-K400 PolarHBondContact O-N 2.73Å
401R33.5Very low34.1Very low230 Ų230144.9 Ų144.987%0.86881%0.806SS**  trans-101.3124.4159.3-82.3-170.3168.2-167.3-3.6109.7V399V399-R401 HydrophobicContact CG1-CG 4.36Å; V399-R401 PolarHBondContact O-N 2.96Å
402Q29.5Very low34.5Very low201 Ų201143.7 Ų143.794%0.93980%0.803SS**  trans-78.9127.7170.9-66.4170-23.800109.1
403A33.8Very low34.9Very low97 Ų97140.1 Ų140.180%0.80279%0.792SS**  trans-154.4129.5161.200000108.8
404K31.8Very low35.3Very low202 Ų202142.3 Ų142.388%0.87879%0.794SS**PPolyproline II helixtrans-82.1136.3169.7-70.9179.9177.4178.70109.2
405P39.8Very low35.7Very low116 Ų116141.3 Ų141.375%0.75379%0.789SS**PPolyproline II helixtrans-73146.6152.632.2-31.8000110
406P38.4Very low35.8Very low127 Ų127149.5 Ų149.583%0.82580%0.804SS**PPolyproline II helixtrans-84.7173.4177.435-35.7000113.2
407S34.5Very low36.1Very low126 Ų126148.6 Ų148.688%0.88180%0.798SS**PPolyproline II helixtrans-84.4146.1-177.351.70000114.8
408G38.4Very low36.2Very low74 Ų74149.1 Ų149.176%0.76379%0.794SS**  trans-153.1143.2161.900000110.6
409P42.1Very low36.1Very low122 Ų122149.1 Ų149.179%0.79279%0.787SS**  trans-129.5-176.6-149.541.5-25.4000116.8
410S37Very low36Very low106 Ų106148.7 Ų148.774%0.74178%0.78SS**  trans80.4148.4166.7-70.60000117.2
411R37.6Very low36Very low212 Ų212145.1 Ų145.180%0.877%0.771SS**  cis-156.1136.17.9-131.6171.1-167.1-176.34.4112.6
412H39.2Very low35.8Very low169 Ų169139.8 Ų139.878%0.78277%0.769SS**  trans58.1159.7141.7-76.6-22.3000120.8
413V39Very low35.9Very low95 Ų95134.9 Ų134.958%0.57676%0.758SS**  cis-151.21418.4950000112.9
414Q40Very low35.9Very low173 Ų173135.6 Ų135.681%0.80876%0.757SS**  trans55.8159.2153-71.2159.719.300120.6
415S38.5Very low36.1Very low100 Ų100130.8 Ų130.870%0.69975%0.748SS**  cis-170164-15.9500000108.4
416R35.6Very low35.9Very low226 Ų226130.8 Ų130.885%0.85375%0.751SS**  cis-154.6164.4-23.2-111.8-174.9175.2-165.6-0.2109.1
417P41.5Very low35.8Very low108 Ų108129.2 Ų129.270%0.70174%0.743SS**  trans-113.8-138.9-169.644.1-34.9000114.1
418Y33.6Very low35.8Very low193 Ų193131 Ų13176%0.75774%0.743SS**  trans93.8148.5173.5-65.4-91.9000117.2
419N32.9Very low35.7Very low119 Ų119131.1 Ų131.164%0.63674%0.744SS**  cis-170.5161.3-32-155.117.4000113.3
420N30.9Very low35.4Very low117 Ų117131.2 Ų131.263%0.62674%0.742SS**  trans49.8129.7148-81.72.7000125.5
421N28.7Very low35.4Very low134 Ų134134.7 Ų134.772%0.71775%0.746SS**  trans77.9149.3131.3-65.2-7.4000123.9
422S29.9Very low35.3Very low118 Ų118131 Ų13183%0.82575%0.747SS**  trans64.1150.3166.148.40000117.7
423S30.8Very low35Very low99 Ų99126.9 Ų126.969%0.69274%0.742SS**  cis-168.9168.9-14.746.30000109.7
424S33.5Very low34.8Very low112 Ų112131.9 Ų131.978%0.78376%0.756SS**  trans62.2158.4167.347.70000117.7
425S35.3Very low34.6Very low101 Ų101132.5 Ų132.571%0.70676%0.759SS**  cis-167.8156.9-20.547.90000110.5
426S35.8Very low34.4Very low115 Ų115131.4 Ų131.480%0.80476%0.756SS**  trans65.6150.3155.2-63.60000119.7
427S36.5Very low34.4Very low94 Ų94130.7 Ų130.766%0.65776%0.759SS**  cis-166139.6-10.846.70000114
428N36Very low33.9Very low165 Ų165133.7 Ų133.788%0.88276%0.763SS**  trans61.2138.3142.6-57.8-14.6000122.7
429G36.2Very low33.9Very low76 Ų76131.2 Ų131.278%0.78477%0.768SS**  trans-170.76.9-179.400000120.8
430V35.9Very low33.8Very low124 Ų124131.2 Ų131.275%0.75277%0.772SS**  trans60.2103.3151.8-1800000121.3
431H36.3Very low33.9Very low179 Ų179129.9 Ų129.983%0.82978%0.778SS**  trans55.4163.3134.4-68.1-82.5000122.3
432V34.5Very low34Very low134 Ų134130 Ų13081%0.81278%0.783SS**  cis-133.8161.215.1-178.50000111.3
433A33.7Very low34.3Very low83 Ų83130.1 Ų130.169%0.68678%0.781SS**  trans-144.6167.3177.800000114.4
434K34.6Very low34.4Very low200 Ų200133 Ų13387%0.8779%0.788SS**  trans-177.8135.9154.1-92.5143.8-174.2-177.60108.1
435H35.5Very low34.4Very low186 Ų186133.8 Ų133.886%0.86178%0.783SS**  cis78.9141.333.8-77.4-3.2000116.2
436A34.8Very low34.3Very low77 Ų77134.6 Ų134.664%0.63678%0.78SS**  cis-178.9173.7-17.600000112
437K34.8Very low34.2Very low210 Ų210134.8 Ų134.891%0.91378%0.776SS**  trans113.4157.9147.5-62.8-172.5178.1-179.70120.2
438H31.6Very low34Very low172 Ų172138.7 Ų138.780%0.79678%0.781SS**  trans-136.7149.2-165.9-123.2-75000108.8
439V33.8Very low33.8Very low141 Ų141135.7 Ų135.786%0.85577%0.772SS**  trans-144.3165.3155.4-171.90000108.7
440T31.6Very low33.6Very low118 Ų118139.6 Ų139.672%0.72478%0.775SS**  trans-140.7175.1-168.446.80000113.6
441A31.5Very low33.4Very low90 Ų90137.5 Ų137.574%0.74477%0.77SS**  trans76.8150.1172.500000116
442T32.6Very low33.3Very low137 Ų137134.3 Ų134.384%0.8478%0.775SS**  cis-154.1161.60.4-4.10000109.7
443P35.3Very low33.1Very low119 Ų119130.9 Ų130.977%0.77377%0.767SS**  trans-106158.2-17438.8-30.8000115.1
444L33.8Very low33.5Very low161 Ų161133.1 Ų133.184%0.84378%0.775SS**  trans-153123.3162.3-104.6171.9000113.5
445N31.9Very low33.8Very low127 Ų127128.8 Ų128.868%0.67977%0.767SS**  trans36.7137.6138.8-82.340.8000126.6
446D33.3Very low33.8Very low119 Ų119127.9 Ų127.964%0.63677%0.769SS**  95.3117.3124.8-78-31.2000124.7
447T33.4Very low33.8Very low119 Ų119130.8 Ų130.873%0.7377%0.774SS**  trans75.1149.8136.758.30000121.4
448K32.8Very low34Very low176 Ų176126.2 Ų126.277%0.76577%0.765SS**  cis-179.1156.6-18.8-171.3-177.1-160.4170.60109.4
449C31.2Very low34Very low102 Ų102127.7 Ų127.769%0.68976%0.764SS**  trans57167.8166.134.70000117.3
450N31.9Very low34.1Very low158 Ų158128.4 Ų128.485%0.84576%0.757SS**  cis-164.9171.1-18.4-101.30.9000107.2
451A32Very low34.1Very low79 Ų79132.1 Ų132.165%0.65376%0.763SS**  cis-173174.1-27.200000109.1
452A34.3Very low34Very low112 Ų112136.8 Ų136.893%0.92677%0.772SS**  trans66.2161.2179.200000116
453G30.6Very low34Very low63 Ų63135.1 Ų135.165%0.64977%0.772SS**  cis-176.5147.5-8.900000111
454P41.7Very low33.8Very low130 Ų130139 Ų13984%0.84478%0.779SS**  trans-91.8160-17336.5-36.1000113.9
455P41Very low33.7Very low109 Ų109134.7 Ų134.771%0.70878%0.775SS**  trans-146.1143.4134.136.7-21.1000117.5
456N35Very low33.6Very low167 Ų167135.7 Ų135.789%0.89378%0.778SS**  trans68.4161.7135.2-64.8-19000124
457N35.3Very low33.6Very low138 Ų138135.6 Ų135.674%0.73878%0.782SS**  trans-149.2135.6-167.6163.532.6000108.8
458P39.6Very low33.3Very low114 Ų114137.4 Ų137.474%0.7479%0.787SS**  trans-118.9121.8153.218.41.2000110.7
459R31Very low33.2Very low202 Ų202133.6 Ų133.676%0.76279%0.788SS**  76.1146.370.5-80.6-170.3167.5-168.2-0.2114.9
460H36.1Very low33.1Very low156 Ų156133.7 Ų133.772%0.72280%0.797SS**  trans74.3147.7173.7-57.6-68.1000115.6
461K32.4Very low33.1Very low196 Ų196130.3 Ų130.385%0.85279%0.791SS**  cis-143.71614.8-128.2157-172.4179.50110.4
462M28.2Very low33.2Very low189 Ų189133.4 Ų133.493%0.93180%0.795SS**  trans-93.1155.1168.8-68.117917500110.9
463A32.9Very low33.1Very low101 Ų101133.2 Ų133.284%0.83579%0.786SS**  trans-152145.2158.200000110.9
464H32.1Very low33Very low200 Ų200139.2 Ų139.293%0.92680%0.795SS**  trans-100.8152166.5-91-95.4000109.5
465G32.1Very low32.5Very low72 Ų72140.1 Ų140.174%0.74280%0.797SS**  trans-149.7145.5172.600000111.9
466I28.9Very low31.8Very low147 Ų147145.8 Ų145.875%0.75481%0.805SS**  trans-139.6175.2177.9-62.6-179.2000106.5
467V33.3Very low31.7Very low118 Ų118146.7 Ų146.772%0.71580%0.801SS**  trans70.7109.7173.9-76.20000119.5
468D27.5Very low31.5Very low157 Ų157150.6 Ų150.684%0.8481%0.805SS**  53159.9118.2-70.6-64.6000125.2
469A30.6Very low31.1Very low95 Ų95154.3 Ų154.379%0.78581%0.812SS**  trans83.592.1155.200000121.4
470A28.6Very low31.7Very low105 Ų105150.2 Ų150.287%0.86881%0.812SS**  trans7.6143.1137.500000123.7
471A31.8Very low31.6Very low87 Ų87149 Ų14972%0.71982%0.818SS**  trans-165.3124.213800000116.1
472I33.5Very low31.5Very low144 Ų144144.9 Ų144.974%0.73882%0.821SS**  46.8112.1128.8-58.6159.9000119
473S32.4Very low31.7Very low107 Ų107139.6 Ų139.675%0.74881%0.814SS**  -170.5133.677.7-660000110.8
474K28.9Very low31.7Very low190 Ų190146.2 Ų146.283%0.82682%0.817SS**  8794.453.2-78.8-173.9178.6173.90116.9
475V31.5Very low31.6Very low149 Ų149141.5 Ų141.590%0.90381%0.807SS**  trans-143.8153141.7-178.20000108.5
476R26.3Very low31.6Very low228 Ų228145 Ų14586%0.8681%0.809SS**  trans-159.9124.4-160.2-178.2-165.3-163.8-169.78114.9
477F32.5Very low31.7Very low185 Ų185146.6 Ų146.681%0.81181%0.813SS**  trans-146108.3161-91.2-89000109.6
478R30.8Very low31.6Very low221 Ų221147.6 Ų147.683%0.83482%0.819SS**  78.7105.385.9-77.8-166.6-178.8-166.41.3114.8
479H31.5Very low31.7Very low191 Ų191150.4 Ų150.488%0.88482%0.818SS**  trans-93.9150.2154.8-77.6-84.5000110.4
480P43.1Very low31.8Very low116 Ų116153.2 Ų153.275%0.75382%0.815SS**  trans-88.3150.3163.235.1-32.1000112.2
481P34.6Very low31.9Very low132 Ų132154.1 Ų154.186%0.85781%0.81SS**  trans-91.5-176.5177.137.5-35.7000113.7
482A30.5Very low31.8Very low109 Ų109154.1 Ų154.190%0.90181%0.81SS**  trans-81.3158.3-166.300000116.6
483G33.4Very low31.8Very low77 Ų77152 Ų15279%0.79481%0.814SS**  trans-133166.6167.600000111.3
484R31.7Very low31.7Very low240 Ų240152 Ų15291%0.90681%0.806SS**  trans-109.1162.8-164.4-78.5177.7163.3172-6115.6
485S30.4Very low31.9Very low101 Ų101152 Ų15271%0.70680%0.8SS**  trans83.2149.3136.147.50000122.8
486N32.9Very low32Very low145 Ų145155.2 Ų155.278%0.77580%0.796SS**  trans71.3119170.6-54.1-13.1000115.6
487Q29Very low32.3Very low182 Ų182149 Ų14985%0.8579%0.787SS**  cis78.4157.339.8-65.8-154.2400115.4
488V33.3Very low32.5Very low139 Ų139147.9 Ų147.984%0.84279%0.79SS**  trans80103.7-164.7-174.70000110.2
489R28.1Very low32.7Very low215 Ų215148.4 Ų148.481%0.81179%0.792SS**  cis68.2109.447.2-143.2-167.6-163.5177.23.4109.5
490E32.5Very low33.2Very low154 Ų154144.8 Ų144.872%0.7279%0.786SS**  -174.7141.386.3-91.5-179.7168.100108.5
491T30.6Very low32.9Very low124 Ų124151.2 Ų151.276%0.76180%0.795SS**  41.714091.559.90000116.4
492A30.7Very low32.8Very low88 Ų88149.4 Ų149.473%0.72779%0.785SS**  cis-173.2170.1-1500000109.5
493A32.2Very low33.2Very low99 Ų99152.8 Ų152.882%0.81878%0.782SS**  trans62.8158.7160.400000116.1
494D31.6Very low33.2Very low108 Ų108159.1 Ų159.158%0.57878%0.782SS**  cis-173.1164.712.9-150.9-17.3000108.3
495R32.6Very low33.4Very low190 Ų190154.2 Ų154.272%0.71777%0.773SS**  trans64.3152.2158.4-66.4154.4-146.4-1598.9117.7
496R34Very low33.7Very low215 Ų215154.8 Ų154.881%0.81178%0.775SS**  cis-144.7155.71.9-128.3159.8-167.11750.6112
497S33.3Very low33.8Very low97 Ų97152.9 Ų152.968%0.67877%0.772SS**  trans-53158.4170.950.30000116.3
498D36.2Very low34.2Very low163 Ų163149.3 Ų149.387%0.87277%0.765SS**  -151.8170.4113.1-125.6-40.6000114.5
499R35.5Very low34.3Very low232 Ų232150.5 Ų150.588%0.87577%0.765SS**  trans-121168.5-163.4-105.3-165.3171.2-170.2-0.3116
500P42.2Very low34.4Very low115 Ų115145.1 Ų145.175%0.74776%0.76SS**  trans-99.4-179-165.540.6-39.1000115.6
501R35Very low34.7Very low251 Ų251142.6 Ų142.695%0.94776%0.757SS**  trans-128.6162.2162.5-84.4-172171.1-174.2-1.9112.2
502S33.9Very low34.6Very low94 Ų94144.5 Ų144.566%0.65776%0.762SS**  trans-149.1149.7-172.263.30000113.4
503H39.3Very low34.6Very low180 Ų180144.8 Ų144.883%0.83376%0.764SS**  trans-135.7124.3153.3-66-93.6000105.8
504R33.3Very low34.3Very low210 Ų210144 Ų14479%0.79276%0.758SS**  62.1138.265.1-66.4-170.3176.4-1314.3113.1
505L35.7Very low34.2Very low137 Ų137144 Ų14472%0.71777%0.766SS**  cis-168.5-166.2-12.3-99.3170000105.1
506P35.6Very low33.9Very low113 Ų113140 Ų14073%0.73477%0.767SS**  -122.4-176.9-67.139.7-24.1000114.4
507S34.5Very low33.7Very low104 Ų104139.9 Ų139.973%0.72777%0.773SS**  trans-86-164.2160.8580000110.6
508P38.5Very low33.4Very low107 Ų107140 Ų14070%0.69578%0.779SS**  cis-144-157.35.836.8-11000115.7
509I34.2Very low33.1Very low165 Ų165138.4 Ų138.485%0.84678%0.781SS**  trans134.4145.9147.9-67.9161.1000114.9
510S32Very low32.8Very low102 Ų102132.7 Ų132.771%0.71378%0.777SS**  trans-125.1-156.4-174.855.70000109.4
511P38.9Very low32.1Very low100 Ų100132.8 Ų132.865%0.64978%0.779SS**  cis-144.6-174.5-3.242.9-22.3000117.8
512L27.9Very low31.7Very low164 Ų164126.1 Ų126.186%0.85977%0.77SS**  trans73.1152.9142.2-85.3162.2000124.5
513A30.3Very low31.4Very low95 Ų95128.5 Ų128.579%0.78577%0.774SS**  trans68.6161.4159.800000119.4
514A26.5Very low31.1Very low83 Ų83127.8 Ų127.869%0.68677%0.771SS**  cis-170.6174.6-3500000108.6
515S28.7Very low30.8Very low107 Ų107122.8 Ų122.875%0.74876%0.761SS**  trans58.3133.4-179.161.10000116.3
516S26.1Very low30.7Very low106 Ų106123.3 Ų123.374%0.74177%0.769SS**  cis86.693.631.384.30000115.1
517F30.5Very low30.4Very low213 Ų213123.4 Ų123.493%0.93476%0.759SS**  trans-137.6120.7151.7-100.8-79.1000110
518A26.1Very low30.1Very low98 Ų98128.1 Ų128.181%0.8176%0.761SS**  trans-96.3148.916200000108.5
519S31.6Very low29.8Very low130 Ų130131.6 Ų131.691%0.90977%0.766SS**  trans-153.3134.5161.3-162.60000109.4
520S29.1Very low29.6Very low113 Ų113131.7 Ų131.779%0.7976%0.762SS**  trans-133.7143.2-178.358.80000110.8
521C26.9Very low29.6Very low117 Ų117132.1 Ų132.179%0.79177%0.765SS**  trans-157.4125.6160.8-107.30000106.1
522C25.8Very low29.2Very low110 Ų110132 Ų13274%0.74377%0.773SS**  68.9129.279.4-66.40000111.7
523L28Very low29.2Very low145 Ų145130.1 Ų130.176%0.75977%0.77SS**  cis-151.7-1711.3-104.7170.4000107.3
524Q32.7Very low29.2Very low164 Ų164133.1 Ų133.177%0.76677%0.772SS**  cis-146.7-133.916.6-151.8175.588.800112.6
525N26.9Very low29.3Very low106 Ų106136.9 Ų136.957%0.56778%0.779SS**  trans-123.1151.6-173.1-68.3-80.1000113.3
526V33.8Very low29.3Very low147 Ų147139.4 Ų139.489%0.89178%0.784SS**  trans-139.1152.7131.5-176.70000108.3
527Q29.7Very low29.6Very low115 Ų115143.1 Ų143.154%0.53778%0.782SS.*  trans-132.5178.9-171.6-50-175.9-500110.1
528R28.4Very low30Very low204 Ų204140.4 Ų140.477%0.7777%0.766SS**  cis-165.1152.514.1-156.2169177.7133.3-17.5110.7
529K31.4Very low30.6Very low180 Ų180138.9 Ų138.978%0.78375%0.747SS**  trans155.6-135.7139.1-82.5-173.5172-174.50113.3
530H31.3Very low31.1Very low167 Ų167135.8 Ų135.877%0.77372%0.718SS**  trans-149.1167.3-151.6-49.2-81.3000109.8
531S31.6Very low31.8Very low110 Ų110133.4 Ų133.477%0.76970%0.697SS**  cis-157.815220.546.30000114.9
532A30.1Very low32.3Very low99 Ų99128.6 Ų128.682%0.81866%0.663SS**  trans71.3145.2160.600000119.3
533P27.4Very low33.2Very low124 Ų124127.1 Ų127.181%0.80565%0.648SS**  trans-106.8155.5-168.339.9-33.4000115
534I30.4Very low34.2Very low158 Ų158125 Ų12581%0.8164%0.637SS**  trans-127.4129.6161.5-64178.9000108.2N536I534-N536 PolarHBondContact O-N 2.63Å
535L29Very low34.5Very low162 Ų162118.2 Ų118.285%0.84861%0.606SS**  trans-72.8110.2176.9-83.7157.6000110.6R537L535-R537 VanDerWaalsContact C-N 3.35Å; L535-R537 PolarHBondContact O-N 2.92Å
536N28.6Very low35.2Very low159 Ų159114.8 Ų114.885%0.8559%0.592SS**  trans-69.389.1167.8-83.7-20.9000110.1I534I534-N536 PolarHBondContact O-N 2.63Å
537R32Very low35.8Very low184 Ų184108.3 Ų108.369%0.69455%0.554SS**  trans-70.7154.6160.3-70-159176.8-150.64.8110.7L535 D541L535-R537 VanDerWaalsContact C-N 3.35Å; L535-R537 PolarHBondContact O-N 2.92Å; R537-D541 WeakPolarHBondContact CD-OD2 3.08Å; R537-D541 IonicContact NH1-OD2 2.91Å; R537-D541 PolarHBondContact NH1-OD2 2.99Å; R537-D541 VanDerWaalsContact NH1-OD2 3.11Å
538R38.9Very low36.5Very low157 Ų157108.2 Ų108.259%0.59255%0.553SS**  trans-98.9168-166.6-62.2-169.9-173.5172.20.3111.8E540R538-E540 WeakPolarHBondContact CB-OE1 3.17Å; R538-E540 WeakPolarHBondContact CD-OE1 3.36Å; R538-E540 IonicContact NH1-OE1 3.72Å; R538-E540 IonicContact NH1-OE2 2.79Å; R538-E540 PolarHBondContact O-N 2.88Å; R538-E540 VanDerWaalsContact O-N 3.09Å
539P37.9Very low37.2Very low65 Ų6599.2 Ų99.242%0.42252%0.52SS..THydrogen-bonded Turntrans-65.5-10.2-179.6-16.230.9000114.8
540E42.9Very low38Very low65 Ų6592.5 Ų92.530%0.30450%0.497SS..THydrogen-bonded Turntrans-70.8-27.8-171.9-66.5148.7-104.300113.1R538 L542R538-E540 WeakPolarHBondContact CB-OE1 3.17Å; R538-E540 WeakPolarHBondContact CD-OE1 3.36Å; R538-E540 IonicContact NH1-OE1 3.72Å; R538-E540 IonicContact NH1-OE2 2.79Å; R538-E540 PolarHBondContact O-N 2.88Å; R538-E540 VanDerWaalsContact O-N 3.09Å; E540-L542 VanDerWaalsContact C-N 3.25Å; E540-L542 PolarHBondContact O-N 3.24Å
541D43.4Very low38.8Very low64 Ų6490 Ų9034%0.34249%0.485SS..Hα-helixtrans-67-22.2-178-70.19.6000113R537 L545R537-D541 WeakPolarHBondContact CD-OD2 3.08Å; R537-D541 IonicContact NH1-OD2 2.91Å; R537-D541 PolarHBondContact NH1-OD2 2.99Å; R537-D541 VanDerWaalsContact NH1-OD2 3.11Å; D541-L545 WeakPolarHBondContact O-CB 3.3Å; D541-L545 PolarHBondContact O-N 2.91Å
542L38.8Very low39.2Very low15 Ų1588.2 Ų88.28%0.07947%0.465CS..Hα-helixtrans-80.2-35-166.6-161.470.6000114E540 A546 Y855 E856 R857 I858E540-L542 VanDerWaalsContact C-N 3.25Å; E540-L542 PolarHBondContact O-N 3.24Å; L542-A546 PolarHBondContact O-N 3.24Å; L542-A546 VanDerWaalsContact O-N 3.15Å; L542-Y855 HydrophobicContact CD1-CD1 4.22Å; L542-Y855 HydrophobicContact CD1-CE1 3.99Å; L542-E856 HydrophobicContact CD1-CB 4.15Å; L542-E856 HydrophobicContact CD1-CG 4.41Å; L542-R857 HydrophobicContact CD2-CB 4.26Å; L542-I858 HydrophobicContact CD1-CD1 4.15Å; L542-I858 HydrophobicContact CD2-CD1 4.01Å; L542-I858 HydrophobicContact CD2-CG1 4.19Å; L542-I858 HydrophobicContact CG-CD1 4.01Å
543D44.7Very low39.6Very low80 Ų8085.6 Ų85.643%0.42845%0.448SS..Hα-helixtrans-86.6-27.5-179.4-70.5-71.7000111.9A546 A547D543-A546 PolarHBondContact O-N 3.44Å; D543-A547 WeakPolarHBondContact O-CB 3.22Å; D543-A547 PolarHBondContact O-N 2.78Å
544L47.4Very low40.2Very low99 Ų9985.5 Ų85.552%0.51844%0.441SS..Hα-helixtrans-58.2-51163-76.5168.5000110.9A546 A547 E548L544-A546 VanDerWaalsContact C-N 3.29Å; L544-A546 PolarHBondContact O-N 3.32Å; L544-A547 CarbonylContact O-C 3.58Å; L544-A547 WeakPolarHBondContact O-CA 3.36Å; L544-A547 WeakPolarHBondContact O-CB 3.18Å; L544-A547 PolarHBondContact O-N 2.94Å; L544-E548 PolarHBondContact O-N 2.8Å
545L39Very low40.4Very low22 Ų2285.2 Ų85.212%0.11544%0.44CS..Hα-helixtrans-58.5-40.6176.2-174.569.1000111.8D541 A547 L549 Y855 A906D541-L545 WeakPolarHBondContact O-CB 3.3Å; D541-L545 PolarHBondContact O-N 2.91Å; L545-A547 VanDerWaalsContact C-N 3.32Å; L545-A547 PolarHBondContact O-N 3.42Å; L545-L549 HydrophobicContact CD1-CD1 4.13Å; L545-L549 HydrophobicContact CD1-CG 4.4Å; L545-L549 HydrophobicContact CG-CD1 3.84Å; L545-L549 HydrophobicContact CG-CG 4.49Å; L545-L549 VanDerWaalsContact O-CB 3.31Å; L545-L549 WeakPolarHBondContact O-CB 3.26Å; L545-L549 WeakPolarHBondContact O-CD1 3.22Å; L545-L549 VanDerWaalsContact O-CG 3.22Å; L545-L549 WeakPolarHBondContact O-CG 3.45Å; L545-L549 PolarHBondContact O-N 3.38Å; L545-Y855 HydrophobicContact CD2-CD1 4.47Å; L545-Y855 HydrophobicContact CD2-CE1 3.72Å; L545-A906 HydrophobicContact CD1-CB 4.04Å; L545-A906 HydrophobicContact CD2-CB 3.95Å
546A41.6Very low40.7Very low34 Ų3485.3 Ų85.328%0.28143%0.434SS..Hα-helixtrans-64.8-34.5174.500000112.8L542 D543 L544 S550L542-A546 PolarHBondContact O-N 3.24Å; L542-A546 VanDerWaalsContact O-N 3.15Å; D543-A546 PolarHBondContact O-N 3.44Å; L544-A546 VanDerWaalsContact C-N 3.29Å; L544-A546 PolarHBondContact O-N 3.32Å; A546-S550 WeakPolarHBondContact O-CB 3.41Å; A546-S550 PolarHBondContact O-N 3.42Å; A546-S550 VanDerWaalsContact O-N 3.15Å; A546-S550 PolarHBondContact O-OG 3.19Å
547A47.5Very low40.9Very low11 Ų1188.4 Ų88.49%0.09144%0.435CS..Hα-helixtrans-74.4-37.8177.100000113.2D543 L544 L545 Q551D543-A547 WeakPolarHBondContact O-CB 3.22Å; D543-A547 PolarHBondContact O-N 2.78Å; L544-A547 CarbonylContact O-C 3.58Å; L544-A547 WeakPolarHBondContact O-CA 3.36Å; L544-A547 WeakPolarHBondContact O-CB 3.18Å; L544-A547 PolarHBondContact O-N 2.94Å; L545-A547 VanDerWaalsContact C-N 3.32Å; L545-A547 PolarHBondContact O-N 3.42Å; A547-Q551 WeakPolarHBondContact O-CG 3.47Å; A547-Q551 PolarHBondContact O-N 3.4Å; A547-Q551 VanDerWaalsContact O-N 3.12Å; A547-Q551 PolarHBondContact O-NE2 3.1Å
548E45.3Very low40.9Very low113 Ų11388 Ų8853%0.52845%0.447SS..Hα-helixtrans-69.3-49.1175.4-70.3-173.5131.200111.5L544 S550 Q551 M552L544-E548 PolarHBondContact O-N 2.8Å; E548-S550 PolarHBondContact O-N 3.11Å; E548-Q551 WeakPolarHBondContact O-CB 3.4Å; E548-Q551 PolarHBondContact O-N 3.31Å; E548-M552 HydrophobicContact CB-CE 4.41Å; E548-M552 PolarHBondContact O-N 2.83Å
549L42.1Very low40.5Very low15 Ų1585.5 Ų85.58%0.07946%0.46CS..Hα-helixtrans-60.2-32.4175.8-69.3169.5000112.2L545 G553 F885 L908 L923 D924L545-L549 HydrophobicContact CD1-CD1 4.13Å; L545-L549 HydrophobicContact CD1-CG 4.4Å; L545-L549 HydrophobicContact CG-CD1 3.84Å; L545-L549 HydrophobicContact CG-CG 4.49Å; L545-L549 VanDerWaalsContact O-CB 3.31Å; L545-L549 WeakPolarHBondContact O-CB 3.26Å; L545-L549 WeakPolarHBondContact O-CD1 3.22Å; L545-L549 VanDerWaalsContact O-CG 3.22Å; L545-L549 WeakPolarHBondContact O-CG 3.45Å; L545-L549 PolarHBondContact O-N 3.38Å; L549-G553 PolarHBondContact O-N 3.2Å; L549-F885 HydrophobicContact CB-CZ 4.36Å; L549-F885 HydrophobicContact CD1-CZ 4Å; L549-L908 HydrophobicContact CD1-CD1 3.53Å; L549-L908 HydrophobicContact CD1-CG 4.2Å; L549-L923 HydrophobicContact CD2-CB 4.32Å; L549-D924 VanDerWaalsContact CD2-OD1 3.26Å; L549-D924 WeakPolarHBondContact CD2-OD1 3.31Å
550S47.3Very low40.1Very low40 Ų4087.5 Ų87.528%0.2848%0.482SS..Hα-helixtrans-74.4-26173.9-63.50000113.7A546 E548 N554A546-S550 WeakPolarHBondContact O-CB 3.41Å; A546-S550 PolarHBondContact O-N 3.42Å; A546-S550 VanDerWaalsContact O-N 3.15Å; A546-S550 PolarHBondContact O-OG 3.19Å; E548-S550 PolarHBondContact O-N 3.11Å; S550-N554 PolarHBondContact O-ND2 3.49Å
551Q48.2Very low39.7Very low113 Ų11389.5 Ų89.553%0.52851%0.509SS..Hα-helixtrans-76.2-47.2173.4-76.2169.395.500110.5A547 E548 G553 N554A547-Q551 WeakPolarHBondContact O-CG 3.47Å; A547-Q551 PolarHBondContact O-N 3.4Å; A547-Q551 VanDerWaalsContact O-N 3.12Å; A547-Q551 PolarHBondContact O-NE2 3.1Å; E548-Q551 WeakPolarHBondContact O-CB 3.4Å; E548-Q551 PolarHBondContact O-N 3.31Å; Q551-G553 PolarHBondContact O-N 3.2Å; Q551-N554 PolarHBondContact O-N 3.32Å
552M40.1Very low39Very low73 Ų7391.8 Ų91.836%0.3654%0.537SS..Hα-helixtrans-68.3-20.9176.8-63-171.6-76.800113.2E548 N554 D924E548-M552 HydrophobicContact CB-CE 4.41Å; E548-M552 PolarHBondContact O-N 2.83Å; M552-N554 VanDerWaalsContact C-N 3.32Å; M552-N554 PolarHBondContact O-N 3.39Å; M552-D924 HydrophobicContact CE-CB 3.57Å; M552-D924 WeakPolarHBondContact CE-OD1 3.3Å; M552-D924 HydrophobicContact SD-CB 3.67Å
553G39.5Very low38.6Very low44 Ų4495.2 Ų95.245%0.45457%0.567SS.*THydrogen-bonded Turntrans-68.8-18172.400000116.1L549 Q551L549-G553 PolarHBondContact O-N 3.2Å; Q551-G553 PolarHBondContact O-N 3.2Å
554N39Very low38Very low123 Ų12398.9 Ų98.966%0.65859%0.587SS**THydrogen-bonded Turntrans-96.2-7.2-172.8-80.2-68.4000115S550 Q551 M552 K556S550-N554 PolarHBondContact O-ND2 3.49Å; Q551-N554 PolarHBondContact O-N 3.32Å; M552-N554 VanDerWaalsContact C-N 3.32Å; M552-N554 PolarHBondContact O-N 3.39Å; N554-K556 PolarHBondContact O-N 2.98Å
555L34.7Very low37.3Very low151 Ų151100 Ų10079%0.79160%0.602SS**THydrogen-bonded Turntrans-89.747.2-174.5-76.2165.8000114.2
556K35Very low36.9Very low164 Ų164104.8 Ų104.871%0.71364%0.636SS**THydrogen-bonded Turntrans-160.420.6172.2-114.1154.2-171.11750117.5N554N554-K556 PolarHBondContact O-N 2.98Å
557Y33.5Very low36.4Very low224 Ų224114.4 Ų114.488%0.87867%0.665SS**SBendtrans-141.758178.3-98.2-80.3000113.5
558N32.5Very low35.8Very low176 Ų176119.1 Ų119.194%0.94170%0.697SS**SBendtrans-157.138.1173.2-107.3-23.5000114.1
559A29.9Very low35.2Very low105 Ų105123 Ų12387%0.86871%0.712SS**SBendtrans-139.441.8-174.100000113.9
560A30.5Very low34.7Very low107 Ų107127 Ų12788%0.88475%0.747SS**SBendtrans-150.88.9-17800000115.8
561A32.9Very low34.2Very low107 Ų107130.5 Ų130.588%0.88477%0.772SS**SBendtrans-130.617.9-166.900000114.9
562A30.5Very low33.6Very low111 Ų111134.2 Ų134.292%0.91779%0.788SS**  trans-132.252.6-173.700000112.5
563A29.4Very low33.5Very low87 Ų87135 Ų13572%0.71981%0.807SS**  trans-140.7152.4169.400000109.9
564N32.4Very low33.1Very low157 Ų157139.5 Ų139.584%0.8482%0.82SS**  trans68.780.1177.2-58.6-20.6000118
565C32.1Very low32.9Very low122 Ų122141.7 Ų141.782%0.82483%0.827SS**  -168.1146.1129.4-100.10000112.7
566C32.1Very low33Very low123 Ų123140.8 Ų140.883%0.83183%0.828SS**  trans48.1104.7163.1-53.70000117.5
567R30.4Very low33.3Very low237 Ų237138.5 Ų138.589%0.89483%0.83SS**  cis75.8121.131.5-152.3-179.2-167.9-167.34.4115.5
568S33.6Very low33.6Very low109 Ų109133.8 Ų133.876%0.76283%0.826SS**  trans69.8144.3176.973.90000116.3
569K34.1Very low33.7Very low196 Ų196133.3 Ų133.385%0.85282%0.823SS**  cis-152125.5-5.1-110160.2179.3-177.40105.8
570A32.1Very low34.4Very low98 Ų98133.5 Ų133.581%0.8182%0.815SS**  88103.97500000115.8
571S35.7Very low35Very low114 Ų114134.3 Ų134.380%0.79781%0.812SS**  trans-167.9134.1149.6590000112.6
572H36.7Very low35.3Very low190 Ų190134.5 Ų134.588%0.8880%0.804SS**  trans-20.6159.2169.9-53.7-86.2000120.2
573A36.2Very low35.6Very low91 Ų91139.8 Ų139.875%0.75280%0.8SS**  cis-149.8-173.51900000114.8
574N32.5Very low35.9Very low137 Ų137142.2 Ų142.273%0.73380%0.801SS**  trans-43.4165.3172.8-6112.1000115.3
575E34.9Very low36.1Very low170 Ų170138.7 Ų138.779%0.79479%0.793SS**  cis-154.818030.9-150.6136.6-104.300114.7
576T35.4Very low36.1Very low131 Ų131137.8 Ų137.880%0.80479%0.789SS**  trans-90.7159.2-165.4340000117.1
577P41.9Very low36.3Very low117 Ų117139.4 Ų139.476%0.7679%0.787SS**  trans-102.8171.4-174.741-36.9000115
578P39.2Very low36.3Very low124 Ų124133.1 Ų133.181%0.80578%0.779SS**  trans-124.5163.4158.637.6-25.7000115.2
579L35.7Very low36.1Very low167 Ų167133 Ų13387%0.87478%0.778SS**  trans-116-165171.1-85.9157.6000109.8
580P44.9Very low36Very low109 Ų109128.9 Ų128.971%0.70877%0.774SS**  -99.7-167.7-108.437.2-16.8000113.9
581P42.6Very low36Very low124 Ų124128.7 Ų128.781%0.80577%0.772SS**  -149.7170118.138.1-22.3000116.5
582P40.1Very low35.9Very low110 Ų110131.9 Ų131.971%0.71478%0.779SS**  trans-119.6179.6175.742.7-32.4000115.4
583R35.5Very low35.9Very low223 Ų223127.1 Ų127.184%0.84277%0.773SS**  trans74153.2167.5-68.5-178.7173.6177.3-0.8116.7
584D36.9Very low36.4Very low138 Ų138128.1 Ų128.174%0.73877%0.771SS**  cis-160.7172.9-7.9-110.5-28.3000112.6
585A35.6Very low36.8Very low82 Ų82129.7 Ų129.768%0.67877%0.774SS**  trans72.8100.6147.400000125.8
586S32.9Very low36.9Very low104 Ų104128.4 Ų128.473%0.72777%0.768SS**  86.4149.5109.985.40000125.7
587I35.4Very low37Very low156 Ų156126.9 Ų126.980%0.876%0.755SS**  trans82.797.5154.8-59.4167.1000122.3
588S30.4Very low36.9Very low105 Ų105131.7 Ų131.773%0.73476%0.758SS**  64.5150.3120.9-144.80000126.7
589C29.9Very low37.3Very low108 Ų108130.9 Ų130.973%0.7375%0.753SS**  trans86.6104.2151.1-73.40000123.4
590S31.5Very low37.5Very low109 Ų109130 Ų13076%0.76275%0.748SS**  82.7105.6116.3-57.30000124
591A31.9Very low37.1Very low94 Ų94132.2 Ų132.278%0.77775%0.747SS**  99.6159115.500000122.9
592L34.6Very low36.9Very low180 Ų180132.5 Ų132.594%0.94274%0.741SS**  trans87.9129.6167.3-57.5174.1000119.9
593A36.7Very low36.9Very low91 Ų91130.9 Ų130.975%0.75275%0.745SS**  trans-126.4-178.7169.100000108.6
594P46.5Very low36.9Very low111 Ų111125.5 Ų125.572%0.72174%0.74SS**  -158.9155.5108.239.4-21000118.7
595H40Very low36.9Very low170 Ų170127.2 Ų127.279%0.78774%0.741SS**  trans60.6158138.9-75.2-126.1000120.4
596E36.9Very low36.8Very low143 Ų143130.7 Ų130.767%0.66875%0.748SS**  cis-156.7152.68-139.3-172.1-143.100116.6
597N38.3Very low36.8Very low99 Ų99129.6 Ų129.653%0.52975%0.753SS.*  trans57.5153.7141.9-78.9-18.6000122.9
598R39.2Very low36.9Very low219 Ų219128.5 Ų128.583%0.82675%0.754SS**  cis-154.5172.53.2-119.1156.2-164.4-121.32.4112.2
599P48.5Very low37.2Very low106 Ų106129 Ų12969%0.68876%0.758SS**  trans-136.2-140-14948.3-33.3000117.3
600L38.5Very low37.9Very low148 Ų148130.3 Ų130.378%0.77577%0.765SS**  trans98.1145.6171.3-51.5169.9000115.2
601K38.4Very low38.1Very low157 Ų157128.7 Ų128.768%0.68377%0.765SS**  cis-171173.7-10.3-104.3-170.7164.2-71.10107.9
602D38.1Very low38.3Very low129 Ų129132.6 Ų132.669%0.6977%0.768SS**  cis-165.7149.4-7.9-1173.1000111.5
603G38.5Very low38.4Very low77 Ų77132.1 Ų132.179%0.79476%0.761SS**  trans73.5161.7147.800000123.1
604C36.9Very low38.3Very low109 Ų109136.1 Ų136.174%0.73676%0.764SS**  cis-169167.4-23-149.90000114.9
605F35.4Very low37.8Very low174 Ų174136.3 Ų136.376%0.76377%0.768SS**  trans80.6101.4156.4-72.1-65.2000125.7
606N33.4Very low37.5Very low155 Ų155133.7 Ų133.783%0.82977%0.769SS**  46.8144.4121.1-61.14.8000125.5
607G35Very low37.5Very low81 Ų81131 Ų13184%0.83577%0.771SS**  trans174.480.2162.900000117
608T35.5Very low37.5Very low133 Ų133134.3 Ų134.382%0.81678%0.783SS**  trans-77.2151-172.946.20000118
609S37.9Very low37.4Very low117 Ų117131.1 Ų131.182%0.81878%0.779SS**  -177.9155.8119.7-77.80000115.1
610P43.5Very low37Very low134 Ų134135.4 Ų135.487%0.8779%0.79SS**  trans-136.2178.2-168.643.6-26.5000118.2
611G37.4Very low36.7Very low75 Ų75134.1 Ų134.177%0.77378%0.784SS**  trans116.1159.4154.500000117.4
612Q36.1Very low36.7Very low177 Ų177134.1 Ų134.183%0.82779%0.791SS**  cis-167.8175.8-20.4-150-177.86.400110.6
613Q36.2Very low36.6Very low170 Ų170132.6 Ų132.679%0.79479%0.787SS**  trans80.9161.5167.7-52.7178.76.800119.1
614Q34.6Very low36.4Very low175 Ų175136.5 Ų136.582%0.81879%0.789SS**  -169.2174.7-72.8-112-174.4-18.400112.6
615S36.3Very low36.5Very low114 Ų114137.2 Ų137.280%0.79779%0.792SS**  trans81.7161.8164.8790000119.9
616S32.8Very low36.3Very low116 Ų116133.7 Ų133.781%0.81180%0.795SS**  176.8124-77.752.60000114.1
617A37.2Very low36.4Very low86 Ų86132.3 Ų132.371%0.71180%0.797SS**  trans-176.7130.7157.700000107.3
618Q37Very low36.4Very low169 Ų169137.1 Ų137.179%0.7980%0.798SS**  62.7136.368-64.3-173.3-68.400114.7
619M37.3Very low36.3Very low152 Ų152136.7 Ų136.775%0.74980%0.797SS**  cis-165.9146-17.5-112.7-171.1-174.700108.3
620H40.1Very low36.2Very low196 Ų196139.4 Ų139.491%0.90780%0.802SS**  178.1164.1125.4-106.6-83.3000111.7
621D34Very low35.7Very low121 Ų121143.6 Ų143.665%0.64780%0.8SS**  trans-123.5161.2-169.5-170.86.8000110.5
622D38.5Very low35.6Very low156 Ų156146.2 Ų146.283%0.83480%0.803SS**  trans175.479.3148.7-92.8-22.9000113.3
623T34.6Very low35.5Very low98 Ų98147.4 Ų147.460%0.60181%0.806SS**  40.1101.8122.5-54.30000121.6
624L35.2Very low35.2Very low159 Ų159146 Ų14683%0.83281%0.81SS**  51.4169.4123.7-63.2179.3000122.8
625P38.8Very low35.2Very low123 Ų123143.4 Ų143.480%0.79981%0.811SS**  cis-132.8-170.8-28.632.3-10.7000115
626A30.8Very low35Very low100 Ų100143.9 Ų143.983%0.82681%0.814SS**  trans-60.4166.1-17800000119.5
627S36.4Very low35.2Very low126 Ų126144.2 Ų144.288%0.88182%0.816SS**  trans-150.5170.3155.547.90000112
628E33.9Very low35.2Very low183 Ų183144.8 Ų144.886%0.85582%0.821SS**PPolyproline II helixtrans-98.6162.8-153.1-70.2-172.5117.300117.5
629P33.5Very low35.2Very low123 Ų123140.5 Ų140.580%0.79982%0.823SS**PPolyproline II helixtrans-82.4135.4173.433.3-34.9000113.5
630L35.3Very low35Very low175 Ų175142 Ų14292%0.91683%0.828SS**PPolyproline II helixtrans-94.5147.3179.1-75.8170.9000114.2
631R34Very low34.8Very low222 Ų222141.3 Ų141.384%0.83883%0.825SS**PPolyproline II helixtrans-95.5160.2178.3-76.7-174-179.1-165.72.2111.7
632P35.2Very low34.9Very low129 Ų129142.7 Ų142.784%0.83883%0.832SS**PPolyproline II helixtrans-71.4147.9-178.229.9-36.8000112.8
633F34Very low34.8Very low202 Ų202141.9 Ų141.989%0.88683%0.828SS**  trans-108.8128.4168.4-88.7-88.4000111
634T29.4Very low34.7Very low141 Ų141142.4 Ų142.487%0.86584%0.836SS**  trans-93.3129.5159.449.70000108.8
635S35.7Very low34.7Very low121 Ų121138.4 Ų138.485%0.84683%0.832SS**  trans-127.4126.2165.247.30000110
636S31.5Very low34.5Very low124 Ų124137.6 Ų137.687%0.86784%0.836SS**  trans-95134.7174.952.50000110.4
637S37.6Very low34.6Very low122 Ų122137 Ų13785%0.85384%0.84SS**  trans-131.2140.9156.949.20000108.8
638A36.1Very low34.4Very low99 Ų99134.6 Ų134.682%0.81884%0.835SS**  trans-90.1156.4-174.900000112
639G36.8Very low34.4Very low79 Ų79134.8 Ų134.881%0.81484%0.836SS**  trans-152.3115.5164.700000106.8
640E33.9Very low34.4Very low184 Ų184136.7 Ų136.786%0.8683%0.834SS**  trans-94.9178.8-171.9-67.9172.3113.300112.2
641E36.6Very low34.3Very low181 Ų181133.3 Ų133.385%0.84682%0.821SS**  trans105.9106.9165.4-58.1-172.2174.400117.4
642D35.5Very low34.1Very low149 Ų149133.7 Ų133.780%0.79782%0.822SS**  41.9147.3125.4-68.814.8000121.6
643N35.7Very low33.9Very low139 Ų139139.6 Ų139.674%0.74383%0.828SS**  cis-148.3-170.617.6-146-59.1000112.8
644S32.9Very low33.7Very low110 Ų110141 Ų14177%0.76983%0.827SS**  trans-97.9166.1-165.262.70000116.2
645G34.7Very low33.9Very low74 Ų74140.1 Ų140.176%0.76383%0.827SS**  trans137.2105172.900000112.1
646A34.2Very low33.7Very low107 Ų107141.1 Ų141.188%0.88483%0.828SS**  cis94.3113.831.100000114.2
647G33.3Very low33.8Very low88 Ų88139.6 Ų139.691%0.90782%0.822SS**  trans83.1151.1-179.300000114.6
648G33.3Very low33.6Very low74 Ų74139.4 Ų139.476%0.76382%0.816SS**  cis-173.6146.8-6.500000113.1
649E33.9Very low33.2Very low188 Ų188142.5 Ų142.588%0.87982%0.817SS**  trans29137.1151.9-71.2179.8134.400125.4
650E31.9Very low33.3Very low162 Ų162143.5 Ų143.576%0.75781%0.81SS**  trans80.8131.9132.5-74.6-111.698.700124.9
651T33.5Very low33.1Very low104 Ų104141.2 Ų141.264%0.63880%0.803SS**  trans75.6108.7144.656.70000124.5
652R30.3Very low32.8Very low230 Ų230140.1 Ų140.187%0.86880%0.803SS**  30.3126.3121.7-67.4173.4160.5-176-4.5119.5
653R31.7Very low32.4Very low253 Ų253140.1 Ų140.196%0.95580%0.802SS**  -172.1173.1106.1-101.9165.2-166.4-146.73.3113.9
654R30.2Very low32.4Very low232 Ų232139.8 Ų139.888%0.87581%0.807SS**  trans-106.7152.2174.9-60.8169171.6161.7-5.7110.3
655S32.9Very low32.2Very low123 Ų123143.6 Ų143.686%0.8681%0.81SS**  trans-161.1170152.651.70000111.7
656V31.7Very low32.1Very low142 Ų142147.1 Ų147.186%0.86182%0.817SS**  trans-141.9126.8-173.4175.10000110.8
657A33.7Very low31.8Very low91 Ų91151.9 Ų151.975%0.75282%0.817SS**  trans-161.9144.2159.900000107
658V33.9Very low31.8Very low119 Ų119152.6 Ų152.672%0.72182%0.815SS**  cis89.488.328.5-176.80000114.1
659L27.6Very low31.9Very low163 Ų163155 Ų15585%0.85382%0.82SS**  trans58.3168.1144.6-75.2168.8000119.5
660P37Very low31.7Very low100 Ų100150.6 Ų150.665%0.64981%0.81SS**  cis-129.7-174.6-13.929.4-7.1000114.7
661D29.7Very low31.5Very low137 Ų137149.4 Ų149.473%0.73382%0.818SS**  98.9146.8128.7-109.3-34.9000125.6
662L31.5Very low31.2Very low158 Ų158151.1 Ų151.183%0.82782%0.819SS**  trans73.1146.6157.5-64169.4000123.2
663L27.3Very low31.3Very low149 Ų149147.7 Ų147.778%0.7882%0.818SS**  trans-97.5168.1-171.5-63.5157000111.9
664P35.1Very low31.3Very low131 Ų131143.5 Ų143.585%0.85181%0.809SS**  -142.1-176.9102.537.3-22.9000115.3
665K28.2Very low31.3Very low191 Ų191138.2 Ų138.283%0.8381%0.806SS**  trans-109.9147.5-176-54.4165.7-176.9167.70111.9
666T34.1Very low31Very low148 Ų148137.6 Ų137.691%0.90880%0.801SS**  trans-137.9172.8156.844.90000110.9
667K27.5Very low31.1Very low206 Ų206138.7 Ų138.790%0.89680%0.801SS**  trans-138.8170.1-166.9-78.4-175.4174.4-177.30112.3
668A34Very low30.9Very low103 Ų103140.4 Ų140.485%0.85180%0.797SS**  trans76155.9166.800000115
669S34Very low30.8Very low124 Ų124140.6 Ų140.687%0.86779%0.79SS**  cis-124.5-165.910.661.20000114.1
670S29.4Very low31Very low97 Ų97139.7 Ų139.768%0.67878%0.78SS**  trans-120.8154.8-159.153.50000114.4
671C28.1Very low30.8Very low137 Ų137143.2 Ų143.293%0.92679%0.787SS**  trans-143.1148133-96.10000108.8
672Q27.7Very low30.7Very low140 Ų140145.3 Ų145.365%0.65479%0.793SS**  trans-114.3157.6-179.8-66.9171.3-107.500109.7H674Q672-H674 PolarHBondContact NE2-NE2 3.32Å
673D31.3Very low30.9Very low158 Ų158143 Ų14385%0.84579%0.787SS**  -149.5164.1122.4-131.1-33.6000112.5
674H33Very low31Very low165 Ų165143.5 Ų143.576%0.76479%0.789SS**  trans-88.2163.6-167.7-72.4-99000112.2Q672Q672-H674 PolarHBondContact NE2-NE2 3.32Å
675C29.6Very low30.9Very low121 Ų121141.8 Ų141.882%0.81879%0.785SS**  cis-142.1167.937.5-75.20000114.6
676S27.5Very low30.8Very low109 Ų109141.3 Ų141.376%0.76279%0.786SS**  trans-149.9131.9176.1-68.80000112.4
677I32.9Very low30.8Very low165 Ų165139.2 Ų139.285%0.84678%0.775SS**  trans-144.2108.3157.6-42.9179.1000104.5
678N30.6Very low30.8Very low127 Ų127135.1 Ų135.168%0.67977%0.773SS**  61.9140.471.4-74.96.7000113.1
679E30.7Very low30.7Very low124 Ų124134.5 Ų134.558%0.57977%0.767SS**  cis-164.9163.1-0.9-126.9-176.815000111.3
680K31.4Very low30.3Very low144 Ų144135.5 Ų135.563%0.62676%0.762SS**  trans63.4155.2153.4-68.2158.3-178147.80116.9
681Q32.5Very low30.2Very low173 Ų173137.5 Ų137.581%0.80876%0.761SS**  cis-149.6175.7-5.7-122.3150.7-19.700110.3
682Q28.5Very low30.1Very low182 Ų182141.5 Ų141.585%0.8576%0.756SS**  trans-107.2-167.5-178.9-59.2-179.9-7.100111.3
683P35Very low30.1Very low108 Ų108145 Ų14570%0.70177%0.769SS**  -124.9-167.9-74.437.6-20.8000111.9
684I29.4Very low29.9Very low161 Ų161145.8 Ų145.883%0.82677%0.768SS**  trans146.4155.6146.4-76.9159.3000112.9
685A33.4Very low29.6Very low94 Ų94147.4 Ų147.478%0.77777%0.773SS**  trans83.6140.6168.200000120.7
686Q27.1Very low29.5Very low182 Ų182146 Ų14685%0.8577%0.765SS**  trans-125.5-175.1164-45.6179.5-8.600106.8
687P34Very low29.4Very low104 Ų104150 Ų15068%0.67577%0.769SS**  cis-135.1-175.4-9.635.6-15.4000115.4
688S26.5Very low29.2Very low120 Ų120149.1 Ų149.184%0.83976%0.764SS**  trans89.2166.6147.984.90000121.6
689A31Very low29.1Very low89 Ų89150.2 Ų150.274%0.73677%0.768SS**  trans727516800000121.8
690L25.9Very low28.9Very low145 Ų145153.4 Ų153.476%0.75978%0.781SS**  trans17110.8130.1-88.5107.2000120.8
691Q27.8Very low28.8Very low139 Ų139149.7 Ų149.765%0.6578%0.783SS**  176.8146.997.2-100.1177.398.400116.3
692R25.2Very low28.6Very low221 Ų221151.1 Ų151.183%0.83479%0.787SS**  trans2.3127.6161.9-69.9174.5166.7157.2-7.1120.1
693K29.2Very low28.6Very low213 Ų213146.6 Ų146.693%0.92678%0.781SS**  trans-146.4153.4132.7-111.8166.8-174.7172.40110.7
694E25.9Very low28.3Very low176 Ų176150.8 Ų150.882%0.82279%0.791SS**  trans-98.5-163.1-174.7-57.116211200111.4
695K27.2Very low28.4Very low198 Ų198146.7 Ų146.786%0.86179%0.789SS**  trans81.8144.7171.2-53.3-179.9-177.3-173.30114.4
696S27.4Very low28.3Very low93 Ų93147.6 Ų147.665%0.6580%0.796SS**  cis-167.4160.3-12.140.10000110
697F26.7Very low28.5Very low193 Ų193142.7 Ų142.785%0.84679%0.794SS**  trans-147120.4146.9-102.1-78.7000109.2
698I27Very low28.3Very low145 Ų145144 Ų14474%0.74481%0.806SS**  trans-131.5169.5171-66172.4000104.8
699I29.3Very low28.5Very low150 Ų150140.9 Ų140.977%0.76979%0.793SS**  trans117.8127.5167.9-64.1157.7000111.8
700F27.3Very low28.5Very low192 Ų192142.1 Ų142.184%0.84280%0.796SS**  cis-160.9159.2-5-133.4-121.2000111.3
701G27.6Very low28.8Very low66 Ų66140.9 Ų140.968%0.6880%0.795SS**  trans75.3152.1160.100000118.1
702F29.6Very low28.9Very low202 Ų202140.2 Ų140.289%0.88680%0.8SS**  cis-161.4138.1-6-129.8-79.6000110
703A28.5Very low29.2Very low87 Ų87138.3 Ų138.372%0.71980%0.801SS**  trans57.7156.3168.200000118.4
704E28.5Very low29.1Very low196 Ų196139.1 Ų139.192%0.91680%0.798SS**  cis-158.5171-19.6-115.8-178.2168.900108.7
705G31.3Very low29.6Very low76 Ų76136.8 Ų136.878%0.78480%0.798SS**  trans115.577160.200000119.7
706A31.1Very low29.8Very low112 Ų112132.6 Ų132.693%0.92679%0.793SS**  trans14.8138152.200000123.2
707G31.5Very low29.9Very low79 Ų79140 Ų14081%0.81481%0.807SS**  trans167.870.9164.100000117.9
708S30.8Very low30.2Very low131 Ų131134.7 Ų134.792%0.91680%0.798SS**  trans-50.8150.6173.9-172.30000115.2
709G30.8Very low30.5Very low55 Ų55137.2 Ų137.257%0.56781%0.807SS**  cis155.4174.6-2.900000113.7
710S29.8Very low30.3Very low115 Ų115138 Ų13880%0.80480%0.8SS**  trans64.6147.2168.969.10000118.7
711T31.7Very low30.3Very low119 Ų119138.1 Ų138.173%0.7380%0.803SS**  cis-159.5138.8-12.915.10000107.3
712V30.2Very low30.2Very low125 Ų125141.1 Ų141.176%0.75881%0.808SS**  59.5120.484.1-179.20000111
713E31.5Very low30.1Very low182 Ų182137.2 Ų137.285%0.8580%0.801SS**  cis-145.5-159.443-66.8-168.5128.600114.2
714R27.7Very low29.9Very low230 Ų230142.4 Ų142.487%0.86881%0.81SS**  -165.1153.9-78-155.5173.5-167.9-155.15.2108.9
715P36.1Very low29.8Very low126 Ų126139 Ų13982%0.81880%0.803SS**  trans-118.4173-163.241.9-33.4000117.8
716S31.8Very low29.7Very low110 Ų110142.5 Ų142.577%0.76980%0.803SS**  trans-132.7128.3170.4460000110.8
717R30.3Very low29.6Very low250 Ų250141.1 Ų141.194%0.94378%0.783SS**  51.3134.898.6-79.9-178164.7171.9-5.4115.1
718A31.2Very low29.6Very low80 Ų80143.9 Ų143.966%0.66178%0.779SS**  cis-162.6160.2-9.300000107.4
719H33.3Very low29.6Very low198 Ų198141.6 Ų141.692%0.91776%0.759SS**  -160.7-167.173.7-116.7-102.5000112.2
720R26.2Very low29.7Very low168 Ų168145.2 Ų145.263%0.63477%0.766SS**  trans-142.7121.5-157.4174-171.9-178178.2-0.3112.8
721E27.6Very low29.9Very low194 Ų194145.7 Ų145.791%0.90777%0.766SS**  trans-139.8163.6164.1-165.5151.9-133.600110.7
722V25.1Very low29.8Very low129 Ų129146.1 Ų146.178%0.78277%0.768SS**  trans-105.7123-160.9-179.90000111.9
723T27.3Very low29.7Very low120 Ų120145.4 Ų145.474%0.73677%0.768SS**  trans-136146168.543.50000111.6V725T723-V725 PolarHBondContact O-N 2.82Å
724E24.9Very low29.6Very low196 Ų196142.5 Ų142.592%0.91676%0.763SS**  trans-82.5104.2177.4-61.3-174.311600110.3
725V26.8Very low29.7Very low125 Ų125140 Ų14076%0.75876%0.761SS**  trans-93120-173.1-176.30000112.4T723T723-V725 PolarHBondContact O-N 2.82Å
726N28.1Very low29.6Very low148 Ų148142.2 Ų142.279%0.79177%0.765SS**  trans-60.2157175.2-81.3-56.1000113.3N728N726-N728 PolarHBondContact O-N 3.46Å
727V29.3Very low29.9Very low84 Ų84145.1 Ų145.151%0.50977%0.766SS.*  trans-75.789.7171.2-176.50000108.8V729 K747V727-V729 HydrophobicContact CG1-CG2 4.48Å; V727-K747 HydrophobicContact CG2-CD 4.18Å
728N30.4Very low30.3Very low136 Ų136140.2 Ų140.273%0.72776%0.759SS**  trans-68.1138.5170.6-170.518.2000110.1N726N726-N728 PolarHBondContact O-N 3.46Å
729V32.3Very low31.1Very low83 Ų83139.9 Ų139.950%0.50375%0.751SS.*  trans-117.776.9-177.7-174.40000109V727V727-V729 HydrophobicContact CG1-CG2 4.48Å
730N31.7Very low32Very low131 Ų131135.5 Ų135.570%0.70174%0.738SS**  trans-155.7114.4170.9-102.3-19.5000109.6
731P34.8Very low33.5Very low126 Ų126128.7 Ų128.782%0.81872%0.716SS**  trans-88.5114.6169.432.8-28.3000110.4
732V29.6Very low35.3Very low127 Ų127124.1 Ų124.177%0.7770%0.695SS**  trans-133.7143.4165.9-176.60000106.7
733C28.2Very low37.8Very low110 Ų110121 Ų12174%0.74367%0.673SS**  trans67.9146.5-160.9-61.50000113.8
734T28.4Very low40.4Very low121 Ų121121.3 Ų121.374%0.74266%0.661SS**  cis-176.4165.9-37.427.10000106.6
735Q30.5Very low43.1Very low179 Ų179117 Ų11784%0.83664%0.639SS**  trans74.8165.1172.8-59.1174.8-19.500116
736L33.3Very low45.7Very low171 Ų171112.7 Ų112.790%0.89561%0.609SS**SBendtrans-109.294.5-158.5-73.968.3000112.1
737E38.4Very low48Very low171 Ų171114 Ų11480%0.79961%0.608SS**  trans-138-1.5173.3-67-167.6146.700115.2S739E737-S739 VanDerWaalsContact C-N 3.3Å; E737-S739 PolarHBondContact O-N 3.09Å
738N38.2Very low50.4Low147 Ų147115 Ų11579%0.78661%0.605SS**  trans-85.346.4-167.6-65.4-30.6000115.3
739S48.4Very low52.8Low73 Ų73114.6 Ų114.651%0.5160%0.597SS.*  trans-9933177.5690000113.6E737E737-S739 VanDerWaalsContact C-N 3.3Å; E737-S739 PolarHBondContact O-N 3.09Å
740V53.2Low55.2Low106 Ų106111.4 Ų111.464%0.64258%0.577SS**SBendtrans-139.7143.6-173.3178.70000108.6E742V740-E742 PolarHBondContact O-N 2.83Å
741P56.4Low57.5Low26 Ų26111 Ų11117%0.16958%0.584CS.*  trans-90.5109.4-163.531.9-28.2000111.2I743 F1019 W1063P741-I743 PolarHBondContact O-N 2.72Å; P741-F1019 HydrophobicContact CB-CE1 3.97Å; P741-F1019 HydrophobicContact CB-CZ 3.69Å; P741-F1019 HydrophobicContact CG-CE1 3.59Å; P741-F1019 HydrophobicContact CG-CZ 3.54Å; P741-W1063 VanDerWaalsContact CB-OXT 3.23Å; P741-W1063 WeakPolarHBondContact CB-OXT 3.16Å; P741-W1063 VanDerWaalsContact CD-C 3.44Å; P741-W1063 VanDerWaalsContact CD-O 3.22Å; P741-W1063 WeakPolarHBondContact CD-O 3.31Å; P741-W1063 WeakPolarHBondContact CD-OXT 3.24Å; P741-W1063 HydrophobicContact CG-CB 4.42Å; P741-W1063 WeakPolarHBondContact CG-O 3.12Å; P741-W1063 WeakPolarHBondContact CG-OXT 3.3Å
742E66.8Low59.9Low97 Ų97105.9 Ų105.945%0.45355%0.551SS.*  trans-86.3109.8-170.4-152.6-166.3148.200113.3V740 R744V740-E742 PolarHBondContact O-N 2.83Å; E742-R744 HydrophobicContact CG-CG 4.1Å; E742-R744 PolarHBondContact O-N 2.9Å; E742-R744 WeakPolarHBondContact OE1-CG 3.05Å; E742-R744 IonicContact OE1-CZ 2.77Å; E742-R744 IonicContact OE1-NE 2.6Å; E742-R744 PolarHBondContact OE1-NE 3.31Å; E742-R744 IonicContact OE1-NH2 2.66Å; E742-R744 IonicContact OE2-CZ 3.12Å; E742-R744 IonicContact OE2-NE 2.72Å; E742-R744 PolarHBondContact OE2-NE 3.32Å; E742-R744 IonicContact OE2-NH2 3.32Å; E742-R744 PolarHBondContact OE2-NH2 3.08Å
743I77.2Confident62.6Low64 Ų64104.3 Ų104.333%0.32854%0.535SS..EExtended strand (participates in β ladder)trans-81.6107.5163.4-60177.9000109.3P741 F1019 F1039 Y1051 F1052 M1053P741-I743 PolarHBondContact O-N 2.72Å; I743-F1019 HydrophobicContact CD1-CB 4.33Å; I743-F1019 HydrophobicContact CD1-CD1 3.5Å; I743-F1019 HydrophobicContact CD1-CE1 4.06Å; I743-F1019 HydrophobicContact CD1-CG 4.12Å; I743-F1019 HydrophobicContact CG1-CD1 4.17Å; I743-F1019 HydrophobicContact CG1-CE1 4.22Å; I743-F1039 HydrophobicContact CD1-CZ 4.35Å; I743-F1039 HydrophobicContact CG2-CE1 4.39Å; I743-F1039 HydrophobicContact CG2-CZ 3.79Å; I743-Y1051 HydrophobicContact CG2-CD1 4Å; I743-F1052 WeakPolarHBondContact CA-O 3.22Å; I743-M1053 HydrophobicContact CD1-CE 3.64Å; I743-M1053 HydrophobicContact CG1-CB 4.36Å; I743-M1053 HydrophobicContact CG1-CE 3.74Å; I743-M1053 HydrophobicContact CG1-CG 4.33Å
744R81Confident65.6Low127 Ų12799.2 Ų99.248%0.47950%0.501SS..EExtended strand (participates in β ladder)trans-96.6139.4174.8-73.3-179.4176.3178.211.3111.2E742 Y1051 F1052E742-R744 HydrophobicContact CG-CG 4.1Å; E742-R744 PolarHBondContact O-N 2.9Å; E742-R744 WeakPolarHBondContact OE1-CG 3.05Å; E742-R744 IonicContact OE1-CZ 2.77Å; E742-R744 IonicContact OE1-NE 2.6Å; E742-R744 PolarHBondContact OE1-NE 3.31Å; E742-R744 IonicContact OE1-NH2 2.66Å; E742-R744 IonicContact OE2-CZ 3.12Å; E742-R744 IonicContact OE2-NE 2.72Å; E742-R744 PolarHBondContact OE2-NE 3.32Å; E742-R744 IonicContact OE2-NH2 3.32Å; E742-R744 PolarHBondContact OE2-NH2 3.08Å; R744-Y1051 CarbonylContact O-C 3.56Å; R744-Y1051 WeakPolarHBondContact O-CA 3.23Å; R744-F1052 HydrophobicContact CB-CD1 3.84Å; R744-F1052 HydrophobicContact CB-CE1 3.42Å; R744-F1052 VanDerWaalsContact CB-CE1 3.42Å; R744-F1052 HydrophobicContact CB-CE2 4.16Å; R744-F1052 HydrophobicContact CB-CG 4.41Å; R744-F1052 HydrophobicContact CB-CZ 3.61Å; R744-F1052 VanDerWaalsContact CD-CZ 3.45Å; R744-F1052 HydrophobicContact CG-CE1 4.36Å; R744-F1052 HydrophobicContact CG-CZ 4.09Å; R744-F1052 PolarHBondContact N-O 2.98Å; R744-F1052 PolarHBondContact O-N 2.89Å
745K82.6Confident68.7Low104 Ų10493.9 Ų93.945%0.45247%0.468SS..EExtended strand (participates in β ladder)trans-112.5133.2178.3-168.8179.770.5176.80111.7Q1049 Y1051K745-Q1049 HydrophobicContact CD-CB 4.19Å; K745-Q1049 HydrophobicContact CG-CB 4.48Å; K745-Y1051 HydrophobicContact CB-CD1 3.9Å; K745-Y1051 HydrophobicContact CB-CE1 4.1Å; K745-Y1051 HydrophobicContact CD-CD1 4.12Å; K745-Y1051 HydrophobicContact CD-CE1 3.5Å; K745-Y1051 HydrophobicContact CD-CE2 4.21Å; K745-Y1051 HydrophobicContact CG-CD1 3.83Å; K745-Y1051 HydrophobicContact CG-CD2 4.47Å; K745-Y1051 HydrophobicContact CG-CE1 3.77Å; K745-Y1051 HydrophobicContact CG-CE2 4.36Å; K745-Y1051 HydrophobicContact CG-CG 4.2Å
746Y81.3Confident71.7Confident35 Ų3586 Ų8614%0.13743%0.432CS..EExtended strand (participates in β ladder)trans-68.9134.1172.8-69.3-82.8000110.7K748 L775 R777 F1038 I1050 F1052Y746-K748 PolarHBondContact O-N 2.84Å; Y746-L775 HydrophobicContact CD1-CD2 3.78Å; Y746-L775 HydrophobicContact CD2-CD2 4.36Å; Y746-L775 HydrophobicContact CE1-CD2 4.01Å; Y746-L775 HydrophobicContact CG-CD2 3.99Å; Y746-R777 HydrophobicContact CE1-CG 4.49Å; Y746-R777 WeakPolarHBondContact OH-CD 3.42Å; Y746-R777 PolarHBondContact OH-NE 2.89Å; Y746-F1038 HydrophobicContact CE2-CD1 4.47Å; Y746-F1038 HydrophobicContact CE2-CE1 4.32Å; Y746-I1050 HydrophobicContact CD2-CB 4.03Å; Y746-I1050 HydrophobicContact CD2-CG2 3.81Å; Y746-I1050 WeakPolarHBondContact CD2-O 3.36Å; Y746-I1050 HydrophobicContact CE2-CG2 4.15Å; Y746-I1050 PolarHBondContact N-O 3.13Å; Y746-F1052 HydrophobicContact CD2-CD1 4.4Å; Y746-F1052 AromaticContact CE2-CD1 3.51Å; Y746-F1052 HydrophobicContact CE2-CD1 3.51Å; Y746-F1052 HydrophobicContact CE2-CE1 4.14Å; Y746-F1052 HydrophobicContact CE2-CG 4.44Å; Y746-F1052 AromaticContact CZ-CD1 3.65Å; Y746-F1052 AromaticContact CZ-CE1 3.85Å; Y746-F1052 WeakPolarHBondContact OH-CD1 3.41Å
747K76Confident74.7Confident176 Ų17678 Ų7877%0.76539%0.391SS*.EExtended strand (participates in β ladder)trans-61.8-29.6178.8-69.4-174.9178.8-179.90112.5V727 K749V727-K747 HydrophobicContact CG2-CD 4.18Å; K747-K749 PolarHBondContact O-N 2.91Å
748K79.5Confident77.4Confident104 Ų10470.3 Ų70.345%0.45236%0.357SS..EExtended strand (participates in β ladder)trans-67129.6180-170.873.1-179.6-173.60111Y746 F750 V783Y746-K748 PolarHBondContact O-N 2.84Å; K748-F750 HydrophobicContact CB-CE2 4.41Å; K748-F750 HydrophobicContact CG-CE1 4.45Å; K748-F750 HydrophobicContact CG-CE2 4.17Å; K748-F750 HydrophobicContact CG-CZ 4.04Å; K748-V783 HydrophobicContact CD-CG2 4.02Å; K748-V783 HydrophobicContact CG-CG2 4.06Å
749K81.1Confident80Confident129 Ų12964.2 Ų64.256%0.56132%0.324SS*.EExtended strand (participates in β ladder)trans-93.4143163.4-71.8175.2173.7-177.10109.5K747 Q1049K747-K749 PolarHBondContact O-N 2.91Å; K749-Q1049 HydrophobicContact CG-CG 4.34Å
750F82.8Confident82Confident15 Ų1562 Ų627%0.06630%0.304CS..EExtended strand (participates in β ladder)trans-106131.2170.6-62.1-91.5000108.3K748 S752 V754 I766 V773 V783 S1047 C1048 I1050K748-F750 HydrophobicContact CB-CE2 4.41Å; K748-F750 HydrophobicContact CG-CE1 4.45Å; K748-F750 HydrophobicContact CG-CE2 4.17Å; K748-F750 HydrophobicContact CG-CZ 4.04Å; F750-S752 VanDerWaalsContact C-N 3.34Å; F750-V754 HydrophobicContact CB-CG2 4.36Å; F750-V754 HydrophobicContact CG-CG2 4.41Å; F750-I766 HydrophobicContact CE1-CD1 3.94Å; F750-I766 HydrophobicContact CE2-CD1 4.29Å; F750-I766 HydrophobicContact CZ-CD1 3.54Å; F750-V773 HydrophobicContact CE1-CG1 4.46Å; F750-V783 HydrophobicContact CE1-CG1 4.45Å; F750-S1047 CarbonylContact O-C 3.5Å; F750-S1047 WeakPolarHBondContact O-CA 3.09Å; F750-S1047 WeakPolarHBondContact O-CB 3.2Å; F750-C1048 HydrophobicContact CB-CB 4.47Å; F750-C1048 PolarHBondContact N-O 3.38Å; F750-C1048 PolarHBondContact O-N 3.18Å; F750-I1050 HydrophobicContact CD2-CD1 4.21Å; F750-I1050 HydrophobicContact CD2-CG1 4.27Å; F750-I1050 HydrophobicContact CE2-CD1 3.65Å; F750-I1050 HydrophobicContact CE2-CG1 3.98Å; F750-I1050 HydrophobicContact CZ-CD1 4.15Å
751S80.7Confident83.5Confident122 Ų12258.9 Ų58.985%0.85329%0.293SS*.SBendtrans-77.5-24176.947.20000112.8
752S84.3Confident84.7Confident19 Ų1961.8 Ų61.813%0.13331%0.311CS..SBendtrans-87.8153.1173.9-93.80000112.2F750 D769 S770F750-S752 VanDerWaalsContact C-N 3.34Å; S752-D769 WeakPolarHBondContact CB-OD1 3.38Å; S752-D769 PolarHBondContact OG-OD1 2.83Å; S752-S770 WeakPolarHBondContact OG-CB 3.46Å; S752-S770 PolarHBondContact OG-OG 3.3Å
753E87.6Confident85.8Confident94 Ų9457.5 Ų57.544%0.43929%0.291SS..PPolyproline II helixtrans-62.6131.6168.9-175.1179.7-145.100110.5L755 T768 D769 R791E753-L755 HydrophobicContact CG-CD2 3.92Å; E753-L755 VanDerWaalsContact OE2-CD2 3.27Å; E753-L755 WeakPolarHBondContact OE2-CD2 3.24Å; E753-T768 WeakPolarHBondContact O-CA 3.43Å; E753-T768 WeakPolarHBondContact O-CB 3.22Å; E753-T768 WeakPolarHBondContact O-CG2 3.36Å; E753-D769 PolarHBondContact O-N 3.34Å; E753-R791 IonicContact OE2-NH1 2.73Å
754V91.3Very high86.4Confident4 Ų454.5 Ų54.52%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-88.2116.4172.2179.90000109F750 I766 T768 L1030 C1048 I1050F750-V754 HydrophobicContact CB-CG2 4.36Å; F750-V754 HydrophobicContact CG-CG2 4.41Å; V754-I766 HydrophobicContact CG1-CG2 3.79Å; V754-I766 HydrophobicContact CG2-CG2 4.07Å; V754-T768 HydrophobicContact CG2-CG2 4.5Å; V754-L1030 HydrophobicContact CG1-CD1 3.96Å; V754-L1030 HydrophobicContact CG1-CD2 3.71Å; V754-C1048 HydrophobicContact CB-CB 4.5Å; V754-C1048 HydrophobicContact CG2-CB 3.89Å; V754-I1050 HydrophobicContact CG2-CD1 4.48Å
755L92.1Very high87.1Confident9 Ų948.4 Ų48.45%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-97-44.7-172.7-64176.8000112.2E753 G767 T768 D769 R791 F792 K1028E753-L755 HydrophobicContact CG-CD2 3.92Å; E753-L755 VanDerWaalsContact OE2-CD2 3.27Å; E753-L755 WeakPolarHBondContact OE2-CD2 3.24Å; L755-G767 PolarHBondContact N-O 3.47Å; L755-T768 VanDerWaalsContact CD1-C 3.5Å; L755-D769 HydrophobicContact CD1-CB 4.49Å; L755-R791 HydrophobicContact CD1-CG 3.6Å; L755-F792 VanDerWaalsContact CB-O 3.26Å; L755-F792 WeakPolarHBondContact CB-O 3.45Å; L755-F792 WeakPolarHBondContact CD1-O 3.49Å; L755-K1028 PolarHBondContact O-NZ 2.96Å
756C94.6Very high87.7Confident12 Ų1243.5 Ų43.58%0.08123%0.231CC..EExtended strand (participates in β ladder)trans-151.1163.1179.659.20000110.5G767 F792 M795C756-G767 PolarHBondContact N-O 2.74Å; C756-G767 PolarHBondContact O-N 2.79Å; C756-F792 PolarHBondContact SG-O 3.25Å; C756-M795 VanDerWaalsContact SG-CE 3.54Å
757A95.3Very high88.3Confident5 Ų541.8 Ų41.84%0.04122%0.224CC..EExtended strand (participates in β ladder)trans-143.9166.4169.400000110.8L764 L765 L1030A757-L764 HydrophobicContact CB-CD1 3.89Å; A757-L764 HydrophobicContact CB-CG 4.24Å; A757-L765 CarbonylContact C-O 3.43Å; A757-L765 WeakPolarHBondContact CA-O 3.33Å; A757-L765 WeakPolarHBondContact CB-O 3.43Å; A757-L1030 HydrophobicContact CB-CB 3.82Å; A757-L1030 HydrophobicContact CB-CD1 4.19Å; A757-L1030 HydrophobicContact CB-CG 4.46Å
758A95.2Very high89.2Confident8 Ų833.6 Ų33.67%0.06619%0.189CC..EExtended strand (participates in β ladder)trans-152.4150.5167.200000110.2L765 M795 V797A758-L765 PolarHBondContact N-O 3Å; A758-L765 WeakPolarHBondContact O-CB 3.24Å; A758-L765 PolarHBondContact O-N 2.91Å; A758-M795 HydrophobicContact CB-CG 3.84Å; A758-M795 HydrophobicContact CB-SD 3.95Å; A758-V797 HydrophobicContact CB-CB 4.47Å; A758-V797 HydrophobicContact CB-CG2 3.69Å
759L92.1Very high89.7Confident19 Ų1931.9 Ų31.910%0.09919%0.185CC..EExtended strand (participates in β ladder)trans-82.8137.7174.2-72.7162.9000111N763 L764 V797 R1033 F1038L759-N763 WeakPolarHBondContact CA-O 3.34Å; L759-N763 WeakPolarHBondContact CD2-O 3.45Å; L759-L764 HydrophobicContact CD2-CB 4.4Å; L759-L764 HydrophobicContact CD2-CD1 3.91Å; L759-L764 HydrophobicContact CG-CD1 4.16Å; L759-V797 WeakPolarHBondContact O-CB 3.43Å; L759-R1033 HydrophobicContact CD1-CB 3.43Å; L759-R1033 VanDerWaalsContact CD1-CB 3.43Å; L759-R1033 HydrophobicContact CD1-CG 4.35Å; L759-F1038 HydrophobicContact CD1-CD2 4.33Å; L759-F1038 HydrophobicContact CD1-CE2 3.78Å; L759-F1038 HydrophobicContact CD1-CZ 4.34Å; L759-F1038 HydrophobicContact CD2-CE2 4.26Å; L759-F1038 HydrophobicContact CD2-CZ 4.03Å; L759-F1038 HydrophobicContact CG-CE2 4.42Å
760W91.1Very high90.2Very high27 Ų2728.3 Ų28.310%0.10218%0.176CC..EExtended strand (participates in β ladder)trans-129.4104.7172.2175.726.8000108.6F381 V762 N763 L765 L774 V797 L819 L822 K823 I826F381-W760 HydrophobicContact CZ-CH2 4.47Å; W760-V762 PolarHBondContact O-N 2.85Å; W760-N763 PolarHBondContact N-O 2.81Å; W760-N763 PolarHBondContact O-N 2.85Å; W760-L765 HydrophobicContact CB-CD1 3.9Å; W760-L765 HydrophobicContact CB-CG 4.28Å; W760-L765 HydrophobicContact CD2-CD1 4.45Å; W760-L765 HydrophobicContact CE3-CD1 4Å; W760-L765 HydrophobicContact CE3-CD2 4.2Å; W760-L765 HydrophobicContact CE3-CG 4.22Å; W760-L765 HydrophobicContact CG-CD1 4.45Å; W760-L774 HydrophobicContact CE3-CD1 3.62Å; W760-L774 HydrophobicContact CZ3-CD1 3.88Å; W760-V797 HydrophobicContact CB-CG1 4.36Å; W760-V797 HydrophobicContact CB-CG2 4.37Å; W760-L819 HydrophobicContact CD2-CD2 3.96Å; W760-L819 HydrophobicContact CE3-CD2 4.31Å; W760-L819 HydrophobicContact CG-CD2 4.29Å; W760-L819 HydrophobicContact CH2-CB 4.46Å; W760-L819 WeakPolarHBondContact CH2-O 3.32Å; W760-L819 HydrophobicContact CZ2-CB 3.78Å; W760-L819 HydrophobicContact CZ2-CD2 4.37Å; W760-L819 WeakPolarHBondContact CZ2-O 3.14Å; W760-L822 HydrophobicContact CH2-CB 4.02Å; W760-L822 HydrophobicContact CZ3-CB 4Å; W760-K823 HydrophobicContact CH2-CB 4.05Å; W760-K823 HydrophobicContact CZ2-CB 4.32Å; W760-I826 HydrophobicContact CH2-CD1 4.31Å; W760-I826 HydrophobicContact CZ3-CD1 3.93Å
761G85.9Confident90.7Very high40 Ų4027.7 Ų27.741%0.41217%0.174SC..THydrogen-bonded Turntrans56.6-124.5-159.800000110.1E799 R1033G761-E799 WeakPolarHBondContact CA-OE1 3.43Å; G761-E799 PolarHBondContact N-OE1 2.86Å; G761-R1033 PolarHBondContact O-NH1 3.27Å
762V81.6Confident91.4Very high88 Ų8821.9 Ų21.953%0.53313%0.133SC..THydrogen-bonded Turntrans-83.8-15.2173.8-620000113.8W760 R777W760-V762 PolarHBondContact O-N 2.85Å; V762-R777 WeakPolarHBondContact O-CB 3.44Å; V762-R777 VanDerWaalsContact O-CD 3.26Å; V762-R777 WeakPolarHBondContact O-CD 3.13Å; V762-R777 PolarHBondContact O-NH1 3.36Å
763N88.2Confident91.8Very high7 Ų721.3 Ų21.34%0.03713%0.129CC..EExtended strand (participates in β ladder)trans-88.9155.5-170.8-61.4-46.3000112.2L377 L759 W760 L774 D776 R777L377-N763 WeakPolarHBondContact CD2-ND2 3.45Å; L759-N763 WeakPolarHBondContact CA-O 3.34Å; L759-N763 WeakPolarHBondContact CD2-O 3.45Å; W760-N763 PolarHBondContact N-O 2.81Å; W760-N763 PolarHBondContact O-N 2.85Å; N763-L774 HydrophobicContact CB-CD1 3.87Å; N763-L774 HydrophobicContact CB-CD2 4.21Å; N763-L774 HydrophobicContact CB-CG 4.08Å; N763-D776 PolarHBondContact OD1-OD1 2.88Å; N763-R777 PolarHBondContact OD1-N 2.75Å
764L91.3Very high92Very high0 Ų016.9 Ų16.90%011%0.108CC..EExtended strand (participates in β ladder)trans-105.2115.2179.4-170.870.1000110.3A757 L759 I766 L775 F1038 I1050A757-L764 HydrophobicContact CB-CD1 3.89Å; A757-L764 HydrophobicContact CB-CG 4.24Å; L759-L764 HydrophobicContact CD2-CB 4.4Å; L759-L764 HydrophobicContact CD2-CD1 3.91Å; L759-L764 HydrophobicContact CG-CD1 4.16Å; L764-I766 HydrophobicContact CD2-CD1 4.28Å; L764-I766 HydrophobicContact CD2-CG1 4.02Å; L764-I766 HydrophobicContact CG-CG1 3.98Å; L764-L775 HydrophobicContact CB-CB 4.38Å; L764-L775 PolarHBondContact N-O 3.14Å; L764-L775 VanDerWaalsContact N-O 3.14Å; L764-L775 PolarHBondContact O-N 3.33Å; L764-F1038 HydrophobicContact CD1-CD1 4.18Å; L764-F1038 HydrophobicContact CD1-CE1 4.49Å; L764-F1038 HydrophobicContact CD1-CG 4.45Å; L764-F1038 HydrophobicContact CD2-CD1 3.98Å; L764-F1038 HydrophobicContact CD2-CE1 4.43Å; L764-I1050 HydrophobicContact CD2-CD1 4.2Å; L764-I1050 HydrophobicContact CD2-CG2 4.08Å
765L95Very high91.9Very high0 Ų016.9 Ų16.90%011%0.108CC..EExtended strand (participates in β ladder)trans-79.6132.4164.6-73.4168.2000108.8A757 A758 W760 L772 V773 L774 L786 M795 V797 L804A757-L765 CarbonylContact C-O 3.43Å; A757-L765 WeakPolarHBondContact CA-O 3.33Å; A757-L765 WeakPolarHBondContact CB-O 3.43Å; A758-L765 PolarHBondContact N-O 3Å; A758-L765 WeakPolarHBondContact O-CB 3.24Å; A758-L765 PolarHBondContact O-N 2.91Å; W760-L765 HydrophobicContact CB-CD1 3.9Å; W760-L765 HydrophobicContact CB-CG 4.28Å; W760-L765 HydrophobicContact CD2-CD1 4.45Å; W760-L765 HydrophobicContact CE3-CD1 4Å; W760-L765 HydrophobicContact CE3-CD2 4.2Å; W760-L765 HydrophobicContact CE3-CG 4.22Å; W760-L765 HydrophobicContact CG-CD1 4.45Å; L765-L772 HydrophobicContact CB-CD1 4.46Å; L765-L772 HydrophobicContact CD2-CD1 4.38Å; L765-L772 HydrophobicContact CD2-CG 4.48Å; L765-V773 CarbonylContact C-O 3.57Å; L765-V773 WeakPolarHBondContact CA-O 3.45Å; L765-L774 HydrophobicContact CD2-CB 4.01Å; L765-L774 HydrophobicContact CD2-CD1 4.03Å; L765-L774 HydrophobicContact CD2-CG 4.5Å; L765-L774 HydrophobicContact CG-CD1 4.45Å; L765-L786 HydrophobicContact CD2-CD1 3.59Å; L765-M795 HydrophobicContact CB-SD 3.98Å; L765-V797 HydrophobicContact CD1-CG2 3.88Å; L765-L804 HydrophobicContact CD1-CD1 4.04Å; L765-L804 HydrophobicContact CD1-CD2 4.22Å
766I94.5Very high91.4Very high0 Ų016.6 Ų16.60%011%0.107CC..EExtended strand (participates in β ladder)trans-126.9118.6-172-57.8163.9000107.6F750 V754 L764 T768 V773 L775 I1050F750-I766 HydrophobicContact CE1-CD1 3.94Å; F750-I766 HydrophobicContact CE2-CD1 4.29Å; F750-I766 HydrophobicContact CZ-CD1 3.54Å; V754-I766 HydrophobicContact CG1-CG2 3.79Å; V754-I766 HydrophobicContact CG2-CG2 4.07Å; L764-I766 HydrophobicContact CD2-CD1 4.28Å; L764-I766 HydrophobicContact CD2-CG1 4.02Å; L764-I766 HydrophobicContact CG-CG1 3.98Å; I766-T768 HydrophobicContact CG2-CG2 4.21Å; I766-V773 PolarHBondContact N-O 3.21Å; I766-V773 PolarHBondContact O-N 3.43Å; I766-L775 HydrophobicContact CD1-CB 3.72Å; I766-L775 HydrophobicContact CD1-CD2 4.29Å; I766-I1050 HydrophobicContact CD1-CD1 3.48Å; I766-I1050 VanDerWaalsContact CD1-CD1 3.48Å; I766-I1050 HydrophobicContact CG1-CD1 3.92Å; I766-I1050 HydrophobicContact CG2-CD1 4.22Å
767G95.2Very high90.4Very high0 Ų019.3 Ų19.30%012%0.115CC..EExtended strand (participates in β ladder)trans-96.8128175.100000110.2L755 C756 M795L755-G767 PolarHBondContact N-O 3.47Å; C756-G767 PolarHBondContact N-O 2.74Å; C756-G767 PolarHBondContact O-N 2.79Å; G767-M795 VanDerWaalsContact CA-CE 3.44Å
768T93.3Very high88.8Confident3 Ų320.4 Ų20.42%0.01812%0.122CC..EExtended strand (participates in β ladder)trans-121.2175.9178.867.40000111.7E753 V754 L755 I766 S770 G771 R791 F792E753-T768 WeakPolarHBondContact O-CA 3.43Å; E753-T768 WeakPolarHBondContact O-CB 3.22Å; E753-T768 WeakPolarHBondContact O-CG2 3.36Å; V754-T768 HydrophobicContact CG2-CG2 4.5Å; L755-T768 VanDerWaalsContact CD1-C 3.5Å; I766-T768 HydrophobicContact CG2-CG2 4.21Å; T768-S770 PolarHBondContact O-N 2.82Å; T768-S770 PolarHBondContact OG1-N 3.01Å; T768-S770 PolarHBondContact OG1-OG 3.33Å; T768-G771 PolarHBondContact N-O 3.06Å; T768-G771 PolarHBondContact OG1-N 2.96Å; T768-G771 PolarHBondContact OG1-O 3.09Å; T768-R791 CarbonylContact O-C 3.52Å; T768-R791 WeakPolarHBondContact O-CA 3.31Å; T768-F792 PolarHBondContact O-N 3.3Å
769D91.4Very high86.9Confident69 Ų6920.9 Ų20.937%0.36913%0.129SC..SBendtrans-56.6-30.4166.568.3-25.4000113.3S752 E753 L755 R791S752-D769 WeakPolarHBondContact CB-OD1 3.38Å; S752-D769 PolarHBondContact OG-OD1 2.83Å; E753-D769 PolarHBondContact O-N 3.34Å; L755-D769 HydrophobicContact CD1-CB 4.49Å; D769-R791 VanDerWaalsContact O-CA 3.24Å; D769-R791 WeakPolarHBondContact O-CA 3.4Å; D769-R791 VanDerWaalsContact O-CB 3.31Å; D769-R791 WeakPolarHBondContact O-CB 3.28Å; D769-R791 PolarHBondContact O-N 2.72Å
770S90.1Very high85.3Confident54 Ų5425 Ų2538%0.37815%0.147SC..SBendtrans-106-21.3-17268.30000115.2S752 T768 N788 R789 R790S752-S770 WeakPolarHBondContact OG-CB 3.46Å; S752-S770 PolarHBondContact OG-OG 3.3Å; T768-S770 PolarHBondContact O-N 2.82Å; T768-S770 PolarHBondContact OG1-N 3.01Å; T768-S770 PolarHBondContact OG1-OG 3.33Å; S770-N788 CarbonylContact O-C 3.57Å; S770-R789 CarbonylContact O-C 3.57Å; S770-R789 VanDerWaalsContact O-CA 3.3Å; S770-R789 WeakPolarHBondContact O-CA 3.44Å; S770-R789 PolarHBondContact O-N 3.31Å; S770-R790 CarbonylContact C-O 3.28Å; S770-R790 PolarHBondContact O-N 3.45Å
771G93.5Very high84.1Confident2 Ų225.6 Ų25.62%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-175.9-174-175.700000117.1T768 I787 R790 F792T768-G771 PolarHBondContact N-O 3.06Å; T768-G771 PolarHBondContact OG1-N 2.96Å; T768-G771 PolarHBondContact OG1-O 3.09Å; G771-I787 CarbonylContact C-O 3.32Å; G771-I787 WeakPolarHBondContact CA-O 3.27Å; G771-R790 WeakPolarHBondContact CA-O 3.24Å; G771-R790 PolarHBondContact N-O 3.49Å; G771-R790 VanDerWaalsContact N-O 3.1Å; G771-F792 WeakPolarHBondContact O-CD2 3.4Å
772L95Very high83.8Confident0 Ų027 Ų270%016%0.157CC..EExtended strand (participates in β ladder)trans-113127.5168.3-179.169.1000108.9L765 L786 I787 F792 M795 L804 L822L765-L772 HydrophobicContact CB-CD1 4.46Å; L765-L772 HydrophobicContact CD2-CD1 4.38Å; L765-L772 HydrophobicContact CD2-CG 4.48Å; L772-L786 HydrophobicContact CD2-CB 4.42Å; L772-L786 HydrophobicContact CD2-CD1 4.25Å; L772-L786 HydrophobicContact CG-CB 4.46Å; L772-L786 HydrophobicContact CG-CD1 4.38Å; L772-L786 PolarHBondContact O-N 3.27Å; L772-I787 HydrophobicContact CB-CB 4.06Å; L772-I787 HydrophobicContact CB-CD1 4.36Å; L772-I787 HydrophobicContact CB-CG1 4.35Å; L772-I787 HydrophobicContact CD2-CD1 3.94Å; L772-I787 HydrophobicContact CD2-CG1 4.44Å; L772-I787 PolarHBondContact N-O 2.92Å; L772-I787 PolarHBondContact O-N 2.8Å; L772-F792 HydrophobicContact CB-CD2 4.02Å; L772-F792 HydrophobicContact CB-CE1 4.37Å; L772-F792 HydrophobicContact CB-CE2 3.61Å; L772-F792 HydrophobicContact CB-CZ 3.81Å; L772-F792 HydrophobicContact CD2-CZ 4.49Å; L772-M795 HydrophobicContact CD1-CE 3.6Å; L772-M795 HydrophobicContact CD1-SD 4.29Å; L772-L804 HydrophobicContact CD2-CD2 3.82Å; L772-L822 HydrophobicContact CD2-CD1 4.21Å; L772-L822 HydrophobicContact CD2-CD2 4.44Å
773V92.8Very high84Confident7 Ų724.5 Ų24.54%0.04214%0.142CC..EExtended strand (participates in β ladder)trans-128.5143-175.8-178.30000109.4F750 L765 I766 V783 Y784F750-V773 HydrophobicContact CE1-CG1 4.46Å; L765-V773 CarbonylContact C-O 3.57Å; L765-V773 WeakPolarHBondContact CA-O 3.45Å; I766-V773 PolarHBondContact N-O 3.21Å; I766-V773 PolarHBondContact O-N 3.43Å; V773-V783 HydrophobicContact CG1-CG1 3.31Å; V773-Y784 CarbonylContact C-O 3.55Å; V773-Y784 WeakPolarHBondContact CA-O 3.47Å
774L92.1Very high84Confident0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-107.1127.4168178.7139.4000110.3L377 W760 N763 L765 V783 Y784 L786 I826L377-L774 HydrophobicContact CD1-CD2 4.37Å; W760-L774 HydrophobicContact CE3-CD1 3.62Å; W760-L774 HydrophobicContact CZ3-CD1 3.88Å; N763-L774 HydrophobicContact CB-CD1 3.87Å; N763-L774 HydrophobicContact CB-CD2 4.21Å; N763-L774 HydrophobicContact CB-CG 4.08Å; L765-L774 HydrophobicContact CD2-CB 4.01Å; L765-L774 HydrophobicContact CD2-CD1 4.03Å; L765-L774 HydrophobicContact CD2-CG 4.5Å; L765-L774 HydrophobicContact CG-CD1 4.45Å; L774-V783 WeakPolarHBondContact O-CA 3.16Å; L774-Y784 HydrophobicContact CD2-CD2 3.97Å; L774-Y784 PolarHBondContact N-O 3.45Å; L774-Y784 PolarHBondContact O-N 3.12Å; L774-L786 HydrophobicContact CB-CD1 4.02Å; L774-L786 HydrophobicContact CB-CG 4.34Å; L774-I826 HydrophobicContact CD1-CD1 3.98Å; L774-I826 HydrophobicContact CD2-CD1 4.39Å
775L89.2Confident83.9Confident4 Ų431.8 Ų31.82%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-95.7113.4169176.864.9000108.9Y746 L764 I766 V783Y746-L775 HydrophobicContact CD1-CD2 3.78Å; Y746-L775 HydrophobicContact CD2-CD2 4.36Å; Y746-L775 HydrophobicContact CE1-CD2 4.01Å; Y746-L775 HydrophobicContact CG-CD2 3.99Å; L764-L775 HydrophobicContact CB-CB 4.38Å; L764-L775 PolarHBondContact N-O 3.14Å; L764-L775 VanDerWaalsContact N-O 3.14Å; L764-L775 PolarHBondContact O-N 3.33Å; I766-L775 HydrophobicContact CD1-CB 3.72Å; I766-L775 HydrophobicContact CD1-CD2 4.29Å; L775-V783 HydrophobicContact CD1-CG2 3.98Å
776D82.8Confident83.7Confident3 Ų332.1 Ų32.12%0.01618%0.176CC..  trans-69.4125.8176.517628.4000111L377 N763 S778 G781 K782 Y784L377-D776 HydrophobicContact CD1-CB 3.76Å; L377-D776 WeakPolarHBondContact CD2-OD1 3.37Å; L377-D776 HydrophobicContact CG-CB 4.36Å; L377-D776 WeakPolarHBondContact CG-OD1 3.43Å; N763-D776 PolarHBondContact OD1-OD1 2.88Å; D776-S778 VanDerWaalsContact OD1-CB 3.23Å; D776-S778 WeakPolarHBondContact OD1-CB 3.33Å; D776-S778 PolarHBondContact OD1-N 2.9Å; D776-S778 PolarHBondContact OD1-OG 2.9Å; D776-S778 PolarHBondContact OD2-OG 2.86Å; D776-G781 WeakPolarHBondContact O-CA 3.43Å; D776-K782 HydrophobicContact CB-CB 4.12Å; D776-K782 VanDerWaalsContact CB-O 3.31Å; D776-K782 WeakPolarHBondContact CB-O 3.41Å; D776-K782 PolarHBondContact N-O 2.57Å; D776-Y784 HydrophobicContact CB-CE2 4.18Å
777R72.9Confident83.6Confident69 Ų6933 Ų3326%0.2618%0.18SC..  trans-1094.9175.7-66.318064.2-127.19.8112.7Y746 V762 N763 G779Y746-R777 HydrophobicContact CE1-CG 4.49Å; Y746-R777 WeakPolarHBondContact OH-CD 3.42Å; Y746-R777 PolarHBondContact OH-NE 2.89Å; V762-R777 WeakPolarHBondContact O-CB 3.44Å; V762-R777 VanDerWaalsContact O-CD 3.26Å; V762-R777 WeakPolarHBondContact O-CD 3.13Å; V762-R777 PolarHBondContact O-NH1 3.36Å; N763-R777 PolarHBondContact OD1-N 2.75Å; R777-G779 VanDerWaalsContact C-N 3.28Å; R777-G779 PolarHBondContact O-N 2.74Å
778S61Low83.4Confident28 Ų2838 Ų3820%0.19621%0.207CC..SBendtrans-82.18.1-178.674.60000115.6T376 D776T376-S778 PolarHBondContact OG1-OG 2.86Å; D776-S778 VanDerWaalsContact OD1-CB 3.23Å; D776-S778 WeakPolarHBondContact OD1-CB 3.33Å; D776-S778 PolarHBondContact OD1-N 2.9Å; D776-S778 PolarHBondContact OD1-OG 2.9Å; D776-S778 PolarHBondContact OD2-OG 2.86Å
779G55.8Low83.3Confident19 Ų1949.9 Ų49.920%0.19625%0.251CS..SBendtrans147.4-53.7171.200000113.7R777R777-G779 VanDerWaalsContact C-N 3.28Å; R777-G779 PolarHBondContact O-N 2.74Å
780Q59.2Low83.4Confident104 Ų10449.9 Ų49.949%0.48625%0.246SC..SBendtrans-91.3-5.5-164.6-66-175.4-10.300115.2K782Q780-K782 HydrophobicContact CB-CD 4.25Å; Q780-K782 HydrophobicContact CB-CG 4.06Å; Q780-K782 PolarHBondContact O-N 2.82Å; Q780-K782 VanDerWaalsContact O-N 3.16Å
781G66.1Low83.6Confident41 Ų4152 Ų5242%0.42325%0.246SC..  trans63.519.2-178.200000113.9D776D776-G781 WeakPolarHBondContact O-CA 3.43Å
782K78.3Confident83.8Confident69 Ų6951.9 Ų51.930%0.325%0.245SC..  trans-60.8147.6-178.1-83.7174.6165.9163.60111.1N375 D776 Q780 Y784N375-K782 PolarHBondContact OD1-NZ 3.38Å; D776-K782 HydrophobicContact CB-CB 4.12Å; D776-K782 VanDerWaalsContact CB-O 3.31Å; D776-K782 WeakPolarHBondContact CB-O 3.41Å; D776-K782 PolarHBondContact N-O 2.57Å; Q780-K782 HydrophobicContact CB-CD 4.25Å; Q780-K782 HydrophobicContact CB-CG 4.06Å; Q780-K782 PolarHBondContact O-N 2.82Å; Q780-K782 VanDerWaalsContact O-N 3.16Å; K782-Y784 HydrophobicContact CB-CD2 4.3Å; K782-Y784 HydrophobicContact CB-CE2 3.51Å
783V85.3Confident83.8Confident36 Ų3653.5 Ų53.522%0.21825%0.254CS..EExtended strand (participates in β ladder)trans-122.1110-172.7-177.40000109.1K748 F750 V773 L774 L775K748-V783 HydrophobicContact CD-CG2 4.02Å; K748-V783 HydrophobicContact CG-CG2 4.06Å; F750-V783 HydrophobicContact CE1-CG1 4.45Å; V773-V783 HydrophobicContact CG1-CG1 3.31Å; L774-V783 WeakPolarHBondContact O-CA 3.16Å; L775-V783 HydrophobicContact CD1-CG2 3.98Å
784Y88.5Confident84Confident40 Ų4055.2 Ų55.216%0.15726%0.261CS..EExtended strand (participates in β ladder)trans-103.7113.1-174.2-65.9-97.1000110.3L377 V773 L774 D776 K782 L786 I826L377-Y784 HydrophobicContact CD1-CD2 4.09Å; L377-Y784 HydrophobicContact CD1-CE2 3.34Å; V773-Y784 CarbonylContact C-O 3.55Å; V773-Y784 WeakPolarHBondContact CA-O 3.47Å; L774-Y784 HydrophobicContact CD2-CD2 3.97Å; L774-Y784 PolarHBondContact N-O 3.45Å; L774-Y784 PolarHBondContact O-N 3.12Å; D776-Y784 HydrophobicContact CB-CE2 4.18Å; K782-Y784 HydrophobicContact CB-CD2 4.3Å; K782-Y784 HydrophobicContact CB-CE2 3.51Å; Y784-L786 PolarHBondContact O-N 3.39Å; Y784-I826 HydrophobicContact CD1-CB 4.44Å; Y784-I826 HydrophobicContact CD1-CG1 4.42Å; Y784-I826 HydrophobicContact CD1-CG2 3.89Å; Y784-I826 HydrophobicContact CE1-CG2 3.84Å; Y784-I826 HydrophobicContact CG-CG1 4.45Å; Y784-I826 HydrophobicContact CG-CG2 4.35Å
785H90Very high84.2Confident119 Ų11955.8 Ų55.855%0.55126%0.264SS*.EExtended strand (participates in β ladder)trans-78.3107.1174.9-71.4-99.7000109.8
786L90.8Very high84.6Confident8 Ų857.8 Ų57.84%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-90.4-39.5-172.5-54.2-174.9000112.4L765 L772 L774 Y784 L822 K825 I826L765-L786 HydrophobicContact CD2-CD1 3.59Å; L772-L786 HydrophobicContact CD2-CB 4.42Å; L772-L786 HydrophobicContact CD2-CD1 4.25Å; L772-L786 HydrophobicContact CG-CB 4.46Å; L772-L786 HydrophobicContact CG-CD1 4.38Å; L772-L786 PolarHBondContact O-N 3.27Å; L774-L786 HydrophobicContact CB-CD1 4.02Å; L774-L786 HydrophobicContact CB-CG 4.34Å; Y784-L786 PolarHBondContact O-N 3.39Å; L786-L822 HydrophobicContact CB-CD2 4.28Å; L786-L822 HydrophobicContact CD1-CB 4.36Å; L786-L822 HydrophobicContact CD1-CD1 4.44Å; L786-L822 HydrophobicContact CD1-CD2 4.24Å; L786-K825 PolarHBondContact O-NZ 3.23Å; L786-I826 HydrophobicContact CD2-CD1 4.06Å; L786-I826 HydrophobicContact CD2-CG1 3.56Å
787I92.2Very high85.2Confident18 Ų1858.7 Ų58.79%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-143.5123.6-179.1-54.4172.8000108G771 L772 R790 F792 Y817 W821 L822G771-I787 CarbonylContact C-O 3.32Å; G771-I787 WeakPolarHBondContact CA-O 3.27Å; L772-I787 HydrophobicContact CB-CB 4.06Å; L772-I787 HydrophobicContact CB-CD1 4.36Å; L772-I787 HydrophobicContact CB-CG1 4.35Å; L772-I787 HydrophobicContact CD2-CD1 3.94Å; L772-I787 HydrophobicContact CD2-CG1 4.44Å; L772-I787 PolarHBondContact N-O 2.92Å; L772-I787 PolarHBondContact O-N 2.8Å; I787-R790 HydrophobicContact CG2-CB 4.18Å; I787-F792 HydrophobicContact CB-CE2 4.37Å; I787-F792 HydrophobicContact CB-CZ 4.35Å; I787-F792 HydrophobicContact CD1-CZ 3.82Å; I787-F792 HydrophobicContact CG2-CE2 4.31Å; I787-F792 HydrophobicContact CG2-CZ 4.3Å; I787-Y817 HydrophobicContact CD1-CD1 3.75Å; I787-Y817 HydrophobicContact CD1-CE1 3.3Å; I787-W821 HydrophobicContact CD1-CZ3 4.44Å; I787-L822 HydrophobicContact CD1-CD2 4.43Å
788N91.1Very high86.2Confident105 Ų10556.5 Ų56.556%0.56128%0.276SS*.EExtended strand (participates in β ladder)trans-107.7161.9179.3-63.2-31.9000111.2S770 R790S770-N788 CarbonylContact O-C 3.57Å; N788-R790 VanDerWaalsContact C-N 3.33Å; N788-R790 PolarHBondContact O-N 2.71Å
789R90.7Very high87.6Confident252 Ų25258.7 Ų58.795%0.95128%0.283SS*.SBendtrans57.637.8178.5-55.8179.7-179.5168.5-0.3113.7S770S770-R789 CarbonylContact O-C 3.57Å; S770-R789 VanDerWaalsContact O-CA 3.3Å; S770-R789 WeakPolarHBondContact O-CA 3.44Å; S770-R789 PolarHBondContact O-N 3.31Å
790R93.6Very high89Confident69 Ų6961.2 Ų61.226%0.2631%0.308SS..  trans-148.3119.2179.3178.8176.3-61.6-86.4-5.7111.4S770 G771 I787 N788 F792 R815 Y817S770-R790 CarbonylContact C-O 3.28Å; S770-R790 PolarHBondContact O-N 3.45Å; G771-R790 WeakPolarHBondContact CA-O 3.24Å; G771-R790 PolarHBondContact N-O 3.49Å; G771-R790 VanDerWaalsContact N-O 3.1Å; I787-R790 HydrophobicContact CG2-CB 4.18Å; N788-R790 VanDerWaalsContact C-N 3.33Å; N788-R790 PolarHBondContact O-N 2.71Å; R790-F792 HydrophobicContact CB-CE2 3.96Å; R790-F792 HydrophobicContact CG-CD2 4.29Å; R790-F792 HydrophobicContact CG-CE2 3.67Å; R790-F792 HydrophobicContact CG-CZ 4Å; R790-F792 WeakPolarHBondContact O-CD2 3.05Å; R790-F792 VanDerWaalsContact O-CE2 3.3Å; R790-F792 WeakPolarHBondContact O-CE2 3.4Å; R790-R815 VanDerWaalsContact NH1-CZ 3.25Å; R790-Y817 WeakPolarHBondContact CD-OH 3.25Å
791R95.3Very high90.4Very high98 Ų9857.8 Ų57.837%0.3729%0.292SS..  trans-63.8141.7169.6-176.1155.9167.3116.98.2112.3E753 L755 T768 D769 D793 S808 G809E753-R791 IonicContact OE2-NH1 2.73Å; L755-R791 HydrophobicContact CD1-CG 3.6Å; T768-R791 CarbonylContact O-C 3.52Å; T768-R791 WeakPolarHBondContact O-CA 3.31Å; D769-R791 VanDerWaalsContact O-CA 3.24Å; D769-R791 WeakPolarHBondContact O-CA 3.4Å; D769-R791 VanDerWaalsContact O-CB 3.31Å; D769-R791 WeakPolarHBondContact O-CB 3.28Å; D769-R791 PolarHBondContact O-N 2.72Å; R791-D793 IonicContact CZ-OD1 3.43Å; R791-D793 VanDerWaalsContact CZ-OD1 3.25Å; R791-D793 IonicContact NE-OD1 2.88Å; R791-D793 PolarHBondContact NE-OD1 3.49Å; R791-D793 IonicContact NE-OD2 3.95Å; R791-D793 IonicContact NH2-OD1 3.73Å; R791-D793 PolarHBondContact NH2-OD1 3.06Å; R791-S808 CarbonylContact O-C 3.56Å; R791-S808 WeakPolarHBondContact O-CA 3.33Å; R791-S808 WeakPolarHBondContact O-CB 3.33Å; R791-G809 PolarHBondContact O-N 2.87Å
792F97Very high91.7Very high0 Ų059.1 Ų59.10%029%0.29CS..EExtended strand (participates in β ladder)trans-128.6105.4173.4-73.5-95.6000110L755 C756 T768 G771 L772 I787 R790 T806 Y817L755-F792 VanDerWaalsContact CB-O 3.26Å; L755-F792 WeakPolarHBondContact CB-O 3.45Å; L755-F792 WeakPolarHBondContact CD1-O 3.49Å; C756-F792 PolarHBondContact SG-O 3.25Å; T768-F792 PolarHBondContact O-N 3.3Å; G771-F792 WeakPolarHBondContact O-CD2 3.4Å; L772-F792 HydrophobicContact CB-CD2 4.02Å; L772-F792 HydrophobicContact CB-CE1 4.37Å; L772-F792 HydrophobicContact CB-CE2 3.61Å; L772-F792 HydrophobicContact CB-CZ 3.81Å; L772-F792 HydrophobicContact CD2-CZ 4.49Å; I787-F792 HydrophobicContact CB-CE2 4.37Å; I787-F792 HydrophobicContact CB-CZ 4.35Å; I787-F792 HydrophobicContact CD1-CZ 3.82Å; I787-F792 HydrophobicContact CG2-CE2 4.31Å; I787-F792 HydrophobicContact CG2-CZ 4.3Å; R790-F792 HydrophobicContact CB-CE2 3.96Å; R790-F792 HydrophobicContact CG-CD2 4.29Å; R790-F792 HydrophobicContact CG-CE2 3.67Å; R790-F792 HydrophobicContact CG-CZ 4Å; R790-F792 WeakPolarHBondContact O-CD2 3.05Å; R790-F792 VanDerWaalsContact O-CE2 3.3Å; R790-F792 WeakPolarHBondContact O-CE2 3.4Å; F792-T806 HydrophobicContact CD1-CG2 3.9Å; F792-T806 HydrophobicContact CE1-CG2 4.02Å; F792-Y817 AromaticContact CE1-CE2 3.8Å; F792-Y817 HydrophobicContact CE1-CE2 3.8Å; F792-Y817 HydrophobicContact CZ-CE2 4.34Å
793D95.4Very high92.5Very high34 Ų3455.8 Ų55.818%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-85.1-37.3-171.8-60.6-83.4000112.8R791 I807R791-D793 IonicContact CZ-OD1 3.43Å; R791-D793 VanDerWaalsContact CZ-OD1 3.25Å; R791-D793 IonicContact NE-OD1 2.88Å; R791-D793 PolarHBondContact NE-OD1 3.49Å; R791-D793 IonicContact NE-OD2 3.95Å; R791-D793 IonicContact NH2-OD1 3.73Å; R791-D793 PolarHBondContact NH2-OD1 3.06Å; D793-I807 HydrophobicContact CB-CB 4.39Å; D793-I807 HydrophobicContact CB-CG2 4.02Å; D793-I807 PolarHBondContact N-O 2.95Å
794Q96.8Very high93Very high43 Ų4354.1 Ų54.120%0.20127%0.265CS..EExtended strand (participates in β ladder)trans-146.2148.2177.7-168.7178.319.800109.8T806 I807 H849 F850Q794-T806 CarbonylContact O-C 3.5Å; Q794-T806 VanDerWaalsContact O-CA 3.24Å; Q794-T806 WeakPolarHBondContact O-CA 3.43Å; Q794-I807 HydrophobicContact CB-CB 4.36Å; Q794-I807 HydrophobicContact CB-CD1 4.21Å; Q794-I807 PolarHBondContact O-N 3.23Å; Q794-H849 PolarHBondContact NE2-CD2 3.35Å; Q794-H849 PolarHBondContact NE2-NE2 3.17Å; Q794-F850 HydrophobicContact CB-CD1 4.35Å; Q794-F850 HydrophobicContact CB-CE1 3.91Å; Q794-F850 HydrophobicContact CG-CD1 4.12Å; Q794-F850 HydrophobicContact CG-CE1 3.69Å; Q794-F850 HydrophobicContact CG-CZ 4.35Å; Q794-F850 PolarHBondContact NE2-O 3.04Å
795M97.3Very high93.4Very high12 Ų1252.2 Ų52.26%0.05926%0.257CS..EExtended strand (participates in β ladder)trans-148.5158.6174.273.8173.278.600114.2C756 A758 L765 G767 L772 L804 V805 T806C756-M795 VanDerWaalsContact SG-CE 3.54Å; A758-M795 HydrophobicContact CB-CG 3.84Å; A758-M795 HydrophobicContact CB-SD 3.95Å; L765-M795 HydrophobicContact CB-SD 3.98Å; G767-M795 VanDerWaalsContact CA-CE 3.44Å; L772-M795 HydrophobicContact CD1-CE 3.6Å; L772-M795 HydrophobicContact CD1-SD 4.29Å; M795-L804 HydrophobicContact CB-CD1 4.05Å; M795-L804 HydrophobicContact CG-CD1 4.32Å; M795-L804 HydrophobicContact SD-CD1 3.95Å; M795-V805 CarbonylContact C-O 3.59Å; M795-V805 WeakPolarHBondContact CA-O 3.39Å; M795-T806 HydrophobicContact CB-CG2 3.93Å
796T96.5Very high93.8Very high46 Ų4646.5 Ų46.528%0.28223%0.231SC..EExtended strand (participates in β ladder)trans-149.1132.3173-51.20000110.2V805 F850 I852T796-V805 PolarHBondContact N-O 3.3Å; T796-V805 PolarHBondContact O-N 2.58Å; T796-F850 WeakPolarHBondContact OG1-CE2 3.18Å; T796-F850 WeakPolarHBondContact OG1-CZ 3.39Å; T796-I852 HydrophobicContact CG2-CD1 4.16Å
797V95.8Very high94.1Very high22 Ų2246.1 Ų46.113%0.13323%0.229CC..EExtended strand (participates in β ladder)trans-93.9129.2177.1176.40000109.5A758 L759 W760 L765 E799 L804 L819A758-V797 HydrophobicContact CB-CB 4.47Å; A758-V797 HydrophobicContact CB-CG2 3.69Å; L759-V797 WeakPolarHBondContact O-CB 3.43Å; W760-V797 HydrophobicContact CB-CG1 4.36Å; W760-V797 HydrophobicContact CB-CG2 4.37Å; L765-V797 HydrophobicContact CD1-CG2 3.88Å; V797-E799 HydrophobicContact CG1-CG 3.67Å; V797-L804 HydrophobicContact CG2-CD1 3.57Å; V797-L819 HydrophobicContact CG1-CD1 3.88Å
798L93.9Very high94.3Very high24 Ų2445.3 Ų45.313%0.12623%0.225CC..EExtended strand (participates in β ladder)trans-11386.3169.2-60.9-179.4000109G800 Q801 N802 I803 I852 K859 F882L798-G800 VanDerWaalsContact C-N 3.33Å; L798-G800 PolarHBondContact O-N 3.09Å; L798-Q801 HydrophobicContact CB-CB 4.08Å; L798-Q801 CarbonylContact O-C 3.52Å; L798-Q801 PolarHBondContact O-N 3.36Å; L798-N802 PolarHBondContact O-N 3.19Å; L798-I803 HydrophobicContact CB-CG1 3.97Å; L798-I803 HydrophobicContact CD1-CD1 4.17Å; L798-I803 HydrophobicContact CD1-CG1 4.46Å; L798-I803 PolarHBondContact N-O 3.18Å; L798-I803 PolarHBondContact O-N 2.85Å; L798-I852 HydrophobicContact CD1-CD1 4.01Å; L798-I852 HydrophobicContact CD1-CG2 4.36Å; L798-I852 HydrophobicContact CD2-CD1 4.42Å; L798-I852 HydrophobicContact CD2-CG2 4.37Å; L798-I852 HydrophobicContact CG-CD1 4.26Å; L798-K859 HydrophobicContact CD1-CD 4.18Å; L798-F882 HydrophobicContact CD1-CZ 4.09Å
799E89.5Confident94.5Very high74 Ų7440.6 Ų40.635%0.34620%0.202SC..G310 helixtrans-57-45-175.9-60.6-179.5154.500111.9G761 V797 Q801 N802 R1033G761-E799 WeakPolarHBondContact CA-OE1 3.43Å; G761-E799 PolarHBondContact N-OE1 2.86Å; V797-E799 HydrophobicContact CG1-CG 3.67Å; E799-Q801 PolarHBondContact O-N 3.44Å; E799-Q801 VanDerWaalsContact O-N 3.13Å; E799-N802 PolarHBondContact O-N 2.72Å; E799-R1033 IonicContact OE1-CZ 2.72Å; E799-R1033 IonicContact OE1-NH1 3Å; E799-R1033 PolarHBondContact OE1-NH1 3.07Å; E799-R1033 IonicContact OE1-NH2 3.76Å; E799-R1033 IonicContact OE2-CZ 2.89Å; E799-R1033 IonicContact OE2-NH1 3.9Å; E799-R1033 PolarHBondContact OE2-NH1 3.25Å; E799-R1033 IonicContact OE2-NH2 3.17Å; E799-R1033 PolarHBondContact OE2-NH2 3.26Å
800G86Confident94.6Very high71 Ų7139.2 Ų39.273%0.73220%0.202SC*.G310 helixtrans-67.9-6.9176.900000115.3L798L798-G800 VanDerWaalsContact C-N 3.33Å; L798-G800 PolarHBondContact O-N 3.09Å
801Q89Confident94.7Very high33 Ų3342 Ų4215%0.15422%0.217CC..G310 helixtrans-112.3-0.1169.3-78.861.863.800111.7L798 E799 I803 K859 W874 H880L798-Q801 HydrophobicContact CB-CB 4.08Å; L798-Q801 CarbonylContact O-C 3.52Å; L798-Q801 PolarHBondContact O-N 3.36Å; E799-Q801 PolarHBondContact O-N 3.44Å; E799-Q801 VanDerWaalsContact O-N 3.13Å; Q801-I803 VanDerWaalsContact C-N 3.28Å; Q801-I803 HydrophobicContact CB-CD1 4.12Å; Q801-I803 HydrophobicContact CB-CG1 3.78Å; Q801-I803 PolarHBondContact O-N 2.69Å; Q801-K859 VanDerWaalsContact OE1-NZ 3.16Å; Q801-W874 HydrophobicContact CB-CH2 4.19Å; Q801-W874 HydrophobicContact CB-CZ2 3.88Å; Q801-W874 HydrophobicContact CG-CD2 4.08Å; Q801-W874 VanDerWaalsContact CG-CE2 3.44Å; Q801-W874 HydrophobicContact CG-CH2 4.2Å; Q801-W874 HydrophobicContact CG-CZ2 3.51Å; Q801-H880 PolarHBondContact O-CE1 2.73Å; Q801-H880 PolarHBondContact O-NE2 3.27Å
802N92.5Very high94.7Very high68 Ų6841.6 Ų41.636%0.36422%0.215SC..THydrogen-bonded Turntrans55.236.5-177-166.550.9000113.9L798 E799 L819 S820L798-N802 PolarHBondContact O-N 3.19Å; E799-N802 PolarHBondContact O-N 2.72Å; N802-L819 WeakPolarHBondContact O-CB 3.37Å; N802-L819 PolarHBondContact O-N 2.86Å; N802-L819 WeakPolarHBondContact OD1-CB 3.39Å; N802-S820 PolarHBondContact ND2-OG 2.85Å
803I94.6Very high94.7Very high0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-134.3159-176.959.7168000114.6L798 Q801 V805 V816 Y817 Y818 W874 F882L798-I803 HydrophobicContact CB-CG1 3.97Å; L798-I803 HydrophobicContact CD1-CD1 4.17Å; L798-I803 HydrophobicContact CD1-CG1 4.46Å; L798-I803 PolarHBondContact N-O 3.18Å; L798-I803 PolarHBondContact O-N 2.85Å; Q801-I803 VanDerWaalsContact C-N 3.28Å; Q801-I803 HydrophobicContact CB-CD1 4.12Å; Q801-I803 HydrophobicContact CB-CG1 3.78Å; Q801-I803 PolarHBondContact O-N 2.69Å; I803-V805 HydrophobicContact CD1-CG2 4.2Å; I803-V816 HydrophobicContact CB-CG1 3.59Å; I803-V816 HydrophobicContact CD1-CG1 3.64Å; I803-V816 HydrophobicContact CG1-CG1 4.19Å; I803-V816 HydrophobicContact CG2-CG1 3.59Å; I803-Y817 CarbonylContact C-O 3.57Å; I803-Y817 VanDerWaalsContact CA-O 3.31Å; I803-Y817 WeakPolarHBondContact CA-O 3.36Å; I803-Y818 HydrophobicContact CG2-CD1 3.85Å; I803-Y818 HydrophobicContact CG2-CE1 4.23Å; I803-W874 HydrophobicContact CD1-CE3 4.13Å; I803-W874 HydrophobicContact CD1-CH2 3.59Å; I803-W874 HydrophobicContact CD1-CZ3 3.31Å; I803-F882 HydrophobicContact CD1-CE2 4.07Å
804L96.7Very high94.8Very high0 Ų042.5 Ų42.50%022%0.216CC..EExtended strand (participates in β ladder)trans-120.6115.2170.9171.375.7000108.8L765 L772 M795 V797 T806 V816 Y817 L819 L822L765-L804 HydrophobicContact CD1-CD1 4.04Å; L765-L804 HydrophobicContact CD1-CD2 4.22Å; L772-L804 HydrophobicContact CD2-CD2 3.82Å; M795-L804 HydrophobicContact CB-CD1 4.05Å; M795-L804 HydrophobicContact CG-CD1 4.32Å; M795-L804 HydrophobicContact SD-CD1 3.95Å; V797-L804 HydrophobicContact CG2-CD1 3.57Å; L804-T806 HydrophobicContact CD1-CG2 4.44Å; L804-T806 HydrophobicContact CD2-CG2 4.01Å; L804-T806 HydrophobicContact CG-CG2 3.81Å; L804-V816 CarbonylContact O-C 3.51Å; L804-V816 WeakPolarHBondContact O-CA 3.39Å; L804-Y817 PolarHBondContact N-O 2.86Å; L804-Y817 PolarHBondContact O-N 3.25Å; L804-L819 HydrophobicContact CB-CD2 3.85Å; L804-L822 HydrophobicContact CD2-CD1 3.97Å
805V97.5Very high94.7Very high0 Ų041.3 Ų41.30%021%0.209CC..EExtended strand (participates in β ladder)trans-89.5140173.6-171.60000109M795 T796 I803 I814 R815 V816 F850 I852 L861 F882M795-V805 CarbonylContact C-O 3.59Å; M795-V805 WeakPolarHBondContact CA-O 3.39Å; T796-V805 PolarHBondContact N-O 3.3Å; T796-V805 PolarHBondContact O-N 2.58Å; I803-V805 HydrophobicContact CD1-CG2 4.2Å; V805-I814 HydrophobicContact CG1-CG2 4.15Å; V805-R815 CarbonylContact C-O 3.59Å; V805-R815 WeakPolarHBondContact CA-O 3.36Å; V805-V816 HydrophobicContact CG2-CG2 4.47Å; V805-F850 HydrophobicContact CB-CE2 4.1Å; V805-F850 HydrophobicContact CB-CZ 4.16Å; V805-F850 HydrophobicContact CG1-CD2 4.29Å; V805-F850 HydrophobicContact CG1-CE2 3.76Å; V805-F850 HydrophobicContact CG1-CZ 3.92Å; V805-I852 HydrophobicContact CB-CD1 4.02Å; V805-I852 HydrophobicContact CG1-CD1 4.4Å; V805-I852 HydrophobicContact CG2-CD1 3.75Å; V805-L861 HydrophobicContact CG1-CD1 4.39Å; V805-L861 HydrophobicContact CG1-CD2 4.39Å; V805-F882 HydrophobicContact CG2-CE2 3.75Å; V805-F882 HydrophobicContact CG2-CZ 4.44Å
806T97.9Very high94.6Very high0 Ų041.3 Ų41.30%021%0.21CC..EExtended strand (participates in β ladder)trans-146.6149.3-175.465.80000112.9F792 Q794 M795 L804 S808 I814 R815 Y817F792-T806 HydrophobicContact CD1-CG2 3.9Å; F792-T806 HydrophobicContact CE1-CG2 4.02Å; Q794-T806 CarbonylContact O-C 3.5Å; Q794-T806 VanDerWaalsContact O-CA 3.24Å; Q794-T806 WeakPolarHBondContact O-CA 3.43Å; M795-T806 HydrophobicContact CB-CG2 3.93Å; L804-T806 HydrophobicContact CD1-CG2 4.44Å; L804-T806 HydrophobicContact CD2-CG2 4.01Å; L804-T806 HydrophobicContact CG-CG2 3.81Å; T806-S808 PolarHBondContact OG1-OG 3.32Å; T806-I814 CarbonylContact O-C 3.5Å; T806-I814 VanDerWaalsContact O-CA 3.25Å; T806-I814 WeakPolarHBondContact O-CA 3.37Å; T806-R815 PolarHBondContact N-O 2.9Å; T806-R815 PolarHBondContact O-N 3.25Å; T806-R815 PolarHBondContact OG1-O 2.84Å; T806-Y817 HydrophobicContact CG2-CD2 4.02Å; T806-Y817 HydrophobicContact CG2-CE2 4.16Å; T806-Y817 WeakPolarHBondContact OG1-CE2 3.25Å
807I97.7Very high94.5Very high0 Ų039.2 Ų39.20%020%0.197CC..EExtended strand (participates in β ladder)trans-89.7123.3149.8-67.7167.3000106.8D793 Q794 R812 I814 A847 I848 F850D793-I807 HydrophobicContact CB-CB 4.39Å; D793-I807 HydrophobicContact CB-CG2 4.02Å; D793-I807 PolarHBondContact N-O 2.95Å; Q794-I807 HydrophobicContact CB-CB 4.36Å; Q794-I807 HydrophobicContact CB-CD1 4.21Å; Q794-I807 PolarHBondContact O-N 3.23Å; I807-R812 HydrophobicContact CG2-CB 3.98Å; I807-R812 HydrophobicContact CG2-CG 4.4Å; I807-I814 HydrophobicContact CD1-CD1 4.34Å; I807-I814 HydrophobicContact CG1-CD1 3.56Å; I807-A847 HydrophobicContact CD1-CB 4.11Å; I807-A847 HydrophobicContact CG1-CB 4.02Å; I807-I848 WeakPolarHBondContact CD1-O 3.49Å; I807-F850 HydrophobicContact CD1-CD1 3.86Å; I807-F850 HydrophobicContact CG1-CD1 3.77Å; I807-F850 HydrophobicContact CG1-CE1 4.21Å
808S96.4Very high94.4Very high0 Ų041.8 Ų41.80%021%0.205CC..EExtended strand (participates in β ladder)trans-150.6156.2-176.155.70000116.3R791 T806 R813 R815R791-S808 CarbonylContact O-C 3.56Å; R791-S808 WeakPolarHBondContact O-CA 3.33Å; R791-S808 WeakPolarHBondContact O-CB 3.33Å; T806-S808 PolarHBondContact OG1-OG 3.32Å; S808-R813 PolarHBondContact N-O 3.28Å; S808-R813 PolarHBondContact O-N 3.12Å; S808-R815 VanDerWaalsContact C-NH1 3.34Å; S808-R815 PolarHBondContact O-NH1 3.11Å; S808-R815 PolarHBondContact OG-NH1 3.04Å
809G94.6Very high94.3Very high7 Ų740.7 Ų40.77%0.07220%0.199CC..THydrogen-bonded Turntrans69.917017500000114.9R791 K811 R812R791-G809 PolarHBondContact O-N 2.87Å; G809-K811 PolarHBondContact O-N 3.23Å; G809-R812 PolarHBondContact O-N 2.92Å
810K93.5Very high94.2Very high222 Ų22239.6 Ų39.697%0.96520%0.2SC*.THydrogen-bonded Turntrans-50.1-20.6-173.2-63.5-168.6176-168.40116.7
811K94.5Very high94.4Very high129 Ų12937.9 Ų37.956%0.56117%0.171SC*.THydrogen-bonded Turntrans-105.713.8-178.5-74.3-174.5149.1-134.60113.9G809 R813 Q845 G846G809-K811 PolarHBondContact O-N 3.23Å; K811-R813 VanDerWaalsContact C-N 3.33Å; K811-R813 HydrophobicContact CB-CG 4.16Å; K811-R813 PolarHBondContact O-N 2.82Å; K811-Q845 HydrophobicContact CB-CG 4.41Å; K811-G846 PolarHBondContact O-N 3.35Å
812R96.1Very high94.4Very high89 Ų8936.3 Ų36.334%0.33616%0.164SC..THydrogen-bonded Turntrans38.958.4-177.8-64179.374.2153.910.9112.2I807 G809 G846 A847 I848I807-R812 HydrophobicContact CG2-CB 3.98Å; I807-R812 HydrophobicContact CG2-CG 4.4Å; G809-R812 PolarHBondContact O-N 2.92Å; R812-G846 PolarHBondContact O-N 3.4Å; R812-A847 PolarHBondContact NE-O 2.97Å; R812-A847 PolarHBondContact NH2-O 2.91Å; R812-A847 VanDerWaalsContact O-CB 3.27Å; R812-A847 WeakPolarHBondContact O-CB 3.38Å; R812-A847 PolarHBondContact O-N 3.17Å; R812-I848 PolarHBondContact NH2-O 2.93Å
813R96Very high94.1Very high53 Ų5334.8 Ų34.820%0.215%0.154CC..EExtended strand (participates in β ladder)trans-93.7141.5-179-62.5-152.5177.4176.3-8.9111.1S808 K811 R815 L844 Q845S808-R813 PolarHBondContact N-O 3.28Å; S808-R813 PolarHBondContact O-N 3.12Å; K811-R813 VanDerWaalsContact C-N 3.33Å; K811-R813 HydrophobicContact CB-CG 4.16Å; K811-R813 PolarHBondContact O-N 2.82Å; R813-R815 PolarHBondContact O-N 2.89Å; R813-L844 WeakPolarHBondContact CD-O 2.88Å; R813-L844 WeakPolarHBondContact CG-O 3.47Å; R813-Q845 HydrophobicContact CG-CG 3.91Å; R813-Q845 VanDerWaalsContact NE-CG 3.28Å; R813-Q845 VanDerWaalsContact NH2-CD 3.29Å; R813-Q845 VanDerWaalsContact NH2-OE1 3.07Å
814I97.3Very high93.5Very high0 Ų039.3 Ų39.30%018%0.175CC..EExtended strand (participates in β ladder)trans-68.5122.2167.1-55.6-68.5000109.3V805 T806 I807 N840 V841 L844 A847 F850 L861 V863V805-I814 HydrophobicContact CG1-CG2 4.15Å; T806-I814 CarbonylContact O-C 3.5Å; T806-I814 VanDerWaalsContact O-CA 3.25Å; T806-I814 WeakPolarHBondContact O-CA 3.37Å; I807-I814 HydrophobicContact CD1-CD1 4.34Å; I807-I814 HydrophobicContact CG1-CD1 3.56Å; I814-N840 WeakPolarHBondContact O-CA 3.5Å; I814-V841 HydrophobicContact CB-CB 4.07Å; I814-V841 HydrophobicContact CB-CG2 4.48Å; I814-V841 HydrophobicContact CG2-CB 3.65Å; I814-V841 HydrophobicContact CG2-CG2 3.58Å; I814-V841 PolarHBondContact O-N 2.73Å; I814-L844 HydrophobicContact CB-CD1 4.43Å; I814-L844 HydrophobicContact CG1-CD1 4.05Å; I814-A847 HydrophobicContact CD1-CB 3.87Å; I814-A847 HydrophobicContact CG1-CB 4.02Å; I814-F850 HydrophobicContact CD1-CB 4.13Å; I814-F850 HydrophobicContact CD1-CD1 4.06Å; I814-F850 HydrophobicContact CD1-CG 4.28Å; I814-L861 HydrophobicContact CG2-CD2 4.27Å; I814-V863 HydrophobicContact CD1-CG1 3.81Å; I814-V863 HydrophobicContact CD1-CG2 4.14Å; I814-V863 HydrophobicContact CG1-CG1 3.81Å; I814-V863 HydrophobicContact CG1-CG2 4.09Å
815R95.4Very high92.8Very high18 Ų1842.6 Ų42.67%0.06819%0.189CC..EExtended strand (participates in β ladder)trans-129.3138.1174.8-72.4-176.5-172.876.918.2112.4R790 V805 T806 S808 R813 Y817 W838 V839R790-R815 VanDerWaalsContact NH1-CZ 3.25Å; V805-R815 CarbonylContact C-O 3.59Å; V805-R815 WeakPolarHBondContact CA-O 3.36Å; T806-R815 PolarHBondContact N-O 2.9Å; T806-R815 PolarHBondContact O-N 3.25Å; T806-R815 PolarHBondContact OG1-O 2.84Å; S808-R815 VanDerWaalsContact C-NH1 3.34Å; S808-R815 PolarHBondContact O-NH1 3.11Å; S808-R815 PolarHBondContact OG-NH1 3.04Å; R813-R815 PolarHBondContact O-N 2.89Å; R815-Y817 HydrophobicContact CB-CD2 4.23Å; R815-Y817 HydrophobicContact CB-CE2 3.72Å; R815-Y817 WeakPolarHBondContact CD-OH 3.43Å; R815-W838 HydrophobicContact CG-CE3 3.85Å; R815-W838 HydrophobicContact CG-CZ3 4.11Å; R815-W838 VanDerWaalsContact NE-CZ3 3.3Å; R815-V839 WeakPolarHBondContact CA-O 3.25Å
816V95.8Very high92.1Very high11 Ų1143.2 Ų43.27%0.06719%0.193CC..EExtended strand (participates in β ladder)trans-99.6116.8167.8-172.70000108.1I803 L804 V805 W838 V839 V841 F882I803-V816 HydrophobicContact CB-CG1 3.59Å; I803-V816 HydrophobicContact CD1-CG1 3.64Å; I803-V816 HydrophobicContact CG1-CG1 4.19Å; I803-V816 HydrophobicContact CG2-CG1 3.59Å; L804-V816 CarbonylContact O-C 3.51Å; L804-V816 WeakPolarHBondContact O-CA 3.39Å; V805-V816 HydrophobicContact CG2-CG2 4.47Å; V816-W838 CarbonylContact O-C 3.57Å; V816-W838 WeakPolarHBondContact O-CA 3.26Å; V816-W838 WeakPolarHBondContact O-CB 3.46Å; V816-V839 PolarHBondContact N-O 2.9Å; V816-V839 PolarHBondContact O-N 2.82Å; V816-V841 HydrophobicContact CG2-CG2 3.64Å; V816-F882 HydrophobicContact CG2-CD2 4.06Å
817Y94.9Very high91Very high2 Ų245.2 Ų45.21%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-97.7138.7170.4-68.6-93.5000109.6I787 R790 F792 I803 L804 T806 R815 W821 W838I787-Y817 HydrophobicContact CD1-CD1 3.75Å; I787-Y817 HydrophobicContact CD1-CE1 3.3Å; R790-Y817 WeakPolarHBondContact CD-OH 3.25Å; F792-Y817 AromaticContact CE1-CE2 3.8Å; F792-Y817 HydrophobicContact CE1-CE2 3.8Å; F792-Y817 HydrophobicContact CZ-CE2 4.34Å; I803-Y817 CarbonylContact C-O 3.57Å; I803-Y817 VanDerWaalsContact CA-O 3.31Å; I803-Y817 WeakPolarHBondContact CA-O 3.36Å; L804-Y817 PolarHBondContact N-O 2.86Å; L804-Y817 PolarHBondContact O-N 3.25Å; T806-Y817 HydrophobicContact CG2-CD2 4.02Å; T806-Y817 HydrophobicContact CG2-CE2 4.16Å; T806-Y817 WeakPolarHBondContact OG1-CE2 3.25Å; R815-Y817 HydrophobicContact CB-CD2 4.23Å; R815-Y817 HydrophobicContact CB-CE2 3.72Å; R815-Y817 WeakPolarHBondContact CD-OH 3.43Å; Y817-W821 HydrophobicContact CD1-CZ3 4.15Å; Y817-W838 HydrophobicContact CD1-CB 3.39Å; Y817-W838 AromaticContact CD1-CG 3.96Å; Y817-W838 HydrophobicContact CD1-CG 3.96Å; Y817-W838 HydrophobicContact CD2-CB 4.48Å; Y817-W838 HydrophobicContact CE1-CB 3.56Å; Y817-W838 AromaticContact CE1-CD1 3.76Å; Y817-W838 HydrophobicContact CE1-CD2 4.46Å; Y817-W838 AromaticContact CE1-CG 3.62Å; Y817-W838 HydrophobicContact CE1-CG 3.62Å; Y817-W838 HydrophobicContact CG-CB 3.86Å
818Y92.7Very high89.5Confident76 Ų7655.1 Ų55.130%0.29824%0.24SC..EExtended strand (participates in β ladder)trans-79.8124.3173.9-61.6-69.8000110.3I803 S820 W821 L822 G837 V839I803-Y818 HydrophobicContact CG2-CD1 3.85Å; I803-Y818 HydrophobicContact CG2-CE1 4.23Å; Y818-S820 PolarHBondContact O-N 3.13Å; Y818-W821 PolarHBondContact O-N 3.35Å; Y818-W821 VanDerWaalsContact O-N 3.09Å; Y818-L822 PolarHBondContact O-N 2.99Å; Y818-G837 PolarHBondContact N-O 2.71Å; Y818-V839 HydrophobicContact CE2-CG2 4.12Å
819L91.8Very high87.4Confident1 Ų158.4 Ų58.41%0.00526%0.263CS..Hα-helixtrans-64.9-29-179.8-65.1174.6000111.7W760 V797 N802 L804 W821 L822 K823W760-L819 HydrophobicContact CD2-CD2 3.96Å; W760-L819 HydrophobicContact CE3-CD2 4.31Å; W760-L819 HydrophobicContact CG-CD2 4.29Å; W760-L819 HydrophobicContact CH2-CB 4.46Å; W760-L819 WeakPolarHBondContact CH2-O 3.32Å; W760-L819 HydrophobicContact CZ2-CB 3.78Å; W760-L819 HydrophobicContact CZ2-CD2 4.37Å; W760-L819 WeakPolarHBondContact CZ2-O 3.14Å; V797-L819 HydrophobicContact CG1-CD1 3.88Å; N802-L819 WeakPolarHBondContact O-CB 3.37Å; N802-L819 PolarHBondContact O-N 2.86Å; N802-L819 WeakPolarHBondContact OD1-CB 3.39Å; L804-L819 HydrophobicContact CB-CD2 3.85Å; L819-W821 VanDerWaalsContact C-N 3.34Å; L819-W821 PolarHBondContact O-N 3.04Å; L819-L822 HydrophobicContact CD2-CD1 4.25Å; L819-L822 PolarHBondContact O-N 3.36Å; L819-K823 WeakPolarHBondContact O-CB 3.42Å; L819-K823 PolarHBondContact O-N 3.04Å
820S88.1Confident84.9Confident52 Ų5267.5 Ų67.536%0.36430%0.304SS..Hα-helixtrans-60.3-39171.243.90000113.2N802 Y818 K823 Q824N802-S820 PolarHBondContact ND2-OG 2.85Å; Y818-S820 PolarHBondContact O-N 3.13Å; S820-K823 WeakPolarHBondContact O-CB 3.19Å; S820-K823 PolarHBondContact O-N 3.27Å; S820-Q824 WeakPolarHBondContact O-CG 3.48Å; S820-Q824 PolarHBondContact O-N 2.74Å
821W88.7Confident82.7Confident35 Ų3560.4 Ų60.413%0.13329%0.293CS..Hα-helixtrans-72.9-36.7176.518082.3000112I787 Y817 Y818 L819 K823 Q824 K825I787-W821 HydrophobicContact CD1-CZ3 4.44Å; Y817-W821 HydrophobicContact CD1-CZ3 4.15Å; Y818-W821 PolarHBondContact O-N 3.35Å; Y818-W821 VanDerWaalsContact O-N 3.09Å; L819-W821 VanDerWaalsContact C-N 3.34Å; L819-W821 PolarHBondContact O-N 3.04Å; W821-K823 VanDerWaalsContact C-N 3.3Å; W821-K823 PolarHBondContact O-N 3.05Å; W821-Q824 PolarHBondContact O-N 3.23Å; W821-K825 HydrophobicContact CD2-CD 4.41Å; W821-K825 HydrophobicContact CE3-CD 4.25Å; W821-K825 HydrophobicContact CH2-CD 4.16Å; W821-K825 HydrophobicContact CZ2-CD 4.28Å; W821-K825 HydrophobicContact CZ3-CD 4.12Å; W821-K825 PolarHBondContact O-N 3.35Å; W821-K825 VanDerWaalsContact O-N 3.11Å
822L89.8Confident80.6Confident0 Ų058 Ų580%029%0.286CS..Hα-helixtrans-64.4-35.3170.2-61.6-179.4000111.5W760 L772 L786 I787 L804 Y818 L819 K825 I826W760-L822 HydrophobicContact CH2-CB 4.02Å; W760-L822 HydrophobicContact CZ3-CB 4Å; L772-L822 HydrophobicContact CD2-CD1 4.21Å; L772-L822 HydrophobicContact CD2-CD2 4.44Å; L786-L822 HydrophobicContact CB-CD2 4.28Å; L786-L822 HydrophobicContact CD1-CB 4.36Å; L786-L822 HydrophobicContact CD1-CD1 4.44Å; L786-L822 HydrophobicContact CD1-CD2 4.24Å; I787-L822 HydrophobicContact CD1-CD2 4.43Å; L804-L822 HydrophobicContact CD2-CD1 3.97Å; Y818-L822 PolarHBondContact O-N 2.99Å; L819-L822 HydrophobicContact CD2-CD1 4.25Å; L819-L822 PolarHBondContact O-N 3.36Å; L822-K825 PolarHBondContact O-N 3.28Å; L822-I826 WeakPolarHBondContact O-CG1 3.1Å; L822-I826 PolarHBondContact O-N 2.71Å
823K85.7Confident78.2Confident35 Ų3559.1 Ų59.115%0.15230%0.295CS..Hα-helixtrans-63.7-47.2173.7-169.4-169.1-177.4-171.50111F381 W760 L819 S820 W821 K825 I826 L827F381-K823 VanDerWaalsContact CB-CE 3.44Å; F381-K823 HydrophobicContact CD1-CD 4.3Å; F381-K823 HydrophobicContact CD1-CG 4.25Å; F381-K823 HydrophobicContact CD2-CG 4.4Å; F381-K823 HydrophobicContact CE1-CG 4.41Å; F381-K823 HydrophobicContact CG-CG 4.25Å; F381-K823 WeakPolarHBondContact O-CE 3.4Å; F381-K823 PolarHBondContact O-NZ 3.23Å; W760-K823 HydrophobicContact CH2-CB 4.05Å; W760-K823 HydrophobicContact CZ2-CB 4.32Å; L819-K823 WeakPolarHBondContact O-CB 3.42Å; L819-K823 PolarHBondContact O-N 3.04Å; S820-K823 WeakPolarHBondContact O-CB 3.19Å; S820-K823 PolarHBondContact O-N 3.27Å; W821-K823 VanDerWaalsContact C-N 3.3Å; W821-K823 PolarHBondContact O-N 3.05Å; K823-K825 VanDerWaalsContact C-N 3.31Å; K823-K825 PolarHBondContact O-N 3.35Å; K823-I826 PolarHBondContact O-N 2.99Å; K823-I826 VanDerWaalsContact O-N 3.12Å; K823-L827 HydrophobicContact CG-CD1 4.07Å; K823-L827 WeakPolarHBondContact O-CG 3.27Å; K823-L827 PolarHBondContact O-N 3.5Å; K823-L827 VanDerWaalsContact O-N 3.11Å
824Q83Confident76.2Confident96 Ų9667 Ų6745%0.44933%0.33SS..Hα-helixtrans-56.9-42.7175.7-74.3168.7-25.300112.2S820 W821 I826 L827 R828S820-Q824 WeakPolarHBondContact O-CG 3.48Å; S820-Q824 PolarHBondContact O-N 2.74Å; W821-Q824 PolarHBondContact O-N 3.23Å; Q824-I826 VanDerWaalsContact C-N 3.33Å; Q824-I826 PolarHBondContact O-N 3.25Å; Q824-L827 PolarHBondContact O-N 2.81Å; Q824-R828 PolarHBondContact O-N 2.88Å
825K82.1Confident74.4Confident69 Ų6969.9 Ų69.930%0.334%0.341SS..Hα-helixtrans-61.9-34.3175.5-79.9-177.5152.3-1690114.3L786 W821 L822 K823 I832L786-K825 PolarHBondContact O-NZ 3.23Å; W821-K825 HydrophobicContact CD2-CD 4.41Å; W821-K825 HydrophobicContact CE3-CD 4.25Å; W821-K825 HydrophobicContact CH2-CD 4.16Å; W821-K825 HydrophobicContact CZ2-CD 4.28Å; W821-K825 HydrophobicContact CZ3-CD 4.12Å; W821-K825 PolarHBondContact O-N 3.35Å; W821-K825 VanDerWaalsContact O-N 3.11Å; L822-K825 PolarHBondContact O-N 3.28Å; K823-K825 VanDerWaalsContact C-N 3.31Å; K823-K825 PolarHBondContact O-N 3.35Å; K825-I832 HydrophobicContact CG-CD1 4.24Å
826I81.6Confident73.3Confident13 Ų1374.6 Ų74.67%0.06737%0.368CS..Hα-helixtrans-71.4-36.7175.9-67162.8000110.8L377 F381 W760 L774 Y784 L786 L822 K823 Q824 R828L377-I826 HydrophobicContact CD1-CG2 4.28Å; F381-I826 HydrophobicContact CE2-CD1 4.31Å; F381-I826 HydrophobicContact CE2-CG2 4.18Å; W760-I826 HydrophobicContact CH2-CD1 4.31Å; W760-I826 HydrophobicContact CZ3-CD1 3.93Å; L774-I826 HydrophobicContact CD1-CD1 3.98Å; L774-I826 HydrophobicContact CD2-CD1 4.39Å; Y784-I826 HydrophobicContact CD1-CB 4.44Å; Y784-I826 HydrophobicContact CD1-CG1 4.42Å; Y784-I826 HydrophobicContact CD1-CG2 3.89Å; Y784-I826 HydrophobicContact CE1-CG2 3.84Å; Y784-I826 HydrophobicContact CG-CG1 4.45Å; Y784-I826 HydrophobicContact CG-CG2 4.35Å; L786-I826 HydrophobicContact CD2-CD1 4.06Å; L786-I826 HydrophobicContact CD2-CG1 3.56Å; L822-I826 WeakPolarHBondContact O-CG1 3.1Å; L822-I826 PolarHBondContact O-N 2.71Å; K823-I826 PolarHBondContact O-N 2.99Å; K823-I826 VanDerWaalsContact O-N 3.12Å; Q824-I826 VanDerWaalsContact C-N 3.33Å; Q824-I826 PolarHBondContact O-N 3.25Å; I826-R828 VanDerWaalsContact C-N 3.33Å; I826-R828 PolarHBondContact O-N 3.37Å
827L76.4Confident72.7Confident42 Ų4274.3 Ų74.322%0.2237%0.367CS..Hα-helixtrans-77.6-10.6-175.4-69.4170.6000114.8R378 K823 Q824 S829R378-L827 HydrophobicContact CB-CD2 4.16Å; R378-L827 HydrophobicContact CG-CD2 3.89Å; K823-L827 HydrophobicContact CG-CD1 4.07Å; K823-L827 WeakPolarHBondContact O-CG 3.27Å; K823-L827 PolarHBondContact O-N 3.5Å; K823-L827 VanDerWaalsContact O-N 3.11Å; Q824-L827 PolarHBondContact O-N 2.81Å; L827-S829 PolarHBondContact O-N 2.83Å
828R65.1Low72.4Confident208 Ų20877 Ų7779%0.78538%0.377SS*.THydrogen-bonded Turntrans50.737.4-177.4-61.1-176.3175.9180-1.6114.1Q824 I826 E830Q824-R828 PolarHBondContact O-N 2.88Å; I826-R828 VanDerWaalsContact C-N 3.33Å; I826-R828 PolarHBondContact O-N 3.37Å; R828-E830 PolarHBondContact O-N 3.41Å; R828-E830 VanDerWaalsContact O-N 3.11Å
829S52.8Low72.4Confident68 Ų6876.7 Ų76.748%0.47638%0.383SS..  trans-62.7115.2168.9-69.30000109.5L827 I832L827-S829 PolarHBondContact O-N 2.83Å; S829-I832 WeakPolarHBondContact O-CG1 3.4Å
830E41.7Very low72.4Confident199 Ų19978.9 Ų78.993%0.9340%0.395SS*.SBendtrans-60.9138.8163.8-60.5-174.2159.400108.3R828R828-E830 PolarHBondContact O-N 3.41Å; R828-E830 VanDerWaalsContact O-N 3.11Å
831G46.7Very low72.6Confident72 Ų7276.7 Ų76.774%0.74238%0.379SS*.  trans9425.3-166.700000115.8E833G831-E833 PolarHBondContact O-N 2.73Å
832I51.3Low72.4Confident79 Ų7976.6 Ų76.641%0.40539%0.39SS..  trans-62.8102.7162.9-57.2-178.9000108.5K825 S829K825-I832 HydrophobicContact CG-CD1 4.24Å; S829-I832 WeakPolarHBondContact O-CG1 3.4Å
833E46.3Very low72.4Confident113 Ų11383.1 Ų83.153%0.52843%0.425SS..  trans-52.3147.2172.7-69.2-173.3-142.500111.6G831 R835G831-E833 PolarHBondContact O-N 2.73Å; E833-R835 HydrophobicContact CB-CG 4.23Å; E833-R835 PolarHBondContact O-N 3.12Å; E833-R835 IonicContact OE1-NH2 3.79Å; E833-R835 IonicContact OE2-CZ 2.76Å; E833-R835 IonicContact OE2-NE 2.83Å; E833-R835 PolarHBondContact OE2-NE 2.8Å; E833-R835 IonicContact OE2-NH2 2.65Å; E833-R835 PolarHBondContact OE2-NH2 2.98Å
834K54.1Low72.6Confident217 Ų21782.2 Ų82.294%0.94342%0.421SS*.SBendtrans-65.312.7-176.5-65.5177.5179.1171.50115
835R58.6Low73Confident61 Ų6181.2 Ų81.223%0.2342%0.417CS..  trans-68.7137.4-179.6-59.2-174-163.9-148.90.1111.6N195 T196 E833 G837N195-R835 VanDerWaalsContact CB-NH1 3.32Å; N195-R835 VanDerWaalsContact OD1-CZ 3.29Å; N195-R835 PolarHBondContact OD1-NH1 3.01Å; N195-R835 PolarHBondContact OD1-NH2 2.83Å; T196-R835 HydrophobicContact CG2-CG 4.39Å; T196-R835 VanDerWaalsContact O-CZ 3.32Å; T196-R835 PolarHBondContact O-NH2 3.32Å; T196-R835 PolarHBondContact OG1-NH1 2.86Å; E833-R835 HydrophobicContact CB-CG 4.23Å; E833-R835 PolarHBondContact O-N 3.12Å; E833-R835 IonicContact OE1-NH2 3.79Å; E833-R835 IonicContact OE2-CZ 2.76Å; E833-R835 IonicContact OE2-NE 2.83Å; E833-R835 PolarHBondContact OE2-NE 2.8Å; E833-R835 IonicContact OE2-NH2 2.65Å; E833-R835 PolarHBondContact OE2-NH2 2.98Å; R835-G837 PolarHBondContact O-N 3.01Å; R835-G837 VanDerWaalsContact O-N 3.12Å
836N71.6Confident73.6Confident117 Ų11778.5 Ų78.563%0.62641%0.408SS*.  trans-69.2105.7166.6-75.5-56.9000109.5W838N836-W838 PolarHBondContact O-N 3.24Å; N836-W838 PolarHBondContact OD1-NE1 2.99Å
837G83.8Confident74.3Confident5 Ų577.9 Ų77.95%0.05241%0.405CS..SBendtrans-7333.517400000114.7Y818 R835Y818-G837 PolarHBondContact N-O 2.71Å; R835-G837 PolarHBondContact O-N 3.01Å; R835-G837 VanDerWaalsContact O-N 3.12Å
838W89.7Confident75.2Confident58 Ų5877.6 Ų77.622%0.2240%0.403CS..EExtended strand (participates in β ladder)trans-157.8154.6-179.763.9-86.8000112R815 V816 Y817 N836 N840R815-W838 HydrophobicContact CG-CE3 3.85Å; R815-W838 HydrophobicContact CG-CZ3 4.11Å; R815-W838 VanDerWaalsContact NE-CZ3 3.3Å; V816-W838 CarbonylContact O-C 3.57Å; V816-W838 WeakPolarHBondContact O-CA 3.26Å; V816-W838 WeakPolarHBondContact O-CB 3.46Å; Y817-W838 HydrophobicContact CD1-CB 3.39Å; Y817-W838 AromaticContact CD1-CG 3.96Å; Y817-W838 HydrophobicContact CD1-CG 3.96Å; Y817-W838 HydrophobicContact CD2-CB 4.48Å; Y817-W838 HydrophobicContact CE1-CB 3.56Å; Y817-W838 AromaticContact CE1-CD1 3.76Å; Y817-W838 HydrophobicContact CE1-CD2 4.46Å; Y817-W838 AromaticContact CE1-CG 3.62Å; Y817-W838 HydrophobicContact CE1-CG 3.62Å; Y817-W838 HydrophobicContact CG-CB 3.86Å; N836-W838 PolarHBondContact O-N 3.24Å; N836-W838 PolarHBondContact OD1-NE1 2.99Å; W838-N840 WeakPolarHBondContact CZ3-OD1 3.48Å
839V91Very high76.8Confident70 Ų7069.5 Ų69.542%0.42437%0.374SS..EExtended strand (participates in β ladder)trans-133.3145-178.6-175.20000108.9R815 V816 Y818R815-V839 WeakPolarHBondContact CA-O 3.25Å; V816-V839 PolarHBondContact N-O 2.9Å; V816-V839 PolarHBondContact O-N 2.82Å; Y818-V839 HydrophobicContact CE2-CG2 4.12Å
840N93.2Very high78.9Confident47 Ų4766.3 Ų66.325%0.25135%0.352SS..EExtended strand (participates in β ladder)trans-79.5144.4169.5-51-77000109.4I814 W838 G842I814-N840 WeakPolarHBondContact O-CA 3.5Å; W838-N840 WeakPolarHBondContact CZ3-OD1 3.48Å; N840-G842 PolarHBondContact O-N 2.86Å
841V91.8Very high81.5Confident6 Ų660.4 Ų60.44%0.03632%0.323CS..SBendtrans-82.8114.7164.7-178.40000107.6I814 V816 L844 L861 Y872 F882I814-V841 HydrophobicContact CB-CB 4.07Å; I814-V841 HydrophobicContact CB-CG2 4.48Å; I814-V841 HydrophobicContact CG2-CB 3.65Å; I814-V841 HydrophobicContact CG2-CG2 3.58Å; I814-V841 PolarHBondContact O-N 2.73Å; V816-V841 HydrophobicContact CG2-CG2 3.64Å; V841-L844 HydrophobicContact CG1-CD1 4.39Å; V841-L844 WeakPolarHBondContact O-CD1 3.42Å; V841-L844 VanDerWaalsContact O-CG 3.31Å; V841-L844 WeakPolarHBondContact O-CG 3.08Å; V841-L861 HydrophobicContact CG1-CD2 4.22Å; V841-L861 HydrophobicContact CG2-CD2 4.11Å; V841-Y872 HydrophobicContact CG1-CD1 3.31Å; V841-Y872 HydrophobicContact CG1-CD2 4.02Å; V841-Y872 HydrophobicContact CG1-CE1 3.44Å; V841-Y872 VanDerWaalsContact CG1-CE1 3.44Å; V841-Y872 HydrophobicContact CG1-CE2 4.15Å; V841-Y872 HydrophobicContact CG1-CG 3.66Å; V841-F882 HydrophobicContact CG1-CB 4.02Å; V841-F882 HydrophobicContact CG2-CB 4.14Å; V841-F882 HydrophobicContact CG2-CD2 4.34Å
842G85.1Confident83.9Confident34 Ų3458.4 Ų58.435%0.35130%0.295SS..THydrogen-bonded Turntrans56.5-157.1-174.300000113.9N840 L844N840-G842 PolarHBondContact O-N 2.86Å; G842-L844 VanDerWaalsContact C-N 3.35Å
843N88.6Confident85.8Confident137 Ų13755.8 Ų55.873%0.73328%0.283SS*.THydrogen-bonded Turntrans-97.816.6171.6-79.6-37.1000113Q845N843-Q845 PolarHBondContact O-NE2 3.13Å
844L89.9Confident87.8Confident15 Ų1557.5 Ų57.58%0.07929%0.288CS..  trans-55.3134.5-172.7-53.5178.3000112.5R813 I814 V841 G842 V863 L865 E870 Y872R813-L844 WeakPolarHBondContact CD-O 2.88Å; R813-L844 WeakPolarHBondContact CG-O 3.47Å; I814-L844 HydrophobicContact CB-CD1 4.43Å; I814-L844 HydrophobicContact CG1-CD1 4.05Å; V841-L844 HydrophobicContact CG1-CD1 4.39Å; V841-L844 WeakPolarHBondContact O-CD1 3.42Å; V841-L844 VanDerWaalsContact O-CG 3.31Å; V841-L844 WeakPolarHBondContact O-CG 3.08Å; G842-L844 VanDerWaalsContact C-N 3.35Å; L844-V863 HydrophobicContact CD1-CG1 4.42Å; L844-V863 HydrophobicContact CD1-CG2 4.42Å; L844-L865 HydrophobicContact CD2-CD1 4.16Å; L844-E870 HydrophobicContact CD2-CB 4.32Å; L844-E870 HydrophobicContact CD2-CG 3.85Å; L844-Y872 HydrophobicContact CD1-CE2 3.85Å; L844-Y872 HydrophobicContact CD2-CE2 4.5Å
845Q92Very high89.1Confident76 Ų7649.4 Ų49.436%0.35525%0.252SS..  trans-142.3154.8178.1-74.9165.9111.200107.8K811 R813 N843 A847K811-Q845 HydrophobicContact CB-CG 4.41Å; R813-Q845 HydrophobicContact CG-CG 3.91Å; R813-Q845 VanDerWaalsContact NE-CG 3.28Å; R813-Q845 VanDerWaalsContact NH2-CD 3.29Å; R813-Q845 VanDerWaalsContact NH2-OE1 3.07Å; N843-Q845 PolarHBondContact O-NE2 3.13Å; Q845-A847 VanDerWaalsContact C-N 3.31Å; Q845-A847 PolarHBondContact O-N 2.78Å
846G94.5Very high90.2Very high11 Ų1150.1 Ų50.111%0.11326%0.258CS..SBendtrans69.426.8-177.400000113.6K811 R812 I848 E866K811-G846 PolarHBondContact O-N 3.35Å; R812-G846 PolarHBondContact O-N 3.4Å; G846-I848 PolarHBondContact O-N 2.84Å; G846-E866 WeakPolarHBondContact CA-OE1 3.41Å
847A96.7Very high90.5Very high0 Ų049.4 Ų49.40%025%0.247CC..EExtended strand (participates in β ladder)trans-67.5119.7178.700000110.7I807 R812 I814 Q845 V863 L865I807-A847 HydrophobicContact CD1-CB 4.11Å; I807-A847 HydrophobicContact CG1-CB 4.02Å; R812-A847 PolarHBondContact NE-O 2.97Å; R812-A847 PolarHBondContact NH2-O 2.91Å; R812-A847 VanDerWaalsContact O-CB 3.27Å; R812-A847 WeakPolarHBondContact O-CB 3.38Å; R812-A847 PolarHBondContact O-N 3.17Å; I814-A847 HydrophobicContact CD1-CB 3.87Å; I814-A847 HydrophobicContact CG1-CB 4.02Å; Q845-A847 VanDerWaalsContact C-N 3.31Å; Q845-A847 PolarHBondContact O-N 2.78Å; A847-V863 HydrophobicContact CB-CG1 4Å; A847-L865 HydrophobicContact CB-CD2 3.9Å
848I95.8Very high90.4Very high36 Ų3651.4 Ų51.419%0.18526%0.255CS..EExtended strand (participates in β ladder)trans-81.7-59.8-178.1-62.7-177.7000109.5I807 R812 G846 G864 E866 L896I807-I848 WeakPolarHBondContact CD1-O 3.49Å; R812-I848 PolarHBondContact NH2-O 2.93Å; G846-I848 PolarHBondContact O-N 2.84Å; I848-G864 PolarHBondContact N-O 2.89Å; I848-E866 HydrophobicContact CD1-CB 4.48Å; I848-E866 HydrophobicContact CD1-CG 4.03Å; I848-E866 HydrophobicContact CG1-CG 4.25Å; I848-L896 WeakPolarHBondContact CG2-O 3.35Å
849H97.2Very high90.5Very high39 Ų3950.2 Ų50.218%0.18125%0.252CS..EExtended strand (participates in β ladder)trans-141.1152.4-176.8-178.7-97.2000110.3Q794 G864 L896 V898Q794-H849 PolarHBondContact NE2-CD2 3.35Å; Q794-H849 PolarHBondContact NE2-NE2 3.17Å; H849-G864 PolarHBondContact O-N 2.67Å; H849-L896 WeakPolarHBondContact CB-O 3.48Å; H849-V898 HydrophobicContact CB-CG2 4.47Å; H849-V898 PolarHBondContact CE1-O 3.02Å; H849-V898 VanDerWaalsContact CE1-O 3.28Å; H849-V898 WeakPolarHBondContact ND1-CG2 3.2Å; H849-V898 PolarHBondContact ND1-N 3.43Å; H849-V898 PolarHBondContact ND1-O 3.29Å
850F97.7Very high90.6Very high1 Ų147.1 Ų47.10%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-135153.5164.377.2-85.7000112.4Q794 T796 V805 I807 I814 I852 L861 V862 V863Q794-F850 HydrophobicContact CB-CD1 4.35Å; Q794-F850 HydrophobicContact CB-CE1 3.91Å; Q794-F850 HydrophobicContact CG-CD1 4.12Å; Q794-F850 HydrophobicContact CG-CE1 3.69Å; Q794-F850 HydrophobicContact CG-CZ 4.35Å; Q794-F850 PolarHBondContact NE2-O 3.04Å; T796-F850 WeakPolarHBondContact OG1-CE2 3.18Å; T796-F850 WeakPolarHBondContact OG1-CZ 3.39Å; V805-F850 HydrophobicContact CB-CE2 4.1Å; V805-F850 HydrophobicContact CB-CZ 4.16Å; V805-F850 HydrophobicContact CG1-CD2 4.29Å; V805-F850 HydrophobicContact CG1-CE2 3.76Å; V805-F850 HydrophobicContact CG1-CZ 3.92Å; I807-F850 HydrophobicContact CD1-CD1 3.86Å; I807-F850 HydrophobicContact CG1-CD1 3.77Å; I807-F850 HydrophobicContact CG1-CE1 4.21Å; I814-F850 HydrophobicContact CD1-CB 4.13Å; I814-F850 HydrophobicContact CD1-CD1 4.06Å; I814-F850 HydrophobicContact CD1-CG 4.28Å; F850-I852 HydrophobicContact CD2-CD1 4.48Å; F850-I852 HydrophobicContact CD2-CG1 4.01Å; F850-I852 HydrophobicContact CE2-CD1 3.97Å; F850-I852 HydrophobicContact CE2-CG1 3.93Å; F850-L861 HydrophobicContact CB-CD1 3.91Å; F850-L861 HydrophobicContact CD2-CD1 3.44Å; F850-L861 VanDerWaalsContact CD2-CD1 3.44Å; F850-L861 HydrophobicContact CE2-CD1 4.3Å; F850-L861 HydrophobicContact CG-CD1 3.98Å; F850-V862 CarbonylContact C-O 3.48Å; F850-V862 WeakPolarHBondContact CA-O 3.39Å; F850-V862 WeakPolarHBondContact CB-O 3.44Å; F850-V863 HydrophobicContact CB-CG2 4.14Å
851K96.7Very high90.8Very high75 Ų7544.9 Ų44.933%0.32622%0.221SC..EExtended strand (participates in β ladder)trans-129142170.5-169.777178.3-65.90109.7V853 L861 V862 V898 D899K851-V853 HydrophobicContact CG-CG2 3.94Å; K851-L861 WeakPolarHBondContact O-CA 3.36Å; K851-V862 PolarHBondContact N-O 3.03Å; K851-V862 PolarHBondContact O-N 2.92Å; K851-V898 WeakPolarHBondContact CB-O 3.12Å; K851-D899 WeakPolarHBondContact CG-OD1 3.24Å; K851-D899 IonicContact NZ-OD1 3.41Å; K851-D899 PolarHBondContact NZ-OD1 2.78Å; K851-D899 IonicContact NZ-OD2 3.29Å; K851-D899 PolarHBondContact NZ-OD2 3.34Å
852I95.5Very high91.1Very high30 Ų3044.6 Ų44.615%0.15422%0.219CC..EExtended strand (participates in β ladder)trans-107.4113.1171.1-56.5-179.2000108T796 L798 V805 F850 K859 F860 L861 F882T796-I852 HydrophobicContact CG2-CD1 4.16Å; L798-I852 HydrophobicContact CD1-CD1 4.01Å; L798-I852 HydrophobicContact CD1-CG2 4.36Å; L798-I852 HydrophobicContact CD2-CD1 4.42Å; L798-I852 HydrophobicContact CD2-CG2 4.37Å; L798-I852 HydrophobicContact CG-CD1 4.26Å; V805-I852 HydrophobicContact CB-CD1 4.02Å; V805-I852 HydrophobicContact CG1-CD1 4.4Å; V805-I852 HydrophobicContact CG2-CD1 3.75Å; F850-I852 HydrophobicContact CD2-CD1 4.48Å; F850-I852 HydrophobicContact CD2-CG1 4.01Å; F850-I852 HydrophobicContact CE2-CD1 3.97Å; F850-I852 HydrophobicContact CE2-CG1 3.93Å; I852-K859 HydrophobicContact CG2-CB 4.27Å; I852-F860 CarbonylContact C-O 3.53Å; I852-F860 VanDerWaalsContact CA-O 3.27Å; I852-F860 WeakPolarHBondContact CA-O 3.22Å; I852-L861 HydrophobicContact CG1-CD1 3.97Å; I852-F882 HydrophobicContact CD1-CZ 4.41Å
853V92.5Very high91.6Very high24 Ų2443 Ų4315%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-107.3123.1179.4-178.60000108.6K851 K859 F860 L900K851-V853 HydrophobicContact CG-CG2 3.94Å; V853-K859 CarbonylContact O-C 3.38Å; V853-K859 WeakPolarHBondContact O-CA 2.95Å; V853-F860 PolarHBondContact N-O 2.88Å; V853-F860 PolarHBondContact O-N 2.71Å; V853-L900 HydrophobicContact CB-CD2 4.26Å; V853-L900 HydrophobicContact CG1-CD2 3.89Å; V853-L900 HydrophobicContact CG2-CB 4.06Å
854K88.8Confident92Very high149 Ų14936.5 Ų36.565%0.64817%0.168SC*.EExtended strand (participates in β ladder)trans-95107.9175.6-179.2-147162.2-159.20108.7E856 K859K854-E856 WeakPolarHBondContact CE-O 3.44Å; K854-K859 HydrophobicContact CB-CG 4.3Å; K854-K859 HydrophobicContact CG-CG 4.21Å
855Y81.6Confident92.3Very high46 Ų4636.9 Ų36.918%0.1817%0.17CC..EExtended strand (participates in β ladder)trans-105.7121167.8-178.5-119.2000109.2L542 L545 R857 I858 V902 A906L542-Y855 HydrophobicContact CD1-CD1 4.22Å; L542-Y855 HydrophobicContact CD1-CE1 3.99Å; L545-Y855 HydrophobicContact CD2-CD1 4.47Å; L545-Y855 HydrophobicContact CD2-CE1 3.72Å; Y855-R857 PolarHBondContact O-N 3.02Å; Y855-I858 PolarHBondContact N-O 2.54Å; Y855-I858 CarbonylContact O-C 3.55Å; Y855-I858 PolarHBondContact O-N 2.83Å; Y855-V902 HydrophobicContact CD2-CB 4.11Å; Y855-V902 HydrophobicContact CD2-CG1 3.98Å; Y855-V902 HydrophobicContact CD2-CG2 3.76Å; Y855-V902 HydrophobicContact CE1-CG1 4.45Å; Y855-V902 HydrophobicContact CE2-CB 4.22Å; Y855-V902 HydrophobicContact CE2-CG1 3.65Å; Y855-V902 HydrophobicContact CE2-CG2 4.32Å; Y855-V902 HydrophobicContact CG-CG2 3.94Å; Y855-A906 WeakPolarHBondContact OH-CB 3.46Å
856E81.2Confident92.2Very high76 Ų7638.5 Ų38.536%0.35518%0.177SC..THydrogen-bonded Turntrans44.9-101.9-173.1-62-159-168.400115.6L542 K854L542-E856 HydrophobicContact CD1-CB 4.15Å; L542-E856 HydrophobicContact CD1-CG 4.41Å; K854-E856 WeakPolarHBondContact CE-O 3.44Å
857R77.2Confident92Very high103 Ų10342 Ų4239%0.38920%0.2SC..THydrogen-bonded Turntrans-100.7-23-179.4-56-177.1-165.8-165.23.8111.7N185 L542 Y855N185-R857 PolarHBondContact OD1-NH1 3.44Å; L542-R857 HydrophobicContact CD2-CB 4.26Å; Y855-R857 PolarHBondContact O-N 3.02Å
858I81.7Confident91.9Very high46 Ų4642.7 Ų42.724%0.23621%0.205CC..EExtended strand (participates in β ladder)trans-81155-179.6-63.5167.7000110.2L542 Y855 F860 A873L542-I858 HydrophobicContact CD1-CD1 4.15Å; L542-I858 HydrophobicContact CD2-CD1 4.01Å; L542-I858 HydrophobicContact CD2-CG1 4.19Å; L542-I858 HydrophobicContact CG-CD1 4.01Å; Y855-I858 PolarHBondContact N-O 2.54Å; Y855-I858 CarbonylContact O-C 3.55Å; Y855-I858 PolarHBondContact O-N 2.83Å; I858-F860 HydrophobicContact CB-CE2 4.37Å; I858-F860 HydrophobicContact CG2-CD1 4.26Å; I858-F860 HydrophobicContact CG2-CD2 4.05Å; I858-F860 HydrophobicContact CG2-CE1 3.95Å; I858-F860 HydrophobicContact CG2-CE2 3.72Å; I858-F860 HydrophobicContact CG2-CG 4.32Å; I858-F860 HydrophobicContact CG2-CZ 3.67Å; I858-A873 HydrophobicContact CG2-CB 4.34Å
859K91.6Very high91.9Very high33 Ų3341 Ų4114%0.14320%0.196CC..EExtended strand (participates in β ladder)trans-127.5112.9166.4-60.3178.9-170.570.30108.3L798 Q801 I852 V853 K854 W874L798-K859 HydrophobicContact CD1-CD 4.18Å; Q801-K859 VanDerWaalsContact OE1-NZ 3.16Å; I852-K859 HydrophobicContact CG2-CB 4.27Å; V853-K859 CarbonylContact O-C 3.38Å; V853-K859 WeakPolarHBondContact O-CA 2.95Å; K854-K859 HydrophobicContact CB-CG 4.3Å; K854-K859 HydrophobicContact CG-CG 4.21Å; K859-W874 HydrophobicContact CB-CB 3.9Å; K859-W874 WeakPolarHBondContact O-CB 3.42Å; K859-W874 PolarHBondContact O-N 2.97Å
860F94.1Very high91.8Very high6 Ų640.6 Ų40.63%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-82.1140.5170.7-62.8-75.5000109.3I852 V853 I858 I871 Y872 A873 F885 L908I852-F860 CarbonylContact C-O 3.53Å; I852-F860 VanDerWaalsContact CA-O 3.27Å; I852-F860 WeakPolarHBondContact CA-O 3.22Å; V853-F860 PolarHBondContact N-O 2.88Å; V853-F860 PolarHBondContact O-N 2.71Å; I858-F860 HydrophobicContact CB-CE2 4.37Å; I858-F860 HydrophobicContact CG2-CD1 4.26Å; I858-F860 HydrophobicContact CG2-CD2 4.05Å; I858-F860 HydrophobicContact CG2-CE1 3.95Å; I858-F860 HydrophobicContact CG2-CE2 3.72Å; I858-F860 HydrophobicContact CG2-CG 4.32Å; I858-F860 HydrophobicContact CG2-CZ 3.67Å; F860-I871 HydrophobicContact CD1-CG2 4.1Å; F860-Y872 CarbonylContact C-O 3.55Å; F860-Y872 VanDerWaalsContact CA-O 3.3Å; F860-Y872 WeakPolarHBondContact CA-O 3.32Å; F860-A873 HydrophobicContact CD1-CB 4.2Å; F860-A873 HydrophobicContact CE1-CB 4.17Å; F860-F885 HydrophobicContact CD1-CD1 4.44Å; F860-F885 HydrophobicContact CE1-CD1 4.09Å; F860-F885 HydrophobicContact CE1-CD2 4.27Å; F860-F885 AromaticContact CE1-CE1 3.92Å; F860-F885 HydrophobicContact CE1-CE1 3.92Å; F860-F885 HydrophobicContact CE1-CE2 4.11Å; F860-F885 HydrophobicContact CE1-CG 4.26Å; F860-F885 AromaticContact CE1-CZ 3.93Å; F860-F885 HydrophobicContact CE1-CZ 3.93Å; F860-F885 HydrophobicContact CZ-CZ 4.44Å; F860-L908 HydrophobicContact CE2-CD1 4.34Å; F860-L908 HydrophobicContact CZ-CD1 4.08Å
861L96.8Very high91.7Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-116.7104.2171164.261.9000105.9V805 I814 V841 F850 K851 I852 V863 Y872 F882V805-L861 HydrophobicContact CG1-CD1 4.39Å; V805-L861 HydrophobicContact CG1-CD2 4.39Å; I814-L861 HydrophobicContact CG2-CD2 4.27Å; V841-L861 HydrophobicContact CG1-CD2 4.22Å; V841-L861 HydrophobicContact CG2-CD2 4.11Å; F850-L861 HydrophobicContact CB-CD1 3.91Å; F850-L861 HydrophobicContact CD2-CD1 3.44Å; F850-L861 VanDerWaalsContact CD2-CD1 3.44Å; F850-L861 HydrophobicContact CE2-CD1 4.3Å; F850-L861 HydrophobicContact CG-CD1 3.98Å; K851-L861 WeakPolarHBondContact O-CA 3.36Å; I852-L861 HydrophobicContact CG1-CD1 3.97Å; L861-V863 HydrophobicContact CD1-CG2 4Å; L861-V863 HydrophobicContact CG-CG2 3.93Å; L861-Y872 PolarHBondContact N-O 3.08Å; L861-Y872 PolarHBondContact O-N 3.09Å; L861-F882 HydrophobicContact CB-CD1 3.56Å; L861-F882 HydrophobicContact CB-CE1 3.47Å; L861-F882 VanDerWaalsContact CB-CE1 3.47Å; L861-F882 HydrophobicContact CB-CG 4.23Å; L861-F882 HydrophobicContact CB-CZ 4.08Å; L861-F882 HydrophobicContact CD2-CB 4.16Å; L861-F882 HydrophobicContact CD2-CD1 3.87Å; L861-F882 HydrophobicContact CD2-CD2 3.73Å; L861-F882 HydrophobicContact CD2-CE1 4.18Å; L861-F882 HydrophobicContact CD2-CE2 4.05Å; L861-F882 HydrophobicContact CD2-CG 3.63Å; L861-F882 HydrophobicContact CD2-CZ 4.27Å; L861-F882 HydrophobicContact CG-CD1 4.38Å; L861-F882 HydrophobicContact CG-CE1 4.46Å
862V97.1Very high91.6Very high0 Ų037.9 Ų37.90%018%0.182CC..EExtended strand (participates in β ladder)trans-95129.1177.6-174.70000107.6F850 K851 I869 I871 V898 L900 V910F850-V862 CarbonylContact C-O 3.48Å; F850-V862 WeakPolarHBondContact CA-O 3.39Å; F850-V862 WeakPolarHBondContact CB-O 3.44Å; K851-V862 PolarHBondContact N-O 3.03Å; K851-V862 PolarHBondContact O-N 2.92Å; V862-I869 HydrophobicContact CG1-CG2 3.77Å; V862-I871 HydrophobicContact CG2-CG2 4.47Å; V862-V898 HydrophobicContact CG1-CB 4.02Å; V862-V898 HydrophobicContact CG1-CG2 4.06Å; V862-L900 HydrophobicContact CG2-CB 3.78Å; V862-L900 HydrophobicContact CG2-CD1 4.07Å; V862-V910 HydrophobicContact CG1-CG2 4.03Å
863V97.6Very high91.5Very high0 Ų037.5 Ų37.50%018%0.183CC..EExtended strand (participates in β ladder)trans-127.2120.9-175.2-174.10000109.3I814 L844 A847 F850 L861 L865 I869 E870I814-V863 HydrophobicContact CD1-CG1 3.81Å; I814-V863 HydrophobicContact CD1-CG2 4.14Å; I814-V863 HydrophobicContact CG1-CG1 3.81Å; I814-V863 HydrophobicContact CG1-CG2 4.09Å; L844-V863 HydrophobicContact CD1-CG1 4.42Å; L844-V863 HydrophobicContact CD1-CG2 4.42Å; A847-V863 HydrophobicContact CB-CG1 4Å; F850-V863 HydrophobicContact CB-CG2 4.14Å; L861-V863 HydrophobicContact CD1-CG2 4Å; L861-V863 HydrophobicContact CG-CG2 3.93Å; V863-L865 HydrophobicContact CG1-CD2 3.84Å; V863-I869 WeakPolarHBondContact O-CA 3.44Å; V863-E870 HydrophobicContact CB-CB 4.31Å; V863-E870 PolarHBondContact N-O 2.91Å; V863-E870 PolarHBondContact O-N 3.06Å
864G96.9Very high91.5Very high0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-85126.216700000110.4I848 H849I848-G864 PolarHBondContact N-O 2.89Å; H849-G864 PolarHBondContact O-N 2.67Å
865L95.6Very high91.3Very high23 Ų2330.6 Ų30.612%0.1215%0.152CC..EExtended strand (participates in β ladder)trans-106.9169.1165.8-50.4-170.7000109.2L844 A847 V863 S867 S868 E870 P895L844-L865 HydrophobicContact CD2-CD1 4.16Å; A847-L865 HydrophobicContact CB-CD2 3.9Å; V863-L865 HydrophobicContact CG1-CD2 3.84Å; L865-S867 PolarHBondContact O-N 3.11Å; L865-S868 PolarHBondContact N-O 3.18Å; L865-S868 PolarHBondContact O-N 3.37Å; L865-E870 HydrophobicContact CD1-CG 4.22Å; L865-P895 VanDerWaalsContact O-CG 3.26Å; L865-P895 WeakPolarHBondContact O-CG 3.46Å
866E90.4Very high91.1Very high111 Ų11131 Ų3152%0.51916%0.16SC..THydrogen-bonded Turntrans-50.3-28.6-178.6-69.7155.7-159.600115.2G846 I848G846-E866 WeakPolarHBondContact CA-OE1 3.41Å; I848-E866 HydrophobicContact CD1-CB 4.48Å; I848-E866 HydrophobicContact CD1-CG 4.03Å; I848-E866 HydrophobicContact CG1-CG 4.25Å
867S89.2Confident90.1Very high83 Ų8334.4 Ų34.458%0.5817%0.173SC*.THydrogen-bonded Turntrans-140.215.8178.176.40000114.7L865L865-S867 PolarHBondContact O-N 3.11Å
868S94.6Very high88.9Confident15 Ų1531.2 Ų31.211%0.10517%0.166CC..EExtended strand (participates in β ladder)trans-157.7159.6-176.868.40000113.6L865 F888L865-S868 PolarHBondContact N-O 3.18Å; L865-S868 PolarHBondContact O-N 3.37Å; S868-F888 CarbonylContact C-O 3.59Å; S868-F888 WeakPolarHBondContact CA-O 3.38Å; S868-F888 WeakPolarHBondContact CB-O 3.29Å
869I96.5Very high88.1Confident0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-115.8131.1168.7-65.6171000109.8V862 V863 S887 F888 L891 P895 V898 V910 Y912 I921V862-I869 HydrophobicContact CG1-CG2 3.77Å; V863-I869 WeakPolarHBondContact O-CA 3.44Å; I869-S887 WeakPolarHBondContact O-CA 2.97Å; I869-F888 PolarHBondContact N-O 3.26Å; I869-F888 PolarHBondContact O-N 2.8Å; I869-L891 HydrophobicContact CD1-CD1 4.22Å; I869-L891 HydrophobicContact CG1-CD1 3.94Å; I869-P895 HydrophobicContact CD1-CB 4.03Å; I869-P895 HydrophobicContact CD1-CG 4.41Å; I869-P895 HydrophobicContact CG1-CB 4.08Å; I869-P895 HydrophobicContact CG1-CG 3.96Å; I869-V898 HydrophobicContact CD1-CG1 3.86Å; I869-V898 HydrophobicContact CG1-CG1 4.04Å; I869-V910 HydrophobicContact CD1-CG1 3.73Å; I869-V910 HydrophobicContact CG2-CG1 4.19Å; I869-V910 HydrophobicContact CG2-CG2 4.4Å; I869-Y912 HydrophobicContact CD1-CD1 3.7Å; I869-Y912 HydrophobicContact CD1-CD2 4.45Å; I869-Y912 HydrophobicContact CD1-CE1 4.37Å; I869-Y912 HydrophobicContact CD1-CG 3.75Å; I869-I921 HydrophobicContact CD1-CD1 4.15Å
870E95.4Very high87.5Confident32 Ų3232.3 Ų32.315%0.1517%0.169CC..EExtended strand (participates in β ladder)trans-121.1119.7-173.8-79.7-81.4145.500109.4L844 V863 L865 Y872 S887L844-E870 HydrophobicContact CD2-CB 4.32Å; L844-E870 HydrophobicContact CD2-CG 3.85Å; V863-E870 HydrophobicContact CB-CB 4.31Å; V863-E870 PolarHBondContact N-O 2.91Å; V863-E870 PolarHBondContact O-N 3.06Å; L865-E870 HydrophobicContact CD1-CG 4.22Å; E870-Y872 HydrophobicContact CB-CE2 4.1Å; E870-Y872 PolarHBondContact OE2-OH 2.82Å; E870-S887 WeakPolarHBondContact OE1-CB 3.47Å; E870-S887 PolarHBondContact OE1-OG 3.41Å
871I95.1Very high87.2Confident0 Ų036.2 Ų36.20%019%0.186CC..EExtended strand (participates in β ladder)trans-106.9131.9179.4-50.5-179.7000109.6F860 V862 F885 K886 F888 L900 V910 L923F860-I871 HydrophobicContact CD1-CG2 4.1Å; V862-I871 HydrophobicContact CG2-CG2 4.47Å; I871-F885 HydrophobicContact CB-CB 4.43Å; I871-F885 HydrophobicContact CB-CD1 4.37Å; I871-F885 HydrophobicContact CG2-CB 4.17Å; I871-F885 HydrophobicContact CG2-CD1 3.87Å; I871-F885 HydrophobicContact CG2-CG 4.42Å; I871-F885 WeakPolarHBondContact O-CA 3.18Å; I871-F885 WeakPolarHBondContact O-CB 3.35Å; I871-F885 PolarHBondContact O-N 2.98Å; I871-K886 PolarHBondContact N-O 2.91Å; I871-K886 PolarHBondContact O-N 3.42Å; I871-F888 HydrophobicContact CD1-CE2 3.95Å; I871-L900 HydrophobicContact CD1-CD1 4.49Å; I871-V910 HydrophobicContact CD1-CG2 3.6Å; I871-V910 HydrophobicContact CG1-CG2 4.26Å; I871-L923 HydrophobicContact CD1-CD1 4.25Å; I871-L923 HydrophobicContact CD1-CD2 3.79Å; I871-L923 HydrophobicContact CD1-CG 4.24Å
872Y95.1Very high87Confident19 Ų1936.8 Ų36.88%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-122.2145.2172.4-70-112000110.4V841 L844 F860 L861 E870 F882 M883 A884V841-Y872 HydrophobicContact CG1-CD1 3.31Å; V841-Y872 HydrophobicContact CG1-CD2 4.02Å; V841-Y872 HydrophobicContact CG1-CE1 3.44Å; V841-Y872 VanDerWaalsContact CG1-CE1 3.44Å; V841-Y872 HydrophobicContact CG1-CE2 4.15Å; V841-Y872 HydrophobicContact CG1-CG 3.66Å; L844-Y872 HydrophobicContact CD1-CE2 3.85Å; L844-Y872 HydrophobicContact CD2-CE2 4.5Å; F860-Y872 CarbonylContact C-O 3.55Å; F860-Y872 VanDerWaalsContact CA-O 3.3Å; F860-Y872 WeakPolarHBondContact CA-O 3.32Å; L861-Y872 PolarHBondContact N-O 3.08Å; L861-Y872 PolarHBondContact O-N 3.09Å; E870-Y872 HydrophobicContact CB-CE2 4.1Å; E870-Y872 PolarHBondContact OE2-OH 2.82Å; Y872-F882 HydrophobicContact CD1-CB 4.31Å; Y872-F882 HydrophobicContact CG-CB 4.49Å; Y872-M883 CarbonylContact C-O 3.56Å; Y872-M883 WeakPolarHBondContact CA-O 3.23Å; Y872-M883 WeakPolarHBondContact CB-O 3.49Å; Y872-A884 HydrophobicContact CD1-CB 4.2Å; Y872-A884 VanDerWaalsContact CD1-N 3.27Å; Y872-A884 HydrophobicContact CE1-CB 3.79Å
873A93.6Very high86.5Confident21 Ų2139.1 Ų39.117%0.17420%0.2CC..EExtended strand (participates in β ladder)trans-104.5142.3170.800000110.7I858 F860 A875 F882 M883 F885I858-A873 HydrophobicContact CG2-CB 4.34Å; F860-A873 HydrophobicContact CD1-CB 4.2Å; F860-A873 HydrophobicContact CE1-CB 4.17Å; A873-A875 PolarHBondContact O-N 2.88Å; A873-F882 WeakPolarHBondContact O-CA 3.17Å; A873-M883 PolarHBondContact N-O 3.32Å; A873-M883 PolarHBondContact O-N 3.13Å; A873-F885 HydrophobicContact CB-CB 4.44Å; A873-F885 HydrophobicContact CB-CD2 4.24Å
874W91.9Very high86.2Confident23 Ų2342.4 Ų42.49%0.08723%0.227CC..EExtended strand (participates in β ladder)trans-72.9112.3172.9179.2-93.7000110.9Q801 I803 K859 H880 F882Q801-W874 HydrophobicContact CB-CH2 4.19Å; Q801-W874 HydrophobicContact CB-CZ2 3.88Å; Q801-W874 HydrophobicContact CG-CD2 4.08Å; Q801-W874 VanDerWaalsContact CG-CE2 3.44Å; Q801-W874 HydrophobicContact CG-CH2 4.2Å; Q801-W874 HydrophobicContact CG-CZ2 3.51Å; I803-W874 HydrophobicContact CD1-CE3 4.13Å; I803-W874 HydrophobicContact CD1-CH2 3.59Å; I803-W874 HydrophobicContact CD1-CZ3 3.31Å; K859-W874 HydrophobicContact CB-CB 3.9Å; K859-W874 WeakPolarHBondContact O-CB 3.42Å; K859-W874 PolarHBondContact O-N 2.97Å; W874-H880 AromaticContact CH2-CD2 3.73Å; W874-H880 WeakPolarHBondContact CH2-O 3.49Å; W874-H880 VanDerWaalsContact CZ2-C 3.43Å; W874-H880 HydrophobicContact CZ2-CB 4.28Å; W874-H880 AromaticContact CZ2-CD2 3.67Å; W874-H880 AromaticContact CZ2-CE1 3.84Å; W874-H880 AromaticContact CZ2-CG 3.69Å; W874-H880 AromaticContact CZ2-ND1 3.81Å; W874-H880 AromaticContact CZ2-NE2 3.75Å; W874-F882 HydrophobicContact CB-CD1 4.18Å; W874-F882 HydrophobicContact CB-CE1 3.86Å; W874-F882 HydrophobicContact CB-CZ 4.48Å; W874-F882 HydrophobicContact CE3-CD1 4.14Å; W874-F882 AromaticContact CE3-CD2 3.73Å; W874-F882 HydrophobicContact CE3-CD2 3.73Å; W874-F882 HydrophobicContact CE3-CE1 4Å; W874-F882 AromaticContact CE3-CE2 3.57Å; W874-F882 HydrophobicContact CE3-CE2 3.57Å; W874-F882 HydrophobicContact CE3-CG 4.01Å; W874-F882 AromaticContact CE3-CZ 3.72Å; W874-F882 HydrophobicContact CE3-CZ 3.72Å; W874-F882 AromaticContact CZ3-CD2 3.94Å; W874-F882 HydrophobicContact CZ3-CD2 3.94Å; W874-F882 AromaticContact CZ3-CE2 3.87Å; W874-F882 HydrophobicContact CZ3-CE2 3.87Å; W874-F882 HydrophobicContact CZ3-CZ 4.44Å
875A84.6Confident85.8Confident6 Ų645.8 Ų45.85%0.0524%0.242CC..EExtended strand (participates in β ladder)trans-81.6138.3174.600000110.9A873 Y879 H880 K881 M883A873-A875 PolarHBondContact O-N 2.88Å; A875-Y879 HydrophobicContact CB-CD2 4.02Å; A875-Y879 HydrophobicContact CB-CG 4.24Å; A875-H880 PolarHBondContact O-N 2.84Å; A875-K881 PolarHBondContact N-O 2.84Å; A875-M883 HydrophobicContact CB-CG 3.81Å
876P78.2Confident85.5Confident54 Ų5446.8 Ų46.835%0.35125%0.245SC..  trans-66.2-177.8178.529.3-35.9000112.2Y879 H880P876-Y879 PolarHBondContact O-N 3.2Å; P876-H880 PolarHBondContact O-N 3.47Å
877K59.2Low85.6Confident147 Ų14744.5 Ų44.564%0.63924%0.242SC*.THydrogen-bonded Turntrans-56.8137.8166.4-68.9-177.4-179.6178.20108.7
878P52.2Low85.8Confident37 Ų3741.3 Ų41.324%0.2422%0.218CC..THydrogen-bonded Turncis-84.7-21.612.433.3-29.2000113.8P191 Y192 H880P191-P878 HydrophobicContact CB-CB 3.83Å; P191-P878 HydrophobicContact CB-CG 3.58Å; Y192-P878 WeakPolarHBondContact O-CB 3.41Å; P878-H880 VanDerWaalsContact C-N 3.34Å; P878-H880 PolarHBondContact O-N 2.8Å
879Y65Low85.5Confident50 Ų5043.1 Ų43.120%0.19624%0.239CC..THydrogen-bonded Turntrans-60.6-42.5-168.3-49.4-57.9000112.5H255 P256 A875 P876 K881H255-Y879 AromaticContact NE2-CD1 3.78Å; P256-Y879 HydrophobicContact CB-CE1 4.1Å; P256-Y879 HydrophobicContact CB-CE2 4.29Å; P256-Y879 WeakPolarHBondContact CB-OH 3.46Å; P256-Y879 HydrophobicContact CG-CE1 3.55Å; P256-Y879 VanDerWaalsContact CG-OH 3.25Å; P256-Y879 WeakPolarHBondContact CG-OH 3.48Å; A875-Y879 HydrophobicContact CB-CD2 4.02Å; A875-Y879 HydrophobicContact CB-CG 4.24Å; P876-Y879 PolarHBondContact O-N 3.2Å; Y879-K881 WeakPolarHBondContact O-CB 3.16Å; Y879-K881 WeakPolarHBondContact O-CD 3.35Å; Y879-K881 VanDerWaalsContact O-CG 3.28Å; Y879-K881 WeakPolarHBondContact O-CG 3.01Å; Y879-K881 PolarHBondContact O-N 2.81Å
880H79.1Confident84.8Confident51 Ų5151.7 Ų51.724%0.23628%0.279CS..  trans44.245.2172.8-156.589.1000112.4Q801 W874 A875 P876 P878Q801-H880 PolarHBondContact O-CE1 2.73Å; Q801-H880 PolarHBondContact O-NE2 3.27Å; W874-H880 AromaticContact CH2-CD2 3.73Å; W874-H880 WeakPolarHBondContact CH2-O 3.49Å; W874-H880 VanDerWaalsContact CZ2-C 3.43Å; W874-H880 HydrophobicContact CZ2-CB 4.28Å; W874-H880 AromaticContact CZ2-CD2 3.67Å; W874-H880 AromaticContact CZ2-CE1 3.84Å; W874-H880 AromaticContact CZ2-CG 3.69Å; W874-H880 AromaticContact CZ2-ND1 3.81Å; W874-H880 AromaticContact CZ2-NE2 3.75Å; A875-H880 PolarHBondContact O-N 2.84Å; P876-H880 PolarHBondContact O-N 3.47Å; P878-H880 VanDerWaalsContact C-N 3.34Å; P878-H880 PolarHBondContact O-N 2.8Å
881K88.1Confident84.5Confident89 Ų8951.7 Ų51.739%0.38728%0.279SS..EExtended strand (participates in β ladder)trans-155161.6-172.172.5-165.9-176.6-173.40110.7A875 Y879 M883A875-K881 PolarHBondContact N-O 2.84Å; Y879-K881 WeakPolarHBondContact O-CB 3.16Å; Y879-K881 WeakPolarHBondContact O-CD 3.35Å; Y879-K881 VanDerWaalsContact O-CG 3.28Å; Y879-K881 WeakPolarHBondContact O-CG 3.01Å; Y879-K881 PolarHBondContact O-N 2.81Å; K881-M883 HydrophobicContact CD-SD 4.33Å; K881-M883 WeakPolarHBondContact CE-SD 3.33Å; K881-M883 HydrophobicContact CG-SD 4.22Å
882F91.4Very high84.2Confident12 Ų1255.4 Ų55.45%0.05331%0.305CS..EExtended strand (participates in β ladder)trans-77132.2170.3-74.1-75.4000111.1L798 I803 V805 V816 V841 I852 L861 Y872 A873 W874L798-F882 HydrophobicContact CD1-CZ 4.09Å; I803-F882 HydrophobicContact CD1-CE2 4.07Å; V805-F882 HydrophobicContact CG2-CE2 3.75Å; V805-F882 HydrophobicContact CG2-CZ 4.44Å; V816-F882 HydrophobicContact CG2-CD2 4.06Å; V841-F882 HydrophobicContact CG1-CB 4.02Å; V841-F882 HydrophobicContact CG2-CB 4.14Å; V841-F882 HydrophobicContact CG2-CD2 4.34Å; I852-F882 HydrophobicContact CD1-CZ 4.41Å; L861-F882 HydrophobicContact CB-CD1 3.56Å; L861-F882 HydrophobicContact CB-CE1 3.47Å; L861-F882 VanDerWaalsContact CB-CE1 3.47Å; L861-F882 HydrophobicContact CB-CG 4.23Å; L861-F882 HydrophobicContact CB-CZ 4.08Å; L861-F882 HydrophobicContact CD2-CB 4.16Å; L861-F882 HydrophobicContact CD2-CD1 3.87Å; L861-F882 HydrophobicContact CD2-CD2 3.73Å; L861-F882 HydrophobicContact CD2-CE1 4.18Å; L861-F882 HydrophobicContact CD2-CE2 4.05Å; L861-F882 HydrophobicContact CD2-CG 3.63Å; L861-F882 HydrophobicContact CD2-CZ 4.27Å; L861-F882 HydrophobicContact CG-CD1 4.38Å; L861-F882 HydrophobicContact CG-CE1 4.46Å; Y872-F882 HydrophobicContact CD1-CB 4.31Å; Y872-F882 HydrophobicContact CG-CB 4.49Å; A873-F882 WeakPolarHBondContact O-CA 3.17Å; W874-F882 HydrophobicContact CB-CD1 4.18Å; W874-F882 HydrophobicContact CB-CE1 3.86Å; W874-F882 HydrophobicContact CB-CZ 4.48Å; W874-F882 HydrophobicContact CE3-CD1 4.14Å; W874-F882 AromaticContact CE3-CD2 3.73Å; W874-F882 HydrophobicContact CE3-CD2 3.73Å; W874-F882 HydrophobicContact CE3-CE1 4Å; W874-F882 AromaticContact CE3-CE2 3.57Å; W874-F882 HydrophobicContact CE3-CE2 3.57Å; W874-F882 HydrophobicContact CE3-CG 4.01Å; W874-F882 AromaticContact CE3-CZ 3.72Å; W874-F882 HydrophobicContact CE3-CZ 3.72Å; W874-F882 AromaticContact CZ3-CD2 3.94Å; W874-F882 HydrophobicContact CZ3-CD2 3.94Å; W874-F882 AromaticContact CZ3-CE2 3.87Å; W874-F882 HydrophobicContact CZ3-CE2 3.87Å; W874-F882 HydrophobicContact CZ3-CZ 4.44Å
883M87.9Confident84Confident48 Ų4856.2 Ų56.224%0.23631%0.309CS..EExtended strand (participates in β ladder)trans-117138.6179.8-74.5-55.9-51.700110.4H255 Y872 A873 A875 K881H255-M883 HydrophobicContact CB-CE 4.49Å; H255-M883 VanDerWaalsContact CE1-SD 3.59Å; H255-M883 PolarHBondContact NE2-SD 3.34Å; Y872-M883 CarbonylContact C-O 3.56Å; Y872-M883 WeakPolarHBondContact CA-O 3.23Å; Y872-M883 WeakPolarHBondContact CB-O 3.49Å; A873-M883 PolarHBondContact N-O 3.32Å; A873-M883 PolarHBondContact O-N 3.13Å; A875-M883 HydrophobicContact CB-CG 3.81Å; K881-M883 HydrophobicContact CD-SD 4.33Å; K881-M883 WeakPolarHBondContact CE-SD 3.33Å; K881-M883 HydrophobicContact CG-SD 4.22Å
884A90.4Very high84Confident69 Ų6961.1 Ų61.157%0.5733%0.329SS*.EExtended strand (participates in β ladder)trans-59.6139.6179.700000111.1Y872Y872-A884 HydrophobicContact CD1-CB 4.2Å; Y872-A884 VanDerWaalsContact CD1-N 3.27Å; Y872-A884 HydrophobicContact CE1-CB 3.79Å
885F88.3Confident84.2Confident72 Ų7260 Ų6032%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-123.5-57-173.8-175.9-102.9000111.8L549 F860 I871 A873 L923L549-F885 HydrophobicContact CB-CZ 4.36Å; L549-F885 HydrophobicContact CD1-CZ 4Å; F860-F885 HydrophobicContact CD1-CD1 4.44Å; F860-F885 HydrophobicContact CE1-CD1 4.09Å; F860-F885 HydrophobicContact CE1-CD2 4.27Å; F860-F885 AromaticContact CE1-CE1 3.92Å; F860-F885 HydrophobicContact CE1-CE1 3.92Å; F860-F885 HydrophobicContact CE1-CE2 4.11Å; F860-F885 HydrophobicContact CE1-CG 4.26Å; F860-F885 AromaticContact CE1-CZ 3.93Å; F860-F885 HydrophobicContact CE1-CZ 3.93Å; F860-F885 HydrophobicContact CZ-CZ 4.44Å; I871-F885 HydrophobicContact CB-CB 4.43Å; I871-F885 HydrophobicContact CB-CD1 4.37Å; I871-F885 HydrophobicContact CG2-CB 4.17Å; I871-F885 HydrophobicContact CG2-CD1 3.87Å; I871-F885 HydrophobicContact CG2-CG 4.42Å; I871-F885 WeakPolarHBondContact O-CA 3.18Å; I871-F885 WeakPolarHBondContact O-CB 3.35Å; I871-F885 PolarHBondContact O-N 2.98Å; A873-F885 HydrophobicContact CB-CB 4.44Å; A873-F885 HydrophobicContact CB-CD2 4.24Å; F885-L923 HydrophobicContact CE1-CD2 4.09Å
886K89.9Confident84.7Confident43 Ų4362.9 Ų62.919%0.18734%0.339CS..EExtended strand (participates in β ladder)trans-151.3152.4174.7-162.7158.2-176.7166.30110.3I871 F888 L923I871-K886 PolarHBondContact N-O 2.91Å; I871-K886 PolarHBondContact O-N 3.42Å; K886-F888 HydrophobicContact CB-CE2 4.38Å; K886-F888 HydrophobicContact CD-CE1 4.31Å; K886-F888 HydrophobicContact CD-CE2 4.27Å; K886-F888 HydrophobicContact CD-CZ 3.69Å; K886-F888 HydrophobicContact CG-CE1 4.42Å; K886-F888 HydrophobicContact CG-CE2 3.98Å; K886-F888 HydrophobicContact CG-CZ 3.83Å; K886-L923 PolarHBondContact NZ-O 3.13Å
887S91.8Very high85.6Confident64 Ų6461.3 Ų61.345%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-134.3142.5179.61770000110I869 E870I869-S887 WeakPolarHBondContact O-CA 2.97Å; E870-S887 WeakPolarHBondContact OE1-CB 3.47Å; E870-S887 PolarHBondContact OE1-OG 3.41Å
888F93.2Very high87.4Confident16 Ų1654.5 Ų54.57%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-129.495.8-179.7-59.4-82.7000109S868 I869 I871 K886 L891 I921 L923 A926S868-F888 CarbonylContact C-O 3.59Å; S868-F888 WeakPolarHBondContact CA-O 3.38Å; S868-F888 WeakPolarHBondContact CB-O 3.29Å; I869-F888 PolarHBondContact N-O 3.26Å; I869-F888 PolarHBondContact O-N 2.8Å; I871-F888 HydrophobicContact CD1-CE2 3.95Å; K886-F888 HydrophobicContact CB-CE2 4.38Å; K886-F888 HydrophobicContact CD-CE1 4.31Å; K886-F888 HydrophobicContact CD-CE2 4.27Å; K886-F888 HydrophobicContact CD-CZ 3.69Å; K886-F888 HydrophobicContact CG-CE1 4.42Å; K886-F888 HydrophobicContact CG-CE2 3.98Å; K886-F888 HydrophobicContact CG-CZ 3.83Å; F888-L891 HydrophobicContact CB-CD2 4.01Å; F888-I921 HydrophobicContact CB-CD1 4.12Å; F888-I921 HydrophobicContact CD1-CD1 4.4Å; F888-I921 HydrophobicContact CD1-CG2 3.81Å; F888-I921 HydrophobicContact CD2-CD1 4.22Å; F888-I921 HydrophobicContact CE1-CG2 3.5Å; F888-I921 VanDerWaalsContact CE1-CG2 3.5Å; F888-I921 HydrophobicContact CE2-CG2 4.34Å; F888-I921 HydrophobicContact CG-CD1 4.01Å; F888-I921 HydrophobicContact CG-CG2 4.34Å; F888-I921 HydrophobicContact CZ-CG2 3.78Å; F888-L923 HydrophobicContact CZ-CG 4.33Å; F888-A926 HydrophobicContact CE1-CB 3.94Å
889G88.1Confident89.5Confident53 Ų5353.2 Ų53.255%0.54629%0.289SS..  trans-98.14-175.500000115.9
890Q81.9Confident90.9Very high180 Ų18050.9 Ų50.984%0.84128%0.28SS*.  trans-128.294.1175.3-72.6177-2200107I928Q890-I928 VanDerWaalsContact O-CD1 3.22Å; Q890-I928 WeakPolarHBondContact O-CD1 3.3Å
891L89.5Confident91.6Very high32 Ų3248.6 Ų48.617%0.16827%0.269CS..  trans-112.2142.5177.1-55.4177.6000108.2I869 F888 H893 P895 I921 I928I869-L891 HydrophobicContact CD1-CD1 4.22Å; I869-L891 HydrophobicContact CG1-CD1 3.94Å; F888-L891 HydrophobicContact CB-CD2 4.01Å; L891-H893 VanDerWaalsContact C-N 3.35Å; L891-H893 WeakPolarHBondContact CB-O 3.37Å; L891-P895 HydrophobicContact CD1-CG 3.96Å; L891-I921 HydrophobicContact CD2-CD1 3.59Å; L891-I928 HydrophobicContact CD2-CD1 3.85Å
892S88Confident91.5Very high77 Ų7745.6 Ų45.654%0.53826%0.259SS..SBendtrans-69.2-33.9173.941.10000112.2
893H92.5Very high91.2Very high36 Ų3645.5 Ų45.517%0.16726%0.258CS..SBendtrans-130.5151.5-178-38.4-88.3000110.9L891 Y912 E916 H919 D930L891-H893 VanDerWaalsContact C-N 3.35Å; L891-H893 WeakPolarHBondContact CB-O 3.37Å; H893-Y912 HydrophobicContact CB-CE2 4.4Å; H893-Y912 WeakPolarHBondContact O-CE2 3.45Å; H893-E916 IonicContact CE1-OE2 3.06Å; H893-E916 PolarHBondContact CE1-OE2 2.57Å; H893-E916 IonicContact CG-OE2 2.72Å; H893-E916 IonicContact ND1-OE2 3.11Å; H893-E916 PolarHBondContact ND1-OE2 3.48Å; H893-H919 AromaticContact CD2-CE1 3.06Å; H893-H919 PolarHBondContact CD2-CE1 3.13Å; H893-H919 AromaticContact CD2-CG 3.85Å; H893-H919 AromaticContact CD2-ND1 3.25Å; H893-H919 PolarHBondContact CD2-ND1 3.03Å; H893-H919 AromaticContact CD2-NE2 3.56Å; H893-H919 AromaticContact CE1-CE1 3.94Å; H893-H919 AromaticContact CG-CE1 3.42Å; H893-H919 VanDerWaalsContact CG-CE1 3.42Å; H893-H919 AromaticContact CG-NE2 3.58Å; H893-H919 AromaticContact ND1-CE1 3.93Å; H893-H919 AromaticContact NE2-CE1 3.49Å; H893-H919 PolarHBondContact NE2-CE1 2.85Å; H893-H919 AromaticContact NE2-ND1 3.64Å; H893-D930 IonicContact NE2-OD1 3.57Å
894Q93.1Very high90.5Very high125 Ų12548.3 Ų48.358%0.58427%0.271SS*.  trans-78.7130.8-177-63.5-17810.200111.5L896 S914Q894-L896 PolarHBondContact O-N 2.77Å; Q894-S914 WeakPolarHBondContact O-CA 3.46Å; Q894-S914 VanDerWaalsContact O-CB 3.25Å; Q894-S914 WeakPolarHBondContact O-CB 3.38Å
895P95.7Very high89.6Confident0 Ų051.8 Ų51.80%028%0.28CS..  trans-83110.6-173.732.3-34.9000112.4L865 I869 L891 V898 Y912L865-P895 VanDerWaalsContact O-CG 3.26Å; L865-P895 WeakPolarHBondContact O-CG 3.46Å; I869-P895 HydrophobicContact CD1-CB 4.03Å; I869-P895 HydrophobicContact CD1-CG 4.41Å; I869-P895 HydrophobicContact CG1-CB 4.08Å; I869-P895 HydrophobicContact CG1-CG 3.96Å; L891-P895 HydrophobicContact CD1-CG 3.96Å; P895-V898 HydrophobicContact CB-CG1 4.05Å; P895-Y912 HydrophobicContact CB-CD2 3.84Å; P895-Y912 HydrophobicContact CB-CG 4.28Å
896L96Very high88.6Confident65 Ų6549.4 Ų49.434%0.3427%0.274SS..SBendtrans-84.6-40.5175.3-60.6-178.4000112.1I848 H849 Q894 G913 P943I848-L896 WeakPolarHBondContact CG2-O 3.35Å; H849-L896 WeakPolarHBondContact CB-O 3.48Å; Q894-L896 PolarHBondContact O-N 2.77Å; L896-G913 PolarHBondContact N-O 3.41Å; L896-P943 HydrophobicContact CB-CG 3.93Å; L896-P943 HydrophobicContact CD1-CG 3.95Å
897I96.4Very high88Confident22 Ų2250.8 Ų50.811%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-130.5153170.961.6172.5000110.3Y912 G913 F918 P943 I946I897-Y912 VanDerWaalsContact O-CA 3.24Å; I897-Y912 WeakPolarHBondContact O-CA 3.44Å; I897-Y912 WeakPolarHBondContact O-CB 3.3Å; I897-G913 PolarHBondContact N-O 2.95Å; I897-G913 PolarHBondContact O-N 3.26Å; I897-F918 HydrophobicContact CD1-CE1 4.25Å; I897-P943 HydrophobicContact CD1-CB 3.87Å; I897-P943 HydrophobicContact CG1-CB 4.07Å; I897-P943 HydrophobicContact CG1-CG 4.36Å; I897-I946 HydrophobicContact CD1-CD1 4.29Å; I897-I946 HydrophobicContact CD1-CG1 3.96Å; I897-I946 HydrophobicContact CG1-CD1 4.38Å
898V97.2Very high87.9Confident3 Ų347.8 Ų47.82%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-137.9145.2-179.4-65.60000111.4H849 K851 V862 I869 P895 L911H849-V898 HydrophobicContact CB-CG2 4.47Å; H849-V898 PolarHBondContact CE1-O 3.02Å; H849-V898 VanDerWaalsContact CE1-O 3.28Å; H849-V898 WeakPolarHBondContact ND1-CG2 3.2Å; H849-V898 PolarHBondContact ND1-N 3.43Å; H849-V898 PolarHBondContact ND1-O 3.29Å; K851-V898 WeakPolarHBondContact CB-O 3.12Å; V862-V898 HydrophobicContact CG1-CB 4.02Å; V862-V898 HydrophobicContact CG1-CG2 4.06Å; I869-V898 HydrophobicContact CD1-CG1 3.86Å; I869-V898 HydrophobicContact CG1-CG1 4.04Å; P895-V898 HydrophobicContact CB-CG1 4.05Å; V898-L911 CarbonylContact C-O 3.58Å; V898-L911 WeakPolarHBondContact CA-O 3.46Å
899D95.8Very high87.8Confident10 Ų1047 Ų475%0.05325%0.253CS..EExtended strand (participates in β ladder)trans-143.5175.9172.1-134.9-46.5000110.4K851 L911 I946K851-D899 WeakPolarHBondContact CG-OD1 3.24Å; K851-D899 IonicContact NZ-OD1 3.41Å; K851-D899 PolarHBondContact NZ-OD1 2.78Å; K851-D899 IonicContact NZ-OD2 3.29Å; K851-D899 PolarHBondContact NZ-OD2 3.34Å; D899-L911 HydrophobicContact CB-CB 4.36Å; D899-L911 PolarHBondContact N-O 2.95Å; D899-L911 PolarHBondContact O-N 3.14Å; D899-I946 HydrophobicContact CB-CB 4.38Å; D899-I946 HydrophobicContact CB-CD1 4.41Å; D899-I946 HydrophobicContact CB-CG2 4.36Å
900L94.4Very high88.2Confident1 Ų144.5 Ų44.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-142128167.8171.2155.9000109.6V853 V862 I871 V902 L908 K909 V910 L923V853-L900 HydrophobicContact CB-CD2 4.26Å; V853-L900 HydrophobicContact CG1-CD2 3.89Å; V853-L900 HydrophobicContact CG2-CB 4.06Å; V862-L900 HydrophobicContact CG2-CB 3.78Å; V862-L900 HydrophobicContact CG2-CD1 4.07Å; I871-L900 HydrophobicContact CD1-CD1 4.49Å; L900-V902 HydrophobicContact CD2-CG2 4.02Å; L900-L908 HydrophobicContact CD2-CD2 4.47Å; L900-K909 CarbonylContact C-O 3.49Å; L900-K909 VanDerWaalsContact CA-O 3.29Å; L900-K909 WeakPolarHBondContact CA-O 3.24Å; L900-V910 HydrophobicContact CD1-CG2 4.36Å; L900-L923 HydrophobicContact CD1-CD2 4.49Å
901T93.1Very high88.9Confident3 Ų335.9 Ų35.92%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-101.8160.5171.6-165.90000110.5E903 K909 L911 G954 T970T901-E903 HydrophobicContact CG2-CG 4.45Å; T901-K909 HydrophobicContact CG2-CB 3.99Å; T901-K909 PolarHBondContact N-O 2.75Å; T901-K909 PolarHBondContact O-N 2.88Å; T901-L911 HydrophobicContact CG2-CD1 3.91Å; T901-L911 HydrophobicContact CG2-CD2 4.19Å; T901-L911 HydrophobicContact CG2-CG 4.16Å; T901-G954 VanDerWaalsContact OG1-CA 3.3Å; T901-G954 WeakPolarHBondContact OG1-CA 3.36Å; T901-G954 PolarHBondContact OG1-O 2.83Å; T901-T970 HydrophobicContact CG2-CG2 3.91Å
902V86.3Confident89.2Confident27 Ų2734.4 Ų34.416%0.16418%0.179CC..EExtended strand (participates in β ladder)trans-125.4114171.8-172.80000106.8Y855 L900 L908Y855-V902 HydrophobicContact CD2-CB 4.11Å; Y855-V902 HydrophobicContact CD2-CG1 3.98Å; Y855-V902 HydrophobicContact CD2-CG2 3.76Å; Y855-V902 HydrophobicContact CE1-CG1 4.45Å; Y855-V902 HydrophobicContact CE2-CB 4.22Å; Y855-V902 HydrophobicContact CE2-CG1 3.65Å; Y855-V902 HydrophobicContact CE2-CG2 4.32Å; Y855-V902 HydrophobicContact CG-CG2 3.94Å; L900-V902 HydrophobicContact CD2-CG2 4.02Å; V902-L908 HydrophobicContact CB-CD2 4.18Å; V902-L908 HydrophobicContact CG1-CD2 3.87Å; V902-L908 HydrophobicContact CG2-CD2 3.5Å
903E85.2Confident89.6Confident9 Ų930.7 Ų30.74%0.04215%0.153CC..  trans-81.5179-178.6-63.8-167.1161.900112T901 A906 R907 K909 S953 M955 T970 Y971T901-E903 HydrophobicContact CG2-CG 4.45Å; E903-A906 PolarHBondContact O-N 2.94Å; E903-A906 VanDerWaalsContact O-N 3.09Å; E903-R907 HydrophobicContact CB-CB 4.34Å; E903-R907 PolarHBondContact N-O 2.75Å; E903-K909 HydrophobicContact CG-CD 4.46Å; E903-K909 VanDerWaalsContact OE1-CD 3.32Å; E903-K909 WeakPolarHBondContact OE1-CD 3.43Å; E903-K909 WeakPolarHBondContact OE1-CE 3.49Å; E903-K909 IonicContact OE1-NZ 2.63Å; E903-K909 PolarHBondContact OE1-NZ 2.82Å; E903-K909 WeakPolarHBondContact OE2-CE 3.12Å; E903-K909 IonicContact OE2-NZ 3.41Å; E903-K909 PolarHBondContact OE2-NZ 2.72Å; E903-S953 CarbonylContact C-O 3.54Å; E903-S953 WeakPolarHBondContact CA-O 3.49Å; E903-M955 HydrophobicContact CB-SD 3.72Å; E903-M955 VanDerWaalsContact CD-SD 3.58Å; E903-M955 HydrophobicContact CG-SD 3.72Å; E903-T970 WeakPolarHBondContact OE1-CB 3.45Å; E903-T970 WeakPolarHBondContact OE1-CG2 3.43Å; E903-T970 PolarHBondContact OE1-OG1 3.02Å; E903-Y971 WeakPolarHBondContact OE1-CE2 3.46Å; E903-Y971 PolarHBondContact OE2-OH 3.34Å
904E74.4Confident89.8Confident108 Ų10829 Ų2951%0.50515%0.145SC..G310 helixtrans-54.3145.5165.4-61.7-172.116300111A906 S953 M955E904-A906 PolarHBondContact O-N 3.34Å; E904-S953 WeakPolarHBondContact OE1-CB 3.37Å; E904-S953 PolarHBondContact OE1-OG 2.9Å; E904-M955 HydrophobicContact CG-CG 4.33Å
905N70.6Confident89.9Confident141 Ų14124.6 Ų24.675%0.75413%0.128SC*.G310 helixtrans59.429.4-168.9-48.2-48.2000114R907N905-R907 PolarHBondContact O-N 2.85Å; N905-R907 VanDerWaalsContact O-N 3.08Å
906A67.8Low89.8Confident22 Ų2229 Ų2918%0.18215%0.149CC..G310 helixtrans61.713.7172.700000116L545 Y855 E903 E904 L908L545-A906 HydrophobicContact CD1-CB 4.04Å; L545-A906 HydrophobicContact CD2-CB 3.95Å; Y855-A906 WeakPolarHBondContact OH-CB 3.46Å; E903-A906 PolarHBondContact O-N 2.94Å; E903-A906 VanDerWaalsContact O-N 3.09Å; E904-A906 PolarHBondContact O-N 3.34Å; A906-L908 PolarHBondContact O-N 2.93Å
907R77.8Confident89.7Confident73 Ų7326 Ų2628%0.27513%0.133SC..  trans-66.1120.4-177.8-55.5-16868.4-127.6-8.8110.4E903 N905 D922 D924E903-R907 HydrophobicContact CB-CB 4.34Å; E903-R907 PolarHBondContact N-O 2.75Å; N905-R907 PolarHBondContact O-N 2.85Å; N905-R907 VanDerWaalsContact O-N 3.08Å; R907-D922 IonicContact CZ-OD2 3.53Å; R907-D922 IonicContact NH1-OD2 3.62Å; R907-D922 PolarHBondContact NH1-OD2 2.95Å; R907-D922 VanDerWaalsContact NH2-CG 3.32Å; R907-D922 IonicContact NH2-OD1 3.66Å; R907-D922 PolarHBondContact NH2-OD1 3.03Å; R907-D922 IonicContact NH2-OD2 3.42Å; R907-D922 PolarHBondContact NH2-OD2 3.32Å; R907-D924 IonicContact CZ-OD2 1.92Å; R907-D924 IonicContact NE-OD2 3.65Å; R907-D924 PolarHBondContact NE-OD2 3.08Å; R907-D924 IonicContact NH2-OD2 3.88Å; R907-D924 PolarHBondContact NH2-OD2 3.22Å
908L88.1Confident89.8Confident0 Ų024.9 Ų24.90%013%0.128CC..EExtended strand (participates in β ladder)trans-84.5135-178.4-54.1-177.5000110.1L549 F860 L900 V902 A906 L923L549-L908 HydrophobicContact CD1-CD1 3.53Å; L549-L908 HydrophobicContact CD1-CG 4.2Å; F860-L908 HydrophobicContact CE2-CD1 4.34Å; F860-L908 HydrophobicContact CZ-CD1 4.08Å; L900-L908 HydrophobicContact CD2-CD2 4.47Å; V902-L908 HydrophobicContact CB-CD2 4.18Å; V902-L908 HydrophobicContact CG1-CD2 3.87Å; V902-L908 HydrophobicContact CG2-CD2 3.5Å; A906-L908 PolarHBondContact O-N 2.93Å; L908-L923 HydrophobicContact CB-CB 4.03Å; L908-L923 HydrophobicContact CB-CD1 4.2Å; L908-L923 HydrophobicContact CB-CD2 3.8Å; L908-L923 HydrophobicContact CB-CG 4.22Å; L908-L923 HydrophobicContact CD1-CD2 3.91Å; L908-L923 WeakPolarHBondContact O-CB 3.05Å; L908-L923 PolarHBondContact O-N 2.92Å; L908-L923 VanDerWaalsContact O-N 3.07Å
909K92.7Very high89.7Confident0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-131.8129.1169-60.4-170.7-179.6167.20111.2L900 T901 E903 L911 I921 Y929 Y971L900-K909 CarbonylContact C-O 3.49Å; L900-K909 VanDerWaalsContact CA-O 3.29Å; L900-K909 WeakPolarHBondContact CA-O 3.24Å; T901-K909 HydrophobicContact CG2-CB 3.99Å; T901-K909 PolarHBondContact N-O 2.75Å; T901-K909 PolarHBondContact O-N 2.88Å; E903-K909 HydrophobicContact CG-CD 4.46Å; E903-K909 VanDerWaalsContact OE1-CD 3.32Å; E903-K909 WeakPolarHBondContact OE1-CD 3.43Å; E903-K909 WeakPolarHBondContact OE1-CE 3.49Å; E903-K909 IonicContact OE1-NZ 2.63Å; E903-K909 PolarHBondContact OE1-NZ 2.82Å; E903-K909 WeakPolarHBondContact OE2-CE 3.12Å; E903-K909 IonicContact OE2-NZ 3.41Å; E903-K909 PolarHBondContact OE2-NZ 2.72Å; K909-L911 HydrophobicContact CB-CD2 4.5Å; K909-I921 CarbonylContact C-O 3.49Å; K909-I921 WeakPolarHBondContact CA-O 3.3Å; K909-Y929 WeakPolarHBondContact CD-OH 3.21Å; K909-Y929 VanDerWaalsContact CE-OH 3.23Å; K909-Y929 WeakPolarHBondContact CE-OH 3.32Å; K909-Y929 PolarHBondContact NZ-OH 3.35Å; K909-Y971 PolarHBondContact NZ-OH 3.42Å
910V95.1Very high89.7Confident0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-73.6137.5163.1156.10000107.9V862 I869 I871 L900 Y912 A920 I921 L923V862-V910 HydrophobicContact CG1-CG2 4.03Å; I869-V910 HydrophobicContact CD1-CG1 3.73Å; I869-V910 HydrophobicContact CG2-CG1 4.19Å; I869-V910 HydrophobicContact CG2-CG2 4.4Å; I871-V910 HydrophobicContact CD1-CG2 3.6Å; I871-V910 HydrophobicContact CG1-CG2 4.26Å; L900-V910 HydrophobicContact CD1-CG2 4.36Å; V910-Y912 HydrophobicContact CG1-CD1 4.39Å; V910-A920 CarbonylContact O-C 3.36Å; V910-A920 WeakPolarHBondContact O-CA 3.46Å; V910-I921 HydrophobicContact CB-CB 4.19Å; V910-I921 HydrophobicContact CB-CG1 4.48Å; V910-I921 HydrophobicContact CG1-CB 4.5Å; V910-I921 HydrophobicContact CG1-CD1 4.22Å; V910-I921 HydrophobicContact CG1-CG1 4.24Å; V910-I921 PolarHBondContact N-O 2.79Å; V910-I921 PolarHBondContact O-N 3.36Å; V910-L923 HydrophobicContact CB-CD1 4.3Å; V910-L923 HydrophobicContact CG2-CD1 4.03Å
911L96.6Very high89.7Confident0 Ų024.2 Ų24.20%012%0.124CC..EExtended strand (participates in β ladder)trans-117.1133172.5-51.4174.2000107V898 D899 T901 K909 A920 I931 I946 I948 L957V898-L911 CarbonylContact C-O 3.58Å; V898-L911 WeakPolarHBondContact CA-O 3.46Å; D899-L911 HydrophobicContact CB-CB 4.36Å; D899-L911 PolarHBondContact N-O 2.95Å; D899-L911 PolarHBondContact O-N 3.14Å; T901-L911 HydrophobicContact CG2-CD1 3.91Å; T901-L911 HydrophobicContact CG2-CD2 4.19Å; T901-L911 HydrophobicContact CG2-CG 4.16Å; K909-L911 HydrophobicContact CB-CD2 4.5Å; L911-A920 HydrophobicContact CD2-CB 4.33Å; L911-I931 HydrophobicContact CD2-CD1 3.78Å; L911-I946 HydrophobicContact CB-CD1 3.93Å; L911-I946 HydrophobicContact CB-CG2 4.31Å; L911-I946 HydrophobicContact CD1-CG2 3.86Å; L911-I948 HydrophobicContact CD1-CG1 4.27Å; L911-L957 HydrophobicContact CD1-CD1 3.84Å; L911-L957 HydrophobicContact CD1-CD2 3.58Å; L911-L957 HydrophobicContact CD1-CG 4.39Å; L911-L957 HydrophobicContact CD2-CD1 4.2Å
912Y97.2Very high89.6Confident0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-139.2141.8176.371.6-85.2000112.4I869 H893 P895 I897 V910 F918 H919 I921 I928I869-Y912 HydrophobicContact CD1-CD1 3.7Å; I869-Y912 HydrophobicContact CD1-CD2 4.45Å; I869-Y912 HydrophobicContact CD1-CE1 4.37Å; I869-Y912 HydrophobicContact CD1-CG 3.75Å; H893-Y912 HydrophobicContact CB-CE2 4.4Å; H893-Y912 WeakPolarHBondContact O-CE2 3.45Å; P895-Y912 HydrophobicContact CB-CD2 3.84Å; P895-Y912 HydrophobicContact CB-CG 4.28Å; I897-Y912 VanDerWaalsContact O-CA 3.24Å; I897-Y912 WeakPolarHBondContact O-CA 3.44Å; I897-Y912 WeakPolarHBondContact O-CB 3.3Å; V910-Y912 HydrophobicContact CG1-CD1 4.39Å; Y912-F918 WeakPolarHBondContact O-CA 3.26Å; Y912-H919 HydrophobicContact CD1-CB 4.06Å; Y912-H919 HydrophobicContact CD2-CB 4.43Å; Y912-H919 AromaticContact CD2-CD2 3.87Å; Y912-H919 HydrophobicContact CE1-CB 3.58Å; Y912-H919 HydrophobicContact CE2-CB 4.01Å; Y912-H919 AromaticContact CE2-CD2 3.54Å; Y912-H919 AromaticContact CE2-CG 3.96Å; Y912-H919 HydrophobicContact CG-CB 4.46Å; Y912-H919 AromaticContact CZ-CD2 3.98Å; Y912-H919 AromaticContact CZ-CG 3.91Å; Y912-H919 PolarHBondContact N-O 3.39Å; Y912-H919 PolarHBondContact O-N 3.03Å; Y912-I921 HydrophobicContact CD1-CD1 4.29Å; Y912-I921 HydrophobicContact CD1-CG1 4.1Å; Y912-I921 HydrophobicContact CE1-CD1 3.94Å; Y912-I921 HydrophobicContact CE1-CG1 3.71Å; Y912-I928 HydrophobicContact CE1-CG2 4.42Å
913G96.7Very high89.6Confident0 Ų023.2 Ų23.20%012%0.118CC..EExtended strand (participates in β ladder)trans-99.2133.9171.900000109.5L896 I897L896-G913 PolarHBondContact N-O 3.41Å; I897-G913 PolarHBondContact N-O 2.95Å; I897-G913 PolarHBondContact O-N 3.26Å
914S96Very high89.5Confident0 Ų023.9 Ų23.90%012%0.121CC..  trans-111.8-172.2175.177.20000110.8Q894 E916 G917 H919 P943Q894-S914 WeakPolarHBondContact O-CA 3.46Å; Q894-S914 VanDerWaalsContact O-CB 3.25Å; Q894-S914 WeakPolarHBondContact O-CB 3.38Å; S914-E916 PolarHBondContact O-N 2.81Å; S914-E916 PolarHBondContact OG-N 2.91Å; S914-G917 PolarHBondContact N-O 2.98Å; S914-G917 PolarHBondContact OG-N 2.97Å; S914-G917 VanDerWaalsContact OG-N 3.12Å; S914-G917 PolarHBondContact OG-O 3.1Å; S914-H919 WeakPolarHBondContact CB-NE2 3.39Å; S914-H919 PolarHBondContact OG-NE2 3.15Å; S914-P943 WeakPolarHBondContact O-CD 3.48Å; S914-P943 WeakPolarHBondContact O-CG 3.46Å
915S94.4Very high90Very high32 Ų3221.8 Ų21.822%0.22412%0.118CC..SBendtrans-74.2-8.616949.50000114.1F940 I941S915-F940 CarbonylContact O-C 3.57Å; S915-F940 WeakPolarHBondContact O-CA 3.33Å; S915-I941 PolarHBondContact O-N 3.29Å
916E93.8Very high90.8Very high94 Ų9416.3 Ų16.344%0.4399%0.093SC..SBendtrans-117.3-21.9-173.8-65173.9164.200112.6H893 S914 F940H893-E916 IonicContact CE1-OE2 3.06Å; H893-E916 PolarHBondContact CE1-OE2 2.57Å; H893-E916 IonicContact CG-OE2 2.72Å; H893-E916 IonicContact ND1-OE2 3.11Å; H893-E916 PolarHBondContact ND1-OE2 3.48Å; S914-E916 PolarHBondContact O-N 2.81Å; S914-E916 PolarHBondContact OG-N 2.91Å; E916-F940 HydrophobicContact CG-CD1 4.43Å
917G95Very high91.8Very high0 Ų017.7 Ų17.70%010%0.101CC..  trans175.5-157.7-178.800000113.9S914 H919 H932S914-G917 PolarHBondContact N-O 2.98Å; S914-G917 PolarHBondContact OG-N 2.97Å; S914-G917 VanDerWaalsContact OG-N 3.12Å; S914-G917 PolarHBondContact OG-O 3.1Å; G917-H919 PolarHBondContact O-NE2 3.02Å; G917-H932 CarbonylContact C-O 3.57Å; G917-H932 VanDerWaalsContact CA-O 3.22Å; G917-H932 WeakPolarHBondContact CA-O 3.27Å
918F97Very high92.5Very high0 Ų017 Ų170%010%0.102CC..EExtended strand (participates in β ladder)trans-124136.8174.4-65.8-101.9000109.4I897 Y912 I931 H932 I941 P943 I946 L959 Y961I897-F918 HydrophobicContact CD1-CE1 4.25Å; Y912-F918 WeakPolarHBondContact O-CA 3.26Å; F918-I931 WeakPolarHBondContact O-CA 3.49Å; F918-I931 WeakPolarHBondContact O-CB 3.26Å; F918-I931 PolarHBondContact O-N 2.93Å; F918-H932 PolarHBondContact N-O 2.79Å; F918-H932 PolarHBondContact O-N 3Å; F918-H932 VanDerWaalsContact O-N 3.13Å; F918-I941 HydrophobicContact CD2-CD1 4.35Å; F918-I941 HydrophobicContact CE2-CD1 3.94Å; F918-P943 HydrophobicContact CE1-CB 3.99Å; F918-P943 HydrophobicContact CE2-CB 4.42Å; F918-P943 HydrophobicContact CZ-CB 3.69Å; F918-I946 HydrophobicContact CD1-CD1 4.12Å; F918-I946 HydrophobicContact CD1-CG1 3.81Å; F918-I946 HydrophobicContact CE1-CD1 4.46Å; F918-I946 HydrophobicContact CE1-CG1 3.8Å; F918-L959 HydrophobicContact CB-CD1 3.73Å; F918-L959 HydrophobicContact CB-CD2 4.45Å; F918-L959 HydrophobicContact CD1-CB 4.26Å; F918-L959 HydrophobicContact CD1-CD1 4.27Å; F918-L959 HydrophobicContact CD1-CD2 3.79Å; F918-L959 HydrophobicContact CD1-CG 4.33Å; F918-L959 HydrophobicContact CD2-CB 4.25Å; F918-L959 HydrophobicContact CD2-CD1 4.09Å; F918-L959 HydrophobicContact CE1-CB 4.16Å; F918-L959 HydrophobicContact CE1-CD2 4.22Å; F918-L959 HydrophobicContact CE2-CB 4.2Å; F918-L959 HydrophobicContact CG-CB 4.29Å; F918-L959 HydrophobicContact CG-CD1 3.79Å; F918-L959 HydrophobicContact CG-CD2 4.17Å; F918-L959 HydrophobicContact CG-CG 4.31Å; F918-L959 HydrophobicContact CZ-CB 4.13Å; F918-Y961 HydrophobicContact CD2-CD1 4.49Å; F918-Y961 AromaticContact CE2-CD1 3.53Å; F918-Y961 HydrophobicContact CE2-CD1 3.53Å; F918-Y961 HydrophobicContact CE2-CE1 4.44Å; F918-Y961 HydrophobicContact CE2-CG 4.04Å; F918-Y961 HydrophobicContact CZ-CD1 4.14Å
919H96.2Very high92.7Very high0 Ų019.8 Ų19.80%011%0.113CC..EExtended strand (participates in β ladder)trans-136.4150.5-167.4-38.8-88.1000110.1H893 Y912 S914 G917 Y929 D930H893-H919 AromaticContact CD2-CE1 3.06Å; H893-H919 PolarHBondContact CD2-CE1 3.13Å; H893-H919 AromaticContact CD2-CG 3.85Å; H893-H919 AromaticContact CD2-ND1 3.25Å; H893-H919 PolarHBondContact CD2-ND1 3.03Å; H893-H919 AromaticContact CD2-NE2 3.56Å; H893-H919 AromaticContact CE1-CE1 3.94Å; H893-H919 AromaticContact CG-CE1 3.42Å; H893-H919 VanDerWaalsContact CG-CE1 3.42Å; H893-H919 AromaticContact CG-NE2 3.58Å; H893-H919 AromaticContact ND1-CE1 3.93Å; H893-H919 AromaticContact NE2-CE1 3.49Å; H893-H919 PolarHBondContact NE2-CE1 2.85Å; H893-H919 AromaticContact NE2-ND1 3.64Å; Y912-H919 HydrophobicContact CD1-CB 4.06Å; Y912-H919 HydrophobicContact CD2-CB 4.43Å; Y912-H919 AromaticContact CD2-CD2 3.87Å; Y912-H919 HydrophobicContact CE1-CB 3.58Å; Y912-H919 HydrophobicContact CE2-CB 4.01Å; Y912-H919 AromaticContact CE2-CD2 3.54Å; Y912-H919 AromaticContact CE2-CG 3.96Å; Y912-H919 HydrophobicContact CG-CB 4.46Å; Y912-H919 AromaticContact CZ-CD2 3.98Å; Y912-H919 AromaticContact CZ-CG 3.91Å; Y912-H919 PolarHBondContact N-O 3.39Å; Y912-H919 PolarHBondContact O-N 3.03Å; S914-H919 WeakPolarHBondContact CB-NE2 3.39Å; S914-H919 PolarHBondContact OG-NE2 3.15Å; G917-H919 PolarHBondContact O-NE2 3.02Å; H919-Y929 CarbonylContact C-O 3.39Å; H919-Y929 WeakPolarHBondContact CA-O 3.26Å; H919-D930 IonicContact CE1-OD1 3.22Å; H919-D930 IonicContact CG-OD1 2.73Å; H919-D930 IonicContact ND1-OD1 3.18Å; H919-D930 PolarHBondContact ND1-OD1 2.88Å
920A95.3Very high92.8Very high0 Ų023.7 Ų23.70%013%0.134CC..EExtended strand (participates in β ladder)trans-108.6149.8175.200000110.7V910 L911 I928 Y929 I931V910-A920 CarbonylContact O-C 3.36Å; V910-A920 WeakPolarHBondContact O-CA 3.46Å; L911-A920 HydrophobicContact CD2-CB 4.33Å; A920-I928 WeakPolarHBondContact O-CA 3.34Å; A920-Y929 HydrophobicContact CB-CD2 4.09Å; A920-Y929 HydrophobicContact CB-CE1 4.06Å; A920-Y929 HydrophobicContact CB-CE2 3.57Å; A920-Y929 PolarHBondContact N-O 2.88Å; A920-Y929 PolarHBondContact O-N 3.49Å; A920-Y929 VanDerWaalsContact O-N 3.17Å; A920-I931 HydrophobicContact CB-CD1 3.93Å; A920-I931 HydrophobicContact CB-CG1 3.9Å
921I94.2Very high92.8Very high0 Ų024.1 Ų24.10%014%0.136CC..EExtended strand (participates in β ladder)trans-122.7116.5160.6-43.2-178.5000108I869 F888 L891 K909 V910 Y912 L923 S927 I928I869-I921 HydrophobicContact CD1-CD1 4.15Å; F888-I921 HydrophobicContact CB-CD1 4.12Å; F888-I921 HydrophobicContact CD1-CD1 4.4Å; F888-I921 HydrophobicContact CD1-CG2 3.81Å; F888-I921 HydrophobicContact CD2-CD1 4.22Å; F888-I921 HydrophobicContact CE1-CG2 3.5Å; F888-I921 VanDerWaalsContact CE1-CG2 3.5Å; F888-I921 HydrophobicContact CE2-CG2 4.34Å; F888-I921 HydrophobicContact CG-CD1 4.01Å; F888-I921 HydrophobicContact CG-CG2 4.34Å; F888-I921 HydrophobicContact CZ-CG2 3.78Å; L891-I921 HydrophobicContact CD2-CD1 3.59Å; K909-I921 CarbonylContact C-O 3.49Å; K909-I921 WeakPolarHBondContact CA-O 3.3Å; V910-I921 HydrophobicContact CB-CB 4.19Å; V910-I921 HydrophobicContact CB-CG1 4.48Å; V910-I921 HydrophobicContact CG1-CB 4.5Å; V910-I921 HydrophobicContact CG1-CD1 4.22Å; V910-I921 HydrophobicContact CG1-CG1 4.24Å; V910-I921 PolarHBondContact N-O 2.79Å; V910-I921 PolarHBondContact O-N 3.36Å; Y912-I921 HydrophobicContact CD1-CD1 4.29Å; Y912-I921 HydrophobicContact CD1-CG1 4.1Å; Y912-I921 HydrophobicContact CE1-CD1 3.94Å; Y912-I921 HydrophobicContact CE1-CG1 3.71Å; I921-L923 PolarHBondContact O-N 3.3Å; I921-S927 WeakPolarHBondContact CA-O 3.46Å; I921-I928 HydrophobicContact CD1-CG1 4.49Å; I921-I928 HydrophobicContact CG1-CG1 4.15Å; I921-I928 HydrophobicContact CG2-CG1 4.13Å
922D90.3Very high92.7Very high8 Ų825.7 Ų25.74%0.04314%0.144CC..EExtended strand (participates in β ladder)trans-75.5115.2174.6-179.7-81.4000108.8R907 D924 S925 A926 S927 Y929R907-D922 IonicContact CZ-OD2 3.53Å; R907-D922 IonicContact NH1-OD2 3.62Å; R907-D922 PolarHBondContact NH1-OD2 2.95Å; R907-D922 VanDerWaalsContact NH2-CG 3.32Å; R907-D922 IonicContact NH2-OD1 3.66Å; R907-D922 PolarHBondContact NH2-OD1 3.03Å; R907-D922 IonicContact NH2-OD2 3.42Å; R907-D922 PolarHBondContact NH2-OD2 3.32Å; D922-D924 PolarHBondContact O-N 2.99Å; D922-D924 PolarHBondContact OD1-N 3.3Å; D922-S925 WeakPolarHBondContact CB-OG 3.37Å; D922-S925 VanDerWaalsContact CG-OG 3.24Å; D922-S925 WeakPolarHBondContact OD1-CB 3.41Å; D922-S925 PolarHBondContact OD1-N 3.41Å; D922-S925 PolarHBondContact OD1-OG 3.5Å; D922-A926 WeakPolarHBondContact O-CA 3.16Å; D922-A926 PolarHBondContact O-N 3.39Å; D922-S927 PolarHBondContact N-O 2.96Å; D922-Y929 HydrophobicContact CB-CE1 4.2Å
923L86.7Confident92.5Very high1 Ų128.7 Ų28.71%0.00516%0.162CC..THydrogen-bonded Turntrans-68.8-22.7-171.5-93.675.4000113.1L549 I871 F885 K886 F888 L900 L908 V910 I921L549-L923 HydrophobicContact CD2-CB 4.32Å; I871-L923 HydrophobicContact CD1-CD1 4.25Å; I871-L923 HydrophobicContact CD1-CD2 3.79Å; I871-L923 HydrophobicContact CD1-CG 4.24Å; F885-L923 HydrophobicContact CE1-CD2 4.09Å; K886-L923 PolarHBondContact NZ-O 3.13Å; F888-L923 HydrophobicContact CZ-CG 4.33Å; L900-L923 HydrophobicContact CD1-CD2 4.49Å; L908-L923 HydrophobicContact CB-CB 4.03Å; L908-L923 HydrophobicContact CB-CD1 4.2Å; L908-L923 HydrophobicContact CB-CD2 3.8Å; L908-L923 HydrophobicContact CB-CG 4.22Å; L908-L923 HydrophobicContact CD1-CD2 3.91Å; L908-L923 WeakPolarHBondContact O-CB 3.05Å; L908-L923 PolarHBondContact O-N 2.92Å; L908-L923 VanDerWaalsContact O-N 3.07Å; V910-L923 HydrophobicContact CB-CD1 4.3Å; V910-L923 HydrophobicContact CG2-CD1 4.03Å; I921-L923 PolarHBondContact O-N 3.3Å
924D82.9Confident92.2Very high22 Ų2229.1 Ų29.112%0.11817%0.165CC..THydrogen-bonded Turntrans-73.1-67.1-179.2-56.1-24.5000108.9L549 M552 R907 D922 A926L549-D924 VanDerWaalsContact CD2-OD1 3.26Å; L549-D924 WeakPolarHBondContact CD2-OD1 3.31Å; M552-D924 HydrophobicContact CE-CB 3.57Å; M552-D924 WeakPolarHBondContact CE-OD1 3.3Å; M552-D924 HydrophobicContact SD-CB 3.67Å; R907-D924 IonicContact CZ-OD2 1.92Å; R907-D924 IonicContact NE-OD2 3.65Å; R907-D924 PolarHBondContact NE-OD2 3.08Å; R907-D924 IonicContact NH2-OD2 3.88Å; R907-D924 PolarHBondContact NH2-OD2 3.22Å; D922-D924 PolarHBondContact O-N 2.99Å; D922-D924 PolarHBondContact OD1-N 3.3Å; D924-A926 VanDerWaalsContact C-N 3.31Å; D924-A926 PolarHBondContact O-N 2.98Å
925S86.4Confident91.6Very high64 Ų6436.8 Ų36.845%0.44821%0.206SC..THydrogen-bonded Turntrans-73.1-19.5-177.461.20000114.4D922 S927D922-S925 WeakPolarHBondContact CB-OG 3.37Å; D922-S925 VanDerWaalsContact CG-OG 3.24Å; D922-S925 WeakPolarHBondContact OD1-CB 3.41Å; D922-S925 PolarHBondContact OD1-N 3.41Å; D922-S925 PolarHBondContact OD1-OG 3.5Å; S925-S927 PolarHBondContact O-N 3.22Å; S925-S927 WeakPolarHBondContact OG-CB 3.27Å; S925-S927 PolarHBondContact OG-N 2.97Å; S925-S927 PolarHBondContact OG-OG 2.63Å
926A86.1Confident90.8Very high27 Ų2740.7 Ų40.722%0.22322%0.22CC..  trans52.932.2-16400000112.9F888 D922 D924F888-A926 HydrophobicContact CE1-CB 3.94Å; D922-A926 WeakPolarHBondContact O-CA 3.16Å; D922-A926 PolarHBondContact O-N 3.39Å; D924-A926 VanDerWaalsContact C-N 3.31Å; D924-A926 PolarHBondContact O-N 2.98Å
927S89.5Confident89.8Confident50 Ų5038.6 Ų38.635%0.3521%0.214SC..  trans-79.7144.7168.2600000110.5I921 D922 S925I921-S927 WeakPolarHBondContact CA-O 3.46Å; D922-S927 PolarHBondContact N-O 2.96Å; S925-S927 PolarHBondContact O-N 3.22Å; S925-S927 WeakPolarHBondContact OG-CB 3.27Å; S925-S927 PolarHBondContact OG-N 2.97Å; S925-S927 PolarHBondContact OG-OG 2.63Å
928I92.1Very high88.5Confident58 Ų5848.5 Ų48.530%0.29726%0.26SS..EExtended strand (participates in β ladder)trans-116.8134.2175.9-53.3179.4000106.7Q890 L891 Y912 A920 I921Q890-I928 VanDerWaalsContact O-CD1 3.22Å; Q890-I928 WeakPolarHBondContact O-CD1 3.3Å; L891-I928 HydrophobicContact CD2-CD1 3.85Å; Y912-I928 HydrophobicContact CE1-CG2 4.42Å; A920-I928 WeakPolarHBondContact O-CA 3.34Å; I921-I928 HydrophobicContact CD1-CG1 4.49Å; I921-I928 HydrophobicContact CG1-CG1 4.15Å; I921-I928 HydrophobicContact CG2-CG1 4.13Å
929Y93.6Very high87.5Confident60 Ų6050.9 Ų50.924%0.23529%0.285CS..EExtended strand (participates in β ladder)trans-154.3160.5178.255.3-87.1000111.2K909 H919 A920 D922 T970K909-Y929 WeakPolarHBondContact CD-OH 3.21Å; K909-Y929 VanDerWaalsContact CE-OH 3.23Å; K909-Y929 WeakPolarHBondContact CE-OH 3.32Å; K909-Y929 PolarHBondContact NZ-OH 3.35Å; H919-Y929 CarbonylContact C-O 3.39Å; H919-Y929 WeakPolarHBondContact CA-O 3.26Å; A920-Y929 HydrophobicContact CB-CD2 4.09Å; A920-Y929 HydrophobicContact CB-CE1 4.06Å; A920-Y929 HydrophobicContact CB-CE2 3.57Å; A920-Y929 PolarHBondContact N-O 2.88Å; A920-Y929 PolarHBondContact O-N 3.49Å; A920-Y929 VanDerWaalsContact O-N 3.17Å; D922-Y929 HydrophobicContact CB-CE1 4.2Å; Y929-T970 WeakPolarHBondContact CE2-O 3.49Å
930D94.4Very high87.2Confident82 Ų8258.3 Ų58.344%0.43932%0.317SS..EExtended strand (participates in β ladder)trans-84.1140.9-177.5-52.9-38.2000111H893 H919 V933H893-D930 IonicContact NE2-OD1 3.57Å; H919-D930 IonicContact CE1-OD1 3.22Å; H919-D930 IonicContact CG-OD1 2.73Å; H919-D930 IonicContact ND1-OD1 3.18Å; H919-D930 PolarHBondContact ND1-OD1 2.88Å; D930-V933 HydrophobicContact CB-CG2 4.11Å
931I94.7Very high87.1Confident8 Ų858.6 Ų58.64%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-100.8-46.2174.5-48171.1000109.2L911 F918 A920 L957 L959 V968 N969 G972L911-I931 HydrophobicContact CD2-CD1 3.78Å; F918-I931 WeakPolarHBondContact O-CA 3.49Å; F918-I931 WeakPolarHBondContact O-CB 3.26Å; F918-I931 PolarHBondContact O-N 2.93Å; A920-I931 HydrophobicContact CB-CD1 3.93Å; A920-I931 HydrophobicContact CB-CG1 3.9Å; I931-L957 HydrophobicContact CD1-CD1 4.18Å; I931-L957 HydrophobicContact CG2-CD1 4.43Å; I931-L959 HydrophobicContact CG2-CD1 4.18Å; I931-V968 HydrophobicContact CG2-CG2 3.78Å; I931-N969 WeakPolarHBondContact CG2-O 3.31Å; I931-G972 WeakPolarHBondContact O-CA 3.13Å
932H94.7Very high87Confident33 Ų3362.4 Ų62.415%0.15334%0.342CS..EExtended strand (participates in β ladder)trans-153.5122.8-178.2-17666.4000110.8G917 F918 L959 Y961G917-H932 CarbonylContact C-O 3.57Å; G917-H932 VanDerWaalsContact CA-O 3.22Å; G917-H932 WeakPolarHBondContact CA-O 3.27Å; F918-H932 PolarHBondContact N-O 2.79Å; F918-H932 PolarHBondContact O-N 3Å; F918-H932 VanDerWaalsContact O-N 3.13Å; H932-L959 HydrophobicContact CB-CD1 3.7Å; H932-Y961 AromaticContact CD2-CE1 3.66Å; H932-Y961 AromaticContact NE2-CE1 3.54Å; H932-Y961 AromaticContact NE2-CZ 3.65Å; H932-Y961 PolarHBondContact NE2-OH 2.91Å
933V92.9Very high87.3Confident63 Ų6362.5 Ų62.538%0.38234%0.343SS..  trans-123.1111.8174.7175.40000107.1D930 N935D930-V933 HydrophobicContact CB-CG2 4.11Å; V933-N935 PolarHBondContact O-N 2.62Å
934P90Very high87.6Confident10 Ų1064.4 Ų64.47%0.06535%0.352CS..  trans-69.692.9-176.2-24.837.4000113.8H936 V937 I941 Y961P934-H936 PolarHBondContact O-N 3.39Å; P934-V937 HydrophobicContact CB-CB 4.29Å; P934-V937 HydrophobicContact CB-CG2 3.76Å; P934-V937 PolarHBondContact O-N 2.83Å; P934-V937 VanDerWaalsContact O-N 3.1Å; P934-I941 HydrophobicContact CB-CG2 4.5Å; P934-I941 HydrophobicContact CG-CD1 4.34Å; P934-I941 HydrophobicContact CG-CG2 4.13Å; P934-Y961 HydrophobicContact CB-CE2 4.12Å; P934-Y961 HydrophobicContact CG-CD2 4.25Å; P934-Y961 HydrophobicContact CG-CE1 4.17Å; P934-Y961 HydrophobicContact CG-CE2 3.72Å
935N83.5Confident88.1Confident161 Ų16164.3 Ų64.386%0.86135%0.352SS*.THydrogen-bonded Turntrans-58.3-18.2-179.3-68.8-22.5000115.1V933V933-N935 PolarHBondContact O-N 2.62Å
936H78.3Confident88.6Confident113 Ų11361.9 Ų61.952%0.52334%0.335SS..THydrogen-bonded Turntrans-91.1-11.3-179.962.8-66.2000114.2P934 Q938 E964P934-H936 PolarHBondContact O-N 3.39Å; H936-Q938 PolarHBondContact O-N 3.23Å; H936-E964 IonicContact CD2-OE1 2.76Å; H936-E964 IonicContact CE1-OE1 2.66Å; H936-E964 IonicContact CE1-OE2 2.79Å; H936-E964 PolarHBondContact CE1-OE2 3.15Å; H936-E964 VanDerWaalsContact NE2-CD 3.28Å; H936-E964 IonicContact NE2-OE1 3.63Å; H936-E964 PolarHBondContact NE2-OE1 2.83Å; H936-E964 IonicContact NE2-OE2 3.67Å; H936-E964 PolarHBondContact NE2-OE2 3.28Å
937V72.8Confident89Confident50 Ų5060.8 Ų60.830%0.30333%0.325SS..  trans-91.5105.5-178.8-175.80000109.8P934 G939 I941P934-V937 HydrophobicContact CB-CB 4.29Å; P934-V937 HydrophobicContact CB-CG2 3.76Å; P934-V937 PolarHBondContact O-N 2.83Å; P934-V937 VanDerWaalsContact O-N 3.1Å; V937-G939 PolarHBondContact O-N 3.47Å; V937-I941 HydrophobicContact CB-CG2 4.14Å; V937-I941 HydrophobicContact CG1-CG2 3.92Å; V937-I941 HydrophobicContact CG2-CG2 4.13Å
938Q66.7Low89.1Confident208 Ų20860.8 Ų60.897%0.97232%0.32SS*.SBendtrans-77.566.9173.4-67.1-173.9-8.100111.3H936H936-Q938 PolarHBondContact O-N 3.23Å
939G77Confident89.1Confident51 Ų5158.5 Ų58.553%0.52631%0.309SS..SBendtrans158.7-163.5179.500000113.2V937V937-G939 PolarHBondContact O-N 3.47Å
940F89.2Confident88.6Confident156 Ų15657.9 Ų57.968%0.68431%0.312SS*.  trans-84.1134.9178.2-59.4-59.3000112S915 E916S915-F940 CarbonylContact O-C 3.57Å; S915-F940 WeakPolarHBondContact O-CA 3.33Å; E916-F940 HydrophobicContact CG-CD1 4.43Å
941I93.3Very high88Confident6 Ų661.3 Ų61.33%0.03133%0.331CS..  trans-84.8155173.361.2163.6000112.2S915 F918 P934 V937 P943 Y961 D962S915-I941 PolarHBondContact O-N 3.29Å; F918-I941 HydrophobicContact CD2-CD1 4.35Å; F918-I941 HydrophobicContact CE2-CD1 3.94Å; P934-I941 HydrophobicContact CB-CG2 4.5Å; P934-I941 HydrophobicContact CG-CD1 4.34Å; P934-I941 HydrophobicContact CG-CG2 4.13Å; V937-I941 HydrophobicContact CB-CG2 4.14Å; V937-I941 HydrophobicContact CG1-CG2 3.92Å; V937-I941 HydrophobicContact CG2-CG2 4.13Å; I941-P943 VanDerWaalsContact O-CD 3.3Å; I941-P943 WeakPolarHBondContact O-CD 3.39Å; I941-Y961 HydrophobicContact CB-CD2 4.32Å; I941-Y961 HydrophobicContact CD1-CG 4.22Å; I941-Y961 HydrophobicContact CG2-CD2 4.08Å; I941-D962 VanDerWaalsContact CA-OD2 3.26Å; I941-D962 WeakPolarHBondContact CA-OD2 3.34Å; I941-D962 VanDerWaalsContact CB-OD2 3.26Å; I941-D962 WeakPolarHBondContact CB-OD2 3.23Å; I941-D962 WeakPolarHBondContact CG2-OD2 3.44Å
942V92.8Very high87.6Confident80 Ų8062.2 Ų62.249%0.48534%0.336SS..  trans-105.594170.5-174.90000109.9H944 Y961 D962V942-H944 PolarHBondContact O-N 3.14Å; V942-Y961 CarbonylContact O-C 3.45Å; V942-Y961 VanDerWaalsContact O-CA 3.27Å; V942-Y961 WeakPolarHBondContact O-CA 3.26Å; V942-D962 VanDerWaalsContact CB-OD1 3.26Å; V942-D962 WeakPolarHBondContact CB-OD1 3.36Å; V942-D962 WeakPolarHBondContact CG2-OD1 3.48Å; V942-D962 PolarHBondContact N-OD1 3.39Å; V942-D962 PolarHBondContact N-OD2 2.94Å; V942-D962 VanDerWaalsContact N-OD2 3.15Å; V942-D962 PolarHBondContact O-N 2.85Å
943P95.1Very high87.1Confident10 Ų1063.5 Ų63.57%0.06535%0.349CS..EExtended strand (participates in β ladder)trans-68.9120.4178.230.6-37.4000110.7L896 I897 S914 F918 I941L896-P943 HydrophobicContact CB-CG 3.93Å; L896-P943 HydrophobicContact CD1-CG 3.95Å; I897-P943 HydrophobicContact CD1-CB 3.87Å; I897-P943 HydrophobicContact CG1-CB 4.07Å; I897-P943 HydrophobicContact CG1-CG 4.36Å; S914-P943 WeakPolarHBondContact O-CD 3.48Å; S914-P943 WeakPolarHBondContact O-CG 3.46Å; F918-P943 HydrophobicContact CE1-CB 3.99Å; F918-P943 HydrophobicContact CE2-CB 4.42Å; F918-P943 HydrophobicContact CZ-CB 3.69Å; I941-P943 VanDerWaalsContact O-CD 3.3Å; I941-P943 WeakPolarHBondContact O-CD 3.39Å
944H93.6Very high86.8Confident40 Ų4061.1 Ų61.119%0.18534%0.337CS..EExtended strand (participates in β ladder)trans-91.6-49.5-178.3-71.4-54.1000112.9V942 C960 D962 P986 V989V942-H944 PolarHBondContact O-N 3.14Å; H944-C960 PolarHBondContact N-O 2.79Å; H944-D962 PolarHBondContact CD2-O 2.91Å; H944-D962 PolarHBondContact NE2-O 3.17Å; H944-P986 PolarHBondContact CE1-O 2.92Å; H944-P986 PolarHBondContact NE2-O 3.08Å; H944-V989 HydrophobicContact CB-CB 3.83Å; H944-V989 HydrophobicContact CB-CG2 3.98Å
945C94.4Very high86.8Confident20 Ų2063 Ų6314%0.13535%0.346CS..EExtended strand (participates in β ladder)trans-158.6152.8178.759.50000113.1C960C945-C960 PolarHBondContact N-O 3.34Å; C945-C960 PolarHBondContact O-N 2.85Å
946I95.7Very high87.2Confident14 Ų1458.4 Ų58.47%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-105126.1166.5-62.3166.9000106.5I897 D899 L911 F918 L959I897-I946 HydrophobicContact CD1-CD1 4.29Å; I897-I946 HydrophobicContact CD1-CG1 3.96Å; I897-I946 HydrophobicContact CG1-CD1 4.38Å; D899-I946 HydrophobicContact CB-CB 4.38Å; D899-I946 HydrophobicContact CB-CD1 4.41Å; D899-I946 HydrophobicContact CB-CG2 4.36Å; L911-I946 HydrophobicContact CB-CD1 3.93Å; L911-I946 HydrophobicContact CB-CG2 4.31Å; L911-I946 HydrophobicContact CD1-CG2 3.86Å; F918-I946 HydrophobicContact CD1-CD1 4.12Å; F918-I946 HydrophobicContact CD1-CG1 3.81Å; F918-I946 HydrophobicContact CE1-CD1 4.46Å; F918-I946 HydrophobicContact CE1-CG1 3.8Å; I946-L959 HydrophobicContact CB-CD2 4.44Å; I946-L959 HydrophobicContact CG1-CD2 4.12Å; I946-L959 HydrophobicContact CG2-CD2 4.02Å
947V94.1Very high88Confident4 Ų453 Ų532%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-119.1103.8-178.7-176.40000108.9L949 L957 L958 Y991 I997 V1010V947-L949 HydrophobicContact CG1-CD2 4.49Å; V947-L949 PolarHBondContact O-N 3.34Å; V947-L957 CarbonylContact O-C 3.46Å; V947-L957 WeakPolarHBondContact O-CA 3.32Å; V947-L958 HydrophobicContact CB-CB 4.12Å; V947-L958 WeakPolarHBondContact CB-O 3.25Å; V947-L958 PolarHBondContact N-O 2.99Å; V947-L958 PolarHBondContact O-N 3.22Å; V947-Y991 HydrophobicContact CG1-CD1 3.86Å; V947-Y991 HydrophobicContact CG1-CD2 3.94Å; V947-Y991 HydrophobicContact CG1-CE1 4.32Å; V947-Y991 HydrophobicContact CG1-CE2 4.38Å; V947-Y991 HydrophobicContact CG1-CG 3.64Å; V947-Y991 HydrophobicContact CG2-CG 4.42Å; V947-I997 HydrophobicContact CG2-CD1 4.33Å; V947-V1010 HydrophobicContact CG1-CG1 4.32Å
948I93Very high89.1Confident49 Ų4950.7 Ų50.725%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-71.3120.8172.2-57.7160000107.6L911 L957L911-I948 HydrophobicContact CD1-CG1 4.27Å; I948-L957 HydrophobicContact CB-CD2 4.32Å; I948-L957 HydrophobicContact CG1-CD2 3.8Å
949L90.6Very high90.5Very high10 Ų1040.8 Ų40.85%0.05223%0.234CC..PPolyproline II helixtrans-73134.6-170.9-60.9-172.8000111.6V947 T952 Q956 L958 Y967 V1010V947-L949 HydrophobicContact CG1-CD2 4.49Å; V947-L949 PolarHBondContact O-N 3.34Å; L949-T952 HydrophobicContact CB-CG2 3.7Å; L949-T952 PolarHBondContact O-OG1 2.93Å; L949-Q956 HydrophobicContact CB-CB 4.23Å; L949-Q956 HydrophobicContact CD1-CB 3.73Å; L949-Q956 HydrophobicContact CG-CB 4.14Å; L949-Q956 PolarHBondContact N-O 3.32Å; L949-L958 HydrophobicContact CD2-CB 3.8Å; L949-Y967 HydrophobicContact CD1-CD1 4.02Å; L949-Y967 HydrophobicContact CD1-CE1 4.38Å; L949-Y967 HydrophobicContact CD2-CE1 4.38Å; L949-V1010 HydrophobicContact CD2-CG1 3.53Å
950P84.8Confident91.4Very high47 Ų4738.3 Ų38.331%0.30521%0.209SC..THydrogen-bonded Turntrans-60.4151.317528.4-35.2000110.7T952P950-T952 WeakPolarHBondContact O-CG2 3.3Å; P950-T952 PolarHBondContact O-N 3.12Å; P950-T952 VanDerWaalsContact O-N 3.17Å
951N81.9Confident91.6Very high155 Ų15531 Ų3183%0.82918%0.176SC*.THydrogen-bonded Turntrans63.912.1178-45.3-44.9000115.9
952T86.1Confident91.6Very high26 Ų2632 Ų3216%0.1618%0.182CC..THydrogen-bonded Turntrans-109.920-177.471.20000115.1L949 P950 G954 M955 Q956L949-T952 HydrophobicContact CB-CG2 3.7Å; L949-T952 PolarHBondContact O-OG1 2.93Å; P950-T952 WeakPolarHBondContact O-CG2 3.3Å; P950-T952 PolarHBondContact O-N 3.12Å; P950-T952 VanDerWaalsContact O-N 3.17Å; T952-G954 PolarHBondContact O-N 3Å; T952-M955 VanDerWaalsContact O-CB 3.29Å; T952-M955 WeakPolarHBondContact O-CB 3.48Å; T952-M955 PolarHBondContact O-N 3.43Å; T952-Q956 HydrophobicContact CG2-CB 3.87Å; T952-Q956 HydrophobicContact CG2-CG 3.96Å; T952-Q956 PolarHBondContact OG1-N 3.39Å
953S84.4Confident91.6Very high61 Ų6130.3 Ų30.343%0.42717%0.17SC..THydrogen-bonded Turntrans51.528-177.1-50.50000114.9E903 E904 M955E903-S953 CarbonylContact C-O 3.54Å; E903-S953 WeakPolarHBondContact CA-O 3.49Å; E904-S953 WeakPolarHBondContact OE1-CB 3.37Å; E904-S953 PolarHBondContact OE1-OG 2.9Å; S953-M955 PolarHBondContact O-N 2.84Å
954G85.4Confident91.5Very high12 Ų1231.1 Ų31.112%0.12417%0.173CC..THydrogen-bonded Turntrans75.40.1-175.400000115.6T901 T952 T970T901-G954 VanDerWaalsContact OG1-CA 3.3Å; T901-G954 WeakPolarHBondContact OG1-CA 3.36Å; T901-G954 PolarHBondContact OG1-O 2.83Å; T952-G954 PolarHBondContact O-N 3Å; G954-T970 WeakPolarHBondContact O-CG2 3.38Å
955M89.9Confident91.5Very high50 Ų5029.2 Ų29.225%0.24616%0.164CC..  trans-84.8-25.8-171.5-61.8-75.8-80.900114E903 E904 T952 S953 N969 T970 Y971E903-M955 HydrophobicContact CB-SD 3.72Å; E903-M955 VanDerWaalsContact CD-SD 3.58Å; E903-M955 HydrophobicContact CG-SD 3.72Å; E904-M955 HydrophobicContact CG-CG 4.33Å; T952-M955 VanDerWaalsContact O-CB 3.29Å; T952-M955 WeakPolarHBondContact O-CB 3.48Å; T952-M955 PolarHBondContact O-N 3.43Å; S953-M955 PolarHBondContact O-N 2.84Å; M955-N969 CarbonylContact O-C 3.54Å; M955-N969 WeakPolarHBondContact O-CA 3.28Å; M955-N969 VanDerWaalsContact O-CB 3.27Å; M955-N969 WeakPolarHBondContact O-CB 3.16Å; M955-T970 PolarHBondContact O-N 2.73Å; M955-T970 PolarHBondContact O-OG1 3.16Å; M955-Y971 HydrophobicContact CE-CE2 3.84Å; M955-Y971 HydrophobicContact SD-CE2 4.26Å
956Q92.7Very high91.5Very high65 Ų6528.5 Ų28.530%0.30416%0.159SC..EExtended strand (participates in β ladder)trans-107.8142.1179.7-56-172.57.200112.1L949 T952 T975L949-Q956 HydrophobicContact CB-CB 4.23Å; L949-Q956 HydrophobicContact CD1-CB 3.73Å; L949-Q956 HydrophobicContact CG-CB 4.14Å; L949-Q956 PolarHBondContact N-O 3.32Å; T952-Q956 HydrophobicContact CG2-CB 3.87Å; T952-Q956 HydrophobicContact CG2-CG 3.96Å; T952-Q956 PolarHBondContact OG1-N 3.39Å; Q956-T975 HydrophobicContact CG-CG2 4.01Å
957L95Very high91.5Very high0 Ų027.9 Ų27.90%016%0.156CC..EExtended strand (participates in β ladder)trans-129141.3-175.7-50.2175.3000109.8L911 I931 V947 I948 L959 Y967 V968 T970L911-L957 HydrophobicContact CD1-CD1 3.84Å; L911-L957 HydrophobicContact CD1-CD2 3.58Å; L911-L957 HydrophobicContact CD1-CG 4.39Å; L911-L957 HydrophobicContact CD2-CD1 4.2Å; I931-L957 HydrophobicContact CD1-CD1 4.18Å; I931-L957 HydrophobicContact CG2-CD1 4.43Å; V947-L957 CarbonylContact O-C 3.46Å; V947-L957 WeakPolarHBondContact O-CA 3.32Å; I948-L957 HydrophobicContact CB-CD2 4.32Å; I948-L957 HydrophobicContact CG1-CD2 3.8Å; L957-L959 HydrophobicContact CB-CD2 4.02Å; L957-L959 HydrophobicContact CB-CG 4.34Å; L957-L959 HydrophobicContact CD1-CD2 4.17Å; L957-Y967 WeakPolarHBondContact O-CA 3.34Å; L957-V968 HydrophobicContact CB-CG2 3.98Å; L957-V968 HydrophobicContact CD1-CG2 4.47Å; L957-V968 PolarHBondContact N-O 2.8Å; L957-V968 PolarHBondContact O-N 3.21Å; L957-V968 VanDerWaalsContact O-O 3.13Å; L957-T970 HydrophobicContact CD1-CG2 4Å; L957-T970 HydrophobicContact CD2-CG2 4.16Å; L957-T970 HydrophobicContact CG-CG2 4.07Å
958L95.4Very high91.5Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-103116.6156.816562.8000107.3V947 L949 V966 Y967 L980 I997 V1010V947-L958 HydrophobicContact CB-CB 4.12Å; V947-L958 WeakPolarHBondContact CB-O 3.25Å; V947-L958 PolarHBondContact N-O 2.99Å; V947-L958 PolarHBondContact O-N 3.22Å; L949-L958 HydrophobicContact CD2-CB 3.8Å; L958-V966 WeakPolarHBondContact CA-O 3.45Å; L958-Y967 HydrophobicContact CB-CD1 4.02Å; L958-Y967 HydrophobicContact CB-CE1 3.97Å; L958-Y967 HydrophobicContact CD1-CD1 4.27Å; L958-Y967 HydrophobicContact CD1-CD2 4.45Å; L958-Y967 HydrophobicContact CD1-CE1 4.13Å; L958-Y967 HydrophobicContact CD1-CE2 4.31Å; L958-Y967 HydrophobicContact CD1-CG 4.45Å; L958-Y967 HydrophobicContact CD2-CE1 4.1Å; L958-Y967 HydrophobicContact CG-CE1 4.29Å; L958-L980 HydrophobicContact CD1-CD1 3.94Å; L958-L980 HydrophobicContact CD1-CG 4.36Å; L958-L980 HydrophobicContact CD2-CD1 3.78Å; L958-L980 HydrophobicContact CG-CD1 4.5Å; L958-I997 HydrophobicContact CD2-CD1 3.87Å; L958-V1010 HydrophobicContact CD2-CG1 4.09Å
959L95.7Very high91.6Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-102.6123.7179.9-55.7177.8000108.6F918 I931 H932 I946 L957 G965 V966 V968F918-L959 HydrophobicContact CB-CD1 3.73Å; F918-L959 HydrophobicContact CB-CD2 4.45Å; F918-L959 HydrophobicContact CD1-CB 4.26Å; F918-L959 HydrophobicContact CD1-CD1 4.27Å; F918-L959 HydrophobicContact CD1-CD2 3.79Å; F918-L959 HydrophobicContact CD1-CG 4.33Å; F918-L959 HydrophobicContact CD2-CB 4.25Å; F918-L959 HydrophobicContact CD2-CD1 4.09Å; F918-L959 HydrophobicContact CE1-CB 4.16Å; F918-L959 HydrophobicContact CE1-CD2 4.22Å; F918-L959 HydrophobicContact CE2-CB 4.2Å; F918-L959 HydrophobicContact CG-CB 4.29Å; F918-L959 HydrophobicContact CG-CD1 3.79Å; F918-L959 HydrophobicContact CG-CD2 4.17Å; F918-L959 HydrophobicContact CG-CG 4.31Å; F918-L959 HydrophobicContact CZ-CB 4.13Å; I931-L959 HydrophobicContact CG2-CD1 4.18Å; H932-L959 HydrophobicContact CB-CD1 3.7Å; I946-L959 HydrophobicContact CB-CD2 4.44Å; I946-L959 HydrophobicContact CG1-CD2 4.12Å; I946-L959 HydrophobicContact CG2-CD2 4.02Å; L957-L959 HydrophobicContact CB-CD2 4.02Å; L957-L959 HydrophobicContact CB-CG 4.34Å; L957-L959 HydrophobicContact CD1-CD2 4.17Å; L959-G965 CarbonylContact O-C 3.51Å; L959-G965 VanDerWaalsContact O-CA 3.29Å; L959-G965 WeakPolarHBondContact O-CA 3.49Å; L959-V966 HydrophobicContact CB-CG2 3.94Å; L959-V966 HydrophobicContact CD1-CG2 4.46Å; L959-V966 PolarHBondContact N-O 3.39Å; L959-V966 PolarHBondContact O-N 2.99Å; L959-V968 HydrophobicContact CD1-CG2 3.54Å; L959-V968 HydrophobicContact CG-CG2 3.85Å
960C95.4Very high91.6Very high0 Ų026.5 Ų26.50%015%0.149CC..EExtended strand (participates in β ladder)trans-118.6123.8-176.8-53.60000111H944 C945 E964 W982 V989 I997H944-C960 PolarHBondContact N-O 2.79Å; C945-C960 PolarHBondContact N-O 3.34Å; C945-C960 PolarHBondContact O-N 2.85Å; C960-E964 WeakPolarHBondContact CA-O 3.27Å; C960-W982 HydrophobicContact CB-CH2 4Å; C960-W982 HydrophobicContact CB-CZ3 4.19Å; C960-V989 HydrophobicContact CB-CG1 4.38Å; C960-I997 WeakPolarHBondContact SG-CD1 3.39Å
961Y94.7Very high91.9Very high3 Ų329.2 Ų29.21%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-141.514318057-85.6000109.1F918 H932 P934 I941 V942 N963 E964 V966F918-Y961 HydrophobicContact CD2-CD1 4.49Å; F918-Y961 AromaticContact CE2-CD1 3.53Å; F918-Y961 HydrophobicContact CE2-CD1 3.53Å; F918-Y961 HydrophobicContact CE2-CE1 4.44Å; F918-Y961 HydrophobicContact CE2-CG 4.04Å; F918-Y961 HydrophobicContact CZ-CD1 4.14Å; H932-Y961 AromaticContact CD2-CE1 3.66Å; H932-Y961 AromaticContact NE2-CE1 3.54Å; H932-Y961 AromaticContact NE2-CZ 3.65Å; H932-Y961 PolarHBondContact NE2-OH 2.91Å; P934-Y961 HydrophobicContact CB-CE2 4.12Å; P934-Y961 HydrophobicContact CG-CD2 4.25Å; P934-Y961 HydrophobicContact CG-CE1 4.17Å; P934-Y961 HydrophobicContact CG-CE2 3.72Å; I941-Y961 HydrophobicContact CB-CD2 4.32Å; I941-Y961 HydrophobicContact CD1-CG 4.22Å; I941-Y961 HydrophobicContact CG2-CD2 4.08Å; V942-Y961 CarbonylContact O-C 3.45Å; V942-Y961 VanDerWaalsContact O-CA 3.27Å; V942-Y961 WeakPolarHBondContact O-CA 3.26Å; Y961-N963 PolarHBondContact O-N 3.21Å; Y961-E964 HydrophobicContact CD2-CB 4.31Å; Y961-E964 HydrophobicContact CE1-CB 4.38Å; Y961-E964 HydrophobicContact CE2-CB 3.75Å; Y961-E964 HydrophobicContact CE2-CG 4.43Å; Y961-E964 VanDerWaalsContact CE2-OE2 3.25Å; Y961-E964 WeakPolarHBondContact CE2-OE2 3.47Å; Y961-E964 VanDerWaalsContact CZ-OE2 3.24Å; Y961-E964 PolarHBondContact N-O 2.92Å; Y961-E964 WeakPolarHBondContact O-CA 3.29Å; Y961-E964 PolarHBondContact O-N 3Å; Y961-E964 PolarHBondContact OH-OE2 2.86Å; Y961-V966 HydrophobicContact CE1-CG1 4.17Å; Y961-V966 HydrophobicContact CE1-CG2 4.1Å
962D93.3Very high92.3Very high26 Ų2623.3 Ų23.314%0.13913%0.129CC..THydrogen-bonded Turntrans48.6-125.1-180-55.8-60.2000111.4I941 V942 H944 M985 P986I941-D962 VanDerWaalsContact CA-OD2 3.26Å; I941-D962 WeakPolarHBondContact CA-OD2 3.34Å; I941-D962 VanDerWaalsContact CB-OD2 3.26Å; I941-D962 WeakPolarHBondContact CB-OD2 3.23Å; I941-D962 WeakPolarHBondContact CG2-OD2 3.44Å; V942-D962 VanDerWaalsContact CB-OD1 3.26Å; V942-D962 WeakPolarHBondContact CB-OD1 3.36Å; V942-D962 WeakPolarHBondContact CG2-OD1 3.48Å; V942-D962 PolarHBondContact N-OD1 3.39Å; V942-D962 PolarHBondContact N-OD2 2.94Å; V942-D962 VanDerWaalsContact N-OD2 3.15Å; V942-D962 PolarHBondContact O-N 2.85Å; H944-D962 PolarHBondContact CD2-O 2.91Å; H944-D962 PolarHBondContact NE2-O 3.17Å; D962-M985 HydrophobicContact CB-CE 4Å; D962-M985 HydrophobicContact CB-SD 3.95Å; D962-P986 VanDerWaalsContact O-CD 3.28Å; D962-P986 WeakPolarHBondContact O-CD 3.48Å; D962-P986 WeakPolarHBondContact O-CG 3.39Å
963N92.4Very high92.6Very high45 Ų4529.1 Ų29.124%0.24115%0.152CC..THydrogen-bonded Turntrans-99.420.5174.371.9-58.1000114Y961 Q981 W982 M985Y961-N963 PolarHBondContact O-N 3.21Å; N963-Q981 PolarHBondContact ND2-NE2 2.61Å; N963-Q981 VanDerWaalsContact ND2-NE2 3.13Å; N963-Q981 WeakPolarHBondContact O-CA 3.38Å; N963-W982 HydrophobicContact CB-CB 4.47Å; N963-W982 PolarHBondContact O-N 2.82Å; N963-M985 HydrophobicContact CB-CE 4.12Å; N963-M985 HydrophobicContact CB-SD 4.08Å
964E93.1Very high93Very high27 Ų2730.4 Ų30.413%0.12615%0.153CC..EExtended strand (participates in β ladder)trans-122.7148.6-176-74.6-178.6-172.500114.3H936 C960 Y961 V979 L980 Q981 W982H936-E964 IonicContact CD2-OE1 2.76Å; H936-E964 IonicContact CE1-OE1 2.66Å; H936-E964 IonicContact CE1-OE2 2.79Å; H936-E964 PolarHBondContact CE1-OE2 3.15Å; H936-E964 VanDerWaalsContact NE2-CD 3.28Å; H936-E964 IonicContact NE2-OE1 3.63Å; H936-E964 PolarHBondContact NE2-OE1 2.83Å; H936-E964 IonicContact NE2-OE2 3.67Å; H936-E964 PolarHBondContact NE2-OE2 3.28Å; C960-E964 WeakPolarHBondContact CA-O 3.27Å; Y961-E964 HydrophobicContact CD2-CB 4.31Å; Y961-E964 HydrophobicContact CE1-CB 4.38Å; Y961-E964 HydrophobicContact CE2-CB 3.75Å; Y961-E964 HydrophobicContact CE2-CG 4.43Å; Y961-E964 VanDerWaalsContact CE2-OE2 3.25Å; Y961-E964 WeakPolarHBondContact CE2-OE2 3.47Å; Y961-E964 VanDerWaalsContact CZ-OE2 3.24Å; Y961-E964 PolarHBondContact N-O 2.92Å; Y961-E964 WeakPolarHBondContact O-CA 3.29Å; Y961-E964 PolarHBondContact O-N 3Å; Y961-E964 PolarHBondContact OH-OE2 2.86Å; E964-V979 HydrophobicContact CB-CG1 4.46Å; E964-V979 HydrophobicContact CG-CG1 4.38Å; E964-L980 CarbonylContact C-O 3.57Å; E964-L980 VanDerWaalsContact CA-O 3.3Å; E964-L980 WeakPolarHBondContact CA-O 3.4Å; E964-Q981 PolarHBondContact OE1-NE2 2.85Å; E964-W982 WeakPolarHBondContact O-CZ3 3.3Å
965G93.9Very high93.3Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-137.4115.4171.500000112L959 L980L959-G965 CarbonylContact O-C 3.51Å; L959-G965 VanDerWaalsContact O-CA 3.29Å; L959-G965 WeakPolarHBondContact O-CA 3.49Å; G965-L980 PolarHBondContact N-O 2.85Å; G965-L980 PolarHBondContact O-N 2.91Å
966V94.6Very high93.2Very high5 Ų532.1 Ų32.13%0.0316%0.159CC..EExtended strand (participates in β ladder)trans-107.1140.4-177.4-60.30000112L958 L959 Y961 V968 M974 V979L958-V966 WeakPolarHBondContact CA-O 3.45Å; L959-V966 HydrophobicContact CB-CG2 3.94Å; L959-V966 HydrophobicContact CD1-CG2 4.46Å; L959-V966 PolarHBondContact N-O 3.39Å; L959-V966 PolarHBondContact O-N 2.99Å; Y961-V966 HydrophobicContact CE1-CG1 4.17Å; Y961-V966 HydrophobicContact CE1-CG2 4.1Å; V966-V968 HydrophobicContact CG2-CG1 4.22Å; V966-M974 HydrophobicContact CB-CE 4.3Å; V966-V979 HydrophobicContact CG1-CG1 4.32Å; V966-V979 HydrophobicContact CG1-CG2 4.43Å
967Y95Very high92.8Very high1 Ų137 Ų370%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-96.2114.4175.2-67.3-84.5000110.4L949 L957 L958 M974 T975 K976 V978 L980 V1010L949-Y967 HydrophobicContact CD1-CD1 4.02Å; L949-Y967 HydrophobicContact CD1-CE1 4.38Å; L949-Y967 HydrophobicContact CD2-CE1 4.38Å; L957-Y967 WeakPolarHBondContact O-CA 3.34Å; L958-Y967 HydrophobicContact CB-CD1 4.02Å; L958-Y967 HydrophobicContact CB-CE1 3.97Å; L958-Y967 HydrophobicContact CD1-CD1 4.27Å; L958-Y967 HydrophobicContact CD1-CD2 4.45Å; L958-Y967 HydrophobicContact CD1-CE1 4.13Å; L958-Y967 HydrophobicContact CD1-CE2 4.31Å; L958-Y967 HydrophobicContact CD1-CG 4.45Å; L958-Y967 HydrophobicContact CD2-CE1 4.1Å; L958-Y967 HydrophobicContact CG-CE1 4.29Å; Y967-M974 CarbonylContact O-C 3.46Å; Y967-M974 WeakPolarHBondContact O-CA 3.16Å; Y967-M974 WeakPolarHBondContact O-CE 3.23Å; Y967-T975 PolarHBondContact O-N 2.93Å; Y967-T975 PolarHBondContact O-OG1 2.78Å; Y967-K976 HydrophobicContact CD1-CD 3.86Å; Y967-K976 HydrophobicContact CD1-CG 4.5Å; Y967-K976 HydrophobicContact CD2-CB 4.13Å; Y967-K976 HydrophobicContact CD2-CD 3.93Å; Y967-K976 HydrophobicContact CD2-CG 4.41Å; Y967-K976 HydrophobicContact CE1-CD 4.15Å; Y967-K976 HydrophobicContact CE2-CD 4.22Å; Y967-K976 HydrophobicContact CG-CB 4.12Å; Y967-K976 HydrophobicContact CG-CD 3.72Å; Y967-K976 HydrophobicContact CG-CG 4.05Å; Y967-V978 WeakPolarHBondContact CD2-O 3.35Å; Y967-L980 HydrophobicContact CE2-CD2 3.99Å; Y967-L980 HydrophobicContact CE2-CG 4.12Å; Y967-V1010 VanDerWaalsContact CE1-O 3.23Å; Y967-V1010 WeakPolarHBondContact CE1-O 3.29Å; Y967-V1010 PolarHBondContact OH-O 2.79Å
968V95Very high92.4Very high0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-127.9175.7179.5-60.40000111I931 L957 L959 V966 K973 M974 T975I931-V968 HydrophobicContact CG2-CG2 3.78Å; L957-V968 HydrophobicContact CB-CG2 3.98Å; L957-V968 HydrophobicContact CD1-CG2 4.47Å; L957-V968 PolarHBondContact N-O 2.8Å; L957-V968 PolarHBondContact O-N 3.21Å; L957-V968 VanDerWaalsContact O-O 3.13Å; L959-V968 HydrophobicContact CD1-CG2 3.54Å; L959-V968 HydrophobicContact CG-CG2 3.85Å; V966-V968 HydrophobicContact CG2-CG1 4.22Å; V968-K973 CarbonylContact C-O 3.59Å; V968-K973 VanDerWaalsContact CA-O 3.27Å; V968-K973 WeakPolarHBondContact CA-O 3.39Å; V968-M974 HydrophobicContact CG1-SD 3.7Å; V968-T975 VanDerWaalsContact C-CG2 3.42Å; V968-T975 PolarHBondContact N-OG1 3.25Å; V968-T975 WeakPolarHBondContact O-CG2 3.22Å; V968-T975 PolarHBondContact O-OG1 2.88Å; V968-T975 VanDerWaalsContact O-OG1 3.13Å
969N93.5Very high92Very high33 Ų3343.9 Ų43.918%0.17623%0.229CC..EExtended strand (participates in β ladder)trans-102.2169.8158.673.47.9000110.8I931 M955 Y971 G972 K973 T975I931-N969 WeakPolarHBondContact CG2-O 3.31Å; M955-N969 CarbonylContact O-C 3.54Å; M955-N969 WeakPolarHBondContact O-CA 3.28Å; M955-N969 VanDerWaalsContact O-CB 3.27Å; M955-N969 WeakPolarHBondContact O-CB 3.16Å; N969-Y971 PolarHBondContact O-N 3.35Å; N969-Y971 WeakPolarHBondContact OD1-CA 3.43Å; N969-Y971 WeakPolarHBondContact OD1-CB 3.22Å; N969-Y971 PolarHBondContact OD1-N 3.28Å; N969-G972 PolarHBondContact O-N 3.44Å; N969-G972 PolarHBondContact OD1-N 3.04Å; N969-G972 VanDerWaalsContact OD1-N 3.13Å; N969-K973 PolarHBondContact N-O 3.13Å; N969-K973 PolarHBondContact OD1-N 2.94Å; N969-T975 HydrophobicContact CB-CG2 3.76Å
970T91.6Very high91.8Very high0 Ų044 Ų440%023%0.229CC..THydrogen-bonded Turntrans-63-0.6175.348.30000115.1T901 E903 Y929 G954 M955 L957T901-T970 HydrophobicContact CG2-CG2 3.91Å; E903-T970 WeakPolarHBondContact OE1-CB 3.45Å; E903-T970 WeakPolarHBondContact OE1-CG2 3.43Å; E903-T970 PolarHBondContact OE1-OG1 3.02Å; Y929-T970 WeakPolarHBondContact CE2-O 3.49Å; G954-T970 WeakPolarHBondContact O-CG2 3.38Å; M955-T970 PolarHBondContact O-N 2.73Å; M955-T970 PolarHBondContact O-OG1 3.16Å; L957-T970 HydrophobicContact CD1-CG2 4Å; L957-T970 HydrophobicContact CD2-CG2 4.16Å; L957-T970 HydrophobicContact CG-CG2 4.07Å
971Y91.1Very high91.6Very high105 Ų10548.2 Ų48.241%0.41225%0.249SC..THydrogen-bonded Turntrans-115.115.7176.4-60.4-97.6000111.7E903 K909 M955 N969 K973E903-Y971 WeakPolarHBondContact OE1-CE2 3.46Å; E903-Y971 PolarHBondContact OE2-OH 3.34Å; K909-Y971 PolarHBondContact NZ-OH 3.42Å; M955-Y971 HydrophobicContact CE-CE2 3.84Å; M955-Y971 HydrophobicContact SD-CE2 4.26Å; N969-Y971 PolarHBondContact O-N 3.35Å; N969-Y971 WeakPolarHBondContact OD1-CA 3.43Å; N969-Y971 WeakPolarHBondContact OD1-CB 3.22Å; N969-Y971 PolarHBondContact OD1-N 3.28Å; Y971-K973 VanDerWaalsContact C-N 3.32Å; Y971-K973 PolarHBondContact O-N 2.89Å
972G90.7Very high91.4Very high30 Ų3048.3 Ų48.331%0.30925%0.249SC..SBendtrans74.57.5174.600000116.7I931 N969I931-G972 WeakPolarHBondContact O-CA 3.13Å; N969-G972 PolarHBondContact O-N 3.44Å; N969-G972 PolarHBondContact OD1-N 3.04Å; N969-G972 VanDerWaalsContact OD1-N 3.13Å
973K92.9Very high91.1Very high149 Ų14950.6 Ų50.665%0.64828%0.279SS*.  trans-85.2132.2174.3-59.6-170.6178.3-174.20110.2V968 N969 Y971 T975V968-K973 CarbonylContact C-O 3.59Å; V968-K973 VanDerWaalsContact CA-O 3.27Å; V968-K973 WeakPolarHBondContact CA-O 3.39Å; N969-K973 PolarHBondContact N-O 3.13Å; N969-K973 PolarHBondContact OD1-N 2.94Å; Y971-K973 VanDerWaalsContact C-N 3.32Å; Y971-K973 PolarHBondContact O-N 2.89Å; K973-T975 PolarHBondContact O-N 3.13Å
974M92.2Very high90.9Very high88 Ų8850.4 Ų50.443%0.43328%0.277SS..EExtended strand (participates in β ladder)trans-55.5134171-67.2-62.5-64.200110.7V966 Y967 V968V966-M974 HydrophobicContact CB-CE 4.3Å; Y967-M974 CarbonylContact O-C 3.46Å; Y967-M974 WeakPolarHBondContact O-CA 3.16Å; Y967-M974 WeakPolarHBondContact O-CE 3.23Å; V968-M974 HydrophobicContact CG1-SD 3.7Å
975T90.7Very high90.6Very high43 Ų4353.5 Ų53.526%0.26429%0.292SS..EExtended strand (participates in β ladder)trans-107.1-15.9-179.949.10000113.4Q956 Y967 V968 N969 K973Q956-T975 HydrophobicContact CG-CG2 4.01Å; Y967-T975 PolarHBondContact O-N 2.93Å; Y967-T975 PolarHBondContact O-OG1 2.78Å; V968-T975 VanDerWaalsContact C-CG2 3.42Å; V968-T975 PolarHBondContact N-OG1 3.25Å; V968-T975 WeakPolarHBondContact O-CG2 3.22Å; V968-T975 PolarHBondContact O-OG1 2.88Å; V968-T975 VanDerWaalsContact O-OG1 3.13Å; N969-T975 HydrophobicContact CB-CG2 3.76Å; K973-T975 PolarHBondContact O-N 3.13Å
976K89.3Confident90.5Very high55 Ų5553.7 Ų53.724%0.23929%0.294CS..EExtended strand (participates in β ladder)trans-143.6143.5170.7-52.7179.8-168.5167.40109.9Y967 V978 E1011Y967-K976 HydrophobicContact CD1-CD 3.86Å; Y967-K976 HydrophobicContact CD1-CG 4.5Å; Y967-K976 HydrophobicContact CD2-CB 4.13Å; Y967-K976 HydrophobicContact CD2-CD 3.93Å; Y967-K976 HydrophobicContact CD2-CG 4.41Å; Y967-K976 HydrophobicContact CE1-CD 4.15Å; Y967-K976 HydrophobicContact CE2-CD 4.22Å; Y967-K976 HydrophobicContact CG-CB 4.12Å; Y967-K976 HydrophobicContact CG-CD 3.72Å; Y967-K976 HydrophobicContact CG-CG 4.05Å; K976-V978 PolarHBondContact O-N 2.87Å; K976-V978 VanDerWaalsContact O-N 3.07Å; K976-E1011 PolarHBondContact NZ-O 3.32Å
977N83.8Confident90.1Very high167 Ų16755.2 Ų55.289%0.89330%0.303SS*.EExtended strand (participates in β ladder)trans-82.329.8175.8-61.8-3.7000112.4
978V85.4Confident89.8Confident72 Ų7256 Ų5644%0.43631%0.308SS..EExtended strand (participates in β ladder)trans-121.9130-178.91780000107.6Y967 K976Y967-V978 WeakPolarHBondContact CD2-O 3.35Å; K976-V978 PolarHBondContact O-N 2.87Å; K976-V978 VanDerWaalsContact O-N 3.07Å
979V88.3Confident89.7Confident73 Ų7356.4 Ų56.444%0.44231%0.311SS..EExtended strand (participates in β ladder)trans-106.6130.9170.1-1790000107.7E964 V966E964-V979 HydrophobicContact CB-CG1 4.46Å; E964-V979 HydrophobicContact CG-CG1 4.38Å; V966-V979 HydrophobicContact CG1-CG1 4.32Å; V966-V979 HydrophobicContact CG1-CG2 4.43Å
980L90.3Very high89.7Confident1 Ų155.2 Ų55.21%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-73.4128.4167.4-52.3-173.4000108L958 E964 G965 Y967 I997L958-L980 HydrophobicContact CD1-CD1 3.94Å; L958-L980 HydrophobicContact CD1-CG 4.36Å; L958-L980 HydrophobicContact CD2-CD1 3.78Å; L958-L980 HydrophobicContact CG-CD1 4.5Å; E964-L980 CarbonylContact C-O 3.57Å; E964-L980 VanDerWaalsContact CA-O 3.3Å; E964-L980 WeakPolarHBondContact CA-O 3.4Å; G965-L980 PolarHBondContact N-O 2.85Å; G965-L980 PolarHBondContact O-N 2.91Å; Y967-L980 HydrophobicContact CE2-CD2 3.99Å; Y967-L980 HydrophobicContact CE2-CG 4.12Å; L980-I997 HydrophobicContact CD1-CG2 4Å
981Q91Very high89.7Confident90 Ų9059.1 Ų59.142%0.42132%0.321SS..EExtended strand (participates in β ladder)trans-123.7121.4171.4-159.3111.555.100109.4N963 E964 R1008N963-Q981 PolarHBondContact ND2-NE2 2.61Å; N963-Q981 VanDerWaalsContact ND2-NE2 3.13Å; N963-Q981 WeakPolarHBondContact O-CA 3.38Å; E964-Q981 PolarHBondContact OE1-NE2 2.85Å; Q981-R1008 VanDerWaalsContact O-CZ 3.26Å; Q981-R1008 PolarHBondContact O-NH2 3.07Å
982W90.8Very high89.6Confident5 Ų554.2 Ų54.22%0.01930%0.302CS..  trans-79.5137.7171.1-72.3-78.4000110.1C960 N963 E964 E984 P986 V989 I997 E1006C960-W982 HydrophobicContact CB-CH2 4Å; C960-W982 HydrophobicContact CB-CZ3 4.19Å; N963-W982 HydrophobicContact CB-CB 4.47Å; N963-W982 PolarHBondContact O-N 2.82Å; E964-W982 WeakPolarHBondContact O-CZ3 3.3Å; W982-E984 VanDerWaalsContact C-N 3.29Å; W982-E984 WeakPolarHBondContact CB-O 3.26Å; W982-E984 PolarHBondContact O-N 3.12Å; W982-P986 HydrophobicContact CB-CG 4.45Å; W982-P986 HydrophobicContact CD2-CG 4.21Å; W982-P986 HydrophobicContact CE3-CG 4.12Å; W982-P986 HydrophobicContact CG-CG 4.33Å; W982-V989 HydrophobicContact CE3-CG2 4.42Å; W982-V989 HydrophobicContact CH2-CG1 3.63Å; W982-V989 HydrophobicContact CH2-CG2 4.09Å; W982-V989 HydrophobicContact CZ2-CG1 3.59Å; W982-V989 HydrophobicContact CZ2-CG2 4.21Å; W982-V989 HydrophobicContact CZ3-CG1 4.48Å; W982-V989 HydrophobicContact CZ3-CG2 4.17Å; W982-I997 HydrophobicContact CH2-CD1 4.06Å; W982-I997 HydrophobicContact CZ2-CD1 4.1Å; W982-I997 HydrophobicContact CZ2-CG1 4.2Å; W982-I997 HydrophobicContact CZ2-CG2 4.48Å; W982-E1006 VanDerWaalsContact CD1-OE2 3.29Å
983G87.1Confident89.2Confident74 Ų7456.2 Ų56.276%0.76331%0.311SS*.SBendtrans-76-13.7-175.700000114.3E1006G983-E1006 WeakPolarHBondContact CA-OE1 3.39Å; G983-E1006 PolarHBondContact N-OE1 2.89Å
984E88Confident88.7Confident40 Ų4052 Ų5219%0.18730%0.298CS..SBendtrans-135.9155.4158.168.2174146.200110W982 P986 G1001 N1002 K1003 A1004W982-E984 VanDerWaalsContact C-N 3.29Å; W982-E984 WeakPolarHBondContact CB-O 3.26Å; W982-E984 PolarHBondContact O-N 3.12Å; E984-P986 VanDerWaalsContact O-CD 3.26Å; E984-P986 WeakPolarHBondContact O-CD 3.5Å; E984-P986 VanDerWaalsContact O-N 3.09Å; E984-G1001 WeakPolarHBondContact OE1-CA 3.22Å; E984-N1002 PolarHBondContact OE1-N 3.4Å; E984-N1002 VanDerWaalsContact OE1-N 3.08Å; E984-N1002 PolarHBondContact OE2-N 3.13Å; E984-K1003 WeakPolarHBondContact OE1-CA 3.48Å; E984-K1003 WeakPolarHBondContact OE1-CB 3.32Å; E984-K1003 PolarHBondContact OE1-N 3.22Å; E984-K1003 PolarHBondContact OE2-N 2.92Å; E984-A1004 PolarHBondContact OE1-N 2.87Å
985M88Confident88.3Confident93 Ų9349 Ų4946%0.45829%0.29SS..  trans-56.1112.3177.8-174.660.969.700110.8D962 N963D962-M985 HydrophobicContact CB-CE 4Å; D962-M985 HydrophobicContact CB-SD 3.95Å; N963-M985 HydrophobicContact CB-CE 4.12Å; N963-M985 HydrophobicContact CB-SD 4.08Å
986P90.6Very high88.2Confident4 Ų448.5 Ų48.53%0.02629%0.285CS..  trans-71.5140.1-177.830-33.5000110H944 D962 W982 E984 V989H944-P986 PolarHBondContact CE1-O 2.92Å; H944-P986 PolarHBondContact NE2-O 3.08Å; D962-P986 VanDerWaalsContact O-CD 3.28Å; D962-P986 WeakPolarHBondContact O-CD 3.48Å; D962-P986 WeakPolarHBondContact O-CG 3.39Å; W982-P986 HydrophobicContact CB-CG 4.45Å; W982-P986 HydrophobicContact CD2-CG 4.21Å; W982-P986 HydrophobicContact CE3-CG 4.12Å; W982-P986 HydrophobicContact CG-CG 4.33Å; E984-P986 VanDerWaalsContact O-CD 3.26Å; E984-P986 WeakPolarHBondContact O-CD 3.5Å; E984-P986 VanDerWaalsContact O-N 3.09Å; P986-V989 HydrophobicContact CB-CG2 3.66Å; P986-V989 HydrophobicContact CG-CG2 3.5Å
987T86.6Confident88.3Confident36 Ų3645.9 Ų45.922%0.22127%0.273CS..SBendtrans-97-9.4178.975.70000113.2W1000 K1026 L1027T987-W1000 PolarHBondContact N-O 2.9Å; T987-W1000 PolarHBondContact OG1-O 3.03Å; T987-W1000 VanDerWaalsContact OG1-O 3.12Å; T987-K1026 HydrophobicContact CG2-CD 4.36Å; T987-K1026 HydrophobicContact CG2-CG 4.03Å; T987-L1027 PolarHBondContact OG1-O 2.92Å
988S89.4Confident88.8Confident17 Ų1738 Ų3812%0.11923%0.231CC..EExtended strand (participates in β ladder)trans-154.1146.2153.954.20000108.5W1000 F1029S988-W1000 PolarHBondContact O-N 3.02Å; S988-F1029 PolarHBondContact OG-N 3.06Å
989V93.6Very high89.1Confident10 Ų1034.7 Ų34.76%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-116.7144.4166-176.70000107.9H944 C960 W982 P986 I997 M998H944-V989 HydrophobicContact CB-CB 3.83Å; H944-V989 HydrophobicContact CB-CG2 3.98Å; C960-V989 HydrophobicContact CB-CG1 4.38Å; W982-V989 HydrophobicContact CE3-CG2 4.42Å; W982-V989 HydrophobicContact CH2-CG1 3.63Å; W982-V989 HydrophobicContact CH2-CG2 4.09Å; W982-V989 HydrophobicContact CZ2-CG1 3.59Å; W982-V989 HydrophobicContact CZ2-CG2 4.21Å; W982-V989 HydrophobicContact CZ3-CG1 4.48Å; W982-V989 HydrophobicContact CZ3-CG2 4.17Å; P986-V989 HydrophobicContact CB-CG2 3.66Å; P986-V989 HydrophobicContact CG-CG2 3.5Å; V989-I997 HydrophobicContact CG1-CD1 3.61Å; V989-I997 HydrophobicContact CG1-CG1 3.59Å; V989-M998 VanDerWaalsContact CA-O 3.32Å; V989-M998 WeakPolarHBondContact CA-O 3.5Å; V989-M998 WeakPolarHBondContact CG1-O 3.26Å
990A92.5Very high89.3Confident8 Ų831.2 Ų31.27%0.06619%0.19CC..EExtended strand (participates in β ladder)trans-149136.4173.300000112.2M998 W1000 F1029A990-M998 PolarHBondContact N-O 3.23Å; A990-M998 PolarHBondContact O-N 2.62Å; A990-W1000 HydrophobicContact CB-CH2 4.09Å; A990-W1000 HydrophobicContact CB-CZ3 3.7Å; A990-F1029 HydrophobicContact CB-CD1 3.6Å; A990-F1029 HydrophobicContact CB-CD2 4.2Å; A990-F1029 HydrophobicContact CB-CE1 3.64Å; A990-F1029 HydrophobicContact CB-CE2 4.22Å; A990-F1029 HydrophobicContact CB-CG 3.87Å; A990-F1029 HydrophobicContact CB-CZ 3.94Å
991Y91.4Very high89.1Confident81 Ų8131.2 Ų31.232%0.31819%0.191SC..EExtended strand (participates in β ladder)trans-78.1133.5160.8177-120.3000109.4V947 Q996 V1010V947-Y991 HydrophobicContact CG1-CD1 3.86Å; V947-Y991 HydrophobicContact CG1-CD2 3.94Å; V947-Y991 HydrophobicContact CG1-CE1 4.32Å; V947-Y991 HydrophobicContact CG1-CE2 4.38Å; V947-Y991 HydrophobicContact CG1-CG 3.64Å; V947-Y991 HydrophobicContact CG2-CG 4.42Å; Y991-Q996 WeakPolarHBondContact CA-O 3.31Å; Y991-Q996 WeakPolarHBondContact CD2-O 3.45Å; Y991-V1010 HydrophobicContact CD2-CB 4.41Å; Y991-V1010 HydrophobicContact CD2-CG2 3.47Å; Y991-V1010 VanDerWaalsContact CD2-CG2 3.47Å; Y991-V1010 HydrophobicContact CE2-CB 4.11Å; Y991-V1010 HydrophobicContact CE2-CG1 4.29Å; Y991-V1010 HydrophobicContact CE2-CG2 3.6Å
992I88.7Confident88.7Confident2 Ų229.7 Ų29.71%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-120.5158.9-17554.3158.6000112T994 G995 Q996 M998 F1029 D1032 V1037 L1055I992-T994 WeakPolarHBondContact CD1-OG1 3.26Å; I992-T994 PolarHBondContact O-N 3.2Å; I992-G995 PolarHBondContact O-N 2.75Å; I992-Q996 HydrophobicContact CD1-CB 4.23Å; I992-Q996 HydrophobicContact CG1-CB 4.1Å; I992-Q996 VanDerWaalsContact CG1-O 3.22Å; I992-Q996 WeakPolarHBondContact CG1-O 3.47Å; I992-Q996 PolarHBondContact N-O 2.91Å; I992-M998 HydrophobicContact CD1-CG 4.03Å; I992-M998 HydrophobicContact CD1-SD 3.64Å; I992-M998 HydrophobicContact CG1-CG 4.35Å; I992-M998 HydrophobicContact CG1-SD 4.39Å; I992-M998 HydrophobicContact CG2-SD 4.34Å; I992-F1029 HydrophobicContact CG2-CE2 4.22Å; I992-D1032 HydrophobicContact CB-CB 4.39Å; I992-D1032 HydrophobicContact CG2-CB 4.06Å; I992-V1037 HydrophobicContact CD1-CG2 3.93Å; I992-V1037 HydrophobicContact CG2-CG2 4.26Å; I992-L1055 HydrophobicContact CD1-CD1 3.24Å
993S83.3Confident88.4Confident73 Ų7335.6 Ų35.651%0.5121%0.212SC..THydrogen-bonded Turntrans-66.62.3-171.950.80000116.6D1032 N1034S993-D1032 VanDerWaalsContact CB-OD2 3.31Å; S993-D1032 WeakPolarHBondContact CB-OD2 3.44Å; S993-D1032 PolarHBondContact N-OD2 3.31Å; S993-D1032 PolarHBondContact OG-OD2 3.38Å; S993-N1034 WeakPolarHBondContact OG-CA 3.17Å; S993-N1034 PolarHBondContact OG-N 3.22Å; S993-N1034 PolarHBondContact OG-O 3.29Å
994T81Confident88.4Confident60 Ų6032.5 Ų32.537%0.36818%0.178SC..THydrogen-bonded Turntrans-87.8-4.6166.9560000114.3I992 Q996 L1055I992-T994 WeakPolarHBondContact CD1-OG1 3.26Å; I992-T994 PolarHBondContact O-N 3.2Å; T994-Q996 PolarHBondContact OG1-OE1 2.88Å; T994-L1055 HydrophobicContact CG2-CB 4.21Å; T994-L1055 HydrophobicContact CG2-CD1 3.93Å
995G84.1Confident88.4Confident26 Ų2630.7 Ų30.727%0.26817%0.17SC..THydrogen-bonded Turntrans9112.7-17700000114.5I992 V1010I992-G995 PolarHBondContact O-N 2.75Å; G995-V1010 WeakPolarHBondContact O-CB 3.21Å; G995-V1010 WeakPolarHBondContact O-CG2 3.49Å; G995-V1010 PolarHBondContact O-N 3.45Å
996Q88.8Confident88.6Confident32 Ų3227 Ų2715%0.1515%0.152CC..EExtended strand (participates in β ladder)trans-111.7154.2-175.1-70.5161.6-3900111.4Y991 I992 T994 I1007 D1016 W1063Y991-Q996 WeakPolarHBondContact CA-O 3.31Å; Y991-Q996 WeakPolarHBondContact CD2-O 3.45Å; I992-Q996 HydrophobicContact CD1-CB 4.23Å; I992-Q996 HydrophobicContact CG1-CB 4.1Å; I992-Q996 VanDerWaalsContact CG1-O 3.22Å; I992-Q996 WeakPolarHBondContact CG1-O 3.47Å; I992-Q996 PolarHBondContact N-O 2.91Å; T994-Q996 PolarHBondContact OG1-OE1 2.88Å; Q996-I1007 HydrophobicContact CB-CG2 3.72Å; Q996-I1007 HydrophobicContact CG-CG2 4.19Å; Q996-D1016 PolarHBondContact NE2-OD2 2.83Å; Q996-W1063 VanDerWaalsContact NE2-CZ2 3.33Å
997I92.5Very high88.6Confident0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-111.4127.6170.5-167.1169000109.8V947 L958 C960 L980 W982 V989 R1008 V1010V947-I997 HydrophobicContact CG2-CD1 4.33Å; L958-I997 HydrophobicContact CD2-CD1 3.87Å; C960-I997 WeakPolarHBondContact SG-CD1 3.39Å; L980-I997 HydrophobicContact CD1-CG2 4Å; W982-I997 HydrophobicContact CH2-CD1 4.06Å; W982-I997 HydrophobicContact CZ2-CD1 4.1Å; W982-I997 HydrophobicContact CZ2-CG1 4.2Å; W982-I997 HydrophobicContact CZ2-CG2 4.48Å; V989-I997 HydrophobicContact CG1-CD1 3.61Å; V989-I997 HydrophobicContact CG1-CG1 3.59Å; I997-R1008 HydrophobicContact CG2-CB 3.97Å; I997-R1008 PolarHBondContact N-O 3.3Å; I997-R1008 PolarHBondContact O-N 2.83Å; I997-V1010 HydrophobicContact CB-CG2 3.64Å; I997-V1010 HydrophobicContact CG2-CG2 3.9Å
998M92.8Very high88.7Confident1 Ų126.9 Ų26.91%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-111.9136.8-177.8-60.7-17683.500110.2V989 A990 I992 W1000 I1005 E1006 I1007 V1037 M1053V989-M998 VanDerWaalsContact CA-O 3.32Å; V989-M998 WeakPolarHBondContact CA-O 3.5Å; V989-M998 WeakPolarHBondContact CG1-O 3.26Å; A990-M998 PolarHBondContact N-O 3.23Å; A990-M998 PolarHBondContact O-N 2.62Å; I992-M998 HydrophobicContact CD1-CG 4.03Å; I992-M998 HydrophobicContact CD1-SD 3.64Å; I992-M998 HydrophobicContact CG1-CG 4.35Å; I992-M998 HydrophobicContact CG1-SD 4.39Å; I992-M998 HydrophobicContact CG2-SD 4.34Å; M998-W1000 HydrophobicContact CB-CE3 4.04Å; M998-W1000 HydrophobicContact CB-CH2 3.38Å; M998-W1000 HydrophobicContact CB-CZ2 4.01Å; M998-W1000 HydrophobicContact CB-CZ3 3.39Å; M998-W1000 HydrophobicContact CE-CZ2 4.12Å; M998-W1000 HydrophobicContact CG-CH2 4.1Å; M998-W1000 VanDerWaalsContact O-CZ3 3.26Å; M998-W1000 WeakPolarHBondContact O-CZ3 3.49Å; M998-W1000 HydrophobicContact SD-CH2 3.72Å; M998-W1000 HydrophobicContact SD-CZ2 3.77Å; M998-I1005 HydrophobicContact CE-CG2 3.82Å; M998-E1006 CarbonylContact C-O 3.51Å; M998-E1006 VanDerWaalsContact CA-O 3.28Å; M998-E1006 WeakPolarHBondContact CA-O 3.47Å; M998-I1007 HydrophobicContact CB-CG1 4.46Å; M998-I1007 HydrophobicContact CE-CD1 4.03Å; M998-I1007 HydrophobicContact CE-CG1 3.47Å; M998-I1007 VanDerWaalsContact CE-CG1 3.47Å; M998-I1007 HydrophobicContact CG-CB 4.3Å; M998-I1007 HydrophobicContact CG-CG1 3.72Å; M998-I1007 HydrophobicContact CG-CG2 3.89Å; M998-I1007 HydrophobicContact SD-CG1 4.31Å; M998-V1037 HydrophobicContact SD-CG1 3.98Å; M998-V1037 HydrophobicContact SD-CG2 4.16Å; M998-M1053 HydrophobicContact CE-CE 4.39Å; M998-M1053 HydrophobicContact CE-SD 3.8Å
999G93.1Very high88.7Confident2 Ų227.1 Ų27.12%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-115.1120.917300000110.9I1005 E1006G999-I1005 WeakPolarHBondContact O-CA 3.37Å; G999-E1006 PolarHBondContact N-O 2.87Å; G999-E1006 PolarHBondContact O-N 3.43Å
1000W91Very high88.4Confident0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-99.295.6-179.8-72.1-99.1000111.2T987 S988 A990 M998 I1005 L1027 F1029 V1037 F1039T987-W1000 PolarHBondContact N-O 2.9Å; T987-W1000 PolarHBondContact OG1-O 3.03Å; T987-W1000 VanDerWaalsContact OG1-O 3.12Å; S988-W1000 PolarHBondContact O-N 3.02Å; A990-W1000 HydrophobicContact CB-CH2 4.09Å; A990-W1000 HydrophobicContact CB-CZ3 3.7Å; M998-W1000 HydrophobicContact CB-CE3 4.04Å; M998-W1000 HydrophobicContact CB-CH2 3.38Å; M998-W1000 HydrophobicContact CB-CZ2 4.01Å; M998-W1000 HydrophobicContact CB-CZ3 3.39Å; M998-W1000 HydrophobicContact CE-CZ2 4.12Å; M998-W1000 HydrophobicContact CG-CH2 4.1Å; M998-W1000 VanDerWaalsContact O-CZ3 3.26Å; M998-W1000 WeakPolarHBondContact O-CZ3 3.49Å; M998-W1000 HydrophobicContact SD-CH2 3.72Å; M998-W1000 HydrophobicContact SD-CZ2 3.77Å; W1000-I1005 HydrophobicContact CD2-CG2 4.15Å; W1000-I1005 HydrophobicContact CG-CG1 4.43Å; W1000-I1005 HydrophobicContact CG-CG2 4.07Å; W1000-L1027 HydrophobicContact CB-CB 4.23Å; W1000-L1027 VanDerWaalsContact CB-O 3.3Å; W1000-L1027 WeakPolarHBondContact CB-O 3.38Å; W1000-L1027 HydrophobicContact CG-CB 4.47Å; W1000-F1029 HydrophobicContact CD2-CB 4.05Å; W1000-F1029 HydrophobicContact CE3-CB 3.86Å; W1000-F1029 HydrophobicContact CH2-CB 3.81Å; W1000-F1029 AromaticContact CH2-CD2 3.28Å; W1000-F1029 HydrophobicContact CH2-CD2 3.28Å; W1000-F1029 HydrophobicContact CH2-CE2 4.03Å; W1000-F1029 AromaticContact CH2-CG 3.77Å; W1000-F1029 HydrophobicContact CH2-CG 3.77Å; W1000-F1029 HydrophobicContact CZ2-CB 4.02Å; W1000-F1029 AromaticContact CZ2-CD2 3.58Å; W1000-F1029 HydrophobicContact CZ2-CD2 3.58Å; W1000-F1029 HydrophobicContact CZ2-CE2 4.49Å; W1000-F1029 HydrophobicContact CZ2-CG 4.21Å; W1000-F1029 HydrophobicContact CZ3-CB 3.73Å; W1000-F1029 AromaticContact CZ3-CD2 4Å; W1000-F1029 HydrophobicContact CZ3-CD2 4Å; W1000-F1029 HydrophobicContact CZ3-CG 4Å; W1000-V1037 HydrophobicContact CH2-CG1 4.21Å; W1000-V1037 HydrophobicContact CZ2-CG1 3.67Å; W1000-F1039 AromaticContact NE1-CG 3.79Å
1001G86.4Confident87.9Confident2 Ų231.8 Ų31.82%0.02117%0.168CC..  trans-78.2-158.2173.800000113.6E984 A1004E984-G1001 WeakPolarHBondContact OE1-CA 3.22Å; G1001-A1004 PolarHBondContact N-O 2.97Å
1002N83.3Confident87.5Confident58 Ų5831.5 Ų31.531%0.3118%0.175SC..SBendtrans-99.2-18.4176.6-61.2-78.8000112.7E984 A1024 Q1025E984-N1002 PolarHBondContact OE1-N 3.4Å; E984-N1002 VanDerWaalsContact OE1-N 3.08Å; E984-N1002 PolarHBondContact OE2-N 3.13Å; N1002-A1024 CarbonylContact O-C 3.54Å; N1002-A1024 WeakPolarHBondContact O-CA 3.44Å; N1002-Q1025 PolarHBondContact O-N 2.77Å; N1002-Q1025 VanDerWaalsContact O-O 3.12Å
1003K83.6Confident87.3Confident129 Ų12931.8 Ų31.856%0.56118%0.179SC*.SBendtrans-117.3-33.7179.5-58.7172-174.6169.30111.5E984 H1021E984-K1003 WeakPolarHBondContact OE1-CA 3.48Å; E984-K1003 WeakPolarHBondContact OE1-CB 3.32Å; E984-K1003 PolarHBondContact OE1-N 3.22Å; E984-K1003 PolarHBondContact OE2-N 2.92Å; K1003-H1021 PolarHBondContact O-N 2.72Å
1004A86.9Confident87.4Confident8 Ų834.6 Ų34.67%0.06618%0.183CC..EExtended strand (participates in β ladder)trans-126.5158.4-172.600000113.3E984 G1001 V1018 F1019 M1020E984-A1004 PolarHBondContact OE1-N 2.87Å; G1001-A1004 PolarHBondContact N-O 2.97Å; A1004-V1018 HydrophobicContact CB-CG1 3.83Å; A1004-F1019 CarbonylContact C-O 3.57Å; A1004-F1019 VanDerWaalsContact CA-O 3.32Å; A1004-F1019 WeakPolarHBondContact CA-O 3.3Å; A1004-M1020 HydrophobicContact CB-SD 3.96Å
1005I89.7Confident87.7Confident2 Ų236 Ų361%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-114.1112.1153.1-45.3170.9000106.5M998 G999 W1000 V1018 F1019 L1027 F1039 M1053M998-I1005 HydrophobicContact CE-CG2 3.82Å; G999-I1005 WeakPolarHBondContact O-CA 3.37Å; W1000-I1005 HydrophobicContact CD2-CG2 4.15Å; W1000-I1005 HydrophobicContact CG-CG1 4.43Å; W1000-I1005 HydrophobicContact CG-CG2 4.07Å; I1005-V1018 CarbonylContact O-C 3.52Å; I1005-V1018 WeakPolarHBondContact O-CA 3.49Å; I1005-F1019 HydrophobicContact CB-CB 4.21Å; I1005-F1019 HydrophobicContact CG1-CB 4.49Å; I1005-F1019 PolarHBondContact N-O 2.98Å; I1005-F1019 PolarHBondContact O-N 2.92Å; I1005-L1027 HydrophobicContact CD1-CD1 3.94Å; I1005-L1027 HydrophobicContact CG1-CD1 3.78Å; I1005-F1039 HydrophobicContact CD1-CD2 4.45Å; I1005-F1039 HydrophobicContact CD1-CE1 4.29Å; I1005-F1039 HydrophobicContact CD1-CE2 3.96Å; I1005-F1039 HydrophobicContact CD1-CZ 3.86Å; I1005-M1053 HydrophobicContact CD1-CE 4.2Å
1006E91.4Very high87.7Confident17 Ų1737 Ų378%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-86.6145.3171.4-69.1-178.2-148.200110W982 G983 M998 G999 R1008 L1015 V1018W982-E1006 VanDerWaalsContact CD1-OE2 3.29Å; G983-E1006 WeakPolarHBondContact CA-OE1 3.39Å; G983-E1006 PolarHBondContact N-OE1 2.89Å; M998-E1006 CarbonylContact C-O 3.51Å; M998-E1006 VanDerWaalsContact CA-O 3.28Å; M998-E1006 WeakPolarHBondContact CA-O 3.47Å; G999-E1006 PolarHBondContact N-O 2.87Å; G999-E1006 PolarHBondContact O-N 3.43Å; E1006-R1008 IonicContact OE2-CZ 2.91Å; E1006-R1008 VanDerWaalsContact OE2-CZ 3.29Å; E1006-R1008 IonicContact OE2-NE 3.24Å; E1006-R1008 PolarHBondContact OE2-NE 3.17Å; E1006-R1008 IonicContact OE2-NH2 2.72Å; E1006-R1008 PolarHBondContact OE2-NH2 2.85Å; E1006-L1015 HydrophobicContact CB-CD1 4.14Å; E1006-L1015 HydrophobicContact CG-CD1 4.28Å; E1006-V1018 HydrophobicContact CG-CG1 4.37Å; E1006-V1018 HydrophobicContact CG-CG2 4.25Å
1007I90.2Very high87.5Confident0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-126.5135.8168.6-48.292.1000109.7Q996 M998 D1016 G1017 F1019 W1063Q996-I1007 HydrophobicContact CB-CG2 3.72Å; Q996-I1007 HydrophobicContact CG-CG2 4.19Å; M998-I1007 HydrophobicContact CB-CG1 4.46Å; M998-I1007 HydrophobicContact CE-CD1 4.03Å; M998-I1007 HydrophobicContact CE-CG1 3.47Å; M998-I1007 VanDerWaalsContact CE-CG1 3.47Å; M998-I1007 HydrophobicContact CG-CB 4.3Å; M998-I1007 HydrophobicContact CG-CG1 3.72Å; M998-I1007 HydrophobicContact CG-CG2 3.89Å; M998-I1007 HydrophobicContact SD-CG1 4.31Å; I1007-D1016 HydrophobicContact CG2-CB 4.48Å; I1007-D1016 PolarHBondContact O-N 2.86Å; I1007-G1017 PolarHBondContact N-O 3.01Å; I1007-G1017 PolarHBondContact O-N 2.76Å; I1007-F1019 HydrophobicContact CD1-CD2 3.6Å; I1007-F1019 HydrophobicContact CD1-CE2 3.61Å; I1007-W1063 HydrophobicContact CB-CH2 3.69Å; I1007-W1063 HydrophobicContact CB-CZ2 3.7Å; I1007-W1063 HydrophobicContact CB-CZ3 4.45Å; I1007-W1063 HydrophobicContact CD1-CE3 4.12Å; I1007-W1063 HydrophobicContact CD1-CH2 3.74Å; I1007-W1063 HydrophobicContact CD1-CZ2 4.27Å; I1007-W1063 HydrophobicContact CD1-CZ3 3.6Å; I1007-W1063 HydrophobicContact CG1-CH2 3.44Å; I1007-W1063 VanDerWaalsContact CG1-CH2 3.44Å; I1007-W1063 HydrophobicContact CG1-CZ2 3.99Å; I1007-W1063 HydrophobicContact CG1-CZ3 3.82Å; I1007-W1063 HydrophobicContact CG2-CH2 3.56Å; I1007-W1063 HydrophobicContact CG2-CZ2 3.51Å
1008R90.1Very high87.2Confident36 Ų3639.4 Ų39.414%0.13621%0.207CC..EExtended strand (participates in β ladder)trans-131.2143.6-179.6-67.7163.8-176.8-95.11.9110.6Q981 I997 E1006 V1010 H1014 L1015Q981-R1008 VanDerWaalsContact O-CZ 3.26Å; Q981-R1008 PolarHBondContact O-NH2 3.07Å; I997-R1008 HydrophobicContact CG2-CB 3.97Å; I997-R1008 PolarHBondContact N-O 3.3Å; I997-R1008 PolarHBondContact O-N 2.83Å; E1006-R1008 IonicContact OE2-CZ 2.91Å; E1006-R1008 VanDerWaalsContact OE2-CZ 3.29Å; E1006-R1008 IonicContact OE2-NE 3.24Å; E1006-R1008 PolarHBondContact OE2-NE 3.17Å; E1006-R1008 IonicContact OE2-NH2 2.72Å; E1006-R1008 PolarHBondContact OE2-NH2 2.85Å; R1008-V1010 PolarHBondContact O-N 2.82Å; R1008-H1014 CarbonylContact C-O 3.55Å; R1008-H1014 WeakPolarHBondContact CA-O 3.23Å; R1008-H1014 VanDerWaalsContact CB-O 3.27Å; R1008-H1014 WeakPolarHBondContact CB-O 3.43Å; R1008-L1015 HydrophobicContact CG-CD1 3.92Å
1009S87.5Confident86.8Confident22 Ų2240.8 Ų40.815%0.15421%0.213CC..EExtended strand (participates in β ladder)trans-64.7128.5168.7168.50000110.1E1011 T1012 G1013 H1014 D1016S1009-E1011 VanDerWaalsContact C-N 3.28Å; S1009-E1011 PolarHBondContact O-N 2.75Å; S1009-E1011 PolarHBondContact OG-N 2.84Å; S1009-T1012 WeakPolarHBondContact CB-OG1 3.44Å; S1009-T1012 PolarHBondContact OG-N 2.74Å; S1009-T1012 PolarHBondContact OG-OG1 2.84Å; S1009-G1013 WeakPolarHBondContact O-CA 3.1Å; S1009-G1013 PolarHBondContact O-N 3.17Å; S1009-H1014 PolarHBondContact N-O 3.27Å; S1009-D1016 VanDerWaalsContact CB-OD1 3.31Å; S1009-D1016 WeakPolarHBondContact CB-OD1 3.4Å; S1009-D1016 PolarHBondContact N-OD1 2.98Å
1010V88.1Confident86.2Confident1 Ų147.5 Ų47.51%0.00625%0.246CC..THydrogen-bonded Turntrans-70.1-28.6177.2173.70000111.9V947 L949 L958 Y967 Y991 G995 I997 R1008V947-V1010 HydrophobicContact CG1-CG1 4.32Å; L949-V1010 HydrophobicContact CD2-CG1 3.53Å; L958-V1010 HydrophobicContact CD2-CG1 4.09Å; Y967-V1010 VanDerWaalsContact CE1-O 3.23Å; Y967-V1010 WeakPolarHBondContact CE1-O 3.29Å; Y967-V1010 PolarHBondContact OH-O 2.79Å; Y991-V1010 HydrophobicContact CD2-CB 4.41Å; Y991-V1010 HydrophobicContact CD2-CG2 3.47Å; Y991-V1010 VanDerWaalsContact CD2-CG2 3.47Å; Y991-V1010 HydrophobicContact CE2-CB 4.11Å; Y991-V1010 HydrophobicContact CE2-CG1 4.29Å; Y991-V1010 HydrophobicContact CE2-CG2 3.6Å; G995-V1010 WeakPolarHBondContact O-CB 3.21Å; G995-V1010 WeakPolarHBondContact O-CG2 3.49Å; G995-V1010 PolarHBondContact O-N 3.45Å; I997-V1010 HydrophobicContact CB-CG2 3.64Å; I997-V1010 HydrophobicContact CG2-CG2 3.9Å; R1008-V1010 PolarHBondContact O-N 2.82Å
1011E83Confident85.4Confident116 Ų11650.5 Ų50.554%0.54226%0.259SS..THydrogen-bonded Turntrans-78.8-41.6-177.5-63.7-171.6162.400112.1K976 S1009K976-E1011 PolarHBondContact NZ-O 3.32Å; S1009-E1011 VanDerWaalsContact C-N 3.28Å; S1009-E1011 PolarHBondContact O-N 2.75Å; S1009-E1011 PolarHBondContact OG-N 2.84Å
1012T82.9Confident84.7Confident75 Ų7559.4 Ų59.446%0.4630%0.298SS..THydrogen-bonded Turntrans-106.4-12.9-175.368.60000114.5S1009 H1014S1009-T1012 WeakPolarHBondContact CB-OG1 3.44Å; S1009-T1012 PolarHBondContact OG-N 2.74Å; S1009-T1012 PolarHBondContact OG-OG1 2.84Å; T1012-H1014 PolarHBondContact O-N 2.75Å; T1012-H1014 VanDerWaalsContact O-N 3.13Å; T1012-H1014 PolarHBondContact O-ND1 2.94Å; T1012-H1014 PolarHBondContact OG1-N 3Å; T1012-H1014 PolarHBondContact OG1-ND1 2.78Å
1013G83.3Confident84.3Confident8 Ų864.2 Ų64.28%0.08232%0.316CS..  trans68.30.9-17500000115.8S1009S1009-G1013 WeakPolarHBondContact O-CA 3.1Å; S1009-G1013 PolarHBondContact O-N 3.17Å
1014H85.4Confident83.5Confident132 Ų13261.7 Ų61.761%0.61132%0.319SS*.  trans-67.3153.6-179.7-71.442.9000111R1008 S1009 T1012 D1016R1008-H1014 CarbonylContact C-O 3.55Å; R1008-H1014 WeakPolarHBondContact CA-O 3.23Å; R1008-H1014 VanDerWaalsContact CB-O 3.27Å; R1008-H1014 WeakPolarHBondContact CB-O 3.43Å; S1009-H1014 PolarHBondContact N-O 3.27Å; T1012-H1014 PolarHBondContact O-N 2.75Å; T1012-H1014 VanDerWaalsContact O-N 3.13Å; T1012-H1014 PolarHBondContact O-ND1 2.94Å; T1012-H1014 PolarHBondContact OG1-N 3Å; T1012-H1014 PolarHBondContact OG1-ND1 2.78Å; H1014-D1016 PolarHBondContact O-N 3.44Å
1015L88.1Confident83Confident88 Ų8863.3 Ų63.346%0.46133%0.325SS..EExtended strand (participates in β ladder)trans-81.1107.2175.4-175.269.5000109.4E1006 R1008 V1018E1006-L1015 HydrophobicContact CB-CD1 4.14Å; E1006-L1015 HydrophobicContact CG-CD1 4.28Å; R1008-L1015 HydrophobicContact CG-CD1 3.92Å; L1015-V1018 HydrophobicContact CD1-CG2 3.96Å; L1015-V1018 HydrophobicContact CD2-CG2 3.79Å; L1015-V1018 HydrophobicContact CG-CG2 4.13Å
1016D83.8Confident82.5Confident47 Ų4768.3 Ų68.325%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-76.9-33.9-179.5-67.111.6000111.2Q996 I1007 S1009 H1014 W1063Q996-D1016 PolarHBondContact NE2-OD2 2.83Å; I1007-D1016 HydrophobicContact CG2-CB 4.48Å; I1007-D1016 PolarHBondContact O-N 2.86Å; S1009-D1016 VanDerWaalsContact CB-OD1 3.31Å; S1009-D1016 WeakPolarHBondContact CB-OD1 3.4Å; S1009-D1016 PolarHBondContact N-OD1 2.98Å; H1014-D1016 PolarHBondContact O-N 3.44Å; D1016-W1063 HydrophobicContact CB-CZ2 4.11Å; D1016-W1063 PolarHBondContact O-NE1 2.98Å
1017G83.8Confident82.3Confident15 Ų1567.7 Ų67.716%0.15534%0.344CS..EExtended strand (participates in β ladder)trans-179.2166.7-179.500000115I1007I1007-G1017 PolarHBondContact N-O 3.01Å; I1007-G1017 PolarHBondContact O-N 2.76Å
1018V86.9Confident82.2Confident69 Ų6971.1 Ų71.142%0.41836%0.359SS..EExtended strand (participates in β ladder)trans-141.7125.8-179.7-171.50000112.1A1004 I1005 E1006 L1015A1004-V1018 HydrophobicContact CB-CG1 3.83Å; I1005-V1018 CarbonylContact O-C 3.52Å; I1005-V1018 WeakPolarHBondContact O-CA 3.49Å; E1006-V1018 HydrophobicContact CG-CG1 4.37Å; E1006-V1018 HydrophobicContact CG-CG2 4.25Å; L1015-V1018 HydrophobicContact CD1-CG2 3.96Å; L1015-V1018 HydrophobicContact CD2-CG2 3.79Å; L1015-V1018 HydrophobicContact CG-CG2 4.13Å
1019F84.3Confident82.3Confident30 Ų3071.5 Ų71.513%0.13236%0.362CS..EExtended strand (participates in β ladder)trans-103.399.2176.2-71-97.2000112.3P741 I743 A1004 I1005 I1007 H1021 M1053 W1063P741-F1019 HydrophobicContact CB-CE1 3.97Å; P741-F1019 HydrophobicContact CB-CZ 3.69Å; P741-F1019 HydrophobicContact CG-CE1 3.59Å; P741-F1019 HydrophobicContact CG-CZ 3.54Å; I743-F1019 HydrophobicContact CD1-CB 4.33Å; I743-F1019 HydrophobicContact CD1-CD1 3.5Å; I743-F1019 HydrophobicContact CD1-CE1 4.06Å; I743-F1019 HydrophobicContact CD1-CG 4.12Å; I743-F1019 HydrophobicContact CG1-CD1 4.17Å; I743-F1019 HydrophobicContact CG1-CE1 4.22Å; A1004-F1019 CarbonylContact C-O 3.57Å; A1004-F1019 VanDerWaalsContact CA-O 3.32Å; A1004-F1019 WeakPolarHBondContact CA-O 3.3Å; I1005-F1019 HydrophobicContact CB-CB 4.21Å; I1005-F1019 HydrophobicContact CG1-CB 4.49Å; I1005-F1019 PolarHBondContact N-O 2.98Å; I1005-F1019 PolarHBondContact O-N 2.92Å; I1007-F1019 HydrophobicContact CD1-CD2 3.6Å; I1007-F1019 HydrophobicContact CD1-CE2 3.61Å; F1019-H1021 PolarHBondContact O-N 2.79Å; F1019-M1053 HydrophobicContact CB-CE 4.47Å; F1019-M1053 HydrophobicContact CD1-CE 3.8Å; F1019-M1053 HydrophobicContact CD2-CE 3.52Å; F1019-M1053 HydrophobicContact CD2-SD 4.46Å; F1019-M1053 HydrophobicContact CE1-CE 3.76Å; F1019-M1053 HydrophobicContact CE2-CE 3.52Å; F1019-M1053 HydrophobicContact CE2-SD 3.95Å; F1019-M1053 HydrophobicContact CG-CE 3.65Å; F1019-M1053 HydrophobicContact CZ-CE 3.63Å; F1019-M1053 HydrophobicContact CZ-SD 4.04Å; F1019-W1063 HydrophobicContact CE2-CD2 4.46Å; F1019-W1063 AromaticContact CE2-CE3 3.49Å; F1019-W1063 HydrophobicContact CE2-CE3 3.49Å; F1019-W1063 VanDerWaalsContact CE2-CE3 3.49Å; F1019-W1063 AromaticContact CE2-CZ3 3.8Å; F1019-W1063 HydrophobicContact CE2-CZ3 3.8Å; F1019-W1063 AromaticContact CZ-CE3 3.79Å; F1019-W1063 HydrophobicContact CZ-CE3 3.79Å; F1019-W1063 HydrophobicContact CZ-CZ3 4.33Å
1020M80.3Confident82.5Confident143 Ų14371.1 Ų71.170%0.70436%0.358SS*.EExtended strand (participates in β ladder)trans-76.1120.2175.6-68.7-68.2-8100112A1004A1004-M1020 HydrophobicContact CB-SD 3.96Å
1021H73.9Confident82.8Confident62 Ų6271.8 Ų71.829%0.28736%0.363SS..  trans-90.8124.9175.7-171.9-95.2000111K1003 F1019 K1023K1003-H1021 PolarHBondContact O-N 2.72Å; F1019-H1021 PolarHBondContact O-N 2.79Å; H1021-K1023 PolarHBondContact ND1-O 2.88Å; H1021-K1023 PolarHBondContact O-N 3Å
1022K73.3Confident83.2Confident189 Ų18968.4 Ų68.482%0.82235%0.348SS*.SBendtrans-57.9-5.7-169.6-65.1-167.1176.3-169.30117.3
1023K73.2Confident83.2Confident159 Ų15969.5 Ų69.569%0.69134%0.344SS*.SBendtrans-149138.9172.6-63.5-166177-162.20108H1021 Q1025H1021-K1023 PolarHBondContact ND1-O 2.88Å; H1021-K1023 PolarHBondContact O-N 3Å; K1023-Q1025 PolarHBondContact O-N 2.88Å; K1023-Q1025 VanDerWaalsContact O-N 3.17Å
1024A67.4Low83Confident77 Ų7773.9 Ų73.964%0.63637%0.366SS*.  trans-55.5123.8176.400000111.1N1002N1002-A1024 CarbonylContact O-C 3.54Å; N1002-A1024 WeakPolarHBondContact O-CA 3.44Å
1025Q76.1Confident82.6Confident42 Ų4270.3 Ų70.320%0.19635%0.351CS..  trans-148.9129.2174.9-67-168.728.800108N1002 K1023 L1027N1002-Q1025 PolarHBondContact O-N 2.77Å; N1002-Q1025 VanDerWaalsContact O-O 3.12Å; K1023-Q1025 PolarHBondContact O-N 2.88Å; K1023-Q1025 VanDerWaalsContact O-N 3.17Å; Q1025-L1027 HydrophobicContact CB-CD2 4.48Å; Q1025-L1027 PolarHBondContact O-N 3.47Å; Q1025-L1027 VanDerWaalsContact O-N 3.13Å
1026K79.9Confident82.4Confident106 Ų10669.1 Ų69.146%0.46134%0.342SS..EExtended strand (participates in β ladder)trans-62.3114.2173.9-173.4168.2-170.3171.70109.4T987 A1042T987-K1026 HydrophobicContact CG2-CD 4.36Å; T987-K1026 HydrophobicContact CG2-CG 4.03Å; K1026-A1042 HydrophobicContact CB-CB 4.23Å; K1026-A1042 HydrophobicContact CD-CB 4.39Å; K1026-A1042 HydrophobicContact CG-CB 4.16Å; K1026-A1042 PolarHBondContact O-N 3.39Å
1027L86.4Confident82.7Confident4 Ų467 Ų672%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-101.3133.2179-60.6-176.8000109.7T987 W1000 I1005 Q1025 F1039 S1040T987-L1027 PolarHBondContact OG1-O 2.92Å; W1000-L1027 HydrophobicContact CB-CB 4.23Å; W1000-L1027 VanDerWaalsContact CB-O 3.3Å; W1000-L1027 WeakPolarHBondContact CB-O 3.38Å; W1000-L1027 HydrophobicContact CG-CB 4.47Å; I1005-L1027 HydrophobicContact CD1-CD1 3.94Å; I1005-L1027 HydrophobicContact CG1-CD1 3.78Å; Q1025-L1027 HydrophobicContact CB-CD2 4.48Å; Q1025-L1027 PolarHBondContact O-N 3.47Å; Q1025-L1027 VanDerWaalsContact O-N 3.13Å; L1027-F1039 HydrophobicContact CD1-CD2 4.43Å; L1027-F1039 HydrophobicContact CD1-CE2 4.14Å; L1027-F1039 HydrophobicContact CD2-CD2 4.39Å; L1027-F1039 HydrophobicContact CD2-CE2 4.41Å; L1027-S1040 WeakPolarHBondContact CA-O 3.49Å
1028K88.1Confident83.1Confident73 Ų7366.3 Ų66.332%0.31732%0.323SS..EExtended strand (participates in β ladder)trans-122.6125-179.7-163.7-165.5-179.8-177.10110.9L755 F1039 S1040L755-K1028 PolarHBondContact O-NZ 2.96Å; K1028-F1039 CarbonylContact O-C 3.47Å; K1028-F1039 WeakPolarHBondContact O-CA 3.33Å; K1028-F1039 VanDerWaalsContact O-CB 3.3Å; K1028-F1039 WeakPolarHBondContact O-CB 3.32Å; K1028-S1040 PolarHBondContact N-O 3.33Å; K1028-S1040 PolarHBondContact O-N 2.81Å
1029F92.4Very high83.3Confident43 Ų4363.2 Ų63.219%0.18930%0.304CS..EExtended strand (participates in β ladder)trans-55.7145.8166.8176.3-110.4000111.3S988 A990 I992 W1000 C1031 D1032 V1037S988-F1029 PolarHBondContact OG-N 3.06Å; A990-F1029 HydrophobicContact CB-CD1 3.6Å; A990-F1029 HydrophobicContact CB-CD2 4.2Å; A990-F1029 HydrophobicContact CB-CE1 3.64Å; A990-F1029 HydrophobicContact CB-CE2 4.22Å; A990-F1029 HydrophobicContact CB-CG 3.87Å; A990-F1029 HydrophobicContact CB-CZ 3.94Å; I992-F1029 HydrophobicContact CG2-CE2 4.22Å; W1000-F1029 HydrophobicContact CD2-CB 4.05Å; W1000-F1029 HydrophobicContact CE3-CB 3.86Å; W1000-F1029 HydrophobicContact CH2-CB 3.81Å; W1000-F1029 AromaticContact CH2-CD2 3.28Å; W1000-F1029 HydrophobicContact CH2-CD2 3.28Å; W1000-F1029 HydrophobicContact CH2-CE2 4.03Å; W1000-F1029 AromaticContact CH2-CG 3.77Å; W1000-F1029 HydrophobicContact CH2-CG 3.77Å; W1000-F1029 HydrophobicContact CZ2-CB 4.02Å; W1000-F1029 AromaticContact CZ2-CD2 3.58Å; W1000-F1029 HydrophobicContact CZ2-CD2 3.58Å; W1000-F1029 HydrophobicContact CZ2-CE2 4.49Å; W1000-F1029 HydrophobicContact CZ2-CG 4.21Å; W1000-F1029 HydrophobicContact CZ3-CB 3.73Å; W1000-F1029 AromaticContact CZ3-CD2 4Å; W1000-F1029 HydrophobicContact CZ3-CD2 4Å; W1000-F1029 HydrophobicContact CZ3-CG 4Å; F1029-C1031 VanDerWaalsContact CE2-C 3.45Å; F1029-D1032 HydrophobicContact CE2-CB 4.27Å; F1029-D1032 HydrophobicContact CZ-CB 4.4Å; F1029-V1037 HydrophobicContact CD2-CG1 4.18Å; F1029-V1037 HydrophobicContact CE2-CG1 4.13Å
1030L92.8Very high83.5Confident15 Ų1561.8 Ų61.88%0.07930%0.298CS..EExtended strand (participates in β ladder)trans-122-52.2177.8-64178.7000112.6V754 A757 F1038 I1050V754-L1030 HydrophobicContact CG1-CD1 3.96Å; V754-L1030 HydrophobicContact CG1-CD2 3.71Å; A757-L1030 HydrophobicContact CB-CB 3.82Å; A757-L1030 HydrophobicContact CB-CD1 4.19Å; A757-L1030 HydrophobicContact CB-CG 4.46Å; L1030-F1038 WeakPolarHBondContact CB-O 3.28Å; L1030-F1038 PolarHBondContact N-O 3.46Å; L1030-I1050 HydrophobicContact CD1-CG1 4.42Å; L1030-I1050 HydrophobicContact CD1-CG2 4.33Å
1031C93Very high83.8Confident15 Ų1555.1 Ų55.110%0.10127%0.265CS..EExtended strand (participates in β ladder)trans-172156.9176.259.10000110.4F1029 F1038F1029-C1031 VanDerWaalsContact CE2-C 3.45Å; C1031-F1038 PolarHBondContact N-O 2.8Å; C1031-F1038 WeakPolarHBondContact O-CB 3.35Å; C1031-F1038 PolarHBondContact O-N 3.48Å
1032D91.1Very high83.5Confident45 Ų4553.4 Ų53.424%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-114.1170.516474.6-52.2000111.6I992 S993 F1029 K1036 V1037I992-D1032 HydrophobicContact CB-CB 4.39Å; I992-D1032 HydrophobicContact CG2-CB 4.06Å; S993-D1032 VanDerWaalsContact CB-OD2 3.31Å; S993-D1032 WeakPolarHBondContact CB-OD2 3.44Å; S993-D1032 PolarHBondContact N-OD2 3.31Å; S993-D1032 PolarHBondContact OG-OD2 3.38Å; F1029-D1032 HydrophobicContact CE2-CB 4.27Å; F1029-D1032 HydrophobicContact CZ-CB 4.4Å; D1032-K1036 CarbonylContact C-O 3.48Å; D1032-K1036 VanDerWaalsContact CA-O 3.26Å; D1032-K1036 WeakPolarHBondContact CA-O 3.38Å; D1032-V1037 HydrophobicContact CB-CG2 4.18Å
1033R84.4Confident83.1Confident97 Ų9749.8 Ų49.837%0.36625%0.247SC..EExtended strand (participates in β ladder)trans-161.1115.8158.8-173.1174.6-168.2162.69.9108.7L759 G761 E799 D1035 K1036L759-R1033 HydrophobicContact CD1-CB 3.43Å; L759-R1033 VanDerWaalsContact CD1-CB 3.43Å; L759-R1033 HydrophobicContact CD1-CG 4.35Å; G761-R1033 PolarHBondContact O-NH1 3.27Å; E799-R1033 IonicContact OE1-CZ 2.72Å; E799-R1033 IonicContact OE1-NH1 3Å; E799-R1033 PolarHBondContact OE1-NH1 3.07Å; E799-R1033 IonicContact OE1-NH2 3.76Å; E799-R1033 IonicContact OE2-CZ 2.89Å; E799-R1033 IonicContact OE2-NH1 3.9Å; E799-R1033 PolarHBondContact OE2-NH1 3.25Å; E799-R1033 IonicContact OE2-NH2 3.17Å; E799-R1033 PolarHBondContact OE2-NH2 3.26Å; R1033-D1035 PolarHBondContact O-N 2.72Å; R1033-K1036 PolarHBondContact N-O 2.66Å; R1033-K1036 PolarHBondContact O-N 2.73Å
1034N78.6Confident82.2Confident101 Ų10146.5 Ų46.554%0.5426%0.257SS..THydrogen-bonded Turntrans58.7-126.4-176.8-46-6.8000110.2S993 K1036S993-N1034 WeakPolarHBondContact OG-CA 3.17Å; S993-N1034 PolarHBondContact OG-N 3.22Å; S993-N1034 PolarHBondContact OG-O 3.29Å; N1034-K1036 PolarHBondContact O-N 3.39Å
1035D77.4Confident81.5Confident57 Ų5747.4 Ų47.431%0.30528%0.275SS..THydrogen-bonded Turntrans-71.9-217963.7-27.7000115R1033 T1054 L1055R1033-D1035 PolarHBondContact O-N 2.72Å; D1035-T1054 HydrophobicContact CB-CG2 4.34Å; D1035-T1054 CarbonylContact O-C 3.55Å; D1035-T1054 WeakPolarHBondContact O-CA 3.15Å; D1035-T1054 WeakPolarHBondContact OD2-CG2 3.36Å; D1035-L1055 WeakPolarHBondContact CB-O 3.38Å; D1035-L1055 PolarHBondContact O-N 3.36Å
1036K83.4Confident80.8Confident63 Ų6346.8 Ų46.827%0.27428%0.279SS..EExtended strand (participates in β ladder)trans-120.4118.8-168.2-72.4168.5-171.376.80113D1032 R1033 N1034 F1038 M1053 T1054D1032-K1036 CarbonylContact C-O 3.48Å; D1032-K1036 VanDerWaalsContact CA-O 3.26Å; D1032-K1036 WeakPolarHBondContact CA-O 3.38Å; R1033-K1036 PolarHBondContact N-O 2.66Å; R1033-K1036 PolarHBondContact O-N 2.73Å; N1034-K1036 PolarHBondContact O-N 3.39Å; K1036-F1038 HydrophobicContact CB-CE2 3.93Å; K1036-M1053 WeakPolarHBondContact CA-O 3.33Å; K1036-T1054 HydrophobicContact CG-CG2 4.09Å
1037V89.9Confident80.4Confident1 Ų143.9 Ų43.91%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-110.5128.4-177.2179.10000109.7I992 M998 W1000 F1029 D1032 F1052 M1053 L1055I992-V1037 HydrophobicContact CD1-CG2 3.93Å; I992-V1037 HydrophobicContact CG2-CG2 4.26Å; M998-V1037 HydrophobicContact SD-CG1 3.98Å; M998-V1037 HydrophobicContact SD-CG2 4.16Å; W1000-V1037 HydrophobicContact CH2-CG1 4.21Å; W1000-V1037 HydrophobicContact CZ2-CG1 3.67Å; F1029-V1037 HydrophobicContact CD2-CG1 4.18Å; F1029-V1037 HydrophobicContact CE2-CG1 4.13Å; D1032-V1037 HydrophobicContact CB-CG2 4.18Å; V1037-F1052 CarbonylContact O-C 3.53Å; V1037-F1052 VanDerWaalsContact O-CA 3.23Å; V1037-F1052 WeakPolarHBondContact O-CA 3.06Å; V1037-M1053 PolarHBondContact N-O 2.76Å; V1037-M1053 PolarHBondContact O-N 2.91Å; V1037-L1055 HydrophobicContact CG2-CD1 3.85Å; V1037-L1055 HydrophobicContact CG2-CG 4.29Å
1038F91.8Very high80.3Confident1 Ų143.8 Ų43.80%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-112.6134.7-177.8-64.1-108000110.7Y746 L759 L764 L1030 C1031 K1036 F1052Y746-F1038 HydrophobicContact CE2-CD1 4.47Å; Y746-F1038 HydrophobicContact CE2-CE1 4.32Å; L759-F1038 HydrophobicContact CD1-CD2 4.33Å; L759-F1038 HydrophobicContact CD1-CE2 3.78Å; L759-F1038 HydrophobicContact CD1-CZ 4.34Å; L759-F1038 HydrophobicContact CD2-CE2 4.26Å; L759-F1038 HydrophobicContact CD2-CZ 4.03Å; L759-F1038 HydrophobicContact CG-CE2 4.42Å; L764-F1038 HydrophobicContact CD1-CD1 4.18Å; L764-F1038 HydrophobicContact CD1-CE1 4.49Å; L764-F1038 HydrophobicContact CD1-CG 4.45Å; L764-F1038 HydrophobicContact CD2-CD1 3.98Å; L764-F1038 HydrophobicContact CD2-CE1 4.43Å; L1030-F1038 WeakPolarHBondContact CB-O 3.28Å; L1030-F1038 PolarHBondContact N-O 3.46Å; C1031-F1038 PolarHBondContact N-O 2.8Å; C1031-F1038 WeakPolarHBondContact O-CB 3.35Å; C1031-F1038 PolarHBondContact O-N 3.48Å; K1036-F1038 HydrophobicContact CB-CE2 3.93Å; F1038-F1052 HydrophobicContact CD1-CB 3.85Å; F1038-F1052 HydrophobicContact CE1-CB 3.92Å; F1038-F1052 HydrophobicContact CE1-CG 4.47Å; F1038-F1052 HydrophobicContact CG-CB 4.23Å; F1038-F1052 HydrophobicContact CZ-CB 4.31Å
1039F91.5Very high80.2Confident4 Ų441.7 Ų41.72%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-145.8168.1-179.962.1-82.6000111.1I743 W1000 I1005 L1027 K1028 Y1051 M1053I743-F1039 HydrophobicContact CD1-CZ 4.35Å; I743-F1039 HydrophobicContact CG2-CE1 4.39Å; I743-F1039 HydrophobicContact CG2-CZ 3.79Å; W1000-F1039 AromaticContact NE1-CG 3.79Å; I1005-F1039 HydrophobicContact CD1-CD2 4.45Å; I1005-F1039 HydrophobicContact CD1-CE1 4.29Å; I1005-F1039 HydrophobicContact CD1-CE2 3.96Å; I1005-F1039 HydrophobicContact CD1-CZ 3.86Å; L1027-F1039 HydrophobicContact CD1-CD2 4.43Å; L1027-F1039 HydrophobicContact CD1-CE2 4.14Å; L1027-F1039 HydrophobicContact CD2-CD2 4.39Å; L1027-F1039 HydrophobicContact CD2-CE2 4.41Å; K1028-F1039 CarbonylContact O-C 3.47Å; K1028-F1039 WeakPolarHBondContact O-CA 3.33Å; K1028-F1039 VanDerWaalsContact O-CB 3.3Å; K1028-F1039 WeakPolarHBondContact O-CB 3.32Å; F1039-Y1051 HydrophobicContact CD2-CD2 4.32Å; F1039-Y1051 HydrophobicContact CD2-CG 4.25Å; F1039-Y1051 HydrophobicContact CE2-CD1 4.22Å; F1039-Y1051 HydrophobicContact CE2-CD2 4.17Å; F1039-Y1051 AromaticContact CE2-CG 3.75Å; F1039-Y1051 HydrophobicContact CE2-CG 3.75Å; F1039-Y1051 VanDerWaalsContact CZ-CB 3.47Å; F1039-Y1051 HydrophobicContact CZ-CD1 4.37Å; F1039-Y1051 HydrophobicContact CZ-CG 4.07Å; F1039-Y1051 PolarHBondContact N-O 3.43Å; F1039-Y1051 VanDerWaalsContact N-O 3.12Å; F1039-Y1051 PolarHBondContact O-N 3.49Å; F1039-M1053 HydrophobicContact CE1-CB 4.2Å
1040S89.8Confident80Confident1 Ų139.6 Ų39.61%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-135.9157.1179.658.30000112.9L1027 K1028 Q1049L1027-S1040 WeakPolarHBondContact CA-O 3.49Å; K1028-S1040 PolarHBondContact N-O 3.33Å; K1028-S1040 PolarHBondContact O-N 2.81Å; S1040-Q1049 WeakPolarHBondContact CA-O 3.27Å; S1040-Q1049 WeakPolarHBondContact CB-O 3.31Å
1041S85.4Confident79.8Confident2 Ų239.8 Ų39.81%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-87.4117.5167.450.30000110.8K1043 C1048 Q1049S1041-K1043 PolarHBondContact O-N 3.44Å; S1041-C1048 PolarHBondContact O-SG 2.88Å; S1041-Q1049 PolarHBondContact N-O 3.4Å; S1041-Q1049 PolarHBondContact OG-N 3.34Å
1042A68.3Low79.6Confident26 Ų2640.2 Ų40.222%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-85.9104.7173.300000109.3K1026K1026-A1042 HydrophobicContact CB-CB 4.23Å; K1026-A1042 HydrophobicContact CD-CB 4.39Å; K1026-A1042 HydrophobicContact CG-CB 4.16Å; K1026-A1042 PolarHBondContact O-N 3.39Å
1043K63.4Low79.3Confident114 Ų11438.1 Ų38.150%0.49624%0.243SC..  trans-109.5110.8170.1-75.3-163169.6-156.90109.6S1041 G1045 G1046S1041-K1043 PolarHBondContact O-N 3.44Å; K1043-G1045 PolarHBondContact O-N 2.87Å; K1043-G1045 VanDerWaalsContact O-N 3.13Å; K1043-G1046 PolarHBondContact O-N 3.25Å
1044G54.8Low79.1Confident89 Ų8935 Ų3592%0.91823%0.234SC*.THydrogen-bonded Turntrans-54.3119.5165.700000109.5G1046G1044-G1046 VanDerWaalsContact C-N 3.32Å; G1044-G1046 PolarHBondContact O-N 3.22Å
1045G54.1Low78.9Confident97 Ų9730.6 Ų30.6100%121%0.211SC*.THydrogen-bonded Turntrans70.115.4-176.600000116.3K1043K1043-G1045 PolarHBondContact O-N 2.87Å; K1043-G1045 VanDerWaalsContact O-N 3.13Å
1046G60.8Low78.2Confident28 Ų2832.2 Ų32.229%0.28922%0.22SC..SBendtrans-137.1156.5-176.400000114.5K1043 G1044 C1048K1043-G1046 PolarHBondContact O-N 3.25Å; G1044-G1046 VanDerWaalsContact C-N 3.32Å; G1044-G1046 PolarHBondContact O-N 3.22Å; G1046-C1048 PolarHBondContact O-N 2.83Å
1047S72.1Confident76.7Confident46 Ų4637.5 Ų37.532%0.32224%0.242SC..  trans-64.9119-176.467.60000112.8F750F750-S1047 CarbonylContact O-C 3.5Å; F750-S1047 WeakPolarHBondContact O-CA 3.09Å; F750-S1047 WeakPolarHBondContact O-CB 3.2Å
1048C82.9Confident74.5Confident1 Ų144 Ų441%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-63.4143.8173-74.70000111.8F750 V754 S1041 G1046F750-C1048 HydrophobicContact CB-CB 4.47Å; F750-C1048 PolarHBondContact N-O 3.38Å; F750-C1048 PolarHBondContact O-N 3.18Å; V754-C1048 HydrophobicContact CB-CB 4.5Å; V754-C1048 HydrophobicContact CG2-CB 3.89Å; S1041-C1048 PolarHBondContact O-SG 2.88Å; G1046-C1048 PolarHBondContact O-N 2.83Å
1049Q86.6Confident72.4Confident29 Ų2947.7 Ų47.714%0.13632%0.323CS..EExtended strand (participates in β ladder)trans-120.2144168.6-52.3-142.3-97.700109.5K745 K749 S1040 S1041 Y1051K745-Q1049 HydrophobicContact CD-CB 4.19Å; K745-Q1049 HydrophobicContact CG-CB 4.48Å; K749-Q1049 HydrophobicContact CG-CG 4.34Å; S1040-Q1049 WeakPolarHBondContact CA-O 3.27Å; S1040-Q1049 WeakPolarHBondContact CB-O 3.31Å; S1041-Q1049 PolarHBondContact N-O 3.4Å; S1041-Q1049 PolarHBondContact OG-N 3.34Å; Q1049-Y1051 HydrophobicContact CB-CE2 3.85Å
1050I88.6Confident69.9Low0 Ų053.3 Ų53.30%035%0.351CS..EExtended strand (participates in β ladder)trans-102.2139.4175.7-59.1179.7000109.2Y746 F750 V754 L764 I766 L1030Y746-I1050 HydrophobicContact CD2-CB 4.03Å; Y746-I1050 HydrophobicContact CD2-CG2 3.81Å; Y746-I1050 WeakPolarHBondContact CD2-O 3.36Å; Y746-I1050 HydrophobicContact CE2-CG2 4.15Å; Y746-I1050 PolarHBondContact N-O 3.13Å; F750-I1050 HydrophobicContact CD2-CD1 4.21Å; F750-I1050 HydrophobicContact CD2-CG1 4.27Å; F750-I1050 HydrophobicContact CE2-CD1 3.65Å; F750-I1050 HydrophobicContact CE2-CG1 3.98Å; F750-I1050 HydrophobicContact CZ-CD1 4.15Å; V754-I1050 HydrophobicContact CG2-CD1 4.48Å; L764-I1050 HydrophobicContact CD2-CD1 4.2Å; L764-I1050 HydrophobicContact CD2-CG2 4.08Å; I766-I1050 HydrophobicContact CD1-CD1 3.48Å; I766-I1050 VanDerWaalsContact CD1-CD1 3.48Å; I766-I1050 HydrophobicContact CG1-CD1 3.92Å; I766-I1050 HydrophobicContact CG2-CD1 4.22Å; L1030-I1050 HydrophobicContact CD1-CG1 4.42Å; L1030-I1050 HydrophobicContact CD1-CG2 4.33Å
1051Y88.9Confident67.4Low18 Ų1858.9 Ų58.97%0.07139%0.387CS..EExtended strand (participates in β ladder)trans-123.6155.7179.7-59.4-110000108.7I743 R744 K745 F1039 Q1049I743-Y1051 HydrophobicContact CG2-CD1 4Å; R744-Y1051 CarbonylContact O-C 3.56Å; R744-Y1051 WeakPolarHBondContact O-CA 3.23Å; K745-Y1051 HydrophobicContact CB-CD1 3.9Å; K745-Y1051 HydrophobicContact CB-CE1 4.1Å; K745-Y1051 HydrophobicContact CD-CD1 4.12Å; K745-Y1051 HydrophobicContact CD-CE1 3.5Å; K745-Y1051 HydrophobicContact CD-CE2 4.21Å; K745-Y1051 HydrophobicContact CG-CD1 3.83Å; K745-Y1051 HydrophobicContact CG-CD2 4.47Å; K745-Y1051 HydrophobicContact CG-CE1 3.77Å; K745-Y1051 HydrophobicContact CG-CE2 4.36Å; K745-Y1051 HydrophobicContact CG-CG 4.2Å; F1039-Y1051 HydrophobicContact CD2-CD2 4.32Å; F1039-Y1051 HydrophobicContact CD2-CG 4.25Å; F1039-Y1051 HydrophobicContact CE2-CD1 4.22Å; F1039-Y1051 HydrophobicContact CE2-CD2 4.17Å; F1039-Y1051 AromaticContact CE2-CG 3.75Å; F1039-Y1051 HydrophobicContact CE2-CG 3.75Å; F1039-Y1051 VanDerWaalsContact CZ-CB 3.47Å; F1039-Y1051 HydrophobicContact CZ-CD1 4.37Å; F1039-Y1051 HydrophobicContact CZ-CG 4.07Å; F1039-Y1051 PolarHBondContact N-O 3.43Å; F1039-Y1051 VanDerWaalsContact N-O 3.12Å; F1039-Y1051 PolarHBondContact O-N 3.49Å; Q1049-Y1051 HydrophobicContact CB-CE2 3.85Å
1052F87.8Confident65.1Low24 Ų2464.8 Ų64.811%0.10542%0.419CS..EExtended strand (participates in β ladder)trans-135.6144.5162.174-84.9000110.7I743 R744 Y746 V1037 F1038I743-F1052 WeakPolarHBondContact CA-O 3.22Å; R744-F1052 HydrophobicContact CB-CD1 3.84Å; R744-F1052 HydrophobicContact CB-CE1 3.42Å; R744-F1052 VanDerWaalsContact CB-CE1 3.42Å; R744-F1052 HydrophobicContact CB-CE2 4.16Å; R744-F1052 HydrophobicContact CB-CG 4.41Å; R744-F1052 HydrophobicContact CB-CZ 3.61Å; R744-F1052 VanDerWaalsContact CD-CZ 3.45Å; R744-F1052 HydrophobicContact CG-CE1 4.36Å; R744-F1052 HydrophobicContact CG-CZ 4.09Å; R744-F1052 PolarHBondContact N-O 2.98Å; R744-F1052 PolarHBondContact O-N 2.89Å; Y746-F1052 HydrophobicContact CD2-CD1 4.4Å; Y746-F1052 AromaticContact CE2-CD1 3.51Å; Y746-F1052 HydrophobicContact CE2-CD1 3.51Å; Y746-F1052 HydrophobicContact CE2-CE1 4.14Å; Y746-F1052 HydrophobicContact CE2-CG 4.44Å; Y746-F1052 AromaticContact CZ-CD1 3.65Å; Y746-F1052 AromaticContact CZ-CE1 3.85Å; Y746-F1052 WeakPolarHBondContact OH-CD1 3.41Å; V1037-F1052 CarbonylContact O-C 3.53Å; V1037-F1052 VanDerWaalsContact O-CA 3.23Å; V1037-F1052 WeakPolarHBondContact O-CA 3.06Å; F1038-F1052 HydrophobicContact CD1-CB 3.85Å; F1038-F1052 HydrophobicContact CE1-CB 3.92Å; F1038-F1052 HydrophobicContact CE1-CG 4.47Å; F1038-F1052 HydrophobicContact CG-CB 4.23Å; F1038-F1052 HydrophobicContact CZ-CB 4.31Å
1053M85.3Confident63.5Low1 Ų166.9 Ų66.91%0.00542%0.421CS..EExtended strand (participates in β ladder)trans-110.5145.9172-178.9-174.3-76.600107.5I743 M998 I1005 F1019 K1036 V1037 F1039 L1055 W1063I743-M1053 HydrophobicContact CD1-CE 3.64Å; I743-M1053 HydrophobicContact CG1-CB 4.36Å; I743-M1053 HydrophobicContact CG1-CE 3.74Å; I743-M1053 HydrophobicContact CG1-CG 4.33Å; M998-M1053 HydrophobicContact CE-CE 4.39Å; M998-M1053 HydrophobicContact CE-SD 3.8Å; I1005-M1053 HydrophobicContact CD1-CE 4.2Å; F1019-M1053 HydrophobicContact CB-CE 4.47Å; F1019-M1053 HydrophobicContact CD1-CE 3.8Å; F1019-M1053 HydrophobicContact CD2-CE 3.52Å; F1019-M1053 HydrophobicContact CD2-SD 4.46Å; F1019-M1053 HydrophobicContact CE1-CE 3.76Å; F1019-M1053 HydrophobicContact CE2-CE 3.52Å; F1019-M1053 HydrophobicContact CE2-SD 3.95Å; F1019-M1053 HydrophobicContact CG-CE 3.65Å; F1019-M1053 HydrophobicContact CZ-CE 3.63Å; F1019-M1053 HydrophobicContact CZ-SD 4.04Å; K1036-M1053 WeakPolarHBondContact CA-O 3.33Å; V1037-M1053 PolarHBondContact N-O 2.76Å; V1037-M1053 PolarHBondContact O-N 2.91Å; F1039-M1053 HydrophobicContact CE1-CB 4.2Å; M1053-L1055 HydrophobicContact CG-CD2 3.84Å; M1053-L1055 HydrophobicContact SD-CD2 3.6Å; M1053-L1055 VanDerWaalsContact SD-CD2 3.6Å; M1053-W1063 HydrophobicContact SD-CZ3 4.19Å
1054T80.8Confident63.5Low31 Ų3164.5 Ų64.519%0.1942%0.417CS..EExtended strand (participates in β ladder)trans-115.1127.6170.8-490000108.7D1035 K1036D1035-T1054 HydrophobicContact CB-CG2 4.34Å; D1035-T1054 CarbonylContact O-C 3.55Å; D1035-T1054 WeakPolarHBondContact O-CA 3.15Å; D1035-T1054 WeakPolarHBondContact OD2-CG2 3.36Å; K1036-T1054 HydrophobicContact CG-CG2 4.09Å
1055L73.7Confident64Low10 Ų1063.2 Ų63.25%0.05239%0.391CS..  trans-98.7112.3-178.3-53.8-173.1000108I992 T994 D1035 V1037 M1053 W1063I992-L1055 HydrophobicContact CD1-CD1 3.24Å; T994-L1055 HydrophobicContact CG2-CB 4.21Å; T994-L1055 HydrophobicContact CG2-CD1 3.93Å; D1035-L1055 WeakPolarHBondContact CB-O 3.38Å; D1035-L1055 PolarHBondContact O-N 3.36Å; V1037-L1055 HydrophobicContact CG2-CD1 3.85Å; V1037-L1055 HydrophobicContact CG2-CG 4.29Å; M1053-L1055 HydrophobicContact CG-CD2 3.84Å; M1053-L1055 HydrophobicContact SD-CD2 3.6Å; M1053-L1055 VanDerWaalsContact SD-CD2 3.6Å; L1055-W1063 HydrophobicContact CD1-CH2 4.34Å; L1055-W1063 HydrophobicContact CD2-CE3 4.16Å; L1055-W1063 HydrophobicContact CD2-CH2 3.7Å; L1055-W1063 HydrophobicContact CD2-CZ3 3.27Å
1056N62.6Low64.6Low91 Ų9161.3 Ų61.349%0.48736%0.357SS..PPolyproline II helixtrans-65.4159.5-174.5-87.1-32.1000112.1
1057K52.8Low64.8Low173 Ų17363.3 Ų63.375%0.75236%0.361SS*.PPolyproline II helixtrans-55.3150.2-172.3-70.5178.9179.4177.70112.4G1059K1057-G1059 PolarHBondContact O-N 2.96Å
1058P43.3Very low64.3Low139 Ų13964.4 Ų64.490%0.90336%0.363SS*.SBendtrans-55.1130.6-17923.1-35.1000111.6
1059G46.6Very low63.1Low78 Ų7868.6 Ų68.680%0.80439%0.387SS*.SBendtrans137.4-2.5179.500000116.3K1057K1057-G1059 PolarHBondContact O-N 2.96Å
1060M38.5Very low61.4Low121 Ų12171.4 Ų71.460%0.59641%0.405SS*.  trans-120.2125.4175-72-175.3170.600111.7N1062M1060-N1062 VanDerWaalsContact C-N 3.27Å
1061P39Very low59.3Low118 Ų11876.9 Ų76.977%0.76644%0.436SS*.SBendtrans-80.4-11166.134.1-34.7000112.4
1062N35.3Very low56.8Low127 Ų12781.8 Ų81.868%0.67947%0.467SS*.  trans-88.6113.6172.2-63.6-1.9000108.2M1060M1060-N1062 VanDerWaalsContact C-N 3.27Å
1063W36.4Very low54Low69 Ų6987.1 Ų87.126%0.26150%0.5SS..  trans-71.40172.6-83.868000111.2P741 Q996 I1007 D1016 F1019 M1053 L1055P741-W1063 VanDerWaalsContact CB-OXT 3.23Å; P741-W1063 WeakPolarHBondContact CB-OXT 3.16Å; P741-W1063 VanDerWaalsContact CD-C 3.44Å; P741-W1063 VanDerWaalsContact CD-O 3.22Å; P741-W1063 WeakPolarHBondContact CD-O 3.31Å; P741-W1063 WeakPolarHBondContact CD-OXT 3.24Å; P741-W1063 HydrophobicContact CG-CB 4.42Å; P741-W1063 WeakPolarHBondContact CG-O 3.12Å; P741-W1063 WeakPolarHBondContact CG-OXT 3.3Å; Q996-W1063 VanDerWaalsContact NE2-CZ2 3.33Å; I1007-W1063 HydrophobicContact CB-CH2 3.69Å; I1007-W1063 HydrophobicContact CB-CZ2 3.7Å; I1007-W1063 HydrophobicContact CB-CZ3 4.45Å; I1007-W1063 HydrophobicContact CD1-CE3 4.12Å; I1007-W1063 HydrophobicContact CD1-CH2 3.74Å; I1007-W1063 HydrophobicContact CD1-CZ2 4.27Å; I1007-W1063 HydrophobicContact CD1-CZ3 3.6Å; I1007-W1063 HydrophobicContact CG1-CH2 3.44Å; I1007-W1063 VanDerWaalsContact CG1-CH2 3.44Å; I1007-W1063 HydrophobicContact CG1-CZ2 3.99Å; I1007-W1063 HydrophobicContact CG1-CZ3 3.82Å; I1007-W1063 HydrophobicContact CG2-CH2 3.56Å; I1007-W1063 HydrophobicContact CG2-CZ2 3.51Å; D1016-W1063 HydrophobicContact CB-CZ2 4.11Å; D1016-W1063 PolarHBondContact O-NE1 2.98Å; F1019-W1063 HydrophobicContact CE2-CD2 4.46Å; F1019-W1063 AromaticContact CE2-CE3 3.49Å; F1019-W1063 HydrophobicContact CE2-CE3 3.49Å; F1019-W1063 VanDerWaalsContact CE2-CE3 3.49Å; F1019-W1063 AromaticContact CE2-CZ3 3.8Å; F1019-W1063 HydrophobicContact CE2-CZ3 3.8Å; F1019-W1063 AromaticContact CZ-CE3 3.79Å; F1019-W1063 HydrophobicContact CZ-CE3 3.79Å; F1019-W1063 HydrophobicContact CZ-CZ3 4.33Å; M1053-W1063 HydrophobicContact SD-CZ3 4.19Å; L1055-W1063 HydrophobicContact CD1-CH2 4.34Å; L1055-W1063 HydrophobicContact CD2-CE3 4.16Å; L1055-W1063 HydrophobicContact CD2-CH2 3.7Å; L1055-W1063 HydrophobicContact CD2-CZ3 3.27Å

Retrieved 1,063 of 1,063 residues in 291.1 ms (Link to these results)

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