A0A3Q0KKE1_SCHMA Loading...

Replication protein A subunit

As part of the heterotrimeric replication protein A complex (RPA/RP-A), binds and stabilizes single-stranded DNA intermediates, that form during DNA replication or upon DNA stress. It prevents their reannealing and in parallel, recruits and activates different proteins and complexes involved in DNA metabolism. Thereby, it plays an essential role both in DNA replication and the cellular response to DNA damage.

AlphaFold DB , UniProt , Accession A0A3Q0KKE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 590 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.7Low45.3Very low140 Ų14088 Ų8869%0.6945%0.454SS*.  0131.50-168.4-177.9-73.800105.3D27 V55 L81M1-D27 WeakPolarHBondContact O-CA 2.94Å; M1-D27 WeakPolarHBondContact O-CB 3.32Å; M1-V55 HydrophobicContact CG-CG1 3.81Å; M1-V55 HydrophobicContact SD-CG1 3.89Å; M1-L81 HydrophobicContact CE-CD1 3.62Å; M1-L81 HydrophobicContact CG-CD1 3.79Å; M1-L81 HydrophobicContact SD-CD1 3.82Å
2W55.6Low44.5Very low50 Ų5090.4 Ų90.419%0.18948%0.479CS..EExtended strand (participates in β ladder)trans-124136.5-170.6-61.290.1000110.2L25 T26 D27 H32 I56W2-L25 HydrophobicContact CB-CB 4.31Å; W2-L25 HydrophobicContact CB-CD2 4.42Å; W2-L25 HydrophobicContact CD2-CB 4.21Å; W2-L25 HydrophobicContact CE3-CB 3.74Å; W2-L25 HydrophobicContact CG-CB 4.46Å; W2-L25 HydrophobicContact CZ3-CB 4.49Å; W2-T26 CarbonylContact C-O 3.53Å; W2-T26 VanDerWaalsContact CA-O 3.24Å; W2-T26 WeakPolarHBondContact CA-O 3.3Å; W2-D27 HydrophobicContact CD2-CB 4.03Å; W2-D27 HydrophobicContact CE3-CB 3.8Å; W2-D27 VanDerWaalsContact CE3-N 3.29Å; W2-D27 HydrophobicContact CH2-CB 4.04Å; W2-D27 HydrophobicContact CZ2-CB 4.32Å; W2-D27 HydrophobicContact CZ3-CB 3.8Å; W2-H32 AromaticContact CH2-CD2 3.55Å; W2-H32 AromaticContact CZ3-CD2 3.78Å; W2-I56 HydrophobicContact CB-CG1 4.16Å; W2-I56 PolarHBondContact N-O 3.18Å; W2-I56 WeakPolarHBondContact O-CG1 3.25Å; W2-I56 PolarHBondContact O-N 3.49Å
3R51.1Low43.9Very low112 Ų11287.5 Ų87.542%0.42348%0.484SS..EExtended strand (participates in β ladder)trans-86.6130.8162.4-84.2-178-176.2-127.1-2.6108.8L25 T26 V55 D84R3-L25 WeakPolarHBondContact O-CA 3.47Å; R3-T26 HydrophobicContact CB-CG2 3.84Å; R3-T26 PolarHBondContact N-O 2.87Å; R3-T26 PolarHBondContact O-N 3.42Å; R3-V55 HydrophobicContact CG-CG2 4Å; R3-D84 IonicContact CZ-OD2 3.12Å; R3-D84 IonicContact NH1-OD2 2.75Å; R3-D84 PolarHBondContact NH1-OD2 2.98Å; R3-D84 IonicContact NH2-OD2 2.65Å; R3-D84 PolarHBondContact NH2-OD2 3.45Å
4S50.5Low42.8Very low1 Ų187.3 Ų87.31%0.00751%0.512CS..EExtended strand (participates in β ladder)trans-97.8135.5175.559.20000112.2L24 N53 T54S4-L24 CarbonylContact C-O 3.57Å; S4-L24 WeakPolarHBondContact CA-O 3.41Å; S4-N53 VanDerWaalsContact O-CA 3.27Å; S4-N53 WeakPolarHBondContact O-CA 3.36Å; S4-N53 PolarHBondContact O-N 3.02Å; S4-T54 PolarHBondContact N-O 2.88Å; S4-T54 PolarHBondContact OG-O 3.24Å
5R46Very low42Very low158 Ų15886.4 Ų86.460%0.59653%0.529SS*.EExtended strand (participates in β ladder)trans-115.9136.9158.5-91.9-174.7177.5-170.80.4108.7L24 N53R5-L24 HydrophobicContact CB-CB 4.31Å; R5-L24 HydrophobicContact CB-CD2 3.91Å; R5-L24 PolarHBondContact N-O 2.78Å; R5-L24 WeakPolarHBondContact O-CA 3.29Å; R5-L24 VanDerWaalsContact O-CB 3.27Å; R5-L24 WeakPolarHBondContact O-CB 3.32Å; R5-L24 PolarHBondContact O-N 2.92Å; R5-N53 PolarHBondContact NE-OD1 2.83Å
6F52Low41.9Very low32 Ų3287.1 Ų87.114%0.1456%0.558CS.*EExtended strand (participates in β ladder)trans-96.1133.4176.8-63.4-90.9000109.7L23 I45 L50 V51 N52F6-L23 HydrophobicContact CD1-CD2 3.67Å; F6-L23 HydrophobicContact CE1-CD2 3.08Å; F6-L23 HydrophobicContact CZ-CD2 3.75Å; F6-I45 HydrophobicContact CD1-CD1 4.19Å; F6-I45 HydrophobicContact CE1-CD1 3.61Å; F6-I45 HydrophobicContact CE1-CG1 3.9Å; F6-I45 HydrophobicContact CZ-CG1 4.42Å; F6-L50 HydrophobicContact CE1-CD2 3.92Å; F6-L50 HydrophobicContact CE1-CG 4.47Å; F6-L50 HydrophobicContact CE2-CG 4.31Å; F6-L50 WeakPolarHBondContact CE2-O 3.12Å; F6-L50 HydrophobicContact CZ-CB 4.07Å; F6-L50 HydrophobicContact CZ-CD2 3.44Å; F6-L50 VanDerWaalsContact CZ-CD2 3.44Å; F6-L50 HydrophobicContact CZ-CG 3.56Å; F6-L50 WeakPolarHBondContact CZ-O 3.49Å; F6-V51 VanDerWaalsContact CE2-C 3.49Å; F6-V51 VanDerWaalsContact CE2-O 3.26Å; F6-V51 WeakPolarHBondContact CE2-O 3.37Å; F6-N52 WeakPolarHBondContact CA-OD1 3.2Å; F6-N52 VanDerWaalsContact CB-OD1 3.27Å; F6-N52 WeakPolarHBondContact CB-OD1 3.45Å; F6-N52 VanDerWaalsContact CD2-OD1 3.31Å; F6-N52 WeakPolarHBondContact CD2-OD1 3.42Å; F6-N52 PolarHBondContact N-OD1 3.42Å
7S39.2Very low42.3Very low62 Ų6284.8 Ų84.843%0.43456%0.555SS.*  trans-101.6115.715273.20000107.1C9S7-C9 PolarHBondContact O-N 2.88Å
8N36.7Very low43.4Very low141 Ų14187.9 Ų87.975%0.75456%0.56SS**  trans-64.888.5169.5-84.9-9.2000109.2
9C37.5Very low45.2Very low76 Ų7687.5 Ų87.551%0.51455%0.553SS.*  trans-115.886.4157.8-70.70000106.7S7 V11S7-C9 PolarHBondContact O-N 2.88Å; C9-V11 VanDerWaalsContact C-N 3.31Å; C9-V11 PolarHBondContact O-N 3.02Å
10C37.9Very low47Very low86 Ų8691.8 Ų91.858%0.58156%0.559SS**  trans-59103.9154.6-74.50000106.2P12C10-P12 WeakPolarHBondContact O-CD 3.33Å
11V40Very low48.8Very low110 Ų11088.7 Ų88.767%0.66754%0.537SS*.  trans-86108.3162.9-176.30000104.8C9 G13C9-V11 VanDerWaalsContact C-N 3.31Å; C9-V11 PolarHBondContact O-N 3.02Å; V11-G13 PolarHBondContact O-N 3.19Å
12P36.2Very low50.5Low117 Ų11785.1 Ų85.176%0.7652%0.516SS*.  trans-64.9114.7173.7-7.423.6000106.5C10 G14C10-P12 WeakPolarHBondContact O-CD 3.33Å; P12-G14 PolarHBondContact O-N 2.79Å
13G35.8Very low52Low52 Ų5282.8 Ų82.854%0.53651%0.507SS..  trans-64.9116.9164.200000107.3V11 G15V11-G13 PolarHBondContact O-N 3.19Å; G13-G15 PolarHBondContact O-N 2.85Å; G13-G15 VanDerWaalsContact O-N 3.15Å
14G29Very low53.7Low85 Ų8580.4 Ų80.488%0.87650%0.503SS*.THydrogen-bonded Turntrans-53.5121.2170.300000109.5P12P12-G14 PolarHBondContact O-N 2.79Å
15G30.4Very low55.5Low74 Ų7480.4 Ų80.476%0.76350%0.502SS*.THydrogen-bonded Turntrans85.693.6177.200000115G13 G17G13-G15 PolarHBondContact O-N 2.85Å; G13-G15 VanDerWaalsContact O-N 3.15Å; G15-G17 PolarHBondContact O-N 2.79Å
16G41.6Very low57.4Low97 Ų9774.6 Ų74.6100%148%0.484SS*.THydrogen-bonded Turntrans58.38.4156.100000119.4
17G48.6Very low59Low49 Ų4976.3 Ų76.351%0.50550%0.495SS..PPolyproline II helixtrans-90.8144.2-171.600000114.6G15G15-G17 PolarHBondContact O-N 2.79Å
18Q62.3Low60.8Low140 Ų14076.8 Ų76.865%0.65451%0.509SS*.PPolyproline II helixtrans-54.4145.1174.2-71.9177.4-1700112.7T39Q18-T39 HydrophobicContact CB-CG2 4.22Å; Q18-T39 PolarHBondContact OE1-OG1 2.97Å; Q18-T39 VanDerWaalsContact OE1-OG1 3.11Å
19N77.7Confident62.7Low80 Ų8076.2 Ų76.243%0.42851%0.511SS..PPolyproline II helixtrans-52.9143.2175.9-68.7-33.2000111.6Y21 N42 E46N19-Y21 HydrophobicContact CB-CE2 3.87Å; N19-N42 PolarHBondContact O-ND2 3.49Å; N19-E46 PolarHBondContact ND2-OE1 3.39Å
20R79.4Confident64.5Low174 Ų17479.1 Ų79.166%0.65752%0.515SS*.  trans-122.8128.4174.3-67.3-175.7179.2178.70.1109.6M36 T39R20-M36 HydrophobicContact CB-CE 3.84Å; R20-T39 HydrophobicContact CG-CG2 4.45Å
21Y85.5Confident66.6Low27 Ų2779.1 Ų79.111%0.10651%0.512CS..EExtended strand (participates in β ladder)trans-110.9132.8-177.7-59.1-85.2000111.4N19 L37 N42 I45 E46N19-Y21 HydrophobicContact CB-CE2 3.87Å; Y21-L37 PolarHBondContact O-N 3.06Å; Y21-N42 HydrophobicContact CD2-CB 4.35Å; Y21-N42 VanDerWaalsContact CD2-OD1 3.28Å; Y21-N42 WeakPolarHBondContact CD2-OD1 3.31Å; Y21-N42 HydrophobicContact CE2-CB 3.85Å; Y21-I45 HydrophobicContact CD1-CD1 3.66Å; Y21-I45 HydrophobicContact CD1-CG2 4.05Å; Y21-I45 HydrophobicContact CD2-CD1 3.67Å; Y21-I45 HydrophobicContact CE1-CB 4.44Å; Y21-I45 HydrophobicContact CE1-CD1 4.32Å; Y21-I45 HydrophobicContact CE1-CG2 3.77Å; Y21-I45 HydrophobicContact CE2-CB 4.49Å; Y21-I45 HydrophobicContact CE2-CD1 4.33Å; Y21-I45 HydrophobicContact CG-CD1 3.28Å; Y21-E46 WeakPolarHBondContact OH-CG 2.9Å; Y21-E46 PolarHBondContact OH-OE1 3.44Å
22R87.4Confident68.6Low64 Ų6477.4 Ų77.424%0.24250%0.497CS..EExtended strand (participates in β ladder)trans-97133.2175-174-179.7177.3174.70109.9S33 A35 M36R22-S33 PolarHBondContact NE-O 3.47Å; R22-S33 PolarHBondContact NH2-O 3.19Å; R22-A35 CarbonylContact C-O 3.46Å; R22-A35 WeakPolarHBondContact CA-O 3.44Å; R22-A35 WeakPolarHBondContact CG-O 3.45Å; R22-M36 HydrophobicContact CB-SD 4Å; R22-M36 HydrophobicContact CG-SD 4.24Å
23L86.5Confident70.8Confident2 Ų273.5 Ų73.51%0.0147%0.472CS..EExtended strand (participates in β ladder)trans-107.9142.3178.4-52178.2000110.1F6 L25 A35 L37 L50 V75F6-L23 HydrophobicContact CD1-CD2 3.67Å; F6-L23 HydrophobicContact CE1-CD2 3.08Å; F6-L23 HydrophobicContact CZ-CD2 3.75Å; L23-L25 HydrophobicContact CB-CD2 4.09Å; L23-L25 HydrophobicContact CB-CG 4.14Å; L23-L25 HydrophobicContact CD1-CD2 4.3Å; L23-A35 HydrophobicContact CB-CB 4.01Å; L23-A35 PolarHBondContact N-O 2.85Å; L23-A35 WeakPolarHBondContact O-CB 3.4Å; L23-A35 PolarHBondContact O-N 3.42Å; L23-L37 HydrophobicContact CD1-CB 4.2Å; L23-L37 HydrophobicContact CD1-CD1 4.12Å; L23-L37 HydrophobicContact CD2-CB 4.49Å; L23-L37 HydrophobicContact CG-CB 4.31Å; L23-L50 HydrophobicContact CD2-CD2 4.46Å; L23-V75 HydrophobicContact CD1-CG2 4.17Å
24L87Confident73.1Confident62 Ų6273.9 Ų73.933%0.32546%0.459SS..EExtended strand (participates in β ladder)trans-102.9115.4159.8-176.3127.6000107.7S4 R5 T31S4-L24 CarbonylContact C-O 3.57Å; S4-L24 WeakPolarHBondContact CA-O 3.41Å; R5-L24 HydrophobicContact CB-CB 4.31Å; R5-L24 HydrophobicContact CB-CD2 3.91Å; R5-L24 PolarHBondContact N-O 2.78Å; R5-L24 WeakPolarHBondContact O-CA 3.29Å; R5-L24 VanDerWaalsContact O-CB 3.27Å; R5-L24 WeakPolarHBondContact O-CB 3.32Å; R5-L24 PolarHBondContact O-N 2.92Å; L24-T31 HydrophobicContact CD1-CG2 4.13Å; L24-T31 HydrophobicContact CD2-CG2 3.92Å; L24-T31 HydrophobicContact CG-CG2 3.93Å
25L89Confident75.9Confident0 Ų069.8 Ų69.80%042%0.417CS..EExtended strand (participates in β ladder)trans-110.4132.5-176.9-61.4-179.3000110W2 R3 L23 T31 H32 A35 I56 L73 V75W2-L25 HydrophobicContact CB-CB 4.31Å; W2-L25 HydrophobicContact CB-CD2 4.42Å; W2-L25 HydrophobicContact CD2-CB 4.21Å; W2-L25 HydrophobicContact CE3-CB 3.74Å; W2-L25 HydrophobicContact CG-CB 4.46Å; W2-L25 HydrophobicContact CZ3-CB 4.49Å; R3-L25 WeakPolarHBondContact O-CA 3.47Å; L23-L25 HydrophobicContact CB-CD2 4.09Å; L23-L25 HydrophobicContact CB-CG 4.14Å; L23-L25 HydrophobicContact CD1-CD2 4.3Å; L25-T31 CarbonylContact O-C 3.51Å; L25-T31 WeakPolarHBondContact O-CA 3.43Å; L25-H32 PolarHBondContact N-O 2.83Å; L25-H32 PolarHBondContact O-N 3.03Å; L25-A35 HydrophobicContact CD1-CB 3.78Å; L25-A35 HydrophobicContact CG-CB 3.99Å; L25-I56 HydrophobicContact CD2-CD1 3.71Å; L25-I56 HydrophobicContact CD2-CG1 4.47Å; L25-L73 HydrophobicContact CD1-CD2 3.84Å; L25-V75 HydrophobicContact CD1-CG2 4.11Å
26T86.4Confident78.8Confident36 Ų3668.8 Ų68.822%0.22139%0.393CS..EExtended strand (participates in β ladder)trans-129.3136171.5-1770000111.7W2 R3 G28 K30 T31W2-T26 CarbonylContact C-O 3.53Å; W2-T26 VanDerWaalsContact CA-O 3.24Å; W2-T26 WeakPolarHBondContact CA-O 3.3Å; R3-T26 HydrophobicContact CB-CG2 3.84Å; R3-T26 PolarHBondContact N-O 2.87Å; R3-T26 PolarHBondContact O-N 3.42Å; T26-G28 PolarHBondContact OG1-N 3.43Å; T26-K30 VanDerWaalsContact CA-O 3.29Å; T26-K30 WeakPolarHBondContact CA-O 3.4Å; T26-K30 PolarHBondContact OG1-O 3.49Å; T26-T31 PolarHBondContact OG1-OG1 2.72Å
27D86.1Confident81.2Confident69 Ų6964.4 Ų64.437%0.36935%0.347SS..  trans-956.2175.166.42.4000112.8M1 W2 V29 K30M1-D27 WeakPolarHBondContact O-CA 2.94Å; M1-D27 WeakPolarHBondContact O-CB 3.32Å; W2-D27 HydrophobicContact CD2-CB 4.03Å; W2-D27 HydrophobicContact CE3-CB 3.8Å; W2-D27 VanDerWaalsContact CE3-N 3.29Å; W2-D27 HydrophobicContact CH2-CB 4.04Å; W2-D27 HydrophobicContact CZ2-CB 4.32Å; W2-D27 HydrophobicContact CZ3-CB 3.8Å; D27-V29 WeakPolarHBondContact OD1-CA 3.47Å; D27-V29 PolarHBondContact OD1-N 3.37Å; D27-K30 PolarHBondContact N-O 3.47Å; D27-K30 VanDerWaalsContact N-O 3.17Å; D27-K30 PolarHBondContact OD1-N 2.94Å
28G76.7Confident83.1Confident71 Ų7162.8 Ų62.873%0.73233%0.328SS*.SBendtrans91.8-10.6-173.900000114.2T26T26-G28 PolarHBondContact OG1-N 3.43Å
29V75.7Confident84.3Confident129 Ų12958.8 Ų58.878%0.78231%0.314SS*.SBendtrans-121.7-42.4177.5-176.80000111.1D27D27-V29 WeakPolarHBondContact OD1-CA 3.47Å; D27-V29 PolarHBondContact OD1-N 3.37Å
30K76.2Confident84.8Confident138 Ų13861.1 Ų61.160%0.632%0.322SS*.  trans-124.1145-179.3-66.7-175.9179.21800110.7T26 D27T26-K30 VanDerWaalsContact CA-O 3.29Å; T26-K30 WeakPolarHBondContact CA-O 3.4Å; T26-K30 PolarHBondContact OG1-O 3.49Å; D27-K30 PolarHBondContact N-O 3.47Å; D27-K30 VanDerWaalsContact N-O 3.17Å; D27-K30 PolarHBondContact OD1-N 2.94Å
31T82.1Confident85.4Confident85 Ų8553.6 Ų53.652%0.52130%0.295SS..EExtended strand (participates in β ladder)trans-118122.6177-60.30000110L24 L25 T26L24-T31 HydrophobicContact CD1-CG2 4.13Å; L24-T31 HydrophobicContact CD2-CG2 3.92Å; L24-T31 HydrophobicContact CG-CG2 3.93Å; L25-T31 CarbonylContact O-C 3.51Å; L25-T31 WeakPolarHBondContact O-CA 3.43Å; T26-T31 PolarHBondContact OG1-OG1 2.72Å
32H82Confident85.6Confident75 Ų7552.7 Ų52.735%0.34729%0.292SS..EExtended strand (participates in β ladder)trans-102.8112.2174-81.2-72.9000110.6W2 L25W2-H32 AromaticContact CH2-CD2 3.55Å; W2-H32 AromaticContact CZ3-CD2 3.78Å; L25-H32 PolarHBondContact N-O 2.83Å; L25-H32 PolarHBondContact O-N 3.03Å
33S81.6Confident85.7Confident34 Ų3453.2 Ų53.224%0.23830%0.297CS..EExtended strand (participates in β ladder)trans-90-9.8178.259.20000113.7R22R22-S33 PolarHBondContact NE-O 3.47Å; R22-S33 PolarHBondContact NH2-O 3.19Å
34F84.3Confident85.9Confident60 Ų6054 Ų5426%0.26330%0.301SS..EExtended strand (participates in β ladder)trans-107.747.6-178.9-63.9-78.9000112.1K70 V72 L73F34-K70 HydrophobicContact CZ-CD 4.41Å; F34-V72 HydrophobicContact CB-CG2 4.43Å; F34-V72 WeakPolarHBondContact O-CA 3.39Å; F34-L73 PolarHBondContact O-N 3.35Å
35A88.2Confident85.9Confident0 Ų052.1 Ų52.10%029%0.291CS..EExtended strand (participates in β ladder)trans-102.1139.6173.700000111.5R22 L23 L25 L73R22-A35 CarbonylContact C-O 3.46Å; R22-A35 WeakPolarHBondContact CA-O 3.44Å; R22-A35 WeakPolarHBondContact CG-O 3.45Å; L23-A35 HydrophobicContact CB-CB 4.01Å; L23-A35 PolarHBondContact N-O 2.85Å; L23-A35 WeakPolarHBondContact O-CB 3.4Å; L23-A35 PolarHBondContact O-N 3.42Å; L25-A35 HydrophobicContact CD1-CB 3.78Å; L25-A35 HydrophobicContact CG-CB 3.99Å; A35-L73 CarbonylContact C-O 3.6Å; A35-L73 WeakPolarHBondContact CA-O 3.4Å; A35-L73 HydrophobicContact CB-CB 4.22Å; A35-L73 HydrophobicContact CB-CD2 4.24Å
36M90.3Very high85.8Confident53 Ų5357 Ų5726%0.26131%0.314SS..EExtended strand (participates in β ladder)trans-122.4137.9178.9-70-64.2-5700109.8R20 R22 V72 L73 I74 V75R20-M36 HydrophobicContact CB-CE 3.84Å; R22-M36 HydrophobicContact CB-SD 4Å; R22-M36 HydrophobicContact CG-SD 4.24Å; M36-V72 HydrophobicContact CG-CG1 4.21Å; M36-L73 PolarHBondContact N-O 3.11Å; M36-I74 WeakPolarHBondContact O-CA 3.48Å; M36-V75 PolarHBondContact O-N 3.05Å
37L91.6Very high85.9Confident5 Ų560.4 Ų60.43%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-84.1129.5170.8-168.570.2000109.4Y21 L23 L41 I45 L50 V75 L78Y21-L37 PolarHBondContact O-N 3.06Å; L23-L37 HydrophobicContact CD1-CB 4.2Å; L23-L37 HydrophobicContact CD1-CD1 4.12Å; L23-L37 HydrophobicContact CD2-CB 4.49Å; L23-L37 HydrophobicContact CG-CB 4.31Å; L37-L41 HydrophobicContact CD1-CB 3.67Å; L37-L41 HydrophobicContact CD1-CD1 3.61Å; L37-L41 HydrophobicContact CD1-CG 4.31Å; L37-L41 HydrophobicContact CD2-CB 3.97Å; L37-L41 HydrophobicContact CG-CB 3.74Å; L37-L41 HydrophobicContact CG-CD1 4.45Å; L37-I45 HydrophobicContact CD2-CD1 3.49Å; L37-I45 VanDerWaalsContact CD2-CD1 3.49Å; L37-I45 HydrophobicContact CD2-CG1 4.01Å; L37-L50 HydrophobicContact CD1-CD2 4.49Å; L37-L50 HydrophobicContact CD2-CD2 4.32Å; L37-V75 HydrophobicContact CD1-CB 4.43Å; L37-V75 HydrophobicContact CD1-CG1 4.41Å; L37-L78 HydrophobicContact CD1-CD2 3.9Å
38A89.5Confident85.9Confident14 Ų1463.3 Ų63.312%0.11634%0.343CS..  trans-63.9143.8173.700000110.9Q40 L41 I74 V75 L76A38-Q40 HydrophobicContact CB-CG 4.16Å; A38-Q40 PolarHBondContact O-N 3.47Å; A38-Q40 VanDerWaalsContact O-N 3.08Å; A38-L41 WeakPolarHBondContact O-CB 3.39Å; A38-L41 PolarHBondContact O-N 3.06Å; A38-I74 HydrophobicContact CB-CG2 4.48Å; A38-V75 VanDerWaalsContact CB-O 3.22Å; A38-V75 WeakPolarHBondContact CB-O 3.45Å; A38-V75 PolarHBondContact N-O 3.46Å; A38-L76 HydrophobicContact CB-CD2 3.94Å
39T88Confident86.3Confident56 Ų5665 Ų6534%0.34433%0.33SS..G310 helixtrans-61.1-26.9-171.556.50000113.7Q18 R20 L41 N42Q18-T39 HydrophobicContact CB-CG2 4.22Å; Q18-T39 PolarHBondContact OE1-OG1 2.97Å; Q18-T39 VanDerWaalsContact OE1-OG1 3.11Å; R20-T39 HydrophobicContact CG-CG2 4.45Å; T39-L41 PolarHBondContact O-N 3.03Å; T39-N42 WeakPolarHBondContact CA-OD1 3.44Å; T39-N42 VanDerWaalsContact O-CB 3.26Å; T39-N42 WeakPolarHBondContact O-CB 3.38Å; T39-N42 PolarHBondContact O-N 3.14Å; T39-N42 VanDerWaalsContact O-N 3.13Å; T39-N42 PolarHBondContact O-ND2 3Å
40Q88.5Confident86.9Confident130 Ų13059 Ų5961%0.60729%0.294SS*.G310 helixtrans-61.6-22.5173.169.3-163.926.100114A38 H43 L76A38-Q40 HydrophobicContact CB-CG 4.16Å; A38-Q40 PolarHBondContact O-N 3.47Å; A38-Q40 VanDerWaalsContact O-N 3.08Å; Q40-H43 PolarHBondContact O-CE1 2.75Å; Q40-H43 PolarHBondContact O-ND1 3.46Å; Q40-L76 PolarHBondContact NE2-O 3.29Å
41L91.1Very high87.4Confident16 Ų1655 Ų558%0.08428%0.281CS..G310 helixtrans-97.61.9178.4-61.7179.7000113L37 A38 T39 H43 L44 V75 L78L37-L41 HydrophobicContact CD1-CB 3.67Å; L37-L41 HydrophobicContact CD1-CD1 3.61Å; L37-L41 HydrophobicContact CD1-CG 4.31Å; L37-L41 HydrophobicContact CD2-CB 3.97Å; L37-L41 HydrophobicContact CG-CB 3.74Å; L37-L41 HydrophobicContact CG-CD1 4.45Å; A38-L41 WeakPolarHBondContact O-CB 3.39Å; A38-L41 PolarHBondContact O-N 3.06Å; T39-L41 PolarHBondContact O-N 3.03Å; L41-H43 PolarHBondContact O-N 3.33Å; L41-H43 VanDerWaalsContact O-N 3.15Å; L41-L44 HydrophobicContact CB-CD1 4.23Å; L41-L44 HydrophobicContact CD2-CD1 4.12Å; L41-L44 WeakPolarHBondContact O-CB 3.43Å; L41-L44 PolarHBondContact O-N 3.17Å; L41-V75 HydrophobicContact CD1-CG1 4.3Å; L41-L78 HydrophobicContact CD1-CD2 4.07Å; L41-L78 HydrophobicContact CD1-CG 4.38Å
42N90Very high87.4Confident8 Ų855.3 Ų55.34%0.04328%0.279CS..THydrogen-bonded Turntrans-55.4-34.4-179.8-76.20.3000113N19 Y21 T39 L44 I45 E46N19-N42 PolarHBondContact O-ND2 3.49Å; Y21-N42 HydrophobicContact CD2-CB 4.35Å; Y21-N42 VanDerWaalsContact CD2-OD1 3.28Å; Y21-N42 WeakPolarHBondContact CD2-OD1 3.31Å; Y21-N42 HydrophobicContact CE2-CB 3.85Å; T39-N42 WeakPolarHBondContact CA-OD1 3.44Å; T39-N42 VanDerWaalsContact O-CB 3.26Å; T39-N42 WeakPolarHBondContact O-CB 3.38Å; T39-N42 PolarHBondContact O-N 3.14Å; T39-N42 VanDerWaalsContact O-N 3.13Å; T39-N42 PolarHBondContact O-ND2 3Å; N42-L44 PolarHBondContact O-N 3.43Å; N42-L44 VanDerWaalsContact O-N 3.11Å; N42-I45 PolarHBondContact O-N 3.39Å; N42-E46 WeakPolarHBondContact O-CG 3.35Å; N42-E46 PolarHBondContact O-N 2.93Å
43H89.6Confident87.5Confident75 Ų7553.9 Ų53.935%0.34727%0.274SS..Hα-helixtrans-54.4-29.4175.873.7-85000112.4Q40 L41 I45 E46 E47Q40-H43 PolarHBondContact O-CE1 2.75Å; Q40-H43 PolarHBondContact O-ND1 3.46Å; L41-H43 PolarHBondContact O-N 3.33Å; L41-H43 VanDerWaalsContact O-N 3.15Å; H43-I45 VanDerWaalsContact C-N 3.31Å; H43-I45 PolarHBondContact O-N 3.42Å; H43-E46 PolarHBondContact O-N 3.4Å; H43-E47 IonicContact CD2-OE2 3.98Å; H43-E47 WeakPolarHBondContact O-CB 3.38Å; H43-E47 WeakPolarHBondContact O-CG 3.46Å; H43-E47 PolarHBondContact O-N 3.29Å
44L90.8Very high87.8Confident17 Ų1752.2 Ų52.29%0.08926%0.262CS..Hα-helixtrans-67.1-31.6177.4-61.6178.3000112.8L41 N42 K49 L50 L78 I80L41-L44 HydrophobicContact CB-CD1 4.23Å; L41-L44 HydrophobicContact CD2-CD1 4.12Å; L41-L44 WeakPolarHBondContact O-CB 3.43Å; L41-L44 PolarHBondContact O-N 3.17Å; N42-L44 PolarHBondContact O-N 3.43Å; N42-L44 VanDerWaalsContact O-N 3.11Å; L44-K49 HydrophobicContact CD2-CB 4.24Å; L44-K49 HydrophobicContact CD2-CD 3.96Å; L44-K49 CarbonylContact O-C 3.55Å; L44-K49 WeakPolarHBondContact O-CA 3.18Å; L44-K49 WeakPolarHBondContact O-CB 3.48Å; L44-K49 PolarHBondContact O-N 2.89Å; L44-L50 HydrophobicContact CB-CB 3.99Å; L44-L50 PolarHBondContact O-N 3.04Å; L44-L78 HydrophobicContact CD1-CD1 3.91Å; L44-L78 HydrophobicContact CD1-CD2 4.26Å; L44-L78 HydrophobicContact CD1-CG 4.12Å; L44-I80 HydrophobicContact CD2-CD1 4.42Å
45I87.4Confident88Confident23 Ų2350.6 Ų50.612%0.11826%0.257CS..Hα-helixtrans-84.9-44.3175.6-64.5171000109.7F6 Y21 L37 N42 H43 E47 N48 L50F6-I45 HydrophobicContact CD1-CD1 4.19Å; F6-I45 HydrophobicContact CE1-CD1 3.61Å; F6-I45 HydrophobicContact CE1-CG1 3.9Å; F6-I45 HydrophobicContact CZ-CG1 4.42Å; Y21-I45 HydrophobicContact CD1-CD1 3.66Å; Y21-I45 HydrophobicContact CD1-CG2 4.05Å; Y21-I45 HydrophobicContact CD2-CD1 3.67Å; Y21-I45 HydrophobicContact CE1-CB 4.44Å; Y21-I45 HydrophobicContact CE1-CD1 4.32Å; Y21-I45 HydrophobicContact CE1-CG2 3.77Å; Y21-I45 HydrophobicContact CE2-CB 4.49Å; Y21-I45 HydrophobicContact CE2-CD1 4.33Å; Y21-I45 HydrophobicContact CG-CD1 3.28Å; L37-I45 HydrophobicContact CD2-CD1 3.49Å; L37-I45 VanDerWaalsContact CD2-CD1 3.49Å; L37-I45 HydrophobicContact CD2-CG1 4.01Å; N42-I45 PolarHBondContact O-N 3.39Å; H43-I45 VanDerWaalsContact C-N 3.31Å; H43-I45 PolarHBondContact O-N 3.42Å; I45-E47 VanDerWaalsContact C-N 3.28Å; I45-E47 PolarHBondContact O-N 2.77Å; I45-N48 PolarHBondContact O-N 3.03Å; I45-L50 HydrophobicContact CG1-CB 4.18Å; I45-L50 HydrophobicContact CG1-CD2 4.09Å
46E86.5Confident88.2Confident104 Ų10450.6 Ų50.649%0.48626%0.257SS..Hα-helixtrans-65.7-30.7-177.5-67.7170.2-177.100112.2N19 Y21 N42 H43N19-E46 PolarHBondContact ND2-OE1 3.39Å; Y21-E46 WeakPolarHBondContact OH-CG 2.9Å; Y21-E46 PolarHBondContact OH-OE1 3.44Å; N42-E46 WeakPolarHBondContact O-CG 3.35Å; N42-E46 PolarHBondContact O-N 2.93Å; H43-E46 PolarHBondContact O-N 3.4Å
47E88.1Confident88.2Confident106 Ų10654 Ų5450%0.49527%0.267SS..THydrogen-bonded Turntrans-9210.6173.6-59.8171.5-175.100113.4H43 I45 K49H43-E47 IonicContact CD2-OE2 3.98Å; H43-E47 WeakPolarHBondContact O-CB 3.38Å; H43-E47 WeakPolarHBondContact O-CG 3.46Å; H43-E47 PolarHBondContact O-N 3.29Å; I45-E47 VanDerWaalsContact C-N 3.28Å; I45-E47 PolarHBondContact O-N 2.77Å; E47-K49 HydrophobicContact CB-CD 4.47Å; E47-K49 HydrophobicContact CB-CG 4.4Å; E47-K49 PolarHBondContact O-N 3.22Å; E47-K49 VanDerWaalsContact OE2-CE 3.24Å; E47-K49 WeakPolarHBondContact OE2-CE 3.41Å; E47-K49 IonicContact OE2-NZ 2.67Å; E47-K49 PolarHBondContact OE2-NZ 3.41Å
48N85.3Confident88.2Confident130 Ų13055.1 Ų55.170%0.69527%0.274SS*.THydrogen-bonded Turntrans55.827.5-178.7-65-56.3000115.5I45I45-N48 PolarHBondContact O-N 3.03Å
49K86.1Confident88.2Confident106 Ų10661.5 Ų61.546%0.46130%0.295SS..  trans-80-30.6174-69173.7174161.50112.5L44 E47 I80L44-K49 HydrophobicContact CD2-CB 4.24Å; L44-K49 HydrophobicContact CD2-CD 3.96Å; L44-K49 CarbonylContact O-C 3.55Å; L44-K49 WeakPolarHBondContact O-CA 3.18Å; L44-K49 WeakPolarHBondContact O-CB 3.48Å; L44-K49 PolarHBondContact O-N 2.89Å; E47-K49 HydrophobicContact CB-CD 4.47Å; E47-K49 HydrophobicContact CB-CG 4.4Å; E47-K49 PolarHBondContact O-N 3.22Å; E47-K49 VanDerWaalsContact OE2-CE 3.24Å; E47-K49 WeakPolarHBondContact OE2-CE 3.41Å; E47-K49 IonicContact OE2-NZ 2.67Å; E47-K49 PolarHBondContact OE2-NZ 3.41Å; K49-I80 HydrophobicContact CB-CD1 3.9Å; K49-I80 WeakPolarHBondContact O-CD1 3.27Å
50L86.9Confident88.4Confident5 Ų565.2 Ų65.23%0.02631%0.306CS..SBendtrans-111.391.5-177.9-151.482.5000108.9F6 L23 L37 L44 I45 T54 I56 L78 I80F6-L50 HydrophobicContact CE1-CD2 3.92Å; F6-L50 HydrophobicContact CE1-CG 4.47Å; F6-L50 HydrophobicContact CE2-CG 4.31Å; F6-L50 WeakPolarHBondContact CE2-O 3.12Å; F6-L50 HydrophobicContact CZ-CB 4.07Å; F6-L50 HydrophobicContact CZ-CD2 3.44Å; F6-L50 VanDerWaalsContact CZ-CD2 3.44Å; F6-L50 HydrophobicContact CZ-CG 3.56Å; F6-L50 WeakPolarHBondContact CZ-O 3.49Å; L23-L50 HydrophobicContact CD2-CD2 4.46Å; L37-L50 HydrophobicContact CD1-CD2 4.49Å; L37-L50 HydrophobicContact CD2-CD2 4.32Å; L44-L50 HydrophobicContact CB-CB 3.99Å; L44-L50 PolarHBondContact O-N 3.04Å; I45-L50 HydrophobicContact CG1-CB 4.18Å; I45-L50 HydrophobicContact CG1-CD2 4.09Å; L50-T54 HydrophobicContact CD1-CG2 4.4Å; L50-I56 HydrophobicContact CD1-CG2 3.74Å; L50-L78 HydrophobicContact CD1-CD1 3.76Å; L50-L78 HydrophobicContact CD1-CD2 4.21Å; L50-L78 HydrophobicContact CD2-CD2 4.4Å; L50-I80 HydrophobicContact CD1-CD1 4.06Å; L50-I80 HydrophobicContact CD1-CG1 3.84Å
51V86.8Confident88.5Confident54 Ų5464 Ų6433%0.32730%0.301SS..  trans-106.7168.7-175.8-650000111.8F6 N53 T54 T83F6-V51 VanDerWaalsContact CE2-C 3.49Å; F6-V51 VanDerWaalsContact CE2-O 3.26Å; F6-V51 WeakPolarHBondContact CE2-O 3.37Å; V51-N53 PolarHBondContact O-N 3.14Å; V51-T54 WeakPolarHBondContact CG2-OG1 3.38Å; V51-T54 PolarHBondContact N-OG1 3.32Å; V51-T54 WeakPolarHBondContact O-CB 3.08Å; V51-T54 PolarHBondContact O-N 2.78Å; V51-T54 PolarHBondContact O-OG1 3.33Å; V51-T83 HydrophobicContact CG2-CG2 3.58Å
52N83.5Confident88.4Confident90 Ų9066.1 Ų66.148%0.48131%0.314SS..THydrogen-bonded Turntrans-54134174.9-81.8-27000111.1F6 T54F6-N52 WeakPolarHBondContact CA-OD1 3.2Å; F6-N52 VanDerWaalsContact CB-OD1 3.27Å; F6-N52 WeakPolarHBondContact CB-OD1 3.45Å; F6-N52 VanDerWaalsContact CD2-OD1 3.31Å; F6-N52 WeakPolarHBondContact CD2-OD1 3.42Å; F6-N52 PolarHBondContact N-OD1 3.42Å; N52-T54 VanDerWaalsContact C-N 3.29Å; N52-T54 PolarHBondContact O-N 3.28Å
53N83Confident88.3Confident45 Ų4569.1 Ų69.124%0.24134%0.335CS..THydrogen-bonded Turntrans6916.5-176.9-45.3-48.1000115.1S4 R5 V51 V55S4-N53 VanDerWaalsContact O-CA 3.27Å; S4-N53 WeakPolarHBondContact O-CA 3.36Å; S4-N53 PolarHBondContact O-N 3.02Å; R5-N53 PolarHBondContact NE-OD1 2.83Å; V51-N53 PolarHBondContact O-N 3.14Å; N53-V55 PolarHBondContact O-N 3.01Å
54T88Confident87.9Confident0 Ų069.7 Ų69.70%034%0.34CS..EExtended strand (participates in β ladder)trans-61.9133.6166.5-59.50000110.4S4 L50 V51 N52 I56 I80 T83S4-T54 PolarHBondContact N-O 2.88Å; S4-T54 PolarHBondContact OG-O 3.24Å; L50-T54 HydrophobicContact CD1-CG2 4.4Å; V51-T54 WeakPolarHBondContact CG2-OG1 3.38Å; V51-T54 PolarHBondContact N-OG1 3.32Å; V51-T54 WeakPolarHBondContact O-CB 3.08Å; V51-T54 PolarHBondContact O-N 2.78Å; V51-T54 PolarHBondContact O-OG1 3.33Å; N52-T54 VanDerWaalsContact C-N 3.29Å; N52-T54 PolarHBondContact O-N 3.28Å; T54-I56 HydrophobicContact CG2-CG2 3.82Å; T54-I80 HydrophobicContact CG2-CB 4.46Å; T54-I80 HydrophobicContact CG2-CG1 4.3Å; T54-I80 HydrophobicContact CG2-CG2 3.65Å; T54-T83 HydrophobicContact CG2-CG2 4.27Å; T54-T83 WeakPolarHBondContact OG1-CG2 2.92Å
55V88.2Confident87.2Confident25 Ų2574.1 Ų74.115%0.15236%0.364CS..EExtended strand (participates in β ladder)trans-87.1121170.5-176.20000108.1M1 R3 N53 L81 G82M1-V55 HydrophobicContact CG-CG1 3.81Å; M1-V55 HydrophobicContact SD-CG1 3.89Å; R3-V55 HydrophobicContact CG-CG2 4Å; N53-V55 PolarHBondContact O-N 3.01Å; V55-L81 HydrophobicContact CB-CB 4.38Å; V55-L81 HydrophobicContact CG1-CB 4.17Å; V55-L81 HydrophobicContact CG1-CD1 4.22Å; V55-L81 PolarHBondContact O-N 3.16Å; V55-G82 PolarHBondContact N-O 3.09Å
56I92.3Very high86.4Confident0 Ų077.4 Ų77.40%038%0.381CS..EExtended strand (participates in β ladder)trans-119.8149-178.366.7169.7000112W2 L25 L50 T54 V58 L78 D79W2-I56 HydrophobicContact CB-CG1 4.16Å; W2-I56 PolarHBondContact N-O 3.18Å; W2-I56 WeakPolarHBondContact O-CG1 3.25Å; W2-I56 PolarHBondContact O-N 3.49Å; L25-I56 HydrophobicContact CD2-CD1 3.71Å; L25-I56 HydrophobicContact CD2-CG1 4.47Å; L50-I56 HydrophobicContact CD1-CG2 3.74Å; T54-I56 HydrophobicContact CG2-CG2 3.82Å; I56-V58 HydrophobicContact CD1-CG2 4.07Å; I56-L78 HydrophobicContact CB-CD1 4.45Å; I56-L78 HydrophobicContact CD1-CD2 4.37Å; I56-L78 HydrophobicContact CG2-CD1 4.19Å; I56-D79 CarbonylContact C-O 3.54Å; I56-D79 VanDerWaalsContact CA-O 3.27Å; I56-D79 WeakPolarHBondContact CA-O 3.36Å
57R91.1Very high84.8Confident125 Ų12580.9 Ų80.947%0.47240%0.398SS..EExtended strand (participates in β ladder)trans-109109164.9-178.1-175.5-63.9167.9-0.6108.3R59 L78 D79 L81R57-R59 PolarHBondContact O-N 3.13Å; R57-L78 CarbonylContact O-C 3.57Å; R57-L78 VanDerWaalsContact O-CA 3.24Å; R57-L78 WeakPolarHBondContact O-CA 3.5Å; R57-D79 HydrophobicContact CB-CB 4.2Å; R57-D79 PolarHBondContact N-O 2.89Å; R57-D79 PolarHBondContact O-N 2.86Å; R57-L81 HydrophobicContact CB-CD1 4.03Å; R57-L81 HydrophobicContact CB-CD2 4.34Å; R57-L81 HydrophobicContact CB-CG 4.2Å
58V91.1Very high83.3Confident28 Ų2883 Ų8317%0.1741%0.412CS..EExtended strand (participates in β ladder)trans-70.6119.2174.5178.20000109I56 H61 V75I56-V58 HydrophobicContact CD1-CG2 4.07Å; V58-H61 HydrophobicContact CG1-CB 3.85Å; V58-V75 HydrophobicContact CG1-CG1 4.23Å; V58-V75 HydrophobicContact CG2-CG1 4.37Å; V58-V75 HydrophobicContact CG2-CG2 4.34Å
59R90.1Very high82.3Confident148 Ų14882 Ų8256%0.55841%0.407SS*.EExtended strand (participates in β ladder)trans-89.7-45.5178.6-74-170.9177.4-112.6-1.8112.3R57 D77 D79R57-R59 PolarHBondContact O-N 3.13Å; R59-D77 HydrophobicContact CB-CB 4.01Å; R59-D77 WeakPolarHBondContact CD-OD2 3.09Å; R59-D77 PolarHBondContact N-O 3.17Å; R59-D79 IonicContact CZ-OD1 3.24Å; R59-D79 VanDerWaalsContact CZ-OD1 3.24Å; R59-D79 IonicContact CZ-OD2 3.2Å; R59-D79 IonicContact NE-OD1 2.74Å; R59-D79 PolarHBondContact NE-OD1 3.48Å; R59-D79 IonicContact NE-OD2 2.9Å; R59-D79 PolarHBondContact NE-OD2 3.09Å; R59-D79 VanDerWaalsContact NH2-CG 3.25Å; R59-D79 IonicContact NH2-OD1 2.88Å; R59-D79 PolarHBondContact NH2-OD1 2.93Å; R59-D79 IonicContact NH2-OD2 2.86Å; R59-D79 PolarHBondContact NH2-OD2 3.23Å
60K91.8Very high81.4Confident134 Ų13481.8 Ų81.858%0.58341%0.406SS*.EExtended strand (participates in β ladder)trans-132.2134.7178.8-65.9179.8177.4172.70110L76 D77K60-L76 HydrophobicContact CB-CB 4.01Å; K60-L76 PolarHBondContact O-N 3.02Å; K60-D77 HydrophobicContact CB-CB 3.77Å; K60-D77 HydrophobicContact CD-CB 4.3Å; K60-D77 HydrophobicContact CG-CB 4.11Å; K60-D77 PolarHBondContact N-O 3.08Å; K60-D77 PolarHBondContact O-N 2.89Å
61H91.8Very high81Confident105 Ų10584.7 Ų84.749%0.48642%0.424SS..EExtended strand (participates in β ladder)trans-147.9159.6177.766.7-81.1000111.4V58 L73 I74V58-H61 HydrophobicContact CG1-CB 3.85Å; H61-L73 HydrophobicContact CB-CD1 3.77Å; H61-L73 VanDerWaalsContact CD2-CD1 3.41Å; H61-L73 WeakPolarHBondContact CD2-CD1 3.49Å; H61-I74 CarbonylContact C-O 3.54Å; H61-I74 WeakPolarHBondContact CA-O 3.41Å; H61-I74 WeakPolarHBondContact CB-O 3.45Å
62V88.6Confident80.9Confident60 Ų6083.3 Ų83.336%0.36442%0.415SS..EExtended strand (participates in β ladder)trans-125.6135.3170.9175.40000108.4I74 L76V62-I74 PolarHBondContact N-O 3.04Å; V62-I74 PolarHBondContact O-N 2.93Å; V62-L76 HydrophobicContact CG2-CD1 3.69Å; V62-L76 HydrophobicContact CG2-CG 4.44Å
63C86.5Confident81.2Confident71 Ų7179.9 Ų79.948%0.4840%0.397SS..EExtended strand (participates in β ladder)trans-107.3111.6173.7-69.90000108.8V71 L73C63-V71 HydrophobicContact CB-CG1 3.88Å; C63-L73 VanDerWaalsContact SG-CD1 3.56Å
64N82.3Confident81.5Confident87 Ų8780 Ų8047%0.46540%0.397SS..EExtended strand (participates in β ladder)trans-101.1127.4173-81.7-10.7000109.7I66 V71 V72N64-I66 PolarHBondContact O-N 3.24Å; N64-V71 WeakPolarHBondContact O-CA 3.48Å; N64-V72 PolarHBondContact N-O 2.79Å; N64-V72 PolarHBondContact O-N 3.43Å
65N76.2Confident81.7Confident111 Ų11180 Ų8059%0.59440%0.397SS*.EExtended strand (participates in β ladder)trans-83110.9170.6-163.41.4000108.6
66I69.3Low81.8Confident91 Ų9181.5 Ų81.547%0.46740%0.404SS..EExtended strand (participates in β ladder)trans-91.5142.1171.9-53.7-173.2000107.1N64 N68 K70 V72N64-I66 PolarHBondContact O-N 3.24Å; I66-N68 PolarHBondContact O-N 3.21Å; I66-K70 PolarHBondContact N-O 3.41Å; I66-K70 PolarHBondContact O-N 3.49Å; I66-V72 HydrophobicContact CD1-CB 4.1Å; I66-V72 HydrophobicContact CD1-CG2 3.31Å; I66-V72 HydrophobicContact CG1-CG2 3.93Å
67Q54.2Low81.8Confident178 Ų17884.1 Ų84.183%0.83242%0.418SS*.THydrogen-bonded Turntrans-38.9138.8178.1-72.9176.8-14.500112.1
68N56.7Low81.9Confident151 Ų15178.9 Ų78.981%0.80740%0.399SS*.THydrogen-bonded Turntrans75.644.2-171.3-54.2-13.4000115.8I66 K70I66-N68 PolarHBondContact O-N 3.21Å; N68-K70 PolarHBondContact O-N 3.08Å
69N63.1Low81.9Confident108 Ų10879.3 Ų79.358%0.57840%0.401SS*.THydrogen-bonded Turntrans55.624172.4-80.7-16.2000115.3S589N69-S589 PolarHBondContact ND2-O 3.33Å
70K68.1Low82Confident101 Ų10175.6 Ų75.644%0.43939%0.391SS..EExtended strand (participates in β ladder)trans-93.5103.2176-76.5-178.7-178175.40109.5F34 I66 N68 V72F34-K70 HydrophobicContact CZ-CD 4.41Å; I66-K70 PolarHBondContact N-O 3.41Å; I66-K70 PolarHBondContact O-N 3.49Å; N68-K70 PolarHBondContact O-N 3.08Å; K70-V72 PolarHBondContact O-N 2.92Å
71V78.8Confident81.8Confident67 Ų6772.6 Ų72.641%0.40638%0.381SS..EExtended strand (participates in β ladder)trans-80.9116.4171.8-175.20000109.1C63 N64C63-V71 HydrophobicContact CB-CG1 3.88Å; N64-V71 WeakPolarHBondContact O-CA 3.48Å
72V84.7Confident81.4Confident24 Ų2469 Ų6915%0.14537%0.372CS..EExtended strand (participates in β ladder)trans-94.5121.2170.5177.40000109F34 M36 N64 I66 K70 I74F34-V72 HydrophobicContact CB-CG2 4.43Å; F34-V72 WeakPolarHBondContact O-CA 3.39Å; M36-V72 HydrophobicContact CG-CG1 4.21Å; N64-V72 PolarHBondContact N-O 2.79Å; N64-V72 PolarHBondContact O-N 3.43Å; I66-V72 HydrophobicContact CD1-CB 4.1Å; I66-V72 HydrophobicContact CD1-CG2 3.31Å; I66-V72 HydrophobicContact CG1-CG2 3.93Å; K70-V72 PolarHBondContact O-N 2.92Å; V72-I74 HydrophobicContact CG1-CG1 4.3Å
73L89Confident80.9Confident18 Ų1869.3 Ų69.39%0.09437%0.374CS..EExtended strand (participates in β ladder)trans-92.5119.5176.7179.270.9000109.3L25 F34 A35 M36 H61 C63L25-L73 HydrophobicContact CD1-CD2 3.84Å; F34-L73 PolarHBondContact O-N 3.35Å; A35-L73 CarbonylContact C-O 3.6Å; A35-L73 WeakPolarHBondContact CA-O 3.4Å; A35-L73 HydrophobicContact CB-CB 4.22Å; A35-L73 HydrophobicContact CB-CD2 4.24Å; M36-L73 PolarHBondContact N-O 3.11Å; H61-L73 HydrophobicContact CB-CD1 3.77Å; H61-L73 VanDerWaalsContact CD2-CD1 3.41Å; H61-L73 WeakPolarHBondContact CD2-CD1 3.49Å; C63-L73 VanDerWaalsContact SG-CD1 3.56Å
74I89.9Confident79.8Confident48 Ų4869.2 Ų69.225%0.24637%0.369CS..EExtended strand (participates in β ladder)trans-105.1116.5176.1-55.3175.2000108.1M36 A38 H61 V62 V72 L76M36-I74 WeakPolarHBondContact O-CA 3.48Å; A38-I74 HydrophobicContact CB-CG2 4.48Å; H61-I74 CarbonylContact C-O 3.54Å; H61-I74 WeakPolarHBondContact CA-O 3.41Å; H61-I74 WeakPolarHBondContact CB-O 3.45Å; V62-I74 PolarHBondContact N-O 3.04Å; V62-I74 PolarHBondContact O-N 2.93Å; V72-I74 HydrophobicContact CG1-CG1 4.3Å; I74-L76 HydrophobicContact CG2-CD2 4.09Å
75V91.6Very high78.2Confident0 Ų072.2 Ų72.20%039%0.385CS..EExtended strand (participates in β ladder)trans-85.2112.9177.9-179.30000108.8L23 L25 M36 L37 A38 L41 V58 L78L23-V75 HydrophobicContact CD1-CG2 4.17Å; L25-V75 HydrophobicContact CD1-CG2 4.11Å; M36-V75 PolarHBondContact O-N 3.05Å; L37-V75 HydrophobicContact CD1-CB 4.43Å; L37-V75 HydrophobicContact CD1-CG1 4.41Å; A38-V75 VanDerWaalsContact CB-O 3.22Å; A38-V75 WeakPolarHBondContact CB-O 3.45Å; A38-V75 PolarHBondContact N-O 3.46Å; L41-V75 HydrophobicContact CD1-CG1 4.3Å; V58-V75 HydrophobicContact CG1-CG1 4.23Å; V58-V75 HydrophobicContact CG2-CG1 4.37Å; V58-V75 HydrophobicContact CG2-CG2 4.34Å; V75-L78 HydrophobicContact CG1-CB 4.18Å; V75-L78 HydrophobicContact CG1-CD2 3.85Å
76L91.3Very high76.5Confident56 Ų5671.9 Ų71.929%0.29339%0.391SS..EExtended strand (participates in β ladder)trans-95.1-29.6-178.4-63178.9000112.6A38 Q40 K60 V62 I74A38-L76 HydrophobicContact CB-CD2 3.94Å; Q40-L76 PolarHBondContact NE2-O 3.29Å; K60-L76 HydrophobicContact CB-CB 4.01Å; K60-L76 PolarHBondContact O-N 3.02Å; V62-L76 HydrophobicContact CG2-CD1 3.69Å; V62-L76 HydrophobicContact CG2-CG 4.44Å; I74-L76 HydrophobicContact CG2-CD2 4.09Å
77D91.7Very high75Confident56 Ų5672.5 Ų72.530%0.29940%0.404SS..EExtended strand (participates in β ladder)trans-153.9141.8-178.1-170.716.4000110.6R59 K60R59-D77 HydrophobicContact CB-CB 4.01Å; R59-D77 WeakPolarHBondContact CD-OD2 3.09Å; R59-D77 PolarHBondContact N-O 3.17Å; K60-D77 HydrophobicContact CB-CB 3.77Å; K60-D77 HydrophobicContact CD-CB 4.3Å; K60-D77 HydrophobicContact CG-CB 4.11Å; K60-D77 PolarHBondContact N-O 3.08Å; K60-D77 PolarHBondContact O-N 2.89Å
78L93.3Very high73.8Confident14 Ų1468 Ų687%0.07341%0.405CS..EExtended strand (participates in β ladder)trans-153.1150.3-177.469.288.6000112.6L37 L41 L44 L50 I56 R57 V75 I80L37-L78 HydrophobicContact CD1-CD2 3.9Å; L41-L78 HydrophobicContact CD1-CD2 4.07Å; L41-L78 HydrophobicContact CD1-CG 4.38Å; L44-L78 HydrophobicContact CD1-CD1 3.91Å; L44-L78 HydrophobicContact CD1-CD2 4.26Å; L44-L78 HydrophobicContact CD1-CG 4.12Å; L50-L78 HydrophobicContact CD1-CD1 3.76Å; L50-L78 HydrophobicContact CD1-CD2 4.21Å; L50-L78 HydrophobicContact CD2-CD2 4.4Å; I56-L78 HydrophobicContact CB-CD1 4.45Å; I56-L78 HydrophobicContact CD1-CD2 4.37Å; I56-L78 HydrophobicContact CG2-CD1 4.19Å; R57-L78 CarbonylContact O-C 3.57Å; R57-L78 VanDerWaalsContact O-CA 3.24Å; R57-L78 WeakPolarHBondContact O-CA 3.5Å; V75-L78 HydrophobicContact CG1-CB 4.18Å; V75-L78 HydrophobicContact CG1-CD2 3.85Å; L78-I80 HydrophobicContact CD1-CG1 3.89Å
79D91.6Very high72.3Confident38 Ų3864.4 Ų64.420%0.20340%0.404CS..EExtended strand (participates in β ladder)trans-100.3141.8162.1-56.9-49.3000110.4I56 R57 R59 L81I56-D79 CarbonylContact C-O 3.54Å; I56-D79 VanDerWaalsContact CA-O 3.27Å; I56-D79 WeakPolarHBondContact CA-O 3.36Å; R57-D79 HydrophobicContact CB-CB 4.2Å; R57-D79 PolarHBondContact N-O 2.89Å; R57-D79 PolarHBondContact O-N 2.86Å; R59-D79 IonicContact CZ-OD1 3.24Å; R59-D79 VanDerWaalsContact CZ-OD1 3.24Å; R59-D79 IonicContact CZ-OD2 3.2Å; R59-D79 IonicContact NE-OD1 2.74Å; R59-D79 PolarHBondContact NE-OD1 3.48Å; R59-D79 IonicContact NE-OD2 2.9Å; R59-D79 PolarHBondContact NE-OD2 3.09Å; R59-D79 VanDerWaalsContact NH2-CG 3.25Å; R59-D79 IonicContact NH2-OD1 2.88Å; R59-D79 PolarHBondContact NH2-OD1 2.93Å; R59-D79 IonicContact NH2-OD2 2.86Å; R59-D79 PolarHBondContact NH2-OD2 3.23Å; D79-L81 HydrophobicContact CB-CD2 4.34Å
80I91.5Very high70.8Confident69 Ų6966.1 Ų66.135%0.35442%0.418SS..EExtended strand (participates in β ladder)trans-88.6121.9166.8-64.7163000107.8L44 K49 L50 T54 L78L44-I80 HydrophobicContact CD2-CD1 4.42Å; K49-I80 HydrophobicContact CB-CD1 3.9Å; K49-I80 WeakPolarHBondContact O-CD1 3.27Å; L50-I80 HydrophobicContact CD1-CD1 4.06Å; L50-I80 HydrophobicContact CD1-CG1 3.84Å; T54-I80 HydrophobicContact CG2-CB 4.46Å; T54-I80 HydrophobicContact CG2-CG1 4.3Å; T54-I80 HydrophobicContact CG2-CG2 3.65Å; L78-I80 HydrophobicContact CD1-CG1 3.89Å
81L87.3Confident68.8Low71 Ų7171.1 Ų71.137%0.37244%0.44SS..EExtended strand (participates in β ladder)trans-98.8-22-178.5-60.3-177.6000113.2M1 V55 R57 D79M1-L81 HydrophobicContact CE-CD1 3.62Å; M1-L81 HydrophobicContact CG-CD1 3.79Å; M1-L81 HydrophobicContact SD-CD1 3.82Å; V55-L81 HydrophobicContact CB-CB 4.38Å; V55-L81 HydrophobicContact CG1-CB 4.17Å; V55-L81 HydrophobicContact CG1-CD1 4.22Å; V55-L81 PolarHBondContact O-N 3.16Å; R57-L81 HydrophobicContact CB-CD1 4.03Å; R57-L81 HydrophobicContact CB-CD2 4.34Å; R57-L81 HydrophobicContact CB-CG 4.2Å; D79-L81 HydrophobicContact CB-CD2 4.34Å
82G83.8Confident66.5Low30 Ų3073.8 Ų73.831%0.30946%0.462SS..EExtended strand (participates in β ladder)trans162.3169.7178.700000112.9V55V55-G82 PolarHBondContact N-O 3.09Å
83T77.8Confident63.8Low66 Ų6681.5 Ų81.541%0.40550%0.496SS..EExtended strand (participates in β ladder)trans-122.8133.1175.643.40000109.1V51 T54 D85V51-T83 HydrophobicContact CG2-CG2 3.58Å; T54-T83 HydrophobicContact CG2-CG2 4.27Å; T54-T83 WeakPolarHBondContact OG1-CG2 2.92Å; T83-D85 PolarHBondContact O-N 2.86Å
84D62.4Low60.8Low69 Ų6989.7 Ų89.737%0.36953%0.534SS..  trans-88.199.6176.6-118.715.5000109.2R3 S86R3-D84 IonicContact CZ-OD2 3.12Å; R3-D84 IonicContact NH1-OD2 2.75Å; R3-D84 PolarHBondContact NH1-OD2 2.98Å; R3-D84 IonicContact NH2-OD2 2.65Å; R3-D84 PolarHBondContact NH2-OD2 3.45Å; D84-S86 PolarHBondContact O-N 2.75Å
85D49.8Very low58Low151 Ų15193.2 Ų93.281%0.80756%0.56SS**  trans-79.250.6177.2-74.3-22.8000112.3T83T83-D85 PolarHBondContact O-N 2.86Å
86S41.1Very low55.1Low103 Ų10399.1 Ų99.172%0.7260%0.598SS**  trans-106.158.7178.7-60.50000112.1D84D84-S86 PolarHBondContact O-N 2.75Å
87S37.9Very low52.1Low104 Ų104102.8 Ų102.873%0.72762%0.623SS**SBendtrans-164109.3159.248.70000109.7
88G27.8Very low49.4Very low83 Ų83107 Ų10786%0.85665%0.651SS**  trans-77154.7-175.300000115.8
89G26.5Very low46.6Very low77 Ų77111 Ų11179%0.79469%0.686SS**  trans82.7121.9166.200000113.9
90V30Very low43.8Very low144 Ų144118.7 Ų118.787%0.87372%0.717SS**  cis-154135.843.7169.10000109.2
91K26.3Very low41.3Very low205 Ų205120.6 Ų120.689%0.89173%0.734SS**  trans-72.6137.9169.2-67176.2175.8179.30109.9
92S30.1Very low38.9Very low123 Ų123121.4 Ų121.486%0.8675%0.751SS**  trans-144.8128155.9-167.40000110.5
93E28.9Very low36.5Very low186 Ų186125.6 Ų125.687%0.86977%0.771SS**  trans-68.7150.9-174.4-68.6159.7138.700113.4
94Q26Very low34.3Very low191 Ų191128 Ų12889%0.89379%0.785SS**  trans-83.7152.4164.5-81.3179-30.500111.1
95P30.8Very low33Very low121 Ų121130.2 Ų130.279%0.78680%0.802SS**  trans-120.8163.8141.76.815.3000113.2
96P31.5Very low32.3Very low125 Ų125126.7 Ų126.781%0.81279%0.789SS**  trans-95.5166.9-14836.9-35.3000116.4
97T28.7Very low32.2Very low132 Ų132129.5 Ų129.581%0.8179%0.79SS**  trans-66.2140.5178.9460000116
98V35.2Very low31.8Very low146 Ų146128 Ų12889%0.88578%0.78SS**  trans-150.5125.7142.1-177.10000112.6
99A34.5Very low32.3Very low98 Ų98134.1 Ų134.181%0.8178%0.779SS**  trans16.1140.2156.800000126.7
100K32Very low32.6Very low199 Ų199139.2 Ų139.287%0.86578%0.782SS**  trans-77.5-170.2166.1-122.2178.6-178.4178.20111.9
101P38.8Very low33Very low109 Ų109137.3 Ų137.371%0.70877%0.772SS**  cis-141.5175.3-6.832.5-8.3000116.8
102A36.7Very low33.4Very low87 Ų87136.6 Ų136.672%0.71977%0.772SS**  118.7146.6120.500000110
103T33.2Very low33.5Very low118 Ų118139 Ų13972%0.72477%0.77SS**  cis-168.8154.617.6-300000110
104T32.9Very low34Very low116 Ų116139.9 Ų139.971%0.71277%0.771SS**  trans62.9142.6146.718.60000121.1
105T35.2Very low34.4Very low117 Ų117137.3 Ų137.372%0.71877%0.768SS**  cis-166.7143.617.1-8.10000111
106S33.8Very low35Very low77 Ų77137.4 Ų137.454%0.53877%0.769SS.*  trans31.7130.1140.760.90000123.6
107H39.3Very low35.2Very low162 Ų162136.9 Ų136.975%0.7577%0.765SS**  -179.7144.483.3-88.5-66.7000112.6
108S30.4Very low35.6Very low73 Ų73139.9 Ų139.951%0.5177%0.767SS.*  trans-62.6169.3170.638.50000113.3
109Y37Very low35.8Very low210 Ų210138 Ų13882%0.82476%0.761SS**  -163.3169.451.4-63.1-90.4000112.5
110E34.1Very low36.1Very low185 Ų185138.1 Ų138.186%0.86476%0.756SS**  trans-75.6-174.5-167.5-120.7-164.5114.300117.2
111P37.3Very low36.4Very low103 Ų103135.4 Ų135.467%0.66976%0.756SS**  trans-120178-135.129.8-4.4000113.3
112E35.6Very low36.5Very low191 Ų191133.5 Ų133.589%0.89376%0.756SS**  trans-155.9147.5154.1-127.9176.2168.900115
113Q31.8Very low36.5Very low172 Ų172135.1 Ų135.180%0.80476%0.759SS**  trans-66.4154-172.7-64.1159.9-43.200113.9
114K39.6Very low36.7Very low206 Ų206139.4 Ų139.490%0.89677%0.768SS**  -178.2116.6128.3-98.2157.8-170.7177.90111.4
115T33.3Very low36.8Very low137 Ų137139.8 Ų139.884%0.8478%0.776SS**  trans-80.7148.7154.9450000110
116P43.5Very low36.7Very low123 Ų123138.3 Ų138.380%0.79978%0.783SS**  -145.7174.5117.527.8-6.1000114.7
117P37.1Very low36.7Very low113 Ų113138.2 Ų138.273%0.73480%0.795SS**  trans-116.2172-150.642.1-32.5000117.1
118K35.6Very low36.5Very low195 Ų195139.8 Ų139.885%0.84880%0.802SS**  trans64119.8150.5-77.2175.8-179.9-178.50120.1
119S40Very low37Very low108 Ų108142.1 Ų142.176%0.75582%0.816SS**  164.514597.648.70000113
120S41.4Very low36.9Very low100 Ų100137.4 Ų137.470%0.69981%0.814SS**  trans47.9138.3150.260.60000119.7
121T38.7Very low37.1Very low142 Ų142135.1 Ų135.187%0.87181%0.813SS**  cis176.1141.713.316.70000104
122G40.8Very low37Very low69 Ų69136.6 Ų136.671%0.71182%0.822SS**  trans151.6128.5166.300000114.3
123P35.6Very low36.8Very low120 Ų120130.8 Ų130.878%0.77981%0.813SS**  trans-91.3135.2-163.535.2-31.4000112.1
124F37.5Very low36.8Very low209 Ų209129.2 Ų129.292%0.91782%0.816SS**  trans-143.2126.8165.4-96.4-82.6000112
125S35.2Very low36.3Very low124 Ų124125.8 Ų125.887%0.86781%0.814SS**  trans-60147.8168.2-61.40000112.4
126G33.5Very low36.2Very low85 Ų85122.6 Ų122.688%0.87681%0.809SS**  trans115.5123.6151.900000115.6
127G34.5Very low35.5Very low76 Ų76122.5 Ų122.578%0.78481%0.81SS**  trans126.584.9155.400000115.6
128Q35Very low35.7Very low194 Ų194121.4 Ų121.491%0.90782%0.819SS**  trans-63.8139.6156.5-81.3175.3-64.200110.1
129P39.9Very low36.7Very low123 Ų123116.8 Ų116.880%0.79980%0.803SS**  trans-93.5108.7156.65.913.6000109.2
130S35.2Very low38Very low111 Ų111114.3 Ų114.378%0.77678%0.784SS**  trans-55.1134.7161.5460000111.1
131T39.1Very low40Very low137 Ų137119 Ų11984%0.8479%0.787SS**  trans-115.1138.9151.5430000108.9
132P33.2Very low42.4Very low133 Ų133115.2 Ų115.286%0.86476%0.763SS**  trans-94.5141-166.213.36.8000111.4
133G31.7Very low44.9Very low69 Ų69113.8 Ų113.871%0.71174%0.738SS**  trans163.989.4165.200000117
134T32Very low47.5Very low140 Ų140110.5 Ų110.586%0.85972%0.716SS**  trans80.6112.7157.4-22.60000118.6
135P29.8Very low50.2Low133 Ų133100.6 Ų100.686%0.86467%0.673SS**  trans-85.5116.3175.732.9-28000110.6
136G30.3Very low52.7Low71 Ų71100.4 Ų100.473%0.73266%0.658SS**SBendtrans174102.8172.600000111.2
137C30.4Very low55.3Low120 Ų12098.5 Ų98.581%0.81163%0.631SS**  trans45.289.4172.7-144.10000115.2L139C137-L139 VanDerWaalsContact C-N 3.26Å; C137-L139 PolarHBondContact O-N 2.84Å
138G40.4Very low57.9Low90 Ų9095.1 Ų95.193%0.92860%0.595SS**  trans-70.654.5-166.600000117.4
139L57.2Low60.3Low98 Ų9887.7 Ų87.751%0.51356%0.562SS.*  trans-85.6133.5168.7-71.2168.2000110.2C137C137-L139 VanDerWaalsContact C-N 3.26Å; C137-L139 PolarHBondContact O-N 2.84Å
140P65.9Low62.5Low56 Ų5684.2 Ų84.236%0.36454%0.539SS..  trans-61.7144.417725.8-33000110.6V142 T156 Y214P140-V142 WeakPolarHBondContact O-CG2 3.3Å; P140-V142 PolarHBondContact O-N 3.12Å; P140-T156 HydrophobicContact CB-CG2 4.07Å; P140-T156 HydrophobicContact CG-CG2 3.89Å; P140-Y214 HydrophobicContact CG-CD1 4.26Å
141R84.6Confident64.6Low199 Ų19985.3 Ų85.375%0.75153%0.527SS*.  trans-59.7113.9174.7-176.9179.5-179.6-179.82.1109.9F143R141-F143 HydrophobicContact CB-CE2 4.45Å; R141-F143 HydrophobicContact CG-CE2 3.98Å; R141-F143 HydrophobicContact CG-CZ 4.49Å; R141-F143 WeakPolarHBondContact O-CD2 3.27Å
142V89.5Confident66.5Low62 Ų6282 Ų8238%0.37650%0.503SS..BIsolated β-bridgetrans-83.8136179.9-1770000110.6P140 T156 R158 Y214P140-V142 WeakPolarHBondContact O-CG2 3.3Å; P140-V142 PolarHBondContact O-N 3.12Å; V142-T156 CarbonylContact C-O 3.51Å; V142-T156 VanDerWaalsContact CA-O 3.27Å; V142-T156 WeakPolarHBondContact CA-O 3.34Å; V142-R158 HydrophobicContact CG1-CB 3.72Å; V142-R158 HydrophobicContact CG2-CB 4.1Å; V142-Y214 HydrophobicContact CG2-CD1 4.48Å; V142-Y214 HydrophobicContact CG2-CE1 3.94Å
143F91.6Very high68.5Low40 Ų4082.2 Ų82.218%0.17550%0.496CS..  trans-112.9141.7173.5-72-102.9000109.4R141 L148 W155 T156 I157R141-F143 HydrophobicContact CB-CE2 4.45Å; R141-F143 HydrophobicContact CG-CE2 3.98Å; R141-F143 HydrophobicContact CG-CZ 4.49Å; R141-F143 WeakPolarHBondContact O-CD2 3.27Å; F143-L148 HydrophobicContact CB-CD2 4.13Å; F143-W155 HydrophobicContact CB-CB 4.38Å; F143-W155 HydrophobicContact CD2-CB 3.82Å; F143-W155 HydrophobicContact CE2-CB 4.28Å; F143-W155 HydrophobicContact CG-CB 4.09Å; F143-T156 PolarHBondContact N-O 2.87Å; F143-I157 VanDerWaalsContact O-CG2 3.28Å; F143-I157 WeakPolarHBondContact O-CG2 3.49Å
144P92Very high71Confident50 Ų5089.9 Ų89.933%0.32550%0.504SS..  trans-70.1142.117225.2-29.6000110.6Q146 S147 D186 S188P144-Q146 PolarHBondContact O-N 3.13Å; P144-S147 WeakPolarHBondContact CD-OG 3.02Å; P144-S147 WeakPolarHBondContact O-CB 3.41Å; P144-S147 PolarHBondContact O-N 3.2Å; P144-S147 PolarHBondContact O-OG 2.94Å; P144-D186 WeakPolarHBondContact CA-OD2 3.47Å; P144-S188 WeakPolarHBondContact CB-OG 3.5Å
145I92.5Very high73.8Confident2 Ų283.8 Ų83.81%0.0147%0.465CS..G310 helixtrans-47.9-45.5179.1-76.6167.2000111.5S147 L148 I157 A159 L184 D186 S188 G189 I191 N232I145-S147 PolarHBondContact O-N 3.48Å; I145-L148 WeakPolarHBondContact O-CB 3.28Å; I145-L148 WeakPolarHBondContact O-CG 3.38Å; I145-L148 PolarHBondContact O-N 2.87Å; I145-I157 HydrophobicContact CG1-CD1 4.02Å; I145-A159 HydrophobicContact CD1-CB 4.08Å; I145-L184 HydrophobicContact CD1-CB 4.4Å; I145-D186 WeakPolarHBondContact CB-OD2 3.3Å; I145-D186 HydrophobicContact CD1-CB 3.92Å; I145-D186 HydrophobicContact CG1-CB 4.41Å; I145-D186 VanDerWaalsContact CG1-OD2 3.26Å; I145-D186 WeakPolarHBondContact CG1-OD2 3.24Å; I145-D186 PolarHBondContact N-OD2 2.84Å; I145-S188 PolarHBondContact N-OG 2.94Å; I145-G189 WeakPolarHBondContact CD1-O 3.32Å; I145-I191 HydrophobicContact CD1-CG2 3.84Å; I145-I191 HydrophobicContact CG1-CG2 3.91Å; I145-I191 HydrophobicContact CG2-CB 3.69Å; I145-I191 HydrophobicContact CG2-CG2 3.89Å; I145-N232 WeakPolarHBondContact CG2-ND2 3.43Å
146Q87.9Confident76.8Confident119 Ų11978.4 Ų78.456%0.55643%0.43SS*.G310 helixtrans-67.2-17.9-177.1-163.763.622.200113.5P144 S188P144-Q146 PolarHBondContact O-N 3.13Å; Q146-S188 PolarHBondContact N-OG 3.39Å
147S88.5Confident79.9Confident45 Ų4575 Ų7532%0.31540%0.395SS..G310 helixtrans-85.8-14.5178.372.60000114P144 I145 N149 Q152P144-S147 WeakPolarHBondContact CD-OG 3.02Å; P144-S147 WeakPolarHBondContact O-CB 3.41Å; P144-S147 PolarHBondContact O-N 3.2Å; P144-S147 PolarHBondContact O-OG 2.94Å; I145-S147 PolarHBondContact O-N 3.48Å; S147-N149 PolarHBondContact O-ND2 3.35Å; S147-Q152 PolarHBondContact O-OE1 3.37Å
148L88.8Confident82.9Confident5 Ų571 Ų713%0.02636%0.362CS..  trans-67.7140.9-176.9-59.8-176.8000111.1F143 I145 W155 I157 L220 M236F143-L148 HydrophobicContact CB-CD2 4.13Å; I145-L148 WeakPolarHBondContact O-CB 3.28Å; I145-L148 WeakPolarHBondContact O-CG 3.38Å; I145-L148 PolarHBondContact O-N 2.87Å; L148-W155 HydrophobicContact CD1-CD2 4.48Å; L148-W155 HydrophobicContact CD1-CE3 4.39Å; L148-W155 HydrophobicContact CD2-CB 3.81Å; L148-W155 HydrophobicContact CD2-CD2 3.8Å; L148-W155 HydrophobicContact CD2-CE3 4.16Å; L148-W155 HydrophobicContact CD2-CG 3.63Å; L148-I157 HydrophobicContact CD1-CG2 3.7Å; L148-I157 HydrophobicContact CD2-CG2 4.07Å; L148-I157 HydrophobicContact CG-CG2 4.22Å; L148-L220 HydrophobicContact CB-CD2 3.85Å; L148-M236 HydrophobicContact CD1-CE 3.08Å
149N86.1Confident85.4Confident39 Ų3966.7 Ų66.721%0.20932%0.318CS..  trans-148.3158.7172.660.980.2000110.4S147 Y151 Q152 L220 Y234S147-N149 PolarHBondContact O-ND2 3.35Å; N149-Y151 PolarHBondContact O-N 2.98Å; N149-Y151 WeakPolarHBondContact OD1-CB 3.33Å; N149-Y151 PolarHBondContact OD1-N 2.68Å; N149-Q152 PolarHBondContact ND2-NE2 3.17Å; N149-Q152 PolarHBondContact ND2-OE1 3.17Å; N149-Q152 PolarHBondContact O-N 3.26Å; N149-Q152 VanDerWaalsContact O-N 3.07Å; N149-Q152 PolarHBondContact OD1-N 3.38Å; N149-L220 VanDerWaalsContact CA-CD2 3.43Å; N149-Y234 HydrophobicContact CB-CE2 4.3Å
150P85.3Confident87.1Confident49 Ų4963.1 Ų63.132%0.31830%0.298SS..THydrogen-bonded Turntrans-63.4-9.9-174.4-26.236.3000115.3L220 Y234P150-L220 HydrophobicContact CG-CD2 4.39Å; P150-Y234 HydrophobicContact CG-CD1 3.92Å; P150-Y234 HydrophobicContact CG-CE1 3.64Å
151Y80.1Confident88.3Confident134 Ų13460.5 Ų60.553%0.52528%0.281SS..THydrogen-bonded Turntrans-93.3-5.7-179.6-51.5-76.4000112.6N149N149-Y151 PolarHBondContact O-N 2.98Å; N149-Y151 WeakPolarHBondContact OD1-CB 3.33Å; N149-Y151 PolarHBondContact OD1-N 2.68Å
152Q77.8Confident88.4Confident69 Ų6951.3 Ų51.332%0.32225%0.247SC..  trans-99.7110.6174.8-70.3173.9-11.400109.8S147 N149 W155S147-Q152 PolarHBondContact O-OE1 3.37Å; N149-Q152 PolarHBondContact ND2-NE2 3.17Å; N149-Q152 PolarHBondContact ND2-OE1 3.17Å; N149-Q152 PolarHBondContact O-N 3.26Å; N149-Q152 VanDerWaalsContact O-N 3.07Å; N149-Q152 PolarHBondContact OD1-N 3.38Å; Q152-W155 PolarHBondContact O-NE1 3.06Å; Q152-W155 VanDerWaalsContact O-NE1 3.14Å
153N75.7Confident88.1Confident137 Ų13749.7 Ų49.773%0.73324%0.236SC*.  trans-93.4-13.6179.3-63.7-25.5000113.3
154R84.8Confident87.9Confident230 Ų23050.2 Ų50.287%0.86824%0.238SC*.SBendtrans-120.494.4-178-68.6-174.9-177.8-176.20.9110.2
155W91.1Very high87.6Confident11 Ų1148.5 Ų48.54%0.04223%0.227CC..  trans-146.515817451.7-98.7000109F143 L148 Q152 I157 V215 S216 A218 M236F143-W155 HydrophobicContact CB-CB 4.38Å; F143-W155 HydrophobicContact CD2-CB 3.82Å; F143-W155 HydrophobicContact CE2-CB 4.28Å; F143-W155 HydrophobicContact CG-CB 4.09Å; L148-W155 HydrophobicContact CD1-CD2 4.48Å; L148-W155 HydrophobicContact CD1-CE3 4.39Å; L148-W155 HydrophobicContact CD2-CB 3.81Å; L148-W155 HydrophobicContact CD2-CD2 3.8Å; L148-W155 HydrophobicContact CD2-CE3 4.16Å; L148-W155 HydrophobicContact CD2-CG 3.63Å; Q152-W155 PolarHBondContact O-NE1 3.06Å; Q152-W155 VanDerWaalsContact O-NE1 3.14Å; W155-I157 HydrophobicContact CE3-CG2 3.95Å; W155-I157 HydrophobicContact CZ3-CG1 4.17Å; W155-I157 HydrophobicContact CZ3-CG2 4.21Å; W155-V215 HydrophobicContact CH2-CG1 4.48Å; W155-V215 HydrophobicContact CZ3-CG1 4.36Å; W155-V215 VanDerWaalsContact CZ3-O 3.3Å; W155-V215 WeakPolarHBondContact CZ3-O 3.46Å; W155-S216 VanDerWaalsContact O-CB 3.31Å; W155-S216 WeakPolarHBondContact O-CB 3.44Å; W155-A218 HydrophobicContact CH2-CB 3.78Å; W155-A218 HydrophobicContact CZ2-CB 4.12Å; W155-A218 WeakPolarHBondContact CZ2-O 3.34Å; W155-M236 HydrophobicContact CH2-CE 3.44Å; W155-M236 VanDerWaalsContact CH2-CE 3.44Å; W155-M236 HydrophobicContact CH2-SD 3.58Å; W155-M236 VanDerWaalsContact CH2-SD 3.58Å; W155-M236 HydrophobicContact CZ2-CE 4.08Å; W155-M236 HydrophobicContact CZ2-SD 4.39Å; W155-M236 HydrophobicContact CZ3-CE 3.74Å; W155-M236 HydrophobicContact CZ3-SD 4.2Å
156T93.3Very high87.1Confident20 Ų2049.9 Ų49.912%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-134.4133.7165.9-60.80000105.9P140 V142 F143 Y214 V215 S216P140-T156 HydrophobicContact CB-CG2 4.07Å; P140-T156 HydrophobicContact CG-CG2 3.89Å; V142-T156 CarbonylContact C-O 3.51Å; V142-T156 VanDerWaalsContact CA-O 3.27Å; V142-T156 WeakPolarHBondContact CA-O 3.34Å; F143-T156 PolarHBondContact N-O 2.87Å; T156-Y214 HydrophobicContact CG2-CD1 3.95Å; T156-V215 CarbonylContact C-O 3.59Å; T156-V215 WeakPolarHBondContact CA-O 3.14Å; T156-S216 WeakPolarHBondContact OG1-CB 3.3Å
157I93.6Very high87.1Confident0 Ų046.6 Ų46.60%022%0.224CC..EExtended strand (participates in β ladder)trans-108.2152.2171.364172.3000109.3F143 I145 L148 W155 A159 L184 I191 Y214 V215 M236F143-I157 VanDerWaalsContact O-CG2 3.28Å; F143-I157 WeakPolarHBondContact O-CG2 3.49Å; I145-I157 HydrophobicContact CG1-CD1 4.02Å; L148-I157 HydrophobicContact CD1-CG2 3.7Å; L148-I157 HydrophobicContact CD2-CG2 4.07Å; L148-I157 HydrophobicContact CG-CG2 4.22Å; W155-I157 HydrophobicContact CE3-CG2 3.95Å; W155-I157 HydrophobicContact CZ3-CG1 4.17Å; W155-I157 HydrophobicContact CZ3-CG2 4.21Å; I157-A159 HydrophobicContact CD1-CB 4.48Å; I157-L184 HydrophobicContact CD1-CD1 3.76Å; I157-I191 HydrophobicContact CD1-CG2 4.35Å; I157-Y214 CarbonylContact O-C 3.57Å; I157-Y214 VanDerWaalsContact O-CA 3.26Å; I157-Y214 WeakPolarHBondContact O-CA 3.4Å; I157-V215 HydrophobicContact CD1-CB 4.33Å; I157-V215 HydrophobicContact CG1-CB 3.86Å; I157-V215 PolarHBondContact N-O 2.69Å; I157-V215 PolarHBondContact O-N 2.67Å; I157-M236 HydrophobicContact CD1-CE 3.62Å; I157-M236 HydrophobicContact CD1-SD 4.26Å
158R93.9Very high86.8Confident35 Ų3550.1 Ų50.113%0.13223%0.231CC..EExtended strand (participates in β ladder)trans-119.3111.2172.5-174.4-167.6-176.1-155.2-1.8106.4V142 V212 Y214 C247 D249 D251 L255V142-R158 HydrophobicContact CG1-CB 3.72Å; V142-R158 HydrophobicContact CG2-CB 4.1Å; R158-V212 HydrophobicContact CG-CG1 3.98Å; R158-Y214 HydrophobicContact CB-CD1 3.95Å; R158-Y214 HydrophobicContact CB-CE1 3.7Å; R158-Y214 HydrophobicContact CG-CD1 4.15Å; R158-Y214 HydrophobicContact CG-CE1 3.65Å; R158-Y214 PolarHBondContact NE-OH 2.9Å; R158-C247 PolarHBondContact NE-SG 3.07Å; R158-C247 PolarHBondContact NH2-SG 3.3Å; R158-C247 VanDerWaalsContact NH2-SG 3.4Å; R158-D249 IonicContact CZ-OD2 3.89Å; R158-D249 IonicContact NH2-OD2 3.75Å; R158-D251 PolarHBondContact NH1-O 2.82Å; R158-D251 PolarHBondContact NH2-O 2.83Å; R158-L255 HydrophobicContact CG-CD1 4.22Å; R158-L255 WeakPolarHBondContact O-CD2 3.42Å
159A93.6Very high86.7Confident0 Ų054 Ų540%026%0.255CS..EExtended strand (participates in β ladder)trans-147.2151.1-171.300000111.6I145 I157 L184 V185 D186 V212 Y213I145-A159 HydrophobicContact CD1-CB 4.08Å; I157-A159 HydrophobicContact CD1-CB 4.48Å; A159-L184 HydrophobicContact CB-CB 3.76Å; A159-L184 HydrophobicContact CB-CD1 4.44Å; A159-L184 HydrophobicContact CB-CD2 4.15Å; A159-L184 HydrophobicContact CB-CG 4.34Å; A159-V185 WeakPolarHBondContact CA-O 3.49Å; A159-V185 WeakPolarHBondContact CB-O 3.46Å; A159-D186 HydrophobicContact CB-CB 4.36Å; A159-V212 WeakPolarHBondContact O-CA 3.47Å; A159-Y213 PolarHBondContact N-O 2.81Å; A159-Y213 VanDerWaalsContact N-O 3.08Å; A159-Y213 PolarHBondContact O-N 3.39Å
160R92.8Very high86.6Confident24 Ų2456.8 Ų56.89%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-86.4139.3175.5-169.7-177.9-61.9-96.36.7109.7S162 L184 V185 N210 K211 V212 P256R160-S162 PolarHBondContact O-N 2.91Å; R160-L184 CarbonylContact O-C 3.42Å; R160-L184 WeakPolarHBondContact O-CA 3.45Å; R160-V185 HydrophobicContact CB-CG1 4.08Å; R160-V185 PolarHBondContact N-O 2.91Å; R160-V185 PolarHBondContact O-N 3.5Å; R160-N210 PolarHBondContact NH1-O 2.82Å; R160-K211 WeakPolarHBondContact CA-O 3.38Å; R160-V212 HydrophobicContact CB-CG2 4.09Å; R160-V212 HydrophobicContact CG-CG2 4.21Å; R160-P256 PolarHBondContact NE-O 2.81Å
161V91.4Very high86.5Confident0 Ų058.4 Ų58.40%028%0.275CS..EExtended strand (participates in β ladder)trans-76.6112.3172.3178.40000108.7F182 T183 L184 I207 E208 V209 N210 K211 Y213V161-F182 HydrophobicContact CG1-CB 4.29Å; V161-F182 HydrophobicContact CG2-CD2 4.26Å; V161-T183 CarbonylContact C-O 3.48Å; V161-T183 WeakPolarHBondContact CA-O 3.3Å; V161-L184 HydrophobicContact CG2-CD2 3.68Å; V161-I207 HydrophobicContact CG1-CG2 4.15Å; V161-I207 HydrophobicContact CG2-CG2 3.93Å; V161-E208 WeakPolarHBondContact CB-O 3.47Å; V161-V209 HydrophobicContact CG1-CG2 4.44Å; V161-N210 WeakPolarHBondContact O-CA 3.41Å; V161-N210 PolarHBondContact O-N 2.82Å; V161-K211 PolarHBondContact N-O 2.93Å; V161-Y213 HydrophobicContact CG2-CD2 3.57Å; V161-Y213 HydrophobicContact CG2-CE2 3.64Å
162S86Confident86.5Confident7 Ų758.8 Ų58.85%0.04928%0.279CS..EExtended strand (participates in β ladder)trans-87.7-31.8178.463.90000112.6R160 T183R160-S162 PolarHBondContact O-N 2.91Å; S162-T183 PolarHBondContact N-O 2.66Å; S162-T183 WeakPolarHBondContact OG-CB 3.34Å; S162-T183 WeakPolarHBondContact OG-CG2 3.33Å; S162-T183 PolarHBondContact OG-O 2.82Å
163Q83Confident86.6Confident28 Ų2864.2 Ų64.213%0.13130%0.304CS..EExtended strand (participates in β ladder)trans-146.4149.3-177.2-62-177.8-16.400111F182 T183Q163-F182 CarbonylContact O-C 3.59Å; Q163-F182 WeakPolarHBondContact O-CA 3.42Å; Q163-F182 WeakPolarHBondContact O-CB 3.28Å; Q163-T183 PolarHBondContact O-N 3.07Å
164K87.2Confident86.8Confident51 Ų5161.2 Ų61.222%0.22231%0.306CS..EExtended strand (participates in β ladder)trans-139.7132.3174.1-179.2-176.4178.4-176.30109.2F182 Y204 I207 V209K164-F182 HydrophobicContact CB-CB 4.41Å; K164-Y204 VanDerWaalsContact CE-CE2 3.49Å; K164-Y204 WeakPolarHBondContact CE-O 3.26Å; K164-Y204 PolarHBondContact NZ-O 3.12Å; K164-I207 WeakPolarHBondContact CD-O 3.25Å; K164-I207 WeakPolarHBondContact CE-O 3.45Å; K164-I207 PolarHBondContact NZ-O 2.81Å; K164-V209 HydrophobicContact CB-CG2 3.79Å
165S85.3Confident86.8Confident14 Ų1459.5 Ų59.510%0.09830%0.3CS..PPolyproline II helixtrans-86.7155.5175.781.10000111.6N181 Y204S165-N181 PolarHBondContact N-O 3.2Å; S165-N181 PolarHBondContact OG-N 3.39Å; S165-N181 PolarHBondContact OG-O 2.82Å; S165-Y204 WeakPolarHBondContact O-CE2 3.37Å
166A82.7Confident86.7Confident30 Ų3065.1 Ų65.125%0.24833%0.33CS..PPolyproline II helixtrans-60.7162.9160.900000111.7
167I87.5Confident86.6Confident50 Ų5064.6 Ų64.626%0.25633%0.329SS..PPolyproline II helixtrans-69.9132174-60.3177.4000108.8K178 V200 Y204I167-K178 HydrophobicContact CG2-CB 3.9Å; I167-K178 HydrophobicContact CG2-CD 4.38Å; I167-V200 HydrophobicContact CD1-CG1 3.72Å; I167-V200 HydrophobicContact CG1-CG1 3.89Å; I167-V200 HydrophobicContact CG2-CG1 4.28Å; I167-Y204 HydrophobicContact CD1-CD1 3.9Å; I167-Y204 HydrophobicContact CD1-CD2 4.16Å; I167-Y204 HydrophobicContact CD1-CE1 3.97Å; I167-Y204 HydrophobicContact CD1-CE2 4.23Å; I167-Y204 HydrophobicContact CD1-CG 3.99Å; I167-Y204 HydrophobicContact CG1-CD1 4.25Å; I167-Y204 HydrophobicContact CG1-CD2 3.72Å; I167-Y204 HydrophobicContact CG1-CE1 4.04Å; I167-Y204 HydrophobicContact CG1-CE2 3.5Å; I167-Y204 VanDerWaalsContact CG1-CE2 3.5Å; I167-Y204 HydrophobicContact CG1-CG 4.08Å
168R83.6Confident86.6Confident120 Ų12067.2 Ų67.245%0.45334%0.34SS..EExtended strand (participates in β ladder)trans-112.5129.1175-69.7-177.8175.4-142.6-15.4110.2K178 L179 P355R168-K178 CarbonylContact O-C 3.6Å; R168-K178 VanDerWaalsContact O-CA 3.23Å; R168-K178 WeakPolarHBondContact O-CA 3.33Å; R168-L179 HydrophobicContact CB-CD1 4.14Å; R168-L179 HydrophobicContact CB-CG 4.25Å; R168-L179 PolarHBondContact N-O 2.97Å; R168-L179 PolarHBondContact O-N 2.94Å; R168-P355 VanDerWaalsContact NH2-CG 3.28Å
169T85.4Confident86.6Confident87 Ų8767.3 Ų67.353%0.53434%0.343SS..EExtended strand (participates in β ladder)trans-98.1143.5173.356.80000111.3G177 K178T169-G177 CarbonylContact C-O 3.58Å; T169-G177 WeakPolarHBondContact CA-O 3.29Å; T169-K178 HydrophobicContact CG2-CB 4.41Å
170W84.8Confident86.5Confident97 Ų9767.3 Ų67.337%0.36734%0.343SS..EExtended strand (participates in β ladder)trans-136.6148.417459.4-91.1000109.5K172 D176 G177W170-K172 HydrophobicContact CE3-CB 3.95Å; W170-K172 HydrophobicContact CZ3-CB 3.87Å; W170-D176 WeakPolarHBondContact O-CA 3.47Å; W170-G177 PolarHBondContact N-O 2.86Å; W170-G177 PolarHBondContact O-N 3.49Å
171S82.1Confident86.5Confident83 Ų8367.3 Ų67.358%0.5835%0.345SS*.EExtended strand (participates in β ladder)trans-127.2124.1171.8-171.60000108.5R175 D176S171-R175 WeakPolarHBondContact CA-O 3.29Å; S171-D176 WeakPolarHBondContact CB-OD1 3.48Å; S171-D176 PolarHBondContact OG-OD1 3.02Å
172K81.8Confident86.5Confident141 Ų14167.3 Ų67.361%0.61335%0.345SS*.EExtended strand (participates in β ladder)trans-137.5122.2177.5-172.5177.7-179.6179.60109.4W170 G174 R175W170-K172 HydrophobicContact CE3-CB 3.95Å; W170-K172 HydrophobicContact CZ3-CB 3.87Å; K172-G174 VanDerWaalsContact C-N 3.26Å; K172-G174 PolarHBondContact O-N 2.71Å; K172-R175 PolarHBondContact N-O 3.31Å; K172-R175 PolarHBondContact O-N 2.74Å
173Q78.8Confident86.7Confident183 Ų18367 Ų6786%0.85534%0.343SS*.THydrogen-bonded Turntrans5341.7177.5-62.3174.3-13.800113.1R175Q173-R175 PolarHBondContact O-N 3.11Å
174G79.7Confident87.2Confident74 Ų7465.7 Ų65.776%0.76334%0.337SS*.THydrogen-bonded Turntrans74.25.4-179.500000115K172K172-G174 VanDerWaalsContact C-N 3.26Å; K172-G174 PolarHBondContact O-N 2.71Å
175R85.2Confident87.4Confident195 Ų19564 Ų6474%0.73633%0.331SS*.EExtended strand (participates in β ladder)trans-99.4120.6167.1-62.3-172.8-161.2-178.95.2109.5S171 K172 Q173S171-R175 WeakPolarHBondContact CA-O 3.29Å; K172-R175 PolarHBondContact N-O 3.31Å; K172-R175 PolarHBondContact O-N 2.74Å; Q173-R175 PolarHBondContact O-N 3.11Å
176D89.8Confident87.6Confident129 Ų12963.6 Ų63.669%0.6933%0.327SS*.EExtended strand (participates in β ladder)trans-90.3140.1170.4-61.8-21.7000109.3W170 S171W170-D176 WeakPolarHBondContact O-CA 3.47Å; S171-D176 WeakPolarHBondContact CB-OD1 3.48Å; S171-D176 PolarHBondContact OG-OD1 3.02Å
177G91.5Very high87.9Confident9 Ų968 Ų689%0.09334%0.343CS..EExtended strand (participates in β ladder)trans-145.9162.3177.800000111.4T169 W170 N197T169-G177 CarbonylContact C-O 3.58Å; T169-G177 WeakPolarHBondContact CA-O 3.29Å; W170-G177 PolarHBondContact N-O 2.86Å; W170-G177 PolarHBondContact O-N 3.49Å; G177-N197 VanDerWaalsContact CA-OD1 3.24Å; G177-N197 WeakPolarHBondContact CA-OD1 3.33Å
178K93.2Very high87.9Confident55 Ų5567.5 Ų67.524%0.23934%0.344CS..EExtended strand (participates in β ladder)trans-130.5152.9175.459.9-179174.1-170.10110.7I167 R168 T169 F196 N197 V200 D201I167-K178 HydrophobicContact CG2-CB 3.9Å; I167-K178 HydrophobicContact CG2-CD 4.38Å; R168-K178 CarbonylContact O-C 3.6Å; R168-K178 VanDerWaalsContact O-CA 3.23Å; R168-K178 WeakPolarHBondContact O-CA 3.33Å; T169-K178 HydrophobicContact CG2-CB 4.41Å; K178-F196 CarbonylContact O-C 3.55Å; K178-F196 WeakPolarHBondContact O-CA 3.47Å; K178-N197 WeakPolarHBondContact CE-O 3.33Å; K178-N197 PolarHBondContact N-OD1 2.94Å; K178-N197 PolarHBondContact O-N 3.43Å; K178-N197 PolarHBondContact O-OD1 3.4Å; K178-V200 HydrophobicContact CD-CB 4.18Å; K178-V200 HydrophobicContact CD-CG1 4.21Å; K178-V200 HydrophobicContact CD-CG2 4.45Å; K178-V200 HydrophobicContact CG-CB 4.21Å; K178-V200 HydrophobicContact CG-CG2 3.95Å; K178-D201 WeakPolarHBondContact CE-OD2 3.48Å; K178-D201 IonicContact NZ-OD1 2.54Å; K178-D201 PolarHBondContact NZ-OD1 3.27Å; K178-D201 IonicContact NZ-OD2 2.89Å; K178-D201 PolarHBondContact NZ-OD2 2.8Å
179L92.9Very high88Confident37 Ų3762.8 Ų62.819%0.19433%0.333CS..EExtended strand (participates in β ladder)trans-146.4155.5174.167.187.7000110.5R168 G195 F196R168-L179 HydrophobicContact CB-CD1 4.14Å; R168-L179 HydrophobicContact CB-CG 4.25Å; R168-L179 PolarHBondContact N-O 2.97Å; R168-L179 PolarHBondContact O-N 2.94Å; L179-G195 WeakPolarHBondContact CA-O 3.45Å; L179-G195 WeakPolarHBondContact CB-O 3.44Å; L179-F196 HydrophobicContact CB-CD1 3.77Å; L179-F196 HydrophobicContact CB-CE1 3.97Å; L179-F196 HydrophobicContact CB-CG 4.45Å; L179-F196 HydrophobicContact CD2-CD1 4.23Å; L179-F196 HydrophobicContact CD2-CE1 3.71Å; L179-F196 HydrophobicContact CG-CE1 4.49Å
180F92.4Very high88.2Confident0 Ų062.8 Ų62.80%033%0.327CS..EExtended strand (participates in β ladder)trans-138.5159.3162.983.3-70.3000108.5F182 T194 G195 V200 F203 Y204F180-F182 HydrophobicContact CD2-CD1 4.17Å; F180-F182 AromaticContact CE2-CD1 3.47Å; F180-F182 HydrophobicContact CE2-CD1 3.47Å; F180-F182 VanDerWaalsContact CE2-CD1 3.47Å; F180-F182 AromaticContact CE2-CE1 3.93Å; F180-F182 HydrophobicContact CE2-CE1 3.93Å; F180-F182 HydrophobicContact CE2-CG 4.47Å; F180-F182 AromaticContact CZ-CD1 3.95Å; F180-F182 HydrophobicContact CZ-CD1 3.95Å; F180-F182 AromaticContact CZ-CE1 3.92Å; F180-F182 HydrophobicContact CZ-CE1 3.92Å; F180-T194 WeakPolarHBondContact O-CA 3.41Å; F180-G195 PolarHBondContact N-O 3.28Å; F180-G195 VanDerWaalsContact N-O 3.08Å; F180-G195 PolarHBondContact O-N 2.94Å; F180-V200 HydrophobicContact CD1-CB 4.12Å; F180-V200 HydrophobicContact CD1-CG1 3.91Å; F180-V200 HydrophobicContact CD1-CG2 3.93Å; F180-F203 HydrophobicContact CE1-CB 4.45Å; F180-F203 HydrophobicContact CZ-CB 4.04Å; F180-Y204 HydrophobicContact CB-CD2 3.82Å; F180-Y204 HydrophobicContact CB-CE2 4Å; F180-Y204 HydrophobicContact CD1-CD2 4.09Å; F180-Y204 AromaticContact CD2-CD2 3.51Å; F180-Y204 HydrophobicContact CD2-CD2 3.51Å; F180-Y204 HydrophobicContact CD2-CE2 4.04Å; F180-Y204 HydrophobicContact CE2-CD2 4Å; F180-Y204 AromaticContact CG-CD2 3.54Å; F180-Y204 HydrophobicContact CG-CD2 3.54Å; F180-Y204 HydrophobicContact CG-CE2 4.15Å; F180-Y204 HydrophobicContact CZ-CD2 4.5Å
181N91.7Very high88.5Confident23 Ų2358.2 Ų58.212%0.12331%0.31CS..EExtended strand (participates in β ladder)trans-130.9157.5172.359.873.6000111.1S165 R192 V193S165-N181 PolarHBondContact N-O 3.2Å; S165-N181 PolarHBondContact OG-N 3.39Å; S165-N181 PolarHBondContact OG-O 2.82Å; N181-R192 HydrophobicContact CB-CG 4.29Å; N181-R192 PolarHBondContact OD1-NH1 3.21Å; N181-V193 CarbonylContact C-O 3.57Å; N181-V193 WeakPolarHBondContact CA-O 3.41Å; N181-V193 VanDerWaalsContact CB-O 3.27Å; N181-V193 WeakPolarHBondContact CB-O 3.29Å
182F92.1Very high89Confident1 Ų154.9 Ų54.90%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-144.7155.8173.459.6-83.1000109.3V161 Q163 K164 F180 L184 V193 I207 L238V161-F182 HydrophobicContact CG1-CB 4.29Å; V161-F182 HydrophobicContact CG2-CD2 4.26Å; Q163-F182 CarbonylContact O-C 3.59Å; Q163-F182 WeakPolarHBondContact O-CA 3.42Å; Q163-F182 WeakPolarHBondContact O-CB 3.28Å; K164-F182 HydrophobicContact CB-CB 4.41Å; F180-F182 HydrophobicContact CD2-CD1 4.17Å; F180-F182 AromaticContact CE2-CD1 3.47Å; F180-F182 HydrophobicContact CE2-CD1 3.47Å; F180-F182 VanDerWaalsContact CE2-CD1 3.47Å; F180-F182 AromaticContact CE2-CE1 3.93Å; F180-F182 HydrophobicContact CE2-CE1 3.93Å; F180-F182 HydrophobicContact CE2-CG 4.47Å; F180-F182 AromaticContact CZ-CD1 3.95Å; F180-F182 HydrophobicContact CZ-CD1 3.95Å; F180-F182 AromaticContact CZ-CE1 3.92Å; F180-F182 HydrophobicContact CZ-CE1 3.92Å; F182-L184 HydrophobicContact CD2-CD2 4.11Å; F182-L184 HydrophobicContact CD2-CG 4.08Å; F182-L184 HydrophobicContact CE2-CD1 4.09Å; F182-L184 HydrophobicContact CE2-CD2 3.97Å; F182-L184 HydrophobicContact CE2-CG 3.91Å; F182-V193 HydrophobicContact CD1-CB 4.14Å; F182-V193 HydrophobicContact CD1-CG1 4.47Å; F182-V193 HydrophobicContact CD2-CB 4.11Å; F182-V193 HydrophobicContact CD2-CG2 4.29Å; F182-V193 HydrophobicContact CE1-CB 3.76Å; F182-V193 HydrophobicContact CE1-CG1 3.65Å; F182-V193 HydrophobicContact CE2-CB 3.72Å; F182-V193 HydrophobicContact CE2-CG1 4.09Å; F182-V193 HydrophobicContact CE2-CG2 3.8Å; F182-V193 HydrophobicContact CG-CB 4.32Å; F182-V193 HydrophobicContact CZ-CB 3.55Å; F182-V193 HydrophobicContact CZ-CG1 3.44Å; F182-V193 VanDerWaalsContact CZ-CG1 3.44Å; F182-V193 HydrophobicContact CZ-CG2 4.04Å; F182-V193 PolarHBondContact N-O 2.96Å; F182-V193 PolarHBondContact O-N 2.88Å; F182-I207 HydrophobicContact CB-CG2 4.37Å; F182-I207 HydrophobicContact CD1-CG2 4.39Å; F182-I207 HydrophobicContact CD2-CG2 4.17Å; F182-I207 HydrophobicContact CE1-CG1 4.49Å; F182-I207 HydrophobicContact CE2-CD1 4.46Å; F182-I207 HydrophobicContact CG-CG2 4.08Å; F182-I207 HydrophobicContact CZ-CD1 4.34Å; F182-I207 HydrophobicContact CZ-CG1 4.46Å; F182-L238 HydrophobicContact CE1-CD1 3.92Å; F182-L238 HydrophobicContact CZ-CD1 4.12Å
183T90.3Very high89.6Confident1 Ų148.2 Ų48.21%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-109.9130.8-179.9-55.80000108.9V161 S162 Q163 E190 I191 T230V161-T183 CarbonylContact C-O 3.48Å; V161-T183 WeakPolarHBondContact CA-O 3.3Å; S162-T183 PolarHBondContact N-O 2.66Å; S162-T183 WeakPolarHBondContact OG-CB 3.34Å; S162-T183 WeakPolarHBondContact OG-CG2 3.33Å; S162-T183 PolarHBondContact OG-O 2.82Å; Q163-T183 PolarHBondContact O-N 3.07Å; T183-E190 HydrophobicContact CG2-CB 4.14Å; T183-I191 WeakPolarHBondContact CA-O 3.36Å; T183-T230 HydrophobicContact CG2-CG2 3.9Å
184L92.5Very high90.4Very high0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-103.2142.2174.9-69.7175.5000109.5I145 I157 A159 R160 V161 F182 E190 I191 V193 V215I145-L184 HydrophobicContact CD1-CB 4.4Å; I157-L184 HydrophobicContact CD1-CD1 3.76Å; A159-L184 HydrophobicContact CB-CB 3.76Å; A159-L184 HydrophobicContact CB-CD1 4.44Å; A159-L184 HydrophobicContact CB-CD2 4.15Å; A159-L184 HydrophobicContact CB-CG 4.34Å; R160-L184 CarbonylContact O-C 3.42Å; R160-L184 WeakPolarHBondContact O-CA 3.45Å; V161-L184 HydrophobicContact CG2-CD2 3.68Å; F182-L184 HydrophobicContact CD2-CD2 4.11Å; F182-L184 HydrophobicContact CD2-CG 4.08Å; F182-L184 HydrophobicContact CE2-CD1 4.09Å; F182-L184 HydrophobicContact CE2-CD2 3.97Å; F182-L184 HydrophobicContact CE2-CG 3.91Å; L184-E190 CarbonylContact O-C 3.55Å; L184-E190 VanDerWaalsContact O-CA 3.24Å; L184-E190 WeakPolarHBondContact O-CA 3.21Å; L184-I191 HydrophobicContact CB-CG2 4.03Å; L184-I191 PolarHBondContact N-O 3.33Å; L184-I191 PolarHBondContact O-N 3.16Å; L184-V193 HydrophobicContact CD1-CG2 3.59Å; L184-V193 HydrophobicContact CG-CG2 4.02Å; L184-V215 HydrophobicContact CD1-CB 4.4Å; L184-V215 HydrophobicContact CD1-CG2 3.78Å
185V91.4Very high91.1Very high16 Ų1636.6 Ų36.610%0.09718%0.182CC..EExtended strand (participates in β ladder)trans-130.1136.1175.969.10000111A159 R160 G189 E190 P256A159-V185 WeakPolarHBondContact CA-O 3.49Å; A159-V185 WeakPolarHBondContact CB-O 3.46Å; R160-V185 HydrophobicContact CB-CG1 4.08Å; R160-V185 PolarHBondContact N-O 2.91Å; R160-V185 PolarHBondContact O-N 3.5Å; V185-G189 WeakPolarHBondContact CA-O 3.2Å; V185-E190 HydrophobicContact CB-CG 4.14Å; V185-E190 HydrophobicContact CG2-CG 3.78Å; V185-P256 HydrophobicContact CB-CG 4.44Å; V185-P256 HydrophobicContact CG1-CG 4.17Å; V185-P256 HydrophobicContact CG2-CG 3.62Å
186D91.3Very high91.6Very high4 Ų430.4 Ų30.42%0.02116%0.16CC..  trans-131.6-174.8169.675.83.1000110.1P144 I145 A159 S188 G189 L255 P256P144-D186 WeakPolarHBondContact CA-OD2 3.47Å; I145-D186 WeakPolarHBondContact CB-OD2 3.3Å; I145-D186 HydrophobicContact CD1-CB 3.92Å; I145-D186 HydrophobicContact CG1-CB 4.41Å; I145-D186 VanDerWaalsContact CG1-OD2 3.26Å; I145-D186 WeakPolarHBondContact CG1-OD2 3.24Å; I145-D186 PolarHBondContact N-OD2 2.84Å; A159-D186 HydrophobicContact CB-CB 4.36Å; D186-S188 PolarHBondContact O-N 2.78Å; D186-S188 VanDerWaalsContact O-N 3.13Å; D186-S188 WeakPolarHBondContact OD1-CA 3.44Å; D186-S188 WeakPolarHBondContact OD1-CB 3.26Å; D186-S188 PolarHBondContact OD1-N 3.22Å; D186-S188 PolarHBondContact OD1-OG 3.46Å; D186-S188 PolarHBondContact OD2-OG 3.43Å; D186-G189 PolarHBondContact N-O 3.14Å; D186-G189 VanDerWaalsContact N-O 3.1Å; D186-G189 PolarHBondContact O-N 2.94Å; D186-G189 PolarHBondContact OD1-N 3.22Å; D186-L255 HydrophobicContact CB-CD2 3.95Å; D186-P256 WeakPolarHBondContact O-CG 3.38Å
187E88.6Confident91.8Very high122 Ų12227.6 Ų27.657%0.5715%0.145SC*.SBendtrans-61.3-17.9179.267.5-80.1-178.300114.6
188S87.7Confident92Very high40 Ų4030.1 Ų30.128%0.2817%0.165SC..SBendtrans-100-25.6-174.478.40000113.8P144 I145 Q146 D186P144-S188 WeakPolarHBondContact CB-OG 3.5Å; I145-S188 PolarHBondContact N-OG 2.94Å; Q146-S188 PolarHBondContact N-OG 3.39Å; D186-S188 PolarHBondContact O-N 2.78Å; D186-S188 VanDerWaalsContact O-N 3.13Å; D186-S188 WeakPolarHBondContact OD1-CA 3.44Å; D186-S188 WeakPolarHBondContact OD1-CB 3.26Å; D186-S188 PolarHBondContact OD1-N 3.22Å; D186-S188 PolarHBondContact OD1-OG 3.46Å; D186-S188 PolarHBondContact OD2-OG 3.43Å
189G85.2Confident92.1Very high22 Ų2229.1 Ų29.123%0.22716%0.162CC..  trans162.7-164.517800000114.4I145 V185 D186I145-G189 WeakPolarHBondContact CD1-O 3.32Å; V185-G189 WeakPolarHBondContact CA-O 3.2Å; D186-G189 PolarHBondContact N-O 3.14Å; D186-G189 VanDerWaalsContact N-O 3.1Å; D186-G189 PolarHBondContact O-N 2.94Å; D186-G189 PolarHBondContact OD1-N 3.22Å
190E90.3Very high92.2Very high87 Ų8727.4 Ų27.441%0.40715%0.153SC..EExtended strand (participates in β ladder)trans-113.4148.2-179.6-66.7-179.5178.900111.2T183 L184 V185 T230 N232T183-E190 HydrophobicContact CG2-CB 4.14Å; L184-E190 CarbonylContact O-C 3.55Å; L184-E190 VanDerWaalsContact O-CA 3.24Å; L184-E190 WeakPolarHBondContact O-CA 3.21Å; V185-E190 HydrophobicContact CB-CG 4.14Å; V185-E190 HydrophobicContact CG2-CG 3.78Å; E190-T230 HydrophobicContact CB-CG2 4.27Å; E190-N232 VanDerWaalsContact O-CB 3.24Å; E190-N232 WeakPolarHBondContact O-CB 3.2Å; E190-N232 PolarHBondContact O-ND2 2.49Å
191I91.1Very high92.3Very high1 Ų132.4 Ų32.41%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-142.4137.4170.3-167156.7000112I145 I157 T183 L184 L220 M236I145-I191 HydrophobicContact CD1-CG2 3.84Å; I145-I191 HydrophobicContact CG1-CG2 3.91Å; I145-I191 HydrophobicContact CG2-CB 3.69Å; I145-I191 HydrophobicContact CG2-CG2 3.89Å; I157-I191 HydrophobicContact CD1-CG2 4.35Å; T183-I191 WeakPolarHBondContact CA-O 3.36Å; L184-I191 HydrophobicContact CB-CG2 4.03Å; L184-I191 PolarHBondContact N-O 3.33Å; L184-I191 PolarHBondContact O-N 3.16Å; I191-L220 HydrophobicContact CD1-CD1 3.61Å; I191-M236 HydrophobicContact CD1-CE 3.81Å; I191-M236 HydrophobicContact CD1-CG 3.85Å; I191-M236 HydrophobicContact CD1-SD 4.5Å; I191-M236 HydrophobicContact CG1-CG 4.25Å; I191-M236 HydrophobicContact CG2-CE 4.16Å
192R91.9Very high92.4Very high13 Ų1336.4 Ų36.45%0.04920%0.196CC..EExtended strand (participates in β ladder)trans-85.3134.1175.3-175.4178.3-69.6-111.3-3.7110N181 N228 T230 E235 M236N181-R192 HydrophobicContact CB-CG 4.29Å; N181-R192 PolarHBondContact OD1-NH1 3.21Å; R192-N228 WeakPolarHBondContact CB-ND2 3.25Å; R192-N228 VanDerWaalsContact NE-CG 3.34Å; R192-N228 PolarHBondContact NE-OD1 3.5Å; R192-T230 HydrophobicContact CB-CG2 4.4Å; R192-E235 HydrophobicContact CB-CB 4.49Å; R192-M236 PolarHBondContact O-N 3.1Å
193V94.9Very high92.6Very high0 Ų036.5 Ų36.50%020%0.196CC..EExtended strand (participates in β ladder)trans-116.1135.5174.6-171.40000109N181 F182 L184 M236 L238N181-V193 CarbonylContact C-O 3.57Å; N181-V193 WeakPolarHBondContact CA-O 3.41Å; N181-V193 VanDerWaalsContact CB-O 3.27Å; N181-V193 WeakPolarHBondContact CB-O 3.29Å; F182-V193 HydrophobicContact CD1-CB 4.14Å; F182-V193 HydrophobicContact CD1-CG1 4.47Å; F182-V193 HydrophobicContact CD2-CB 4.11Å; F182-V193 HydrophobicContact CD2-CG2 4.29Å; F182-V193 HydrophobicContact CE1-CB 3.76Å; F182-V193 HydrophobicContact CE1-CG1 3.65Å; F182-V193 HydrophobicContact CE2-CB 3.72Å; F182-V193 HydrophobicContact CE2-CG1 4.09Å; F182-V193 HydrophobicContact CE2-CG2 3.8Å; F182-V193 HydrophobicContact CG-CB 4.32Å; F182-V193 HydrophobicContact CZ-CB 3.55Å; F182-V193 HydrophobicContact CZ-CG1 3.44Å; F182-V193 VanDerWaalsContact CZ-CG1 3.44Å; F182-V193 HydrophobicContact CZ-CG2 4.04Å; F182-V193 PolarHBondContact N-O 2.96Å; F182-V193 PolarHBondContact O-N 2.88Å; L184-V193 HydrophobicContact CD1-CG2 3.59Å; L184-V193 HydrophobicContact CG-CG2 4.02Å; V193-M236 CarbonylContact C-O 3.54Å; V193-M236 WeakPolarHBondContact CA-O 3.31Å; V193-M236 HydrophobicContact CB-CB 4.32Å; V193-M236 HydrophobicContact CG1-CB 4.09Å; V193-M236 HydrophobicContact CG2-CB 4.06Å; V193-M236 HydrophobicContact CG2-SD 4.11Å; V193-L238 HydrophobicContact CG1-CD1 4.01Å; V193-L238 HydrophobicContact CG1-CD2 3.78Å; V193-L238 HydrophobicContact CG1-CG 3.6Å
194T94.4Very high92.8Very high13 Ų1338.9 Ų38.98%0.0821%0.205CC..EExtended strand (participates in β ladder)trans-122.5131.2177.5-53.10000110.6F180 F196 M236 T237 L238F180-T194 WeakPolarHBondContact O-CA 3.41Å; T194-F196 HydrophobicContact CG2-CD2 4.14Å; T194-F196 HydrophobicContact CG2-CE1 4.34Å; T194-F196 HydrophobicContact CG2-CE2 3.53Å; T194-F196 HydrophobicContact CG2-CZ 3.64Å; T194-M236 PolarHBondContact N-O 3.38Å; T194-T237 WeakPolarHBondContact O-CA 2.81Å; T194-L238 PolarHBondContact O-N 3.19Å
195G95Very high92.8Very high0 Ų045.1 Ų45.10%024%0.239CC..EExtended strand (participates in β ladder)trans-107140.2168.400000110.6L179 F180L179-G195 WeakPolarHBondContact CA-O 3.45Å; L179-G195 WeakPolarHBondContact CB-O 3.44Å; F180-G195 PolarHBondContact N-O 3.28Å; F180-G195 VanDerWaalsContact N-O 3.08Å; F180-G195 PolarHBondContact O-N 2.94Å
196F94.9Very high92.9Very high65 Ų6548 Ų4829%0.28525%0.252SS..EExtended strand (participates in β ladder)trans-116.7146.6176.8-67.6-88.5000109.8K178 L179 T194 A198 E199 T237K178-F196 CarbonylContact O-C 3.55Å; K178-F196 WeakPolarHBondContact O-CA 3.47Å; L179-F196 HydrophobicContact CB-CD1 3.77Å; L179-F196 HydrophobicContact CB-CE1 3.97Å; L179-F196 HydrophobicContact CB-CG 4.45Å; L179-F196 HydrophobicContact CD2-CD1 4.23Å; L179-F196 HydrophobicContact CD2-CE1 3.71Å; L179-F196 HydrophobicContact CG-CE1 4.49Å; T194-F196 HydrophobicContact CG2-CD2 4.14Å; T194-F196 HydrophobicContact CG2-CE1 4.34Å; T194-F196 HydrophobicContact CG2-CE2 3.53Å; T194-F196 HydrophobicContact CG2-CZ 3.64Å; F196-A198 PolarHBondContact O-N 3.4Å; F196-E199 WeakPolarHBondContact O-CB 3.06Å; F196-E199 PolarHBondContact O-N 3.37Å; F196-T237 HydrophobicContact CD2-CG2 3.73Å; F196-T237 HydrophobicContact CE2-CG2 3.67Å
197N94.9Very high93Very high70 Ų7047.8 Ų47.837%0.37425%0.251SS..THydrogen-bonded Turntrans44.3-108.8171-53.6-34.8000114.8G177 K178 E199 V200 D201G177-N197 VanDerWaalsContact CA-OD1 3.24Å; G177-N197 WeakPolarHBondContact CA-OD1 3.33Å; K178-N197 WeakPolarHBondContact CE-O 3.33Å; K178-N197 PolarHBondContact N-OD1 2.94Å; K178-N197 PolarHBondContact O-N 3.43Å; K178-N197 PolarHBondContact O-OD1 3.4Å; N197-E199 VanDerWaalsContact C-N 3.26Å; N197-E199 PolarHBondContact O-N 3.26Å; N197-V200 WeakPolarHBondContact O-CA 3.13Å; N197-V200 WeakPolarHBondContact O-CB 3.38Å; N197-V200 WeakPolarHBondContact O-CG2 3.37Å; N197-V200 PolarHBondContact O-N 3.02Å; N197-D201 PolarHBondContact O-N 2.82Å
198A95.4Very high93.1Very high62 Ų6246.2 Ų46.251%0.51224%0.244SC..Hα-helixtrans-62.3-31.9-176.300000112.7F196 V200 D201 K202F196-A198 PolarHBondContact O-N 3.4Å; A198-V200 VanDerWaalsContact C-N 3.26Å; A198-V200 PolarHBondContact O-N 3.42Å; A198-D201 PolarHBondContact O-N 2.86Å; A198-K202 WeakPolarHBondContact O-CB 3.26Å; A198-K202 PolarHBondContact O-N 3.46Å
199E95.5Very high93Very high34 Ų3446.2 Ų46.216%0.15924%0.242CC..Hα-helixtrans-70.5-23.9175.1-69.572.2-166.100111.9F196 N197 F203 L238 H239 S240F196-E199 WeakPolarHBondContact O-CB 3.06Å; F196-E199 PolarHBondContact O-N 3.37Å; N197-E199 VanDerWaalsContact C-N 3.26Å; N197-E199 PolarHBondContact O-N 3.26Å; E199-F203 HydrophobicContact CB-CD2 4.14Å; E199-F203 HydrophobicContact CB-CE2 4.43Å; E199-F203 HydrophobicContact CG-CE2 4.36Å; E199-F203 WeakPolarHBondContact O-CB 3.38Å; E199-F203 WeakPolarHBondContact O-CD2 3.42Å; E199-F203 PolarHBondContact O-N 3.41Å; E199-F203 VanDerWaalsContact O-N 3.09Å; E199-L238 HydrophobicContact CB-CB 4.22Å; E199-L238 HydrophobicContact CG-CB 4.08Å; E199-H239 VanDerWaalsContact OE1-CA 3.3Å; E199-H239 WeakPolarHBondContact OE1-CA 3.45Å; E199-S240 PolarHBondContact OE1-N 2.94Å
200V95.1Very high93Very high1 Ų147.1 Ų47.11%0.00624%0.241CC..Hα-helixtrans-66-50.8168.4-171.20000109.5I167 K178 F180 N197 A198 K202 F203 Y204I167-V200 HydrophobicContact CD1-CG1 3.72Å; I167-V200 HydrophobicContact CG1-CG1 3.89Å; I167-V200 HydrophobicContact CG2-CG1 4.28Å; K178-V200 HydrophobicContact CD-CB 4.18Å; K178-V200 HydrophobicContact CD-CG1 4.21Å; K178-V200 HydrophobicContact CD-CG2 4.45Å; K178-V200 HydrophobicContact CG-CB 4.21Å; K178-V200 HydrophobicContact CG-CG2 3.95Å; F180-V200 HydrophobicContact CD1-CB 4.12Å; F180-V200 HydrophobicContact CD1-CG1 3.91Å; F180-V200 HydrophobicContact CD1-CG2 3.93Å; N197-V200 WeakPolarHBondContact O-CA 3.13Å; N197-V200 WeakPolarHBondContact O-CB 3.38Å; N197-V200 WeakPolarHBondContact O-CG2 3.37Å; N197-V200 PolarHBondContact O-N 3.02Å; A198-V200 VanDerWaalsContact C-N 3.26Å; A198-V200 PolarHBondContact O-N 3.42Å; V200-K202 VanDerWaalsContact C-N 3.25Å; V200-K202 PolarHBondContact O-N 3.46Å; V200-F203 PolarHBondContact O-N 3.09Å; V200-Y204 HydrophobicContact CG1-CD2 4.48Å; V200-Y204 HydrophobicContact CG1-CG 4.46Å; V200-Y204 WeakPolarHBondContact O-CB 3.36Å; V200-Y204 PolarHBondContact O-N 3.31Å
201D94Very high93Very high106 Ų10647.6 Ų47.657%0.56724%0.242SC*.Hα-helixtrans-60.4-36.3179.8-66-51.2000112.5K178 N197 A198K178-D201 WeakPolarHBondContact CE-OD2 3.48Å; K178-D201 IonicContact NZ-OD1 2.54Å; K178-D201 PolarHBondContact NZ-OD1 3.27Å; K178-D201 IonicContact NZ-OD2 2.89Å; K178-D201 PolarHBondContact NZ-OD2 2.8Å; N197-D201 PolarHBondContact O-N 2.82Å; A198-D201 PolarHBondContact O-N 2.86Å
202K94.9Very high93.1Very high107 Ų10748.1 Ų48.147%0.46525%0.245SC..Hα-helixtrans-76-40.7-178-173.9176.8176.3-172.90113.6A198 V200 S240A198-K202 WeakPolarHBondContact O-CB 3.26Å; A198-K202 PolarHBondContact O-N 3.46Å; V200-K202 VanDerWaalsContact C-N 3.25Å; V200-K202 PolarHBondContact O-N 3.46Å; K202-S240 PolarHBondContact NZ-O 3.24Å
203F95.6Very high93.3Very high3 Ų347.6 Ų47.61%0.01324%0.244CC..Hα-helixtrans-113.4-20.3-167-62.5-65.2000114.3F180 E199 V200 D205 M206 I207 L238 V244F180-F203 HydrophobicContact CE1-CB 4.45Å; F180-F203 HydrophobicContact CZ-CB 4.04Å; E199-F203 HydrophobicContact CB-CD2 4.14Å; E199-F203 HydrophobicContact CB-CE2 4.43Å; E199-F203 HydrophobicContact CG-CE2 4.36Å; E199-F203 WeakPolarHBondContact O-CB 3.38Å; E199-F203 WeakPolarHBondContact O-CD2 3.42Å; E199-F203 PolarHBondContact O-N 3.41Å; E199-F203 VanDerWaalsContact O-N 3.09Å; V200-F203 PolarHBondContact O-N 3.09Å; F203-D205 PolarHBondContact O-N 3.19Å; F203-M206 HydrophobicContact CD1-CE 4.33Å; F203-M206 HydrophobicContact CD1-SD 4.32Å; F203-M206 PolarHBondContact O-N 2.86Å; F203-I207 HydrophobicContact CB-CG1 4.31Å; F203-I207 WeakPolarHBondContact O-CG1 3.49Å; F203-I207 PolarHBondContact O-N 3.11Å; F203-L238 HydrophobicContact CB-CD1 4.45Å; F203-L238 HydrophobicContact CD2-CD1 3.65Å; F203-L238 HydrophobicContact CE2-CB 4.43Å; F203-L238 HydrophobicContact CE2-CD1 4.09Å; F203-L238 HydrophobicContact CG-CD1 4.16Å; F203-V244 HydrophobicContact CD1-CB 3.94Å; F203-V244 HydrophobicContact CD1-CG2 4.01Å; F203-V244 HydrophobicContact CE1-CB 3.74Å; F203-V244 HydrophobicContact CE1-CG2 3.75Å; F203-V244 HydrophobicContact CZ-CG2 4.13Å
204Y93.5Very high93.3Very high50 Ų5048.8 Ų48.820%0.19625%0.248CC..THydrogen-bonded Turntrans-58-51-171.8-174-99.5000112.1K164 S165 I167 F180 V200 M206 I207K164-Y204 VanDerWaalsContact CE-CE2 3.49Å; K164-Y204 WeakPolarHBondContact CE-O 3.26Å; K164-Y204 PolarHBondContact NZ-O 3.12Å; S165-Y204 WeakPolarHBondContact O-CE2 3.37Å; I167-Y204 HydrophobicContact CD1-CD1 3.9Å; I167-Y204 HydrophobicContact CD1-CD2 4.16Å; I167-Y204 HydrophobicContact CD1-CE1 3.97Å; I167-Y204 HydrophobicContact CD1-CE2 4.23Å; I167-Y204 HydrophobicContact CD1-CG 3.99Å; I167-Y204 HydrophobicContact CG1-CD1 4.25Å; I167-Y204 HydrophobicContact CG1-CD2 3.72Å; I167-Y204 HydrophobicContact CG1-CE1 4.04Å; I167-Y204 HydrophobicContact CG1-CE2 3.5Å; I167-Y204 VanDerWaalsContact CG1-CE2 3.5Å; I167-Y204 HydrophobicContact CG1-CG 4.08Å; F180-Y204 HydrophobicContact CB-CD2 3.82Å; F180-Y204 HydrophobicContact CB-CE2 4Å; F180-Y204 HydrophobicContact CD1-CD2 4.09Å; F180-Y204 AromaticContact CD2-CD2 3.51Å; F180-Y204 HydrophobicContact CD2-CD2 3.51Å; F180-Y204 HydrophobicContact CD2-CE2 4.04Å; F180-Y204 HydrophobicContact CE2-CD2 4Å; F180-Y204 AromaticContact CG-CD2 3.54Å; F180-Y204 HydrophobicContact CG-CD2 3.54Å; F180-Y204 HydrophobicContact CG-CE2 4.15Å; F180-Y204 HydrophobicContact CZ-CD2 4.5Å; V200-Y204 HydrophobicContact CG1-CD2 4.48Å; V200-Y204 HydrophobicContact CG1-CG 4.46Å; V200-Y204 WeakPolarHBondContact O-CB 3.36Å; V200-Y204 PolarHBondContact O-N 3.31Å; Y204-M206 VanDerWaalsContact C-N 3.33Å; Y204-M206 PolarHBondContact O-N 2.75Å; Y204-I207 PolarHBondContact O-N 2.86Å
205D93.1Very high93.3Very high132 Ų13248.1 Ų48.171%0.70624%0.244SC*.THydrogen-bonded Turntrans-73-26.3-177.9-63-31.3000113.1F203F203-D205 PolarHBondContact O-N 3.19Å
206M93.4Very high93.2Very high76 Ų7648.7 Ų48.737%0.37425%0.248SC..THydrogen-bonded Turntrans-72.8-31.6178.4-173.8-167.6-57.400112.7F203 Y204 Y213F203-M206 HydrophobicContact CD1-CE 4.33Å; F203-M206 HydrophobicContact CD1-SD 4.32Å; F203-M206 PolarHBondContact O-N 2.86Å; Y204-M206 VanDerWaalsContact C-N 3.33Å; Y204-M206 PolarHBondContact O-N 2.75Å; M206-Y213 PolarHBondContact O-OH 2.79Å
207I94.1Very high93.1Very high0 Ų052 Ų520%026%0.259CS..  trans-87.4117.6-174.5-62.4-65.8000110.2V161 K164 F182 F203 Y204 Y213 V244V161-I207 HydrophobicContact CG1-CG2 4.15Å; V161-I207 HydrophobicContact CG2-CG2 3.93Å; K164-I207 WeakPolarHBondContact CD-O 3.25Å; K164-I207 WeakPolarHBondContact CE-O 3.45Å; K164-I207 PolarHBondContact NZ-O 2.81Å; F182-I207 HydrophobicContact CB-CG2 4.37Å; F182-I207 HydrophobicContact CD1-CG2 4.39Å; F182-I207 HydrophobicContact CD2-CG2 4.17Å; F182-I207 HydrophobicContact CE1-CG1 4.49Å; F182-I207 HydrophobicContact CE2-CD1 4.46Å; F182-I207 HydrophobicContact CG-CG2 4.08Å; F182-I207 HydrophobicContact CZ-CD1 4.34Å; F182-I207 HydrophobicContact CZ-CG1 4.46Å; F203-I207 HydrophobicContact CB-CG1 4.31Å; F203-I207 WeakPolarHBondContact O-CG1 3.49Å; F203-I207 PolarHBondContact O-N 3.11Å; Y204-I207 PolarHBondContact O-N 2.86Å; I207-Y213 WeakPolarHBondContact CA-OH 3.49Å; I207-Y213 HydrophobicContact CD1-CD1 3.99Å; I207-Y213 HydrophobicContact CD1-CD2 4.32Å; I207-Y213 HydrophobicContact CD1-CE1 3.91Å; I207-Y213 HydrophobicContact CD1-CE2 4.25Å; I207-Y213 HydrophobicContact CD1-CG 4.21Å; I207-V244 HydrophobicContact CD1-CG1 3.6Å
208E90Very high93Very high89 Ų8949.1 Ų49.142%0.41624%0.244SC..  trans-120.8144177.3-64.8175-133.700110.8V161 K211 Y213V161-E208 WeakPolarHBondContact CB-O 3.47Å; E208-K211 HydrophobicContact CB-CB 4.48Å; E208-K211 HydrophobicContact CB-CD 3.93Å; E208-K211 HydrophobicContact CB-CG 4.09Å; E208-K211 HydrophobicContact CG-CD 4.44Å; E208-K211 PolarHBondContact O-N 3.02Å; E208-K211 IonicContact OE1-NZ 3.86Å; E208-K211 PolarHBondContact OE1-NZ 3.34Å; E208-K211 WeakPolarHBondContact OE2-CE 3.35Å; E208-K211 IonicContact OE2-NZ 3.7Å; E208-K211 PolarHBondContact OE2-NZ 3.45Å; E208-Y213 PolarHBondContact N-OH 2.89Å
209V86.9Confident92.8Very high39 Ų3950.5 Ų50.524%0.23624%0.243CC..THydrogen-bonded Turntrans-64.6144.1176.6-178.80000109.7V161 K164 K211V161-V209 HydrophobicContact CG1-CG2 4.44Å; K164-V209 HydrophobicContact CB-CG2 3.79Å; V209-K211 PolarHBondContact O-N 3.26Å
210N85Confident92.6Very high41 Ų4149.5 Ų49.522%0.21924%0.239CC..THydrogen-bonded Turntrans66.7-2.1-175.7-60.8-41000116.6R160 V161 T258R160-N210 PolarHBondContact NH1-O 2.82Å; V161-N210 WeakPolarHBondContact O-CA 3.41Å; V161-N210 PolarHBondContact O-N 2.82Å; N210-T258 PolarHBondContact OD1-OG1 2.89Å
211K90.4Very high92.4Very high98 Ų9853 Ų5343%0.42625%0.254SS..  trans-82.3153.9168-68.5-164.7179.7168.20111.2R160 V161 E208 V209 Y213R160-K211 WeakPolarHBondContact CA-O 3.38Å; V161-K211 PolarHBondContact N-O 2.93Å; E208-K211 HydrophobicContact CB-CB 4.48Å; E208-K211 HydrophobicContact CB-CD 3.93Å; E208-K211 HydrophobicContact CB-CG 4.09Å; E208-K211 HydrophobicContact CG-CD 4.44Å; E208-K211 PolarHBondContact O-N 3.02Å; E208-K211 IonicContact OE1-NZ 3.86Å; E208-K211 PolarHBondContact OE1-NZ 3.34Å; E208-K211 WeakPolarHBondContact OE2-CE 3.35Å; E208-K211 IonicContact OE2-NZ 3.7Å; E208-K211 PolarHBondContact OE2-NZ 3.45Å; V209-K211 PolarHBondContact O-N 3.26Å; K211-Y213 HydrophobicContact CB-CD2 4.44Å; K211-Y213 HydrophobicContact CB-CE2 3.54Å
212V93Very high92.1Very high11 Ų1151.5 Ų51.57%0.06726%0.256CS..EExtended strand (participates in β ladder)trans-103.7135.2-179-179.50000109.2R158 A159 R160 C247 T252 L255R158-V212 HydrophobicContact CG-CG1 3.98Å; A159-V212 WeakPolarHBondContact O-CA 3.47Å; R160-V212 HydrophobicContact CB-CG2 4.09Å; R160-V212 HydrophobicContact CG-CG2 4.21Å; V212-C247 HydrophobicContact CB-CB 3.95Å; V212-C247 HydrophobicContact CG1-CB 3.67Å; V212-C247 WeakPolarHBondContact O-CB 3.43Å; V212-C247 PolarHBondContact O-N 2.88Å; V212-T252 HydrophobicContact CB-CG2 4.11Å; V212-T252 HydrophobicContact CG1-CG2 4.35Å; V212-T252 HydrophobicContact CG2-CG2 3.78Å; V212-L255 HydrophobicContact CB-CD1 4.29Å; V212-L255 HydrophobicContact CG1-CD1 3.39Å; V212-L255 HydrophobicContact CG2-CD1 3.83Å
213Y94.9Very high91.5Very high3 Ų347.1 Ų47.11%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-131.4148.5-179.5-61-96.5000111A159 V161 M206 I207 E208 K211 V244 L245 P246A159-Y213 PolarHBondContact N-O 2.81Å; A159-Y213 VanDerWaalsContact N-O 3.08Å; A159-Y213 PolarHBondContact O-N 3.39Å; V161-Y213 HydrophobicContact CG2-CD2 3.57Å; V161-Y213 HydrophobicContact CG2-CE2 3.64Å; M206-Y213 PolarHBondContact O-OH 2.79Å; I207-Y213 WeakPolarHBondContact CA-OH 3.49Å; I207-Y213 HydrophobicContact CD1-CD1 3.99Å; I207-Y213 HydrophobicContact CD1-CD2 4.32Å; I207-Y213 HydrophobicContact CD1-CE1 3.91Å; I207-Y213 HydrophobicContact CD1-CE2 4.25Å; I207-Y213 HydrophobicContact CD1-CG 4.21Å; E208-Y213 PolarHBondContact N-OH 2.89Å; K211-Y213 HydrophobicContact CB-CD2 4.44Å; K211-Y213 HydrophobicContact CB-CE2 3.54Å; Y213-V244 HydrophobicContact CD1-CG1 3.86Å; Y213-V244 HydrophobicContact CG-CG1 4.11Å; Y213-L245 CarbonylContact C-O 3.55Å; Y213-L245 VanDerWaalsContact CA-O 3.28Å; Y213-L245 WeakPolarHBondContact CA-O 3.31Å; Y213-P246 HydrophobicContact CD1-CB 4.43Å; Y213-P246 HydrophobicContact CD1-CG 4.3Å; Y213-P246 HydrophobicContact CE1-CB 4.36Å; Y213-P246 HydrophobicContact CE1-CG 4.06Å
214Y94.8Very high90.7Very high24 Ų2450.2 Ų50.29%0.09426%0.257CS..EExtended strand (participates in β ladder)trans-85.5125.4159.5-67-79.9000109.3P140 V142 T156 I157 R158 V244 L245 C247 D249P140-Y214 HydrophobicContact CG-CD1 4.26Å; V142-Y214 HydrophobicContact CG2-CD1 4.48Å; V142-Y214 HydrophobicContact CG2-CE1 3.94Å; T156-Y214 HydrophobicContact CG2-CD1 3.95Å; I157-Y214 CarbonylContact O-C 3.57Å; I157-Y214 VanDerWaalsContact O-CA 3.26Å; I157-Y214 WeakPolarHBondContact O-CA 3.4Å; R158-Y214 HydrophobicContact CB-CD1 3.95Å; R158-Y214 HydrophobicContact CB-CE1 3.7Å; R158-Y214 HydrophobicContact CG-CD1 4.15Å; R158-Y214 HydrophobicContact CG-CE1 3.65Å; R158-Y214 PolarHBondContact NE-OH 2.9Å; Y214-V244 CarbonylContact O-C 3.49Å; Y214-V244 VanDerWaalsContact O-CA 3.29Å; Y214-V244 WeakPolarHBondContact O-CA 3.44Å; Y214-L245 PolarHBondContact N-O 2.94Å; Y214-L245 PolarHBondContact O-N 2.79Å; Y214-C247 HydrophobicContact CD2-CB 4.02Å; Y214-C247 HydrophobicContact CE2-CB 3.64Å; Y214-C247 VanDerWaalsContact CE2-SG 3.55Å; Y214-D249 PolarHBondContact OH-OD2 2.85Å
215V95Very high89.8Confident0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-118.3129.1174.2-178.60000109.2W155 T156 I157 L184 M236 Q243 V244W155-V215 HydrophobicContact CH2-CG1 4.48Å; W155-V215 HydrophobicContact CZ3-CG1 4.36Å; W155-V215 VanDerWaalsContact CZ3-O 3.3Å; W155-V215 WeakPolarHBondContact CZ3-O 3.46Å; T156-V215 CarbonylContact C-O 3.59Å; T156-V215 WeakPolarHBondContact CA-O 3.14Å; I157-V215 HydrophobicContact CD1-CB 4.33Å; I157-V215 HydrophobicContact CG1-CB 3.86Å; I157-V215 PolarHBondContact N-O 2.69Å; I157-V215 PolarHBondContact O-N 2.67Å; L184-V215 HydrophobicContact CD1-CB 4.4Å; L184-V215 HydrophobicContact CD1-CG2 3.78Å; V215-M236 HydrophobicContact CG1-SD 4.46Å; V215-Q243 WeakPolarHBondContact CA-O 3.19Å; V215-V244 HydrophobicContact CG1-CG2 4.36Å; V215-V244 HydrophobicContact CG2-CG1 3.96Å; V215-V244 HydrophobicContact CG2-CG2 4.18Å
216S93.8Very high88.5Confident11 Ų1151.8 Ų51.88%0.07726%0.26CS..EExtended strand (participates in β ladder)trans-141.8160175.572.30000111.4W155 T156 A218 Q243W155-S216 VanDerWaalsContact O-CB 3.31Å; W155-S216 WeakPolarHBondContact O-CB 3.44Å; T156-S216 WeakPolarHBondContact OG1-CB 3.3Å; S216-A218 VanDerWaalsContact C-N 3.28Å; S216-A218 PolarHBondContact O-N 2.81Å; S216-Q243 PolarHBondContact N-O 2.81Å; S216-Q243 PolarHBondContact O-N 3.05Å
217R91.5Very high87.3Confident136 Ų13655.1 Ų55.151%0.51327%0.273SS..SBendtrans5640.2175.6-49.2176.5-173.2-1721.5112.8H239 D241 S242R217-H239 PolarHBondContact O-CE1 2.78Å; R217-H239 PolarHBondContact O-NE2 2.77Å; R217-D241 WeakPolarHBondContact CD-O 3.43Å; R217-S242 VanDerWaalsContact O-CA 3.28Å; R217-S242 WeakPolarHBondContact O-CA 3.44Å; R217-S242 WeakPolarHBondContact O-CB 3.3Å; R217-S242 PolarHBondContact O-OG 2.87Å
218A93.1Very high86.1Confident9 Ų955.3 Ų55.37%0.07427%0.274CS..PPolyproline II helixtrans-94.1156.5167.100000109.9W155 S216 M236 L238W155-A218 HydrophobicContact CH2-CB 3.78Å; W155-A218 HydrophobicContact CZ2-CB 4.12Å; W155-A218 WeakPolarHBondContact CZ2-O 3.34Å; S216-A218 VanDerWaalsContact C-N 3.28Å; S216-A218 PolarHBondContact O-N 2.81Å; A218-M236 HydrophobicContact CB-CB 4.22Å; A218-M236 HydrophobicContact CB-SD 4.27Å; A218-L238 HydrophobicContact CB-CD2 4.13Å
219N92.2Very high85Confident91 Ų9155.5 Ų55.549%0.48728%0.281SS..EExtended strand (participates in β ladder)trans-81121.6174.6-173.4-47.5000109.4M236 T237N219-M236 CarbonylContact O-C 3.5Å; N219-M236 WeakPolarHBondContact O-CA 3.3Å; N219-T237 PolarHBondContact N-O 2.95Å; N219-T237 PolarHBondContact O-N 2.93Å
220L91.3Very high84.4Confident13 Ų1353.9 Ų53.97%0.06827%0.272CS..EExtended strand (participates in β ladder)trans-96.3123.2175.9-163.178.1000110.2L148 N149 P150 I191 Y234 M236L148-L220 HydrophobicContact CB-CD2 3.85Å; N149-L220 VanDerWaalsContact CA-CD2 3.43Å; P150-L220 HydrophobicContact CG-CD2 4.39Å; I191-L220 HydrophobicContact CD1-CD1 3.61Å; L220-Y234 HydrophobicContact CD2-CD2 4.06Å; L220-Y234 HydrophobicContact CD2-CG 3.92Å; L220-Y234 HydrophobicContact CG-CG 4.18Å; L220-M236 HydrophobicContact CD1-CE 4.21Å; L220-M236 HydrophobicContact CD1-CG 3.61Å
221K89.5Confident83.9Confident73 Ų7359.5 Ų59.532%0.31730%0.301SS..EExtended strand (participates in β ladder)trans-129.9167.4179.369.1-173.3-171.6-166.90110.8A223 Y234 E235 T237K221-A223 PolarHBondContact O-N 3.19Å; K221-Y234 CarbonylContact O-C 3.54Å; K221-Y234 WeakPolarHBondContact O-CA 3.28Å; K221-Y234 WeakPolarHBondContact O-CB 3.17Å; K221-E235 HydrophobicContact CD-CG 4.39Å; K221-E235 WeakPolarHBondContact CE-OE1 3.49Å; K221-E235 HydrophobicContact CG-CG 3.8Å; K221-E235 PolarHBondContact N-O 3.21Å; K221-E235 IonicContact NZ-OE1 3.31Å; K221-E235 PolarHBondContact NZ-OE1 2.81Å; K221-E235 PolarHBondContact O-N 2.97Å; K221-T237 WeakPolarHBondContact CE-OG1 3.37Å; K221-T237 PolarHBondContact NZ-OG1 3.4Å; K221-T237 VanDerWaalsContact NZ-OG1 3.11Å
222A87.6Confident83.4Confident75 Ų7555.1 Ų55.162%0.6228%0.283SS*.EExtended strand (participates in β ladder)trans-62134.6173.600000110.6D233A222-D233 WeakPolarHBondContact CA-O 3.34Å
223A82.9Confident83Confident16 Ų1659.9 Ų59.913%0.13231%0.308CS..  trans-67.3133-178.500000111.3K221 K225 N232 D233 E235K221-A223 PolarHBondContact O-N 3.19Å; A223-K225 HydrophobicContact CB-CD 4.47Å; A223-K225 PolarHBondContact O-N 3.23Å; A223-N232 WeakPolarHBondContact CB-O 2.76Å; A223-D233 PolarHBondContact N-O 2.99Å; A223-E235 WeakPolarHBondContact CA-OE2 3.38Å; A223-E235 HydrophobicContact CB-CB 4.28Å; A223-E235 HydrophobicContact CB-CG 4.47Å
224N79.2Confident82.8Confident67 Ų6762.4 Ų62.436%0.35832%0.318SS..  trans-83.995.7170.9-172-17.3000109.6Q226 F227 N228 E235N224-Q226 PolarHBondContact O-N 3.21Å; N224-Q226 VanDerWaalsContact OD1-CB 3.29Å; N224-Q226 WeakPolarHBondContact OD1-CB 3.49Å; N224-Q226 WeakPolarHBondContact OD1-CG 3.49Å; N224-Q226 PolarHBondContact OD1-N 3.28Å; N224-Q226 VanDerWaalsContact OD1-N 3.09Å; N224-F227 HydrophobicContact CB-CD2 4.47Å; N224-F227 WeakPolarHBondContact ND2-CD2 3.44Å; N224-F227 PolarHBondContact O-N 3.33Å; N224-N228 WeakPolarHBondContact O-CB 3.43Å; N224-N228 PolarHBondContact O-N 3.09Å; N224-E235 PolarHBondContact N-OE2 2.81Å; N224-E235 VanDerWaalsContact N-OE2 3.1Å
225K75.1Confident82.6Confident106 Ų10662 Ų6246%0.46132%0.317SS..THydrogen-bonded Turntrans-61.9-11.4-177.9-61.8-60.1-164.3-178.60114.6A223 F227 T230 N232A223-K225 HydrophobicContact CB-CD 4.47Å; A223-K225 PolarHBondContact O-N 3.23Å; K225-F227 VanDerWaalsContact C-N 3.32Å; K225-T230 PolarHBondContact NZ-O 3.45Å; K225-N232 PolarHBondContact NZ-O 2.72Å
226Q65.6Low82.6Confident110 Ų11062 Ų6251%0.51432%0.317SS..THydrogen-bonded Turntrans-70.8-28.4171.4-60.6177.3-5.600112.5N224N224-Q226 PolarHBondContact O-N 3.21Å; N224-Q226 VanDerWaalsContact OD1-CB 3.29Å; N224-Q226 WeakPolarHBondContact OD1-CB 3.49Å; N224-Q226 WeakPolarHBondContact OD1-CG 3.49Å; N224-Q226 PolarHBondContact OD1-N 3.28Å; N224-Q226 VanDerWaalsContact OD1-N 3.09Å
227F67Low82.6Confident146 Ų14662.6 Ų62.664%0.6432%0.32SS*.THydrogen-bonded Turntrans-121.2-14.4-176.6-56.2-73.2000113.4N224 K225N224-F227 HydrophobicContact CB-CD2 4.47Å; N224-F227 WeakPolarHBondContact ND2-CD2 3.44Å; N224-F227 PolarHBondContact O-N 3.33Å; K225-F227 VanDerWaalsContact C-N 3.32Å
228N69.3Low82.8Confident4 Ų456.4 Ų56.42%0.02130%0.297CS..  trans-112.7113.2-177.8-171.11.4000111.2R192 N224 T230 E235R192-N228 WeakPolarHBondContact CB-ND2 3.25Å; R192-N228 VanDerWaalsContact NE-CG 3.34Å; R192-N228 PolarHBondContact NE-OD1 3.5Å; N224-N228 WeakPolarHBondContact O-CB 3.43Å; N224-N228 PolarHBondContact O-N 3.09Å; N228-T230 PolarHBondContact ND2-OG1 3.42Å; N228-T230 WeakPolarHBondContact OD1-CG2 3.29Å; N228-T230 PolarHBondContact OD1-N 2.95Å; N228-T230 PolarHBondContact OD1-OG1 2.8Å; N228-E235 PolarHBondContact ND2-OE2 3.34Å
229T67.7Low82.8Confident92 Ų9259 Ų5956%0.56431%0.307SS*.  trans-87.2-2.8179.450.10000114.3T356T229-T356 HydrophobicContact CG2-CG2 3.63Å
230T74.1Confident82.9Confident6 Ų658.4 Ų58.44%0.03731%0.311CS..SBendtrans-69.8148.5177.168.40000110.5T183 E190 R192 K225 N228 N232T183-T230 HydrophobicContact CG2-CG2 3.9Å; E190-T230 HydrophobicContact CB-CG2 4.27Å; R192-T230 HydrophobicContact CB-CG2 4.4Å; K225-T230 PolarHBondContact NZ-O 3.45Å; N228-T230 PolarHBondContact ND2-OG1 3.42Å; N228-T230 WeakPolarHBondContact OD1-CG2 3.29Å; N228-T230 PolarHBondContact OD1-N 2.95Å; N228-T230 PolarHBondContact OD1-OG1 2.8Å; T230-N232 PolarHBondContact O-N 2.92Å
231N74.6Confident82.9Confident158 Ų15862.6 Ų62.685%0.84533%0.333SS*.SBendtrans-76.920.3177-162.423.2000113.3
232N79.9Confident83.2Confident7 Ų759.1 Ų59.14%0.03732%0.318CS..  trans-99.7135-177.7-162.3-36.8000111I145 E190 A223 K225 T230 Y234I145-N232 WeakPolarHBondContact CG2-ND2 3.43Å; E190-N232 VanDerWaalsContact O-CB 3.24Å; E190-N232 WeakPolarHBondContact O-CB 3.2Å; E190-N232 PolarHBondContact O-ND2 2.49Å; A223-N232 WeakPolarHBondContact CB-O 2.76Å; K225-N232 PolarHBondContact NZ-O 2.72Å; T230-N232 PolarHBondContact O-N 2.92Å; N232-Y234 PolarHBondContact O-N 2.92Å; N232-Y234 PolarHBondContact OD1-N 2.9Å; N232-Y234 PolarHBondContact OD1-O 3.29Å
233D84.7Confident83.4Confident111 Ų11159.3 Ų59.359%0.59431%0.306SS*.SBendtrans-68.9-16.4177.1-68.8-24.6000112.6A222 A223A222-D233 WeakPolarHBondContact CA-O 3.34Å; A223-D233 PolarHBondContact N-O 2.99Å
234Y90Very high84Confident55 Ų5558.9 Ų58.922%0.21630%0.301CS..EExtended strand (participates in β ladder)trans-120.1155.5-178.9-56-59.9000112.9N149 P150 L220 K221 N232N149-Y234 HydrophobicContact CB-CE2 4.3Å; P150-Y234 HydrophobicContact CG-CD1 3.92Å; P150-Y234 HydrophobicContact CG-CE1 3.64Å; L220-Y234 HydrophobicContact CD2-CD2 4.06Å; L220-Y234 HydrophobicContact CD2-CG 3.92Å; L220-Y234 HydrophobicContact CG-CG 4.18Å; K221-Y234 CarbonylContact O-C 3.54Å; K221-Y234 WeakPolarHBondContact O-CA 3.28Å; K221-Y234 WeakPolarHBondContact O-CB 3.17Å; N232-Y234 PolarHBondContact O-N 2.92Å; N232-Y234 PolarHBondContact OD1-N 2.9Å; N232-Y234 PolarHBondContact OD1-O 3.29Å
235E91Very high84.7Confident17 Ų1760.4 Ų60.48%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-135.6153.2170.169.4-173.5-150.700109.8R192 K221 A223 N224 N228R192-E235 HydrophobicContact CB-CB 4.49Å; K221-E235 HydrophobicContact CD-CG 4.39Å; K221-E235 WeakPolarHBondContact CE-OE1 3.49Å; K221-E235 HydrophobicContact CG-CG 3.8Å; K221-E235 PolarHBondContact N-O 3.21Å; K221-E235 IonicContact NZ-OE1 3.31Å; K221-E235 PolarHBondContact NZ-OE1 2.81Å; K221-E235 PolarHBondContact O-N 2.97Å; A223-E235 WeakPolarHBondContact CA-OE2 3.38Å; A223-E235 HydrophobicContact CB-CB 4.28Å; A223-E235 HydrophobicContact CB-CG 4.47Å; N224-E235 PolarHBondContact N-OE2 2.81Å; N224-E235 VanDerWaalsContact N-OE2 3.1Å; N228-E235 PolarHBondContact ND2-OE2 3.34Å
236M93.9Very high85.5Confident0 Ų058.8 Ų58.80%031%0.31CS..EExtended strand (participates in β ladder)trans-100144.2-179.5-63.7-176.8-177.900111.4L148 W155 I157 I191 R192 V193 T194 V215 A218 N219 L220L148-M236 HydrophobicContact CD1-CE 3.08Å; W155-M236 HydrophobicContact CH2-CE 3.44Å; W155-M236 VanDerWaalsContact CH2-CE 3.44Å; W155-M236 HydrophobicContact CH2-SD 3.58Å; W155-M236 VanDerWaalsContact CH2-SD 3.58Å; W155-M236 HydrophobicContact CZ2-CE 4.08Å; W155-M236 HydrophobicContact CZ2-SD 4.39Å; W155-M236 HydrophobicContact CZ3-CE 3.74Å; W155-M236 HydrophobicContact CZ3-SD 4.2Å; I157-M236 HydrophobicContact CD1-CE 3.62Å; I157-M236 HydrophobicContact CD1-SD 4.26Å; I191-M236 HydrophobicContact CD1-CE 3.81Å; I191-M236 HydrophobicContact CD1-CG 3.85Å; I191-M236 HydrophobicContact CD1-SD 4.5Å; I191-M236 HydrophobicContact CG1-CG 4.25Å; I191-M236 HydrophobicContact CG2-CE 4.16Å; R192-M236 PolarHBondContact O-N 3.1Å; V193-M236 CarbonylContact C-O 3.54Å; V193-M236 WeakPolarHBondContact CA-O 3.31Å; V193-M236 HydrophobicContact CB-CB 4.32Å; V193-M236 HydrophobicContact CG1-CB 4.09Å; V193-M236 HydrophobicContact CG2-CB 4.06Å; V193-M236 HydrophobicContact CG2-SD 4.11Å; T194-M236 PolarHBondContact N-O 3.38Å; V215-M236 HydrophobicContact CG1-SD 4.46Å; A218-M236 HydrophobicContact CB-CB 4.22Å; A218-M236 HydrophobicContact CB-SD 4.27Å; N219-M236 CarbonylContact O-C 3.5Å; N219-M236 WeakPolarHBondContact O-CA 3.3Å; L220-M236 HydrophobicContact CD1-CE 4.21Å; L220-M236 HydrophobicContact CD1-CG 3.61Å
237T95Very high86.6Confident23 Ų2354.5 Ų54.514%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-121124.8167.3-57.20000109T194 F196 N219 K221T194-T237 WeakPolarHBondContact O-CA 2.81Å; F196-T237 HydrophobicContact CD2-CG2 3.73Å; F196-T237 HydrophobicContact CE2-CG2 3.67Å; N219-T237 PolarHBondContact N-O 2.95Å; N219-T237 PolarHBondContact O-N 2.93Å; K221-T237 WeakPolarHBondContact CE-OG1 3.37Å; K221-T237 PolarHBondContact NZ-OG1 3.4Å; K221-T237 VanDerWaalsContact NZ-OG1 3.11Å
238L95.6Very high87.4Confident5 Ų556.5 Ų56.53%0.02630%0.303CS..  trans-73.3145.4174.4-60.4175.5000109.9F182 V193 T194 E199 F203 A218 V244F182-L238 HydrophobicContact CE1-CD1 3.92Å; F182-L238 HydrophobicContact CZ-CD1 4.12Å; V193-L238 HydrophobicContact CG1-CD1 4.01Å; V193-L238 HydrophobicContact CG1-CD2 3.78Å; V193-L238 HydrophobicContact CG1-CG 3.6Å; T194-L238 PolarHBondContact O-N 3.19Å; E199-L238 HydrophobicContact CB-CB 4.22Å; E199-L238 HydrophobicContact CG-CB 4.08Å; F203-L238 HydrophobicContact CB-CD1 4.45Å; F203-L238 HydrophobicContact CD2-CD1 3.65Å; F203-L238 HydrophobicContact CE2-CB 4.43Å; F203-L238 HydrophobicContact CE2-CD1 4.09Å; F203-L238 HydrophobicContact CG-CD1 4.16Å; A218-L238 HydrophobicContact CB-CD2 4.13Å; L238-V244 HydrophobicContact CD2-CG2 4.11Å
239H93.4Very high87.6Confident64 Ų6459 Ų5930%0.29632%0.316SS..  trans-139.2-176.2173.561.690.1000110.4E199 R217 D241 S242E199-H239 VanDerWaalsContact OE1-CA 3.3Å; E199-H239 WeakPolarHBondContact OE1-CA 3.45Å; R217-H239 PolarHBondContact O-CE1 2.78Å; R217-H239 PolarHBondContact O-NE2 2.77Å; H239-D241 PolarHBondContact ND1-N 3.28Å; H239-D241 PolarHBondContact O-N 3.36Å; H239-D241 VanDerWaalsContact O-N 3.12Å; H239-S242 PolarHBondContact CD2-OG 3.42Å; H239-S242 PolarHBondContact N-OG 2.69Å; H239-S242 VanDerWaalsContact O-CB 3.29Å; H239-S242 WeakPolarHBondContact O-CB 3.49Å; H239-S242 PolarHBondContact O-N 3.03Å; H239-S242 PolarHBondContact O-OG 3.47Å
240S92.6Very high87.4Confident79 Ų7960.7 Ų60.755%0.55233%0.332SS*.THydrogen-bonded Turntrans-49.4-42-174.959.10000114.4E199 K202E199-S240 PolarHBondContact OE1-N 2.94Å; K202-S240 PolarHBondContact NZ-O 3.24Å
241D92.8Very high87.4Confident100 Ų10065 Ų6554%0.53536%0.355SS..THydrogen-bonded Turntrans-92.4-3.4-173.3-48.2-20.7000112.9R217 H239R217-D241 WeakPolarHBondContact CD-O 3.43Å; H239-D241 PolarHBondContact ND1-N 3.28Å; H239-D241 PolarHBondContact O-N 3.36Å; H239-D241 VanDerWaalsContact O-N 3.12Å
242S94.3Very high87.4Confident1 Ų159.2 Ų59.21%0.00733%0.325CS..  trans-63.5137175.8-58.60000110.1R217 H239R217-S242 VanDerWaalsContact O-CA 3.28Å; R217-S242 WeakPolarHBondContact O-CA 3.44Å; R217-S242 WeakPolarHBondContact O-CB 3.3Å; R217-S242 PolarHBondContact O-OG 2.87Å; H239-S242 PolarHBondContact CD2-OG 3.42Å; H239-S242 PolarHBondContact N-OG 2.69Å; H239-S242 VanDerWaalsContact O-CB 3.29Å; H239-S242 WeakPolarHBondContact O-CB 3.49Å; H239-S242 PolarHBondContact O-N 3.03Å; H239-S242 PolarHBondContact O-OG 3.47Å
243Q93.4Very high87Confident79 Ų7963.8 Ų63.837%0.36936%0.357SS..EExtended strand (participates in β ladder)trans-115.2124178.2-59.7-178.4-7.200108.5V215 S216V215-Q243 WeakPolarHBondContact CA-O 3.19Å; S216-Q243 PolarHBondContact N-O 2.81Å; S216-Q243 PolarHBondContact O-N 3.05Å
244V94.7Very high86.6Confident6 Ų662 Ų624%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-124.3117.2171.6-171.30000107.2F203 I207 Y213 Y214 V215 L238F203-V244 HydrophobicContact CD1-CB 3.94Å; F203-V244 HydrophobicContact CD1-CG2 4.01Å; F203-V244 HydrophobicContact CE1-CB 3.74Å; F203-V244 HydrophobicContact CE1-CG2 3.75Å; F203-V244 HydrophobicContact CZ-CG2 4.13Å; I207-V244 HydrophobicContact CD1-CG1 3.6Å; Y213-V244 HydrophobicContact CD1-CG1 3.86Å; Y213-V244 HydrophobicContact CG-CG1 4.11Å; Y214-V244 CarbonylContact O-C 3.49Å; Y214-V244 VanDerWaalsContact O-CA 3.29Å; Y214-V244 WeakPolarHBondContact O-CA 3.44Å; V215-V244 HydrophobicContact CG1-CG2 4.36Å; V215-V244 HydrophobicContact CG2-CG1 3.96Å; V215-V244 HydrophobicContact CG2-CG2 4.18Å; L238-V244 HydrophobicContact CD2-CG2 4.11Å
245L93.5Very high86.1Confident99 Ų9959.6 Ų59.652%0.51834%0.344SS..EExtended strand (participates in β ladder)trans-124.8131.4-176-63.3173.8000109.1Y213 Y214Y213-L245 CarbonylContact C-O 3.55Å; Y213-L245 VanDerWaalsContact CA-O 3.28Å; Y213-L245 WeakPolarHBondContact CA-O 3.31Å; Y214-L245 PolarHBondContact N-O 2.94Å; Y214-L245 PolarHBondContact O-N 2.79Å
246P92.5Very high85.5Confident73 Ų7361.1 Ų61.147%0.47436%0.356SS..EExtended strand (participates in β ladder)trans-55.7140.4170.2-22.833.1000111.2Y213Y213-P246 HydrophobicContact CD1-CB 4.43Å; Y213-P246 HydrophobicContact CD1-CG 4.3Å; Y213-P246 HydrophobicContact CE1-CB 4.36Å; Y213-P246 HydrophobicContact CE1-CG 4.06Å
247C88.2Confident84.5Confident20 Ų2068.2 Ų68.214%0.13539%0.389CS..  trans-88.2115.7173.7-179.50000108.8R158 V212 Y214R158-C247 PolarHBondContact NE-SG 3.07Å; R158-C247 PolarHBondContact NH2-SG 3.3Å; R158-C247 VanDerWaalsContact NH2-SG 3.4Å; V212-C247 HydrophobicContact CB-CB 3.95Å; V212-C247 HydrophobicContact CG1-CB 3.67Å; V212-C247 WeakPolarHBondContact O-CB 3.43Å; V212-C247 PolarHBondContact O-N 2.88Å; Y214-C247 HydrophobicContact CD2-CB 4.02Å; Y214-C247 HydrophobicContact CE2-CB 3.64Å; Y214-C247 VanDerWaalsContact CE2-SG 3.55Å
248E83.8Confident83.4Confident187 Ų18768.1 Ų68.187%0.87439%0.388SS*.  trans-90.3-2.8177.3-62.2-176.3172.900112.7S250E248-S250 PolarHBondContact O-N 3.29Å
249D74.3Confident82.4Confident56 Ų5674.8 Ų74.830%0.29942%0.419SS..  trans-63.5131.2-178.5-63-6.1000110.7R158 Y214 D251R158-D249 IonicContact CZ-OD2 3.89Å; R158-D249 IonicContact NH2-OD2 3.75Å; Y214-D249 PolarHBondContact OH-OD2 2.85Å; D249-D251 PolarHBondContact O-N 2.95Å
250S63.1Low81.8Confident128 Ų12873.3 Ų73.390%0.89541%0.412SS*.SBendtrans-65.3-25177.552.30000113.3E248 T252E248-S250 PolarHBondContact O-N 3.29Å; S250-T252 PolarHBondContact O-N 3.19Å
251D73.5Confident81.4Confident97 Ų9775 Ų7552%0.51942%0.415SS..  trans-97.878-177.8-165.810.3000112.1R158 D249 S253R158-D251 PolarHBondContact NH1-O 2.82Å; R158-D251 PolarHBondContact NH2-O 2.83Å; D249-D251 PolarHBondContact O-N 2.95Å; D251-S253 WeakPolarHBondContact OD1-CB 3.45Å; D251-S253 PolarHBondContact OD1-N 2.95Å; D251-S253 PolarHBondContact OD1-OG 3.29Å
252T74.9Confident81.2Confident37 Ų3772.4 Ų72.423%0.22740%0.399CS..  trans-97.99.4169.555.60000112.3V212 S250 S254 L255V212-T252 HydrophobicContact CB-CG2 4.11Å; V212-T252 HydrophobicContact CG1-CG2 4.35Å; V212-T252 HydrophobicContact CG2-CG2 3.78Å; S250-T252 PolarHBondContact O-N 3.19Å; T252-S254 PolarHBondContact O-N 3.2Å; T252-L255 PolarHBondContact O-N 2.78Å; T252-L255 VanDerWaalsContact O-N 3.12Å
253S70.9Confident81Confident102 Ų10273.9 Ų73.971%0.71341%0.406SS*.THydrogen-bonded Turntrans-64.7-26.3-174.169.40000113.1D251 L255D251-S253 WeakPolarHBondContact OD1-CB 3.45Å; D251-S253 PolarHBondContact OD1-N 2.95Å; D251-S253 PolarHBondContact OD1-OG 3.29Å; S253-L255 VanDerWaalsContact C-N 3.28Å; S253-L255 PolarHBondContact O-N 2.81Å
254S77.3Confident81Confident73 Ų7372 Ų7251%0.5140%0.402SS..THydrogen-bonded Turntrans-73.1-18.9177.868.80000113.7T252T252-S254 PolarHBondContact O-N 3.2Å
255L79.6Confident80.9Confident5 Ų571.7 Ų71.73%0.02640%0.4CS..SBendtrans-89130-177-66.8172.8000110.1R158 D186 V212 T252 S253 E257R158-L255 HydrophobicContact CG-CD1 4.22Å; R158-L255 WeakPolarHBondContact O-CD2 3.42Å; D186-L255 HydrophobicContact CB-CD2 3.95Å; V212-L255 HydrophobicContact CB-CD1 4.29Å; V212-L255 HydrophobicContact CG1-CD1 3.39Å; V212-L255 HydrophobicContact CG2-CD1 3.83Å; T252-L255 PolarHBondContact O-N 2.78Å; T252-L255 VanDerWaalsContact O-N 3.12Å; S253-L255 VanDerWaalsContact C-N 3.28Å; S253-L255 PolarHBondContact O-N 2.81Å; L255-E257 PolarHBondContact O-N 2.74Å
256P78.3Confident80.7Confident50 Ų5068.3 Ų68.333%0.32539%0.39SS..PPolyproline II helixtrans-58.4138.5-179.324.7-33.9000111.2R160 V185 D186R160-P256 PolarHBondContact NE-O 2.81Å; V185-P256 HydrophobicContact CB-CG 4.44Å; V185-P256 HydrophobicContact CG1-CG 4.17Å; V185-P256 HydrophobicContact CG2-CG 3.62Å; D186-P256 WeakPolarHBondContact O-CG 3.38Å
257E73.3Confident80.6Confident149 Ų14971.3 Ų71.370%0.69640%0.395SS*.PPolyproline II helixtrans-82.7156.7169.8-64.5-170164.300110.3L255 H259L255-E257 PolarHBondContact O-N 2.74Å; E257-H259 PolarHBondContact O-N 3.46Å
258T70.9Confident80.7Confident20 Ų2070.4 Ų70.412%0.12339%0.389CS..  trans-65.497.9174.4-54.10000109.2N210 F260 K339N210-T258 PolarHBondContact OD1-OG1 2.89Å; T258-F260 HydrophobicContact CG2-CE2 4.07Å; T258-F260 HydrophobicContact CG2-CZ 3.98Å; T258-F260 WeakPolarHBondContact O-CD2 3.37Å; T258-K339 HydrophobicContact CG2-CD 3.88Å
259H74.5Confident80.7Confident145 Ų14565.8 Ų65.867%0.67137%0.37SS*.  trans-76.5134.5174.6-172.2-83000110.2E257 K339E257-H259 PolarHBondContact O-N 3.46Å; H259-K339 PolarHBondContact O-NZ 3.41Å
260F81.7Confident81.2Confident33 Ų3368.1 Ų68.115%0.14539%0.386CS..  trans-107.1128.1173.3-65.5-88.4000109.4T258 F262 V337 K339 L360 I366T258-F260 HydrophobicContact CG2-CE2 4.07Å; T258-F260 HydrophobicContact CG2-CZ 3.98Å; T258-F260 WeakPolarHBondContact O-CD2 3.37Å; F260-F262 HydrophobicContact CB-CD1 4.13Å; F260-F262 HydrophobicContact CB-CD2 3.89Å; F260-F262 HydrophobicContact CB-CE1 3.68Å; F260-F262 HydrophobicContact CB-CE2 3.43Å; F260-F262 VanDerWaalsContact CB-CE2 3.43Å; F260-F262 HydrophobicContact CB-CG 4.22Å; F260-F262 HydrophobicContact CB-CZ 3.31Å; F260-F262 AromaticContact CD1-CE1 3.82Å; F260-F262 HydrophobicContact CD1-CE1 3.82Å; F260-F262 AromaticContact CD1-CZ 3.77Å; F260-F262 HydrophobicContact CD1-CZ 3.77Å; F260-F262 HydrophobicContact CD2-CE2 4.46Å; F260-F262 HydrophobicContact CD2-CZ 4.08Å; F260-F262 AromaticContact CG-CE1 3.92Å; F260-F262 HydrophobicContact CG-CE1 3.92Å; F260-F262 AromaticContact CG-CE2 3.99Å; F260-F262 HydrophobicContact CG-CE2 3.99Å; F260-F262 AromaticContact CG-CZ 3.46Å; F260-F262 HydrophobicContact CG-CZ 3.46Å; F260-F262 VanDerWaalsContact CG-CZ 3.46Å; F260-V337 HydrophobicContact CD1-CG1 3.85Å; F260-V337 HydrophobicContact CE1-CG1 3.41Å; F260-V337 VanDerWaalsContact CE1-CG1 3.41Å; F260-V337 HydrophobicContact CZ-CG1 3.83Å; F260-K339 HydrophobicContact CD1-CB 4.42Å; F260-K339 HydrophobicContact CE1-CB 3.98Å; F260-K339 HydrophobicContact CE1-CD 4.35Å; F260-K339 HydrophobicContact CE1-CG 4.38Å; F260-L360 HydrophobicContact CZ-CD1 4.04Å; F260-I366 HydrophobicContact CD2-CD1 4.28Å; F260-I366 HydrophobicContact CE2-CD1 3.61Å; F260-I366 HydrophobicContact CE2-CG1 4.42Å; F260-I366 HydrophobicContact CZ-CD1 3.89Å
261N83.4Confident82.2Confident115 Ų11564.8 Ų64.862%0.61536%0.357SS*.  trans-101.274.9172.4-174.223.4000109.8I263 D278N261-I263 PolarHBondContact O-N 3.45Å; N261-D278 PolarHBondContact N-OD2 2.67Å
262F90Very high82.6Confident45 Ų4563.9 Ų63.920%0.19736%0.358CS..BIsolated β-bridgetrans-64.2127.2-171.9-67.8-56.6000112.6F260 D278 V280 V337 I366 E368F260-F262 HydrophobicContact CB-CD1 4.13Å; F260-F262 HydrophobicContact CB-CD2 3.89Å; F260-F262 HydrophobicContact CB-CE1 3.68Å; F260-F262 HydrophobicContact CB-CE2 3.43Å; F260-F262 VanDerWaalsContact CB-CE2 3.43Å; F260-F262 HydrophobicContact CB-CG 4.22Å; F260-F262 HydrophobicContact CB-CZ 3.31Å; F260-F262 AromaticContact CD1-CE1 3.82Å; F260-F262 HydrophobicContact CD1-CE1 3.82Å; F260-F262 AromaticContact CD1-CZ 3.77Å; F260-F262 HydrophobicContact CD1-CZ 3.77Å; F260-F262 HydrophobicContact CD2-CE2 4.46Å; F260-F262 HydrophobicContact CD2-CZ 4.08Å; F260-F262 AromaticContact CG-CE1 3.92Å; F260-F262 HydrophobicContact CG-CE1 3.92Å; F260-F262 AromaticContact CG-CE2 3.99Å; F260-F262 HydrophobicContact CG-CE2 3.99Å; F260-F262 AromaticContact CG-CZ 3.46Å; F260-F262 HydrophobicContact CG-CZ 3.46Å; F260-F262 VanDerWaalsContact CG-CZ 3.46Å; F262-D278 WeakPolarHBondContact CA-O 3.44Å; F262-D278 HydrophobicContact CD1-CB 4.24Å; F262-V280 HydrophobicContact CB-CG1 4.43Å; F262-V280 HydrophobicContact CD1-CB 4Å; F262-V280 HydrophobicContact CD1-CG1 3.95Å; F262-V280 HydrophobicContact CD2-CG1 4.28Å; F262-V280 HydrophobicContact CE1-CB 3.84Å; F262-V280 HydrophobicContact CE1-CG1 4.24Å; F262-V280 HydrophobicContact CG-CB 4.47Å; F262-V280 HydrophobicContact CG-CG1 3.97Å; F262-V280 HydrophobicContact CZ-CB 4.16Å; F262-V337 HydrophobicContact CE1-CG1 3.84Å; F262-V337 HydrophobicContact CZ-CG1 3.81Å; F262-V337 HydrophobicContact CZ-CG2 4.28Å; F262-I366 HydrophobicContact CE2-CG2 4.08Å; F262-I366 HydrophobicContact CZ-CG2 4.17Å; F262-E368 HydrophobicContact CD2-CB 4.13Å; F262-E368 HydrophobicContact CD2-CG 3.82Å; F262-E368 HydrophobicContact CE2-CB 4Å; F262-E368 HydrophobicContact CE2-CG 4.02Å
263I89.9Confident83.1Confident32 Ų3265.1 Ų65.116%0.16437%0.367CS..PPolyproline II helixtrans-99.7127.8168-59.6-175000108N261 K267 Q271 V277 D278N261-I263 PolarHBondContact O-N 3.45Å; I263-K267 HydrophobicContact CG2-CB 4.05Å; I263-Q271 HydrophobicContact CD1-CG 3.82Å; I263-V277 HydrophobicContact CD1-CB 4.11Å; I263-V277 HydrophobicContact CD1-CG1 3.67Å; I263-D278 PolarHBondContact N-O 2.69Å
264S92.2Very high83.5Confident39 Ų3961.4 Ų61.427%0.27334%0.344SS..PPolyproline II helixtrans-63.4143.1173.8178.10000110.5G266 K267 D310 S312S264-G266 VanDerWaalsContact C-N 3.31Å; S264-G266 PolarHBondContact O-N 3.49Å; S264-K267 PolarHBondContact O-N 2.85Å; S264-D310 VanDerWaalsContact CA-OD2 3.3Å; S264-D310 WeakPolarHBondContact CA-OD2 3.28Å; S264-D310 WeakPolarHBondContact CB-OD2 3.31Å; S264-D310 PolarHBondContact OG-OD2 2.95Å; S264-S312 WeakPolarHBondContact OG-CB 3.43Å
265I93.6Very high83.9Confident0 Ų059.1 Ų59.10%033%0.329CS..G310 helixtrans-54.8-48.1-174.6-64.3178000110.2K267 L268 I279 L308 V309 D310 C314 V316 F388I265-K267 PolarHBondContact O-N 3.05Å; I265-L268 HydrophobicContact CG2-CD1 4.18Å; I265-L268 VanDerWaalsContact O-CB 3.25Å; I265-L268 WeakPolarHBondContact O-CB 3.37Å; I265-L268 WeakPolarHBondContact O-CG 3.38Å; I265-L268 PolarHBondContact O-N 3.16Å; I265-I279 HydrophobicContact CG1-CG2 4.45Å; I265-L308 HydrophobicContact CD1-CB 4.14Å; I265-V309 VanDerWaalsContact CD1-C 3.48Å; I265-D310 HydrophobicContact CD1-CB 3.75Å; I265-D310 HydrophobicContact CG1-CB 4Å; I265-D310 PolarHBondContact N-OD2 2.87Å; I265-C314 HydrophobicContact CB-CB 4.43Å; I265-C314 HydrophobicContact CG2-CB 3.83Å; I265-V316 HydrophobicContact CD1-CG1 4.06Å; I265-V316 HydrophobicContact CG1-CG1 4.23Å; I265-V316 HydrophobicContact CG2-CB 3.72Å; I265-V316 HydrophobicContact CG2-CG1 3.63Å; I265-F388 HydrophobicContact CG2-CE2 3.93Å; I265-F388 HydrophobicContact CG2-CZ 4.38Å; I265-F388 WeakPolarHBondContact O-CZ 3.4Å
266G89.6Confident84.3Confident29 Ų2963.8 Ų63.830%0.29935%0.349SS..G310 helixtrans-61.6-10.7178.300000115.9S264 S312 C314S264-G266 VanDerWaalsContact C-N 3.31Å; S264-G266 PolarHBondContact O-N 3.49Å; G266-S312 PolarHBondContact N-OG 3.31Å; G266-C314 WeakPolarHBondContact CA-SG 3.46Å
267K90.2Very high84.8Confident135 Ų13561.7 Ų61.759%0.58734%0.335SS*.G310 helixtrans-98.64.4174.9-65.4-175.9179.6178.60113.4I263 S264 I265 D269 T270I263-K267 HydrophobicContact CG2-CB 4.05Å; S264-K267 PolarHBondContact O-N 2.85Å; I265-K267 PolarHBondContact O-N 3.05Å; K267-D269 PolarHBondContact O-N 3.22Å; K267-T270 WeakPolarHBondContact O-CB 3.49Å; K267-T270 PolarHBondContact O-N 3.04Å; K267-T270 VanDerWaalsContact O-N 3.1Å; K267-T270 PolarHBondContact O-OG1 2.89Å
268L89.5Confident85.7Confident1 Ų155.5 Ų55.51%0.00531%0.307CS..G310 helixtrans-60.8-25.6179.1-79.4175.8000113.9I265 T270 Q271 V277 I279 V316 I343 R349 L351 F388I265-L268 HydrophobicContact CG2-CD1 4.18Å; I265-L268 VanDerWaalsContact O-CB 3.25Å; I265-L268 WeakPolarHBondContact O-CB 3.37Å; I265-L268 WeakPolarHBondContact O-CG 3.38Å; I265-L268 PolarHBondContact O-N 3.16Å; L268-T270 PolarHBondContact O-N 2.84Å; L268-Q271 PolarHBondContact O-N 2.93Å; L268-Q271 VanDerWaalsContact O-N 3.16Å; L268-V277 HydrophobicContact CD2-CG2 4.14Å; L268-I279 HydrophobicContact CD1-CD1 3.87Å; L268-I279 HydrophobicContact CD2-CD1 3.59Å; L268-I279 HydrophobicContact CG-CD1 3.97Å; L268-V316 HydrophobicContact CD1-CB 4.05Å; L268-V316 HydrophobicContact CD1-CG1 4.15Å; L268-V316 HydrophobicContact CD1-CG2 3.72Å; L268-I343 HydrophobicContact CD2-CD1 3.69Å; L268-I343 HydrophobicContact CD2-CG1 4.26Å; L268-R349 HydrophobicContact CB-CB 4.37Å; L268-R349 HydrophobicContact CB-CG 4.31Å; L268-R349 PolarHBondContact O-NE 2.92Å; L268-L351 HydrophobicContact CD1-CD1 4.36Å; L268-L351 HydrophobicContact CD1-CD2 4.29Å; L268-L351 HydrophobicContact CD1-CG 4.39Å; L268-L351 HydrophobicContact CD2-CD2 4.19Å; L268-F388 HydrophobicContact CB-CE1 4.27Å; L268-F388 HydrophobicContact CB-CZ 3.93Å; L268-F388 HydrophobicContact CD1-CE2 4.33Å; L268-F388 HydrophobicContact CD1-CZ 4.44Å
269D84.7Confident86.7Confident91 Ų9154.6 Ų54.649%0.48730%0.301SS..G310 helixtrans-63.8-27.4176.1-74.6-32000113.2K267 Q271 R349 F388K267-D269 PolarHBondContact O-N 3.22Å; D269-Q271 PolarHBondContact O-N 3.16Å; D269-R349 PolarHBondContact O-NH2 3.04Å; D269-R349 WeakPolarHBondContact OD1-CG 3.23Å; D269-R349 IonicContact OD1-NE 2.72Å; D269-F388 WeakPolarHBondContact OD1-CD1 3.04Å; D269-F388 WeakPolarHBondContact OD2-CD1 3.37Å; D269-F388 VanDerWaalsContact OD2-CE1 3.31Å; D269-F388 WeakPolarHBondContact OD2-CE1 3.47Å
270T84.2Confident87.7Confident104 Ų10448.4 Ų48.464%0.63827%0.274SS*.G310 helixtrans-71.7-13177.770.70000113.6K267 L268K267-T270 WeakPolarHBondContact O-CB 3.49Å; K267-T270 PolarHBondContact O-N 3.04Å; K267-T270 VanDerWaalsContact O-N 3.1Å; K267-T270 PolarHBondContact O-OG1 2.89Å; L268-T270 PolarHBondContact O-N 2.84Å
271Q84.3Confident88.3Confident59 Ų5946.9 Ų46.928%0.27627%0.267SS..SBendtrans-99143.7-176.4-58-59.1-5300111I263 L268 D269 V277 I343 R349I263-Q271 HydrophobicContact CD1-CG 3.82Å; L268-Q271 PolarHBondContact O-N 2.93Å; L268-Q271 VanDerWaalsContact O-N 3.16Å; D269-Q271 PolarHBondContact O-N 3.16Å; Q271-V277 HydrophobicContact CG-CG1 4.1Å; Q271-I343 HydrophobicContact CB-CD1 3.34Å; Q271-I343 HydrophobicContact CG-CD1 3.98Å; Q271-R349 PolarHBondContact O-NH2 2.64Å
272S82.8Confident88.9Confident78 Ų7841.4 Ų41.455%0.54524%0.238SC..PPolyproline II helixtrans-74.4139.2-178.555.70000111.6G274 S275S272-G274 PolarHBondContact O-N 2.63Å; S272-S275 VanDerWaalsContact O-CB 3.29Å; S272-S275 WeakPolarHBondContact O-CB 3.38Å; S272-S275 PolarHBondContact O-N 2.66Å; S272-S275 VanDerWaalsContact O-N 3.13Å; S272-S275 PolarHBondContact O-OG 3.45Å
273P83.4Confident89.1Confident63 Ų6339.3 Ų39.341%0.40923%0.229SC..THydrogen-bonded Turntrans-56135.2173.1-25.935.1000111.9S275 D345P273-S275 VanDerWaalsContact C-N 3.33Å; P273-D345 HydrophobicContact CB-CB 4.18Å; P273-D345 HydrophobicContact CG-CB 3.89Å
274G80.2Confident89.1Confident23 Ų2340.4 Ų40.424%0.23723%0.233CC..THydrogen-bonded Turntrans84.2-1.9-176.900000115.4S272 I343S272-G274 PolarHBondContact O-N 2.63Å; G274-I343 WeakPolarHBondContact CA-O 3.42Å; G274-I343 PolarHBondContact N-O 3Å
275S85.6Confident88.9Confident26 Ų2642.1 Ų42.118%0.18224%0.236CC..  trans-73168.5166.265.60000111.5S272 P273 I343S272-S275 VanDerWaalsContact O-CB 3.29Å; S272-S275 WeakPolarHBondContact O-CB 3.38Å; S272-S275 PolarHBondContact O-N 2.66Å; S272-S275 VanDerWaalsContact O-N 3.13Å; S272-S275 PolarHBondContact O-OG 3.45Å; P273-S275 VanDerWaalsContact C-N 3.33Å; S275-I343 PolarHBondContact O-N 3.36Å
276F87.9Confident88.8Confident102 Ų10244.8 Ų44.845%0.44726%0.255SS..EExtended strand (participates in β ladder)trans-116.2136.8177.1-63.8-88000109.8A340 A341 K342F276-A340 HydrophobicContact CB-CB 4.08Å; F276-A340 HydrophobicContact CD1-CB 4.34Å; F276-A340 WeakPolarHBondContact CD1-O 3.49Å; F276-A341 CarbonylContact C-O 3.51Å; F276-A341 VanDerWaalsContact CA-O 3.28Å; F276-A341 WeakPolarHBondContact CA-O 3.42Å; F276-K342 HydrophobicContact CD1-CB 4.02Å; F276-K342 HydrophobicContact CE1-CB 3.84Å; F276-K342 HydrophobicContact CE1-CD 4.49Å; F276-K342 HydrophobicContact CE1-CG 4.15Å
277V89.5Confident88.7Confident6 Ų645 Ų454%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-134.9151.8-177-63.60000111.7I263 L268 Q271 I279 A340 A341 I343 L351I263-V277 HydrophobicContact CD1-CB 4.11Å; I263-V277 HydrophobicContact CD1-CG1 3.67Å; L268-V277 HydrophobicContact CD2-CG2 4.14Å; Q271-V277 HydrophobicContact CG-CG1 4.1Å; V277-I279 HydrophobicContact CG2-CD1 4.1Å; V277-I279 HydrophobicContact CG2-CG1 4Å; V277-A340 CarbonylContact O-C 3.5Å; V277-A340 WeakPolarHBondContact O-CA 3.2Å; V277-A340 PolarHBondContact O-N 2.83Å; V277-A341 HydrophobicContact CG2-CB 4.47Å; V277-A341 PolarHBondContact N-O 2.71Å; V277-A341 PolarHBondContact O-N 3.1Å; V277-I343 HydrophobicContact CB-CD1 4.23Å; V277-I343 HydrophobicContact CG1-CD1 3.43Å; V277-I343 VanDerWaalsContact CG1-CD1 3.43Å; V277-I343 HydrophobicContact CG1-CG1 4.17Å; V277-I343 HydrophobicContact CG2-CD1 3.72Å; V277-I343 HydrophobicContact CG2-CG1 3.75Å; V277-L351 HydrophobicContact CG2-CD2 4.15Å
278D90.8Very high88.7Confident20 Ų2046.7 Ų46.711%0.10727%0.267CS..EExtended strand (participates in β ladder)trans-91.6128.4171.2-63.6-11.2000108.2N261 F262 I263 I338 K339 A340N261-D278 PolarHBondContact N-OD2 2.67Å; F262-D278 WeakPolarHBondContact CA-O 3.44Å; F262-D278 HydrophobicContact CD1-CB 4.24Å; I263-D278 PolarHBondContact N-O 2.69Å; D278-I338 CarbonylContact C-O 3.56Å; D278-I338 VanDerWaalsContact CA-O 3.31Å; D278-I338 WeakPolarHBondContact CA-O 3.38Å; D278-K339 WeakPolarHBondContact OD1-CA 3.33Å; D278-K339 VanDerWaalsContact OD1-CG 3.3Å; D278-K339 WeakPolarHBondContact OD1-CG 3.19Å; D278-K339 IonicContact OD2-NZ 2.81Å; D278-K339 PolarHBondContact OD2-NZ 3.26Å; D278-K339 VanDerWaalsContact OD2-NZ 3.08Å; D278-A340 PolarHBondContact OD1-N 2.79Å
279I93Very high88.8Confident0 Ų048.9 Ų48.90%028%0.28CS..EExtended strand (participates in β ladder)trans-133.7143.9-177.7-77.4-159.1000111.3I265 L268 V277 L308 I338 L351I265-I279 HydrophobicContact CG1-CG2 4.45Å; L268-I279 HydrophobicContact CD1-CD1 3.87Å; L268-I279 HydrophobicContact CD2-CD1 3.59Å; L268-I279 HydrophobicContact CG-CD1 3.97Å; V277-I279 HydrophobicContact CG2-CD1 4.1Å; V277-I279 HydrophobicContact CG2-CG1 4Å; I279-L308 HydrophobicContact CG2-CD1 4.49Å; I279-I338 PolarHBondContact N-O 2.78Å; I279-I338 PolarHBondContact O-N 2.73Å; I279-L351 HydrophobicContact CD1-CD1 3.72Å; I279-L351 HydrophobicContact CD1-CD2 4.32Å; I279-L351 HydrophobicContact CG2-CD1 4.31Å
280V95Very high89.1Confident16 Ų1648.7 Ų48.710%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-120.3132.116759.10000108.2F262 V335 I336 V337 E368 A369 L372F262-V280 HydrophobicContact CB-CG1 4.43Å; F262-V280 HydrophobicContact CD1-CB 4Å; F262-V280 HydrophobicContact CD1-CG1 3.95Å; F262-V280 HydrophobicContact CD2-CG1 4.28Å; F262-V280 HydrophobicContact CE1-CB 3.84Å; F262-V280 HydrophobicContact CE1-CG1 4.24Å; F262-V280 HydrophobicContact CG-CB 4.47Å; F262-V280 HydrophobicContact CG-CG1 3.97Å; F262-V280 HydrophobicContact CZ-CB 4.16Å; V280-V335 HydrophobicContact CG2-CG1 3.88Å; V280-I336 WeakPolarHBondContact CA-O 3.3Å; V280-V337 HydrophobicContact CB-CG2 4.11Å; V280-V337 HydrophobicContact CG2-CG2 3.75Å; V280-E368 HydrophobicContact CG1-CB 4.18Å; V280-A369 HydrophobicContact CG2-CB 4.18Å; V280-L372 HydrophobicContact CG2-CD2 4.17Å
281G95.4Very high89.2Confident0 Ų046.3 Ų46.30%026%0.264CS..EExtended strand (participates in β ladder)trans-157.3148.1-176.500000111.8V309 I336 L372G281-V309 CarbonylContact C-O 3.52Å; G281-V309 WeakPolarHBondContact CA-O 2.78Å; G281-I336 PolarHBondContact N-O 3.42Å; G281-I336 PolarHBondContact O-N 3.4Å; G281-L372 VanDerWaalsContact CA-CD2 3.49Å
282V95.2Very high89.2Confident1 Ų145.4 Ų45.41%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-86.6136.2170.3-167.80000108.9H284 L308 V309 H333 V335 L372 Y376V282-H284 PolarHBondContact O-N 2.87Å; V282-H284 VanDerWaalsContact O-N 3.14Å; V282-L308 WeakPolarHBondContact O-CA 3.48Å; V282-V309 HydrophobicContact CB-CG2 4.15Å; V282-V309 PolarHBondContact N-O 3.39Å; V282-V309 PolarHBondContact O-N 3.1Å; V282-H333 HydrophobicContact CG1-CB 4.13Å; V282-H333 VanDerWaalsContact CG1-O 3.28Å; V282-H333 WeakPolarHBondContact CG1-O 3.49Å; V282-V335 HydrophobicContact CG2-CG2 3.96Å; V282-L372 HydrophobicContact CG2-CB 4.42Å; V282-L372 HydrophobicContact CG2-CD2 3.66Å; V282-L372 HydrophobicContact CG2-CG 3.67Å; V282-Y376 HydrophobicContact CB-CD2 4.02Å; V282-Y376 HydrophobicContact CB-CG 4.04Å; V282-Y376 HydrophobicContact CG1-CD1 3.68Å; V282-Y376 HydrophobicContact CG1-CD2 3.97Å; V282-Y376 HydrophobicContact CG1-CE1 3.98Å; V282-Y376 HydrophobicContact CG1-CE2 4.26Å; V282-Y376 HydrophobicContact CG1-CG 3.66Å; V282-Y376 HydrophobicContact CG2-CD2 4.32Å; V282-Y376 HydrophobicContact CG2-CG 4.08Å
283V95.1Very high89.1Confident1 Ų145.4 Ų45.41%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-75.8104.5175.3177.20000108.5C286 L306 L308 F328 H333 P334 I336V283-C286 HydrophobicContact CG1-CB 4.4Å; V283-L306 HydrophobicContact CG1-CB 4.46Å; V283-L306 HydrophobicContact CG1-CD1 4.5Å; V283-L306 HydrophobicContact CG1-CD2 4.38Å; V283-L306 HydrophobicContact CG2-CD1 4.13Å; V283-L308 HydrophobicContact CB-CD2 4.4Å; V283-L308 HydrophobicContact CG2-CD2 3.52Å; V283-F328 HydrophobicContact CG1-CE1 4.27Å; V283-F328 HydrophobicContact CG1-CZ 4.34Å; V283-F328 HydrophobicContact CG2-CZ 3.9Å; V283-H333 WeakPolarHBondContact O-CA 3.41Å; V283-H333 WeakPolarHBondContact O-CB 3.34Å; V283-H333 PolarHBondContact O-CD2 3.04Å; V283-H333 VanDerWaalsContact O-CD2 3.26Å; V283-P334 HydrophobicContact CB-CG 4.37Å; V283-P334 HydrophobicContact CG2-CG 4.32Å; V283-P334 WeakPolarHBondContact CG2-O 3.46Å; V283-P334 PolarHBondContact N-O 2.91Å; V283-I336 HydrophobicContact CG2-CD1 3.27Å; V283-I336 HydrophobicContact CG2-CG1 3.64Å
284H89.2Confident88.6Confident54 Ų5443.3 Ų43.325%0.2525%0.246CC..EExtended strand (participates in β ladder)trans-85-39.6175.9-173.562000111.5V282 G307 V309 Y376 F385V282-H284 PolarHBondContact O-N 2.87Å; V282-H284 VanDerWaalsContact O-N 3.14Å; H284-G307 PolarHBondContact N-O 3.32Å; H284-V309 HydrophobicContact CB-CB 4.49Å; H284-V309 HydrophobicContact CB-CG1 3.73Å; H284-V309 HydrophobicContact CB-CG2 3.93Å; H284-Y376 AromaticContact ND1-CE2 3.77Å; H284-Y376 AromaticContact ND1-CZ 3.75Å; H284-Y376 PolarHBondContact ND1-OH 3.44Å; H284-F385 AromaticContact CD2-CD2 3.92Å; H284-F385 AromaticContact CD2-CE2 3.93Å; H284-F385 AromaticContact CE1-CE2 3.74Å; H284-F385 AromaticContact CG-CE2 3.89Å; H284-F385 AromaticContact ND1-CE2 3.77Å; H284-F385 AromaticContact NE2-CD2 3.96Å; H284-F385 AromaticContact NE2-CE2 3.84Å
285E87.6Confident87.9Confident75 Ų7547.9 Ų47.935%0.3526%0.259SS..EExtended strand (participates in β ladder)trans-125.2136.9179.9-62.1179.1-163.100110.6L306 G307 L315 R317E285-L306 CarbonylContact O-C 3.55Å; E285-L306 VanDerWaalsContact O-CA 3.29Å; E285-L306 WeakPolarHBondContact O-CA 3.35Å; E285-G307 PolarHBondContact N-O 2.89Å; E285-G307 PolarHBondContact O-N 3.06Å; E285-L315 HydrophobicContact CG-CD1 4.45Å; E285-R317 IonicContact OE1-NH2 3.66Å; E285-R317 IonicContact OE2-CZ 3.1Å; E285-R317 IonicContact OE2-NH1 3.04Å; E285-R317 PolarHBondContact OE2-NH1 3.13Å; E285-R317 IonicContact OE2-NH2 3.85Å; E285-R317 PolarHBondContact OE2-NH2 3.37Å
286C91.2Very high86.9Confident57 Ų5751.9 Ų51.939%0.38529%0.293SS..EExtended strand (participates in β ladder)trans-126109.3174.9-175.70000109.1V283 L306V283-C286 HydrophobicContact CG1-CB 4.4Å; C286-L306 HydrophobicContact CB-CD2 4.05Å; C286-L306 VanDerWaalsContact SG-CD2 3.59Å
287G88.2Confident86Confident34 Ų3450.7 Ų50.735%0.35130%0.298SS..PPolyproline II helixtrans-73.6168.3174.700000112.9R304 E305G287-R304 WeakPolarHBondContact O-CD 3.26Å; G287-R304 VanDerWaalsContact O-CG 3.29Å; G287-R304 WeakPolarHBondContact O-CG 3.35Å; G287-R304 PolarHBondContact O-NE 3.43Å; G287-E305 WeakPolarHBondContact CA-O 3.19Å; G287-E305 PolarHBondContact N-O 2.8Å
288E90.4Very high85.2Confident169 Ų16957.2 Ų57.279%0.7933%0.328SS*.PPolyproline II helixtrans-72.9159172.7-62.5-177.2170.700111.8Q290E288-Q290 PolarHBondContact O-N 3.04Å
289V92Very high84.5Confident47 Ų4762.8 Ų62.829%0.28535%0.348SS..PPolyproline II helixtrans-72.7126.9173-172.30000109R302 E326V289-R302 HydrophobicContact CG1-CB 4.15Å; V289-E326 HydrophobicContact CG1-CG 4.25Å
290Q89.4Confident83.9Confident87 Ų8769.1 Ų69.141%0.40738%0.377SS..EExtended strand (participates in β ladder)trans-108.2140.9174.2-61.5178.4-1.700109.6E288 R302 K303E288-Q290 PolarHBondContact O-N 3.04Å; Q290-R302 CarbonylContact O-C 3.57Å; Q290-R302 WeakPolarHBondContact O-CA 3.22Å; Q290-K303 HydrophobicContact CB-CG 4.02Å; Q290-K303 PolarHBondContact N-O 3.24Å; Q290-K303 PolarHBondContact O-N 2.85Å
291S87.1Confident83.4Confident54 Ų5471.4 Ų71.438%0.37839%0.388SS..EExtended strand (participates in β ladder)trans-94.4129.6167.1-1600000109.2
292I84.7Confident83.1Confident41 Ų4176.3 Ų76.321%0.2141%0.407CS..EExtended strand (participates in β ladder)trans-130.8135176.853.6159.2000110.2L301 K303 W321I292-L301 HydrophobicContact CG1-CB 4.08Å; I292-L301 VanDerWaalsContact CG1-O 3.29Å; I292-L301 WeakPolarHBondContact CG1-O 3.4Å; I292-L301 PolarHBondContact N-O 2.86Å; I292-L301 WeakPolarHBondContact O-CA 3.31Å; I292-L301 PolarHBondContact O-N 2.64Å; I292-K303 HydrophobicContact CD1-CD 3.87Å; I292-K303 HydrophobicContact CD1-CG 4.22Å; I292-K303 HydrophobicContact CG1-CD 4.3Å; I292-K303 HydrophobicContact CG1-CG 4.18Å; I292-K303 HydrophobicContact CG2-CD 4.29Å; I292-K303 HydrophobicContact CG2-CG 4.44Å; I292-W321 HydrophobicContact CD1-CH2 3.82Å; I292-W321 HydrophobicContact CD1-CZ3 3.47Å; I292-W321 VanDerWaalsContact CD1-CZ3 3.47Å; I292-W321 HydrophobicContact CG1-CZ3 4.37Å
293T80.7Confident82.9Confident77 Ų7777.1 Ų77.147%0.47241%0.41SS..EExtended strand (participates in β ladder)trans-84.5121.1176.7-48.50000110.2K295 Q298T293-K295 PolarHBondContact O-N 3.1Å; T293-Q298 WeakPolarHBondContact CG2-O 3.37Å
294A71.4Confident82.8Confident20 Ų2078.8 Ų78.817%0.16542%0.416CS..  trans-65.3121.6178.100000110.8A296 S297 Q298 R299 L301A294-A296 VanDerWaalsContact C-N 3.32Å; A294-A296 PolarHBondContact O-N 3.29Å; A294-S297 WeakPolarHBondContact CB-OG 3.29Å; A294-S297 PolarHBondContact O-N 3.16Å; A294-Q298 VanDerWaalsContact O-CA 3.24Å; A294-Q298 WeakPolarHBondContact O-CA 3.4Å; A294-Q298 PolarHBondContact O-N 3.29Å; A294-R299 VanDerWaalsContact CB-O 3.31Å; A294-R299 WeakPolarHBondContact CB-O 3.44Å; A294-R299 PolarHBondContact N-O 3.26Å; A294-L301 HydrophobicContact CB-CD1 3.66Å; A294-L301 HydrophobicContact CB-CG 4Å
295K66.1Low83Confident119 Ų11979.1 Ų79.152%0.51742%0.418SS..THydrogen-bonded Turntrans-60.1-38.2-173.8-61.5-175-174.7-178.50113.8T293 Q298 S405 G407T293-K295 PolarHBondContact O-N 3.1Å; K295-Q298 PolarHBondContact O-NE2 3.23Å; K295-S405 PolarHBondContact NZ-O 3.43Å; K295-G407 PolarHBondContact NZ-O 2.97Å
296A65.6Low83.3Confident109 Ų10975.5 Ų75.590%0.90140%0.401SS*.THydrogen-bonded Turntrans-78.1-33.3-175.500000113.9A294A294-A296 VanDerWaalsContact C-N 3.32Å; A294-A296 PolarHBondContact O-N 3.29Å
297S69Low83.4Confident78 Ų7872.8 Ų72.855%0.54538%0.383SS..THydrogen-bonded Turntrans-112.8-6.6-174.360.60000114.1A294 R299A294-S297 WeakPolarHBondContact CB-OG 3.29Å; A294-S297 PolarHBondContact O-N 3.16Å; S297-R299 PolarHBondContact O-N 3.41Å; S297-R299 WeakPolarHBondContact OG-CB 3.22Å; S297-R299 PolarHBondContact OG-N 2.8Å
298Q72.8Confident83.7Confident142 Ų14271.2 Ų71.266%0.66437%0.366SS*.  trans54.616.5-168.7-62.6-65.1-44.400113.8T293 A294 K295T293-Q298 WeakPolarHBondContact CG2-O 3.37Å; A294-Q298 VanDerWaalsContact O-CA 3.24Å; A294-Q298 WeakPolarHBondContact O-CA 3.4Å; A294-Q298 PolarHBondContact O-N 3.29Å; K295-Q298 PolarHBondContact O-NE2 3.23Å
299R75.7Confident83.8Confident138 Ų13863.1 Ų63.152%0.52133%0.329SS..  trans-82.5134.3179.6-173.3178.5176165.93.1110.2A294 S297 L301A294-R299 VanDerWaalsContact CB-O 3.31Å; A294-R299 WeakPolarHBondContact CB-O 3.44Å; A294-R299 PolarHBondContact N-O 3.26Å; S297-R299 PolarHBondContact O-N 3.41Å; S297-R299 WeakPolarHBondContact OG-CB 3.22Å; S297-R299 PolarHBondContact OG-N 2.8Å; R299-L301 PolarHBondContact O-N 3.27Å
300E80.7Confident83.9Confident133 Ų13361.2 Ų61.262%0.62132%0.317SS*.EExtended strand (participates in β ladder)trans-66.2128168.3-65-170.5175.400110.7
301L83.8Confident83.9Confident63 Ų6360.1 Ų60.133%0.3332%0.319SS..EExtended strand (participates in β ladder)trans-118.3132.2176-63.4177.3000108.6I292 A294 R299 W321I292-L301 HydrophobicContact CG1-CB 4.08Å; I292-L301 VanDerWaalsContact CG1-O 3.29Å; I292-L301 WeakPolarHBondContact CG1-O 3.4Å; I292-L301 PolarHBondContact N-O 2.86Å; I292-L301 WeakPolarHBondContact O-CA 3.31Å; I292-L301 PolarHBondContact O-N 2.64Å; A294-L301 HydrophobicContact CB-CD1 3.66Å; A294-L301 HydrophobicContact CB-CG 4Å; R299-L301 PolarHBondContact O-N 3.27Å; L301-W321 HydrophobicContact CB-CE3 4.44Å; L301-W321 HydrophobicContact CB-CZ3 4.4Å; L301-W321 HydrophobicContact CD1-CE3 4.43Å; L301-W321 HydrophobicContact CD1-CZ3 4.12Å
302R88.9Confident84Confident103 Ų10359.4 Ų59.439%0.38931%0.314SS..EExtended strand (participates in β ladder)trans-87.3133.1172-62.9-83-167.7-161.9-7.9108.4V289 Q290 W321 G322 E326V289-R302 HydrophobicContact CG1-CB 4.15Å; Q290-R302 CarbonylContact O-C 3.57Å; Q290-R302 WeakPolarHBondContact O-CA 3.22Å; R302-W321 CarbonylContact O-C 3.52Å; R302-W321 WeakPolarHBondContact O-CA 3.43Å; R302-G322 PolarHBondContact O-N 2.98Å; R302-E326 HydrophobicContact CB-CG 4.14Å; R302-E326 VanDerWaalsContact CD-OE1 3.28Å; R302-E326 WeakPolarHBondContact CD-OE1 3.4Å; R302-E326 HydrophobicContact CG-CG 4.22Å; R302-E326 WeakPolarHBondContact CG-OE1 3.23Å; R302-E326 IonicContact NE-OE1 3.08Å; R302-E326 PolarHBondContact NE-OE1 2.81Å; R302-E326 VanDerWaalsContact NE-OE1 3.1Å
303K91.9Very high84Confident19 Ų1960.6 Ų60.68%0.08332%0.321CS..EExtended strand (participates in β ladder)trans-132150.9174.572162.9-170.2152.90110.9Q290 I292 E305 T319 L320 W321Q290-K303 HydrophobicContact CB-CG 4.02Å; Q290-K303 PolarHBondContact N-O 3.24Å; Q290-K303 PolarHBondContact O-N 2.85Å; I292-K303 HydrophobicContact CD1-CD 3.87Å; I292-K303 HydrophobicContact CD1-CG 4.22Å; I292-K303 HydrophobicContact CG1-CD 4.3Å; I292-K303 HydrophobicContact CG1-CG 4.18Å; I292-K303 HydrophobicContact CG2-CD 4.29Å; I292-K303 HydrophobicContact CG2-CG 4.44Å; K303-E305 IonicContact NZ-OE1 2.91Å; K303-E305 PolarHBondContact NZ-OE1 2.89Å; K303-T319 HydrophobicContact CB-CG2 4.3Å; K303-L320 VanDerWaalsContact CA-O 3.29Å; K303-L320 WeakPolarHBondContact CA-O 3.19Å; K303-W321 HydrophobicContact CB-CE3 4.05Å; K303-W321 HydrophobicContact CB-CZ3 4.14Å
304R93.6Very high84.3Confident35 Ų3557.7 Ų57.713%0.13230%0.303CS..EExtended strand (participates in β ladder)trans-138.9135.2171.6-177178.4-82.7163.6-13.1108.7G287 L306 L320 A325 E326 F328G287-R304 WeakPolarHBondContact O-CD 3.26Å; G287-R304 VanDerWaalsContact O-CG 3.29Å; G287-R304 WeakPolarHBondContact O-CG 3.35Å; G287-R304 PolarHBondContact O-NE 3.43Å; R304-L306 HydrophobicContact CG-CD2 4.23Å; R304-L320 PolarHBondContact N-O 3.17Å; R304-L320 PolarHBondContact O-N 2.74Å; R304-A325 HydrophobicContact CB-CB 3.7Å; R304-A325 WeakPolarHBondContact CD-O 3.35Å; R304-A325 PolarHBondContact NE-O 3.27Å; R304-A325 VanDerWaalsContact NE-O 3.16Å; R304-A325 PolarHBondContact NH1-O 2.84Å; R304-E326 PolarHBondContact NH1-O 2.93Å; R304-F328 PolarHBondContact NH1-O 3.27Å
305E92.7Very high85.1Confident61 Ų6157.2 Ų57.229%0.28530%0.298SS..EExtended strand (participates in β ladder)trans-101.9128.9179-70.3-179.8-159.300110.1G287 K303 L318G287-E305 WeakPolarHBondContact CA-O 3.19Å; G287-E305 PolarHBondContact N-O 2.8Å; K303-E305 IonicContact NZ-OE1 2.91Å; K303-E305 PolarHBondContact NZ-OE1 2.89Å; E305-L318 CarbonylContact C-O 3.47Å; E305-L318 WeakPolarHBondContact CA-O 3.28Å
306L94.2Very high86.4Confident0 Ų051.5 Ų51.50%027%0.273CS..EExtended strand (participates in β ladder)trans-112.5145.6175.4-53.2-174.8000109.8V283 E285 C286 R304 R317 L318 L320 F328 I336V283-L306 HydrophobicContact CG1-CB 4.46Å; V283-L306 HydrophobicContact CG1-CD1 4.5Å; V283-L306 HydrophobicContact CG1-CD2 4.38Å; V283-L306 HydrophobicContact CG2-CD1 4.13Å; E285-L306 CarbonylContact O-C 3.55Å; E285-L306 VanDerWaalsContact O-CA 3.29Å; E285-L306 WeakPolarHBondContact O-CA 3.35Å; C286-L306 HydrophobicContact CB-CD2 4.05Å; C286-L306 VanDerWaalsContact SG-CD2 3.59Å; R304-L306 HydrophobicContact CG-CD2 4.23Å; L306-R317 CarbonylContact O-C 3.56Å; L306-R317 WeakPolarHBondContact O-CA 3.44Å; L306-L318 HydrophobicContact CB-CB 4.38Å; L306-L318 HydrophobicContact CD1-CD2 4.32Å; L306-L318 PolarHBondContact N-O 2.81Å; L306-L318 PolarHBondContact O-N 2.86Å; L306-L320 HydrophobicContact CD1-CD1 3.63Å; L306-L320 HydrophobicContact CD1-CG 4.01Å; L306-L320 HydrophobicContact CG-CD1 4.19Å; L306-L320 HydrophobicContact CG-CG 4.29Å; L306-F328 HydrophobicContact CD1-CD1 3.99Å; L306-F328 HydrophobicContact CD1-CD2 4.43Å; L306-F328 HydrophobicContact CD1-CE1 3.58Å; L306-F328 HydrophobicContact CD1-CE2 4.1Å; L306-F328 HydrophobicContact CD1-CG 4.41Å; L306-F328 HydrophobicContact CD1-CZ 3.68Å; L306-F328 HydrophobicContact CD2-CD1 3.82Å; L306-F328 HydrophobicContact CD2-CE1 3.64Å; L306-F328 HydrophobicContact CG-CE1 4.3Å; L306-I336 HydrophobicContact CD1-CD1 3.73Å
307G92.4Very high87.8Confident0 Ų050.7 Ų50.70%025%0.247CC..EExtended strand (participates in β ladder)trans-97.4113.2165.700000109.3H284 E285H284-G307 PolarHBondContact N-O 3.32Å; E285-G307 PolarHBondContact N-O 2.89Å; E285-G307 PolarHBondContact O-N 3.06Å
308L94.6Very high89Confident0 Ų047 Ų470%022%0.221CC..EExtended strand (participates in β ladder)trans-97.8139.1176.3-64.6-173.2000110.9I265 I279 V282 V283 L315 V316 L318 I336 I338I265-L308 HydrophobicContact CD1-CB 4.14Å; I279-L308 HydrophobicContact CG2-CD1 4.49Å; V282-L308 WeakPolarHBondContact O-CA 3.48Å; V283-L308 HydrophobicContact CB-CD2 4.4Å; V283-L308 HydrophobicContact CG2-CD2 3.52Å; L308-L315 WeakPolarHBondContact O-CA 3.31Å; L308-V316 HydrophobicContact CB-CG1 3.97Å; L308-V316 PolarHBondContact N-O 3.07Å; L308-V316 PolarHBondContact O-N 2.8Å; L308-L318 HydrophobicContact CD1-CB 4.05Å; L308-L318 HydrophobicContact CD1-CD2 4.03Å; L308-L318 HydrophobicContact CG-CB 4.12Å; L308-L318 HydrophobicContact CG-CD2 4.48Å; L308-I336 HydrophobicContact CD2-CD1 4.33Å; L308-I338 HydrophobicContact CD1-CD1 4.17Å
309V93.5Very high90Very high0 Ų041.3 Ų41.30%020%0.196CC..EExtended strand (participates in β ladder)trans-129.2151.7176.3-590000111.1I265 G281 V282 H284 L315 W375 Y376 F385I265-V309 VanDerWaalsContact CD1-C 3.48Å; G281-V309 CarbonylContact C-O 3.52Å; G281-V309 WeakPolarHBondContact CA-O 2.78Å; V282-V309 HydrophobicContact CB-CG2 4.15Å; V282-V309 PolarHBondContact N-O 3.39Å; V282-V309 PolarHBondContact O-N 3.1Å; H284-V309 HydrophobicContact CB-CB 4.49Å; H284-V309 HydrophobicContact CB-CG1 3.73Å; H284-V309 HydrophobicContact CB-CG2 3.93Å; V309-L315 HydrophobicContact CG1-CB 3.99Å; V309-L315 HydrophobicContact CG1-CD1 4.11Å; V309-L315 HydrophobicContact CG1-CG 4.12Å; V309-W375 HydrophobicContact CG2-CZ3 4.38Å; V309-Y376 HydrophobicContact CG2-CD2 3.96Å; V309-Y376 HydrophobicContact CG2-CE2 3.85Å; V309-F385 HydrophobicContact CB-CD1 3.99Å; V309-F385 HydrophobicContact CB-CE1 3.75Å; V309-F385 HydrophobicContact CB-CE2 4.26Å; V309-F385 HydrophobicContact CB-CG 4.35Å; V309-F385 HydrophobicContact CB-CZ 3.86Å; V309-F385 HydrophobicContact CG1-CB 4.35Å; V309-F385 HydrophobicContact CG1-CD1 3.78Å; V309-F385 HydrophobicContact CG1-CD2 3.65Å; V309-F385 HydrophobicContact CG1-CE1 3.92Å; V309-F385 HydrophobicContact CG1-CE2 3.77Å; V309-F385 HydrophobicContact CG1-CG 3.64Å; V309-F385 HydrophobicContact CG1-CZ 3.88Å; V309-F385 HydrophobicContact CG2-CE1 4.12Å; V309-F385 HydrophobicContact CG2-CE2 4.24Å; V309-F385 HydrophobicContact CG2-CZ 3.78Å
310D93.5Very high90.9Very high7 Ų734.7 Ų34.74%0.03717%0.171CC..  trans-138.9-176.2173.278.7-12.3000110.6S264 I265 S312 N313 L372 W375S264-D310 VanDerWaalsContact CA-OD2 3.3Å; S264-D310 WeakPolarHBondContact CA-OD2 3.28Å; S264-D310 WeakPolarHBondContact CB-OD2 3.31Å; S264-D310 PolarHBondContact OG-OD2 2.95Å; I265-D310 HydrophobicContact CD1-CB 3.75Å; I265-D310 HydrophobicContact CG1-CB 4Å; I265-D310 PolarHBondContact N-OD2 2.87Å; D310-S312 PolarHBondContact O-N 2.92Å; D310-S312 WeakPolarHBondContact OD1-CA 3.24Å; D310-S312 VanDerWaalsContact OD1-CB 3.24Å; D310-S312 WeakPolarHBondContact OD1-CB 3.48Å; D310-S312 PolarHBondContact OD1-N 2.77Å; D310-S312 PolarHBondContact OD1-OG 2.84Å; D310-N313 PolarHBondContact O-N 2.73Å; D310-L372 HydrophobicContact CB-CD1 4Å; D310-L372 HydrophobicContact CB-CD2 4.17Å; D310-W375 VanDerWaalsContact C-CZ3 3.44Å; D310-W375 WeakPolarHBondContact O-CH2 3.12Å; D310-W375 WeakPolarHBondContact O-CZ2 3.28Å
311S89.9Confident91.3Very high63 Ų6332.5 Ų32.544%0.44116%0.157SC..THydrogen-bonded Turntrans-63.7-2.5179.4600000115.1N313S311-N313 VanDerWaalsContact C-N 3.26Å
312S88.9Confident91.5Very high39 Ų3931 Ų3127%0.27316%0.157SC..THydrogen-bonded Turntrans-82-317169.90000113.7S264 G266 D310 C314S264-S312 WeakPolarHBondContact OG-CB 3.43Å; G266-S312 PolarHBondContact N-OG 3.31Å; D310-S312 PolarHBondContact O-N 2.92Å; D310-S312 WeakPolarHBondContact OD1-CA 3.24Å; D310-S312 VanDerWaalsContact OD1-CB 3.24Å; D310-S312 WeakPolarHBondContact OD1-CB 3.48Å; D310-S312 PolarHBondContact OD1-N 2.77Å; D310-S312 PolarHBondContact OD1-OG 2.84Å; S312-C314 PolarHBondContact O-N 3.24Å
313N84.5Confident91.3Very high67 Ų6730.8 Ų30.836%0.35816%0.16SC..  trans59.826.9-174.7-61.2-47.2000113.8D310 S311 F385 E386D310-N313 PolarHBondContact O-N 2.73Å; S311-N313 VanDerWaalsContact C-N 3.26Å; N313-F385 HydrophobicContact CB-CD1 4.46Å; N313-F385 CarbonylContact O-C 3.54Å; N313-F385 VanDerWaalsContact O-CA 3.3Å; N313-F385 WeakPolarHBondContact O-CA 3.35Å; N313-E386 PolarHBondContact O-N 2.82Å
314C86.7Confident91.1Very high16 Ų1632.7 Ų32.711%0.10817%0.169CC..EExtended strand (participates in β ladder)trans-106.2141.9173.1-62.70000111.3I265 G266 S312 E386 F388I265-C314 HydrophobicContact CB-CB 4.43Å; I265-C314 HydrophobicContact CG2-CB 3.83Å; G266-C314 WeakPolarHBondContact CA-SG 3.46Å; S312-C314 PolarHBondContact O-N 3.24Å; C314-E386 CarbonylContact C-O 3.31Å; C314-E386 VanDerWaalsContact CA-O 3.27Å; C314-E386 WeakPolarHBondContact CA-O 3.43Å; C314-F388 HydrophobicContact CB-CE2 4.41Å; C314-F388 HydrophobicContact CB-CZ 4.5Å
315L89.3Confident90.9Very high9 Ų931 Ų315%0.04716%0.163CC..EExtended strand (participates in β ladder)trans-104.7124.3171.7-175152000110.1E285 L308 V309 F385 E386 T387E285-L315 HydrophobicContact CG-CD1 4.45Å; L308-L315 WeakPolarHBondContact O-CA 3.31Å; V309-L315 HydrophobicContact CG1-CB 3.99Å; V309-L315 HydrophobicContact CG1-CD1 4.11Å; V309-L315 HydrophobicContact CG1-CG 4.12Å; L315-F385 HydrophobicContact CB-CB 3.78Å; L315-E386 PolarHBondContact N-O 3.29Å; L315-T387 HydrophobicContact CB-CG2 4.2Å; L315-T387 HydrophobicContact CD2-CG2 4.14Å
316V93.4Very high90.8Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-116.3142.1172.668.10000111I265 L268 L308 L351 F388I265-V316 HydrophobicContact CD1-CG1 4.06Å; I265-V316 HydrophobicContact CG1-CG1 4.23Å; I265-V316 HydrophobicContact CG2-CB 3.72Å; I265-V316 HydrophobicContact CG2-CG1 3.63Å; L268-V316 HydrophobicContact CD1-CB 4.05Å; L268-V316 HydrophobicContact CD1-CG1 4.15Å; L268-V316 HydrophobicContact CD1-CG2 3.72Å; L308-V316 HydrophobicContact CB-CG1 3.97Å; L308-V316 PolarHBondContact N-O 3.07Å; L308-V316 PolarHBondContact O-N 2.8Å; V316-L351 HydrophobicContact CG1-CD1 3.79Å; V316-L351 HydrophobicContact CG1-CG 4.45Å; V316-L351 HydrophobicContact CG2-CD1 4.27Å; V316-L351 HydrophobicContact CG2-CG 4.01Å; V316-F388 HydrophobicContact CB-CD2 4.27Å; V316-F388 HydrophobicContact CB-CE2 4.02Å; V316-F388 HydrophobicContact CG2-CD2 4.33Å; V316-F388 HydrophobicContact CG2-CE2 4.3Å
317R93.7Very high90.6Very high91 Ų9138 Ų3834%0.34320%0.199SC..EExtended strand (participates in β ladder)trans-81.7126.2174.6-65.5-68.7179.3-170.6-7.2110.4E285 L306 S350 L351E285-R317 IonicContact OE1-NH2 3.66Å; E285-R317 IonicContact OE2-CZ 3.1Å; E285-R317 IonicContact OE2-NH1 3.04Å; E285-R317 PolarHBondContact OE2-NH1 3.13Å; E285-R317 IonicContact OE2-NH2 3.85Å; E285-R317 PolarHBondContact OE2-NH2 3.37Å; L306-R317 CarbonylContact O-C 3.56Å; L306-R317 WeakPolarHBondContact O-CA 3.44Å; R317-S350 CarbonylContact O-C 3.5Å; R317-S350 WeakPolarHBondContact O-CA 3.29Å; R317-L351 PolarHBondContact O-N 3.35Å
318L94.7Very high90.4Very high0 Ų038.5 Ų38.50%020%0.202CC..EExtended strand (participates in β ladder)trans-108.8130.3171.1177.575.4000110E305 L306 L308 L320 I338 L351 V353E305-L318 CarbonylContact C-O 3.47Å; E305-L318 WeakPolarHBondContact CA-O 3.28Å; L306-L318 HydrophobicContact CB-CB 4.38Å; L306-L318 HydrophobicContact CD1-CD2 4.32Å; L306-L318 PolarHBondContact N-O 2.81Å; L306-L318 PolarHBondContact O-N 2.86Å; L308-L318 HydrophobicContact CD1-CB 4.05Å; L308-L318 HydrophobicContact CD1-CD2 4.03Å; L308-L318 HydrophobicContact CG-CB 4.12Å; L308-L318 HydrophobicContact CG-CD2 4.48Å; L318-L320 HydrophobicContact CD2-CD2 3.71Å; L318-L320 HydrophobicContact CD2-CG 4.49Å; L318-L320 HydrophobicContact CG-CD2 4.25Å; L318-I338 HydrophobicContact CD1-CD1 3.51Å; L318-I338 HydrophobicContact CD2-CD1 3.4Å; L318-I338 VanDerWaalsContact CD2-CD1 3.4Å; L318-I338 HydrophobicContact CG-CD1 4.07Å; L318-L351 CarbonylContact C-O 3.51Å; L318-L351 VanDerWaalsContact CA-O 3.31Å; L318-L351 WeakPolarHBondContact CA-O 3.16Å; L318-L351 HydrophobicContact CB-CB 4.44Å; L318-L351 HydrophobicContact CD1-CB 3.48Å; L318-L351 VanDerWaalsContact CD1-CB 3.48Å; L318-V353 HydrophobicContact CD1-CG2 3.88Å; L318-V353 HydrophobicContact CD2-CG2 4.2Å; L318-V353 HydrophobicContact CG-CG2 4.27Å
319T94.1Very high90.1Very high23 Ų2343.4 Ų43.414%0.14123%0.231CC..EExtended strand (participates in β ladder)trans-98.6120.8171.8-49.80000110.8K303 W321 L351 V353K303-T319 HydrophobicContact CB-CG2 4.3Å; T319-W321 HydrophobicContact CG2-CD2 4.28Å; T319-W321 HydrophobicContact CG2-CH2 4.46Å; T319-W321 HydrophobicContact CG2-CZ2 3.66Å; T319-L351 PolarHBondContact N-O 3.46Å; T319-V353 PolarHBondContact O-N 3.23Å
320L93.3Very high89.6Confident0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-92.9153166.4-58.1-171.2000110.1K303 R304 L306 L318 E324 A325 F328 V353 L359K303-L320 VanDerWaalsContact CA-O 3.29Å; K303-L320 WeakPolarHBondContact CA-O 3.19Å; R304-L320 PolarHBondContact N-O 3.17Å; R304-L320 PolarHBondContact O-N 2.74Å; L306-L320 HydrophobicContact CD1-CD1 3.63Å; L306-L320 HydrophobicContact CD1-CG 4.01Å; L306-L320 HydrophobicContact CG-CD1 4.19Å; L306-L320 HydrophobicContact CG-CG 4.29Å; L318-L320 HydrophobicContact CD2-CD2 3.71Å; L318-L320 HydrophobicContact CD2-CG 4.49Å; L318-L320 HydrophobicContact CG-CD2 4.25Å; L320-E324 WeakPolarHBondContact CD1-O 3.28Å; L320-A325 HydrophobicContact CB-CB 4.05Å; L320-F328 HydrophobicContact CD1-CB 3.87Å; L320-F328 HydrophobicContact CD1-CD1 4.35Å; L320-F328 HydrophobicContact CD1-CD2 3.94Å; L320-F328 HydrophobicContact CD1-CG 3.78Å; L320-V353 HydrophobicContact CD2-CB 4.27Å; L320-V353 HydrophobicContact CD2-CG2 3.42Å; L320-V353 VanDerWaalsContact CD2-CG2 3.42Å; L320-L359 HydrophobicContact CD2-CD2 4.05Å
321W90.6Very high88.9Confident87 Ų8747.9 Ų47.933%0.3327%0.271SS..EExtended strand (participates in β ladder)trans-132148.4-176.5-61.592.1000112I292 L301 R302 K303 T319 E324 A325 S352I292-W321 HydrophobicContact CD1-CH2 3.82Å; I292-W321 HydrophobicContact CD1-CZ3 3.47Å; I292-W321 VanDerWaalsContact CD1-CZ3 3.47Å; I292-W321 HydrophobicContact CG1-CZ3 4.37Å; L301-W321 HydrophobicContact CB-CE3 4.44Å; L301-W321 HydrophobicContact CB-CZ3 4.4Å; L301-W321 HydrophobicContact CD1-CE3 4.43Å; L301-W321 HydrophobicContact CD1-CZ3 4.12Å; R302-W321 CarbonylContact O-C 3.52Å; R302-W321 WeakPolarHBondContact O-CA 3.43Å; K303-W321 HydrophobicContact CB-CE3 4.05Å; K303-W321 HydrophobicContact CB-CZ3 4.14Å; T319-W321 HydrophobicContact CG2-CD2 4.28Å; T319-W321 HydrophobicContact CG2-CH2 4.46Å; T319-W321 HydrophobicContact CG2-CZ2 3.66Å; W321-E324 PolarHBondContact O-N 3.39Å; W321-A325 PolarHBondContact O-N 2.81Å; W321-S352 PolarHBondContact NE1-OG 2.94Å
322G87Confident88.6Confident32 Ų3249.2 Ų49.233%0.3328%0.28SS..Hα-helixtrans60.4-134.7172.700000113.5R302 E324 A325 E326R302-G322 PolarHBondContact O-N 2.98Å; G322-E324 VanDerWaalsContact C-N 3.28Å; G322-E324 PolarHBondContact O-N 2.88Å; G322-A325 WeakPolarHBondContact O-CA 3.37Å; G322-A325 VanDerWaalsContact O-CB 3.3Å; G322-A325 WeakPolarHBondContact O-CB 3.49Å; G322-A325 PolarHBondContact O-N 3.42Å; G322-E326 PolarHBondContact O-N 3.47Å
323E85.3Confident88.6Confident98 Ų9850.4 Ų50.446%0.45828%0.281SS..Hα-helixtrans-61.1-34.3-179.7-67.5-178.3176.800112.9A325 E326 N327E323-A325 PolarHBondContact O-N 3.06Å; E323-E326 PolarHBondContact O-N 2.84Å; E323-N327 VanDerWaalsContact O-CB 3.31Å; E323-N327 WeakPolarHBondContact O-CB 3.45Å; E323-N327 PolarHBondContact O-N 3.14Å; E323-N327 PolarHBondContact O-ND2 3.27Å
324E86.4Confident89.1Confident59 Ų5947.5 Ų47.528%0.27627%0.266SS..Hα-helixtrans-63.3-34.9174.2-64.3172.4176.700110.6L320 W321 G322 F328 V353 L359L320-E324 WeakPolarHBondContact CD1-O 3.28Å; W321-E324 PolarHBondContact O-N 3.39Å; G322-E324 VanDerWaalsContact C-N 3.28Å; G322-E324 PolarHBondContact O-N 2.88Å; E324-F328 WeakPolarHBondContact O-CB 3.41Å; E324-V353 VanDerWaalsContact OE2-CG1 3.23Å; E324-V353 WeakPolarHBondContact OE2-CG1 3.1Å; E324-L359 HydrophobicContact CB-CD2 4.49Å
325A90.5Very high89.5Confident0 Ų047 Ų470%026%0.262CS..Hα-helixtrans-71.4-39.9174.100000112R304 L320 W321 G322 E323R304-A325 HydrophobicContact CB-CB 3.7Å; R304-A325 WeakPolarHBondContact CD-O 3.35Å; R304-A325 PolarHBondContact NE-O 3.27Å; R304-A325 VanDerWaalsContact NE-O 3.16Å; R304-A325 PolarHBondContact NH1-O 2.84Å; L320-A325 HydrophobicContact CB-CB 4.05Å; W321-A325 PolarHBondContact O-N 2.81Å; G322-A325 WeakPolarHBondContact O-CA 3.37Å; G322-A325 VanDerWaalsContact O-CB 3.3Å; G322-A325 WeakPolarHBondContact O-CB 3.49Å; G322-A325 PolarHBondContact O-N 3.42Å; E323-A325 PolarHBondContact O-N 3.06Å
326E90.1Very high89.7Confident86 Ų8646.6 Ų46.640%0.40226%0.26SS..Hα-helixtrans-74.8-48.2-176.2-69.5179.3151.100112.7V289 R302 R304 G322 E323 F328V289-E326 HydrophobicContact CG1-CG 4.25Å; R302-E326 HydrophobicContact CB-CG 4.14Å; R302-E326 VanDerWaalsContact CD-OE1 3.28Å; R302-E326 WeakPolarHBondContact CD-OE1 3.4Å; R302-E326 HydrophobicContact CG-CG 4.22Å; R302-E326 WeakPolarHBondContact CG-OE1 3.23Å; R302-E326 IonicContact NE-OE1 3.08Å; R302-E326 PolarHBondContact NE-OE1 2.81Å; R302-E326 VanDerWaalsContact NE-OE1 3.1Å; R304-E326 PolarHBondContact NH1-O 2.93Å; G322-E326 PolarHBondContact O-N 3.47Å; E323-E326 PolarHBondContact O-N 2.84Å; E326-F328 VanDerWaalsContact C-N 3.33Å; E326-F328 PolarHBondContact O-N 3.09Å
327N89.5Confident89.7Confident120 Ų12046.6 Ų46.664%0.64226%0.26SS*.Hα-helixtrans-84.5-5.5-172.2-63.9-31.7000113.8E323 V329E323-N327 VanDerWaalsContact O-CB 3.31Å; E323-N327 WeakPolarHBondContact O-CB 3.45Å; E323-N327 PolarHBondContact O-N 3.14Å; E323-N327 PolarHBondContact O-ND2 3.27Å; N327-V329 PolarHBondContact O-N 3.3Å
328F89.9Confident89.6Confident11 Ų1142.2 Ų42.25%0.04824%0.244CC..  trans-67.1133.5-179.6-177.6-95.2000111.7V283 R304 L306 L320 E324 E326 G330 P334 I336 I361V283-F328 HydrophobicContact CG1-CE1 4.27Å; V283-F328 HydrophobicContact CG1-CZ 4.34Å; V283-F328 HydrophobicContact CG2-CZ 3.9Å; R304-F328 PolarHBondContact NH1-O 3.27Å; L306-F328 HydrophobicContact CD1-CD1 3.99Å; L306-F328 HydrophobicContact CD1-CD2 4.43Å; L306-F328 HydrophobicContact CD1-CE1 3.58Å; L306-F328 HydrophobicContact CD1-CE2 4.1Å; L306-F328 HydrophobicContact CD1-CG 4.41Å; L306-F328 HydrophobicContact CD1-CZ 3.68Å; L306-F328 HydrophobicContact CD2-CD1 3.82Å; L306-F328 HydrophobicContact CD2-CE1 3.64Å; L306-F328 HydrophobicContact CG-CE1 4.3Å; L320-F328 HydrophobicContact CD1-CB 3.87Å; L320-F328 HydrophobicContact CD1-CD1 4.35Å; L320-F328 HydrophobicContact CD1-CD2 3.94Å; L320-F328 HydrophobicContact CD1-CG 3.78Å; E324-F328 WeakPolarHBondContact O-CB 3.41Å; E326-F328 VanDerWaalsContact C-N 3.33Å; E326-F328 PolarHBondContact O-N 3.09Å; F328-G330 VanDerWaalsContact CE1-CA 3.43Å; F328-P334 HydrophobicContact CE2-CG 4.25Å; F328-P334 HydrophobicContact CZ-CG 3.7Å; F328-I336 HydrophobicContact CE2-CD1 3.49Å; F328-I336 VanDerWaalsContact CE2-CD1 3.49Å; F328-I336 HydrophobicContact CE2-CG1 4.22Å; F328-I336 HydrophobicContact CZ-CD1 3.71Å; F328-I336 HydrophobicContact CZ-CG1 4.49Å; F328-I361 HydrophobicContact CD2-CD1 3.82Å; F328-I361 HydrophobicContact CE2-CD1 4.03Å; F328-I361 HydrophobicContact CE2-CG1 4.35Å
329V88.2Confident89.3Confident103 Ų10344 Ų4462%0.62425%0.251SS*.  trans-115.7101.1177.9-177.60000108.4N327N327-V329 PolarHBondContact O-N 3.3Å
330G81.6Confident89Confident11 Ų1143.8 Ų43.811%0.11325%0.252CS..  trans-89.7-7.6-175.900000115.7F328 S332 H333F328-G330 VanDerWaalsContact CE1-CA 3.43Å; G330-S332 PolarHBondContact O-N 2.94Å; G330-S332 VanDerWaalsContact O-N 3.11Å; G330-H333 PolarHBondContact O-N 3Å; G330-H333 VanDerWaalsContact O-N 3.09Å
331A79.1Confident88.9Confident91 Ų9143.8 Ų43.875%0.75225%0.252SS*.THydrogen-bonded Turntrans-60.7-27.6-167.500000114.5
332S84.2Confident88.9Confident91 Ų9144.3 Ų44.364%0.63626%0.257SS*.THydrogen-bonded Turntrans-92.610.9-178.7550000114.2G330G330-S332 PolarHBondContact O-N 2.94Å; G330-S332 VanDerWaalsContact O-N 3.11Å
333H89.4Confident89.1Confident63 Ų6342.9 Ų42.929%0.29224%0.241SC..  trans48.756.2-172.4-51.886.7000112V282 V283 G330 Y376V282-H333 HydrophobicContact CG1-CB 4.13Å; V282-H333 VanDerWaalsContact CG1-O 3.28Å; V282-H333 WeakPolarHBondContact CG1-O 3.49Å; V283-H333 WeakPolarHBondContact O-CA 3.41Å; V283-H333 WeakPolarHBondContact O-CB 3.34Å; V283-H333 PolarHBondContact O-CD2 3.04Å; V283-H333 VanDerWaalsContact O-CD2 3.26Å; G330-H333 PolarHBondContact O-N 3Å; G330-H333 VanDerWaalsContact O-N 3.09Å; H333-Y376 HydrophobicContact CB-CD1 4.35Å; H333-Y376 HydrophobicContact CB-CE1 3.62Å; H333-Y376 AromaticContact CD2-CE1 3.99Å; H333-Y376 AromaticContact CD2-CZ 3.93Å; H333-Y376 PolarHBondContact CD2-OH 3.3Å; H333-Y376 AromaticContact CG-CE1 3.78Å
334P93.9Very high89.2Confident6 Ų640.1 Ų40.14%0.03923%0.233CC..  trans-63.4147.3-175.928.8-36.6000111V283 F328 I361 S362V283-P334 HydrophobicContact CB-CG 4.37Å; V283-P334 HydrophobicContact CG2-CG 4.32Å; V283-P334 WeakPolarHBondContact CG2-O 3.46Å; V283-P334 PolarHBondContact N-O 2.91Å; F328-P334 HydrophobicContact CE2-CG 4.25Å; F328-P334 HydrophobicContact CZ-CG 3.7Å; P334-I361 HydrophobicContact CB-CG2 3.91Å; P334-I361 HydrophobicContact CG-CG2 4.42Å; P334-S362 WeakPolarHBondContact CB-OG 3.47Å
335V95.1Very high89.1Confident6 Ų641.7 Ų41.74%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-77.6128.5167.3-173.80000108.5V280 V282 S362 A369 K373V280-V335 HydrophobicContact CG2-CG1 3.88Å; V282-V335 HydrophobicContact CG2-CG2 3.96Å; V335-S362 WeakPolarHBondContact O-CA 3.39Å; V335-S362 PolarHBondContact O-N 3.06Å; V335-A369 HydrophobicContact CG1-CB 3.81Å; V335-K373 HydrophobicContact CG2-CB 3.64Å; V335-K373 HydrophobicContact CG2-CG 4.18Å
336I94.7Very high88.2Confident0 Ų047 Ų470%027%0.267CS..EExtended strand (participates in β ladder)trans-108.6135.7176.6-65.7-174.8000108.9V280 G281 V283 L306 L308 F328 I338 L359 L360V280-I336 WeakPolarHBondContact CA-O 3.3Å; G281-I336 PolarHBondContact N-O 3.42Å; G281-I336 PolarHBondContact O-N 3.4Å; V283-I336 HydrophobicContact CG2-CD1 3.27Å; V283-I336 HydrophobicContact CG2-CG1 3.64Å; L306-I336 HydrophobicContact CD1-CD1 3.73Å; L308-I336 HydrophobicContact CD2-CD1 4.33Å; F328-I336 HydrophobicContact CE2-CD1 3.49Å; F328-I336 VanDerWaalsContact CE2-CD1 3.49Å; F328-I336 HydrophobicContact CE2-CG1 4.22Å; F328-I336 HydrophobicContact CZ-CD1 3.71Å; F328-I336 HydrophobicContact CZ-CG1 4.49Å; I336-I338 HydrophobicContact CG2-CD1 4.05Å; I336-I338 HydrophobicContact CG2-CG1 3.54Å; I336-L359 HydrophobicContact CD1-CD1 4.46Å; I336-L359 HydrophobicContact CG2-CD1 3.21Å; I336-L359 HydrophobicContact CG2-CG 4.37Å; I336-L360 WeakPolarHBondContact CA-O 3.43Å
337V93.2Very high87.3Confident0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-112.7127.3166.1168.90000108.5F260 F262 V280 L360 P363 I366 A369F260-V337 HydrophobicContact CD1-CG1 3.85Å; F260-V337 HydrophobicContact CE1-CG1 3.41Å; F260-V337 VanDerWaalsContact CE1-CG1 3.41Å; F260-V337 HydrophobicContact CZ-CG1 3.83Å; F262-V337 HydrophobicContact CE1-CG1 3.84Å; F262-V337 HydrophobicContact CZ-CG1 3.81Å; F262-V337 HydrophobicContact CZ-CG2 4.28Å; V280-V337 HydrophobicContact CB-CG2 4.11Å; V280-V337 HydrophobicContact CG2-CG2 3.75Å; V337-L360 HydrophobicContact CB-CB 4.22Å; V337-L360 HydrophobicContact CG1-CD1 4.43Å; V337-L360 PolarHBondContact N-O 2.97Å; V337-L360 PolarHBondContact O-N 3.43Å; V337-P363 HydrophobicContact CB-CG 4.21Å; V337-P363 HydrophobicContact CG2-CG 3.74Å; V337-I366 HydrophobicContact CB-CD1 4.22Å; V337-I366 HydrophobicContact CG1-CD1 3.9Å; V337-I366 HydrophobicContact CG2-CD1 4Å; V337-I366 HydrophobicContact CG2-CG2 4.43Å; V337-A369 HydrophobicContact CG2-CB 3.98Å
338I91.7Very high86.7Confident0 Ų043.2 Ų43.20%025%0.252CS..EExtended strand (participates in β ladder)trans-121120.6179.5-40.9-179.9000108.7D278 I279 L308 L318 I336 A341 V353 S358 L359D278-I338 CarbonylContact C-O 3.56Å; D278-I338 VanDerWaalsContact CA-O 3.31Å; D278-I338 WeakPolarHBondContact CA-O 3.38Å; I279-I338 PolarHBondContact N-O 2.78Å; I279-I338 PolarHBondContact O-N 2.73Å; L308-I338 HydrophobicContact CD1-CD1 4.17Å; L318-I338 HydrophobicContact CD1-CD1 3.51Å; L318-I338 HydrophobicContact CD2-CD1 3.4Å; L318-I338 VanDerWaalsContact CD2-CD1 3.4Å; L318-I338 HydrophobicContact CG-CD1 4.07Å; I336-I338 HydrophobicContact CG2-CD1 4.05Å; I336-I338 HydrophobicContact CG2-CG1 3.54Å; I338-A341 HydrophobicContact CB-CB 4.18Å; I338-A341 HydrophobicContact CG2-CB 3.73Å; I338-V353 HydrophobicContact CD1-CG2 4.46Å; I338-S358 CarbonylContact C-O 3.54Å; I338-S358 VanDerWaalsContact CA-O 3.28Å; I338-S358 WeakPolarHBondContact CA-O 3.5Å; I338-L359 HydrophobicContact CD1-CD1 4.24Å; I338-L359 HydrophobicContact CG1-CD1 3.85Å
339K87.6Confident86.5Confident37 Ų3744.8 Ų44.816%0.16126%0.258CS..EExtended strand (participates in β ladder)trans-88.8132166.2-161.9167.8179.665.50109.4T258 H259 F260 D278 S357 S358T258-K339 HydrophobicContact CG2-CD 3.88Å; H259-K339 PolarHBondContact O-NZ 3.41Å; F260-K339 HydrophobicContact CD1-CB 4.42Å; F260-K339 HydrophobicContact CE1-CB 3.98Å; F260-K339 HydrophobicContact CE1-CD 4.35Å; F260-K339 HydrophobicContact CE1-CG 4.38Å; D278-K339 WeakPolarHBondContact OD1-CA 3.33Å; D278-K339 VanDerWaalsContact OD1-CG 3.3Å; D278-K339 WeakPolarHBondContact OD1-CG 3.19Å; D278-K339 IonicContact OD2-NZ 2.81Å; D278-K339 PolarHBondContact OD2-NZ 3.26Å; D278-K339 VanDerWaalsContact OD2-NZ 3.08Å; K339-S357 CarbonylContact O-C 3.55Å; K339-S357 WeakPolarHBondContact O-CA 3.42Å; K339-S358 PolarHBondContact N-O 2.81Å; K339-S358 PolarHBondContact O-N 2.82Å
340A87Confident86.7Confident19 Ų1940.3 Ų40.316%0.15723%0.231CC..EExtended strand (participates in β ladder)trans53.152178.700000113.9F276 V277 D278 S357F276-A340 HydrophobicContact CB-CB 4.08Å; F276-A340 HydrophobicContact CD1-CB 4.34Å; F276-A340 WeakPolarHBondContact CD1-O 3.49Å; V277-A340 CarbonylContact O-C 3.5Å; V277-A340 WeakPolarHBondContact O-CA 3.2Å; V277-A340 PolarHBondContact O-N 2.83Å; D278-A340 PolarHBondContact OD1-N 2.79Å; A340-S357 WeakPolarHBondContact O-CB 3.16Å; A340-S357 PolarHBondContact O-OG 3.35Å
341A91.4Very high87.3Confident0 Ų039.9 Ų39.90%023%0.226CC..EExtended strand (participates in β ladder)trans-67.1133.4167.200000110.2F276 V277 I338 L351F276-A341 CarbonylContact C-O 3.51Å; F276-A341 VanDerWaalsContact CA-O 3.28Å; F276-A341 WeakPolarHBondContact CA-O 3.42Å; V277-A341 HydrophobicContact CG2-CB 4.47Å; V277-A341 PolarHBondContact N-O 2.71Å; V277-A341 PolarHBondContact O-N 3.1Å; I338-A341 HydrophobicContact CB-CB 4.18Å; I338-A341 HydrophobicContact CG2-CB 3.73Å; A341-L351 HydrophobicContact CB-CD2 4.28Å
342K91.9Very high88Confident97 Ų9736.8 Ų36.842%0.42220%0.199SC..EExtended strand (participates in β ladder)trans-80.9126.7179.7-173.8179.9179.5-179.20110.4F276 L351 S352F276-K342 HydrophobicContact CD1-CB 4.02Å; F276-K342 HydrophobicContact CE1-CB 3.84Å; F276-K342 HydrophobicContact CE1-CD 4.49Å; F276-K342 HydrophobicContact CE1-CG 4.15Å; K342-L351 CarbonylContact O-C 3.58Å; K342-L351 WeakPolarHBondContact O-CA 3.4Å; K342-S352 PolarHBondContact N-O 3.39Å; K342-S352 PolarHBondContact O-N 3.05Å
343I90.9Very high88.3Confident2 Ų232.7 Ų32.71%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-80.9137.8175.4-63.8-177.1000110.8L268 Q271 G274 S275 V277 L351L268-I343 HydrophobicContact CD2-CD1 3.69Å; L268-I343 HydrophobicContact CD2-CG1 4.26Å; Q271-I343 HydrophobicContact CB-CD1 3.34Å; Q271-I343 HydrophobicContact CG-CD1 3.98Å; G274-I343 WeakPolarHBondContact CA-O 3.42Å; G274-I343 PolarHBondContact N-O 3Å; S275-I343 PolarHBondContact O-N 3.36Å; V277-I343 HydrophobicContact CB-CD1 4.23Å; V277-I343 HydrophobicContact CG1-CD1 3.43Å; V277-I343 VanDerWaalsContact CG1-CD1 3.43Å; V277-I343 HydrophobicContact CG1-CG1 4.17Å; V277-I343 HydrophobicContact CG2-CD1 3.72Å; V277-I343 HydrophobicContact CG2-CG1 3.75Å; I343-L351 HydrophobicContact CG1-CD2 3.87Å
344S87.6Confident88Confident41 Ų4130.6 Ų30.629%0.28716%0.163SC..EExtended strand (participates in β ladder)trans-126.7152.9167.9178.90000110.2F346 R349 S350S344-F346 VanDerWaalsContact C-N 3.3Å; S344-F346 WeakPolarHBondContact OG-CB 3.45Å; S344-F346 PolarHBondContact OG-N 3.04Å; S344-R349 WeakPolarHBondContact O-CA 3.34Å; S344-S350 PolarHBondContact N-O 3.4Å; S344-S350 PolarHBondContact O-N 3.13Å
345D83.9Confident87.1Confident92 Ų9234 Ų3449%0.49218%0.184SC..  trans-88.36.8172.556.2-18.7000113.4P273 N347 G348P273-D345 HydrophobicContact CB-CB 4.18Å; P273-D345 HydrophobicContact CG-CB 3.89Å; D345-N347 PolarHBondContact O-N 2.82Å; D345-G348 CarbonylContact C-O 3.59Å; D345-G348 VanDerWaalsContact CA-O 3.25Å; D345-G348 WeakPolarHBondContact CA-O 3.32Å; D345-G348 PolarHBondContact O-N 2.76Å
346F71.4Confident86Confident112 Ų11234.7 Ų34.749%0.49119%0.189SC..THydrogen-bonded Turntrans-65124.5177.8-178-100.5000110.6S344 G348 S350S344-F346 VanDerWaalsContact C-N 3.3Å; S344-F346 WeakPolarHBondContact OG-CB 3.45Å; S344-F346 PolarHBondContact OG-N 3.04Å; F346-G348 VanDerWaalsContact C-N 3.33Å; F346-G348 PolarHBondContact O-N 3.35Å; F346-S350 PolarHBondContact O-OG 3.43Å; F346-S350 VanDerWaalsContact O-OG 3.07Å
347N71Confident85.5Confident113 Ų11335.2 Ų35.260%0.60419%0.193SC*.THydrogen-bonded Turntrans50.946.6-172-71.8-9.2000113.4D345 R349D345-N347 PolarHBondContact O-N 2.82Å; N347-R349 PolarHBondContact O-N 2.91Å
348G77.5Confident85Confident13 Ų1335.7 Ų35.713%0.13420%0.196CC..SBendtrans94.5-85.2-178.800000110.6D345 F346D345-G348 CarbonylContact C-O 3.59Å; D345-G348 VanDerWaalsContact CA-O 3.25Å; D345-G348 WeakPolarHBondContact CA-O 3.32Å; D345-G348 PolarHBondContact O-N 2.76Å; F346-G348 VanDerWaalsContact C-N 3.33Å; F346-G348 PolarHBondContact O-N 3.35Å
349R85.9Confident84.9Confident44 Ų4437.2 Ų37.217%0.16620%0.204CC..SBendtrans-136.8135.8170.8-69.1-70-176.7-104.5-0.7110.4L268 D269 Q271 S344 N347 F388L268-R349 HydrophobicContact CB-CB 4.37Å; L268-R349 HydrophobicContact CB-CG 4.31Å; L268-R349 PolarHBondContact O-NE 2.92Å; D269-R349 PolarHBondContact O-NH2 3.04Å; D269-R349 WeakPolarHBondContact OD1-CG 3.23Å; D269-R349 IonicContact OD1-NE 2.72Å; Q271-R349 PolarHBondContact O-NH2 2.64Å; S344-R349 WeakPolarHBondContact O-CA 3.34Å; N347-R349 PolarHBondContact O-N 2.91Å; R349-F388 HydrophobicContact CB-CB 4.12Å; R349-F388 HydrophobicContact CB-CD1 3.77Å; R349-F388 HydrophobicContact CB-CD2 3.96Å; R349-F388 HydrophobicContact CB-CE1 4.24Å; R349-F388 HydrophobicContact CB-CE2 4.41Å; R349-F388 HydrophobicContact CB-CG 3.64Å; R349-F388 HydrophobicContact CG-CD1 3.82Å; R349-F388 HydrophobicContact CG-CE1 4.2Å; R349-F388 HydrophobicContact CG-CG 4.21Å
350S91.9Very high84.9Confident9 Ų937.2 Ų37.26%0.06321%0.205CC..EExtended strand (participates in β ladder)trans-142.7160.4173.148.90000110.5R317 S344 F346R317-S350 CarbonylContact O-C 3.5Å; R317-S350 WeakPolarHBondContact O-CA 3.29Å; S344-S350 PolarHBondContact N-O 3.4Å; S344-S350 PolarHBondContact O-N 3.13Å; F346-S350 PolarHBondContact O-OG 3.43Å; F346-S350 VanDerWaalsContact O-OG 3.07Å
351L94.1Very high85.1Confident1 Ų140.5 Ų40.51%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-115.5147.6179.2-59.9172000109.1L268 V277 I279 V316 R317 L318 T319 A341 K342 I343L268-L351 HydrophobicContact CD1-CD1 4.36Å; L268-L351 HydrophobicContact CD1-CD2 4.29Å; L268-L351 HydrophobicContact CD1-CG 4.39Å; L268-L351 HydrophobicContact CD2-CD2 4.19Å; V277-L351 HydrophobicContact CG2-CD2 4.15Å; I279-L351 HydrophobicContact CD1-CD1 3.72Å; I279-L351 HydrophobicContact CD1-CD2 4.32Å; I279-L351 HydrophobicContact CG2-CD1 4.31Å; V316-L351 HydrophobicContact CG1-CD1 3.79Å; V316-L351 HydrophobicContact CG1-CG 4.45Å; V316-L351 HydrophobicContact CG2-CD1 4.27Å; V316-L351 HydrophobicContact CG2-CG 4.01Å; R317-L351 PolarHBondContact O-N 3.35Å; L318-L351 CarbonylContact C-O 3.51Å; L318-L351 VanDerWaalsContact CA-O 3.31Å; L318-L351 WeakPolarHBondContact CA-O 3.16Å; L318-L351 HydrophobicContact CB-CB 4.44Å; L318-L351 HydrophobicContact CD1-CB 3.48Å; L318-L351 VanDerWaalsContact CD1-CB 3.48Å; T319-L351 PolarHBondContact N-O 3.46Å; A341-L351 HydrophobicContact CB-CD2 4.28Å; K342-L351 CarbonylContact O-C 3.58Å; K342-L351 WeakPolarHBondContact O-CA 3.4Å; I343-L351 HydrophobicContact CG1-CD2 3.87Å
352S93.4Very high85.1Confident26 Ų2643.3 Ų43.318%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-130.6133.4168.9-178.60000109.2W321 K342W321-S352 PolarHBondContact NE1-OG 2.94Å; K342-S352 PolarHBondContact N-O 3.39Å; K342-S352 PolarHBondContact O-N 3.05Å
353V91Very high84.9Confident5 Ų539.6 Ų39.63%0.0323%0.225CC..  trans-69.4135.2163.5-172.20000107.6L318 T319 L320 E324 I338L318-V353 HydrophobicContact CD1-CG2 3.88Å; L318-V353 HydrophobicContact CD2-CG2 4.2Å; L318-V353 HydrophobicContact CG-CG2 4.27Å; T319-V353 PolarHBondContact O-N 3.23Å; L320-V353 HydrophobicContact CD2-CB 4.27Å; L320-V353 HydrophobicContact CD2-CG2 3.42Å; L320-V353 VanDerWaalsContact CD2-CG2 3.42Å; E324-V353 VanDerWaalsContact OE2-CG1 3.23Å; E324-V353 WeakPolarHBondContact OE2-CG1 3.1Å; I338-V353 HydrophobicContact CD1-CG2 4.46Å
354S83.2Confident84.7Confident20 Ų2045.4 Ų45.414%0.1426%0.261CS..  trans-123.8168-175.9810000109.8T356 S357S354-T356 PolarHBondContact O-N 2.82Å; S354-T356 PolarHBondContact OG-N 3.03Å; S354-T356 PolarHBondContact OG-OG1 2.96Å; S354-T356 VanDerWaalsContact OG-OG1 3.06Å; S354-S357 PolarHBondContact N-OG 2.61Å; S354-S357 WeakPolarHBondContact O-CB 2.94Å; S354-S357 PolarHBondContact O-N 2.85Å; S354-S357 PolarHBondContact O-OG 2.91Å; S354-S357 PolarHBondContact OG-OG 2.78Å
355P74.6Confident84.5Confident76 Ų7648.4 Ų48.449%0.49427%0.274SS..THydrogen-bonded Turntrans-52.4-22.7175.5-26.132.8000116R168R168-P355 VanDerWaalsContact NH2-CG 3.28Å
356T73Confident84.6Confident21 Ų2144.4 Ų44.413%0.12925%0.252CS..THydrogen-bonded Turntrans-102.4-1.8-177.159.20000112.3T229 S354T229-T356 HydrophobicContact CG2-CG2 3.63Å; S354-T356 PolarHBondContact O-N 2.82Å; S354-T356 PolarHBondContact OG-N 3.03Å; S354-T356 PolarHBondContact OG-OG1 2.96Å; S354-T356 VanDerWaalsContact OG-OG1 3.06Å
357S83.8Confident85.5Confident11 Ų1143.5 Ų43.58%0.07726%0.257CS..  trans-85.8148.4-179.9-51.60000109.8K339 A340 S354K339-S357 CarbonylContact O-C 3.55Å; K339-S357 WeakPolarHBondContact O-CA 3.42Å; A340-S357 WeakPolarHBondContact O-CB 3.16Å; A340-S357 PolarHBondContact O-OG 3.35Å; S354-S357 PolarHBondContact N-OG 2.61Å; S354-S357 WeakPolarHBondContact O-CB 2.94Å; S354-S357 PolarHBondContact O-N 2.85Å; S354-S357 PolarHBondContact O-OG 2.91Å; S354-S357 PolarHBondContact OG-OG 2.78Å
358S82.9Confident86.5Confident10 Ų1041.5 Ų41.57%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-114.9127.2171.5179.60000109.1I338 K339I338-S358 CarbonylContact C-O 3.54Å; I338-S358 VanDerWaalsContact CA-O 3.28Å; I338-S358 WeakPolarHBondContact CA-O 3.5Å; K339-S358 PolarHBondContact N-O 2.81Å; K339-S358 PolarHBondContact O-N 2.82Å
359L88.6Confident87.2Confident33 Ų3341 Ų4117%0.17324%0.239CC..EExtended strand (participates in β ladder)trans-109.3118.8-178.8-176.771.4000109.4L320 E324 I336 I338L320-L359 HydrophobicContact CD2-CD2 4.05Å; E324-L359 HydrophobicContact CB-CD2 4.49Å; I336-L359 HydrophobicContact CD1-CD1 4.46Å; I336-L359 HydrophobicContact CG2-CD1 3.21Å; I336-L359 HydrophobicContact CG2-CG 4.37Å; I338-L359 HydrophobicContact CD1-CD1 4.24Å; I338-L359 HydrophobicContact CG1-CD1 3.85Å
360L88.1Confident87.6Confident36 Ų3643.4 Ų43.419%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-112.2128.3173.1-58175.9000109.2F260 I336 V337 P363 I366F260-L360 HydrophobicContact CZ-CD1 4.04Å; I336-L360 WeakPolarHBondContact CA-O 3.43Å; V337-L360 HydrophobicContact CB-CB 4.22Å; V337-L360 HydrophobicContact CG1-CD1 4.43Å; V337-L360 PolarHBondContact N-O 2.97Å; V337-L360 PolarHBondContact O-N 3.43Å; L360-P363 HydrophobicContact CB-CB 4.43Å; L360-P363 HydrophobicContact CB-CG 4.3Å; L360-I366 HydrophobicContact CD1-CD1 3.96Å
361I91.2Very high87.7Confident88 Ų8851 Ų5145%0.45128%0.282SS..EExtended strand (participates in β ladder)trans-105121.5-179-56.2174.1000108.5F328 P334F328-I361 HydrophobicContact CD2-CD1 3.82Å; F328-I361 HydrophobicContact CE2-CD1 4.03Å; F328-I361 HydrophobicContact CE2-CG1 4.35Å; P334-I361 HydrophobicContact CB-CG2 3.91Å; P334-I361 HydrophobicContact CG-CG2 4.42Å
362S90.5Very high87.6Confident60 Ų6051.3 Ų51.342%0.4228%0.283SS..SBendtrans47.953.1-178.9-57.60000114.7P334 V335 T364P334-S362 WeakPolarHBondContact CB-OG 3.47Å; V335-S362 WeakPolarHBondContact O-CA 3.39Å; V335-S362 PolarHBondContact O-N 3.06Å; S362-T364 PolarHBondContact O-N 3.45Å
363P88.5Confident87.6Confident19 Ų1955.4 Ų55.412%0.12330%0.298CS..  trans-65.1132.317828.3-33.2000111V337 L360 I366 A369V337-P363 HydrophobicContact CB-CG 4.21Å; V337-P363 HydrophobicContact CG2-CG 3.74Å; L360-P363 HydrophobicContact CB-CB 4.43Å; L360-P363 HydrophobicContact CB-CG 4.3Å; P363-I366 HydrophobicContact CB-CB 4.47Å; P363-I366 HydrophobicContact CB-CD1 3.96Å; P363-I366 HydrophobicContact CB-CG1 4.12Å; P363-I366 HydrophobicContact CG-CB 4.32Å; P363-I366 HydrophobicContact CG-CD1 3.88Å; P363-I366 HydrophobicContact CG-CG1 4.29Å; P363-A369 HydrophobicContact CG-CB 3.87Å
364T87.8Confident87.7Confident124 Ų12456.3 Ų56.376%0.76131%0.307SS*.SBendtrans-93.9-2.6-179.853.50000113.7S362 I370S362-T364 PolarHBondContact O-N 3.45Å; T364-I370 WeakPolarHBondContact O-CD1 3.4Å
365N82.4Confident88.1Confident103 Ų10357 Ų5755%0.55131%0.307SS*.SBendtrans-111.26.4-17766.7-39.6000113.3
366I86.2Confident88.9Confident9 Ų953.9 Ų53.95%0.04629%0.286CS..  trans-111.7109.6179.2-60.6-178.9000108.6F260 F262 V337 L360 P363 E368 A369 I370F260-I366 HydrophobicContact CD2-CD1 4.28Å; F260-I366 HydrophobicContact CE2-CD1 3.61Å; F260-I366 HydrophobicContact CE2-CG1 4.42Å; F260-I366 HydrophobicContact CZ-CD1 3.89Å; F262-I366 HydrophobicContact CE2-CG2 4.08Å; F262-I366 HydrophobicContact CZ-CG2 4.17Å; V337-I366 HydrophobicContact CB-CD1 4.22Å; V337-I366 HydrophobicContact CG1-CD1 3.9Å; V337-I366 HydrophobicContact CG2-CD1 4Å; V337-I366 HydrophobicContact CG2-CG2 4.43Å; L360-I366 HydrophobicContact CD1-CD1 3.96Å; P363-I366 HydrophobicContact CB-CB 4.47Å; P363-I366 HydrophobicContact CB-CD1 3.96Å; P363-I366 HydrophobicContact CB-CG1 4.12Å; P363-I366 HydrophobicContact CG-CB 4.32Å; P363-I366 HydrophobicContact CG-CD1 3.88Å; P363-I366 HydrophobicContact CG-CG1 4.29Å; I366-E368 VanDerWaalsContact C-N 3.28Å; I366-E368 HydrophobicContact CG2-CB 4.4Å; I366-E368 PolarHBondContact O-N 2.96Å; I366-A369 HydrophobicContact CB-CB 4.04Å; I366-A369 HydrophobicContact CG2-CB 4.15Å; I366-A369 WeakPolarHBondContact O-CB 3.44Å; I366-A369 PolarHBondContact O-N 2.98Å; I366-I370 WeakPolarHBondContact O-CG1 3.4Å; I366-I370 PolarHBondContact O-N 2.79Å; I366-I370 VanDerWaalsContact O-N 3.13Å
367P90.5Very high89.6Confident92 Ų9258.4 Ų58.460%0.59731%0.305SS*.Hα-helixtrans-55-39.7-176.6-27.535.5000113.9A369 I370 R371P367-A369 VanDerWaalsContact C-N 3.31Å; P367-A369 PolarHBondContact O-N 2.81Å; P367-I370 PolarHBondContact O-N 3.16Å; P367-R371 WeakPolarHBondContact O-CB 3.48Å; P367-R371 PolarHBondContact O-N 2.64Å
368E90.6Very high89.6Confident72 Ų7265.2 Ų65.234%0.33634%0.336SS..Hα-helixtrans-63.9-37.6178.5-66.681.7175.700111.9F262 V280 I366 L372F262-E368 HydrophobicContact CD2-CB 4.13Å; F262-E368 HydrophobicContact CD2-CG 3.82Å; F262-E368 HydrophobicContact CE2-CB 4Å; F262-E368 HydrophobicContact CE2-CG 4.02Å; V280-E368 HydrophobicContact CG1-CB 4.18Å; I366-E368 VanDerWaalsContact C-N 3.28Å; I366-E368 HydrophobicContact CG2-CB 4.4Å; I366-E368 PolarHBondContact O-N 2.96Å; E368-L372 VanDerWaalsContact O-CB 3.26Å; E368-L372 WeakPolarHBondContact O-CB 3.38Å; E368-L372 PolarHBondContact O-N 3.28Å
369A93.3Very high89.4Confident2 Ų270.7 Ų70.72%0.01736%0.36CS..Hα-helixtrans-69.1-41.3177.300000111.4V280 V335 V337 P363 I366 P367 L372 K373V280-A369 HydrophobicContact CG2-CB 4.18Å; V335-A369 HydrophobicContact CG1-CB 3.81Å; V337-A369 HydrophobicContact CG2-CB 3.98Å; P363-A369 HydrophobicContact CG-CB 3.87Å; I366-A369 HydrophobicContact CB-CB 4.04Å; I366-A369 HydrophobicContact CG2-CB 4.15Å; I366-A369 WeakPolarHBondContact O-CB 3.44Å; I366-A369 PolarHBondContact O-N 2.98Å; P367-A369 VanDerWaalsContact C-N 3.31Å; P367-A369 PolarHBondContact O-N 2.81Å; A369-L372 PolarHBondContact O-N 2.93Å; A369-K373 WeakPolarHBondContact O-CB 3.36Å; A369-K373 PolarHBondContact O-N 3.44Å
370I93.6Very high88.8Confident94 Ų9469.1 Ų69.148%0.48235%0.352SS..Hα-helixtrans-62.8-47.4175.2-60167.7000110.3T364 I366 P367 L372 K373 G374T364-I370 WeakPolarHBondContact O-CD1 3.4Å; I366-I370 WeakPolarHBondContact O-CG1 3.4Å; I366-I370 PolarHBondContact O-N 2.79Å; I366-I370 VanDerWaalsContact O-N 3.13Å; P367-I370 PolarHBondContact O-N 3.16Å; I370-L372 VanDerWaalsContact C-N 3.34Å; I370-L372 PolarHBondContact O-N 3.49Å; I370-K373 WeakPolarHBondContact O-CB 3.2Å; I370-K373 PolarHBondContact O-N 3.4Å; I370-G374 PolarHBondContact O-N 2.72Å; I370-G374 VanDerWaalsContact O-N 3.09Å
371R93.9Very high88.1Confident170 Ų17074.3 Ų74.364%0.64237%0.369SS*.Hα-helixtrans-59.5-45.2177.5-176.3-176.865.7172.1-1.9111.4P367 G374 W375P367-R371 WeakPolarHBondContact O-CB 3.48Å; P367-R371 PolarHBondContact O-N 2.64Å; R371-G374 PolarHBondContact O-N 3.44Å; R371-W375 PolarHBondContact O-N 2.77Å
372L93.5Very high87.2Confident6 Ų678 Ų783%0.03138%0.382CS..Hα-helixtrans-69.1-35.1-178.1-159.973.2000112.2V280 G281 V282 D310 E368 A369 I370 W375 Y376V280-L372 HydrophobicContact CG2-CD2 4.17Å; G281-L372 VanDerWaalsContact CA-CD2 3.49Å; V282-L372 HydrophobicContact CG2-CB 4.42Å; V282-L372 HydrophobicContact CG2-CD2 3.66Å; V282-L372 HydrophobicContact CG2-CG 3.67Å; D310-L372 HydrophobicContact CB-CD1 4Å; D310-L372 HydrophobicContact CB-CD2 4.17Å; E368-L372 VanDerWaalsContact O-CB 3.26Å; E368-L372 WeakPolarHBondContact O-CB 3.38Å; E368-L372 PolarHBondContact O-N 3.28Å; A369-L372 PolarHBondContact O-N 2.93Å; I370-L372 VanDerWaalsContact C-N 3.34Å; I370-L372 PolarHBondContact O-N 3.49Å; L372-W375 HydrophobicContact CD1-CD2 4.34Å; L372-W375 HydrophobicContact CD1-CE3 3.59Å; L372-W375 HydrophobicContact CD1-CZ3 4.05Å; L372-W375 HydrophobicContact CG-CE3 4.06Å; L372-W375 HydrophobicContact CG-CZ3 4.48Å; L372-W375 PolarHBondContact O-N 2.81Å; L372-Y376 WeakPolarHBondContact O-CB 3.32Å; L372-Y376 PolarHBondContact O-N 3.02Å
373K93Very high86.2Confident113 Ų11377 Ų7749%0.49138%0.375SS..Hα-helixtrans-57.8-51.3170.9-171.8178.8172.6-175.60111.1V335 A369 I370 W375 Y376 E377V335-K373 HydrophobicContact CG2-CB 3.64Å; V335-K373 HydrophobicContact CG2-CG 4.18Å; A369-K373 WeakPolarHBondContact O-CB 3.36Å; A369-K373 PolarHBondContact O-N 3.44Å; I370-K373 WeakPolarHBondContact O-CB 3.2Å; I370-K373 PolarHBondContact O-N 3.4Å; K373-W375 PolarHBondContact O-N 3.37Å; K373-Y376 PolarHBondContact O-N 3.18Å; K373-E377 WeakPolarHBondContact CE-OE1 3.12Å; K373-E377 WeakPolarHBondContact O-CG 3.19Å; K373-E377 PolarHBondContact O-N 2.63Å
374G91.9Very high85.4Confident23 Ų2383.6 Ų83.624%0.23741%0.409CS..Hα-helixtrans-60.3-45.7177.800000112.4I370 R371 Y376 E377 H378I370-G374 PolarHBondContact O-N 2.72Å; I370-G374 VanDerWaalsContact O-N 3.09Å; R371-G374 PolarHBondContact O-N 3.44Å; G374-Y376 VanDerWaalsContact C-N 3.34Å; G374-Y376 PolarHBondContact O-N 3.08Å; G374-E377 PolarHBondContact O-N 2.97Å; G374-H378 PolarHBondContact O-CD2 2.97Å; G374-H378 PolarHBondContact O-N 3.2Å; G374-H378 VanDerWaalsContact O-N 3.08Å
375W93.1Very high85Confident36 Ų3679.2 Ų79.214%0.13638%0.38CS..Hα-helixtrans-58.1-43.6175.8166.375.9000112.6V309 D310 R371 L372 K373 H378 E379 G380 F385V309-W375 HydrophobicContact CG2-CZ3 4.38Å; D310-W375 VanDerWaalsContact C-CZ3 3.44Å; D310-W375 WeakPolarHBondContact O-CH2 3.12Å; D310-W375 WeakPolarHBondContact O-CZ2 3.28Å; R371-W375 PolarHBondContact O-N 2.77Å; L372-W375 HydrophobicContact CD1-CD2 4.34Å; L372-W375 HydrophobicContact CD1-CE3 3.59Å; L372-W375 HydrophobicContact CD1-CZ3 4.05Å; L372-W375 HydrophobicContact CG-CE3 4.06Å; L372-W375 HydrophobicContact CG-CZ3 4.48Å; L372-W375 PolarHBondContact O-N 2.81Å; K373-W375 PolarHBondContact O-N 3.37Å; W375-H378 PolarHBondContact O-N 3.22Å; W375-E379 PolarHBondContact O-N 3.34Å; W375-G380 PolarHBondContact O-N 3.39Å; W375-F385 AromaticContact CH2-CE1 3.88Å; W375-F385 HydrophobicContact CH2-CE1 3.88Å; W375-F385 HydrophobicContact CH2-CZ 4.33Å; W375-F385 HydrophobicContact CZ2-CE1 4.44Å
376Y90.3Very high84.8Confident10 Ų1081.3 Ų81.34%0.03939%0.386CS..Hα-helixtrans-68.6-38179.9-173.2-98.5000112.5V282 H284 V309 H333 L372 K373 G374 R381 F385V282-Y376 HydrophobicContact CB-CD2 4.02Å; V282-Y376 HydrophobicContact CB-CG 4.04Å; V282-Y376 HydrophobicContact CG1-CD1 3.68Å; V282-Y376 HydrophobicContact CG1-CD2 3.97Å; V282-Y376 HydrophobicContact CG1-CE1 3.98Å; V282-Y376 HydrophobicContact CG1-CE2 4.26Å; V282-Y376 HydrophobicContact CG1-CG 3.66Å; V282-Y376 HydrophobicContact CG2-CD2 4.32Å; V282-Y376 HydrophobicContact CG2-CG 4.08Å; H284-Y376 AromaticContact ND1-CE2 3.77Å; H284-Y376 AromaticContact ND1-CZ 3.75Å; H284-Y376 PolarHBondContact ND1-OH 3.44Å; V309-Y376 HydrophobicContact CG2-CD2 3.96Å; V309-Y376 HydrophobicContact CG2-CE2 3.85Å; H333-Y376 HydrophobicContact CB-CD1 4.35Å; H333-Y376 HydrophobicContact CB-CE1 3.62Å; H333-Y376 AromaticContact CD2-CE1 3.99Å; H333-Y376 AromaticContact CD2-CZ 3.93Å; H333-Y376 PolarHBondContact CD2-OH 3.3Å; H333-Y376 AromaticContact CG-CE1 3.78Å; L372-Y376 WeakPolarHBondContact O-CB 3.32Å; L372-Y376 PolarHBondContact O-N 3.02Å; K373-Y376 PolarHBondContact O-N 3.18Å; G374-Y376 VanDerWaalsContact C-N 3.34Å; G374-Y376 PolarHBondContact O-N 3.08Å; Y376-R381 HydrophobicContact CD1-CB 4.42Å; Y376-R381 HydrophobicContact CE1-CB 4.14Å; Y376-R381 HydrophobicContact CE1-CG 4.41Å; Y376-R381 VanDerWaalsContact O-CB 3.27Å; Y376-R381 WeakPolarHBondContact O-CB 3.48Å; Y376-R381 PolarHBondContact O-N 3.07Å; Y376-F385 HydrophobicContact CE2-CZ 4.47Å
377E87.8Confident84.4Confident116 Ų11684.2 Ų84.254%0.54240%0.404SS..Hα-helixtrans-67.3-33.3177.7-73.4174.2177.300113K373 G374K373-E377 WeakPolarHBondContact CE-OE1 3.12Å; K373-E377 WeakPolarHBondContact O-CG 3.19Å; K373-E377 PolarHBondContact O-N 2.63Å; G374-E377 PolarHBondContact O-N 2.97Å
378H83.8Confident83.6Confident154 Ų15481.1 Ų81.171%0.71338%0.382SS*.Hα-helixtrans-92.7-37.2-178.2-70.7-62.4000114.6G374 W375G374-H378 PolarHBondContact O-CD2 2.97Å; G374-H378 PolarHBondContact O-N 3.2Å; G374-H378 VanDerWaalsContact O-N 3.08Å; W375-H378 PolarHBondContact O-N 3.22Å
379E79.8Confident82Confident124 Ų12487.9 Ų87.958%0.57940%0.404SS*.THydrogen-bonded Turntrans-130.1-56-170.2-63.1176.1-178.300111.5W375 R381 F382 S383W375-E379 PolarHBondContact O-N 3.34Å; E379-R381 VanDerWaalsContact C-N 3.3Å; E379-R381 PolarHBondContact O-N 3.01Å; E379-R381 VanDerWaalsContact O-N 3.16Å; E379-F382 PolarHBondContact O-N 3.43Å; E379-S383 PolarHBondContact O-OG 3.05Å
380G74.5Confident79.9Confident0 Ų090 Ų900%042%0.418CS..G310 helixtrans-60.1-32.9-166.500000114.7W375 F382 S383 F385W375-G380 PolarHBondContact O-N 3.39Å; G380-F382 PolarHBondContact O-N 2.62Å; G380-F382 VanDerWaalsContact O-N 3.09Å; G380-S383 WeakPolarHBondContact O-CB 3.27Å; G380-S383 PolarHBondContact O-N 3.37Å; G380-S383 VanDerWaalsContact O-N 3.09Å; G380-F385 WeakPolarHBondContact O-CZ 3.29Å
381R74.7Confident77.1Confident145 Ų14594.6 Ų94.655%0.54744%0.438SS..G310 helixtrans-57.5-27.7-178.7-176.7175-177.71770.9113.9Y376 E379Y376-R381 HydrophobicContact CD1-CB 4.42Å; Y376-R381 HydrophobicContact CE1-CB 4.14Å; Y376-R381 HydrophobicContact CE1-CG 4.41Å; Y376-R381 VanDerWaalsContact O-CB 3.27Å; Y376-R381 WeakPolarHBondContact O-CB 3.48Å; Y376-R381 PolarHBondContact O-N 3.07Å; E379-R381 VanDerWaalsContact C-N 3.3Å; E379-R381 PolarHBondContact O-N 3.01Å; E379-R381 VanDerWaalsContact O-N 3.16Å
382F71.3Confident74.5Confident165 Ų16591.2 Ų91.272%0.72443%0.431SS*.G310 helixtrans-106.1-0.5-178-51.3-72.5000113.1E379 G380E379-F382 PolarHBondContact O-N 3.43Å; G380-F382 PolarHBondContact O-N 2.62Å; G380-F382 VanDerWaalsContact O-N 3.09Å
383S70.9Confident71.6Confident39 Ų3997.8 Ų97.827%0.27347%0.471SS..  trans-76.8148.9-179.8-67.20000111.8E379 G380E379-S383 PolarHBondContact O-OG 3.05Å; G380-S383 WeakPolarHBondContact O-CB 3.27Å; G380-S383 PolarHBondContact O-N 3.37Å; G380-S383 VanDerWaalsContact O-N 3.09Å
384N71Confident68.6Low158 Ų15895.3 Ų95.385%0.84548%0.478SS*.  trans-85.6134.8164.2-68.8-57.6000108.9
385F78.9Confident65.8Low32 Ų3299.8 Ų99.814%0.1451%0.505CS..  trans-106.6134.3-178.1-59-69.5000111.7H284 V309 N313 L315 W375 Y376 G380H284-F385 AromaticContact CD2-CD2 3.92Å; H284-F385 AromaticContact CD2-CE2 3.93Å; H284-F385 AromaticContact CE1-CE2 3.74Å; H284-F385 AromaticContact CG-CE2 3.89Å; H284-F385 AromaticContact ND1-CE2 3.77Å; H284-F385 AromaticContact NE2-CD2 3.96Å; H284-F385 AromaticContact NE2-CE2 3.84Å; V309-F385 HydrophobicContact CB-CD1 3.99Å; V309-F385 HydrophobicContact CB-CE1 3.75Å; V309-F385 HydrophobicContact CB-CE2 4.26Å; V309-F385 HydrophobicContact CB-CG 4.35Å; V309-F385 HydrophobicContact CB-CZ 3.86Å; V309-F385 HydrophobicContact CG1-CB 4.35Å; V309-F385 HydrophobicContact CG1-CD1 3.78Å; V309-F385 HydrophobicContact CG1-CD2 3.65Å; V309-F385 HydrophobicContact CG1-CE1 3.92Å; V309-F385 HydrophobicContact CG1-CE2 3.77Å; V309-F385 HydrophobicContact CG1-CG 3.64Å; V309-F385 HydrophobicContact CG1-CZ 3.88Å; V309-F385 HydrophobicContact CG2-CE1 4.12Å; V309-F385 HydrophobicContact CG2-CE2 4.24Å; V309-F385 HydrophobicContact CG2-CZ 3.78Å; N313-F385 HydrophobicContact CB-CD1 4.46Å; N313-F385 CarbonylContact O-C 3.54Å; N313-F385 VanDerWaalsContact O-CA 3.3Å; N313-F385 WeakPolarHBondContact O-CA 3.35Å; L315-F385 HydrophobicContact CB-CB 3.78Å; W375-F385 AromaticContact CH2-CE1 3.88Å; W375-F385 HydrophobicContact CH2-CE1 3.88Å; W375-F385 HydrophobicContact CH2-CZ 4.33Å; W375-F385 HydrophobicContact CZ2-CE1 4.44Å; Y376-F385 HydrophobicContact CE2-CZ 4.47Å; G380-F385 WeakPolarHBondContact O-CZ 3.29Å
386E79Confident63Low148 Ų148103.5 Ų103.569%0.69254%0.536SS*.EExtended strand (participates in β ladder)trans-73.2133.6170.8-65.3-171.2171.100109.9N313 C314 L315N313-E386 PolarHBondContact O-N 2.82Å; C314-E386 CarbonylContact C-O 3.31Å; C314-E386 VanDerWaalsContact CA-O 3.27Å; C314-E386 WeakPolarHBondContact CA-O 3.43Å; L315-E386 PolarHBondContact N-O 3.29Å
387T77.1Confident60Low70 Ų70107.2 Ų107.243%0.42958%0.578SS.*EExtended strand (participates in β ladder)trans-99.1145.4174.151.30000109.9L315 R389L315-T387 HydrophobicContact CB-CG2 4.2Å; L315-T387 HydrophobicContact CD2-CG2 4.14Å; T387-R389 PolarHBondContact O-N 2.94Å
388F73.8Confident57.2Low27 Ų27105.4 Ų105.412%0.11859%0.59CS.*  trans-59.2109167.9-66.1-83.3000108.3I265 L268 D269 C314 V316 R349I265-F388 HydrophobicContact CG2-CE2 3.93Å; I265-F388 HydrophobicContact CG2-CZ 4.38Å; I265-F388 WeakPolarHBondContact O-CZ 3.4Å; L268-F388 HydrophobicContact CB-CE1 4.27Å; L268-F388 HydrophobicContact CB-CZ 3.93Å; L268-F388 HydrophobicContact CD1-CE2 4.33Å; L268-F388 HydrophobicContact CD1-CZ 4.44Å; D269-F388 WeakPolarHBondContact OD1-CD1 3.04Å; D269-F388 WeakPolarHBondContact OD2-CD1 3.37Å; D269-F388 VanDerWaalsContact OD2-CE1 3.31Å; D269-F388 WeakPolarHBondContact OD2-CE1 3.47Å; C314-F388 HydrophobicContact CB-CE2 4.41Å; C314-F388 HydrophobicContact CB-CZ 4.5Å; V316-F388 HydrophobicContact CB-CD2 4.27Å; V316-F388 HydrophobicContact CB-CE2 4.02Å; V316-F388 HydrophobicContact CG2-CD2 4.33Å; V316-F388 HydrophobicContact CG2-CE2 4.3Å; R349-F388 HydrophobicContact CB-CB 4.12Å; R349-F388 HydrophobicContact CB-CD1 3.77Å; R349-F388 HydrophobicContact CB-CD2 3.96Å; R349-F388 HydrophobicContact CB-CE1 4.24Å; R349-F388 HydrophobicContact CB-CE2 4.41Å; R349-F388 HydrophobicContact CB-CG 3.64Å; R349-F388 HydrophobicContact CG-CD1 3.82Å; R349-F388 HydrophobicContact CG-CE1 4.2Å; R349-F388 HydrophobicContact CG-CG 4.21Å
389R57.6Low54.5Low213 Ų213102.6 Ų102.680%0.80459%0.594SS**  trans-94.6123.7175-69.3-178.6-178.9162.31.3107.4T387 E391T387-R389 PolarHBondContact O-N 2.94Å; R389-E391 PolarHBondContact O-N 2.8Å
390S48.9Very low52.1Low46 Ų46103.8 Ų103.832%0.32260%0.604SS.*  trans-60.5123.7159.8-174.90000106.3M392S390-M392 PolarHBondContact O-N 2.88Å
391E35.6Very low50Low191 Ų191108 Ų10889%0.89365%0.648SS**  trans-60.978.8165.9-72.5176.5154.500108.6R389R389-E391 PolarHBondContact O-N 2.8Å
392M38.2Very low47.9Very low100 Ų100106.1 Ų106.149%0.49365%0.652SS.*  trans-112.694.3159.6-82.6-164.9-16900106S390 G394 Y431S390-M392 PolarHBondContact O-N 2.88Å; M392-G394 PolarHBondContact O-N 2.86Å; M392-Y431 HydrophobicContact CE-CD1 4.45Å; M392-Y431 HydrophobicContact CE-CE1 4.05Å
393V32.5Very low46Very low144 Ų144101.1 Ų101.187%0.87364%0.638SS**  trans-60.4122.9165.6175.20000108.5
394G30.2Very low44.4Very low61 Ų61101.8 Ų101.863%0.62964%0.642SS**  trans87.892.8150.800000118M392M392-G394 PolarHBondContact O-N 2.86Å
395S33.7Very low42.9Very low116 Ų11698.3 Ų98.381%0.81163%0.63SS**  169.8106.9114.8-75.70000111.8
396S33.5Very low41.3Very low114 Ų11499 Ų9980%0.79764%0.639SS**  trans36116135.862.20000120.2
397G27.3Very low39.8Very low89 Ų8992.7 Ų92.792%0.91861%0.614SS**  82.1105.2126.600000117.1
398G28.3Very low38.8Very low77 Ų7792.3 Ų92.379%0.79461%0.611SS**  trans154.793.3165.200000111.6D400G398-D400 PolarHBondContact O-N 2.59Å
399A27.2Very low38.1Very low95 Ų9591.7 Ų91.779%0.78561%0.609SS**  trans-54.5127160.700000109
400D31.1Very low38.4Very low150 Ų15084 Ų8480%0.80260%0.596SS**  trans16790.7146.4-82.7-16.6000107.9G398 V402G398-D400 PolarHBondContact O-N 2.59Å; D400-V402 VanDerWaalsContact C-N 3.33Å; D400-V402 PolarHBondContact O-N 2.87Å
401G28.4Very low39.6Very low89 Ų8983.7 Ų83.792%0.91860%0.6SS**  trans-69.885.7176.400000110.8
402V30.6Very low41.8Very low104 Ų10479.2 Ų79.263%0.6358%0.575SS**  trans-139.8132.4174.5-176.10000110.7D400 K428D400-V402 VanDerWaalsContact C-N 3.33Å; D400-V402 PolarHBondContact O-N 2.87Å; V402-K428 PolarHBondContact O-NZ 3.15Å
403S33.4Very low44.1Very low61 Ų6176.4 Ų76.443%0.42756%0.562SS.*  trans71.5116.6149.265.40000121.9K428S403-K428 PolarHBondContact O-NZ 3.47Å
404S36.6Very low46.9Very low52 Ų5273 Ų7336%0.36454%0.539SS..  71.7137.2123.771.80000121.3S406S404-S406 PolarHBondContact O-N 2.87Å
405S38.5Very low49.9Very low86 Ų8670.2 Ų70.260%0.60151%0.51SS*.  trans-57.956.2153.857.30000112.4K295 G407K295-S405 PolarHBondContact NZ-O 3.43Å; S405-G407 PolarHBondContact O-N 2.96Å; S405-G407 VanDerWaalsContact O-N 3.16Å
406S46.1Very low52.7Low45 Ų4570.1 Ų70.132%0.31550%0.496SS..  trans-86.437.3-179.2-146.60000112S404 N426S404-S406 PolarHBondContact O-N 2.87Å; S406-N426 WeakPolarHBondContact O-CB 3.2Å; S406-N426 VanDerWaalsContact O-CG 3.27Å; S406-N426 PolarHBondContact O-ND2 2.77Å
407G46.9Very low55.2Low17 Ų1767.3 Ų67.318%0.17547%0.472CS..  trans-116135.2170.300000111.1K295 S405 L409 D430K295-G407 PolarHBondContact NZ-O 2.97Å; S405-G407 PolarHBondContact O-N 2.96Å; S405-G407 VanDerWaalsContact O-N 3.16Å; G407-L409 PolarHBondContact O-N 2.77Å; G407-D430 WeakPolarHBondContact CA-OD1 3.47Å
408V56.6Low58.2Low61 Ų6163.3 Ų63.337%0.3743%0.43SS..SBendtrans-59.4-32.8170.7177.30000111.4A420 G422 V423 D430V408-A420 HydrophobicContact CG1-CB 4.45Å; V408-G422 VanDerWaalsContact CG2-C 3.41Å; V408-G422 WeakPolarHBondContact CG2-O 3.47Å; V408-V423 HydrophobicContact CB-CG2 3.88Å; V408-V423 HydrophobicContact CG1-CG2 3.7Å; V408-D430 PolarHBondContact N-OD1 3.4Å
409L59.1Low60.9Low15 Ų1567.3 Ų67.38%0.07943%0.426CS..  trans-108.5142.4179.6-58.8175.8000111.9G407 D417 V418 V423 D430 Y431 F432G407-L409 PolarHBondContact O-N 2.77Å; L409-D417 HydrophobicContact CD2-CB 3.77Å; L409-V418 HydrophobicContact CD1-CG2 4.11Å; L409-V423 HydrophobicContact CD1-CG1 3.76Å; L409-V423 HydrophobicContact CD1-CG2 4Å; L409-V423 HydrophobicContact CD2-CG2 4.42Å; L409-V423 HydrophobicContact CG-CG1 4.33Å; L409-V423 HydrophobicContact CG-CG2 3.92Å; L409-D430 HydrophobicContact CB-CB 4.41Å; L409-D430 PolarHBondContact N-OD1 3.45Å; L409-Y431 CarbonylContact C-O 3.55Å; L409-F432 HydrophobicContact CB-CB 3.96Å; L409-F432 HydrophobicContact CB-CD1 4.16Å; L409-F432 HydrophobicContact CB-CG 4.28Å; L409-F432 HydrophobicContact CD1-CD1 3.56Å; L409-F432 HydrophobicContact CD1-CE1 3.83Å; L409-F432 HydrophobicContact CD1-CG 4.02Å; L409-F432 HydrophobicContact CD1-CZ 4.47Å
410G63.9Low63.5Low50 Ų5065 Ų6552%0.51541%0.407SS..  trans-159.4148.3176.800000111.4N413 Y431G410-N413 PolarHBondContact O-ND2 2.78Å; G410-Y431 WeakPolarHBondContact CA-O 3.39Å
411G73.6Confident65.7Low41 Ų4163.6 Ų63.642%0.42341%0.409SS..SBendtrans62.3-139.3-177.300000111.8N413 F432 T433G411-N413 PolarHBondContact O-ND2 3.35Å; G411-F432 CarbonylContact O-C 3.54Å; G411-F432 WeakPolarHBondContact O-CA 3.19Å; G411-T433 PolarHBondContact O-N 2.92Å
412W81.8Confident68.1Low96 Ų9661 Ų6136%0.36438%0.382SS..BIsolated β-bridgetrans-97.4130.9-174.4-74.176.4000113.4T433 I542 Y573 R576W412-T433 CarbonylContact C-O 3.55Å; W412-T433 WeakPolarHBondContact CA-O 3.47Å; W412-T433 HydrophobicContact CD2-CG2 3.74Å; W412-T433 HydrophobicContact CE3-CG2 3.92Å; W412-T433 HydrophobicContact CG-CG2 4.34Å; W412-T433 HydrophobicContact CH2-CG2 4.09Å; W412-T433 HydrophobicContact CZ2-CG2 3.91Å; W412-T433 HydrophobicContact CZ3-CG2 4.08Å; W412-I542 HydrophobicContact CH2-CD1 3.72Å; W412-I542 HydrophobicContact CH2-CG1 4.23Å; W412-I542 HydrophobicContact CH2-CG2 3.76Å; W412-I542 HydrophobicContact CZ2-CG2 4.27Å; W412-I542 HydrophobicContact CZ3-CD1 3.97Å; W412-I542 HydrophobicContact CZ3-CG2 4.3Å; W412-Y573 HydrophobicContact CH2-CD2 4.16Å; W412-Y573 HydrophobicContact CH2-CE2 4.33Å; W412-Y573 HydrophobicContact CZ3-CD2 4.23Å; W412-Y573 AromaticContact CZ3-CE2 3.93Å; W412-Y573 HydrophobicContact CZ3-CE2 3.93Å; W412-R576 VanDerWaalsContact CE2-NH1 3.25Å; W412-R576 VanDerWaalsContact CG-NH2 3.26Å; W412-R576 VanDerWaalsContact NE1-NH1 3.11Å
413N86Confident70.5Confident41 Ų4156.5 Ų56.522%0.21935%0.354CS..  trans-141.5167.6-174.9-64.2-86.4000110.1G410 G411 D417 F432 T433 C434G410-N413 PolarHBondContact O-ND2 2.78Å; G411-N413 PolarHBondContact O-ND2 3.35Å; N413-D417 HydrophobicContact CB-CB 4.12Å; N413-D417 WeakPolarHBondContact CB-OD2 3.4Å; N413-F432 HydrophobicContact CB-CB 4.39Å; N413-F432 HydrophobicContact CB-CD2 4.04Å; N413-T433 PolarHBondContact N-O 3.07Å; N413-C434 WeakPolarHBondContact O-CB 3.24Å
414L91.4Very high72.7Confident72 Ų7253.7 Ų53.738%0.37734%0.335SS..  trans-93.6160.5171.1-64.4166.9000109.7Q416 D417 D492 I493 T494L414-Q416 PolarHBondContact O-N 3.31Å; L414-D417 PolarHBondContact N-OD2 2.85Å; L414-D417 WeakPolarHBondContact O-CB 3.2Å; L414-D417 PolarHBondContact O-N 3.38Å; L414-D492 WeakPolarHBondContact CA-OD2 3.48Å; L414-I493 HydrophobicContact CD2-CD1 4.36Å; L414-I493 HydrophobicContact CD2-CG1 4.15Å; L414-T494 HydrophobicContact CB-CG2 3.62Å; L414-T494 HydrophobicContact CD1-CG2 3.45Å; L414-T494 VanDerWaalsContact CD1-CG2 3.45Å; L414-T494 HydrophobicContact CD2-CG2 4.19Å; L414-T494 HydrophobicContact CG-CG2 3.92Å
415L93.9Very high74.8Confident4 Ų454.4 Ų54.42%0.02134%0.344CS..G310 helixtrans-62.6-31-177.6-68-179.5000112.8D417 V418 A436 I490 D492 T494 L497 L545L415-D417 PolarHBondContact O-N 2.68Å; L415-V418 WeakPolarHBondContact O-CB 3.24Å; L415-V418 WeakPolarHBondContact O-CG2 3.45Å; L415-V418 PolarHBondContact O-N 2.87Å; L415-A436 HydrophobicContact CD1-CB 4.23Å; L415-I490 HydrophobicContact CD1-CG1 4.14Å; L415-I490 HydrophobicContact CD2-CD1 3.9Å; L415-I490 HydrophobicContact CD2-CG1 4.29Å; L415-D492 HydrophobicContact CD1-CB 4.16Å; L415-D492 HydrophobicContact CG-CB 4.27Å; L415-D492 PolarHBondContact N-OD2 2.9Å; L415-T494 PolarHBondContact N-OG1 3.38Å; L415-L497 HydrophobicContact CD1-CB 4.3Å; L415-L497 HydrophobicContact CD2-CB 4.13Å; L415-L497 HydrophobicContact CD2-CD2 3.95Å; L415-L545 HydrophobicContact CD2-CD1 4.19Å
416Q92.2Very high76.5Confident114 Ų11453 Ų5353%0.53333%0.33SS..G310 helixtrans-58.7-32.1174168.6176.1-6.900112.9L414 V418 K419 T494L414-Q416 PolarHBondContact O-N 3.31Å; Q416-V418 PolarHBondContact O-N 2.93Å; Q416-V418 VanDerWaalsContact O-N 3.14Å; Q416-K419 WeakPolarHBondContact O-CB 3.45Å; Q416-K419 PolarHBondContact O-N 2.89Å; Q416-T494 HydrophobicContact CB-CG2 4.31Å; Q416-T494 WeakPolarHBondContact CB-OG1 3.41Å; Q416-T494 PolarHBondContact N-OG1 3.27Å
417D87.3Confident77.9Confident55 Ų5557.6 Ų57.629%0.29436%0.355SS..G310 helixtrans-64.7-21.9-176.5-58.9-37.6000111.7L409 N413 L414 L415 K419 A420L409-D417 HydrophobicContact CD2-CB 3.77Å; N413-D417 HydrophobicContact CB-CB 4.12Å; N413-D417 WeakPolarHBondContact CB-OD2 3.4Å; L414-D417 PolarHBondContact N-OD2 2.85Å; L414-D417 WeakPolarHBondContact O-CB 3.2Å; L414-D417 PolarHBondContact O-N 3.38Å; L415-D417 PolarHBondContact O-N 2.68Å; D417-K419 PolarHBondContact O-N 2.93Å; D417-A420 WeakPolarHBondContact O-CB 3.45Å; D417-A420 PolarHBondContact O-N 2.77Å; D417-A420 VanDerWaalsContact O-N 3.09Å
418V88.4Confident79.2Confident4 Ų461.3 Ų61.32%0.02437%0.367CS..G310 helixtrans-63.3-24.6172.9-176.30000112.8L409 L415 Q416 A420 V423 F432 L497 L558 V560L409-V418 HydrophobicContact CD1-CG2 4.11Å; L415-V418 WeakPolarHBondContact O-CB 3.24Å; L415-V418 WeakPolarHBondContact O-CG2 3.45Å; L415-V418 PolarHBondContact O-N 2.87Å; Q416-V418 PolarHBondContact O-N 2.93Å; Q416-V418 VanDerWaalsContact O-N 3.14Å; V418-A420 VanDerWaalsContact C-N 3.27Å; V418-V423 HydrophobicContact CG1-CG1 4.38Å; V418-F432 HydrophobicContact CG2-CE1 3.69Å; V418-F432 HydrophobicContact CG2-CE2 3.79Å; V418-F432 HydrophobicContact CG2-CZ 3.15Å; V418-L497 HydrophobicContact CB-CD2 4.46Å; V418-L497 HydrophobicContact CG1-CD1 4.28Å; V418-L497 HydrophobicContact CG1-CD2 4.26Å; V418-L497 HydrophobicContact CG2-CD2 4.02Å; V418-L558 HydrophobicContact CG1-CD2 3.6Å; V418-V560 HydrophobicContact CG1-CG2 4.15Å
419K85.9Confident80.4Confident162 Ų16259.1 Ų59.170%0.70436%0.355SS*.G310 helixtrans-82.6-3.9177.5-58.7178-179.4173.80112.6Q416 D417Q416-K419 WeakPolarHBondContact O-CB 3.45Å; Q416-K419 PolarHBondContact O-N 2.89Å; D417-K419 PolarHBondContact O-N 2.93Å
420A81.8Confident81.5Confident47 Ų4758.4 Ų58.439%0.38835%0.351SS..SBendtrans-63.6146.3177.100000111.3V408 D417 V418 G422 V423V408-A420 HydrophobicContact CG1-CB 4.45Å; D417-A420 WeakPolarHBondContact O-CB 3.45Å; D417-A420 PolarHBondContact O-N 2.77Å; D417-A420 VanDerWaalsContact O-N 3.09Å; V418-A420 VanDerWaalsContact C-N 3.27Å; A420-G422 PolarHBondContact O-N 2.92Å; A420-V423 HydrophobicContact CB-CG2 4.06Å; A420-V423 VanDerWaalsContact O-CG2 3.3Å; A420-V423 WeakPolarHBondContact O-CG2 3.45Å; A420-V423 PolarHBondContact O-N 3.48Å
421S76.9Confident82.6Confident120 Ų12059.9 Ų59.984%0.83934%0.342SS*.THydrogen-bonded Turntrans-61.5133179-55.60000111.4
422G79.3Confident83.2Confident34 Ų3458 Ų5835%0.35132%0.322SS..THydrogen-bonded Turntrans91.7-5.6177.300000115.5V408 A420 G424 A425V408-G422 VanDerWaalsContact CG2-C 3.41Å; V408-G422 WeakPolarHBondContact CG2-O 3.47Å; A420-G422 PolarHBondContact O-N 2.92Å; G422-G424 PolarHBondContact O-N 3.22Å; G422-A425 PolarHBondContact O-N 3.42Å
423V80.4Confident83.5Confident9 Ų954.8 Ų54.86%0.05531%0.313CS..THydrogen-bonded Turntrans-62.2124.2175.6176.90000110.4V408 L409 V418 A420 A425 D430 A547 L558V408-V423 HydrophobicContact CB-CG2 3.88Å; V408-V423 HydrophobicContact CG1-CG2 3.7Å; L409-V423 HydrophobicContact CD1-CG1 3.76Å; L409-V423 HydrophobicContact CD1-CG2 4Å; L409-V423 HydrophobicContact CD2-CG2 4.42Å; L409-V423 HydrophobicContact CG-CG1 4.33Å; L409-V423 HydrophobicContact CG-CG2 3.92Å; V418-V423 HydrophobicContact CG1-CG1 4.38Å; A420-V423 HydrophobicContact CB-CG2 4.06Å; A420-V423 VanDerWaalsContact O-CG2 3.3Å; A420-V423 WeakPolarHBondContact O-CG2 3.45Å; A420-V423 PolarHBondContact O-N 3.48Å; V423-A425 PolarHBondContact O-N 2.85Å; V423-D430 HydrophobicContact CG1-CB 4.35Å; V423-A547 HydrophobicContact CG1-CB 3.8Å; V423-L558 HydrophobicContact CG1-CD2 4.42Å
424G79.8Confident83.8Confident2 Ų252.9 Ų52.92%0.02130%0.303CS..THydrogen-bonded Turntrans73.9-2.5179.800000115G422 D430 V549G422-G424 PolarHBondContact O-N 3.22Å; G424-D430 PolarHBondContact N-OD2 3.22Å; G424-V549 WeakPolarHBondContact O-CB 3.17Å; G424-V549 PolarHBondContact O-N 2.9Å
425A80.2Confident83.9Confident67 Ų6752.8 Ų52.855%0.55430%0.299SS*.THydrogen-bonded Turntrans-80-17.4-175.400000113.4G422 V423G422-A425 PolarHBondContact O-N 3.42Å; V423-A425 PolarHBondContact O-N 2.85Å
426N75.4Confident84.1Confident57 Ų5752.7 Ų52.731%0.30530%0.299SS..SBendtrans-75.3159.9177.6-65.6-45.4000111.5S406 K428S406-N426 WeakPolarHBondContact O-CB 3.2Å; S406-N426 VanDerWaalsContact O-CG 3.27Å; S406-N426 PolarHBondContact O-ND2 2.77Å; N426-K428 CarbonylContact C-O 3.49Å; N426-K428 PolarHBondContact O-N 3.01Å
427V74.3Confident84.4Confident141 Ų14149 Ų4986%0.85529%0.285SS*.SBendtrans-54.3-38.6175.7179.30000111.2
428K74.7Confident84.9Confident96 Ų9646.4 Ų46.442%0.41727%0.271SS..SBendtrans-90.6136.8173.3-64.3-170.8-179.2-176.70109.7V402 S403 N426V402-K428 PolarHBondContact O-NZ 3.15Å; S403-K428 PolarHBondContact O-NZ 3.47Å; N426-K428 CarbonylContact C-O 3.49Å; N426-K428 PolarHBondContact O-N 3.01Å
429A82.6Confident85.3Confident14 Ų1448.8 Ų48.812%0.11629%0.285CS..PPolyproline II helixtrans-67.7151.117700000111.5Y431 R546 A547 K548A429-Y431 HydrophobicContact CB-CE2 4.07Å; A429-Y431 WeakPolarHBondContact O-CD2 3.4Å; A429-R546 HydrophobicContact CB-CG 3.7Å; A429-A547 WeakPolarHBondContact CA-O 3.46Å; A429-A547 WeakPolarHBondContact CB-O 3.35Å; A429-K548 HydrophobicContact CB-CB 3.98Å; A429-K548 HydrophobicContact CB-CD 4.39Å; A429-K548 HydrophobicContact CB-CG 4.3Å
430D81.8Confident85.7Confident0 Ų046.2 Ų46.20%027%0.274CS..EExtended strand (participates in β ladder)trans-80.8136.2173.1-87.8-67000111.1G407 V408 L409 V423 G424 R546 A547G407-D430 WeakPolarHBondContact CA-OD1 3.47Å; V408-D430 PolarHBondContact N-OD1 3.4Å; L409-D430 HydrophobicContact CB-CB 4.41Å; L409-D430 PolarHBondContact N-OD1 3.45Å; V423-D430 HydrophobicContact CG1-CB 4.35Å; G424-D430 PolarHBondContact N-OD2 3.22Å; D430-R546 CarbonylContact O-C 3.55Å; D430-R546 VanDerWaalsContact O-CA 3.28Å; D430-R546 WeakPolarHBondContact O-CA 3.38Å; D430-A547 HydrophobicContact CB-CB 4Å; D430-A547 PolarHBondContact N-O 2.94Å; D430-A547 PolarHBondContact O-N 3.07Å
431Y86.9Confident86.4Confident81 Ų8144.4 Ų44.432%0.31826%0.258SS..EExtended strand (participates in β ladder)trans-125.1130.4176.7-71.4-98000110.7M392 L409 G410 A429 L545 R546 A563M392-Y431 HydrophobicContact CE-CD1 4.45Å; M392-Y431 HydrophobicContact CE-CE1 4.05Å; L409-Y431 CarbonylContact C-O 3.55Å; G410-Y431 WeakPolarHBondContact CA-O 3.39Å; A429-Y431 HydrophobicContact CB-CE2 4.07Å; A429-Y431 WeakPolarHBondContact O-CD2 3.4Å; Y431-L545 VanDerWaalsContact CA-O 3.3Å; Y431-L545 WeakPolarHBondContact CA-O 3.49Å; Y431-R546 HydrophobicContact CD1-CB 4Å; Y431-R546 HydrophobicContact CD1-CG 4.29Å; Y431-R546 HydrophobicContact CE1-CB 3.7Å; Y431-R546 HydrophobicContact CE1-CG 3.73Å; Y431-R546 HydrophobicContact CE2-CG 4.1Å; Y431-R546 VanDerWaalsContact OH-CD 3.25Å; Y431-R546 WeakPolarHBondContact OH-CD 3.2Å; Y431-R546 PolarHBondContact OH-NE 2.98Å; Y431-R546 VanDerWaalsContact OH-NE 3.12Å; Y431-A563 HydrophobicContact CE1-CB 4.39Å
432F85.3Confident87.3Confident3 Ų342.6 Ų42.61%0.01324%0.235CC..EExtended strand (participates in β ladder)trans-148.9164.2177.368.4-78.4000112L409 G411 N413 V418 C434 R544 L545 A547L409-F432 HydrophobicContact CB-CB 3.96Å; L409-F432 HydrophobicContact CB-CD1 4.16Å; L409-F432 HydrophobicContact CB-CG 4.28Å; L409-F432 HydrophobicContact CD1-CD1 3.56Å; L409-F432 HydrophobicContact CD1-CE1 3.83Å; L409-F432 HydrophobicContact CD1-CG 4.02Å; L409-F432 HydrophobicContact CD1-CZ 4.47Å; G411-F432 CarbonylContact O-C 3.54Å; G411-F432 WeakPolarHBondContact O-CA 3.19Å; N413-F432 HydrophobicContact CB-CB 4.39Å; N413-F432 HydrophobicContact CB-CD2 4.04Å; V418-F432 HydrophobicContact CG2-CE1 3.69Å; V418-F432 HydrophobicContact CG2-CE2 3.79Å; V418-F432 HydrophobicContact CG2-CZ 3.15Å; F432-C434 HydrophobicContact CE2-CB 4.4Å; F432-R544 CarbonylContact O-C 3.48Å; F432-R544 WeakPolarHBondContact O-CA 3.47Å; F432-L545 HydrophobicContact CD1-CB 4.09Å; F432-L545 HydrophobicContact CE1-CB 3.55Å; F432-L545 HydrophobicContact CE1-CD1 4.26Å; F432-L545 HydrophobicContact CE2-CB 4.1Å; F432-L545 HydrophobicContact CE2-CD1 3.59Å; F432-L545 HydrophobicContact CE2-CG 4.32Å; F432-L545 HydrophobicContact CZ-CB 3.54Å; F432-L545 HydrophobicContact CZ-CD1 3.36Å; F432-L545 HydrophobicContact CZ-CG 4.03Å; F432-L545 PolarHBondContact N-O 2.82Å; F432-L545 PolarHBondContact O-N 3.37Å; F432-A547 HydrophobicContact CE1-CB 4.47Å
433T88.3Confident87.9Confident28 Ų2845.6 Ų45.617%0.17224%0.238CC..EExtended strand (participates in β ladder)trans-116.8136.3179.6-60.20000110G411 W412 N413 I542 F543G411-T433 PolarHBondContact O-N 2.92Å; W412-T433 CarbonylContact C-O 3.55Å; W412-T433 WeakPolarHBondContact CA-O 3.47Å; W412-T433 HydrophobicContact CD2-CG2 3.74Å; W412-T433 HydrophobicContact CE3-CG2 3.92Å; W412-T433 HydrophobicContact CG-CG2 4.34Å; W412-T433 HydrophobicContact CH2-CG2 4.09Å; W412-T433 HydrophobicContact CZ2-CG2 3.91Å; W412-T433 HydrophobicContact CZ3-CG2 4.08Å; N413-T433 PolarHBondContact N-O 3.07Å; T433-I542 HydrophobicContact CG2-CG2 3.57Å; T433-F543 CarbonylContact C-O 3.59Å; T433-F543 WeakPolarHBondContact CA-O 3.47Å
434C92.5Very high88.3Confident1 Ų152.6 Ų52.61%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-142.8151.3174.2660000111N413 F432 F543N413-C434 WeakPolarHBondContact O-CB 3.24Å; F432-C434 HydrophobicContact CE2-CB 4.4Å; C434-F543 PolarHBondContact N-O 2.76Å; C434-F543 PolarHBondContact O-N 3.22Å
435K95Very high88.9Confident69 Ų6959 Ų5930%0.330%0.304SS..EExtended strand (participates in β ladder)trans-86.6122.4162.2179.9-172.1172.6-173.10107.6W541 I542 V568 Y573K435-W541 WeakPolarHBondContact CA-O 3.31Å; K435-I542 HydrophobicContact CB-CD1 3.69Å; K435-I542 HydrophobicContact CG-CD1 3.96Å; K435-V568 HydrophobicContact CG-CG2 4.39Å; K435-Y573 HydrophobicContact CB-CE2 3.84Å; K435-Y573 HydrophobicContact CD-CD1 4.05Å; K435-Y573 HydrophobicContact CD-CD2 4.46Å; K435-Y573 HydrophobicContact CD-CE1 3.4Å; K435-Y573 HydrophobicContact CD-CE2 3.89Å; K435-Y573 WeakPolarHBondContact CD-OH 3.34Å; K435-Y573 HydrophobicContact CG-CE2 4.43Å
436A97.2Very high89.6Confident2 Ų255.9 Ų55.92%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-141.5161.8175.500000111L415 I490 A491 S540 W541 F543L415-A436 HydrophobicContact CD1-CB 4.23Å; A436-I490 HydrophobicContact CB-CB 3.95Å; A436-I490 HydrophobicContact CB-CD1 4.06Å; A436-I490 HydrophobicContact CB-CG1 4.28Å; A436-A491 CarbonylContact C-O 3.52Å; A436-A491 WeakPolarHBondContact CA-O 3.46Å; A436-A491 WeakPolarHBondContact CB-O 3.47Å; A436-S540 WeakPolarHBondContact O-CA 3.24Å; A436-W541 PolarHBondContact N-O 2.76Å; A436-W541 PolarHBondContact O-N 2.93Å; A436-F543 HydrophobicContact CB-CD2 3.88Å; A436-F543 HydrophobicContact CB-CE2 3.94Å; A436-F543 WeakPolarHBondContact O-CE2 3.27Å
437T98.1Very high90.5Very high37 Ų3753.6 Ų53.623%0.22727%0.266CS..EExtended strand (participates in β ladder)trans-107.7134.3176.5-62.90000109.5V439 I490 A491 N539 S540T437-V439 PolarHBondContact O-N 2.98Å; T437-I490 CarbonylContact O-C 3.44Å; T437-I490 VanDerWaalsContact O-CA 3.26Å; T437-I490 WeakPolarHBondContact O-CA 3.41Å; T437-A491 PolarHBondContact N-O 2.88Å; T437-A491 PolarHBondContact O-N 3.18Å; T437-N539 WeakPolarHBondContact CA-O 3.27Å; T437-S540 PolarHBondContact OG1-OG 2.84Å
438V97.5Very high91.5Very high1 Ų148.9 Ų48.91%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-72.2111.8173.8-179.40000108.7M441 A488 I490 L509 F538 N539 F543V438-M441 HydrophobicContact CG1-CE 4.05Å; V438-M441 HydrophobicContact CG1-CG 3.71Å; V438-M441 HydrophobicContact CG1-SD 3.93Å; V438-A488 HydrophobicContact CG1-CB 4.46Å; V438-I490 HydrophobicContact CG2-CG2 4.19Å; V438-L509 HydrophobicContact CG2-CD2 3.96Å; V438-F538 WeakPolarHBondContact O-CA 3.46Å; V438-F538 PolarHBondContact O-N 2.75Å; V438-N539 PolarHBondContact N-O 2.74Å; V438-N539 VanDerWaalsContact N-O 3.07Å; V438-F543 HydrophobicContact CG2-CZ 3.94Å
439V96.7Very high92.4Very high53 Ų5346.6 Ų46.632%0.32122%0.223SC..EExtended strand (participates in β ladder)trans-93.3-36.3-177.5-177.70000111.6T437 K489 A491 F538T437-V439 PolarHBondContact O-N 2.98Å; V439-K489 PolarHBondContact N-O 2.9Å; V439-A491 HydrophobicContact CG2-CB 3.43Å; V439-A491 VanDerWaalsContact CG2-CB 3.43Å; V439-F538 HydrophobicContact CG1-CE1 4.38Å; V439-F538 HydrophobicContact CG1-CZ 4.5Å
440F95.5Very high93Very high108 Ų10845.9 Ų45.947%0.47422%0.218SC..EExtended strand (participates in β ladder)trans-150.9149.1-177.1-180-95.2000111.2K442 A488 K489 W498F440-K442 HydrophobicContact CE1-CG 4Å; F440-A488 CarbonylContact O-C 3.52Å; F440-A488 WeakPolarHBondContact O-CA 3.29Å; F440-K489 HydrophobicContact CB-CB 4.07Å; F440-K489 PolarHBondContact N-O 3.09Å; F440-K489 PolarHBondContact O-N 2.89Å; F440-W498 AromaticContact CD1-CH2 3.48Å; F440-W498 HydrophobicContact CD1-CH2 3.48Å; F440-W498 VanDerWaalsContact CD1-CH2 3.48Å; F440-W498 HydrophobicContact CD1-CZ2 4.23Å; F440-W498 HydrophobicContact CD1-CZ3 4.2Å; F440-W498 AromaticContact CE1-CH2 3.73Å; F440-W498 HydrophobicContact CE1-CH2 3.73Å
441M96.2Very high93.6Very high10 Ų1045.9 Ų45.95%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-135.6133.4177.2-76.6175.7-71.200109.4V438 K443 L486 A488 L510 F533 S536 A537V438-M441 HydrophobicContact CG1-CE 4.05Å; V438-M441 HydrophobicContact CG1-CG 3.71Å; V438-M441 HydrophobicContact CG1-SD 3.93Å; M441-K443 PolarHBondContact O-N 3.43Å; M441-L486 HydrophobicContact CB-CD1 4.17Å; M441-L486 HydrophobicContact CG-CD1 4.32Å; M441-L486 HydrophobicContact CG-CD2 4.4Å; M441-L486 HydrophobicContact SD-CD1 4.5Å; M441-L486 HydrophobicContact SD-CD2 3.96Å; M441-A488 HydrophobicContact CG-CB 3.95Å; M441-L510 HydrophobicContact SD-CD2 3.95Å; M441-F533 HydrophobicContact CB-CD1 3.73Å; M441-F533 HydrophobicContact CB-CE1 3.91Å; M441-F533 HydrophobicContact CE-CD1 4.19Å; M441-F533 WeakPolarHBondContact CE-O 3.45Å; M441-F533 HydrophobicContact SD-CD1 4.35Å; M441-S536 VanDerWaalsContact CE-CB 3.46Å; M441-A537 HydrophobicContact CE-CB 4.35Å
442K94.9Very high93.8Very high82 Ų8243.8 Ų43.836%0.35722%0.215SC..  trans-72.5121.3175.9-72.7-172.1179.2-172.20109.9F440 M487 W498F440-K442 HydrophobicContact CE1-CG 4Å; K442-M487 HydrophobicContact CB-CB 4.25Å; K442-M487 HydrophobicContact CD-CB 4.01Å; K442-M487 HydrophobicContact CD-SD 4.08Å; K442-M487 HydrophobicContact CG-CB 4.26Å; K442-M487 PolarHBondContact N-O 3.32Å; K442-W498 HydrophobicContact CD-CH2 4.26Å; K442-W498 HydrophobicContact CD-CZ3 4.21Å; K442-W498 HydrophobicContact CG-CH2 3.85Å; K442-W498 HydrophobicContact CG-CZ3 3.86Å
443K91.8Very high94.1Very high96 Ų9645 Ų4542%0.41722%0.223SC..  trans-79-18.6173.3-60.3-178.2-178.8179.20112.7M441 F446 E530 F533M441-K443 PolarHBondContact O-N 3.43Å; K443-F446 WeakPolarHBondContact O-CD1 3.35Å; K443-E530 IonicContact NZ-OE1 3.12Å; K443-E530 PolarHBondContact NZ-OE1 3.29Å; K443-F533 HydrophobicContact CG-CD1 4.17Å; K443-F533 HydrophobicContact CG-CD2 4.06Å; K443-F533 HydrophobicContact CG-CE1 4.3Å; K443-F533 HydrophobicContact CG-CE2 4.21Å; K443-F533 HydrophobicContact CG-CG 4.05Å; K443-F533 HydrophobicContact CG-CZ 4.33Å
444E90.7Very high94.1Very high156 Ų15652.7 Ų52.773%0.72926%0.257SS*.SBendtrans-83.7138.6176.3-66.2169.6-166.100110.7F446E444-F446 PolarHBondContact O-N 2.93Å
445N90.9Very high94Very high136 Ų13656 Ų5673%0.72729%0.291SS*.SBendtrans53.318.8173.3-61.3-46.4000115.8M447N445-M447 PolarHBondContact O-N 3.08Å; N445-M447 VanDerWaalsContact O-N 3.11Å
446F95.2Very high93.8Very high3 Ų352.9 Ų52.91%0.01328%0.278CS..  trans-67-9.8179.875.1-78.8000114K443 E444 L484 L485 L486 L517 L529 F533K443-F446 WeakPolarHBondContact O-CD1 3.35Å; E444-F446 PolarHBondContact O-N 2.93Å; F446-L484 HydrophobicContact CD2-CD2 3.82Å; F446-L484 HydrophobicContact CE2-CD2 4.05Å; F446-L485 CarbonylContact C-O 3.53Å; F446-L485 WeakPolarHBondContact CA-O 3.24Å; F446-L485 CarbonylContact O-C 3.49Å; F446-L485 VanDerWaalsContact O-C 3.31Å; F446-L485 PolarHBondContact O-N 3.19Å; F446-L486 HydrophobicContact CB-CD1 4.1Å; F446-L517 HydrophobicContact CE2-CD1 4.49Å; F446-L529 HydrophobicContact CE1-CD2 4.3Å; F446-L529 HydrophobicContact CZ-CD1 3.83Å; F446-L529 HydrophobicContact CZ-CD2 4.36Å; F446-F533 HydrophobicContact CB-CZ 4.45Å; F446-F533 HydrophobicContact CD1-CZ 4.18Å; F446-F533 AromaticContact CD2-CZ 3.97Å; F446-F533 HydrophobicContact CD2-CZ 3.97Å; F446-F533 HydrophobicContact CE1-CE2 4.47Å; F446-F533 HydrophobicContact CE1-CZ 4.4Å; F446-F533 HydrophobicContact CE2-CE2 4.46Å; F446-F533 HydrophobicContact CE2-CZ 4.22Å; F446-F533 AromaticContact CG-CZ 3.94Å; F446-F533 HydrophobicContact CG-CZ 3.94Å; F446-F533 HydrophobicContact CZ-CE2 4.37Å; F446-F533 HydrophobicContact CZ-CZ 4.42Å
447M94.6Very high93.5Very high9 Ų956.4 Ų56.44%0.04430%0.296CS..EExtended strand (participates in β ladder)trans-150.4154.6179.674-171.3-62.300111.9N445 W482 R483 L484 L517 K521N445-M447 PolarHBondContact O-N 3.08Å; N445-M447 VanDerWaalsContact O-N 3.11Å; M447-W482 HydrophobicContact CE-CB 3.67Å; M447-W482 HydrophobicContact CE-CD2 3.43Å; M447-W482 VanDerWaalsContact CE-CD2 3.43Å; M447-W482 HydrophobicContact CE-CE3 3.29Å; M447-W482 HydrophobicContact CE-CG 3.62Å; M447-W482 HydrophobicContact CE-CZ3 4.03Å; M447-W482 HydrophobicContact CG-CE3 4.04Å; M447-W482 HydrophobicContact CG-CZ3 4.09Å; M447-W482 HydrophobicContact SD-CE3 4.24Å; M447-W482 HydrophobicContact SD-CZ3 4.46Å; M447-R483 CarbonylContact C-O 3.56Å; M447-R483 WeakPolarHBondContact CA-O 3.49Å; M447-R483 WeakPolarHBondContact CB-O 3.28Å; M447-L484 HydrophobicContact CB-CD2 4.04Å; M447-L517 HydrophobicContact CE-CB 4.42Å; M447-K521 HydrophobicContact CG-CD 3.99Å; M447-K521 HydrophobicContact SD-CB 4.29Å; M447-K521 HydrophobicContact SD-CD 3.54Å; M447-K521 VanDerWaalsContact SD-CD 3.54Å
448Y94.4Very high93.2Very high42 Ų4258.7 Ų58.717%0.16530%0.303CS..EExtended strand (participates in β ladder)trans-141.9156.4179.763.3-80.6000111.4A450 K459 R483 L485Y448-A450 HydrophobicContact CD2-CB 4.17Å; Y448-A450 HydrophobicContact CE2-CB 3.77Å; Y448-K459 HydrophobicContact CD2-CB 3.79Å; Y448-K459 HydrophobicContact CD2-CD 4.49Å; Y448-K459 HydrophobicContact CD2-CG 3.95Å; Y448-K459 HydrophobicContact CE2-CB 4.21Å; Y448-R483 HydrophobicContact CD1-CB 4.39Å; Y448-R483 WeakPolarHBondContact CD1-O 3.41Å; Y448-R483 HydrophobicContact CE1-CB 3.79Å; Y448-R483 HydrophobicContact CE2-CB 4.04Å; Y448-R483 PolarHBondContact N-O 3.1Å; Y448-R483 PolarHBondContact O-N 2.89Å; Y448-R483 PolarHBondContact OH-NE 3.09Å; Y448-L485 HydrophobicContact CD1-CB 4.12Å; Y448-L485 HydrophobicContact CE1-CB 4Å
449Q94.4Very high93.1Very high47 Ų4765.4 Ų65.422%0.2233%0.332CS..EExtended strand (participates in β ladder)trans-78127.5170.8-65.4171.6-4900109.3K459 V460 Y468 C480 W482Q449-K459 WeakPolarHBondContact O-CA 3.41Å; Q449-V460 HydrophobicContact CB-CG2 3.72Å; Q449-V460 WeakPolarHBondContact O-CG2 3.43Å; Q449-V460 PolarHBondContact O-N 2.54Å; Q449-Y468 PolarHBondContact NE2-OH 2.89Å; Q449-Y468 VanDerWaalsContact NE2-OH 3.14Å; Q449-C480 HydrophobicContact CB-CB 4.21Å; Q449-W482 HydrophobicContact CG-CD2 4.3Å; Q449-W482 HydrophobicContact CG-CE3 3.91Å; Q449-W482 HydrophobicContact CG-CH2 3.61Å; Q449-W482 HydrophobicContact CG-CZ2 4Å; Q449-W482 HydrophobicContact CG-CZ3 3.56Å
450A94.7Very high93Very high0 Ų063.2 Ų63.20%032%0.319CS..EExtended strand (participates in β ladder)trans-121.3162.8-178.100000111.5Y448 S452 K458 K481 R483Y448-A450 HydrophobicContact CD2-CB 4.17Å; Y448-A450 HydrophobicContact CE2-CB 3.77Å; A450-S452 PolarHBondContact O-N 3.32Å; A450-K458 WeakPolarHBondContact CA-O 3.39Å; A450-K481 HydrophobicContact CB-CG 3.99Å; A450-K481 PolarHBondContact N-O 2.82Å; A450-K481 PolarHBondContact O-N 3.41Å; A450-R483 HydrophobicContact CB-CB 4.3Å; A450-R483 VanDerWaalsContact CB-CD 3.47Å; A450-R483 HydrophobicContact CB-CG 3.73Å
451C94Very high93Very high0 Ų061.9 Ų61.90%032%0.316CS..EExtended strand (participates in β ladder)trans-61.7132.1-179.6-175.70000111.9T453 C456 K458 V460 C470 K481C451-T453 VanDerWaalsContact C-N 3.29Å; C451-T453 PolarHBondContact O-N 2.81Å; C451-T453 PolarHBondContact SG-OG1 3.02Å; C451-C456 HydrophobicContact CB-CB 3.99Å; C451-C456 VanDerWaalsContact CB-SG 3.57Å; C451-K458 PolarHBondContact N-O 3.37Å; C451-V460 HydrophobicContact CB-CG1 4.03Å; C451-C470 HydrophobicContact CB-CB 3.92Å; C451-C470 VanDerWaalsContact CB-SG 3.57Å; C451-C470 VanDerWaalsContact SG-SG 3.62Å; C451-K481 WeakPolarHBondContact O-CD 3.46Å; C451-K481 WeakPolarHBondContact O-CE 3.42Å; C451-K481 PolarHBondContact O-NZ 3.25Å
452S92.2Very high92.8Very high37 Ų3765.2 Ų65.226%0.25933%0.334SS..  trans-73.5-18.2178.857.40000113.9A450 E454 D479A450-S452 PolarHBondContact O-N 3.32Å; S452-E454 PolarHBondContact O-N 2.85Å; S452-D479 WeakPolarHBondContact CB-OD2 3.33Å; S452-D479 PolarHBondContact OG-OD2 3.19Å
453T90.9Very high92.7Very high29 Ų2964.5 Ų64.518%0.17833%0.334CS..SBendtrans-57.1131.9175.9-56.60000111.2C451 G455 C456C451-T453 VanDerWaalsContact C-N 3.29Å; C451-T453 PolarHBondContact O-N 2.81Å; C451-T453 PolarHBondContact SG-OG1 3.02Å; T453-G455 PolarHBondContact O-N 3.28Å; T453-C456 PolarHBondContact O-N 3.38Å
454E89.5Confident92.7Very high189 Ų18963.3 Ų63.388%0.88335%0.349SS*.THydrogen-bonded Turntrans-53.5134.8174.3-164.2-179.9173.900111.4S452 C456S452-E454 PolarHBondContact O-N 2.85Å; E454-C456 PolarHBondContact O-N 2.92Å
455G89.3Confident92.8Very high70 Ų7060.9 Ų60.972%0.72234%0.341SS*.THydrogen-bonded Turntrans74.7-6.7-176.400000116.1T453T453-G455 PolarHBondContact O-N 3.28Å
456C90.9Very high92.7Very high4 Ų456.8 Ų56.83%0.02733%0.331CS..  trans-99.9126.3174.5-169.60000111.9C451 T453 E454 C470 K481C451-C456 HydrophobicContact CB-CB 3.99Å; C451-C456 VanDerWaalsContact CB-SG 3.57Å; T453-C456 PolarHBondContact O-N 3.38Å; E454-C456 PolarHBondContact O-N 2.92Å; C456-C470 VanDerWaalsContact SG-SG 3.67Å; C456-K481 WeakPolarHBondContact O-CE 3.33Å; C456-K481 PolarHBondContact O-NZ 3.32Å
457N90.9Very high92.6Very high76 Ų7659.3 Ų59.341%0.40634%0.344SS..  trans-119.211.7177.9-66.5-30.9000113K481 R483N457-K481 PolarHBondContact OD1-NZ 2.86Å; N457-R483 PolarHBondContact OD1-NH1 3.01Å
458K92.6Very high92.6Very high85 Ų8560.7 Ų60.737%0.3735%0.349SS..PPolyproline II helixtrans-70.5138.7-178.5-166.9169.6177.2-1760109.8A450 C451 V460 E471 K472A450-K458 WeakPolarHBondContact CA-O 3.39Å; C451-K458 PolarHBondContact N-O 3.37Å; K458-V460 PolarHBondContact O-N 3.38Å; K458-E471 HydrophobicContact CD-CB 4.38Å; K458-E471 VanDerWaalsContact CE-OE2 3.3Å; K458-E471 WeakPolarHBondContact CE-OE2 3.35Å; K458-E471 VanDerWaalsContact NZ-CB 3.33Å; K458-E471 IonicContact NZ-OE2 2.72Å; K458-E471 PolarHBondContact NZ-OE2 3.28Å; K458-K472 HydrophobicContact CB-CB 4.07Å; K458-K472 HydrophobicContact CD-CB 3.57Å; K458-K472 HydrophobicContact CG-CB 4.42Å
459K94.9Very high92.6Very high141 Ų14164 Ų6461%0.61336%0.362SS*.BIsolated β-bridgetrans-56134.2171.9-175.7175.4179.7-177.70109.6Y448 Q449Y448-K459 HydrophobicContact CD2-CB 3.79Å; Y448-K459 HydrophobicContact CD2-CD 4.49Å; Y448-K459 HydrophobicContact CD2-CG 3.95Å; Y448-K459 HydrophobicContact CE2-CB 4.21Å; Q449-K459 WeakPolarHBondContact O-CA 3.41Å
460V95.6Very high92.6Very high7 Ų761.9 Ų61.94%0.04235%0.352CS..PPolyproline II helixtrans-91.6157.5175.9-68.70000111Q449 C451 K458 Y468 R469 C470 C480Q449-V460 HydrophobicContact CB-CG2 3.72Å; Q449-V460 WeakPolarHBondContact O-CG2 3.43Å; Q449-V460 PolarHBondContact O-N 2.54Å; C451-V460 HydrophobicContact CB-CG1 4.03Å; K458-V460 PolarHBondContact O-N 3.38Å; V460-Y468 HydrophobicContact CB-CD1 4.45Å; V460-Y468 HydrophobicContact CG2-CD1 3.73Å; V460-Y468 HydrophobicContact CG2-CG 4.07Å; V460-R469 WeakPolarHBondContact CA-O 3.44Å; V460-C470 HydrophobicContact CG1-CB 4.04Å; V460-C480 HydrophobicContact CG2-CB 4.05Å
461I94.3Very high92.5Very high80 Ų8067.4 Ų67.441%0.4138%0.378SS..EExtended strand (participates in β ladder)trans-101.9124.5172.6-56.8170.1000107L463 Y468 R469 E471I461-L463 PolarHBondContact O-N 3.43Å; I461-Y468 WeakPolarHBondContact O-CA 3.43Å; I461-R469 PolarHBondContact N-O 2.93Å; I461-R469 PolarHBondContact O-N 2.97Å; I461-E471 HydrophobicContact CD1-CG 4.12Å
462D93Very high92.4Very high80 Ų8074.3 Ų74.343%0.42841%0.408SS..EExtended strand (participates in β ladder)trans-73.1121.4170.6-165.3-31.6000108.8G464 Y468D462-G464 VanDerWaalsContact C-N 3.3Å; D462-G464 PolarHBondContact OD1-N 3.44Å; D462-Y468 HydrophobicContact CB-CD1 4.08Å; D462-Y468 HydrophobicContact CB-CE1 3.73Å; D462-Y468 WeakPolarHBondContact OD2-CE1 3.32Å; D462-Y468 PolarHBondContact OD2-OH 2.88Å
463L93Very high92.4Very high67 Ų6774.1 Ų74.135%0.35141%0.406SS..  trans-84.5-4.7-179.4-63.1-179.6000112.8I461 N465 L467 R469 E476I461-L463 PolarHBondContact O-N 3.43Å; L463-N465 WeakPolarHBondContact CB-OD1 3.5Å; L463-N465 PolarHBondContact O-N 3.12Å; L463-L467 WeakPolarHBondContact CB-O 3.41Å; L463-L467 HydrophobicContact CD1-CB 4.37Å; L463-L467 PolarHBondContact N-O 3.35Å; L463-R469 HydrophobicContact CD1-CB 4.06Å; L463-R469 HydrophobicContact CD2-CB 3.95Å; L463-R469 HydrophobicContact CG-CB 4.02Å; L463-E476 HydrophobicContact CD1-CG 3.98Å
464G90.4Very high92.5Very high72 Ų7276.7 Ų76.774%0.74243%0.43SS*.SBendtrans72.52.1-179.700000114.7D462D462-G464 VanDerWaalsContact C-N 3.3Å; D462-G464 PolarHBondContact OD1-N 3.44Å
465N92.7Very high92.5Very high104 Ų10473.8 Ų73.856%0.55641%0.411SS*.SBendtrans-107.114.1176.566.1-3.2000112.6L463 L467L463-N465 WeakPolarHBondContact CB-OD1 3.5Å; L463-N465 PolarHBondContact O-N 3.12Å; N465-L467 WeakPolarHBondContact OD1-CB 3.37Å; N465-L467 PolarHBondContact OD1-N 3.26Å
466G89.4Confident92.7Very high51 Ų5174.8 Ų74.853%0.52640%0.397SS..SBendtrans84.24-174.300000114.7
467L93.2Very high92.7Very high55 Ų5575.6 Ų75.629%0.28840%0.402SS..  trans-113.1147.2175.4-57.3175.6000111.9L463 N465 E476 P478L463-L467 WeakPolarHBondContact CB-O 3.41Å; L463-L467 HydrophobicContact CD1-CB 4.37Å; L463-L467 PolarHBondContact N-O 3.35Å; N465-L467 WeakPolarHBondContact OD1-CB 3.37Å; N465-L467 PolarHBondContact OD1-N 3.26Å; L467-E476 HydrophobicContact CD1-CB 4.47Å; L467-P478 HydrophobicContact CD2-CB 4.1Å
468Y93.4Very high92.7Very high38 Ų3876.5 Ų76.515%0.14941%0.412CS..EExtended strand (participates in β ladder)trans-108.4126.1175.4-67.9-75.5000110.5Q449 V460 I461 D462 E476 T477 C480Q449-Y468 PolarHBondContact NE2-OH 2.89Å; Q449-Y468 VanDerWaalsContact NE2-OH 3.14Å; V460-Y468 HydrophobicContact CB-CD1 4.45Å; V460-Y468 HydrophobicContact CG2-CD1 3.73Å; V460-Y468 HydrophobicContact CG2-CG 4.07Å; I461-Y468 WeakPolarHBondContact O-CA 3.43Å; D462-Y468 HydrophobicContact CB-CD1 4.08Å; D462-Y468 HydrophobicContact CB-CE1 3.73Å; D462-Y468 WeakPolarHBondContact OD2-CE1 3.32Å; D462-Y468 PolarHBondContact OD2-OH 2.88Å; Y468-E476 CarbonylContact O-C 3.6Å; Y468-E476 VanDerWaalsContact O-CA 3.29Å; Y468-E476 WeakPolarHBondContact O-CA 3.26Å; Y468-T477 PolarHBondContact N-O 3.33Å; Y468-T477 PolarHBondContact O-N 3.05Å; Y468-C480 HydrophobicContact CD1-CB 4.42Å; Y468-C480 HydrophobicContact CD2-CB 3.89Å; Y468-C480 HydrophobicContact CE2-CB 4.22Å; Y468-C480 HydrophobicContact CG-CB 4.01Å
469R94.8Very high92.6Very high113 Ų11376.4 Ų76.443%0.42642%0.416SS..EExtended strand (participates in β ladder)trans-96.2123.9177.5-170.7172.9176.1120.9-6.9111.4V460 I461 L463 E476V460-R469 WeakPolarHBondContact CA-O 3.44Å; I461-R469 PolarHBondContact N-O 2.93Å; I461-R469 PolarHBondContact O-N 2.97Å; L463-R469 HydrophobicContact CD1-CB 4.06Å; L463-R469 HydrophobicContact CD2-CB 3.95Å; L463-R469 HydrophobicContact CG-CB 4.02Å; R469-E476 HydrophobicContact CB-CG 4.12Å; R469-E476 HydrophobicContact CG-CG 4.06Å; R469-E476 IonicContact CZ-OE1 3.83Å; R469-E476 IonicContact NH1-OE1 2.79Å; R469-E476 PolarHBondContact NH1-OE1 2.85Å
470C94.5Very high92.4Very high1 Ų171.3 Ų71.31%0.00740%0.397CS..EExtended strand (participates in β ladder)trans-98.4114.5168.8-1770000110.8C451 C456 V460 K472 C473 A474 R475C451-C470 HydrophobicContact CB-CB 3.92Å; C451-C470 VanDerWaalsContact CB-SG 3.57Å; C451-C470 VanDerWaalsContact SG-SG 3.62Å; C456-C470 VanDerWaalsContact SG-SG 3.67Å; V460-C470 HydrophobicContact CG1-CB 4.04Å; C470-K472 VanDerWaalsContact C-N 3.32Å; C470-K472 PolarHBondContact O-N 2.87Å; C470-C473 HydrophobicContact CB-CB 4.13Å; C470-C473 PolarHBondContact O-N 2.85Å; C470-C473 PolarHBondContact SG-N 3.02Å; C470-A474 VanDerWaalsContact O-CA 3.31Å; C470-A474 WeakPolarHBondContact O-CA 3.48Å; C470-A474 PolarHBondContact O-N 2.89Å; C470-R475 PolarHBondContact N-O 3.42Å; C470-R475 PolarHBondContact O-N 2.79Å
471E93.2Very high92.3Very high117 Ų11773.6 Ų73.655%0.54741%0.406SS..THydrogen-bonded Turntrans-65.6-30.4177-67.4-176.7156.500114.1K458 I461K458-E471 HydrophobicContact CD-CB 4.38Å; K458-E471 VanDerWaalsContact CE-OE2 3.3Å; K458-E471 WeakPolarHBondContact CE-OE2 3.35Å; K458-E471 VanDerWaalsContact NZ-CB 3.33Å; K458-E471 IonicContact NZ-OE2 2.72Å; K458-E471 PolarHBondContact NZ-OE2 3.28Å; I461-E471 HydrophobicContact CD1-CG 4.12Å
472K92Very high92.3Very high145 Ų14572.1 Ų72.163%0.6340%0.396SS*.THydrogen-bonded Turntrans-74.3-37.6179.9-178.3177.9-179.1-172.40111.6K458 C470K458-K472 HydrophobicContact CB-CB 4.07Å; K458-K472 HydrophobicContact CD-CB 3.57Å; K458-K472 HydrophobicContact CG-CB 4.42Å; C470-K472 VanDerWaalsContact C-N 3.32Å; C470-K472 PolarHBondContact O-N 2.87Å
473C91.8Very high92.4Very high32 Ų3270.5 Ų70.522%0.21638%0.383CS..THydrogen-bonded Turntrans-93.6-7.7-179.1-69.40000113.1C470 R475C470-C473 HydrophobicContact CB-CB 4.13Å; C470-C473 PolarHBondContact O-N 2.85Å; C470-C473 PolarHBondContact SG-N 3.02Å; C473-R475 HydrophobicContact CB-CB 4.33Å; C473-R475 WeakPolarHBondContact O-CG 3.38Å; C473-R475 PolarHBondContact O-N 3.04Å
474A92.2Very high92.6Very high84 Ų8467.3 Ų67.369%0.69437%0.367SS*.THydrogen-bonded Turntrans47.139.8-172.200000113.1C470C470-A474 VanDerWaalsContact O-CA 3.31Å; C470-A474 WeakPolarHBondContact O-CA 3.48Å; C470-A474 PolarHBondContact O-N 2.89Å
475R89.7Confident92.9Very high127 Ų12766.7 Ų66.748%0.47935%0.346SS..EExtended strand (participates in β ladder)trans-125.3148.1-176.1-81.5-176.5-81.6-176-2.7111.2C470 C473C470-R475 PolarHBondContact N-O 3.42Å; C470-R475 PolarHBondContact O-N 2.79Å; C473-R475 HydrophobicContact CB-CB 4.33Å; C473-R475 WeakPolarHBondContact O-CG 3.38Å; C473-R475 PolarHBondContact O-N 3.04Å
476E93.5Very high93.1Very high91 Ų9161.8 Ų61.843%0.42532%0.32SS..EExtended strand (participates in β ladder)trans-110.9122.5173.2-66.6176.8-172.200107.9L463 L467 Y468 R469L463-E476 HydrophobicContact CD1-CG 3.98Å; L467-E476 HydrophobicContact CD1-CB 4.47Å; Y468-E476 CarbonylContact O-C 3.6Å; Y468-E476 VanDerWaalsContact O-CA 3.29Å; Y468-E476 WeakPolarHBondContact O-CA 3.26Å; R469-E476 HydrophobicContact CB-CG 4.12Å; R469-E476 HydrophobicContact CG-CG 4.06Å; R469-E476 IonicContact CZ-OE1 3.83Å; R469-E476 IonicContact NH1-OE1 2.79Å; R469-E476 PolarHBondContact NH1-OE1 2.85Å
477T90.6Very high93.4Very high21 Ų2162.2 Ų62.213%0.12931%0.309CS..EExtended strand (participates in β ladder)trans-128.2142.4-176.1560000110Y468 D479Y468-T477 PolarHBondContact N-O 3.33Å; Y468-T477 PolarHBondContact O-N 3.05Å; T477-D479 WeakPolarHBondContact CB-OD1 3.46Å; T477-D479 PolarHBondContact O-N 2.69Å; T477-D479 PolarHBondContact OG1-O 3.16Å
478P92.5Very high93.6Very high95 Ų9559.6 Ų59.662%0.61730%0.295SS*.SBendtrans-70.6-21.9175.430.4-34.8000112L467L467-P478 HydrophobicContact CD2-CB 4.1Å
479D90.2Very high93.8Very high84 Ų8460.3 Ų60.345%0.44930%0.299SS..  trans-103.8147.4-177.860.7-54.1000112.2S452 T477S452-D479 WeakPolarHBondContact CB-OD2 3.33Å; S452-D479 PolarHBondContact OG-OD2 3.19Å; T477-D479 WeakPolarHBondContact CB-OD1 3.46Å; T477-D479 PolarHBondContact O-N 2.69Å; T477-D479 PolarHBondContact OG1-O 3.16Å
480C91.3Very high93.9Very high33 Ų3354.9 Ų54.922%0.22328%0.279CS..EExtended strand (participates in β ladder)trans-137157.5169.768.90000109.8Q449 V460 Y468Q449-C480 HydrophobicContact CB-CB 4.21Å; V460-C480 HydrophobicContact CG2-CB 4.05Å; Y468-C480 HydrophobicContact CD1-CB 4.42Å; Y468-C480 HydrophobicContact CD2-CB 3.89Å; Y468-C480 HydrophobicContact CE2-CB 4.22Å; Y468-C480 HydrophobicContact CG-CB 4.01Å
481K92.6Very high94.1Very high55 Ų5555.9 Ų55.924%0.23929%0.287CS..EExtended strand (participates in β ladder)trans-108.2140.9175.271.4-171.1-177.4-1550110.7A450 C451 C456 N457 R483A450-K481 HydrophobicContact CB-CG 3.99Å; A450-K481 PolarHBondContact N-O 2.82Å; A450-K481 PolarHBondContact O-N 3.41Å; C451-K481 WeakPolarHBondContact O-CD 3.46Å; C451-K481 WeakPolarHBondContact O-CE 3.42Å; C451-K481 PolarHBondContact O-NZ 3.25Å; C456-K481 WeakPolarHBondContact O-CE 3.33Å; C456-K481 PolarHBondContact O-NZ 3.32Å; N457-K481 PolarHBondContact OD1-NZ 2.86Å; K481-R483 HydrophobicContact CG-CG 4.46Å
482W94.4Very high94.2Very high49 Ų4951.9 Ų51.919%0.18627%0.269CS..EExtended strand (participates in β ladder)trans-77.8134.6174.2-72.3108.1000110.8M447 Q449 A514M447-W482 HydrophobicContact CE-CB 3.67Å; M447-W482 HydrophobicContact CE-CD2 3.43Å; M447-W482 VanDerWaalsContact CE-CD2 3.43Å; M447-W482 HydrophobicContact CE-CE3 3.29Å; M447-W482 HydrophobicContact CE-CG 3.62Å; M447-W482 HydrophobicContact CE-CZ3 4.03Å; M447-W482 HydrophobicContact CG-CE3 4.04Å; M447-W482 HydrophobicContact CG-CZ3 4.09Å; M447-W482 HydrophobicContact SD-CE3 4.24Å; M447-W482 HydrophobicContact SD-CZ3 4.46Å; Q449-W482 HydrophobicContact CG-CD2 4.3Å; Q449-W482 HydrophobicContact CG-CE3 3.91Å; Q449-W482 HydrophobicContact CG-CH2 3.61Å; Q449-W482 HydrophobicContact CG-CZ2 4Å; Q449-W482 HydrophobicContact CG-CZ3 3.56Å; W482-A514 HydrophobicContact CB-CB 4.4Å; W482-A514 WeakPolarHBondContact CB-O 3.42Å; W482-A514 WeakPolarHBondContact O-CB 3.47Å
483R95.1Very high94.3Very high46 Ų4652.6 Ų52.617%0.17428%0.278CS..EExtended strand (participates in β ladder)trans-128.5142172.5-69.7-172.467.376.4-0.7111.4M447 Y448 A450 N457 K481 Q503M447-R483 CarbonylContact C-O 3.56Å; M447-R483 WeakPolarHBondContact CA-O 3.49Å; M447-R483 WeakPolarHBondContact CB-O 3.28Å; Y448-R483 HydrophobicContact CD1-CB 4.39Å; Y448-R483 WeakPolarHBondContact CD1-O 3.41Å; Y448-R483 HydrophobicContact CE1-CB 3.79Å; Y448-R483 HydrophobicContact CE2-CB 4.04Å; Y448-R483 PolarHBondContact N-O 3.1Å; Y448-R483 PolarHBondContact O-N 2.89Å; Y448-R483 PolarHBondContact OH-NE 3.09Å; A450-R483 HydrophobicContact CB-CB 4.3Å; A450-R483 VanDerWaalsContact CB-CD 3.47Å; A450-R483 HydrophobicContact CB-CG 3.73Å; N457-R483 PolarHBondContact OD1-NH1 3.01Å; K481-R483 HydrophobicContact CG-CG 4.46Å; R483-Q503 VanDerWaalsContact CA-OE1 3.25Å
484L96.4Very high94.4Very high1 Ų152.8 Ų52.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-86.2140.9177.5-63.2166.8000111.4F446 M447 Q503 A506 E507 L510 A514 L517F446-L484 HydrophobicContact CD2-CD2 3.82Å; F446-L484 HydrophobicContact CE2-CD2 4.05Å; M447-L484 HydrophobicContact CB-CD2 4.04Å; L484-Q503 PolarHBondContact O-N 3.03Å; L484-A506 HydrophobicContact CB-CB 3.66Å; L484-A506 HydrophobicContact CD1-CB 3.75Å; L484-A506 HydrophobicContact CG-CB 4.3Å; L484-E507 HydrophobicContact CD1-CB 4.5Å; L484-E507 HydrophobicContact CD1-CG 3.57Å; L484-L510 HydrophobicContact CD1-CD1 4.32Å; L484-L510 HydrophobicContact CD2-CD1 4.28Å; L484-A514 HydrophobicContact CD1-CB 4.14Å; L484-A514 HydrophobicContact CG-CB 3.83Å; L484-L517 HydrophobicContact CD1-CD1 4.23Å; L484-L517 HydrophobicContact CD2-CD1 3.85Å
485L96.4Very high94.4Very high59 Ų5950.1 Ų50.131%0.30926%0.259SS..EExtended strand (participates in β ladder)trans-141.375.1168.9-179.161.9000107.1F446 Y448 T500 F502F446-L485 CarbonylContact C-O 3.53Å; F446-L485 WeakPolarHBondContact CA-O 3.24Å; F446-L485 CarbonylContact O-C 3.49Å; F446-L485 VanDerWaalsContact O-C 3.31Å; F446-L485 PolarHBondContact O-N 3.19Å; Y448-L485 HydrophobicContact CD1-CB 4.12Å; Y448-L485 HydrophobicContact CE1-CB 4Å; L485-T500 HydrophobicContact CD1-CG2 3.62Å; L485-F502 HydrophobicContact CD1-CD1 3.85Å; L485-F502 HydrophobicContact CD1-CE1 3.59Å; L485-F502 HydrophobicContact CD1-CZ 4.35Å
486L96.9Very high94.7Very high0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-85129.6-173.1177.768.2000110.1M441 F446 C501 A506 L510 F533M441-L486 HydrophobicContact CB-CD1 4.17Å; M441-L486 HydrophobicContact CG-CD1 4.32Å; M441-L486 HydrophobicContact CG-CD2 4.4Å; M441-L486 HydrophobicContact SD-CD1 4.5Å; M441-L486 HydrophobicContact SD-CD2 3.96Å; F446-L486 HydrophobicContact CB-CD1 4.1Å; L486-C501 HydrophobicContact CB-CB 4.17Å; L486-C501 PolarHBondContact N-O 3.4Å; L486-C501 PolarHBondContact O-N 2.91Å; L486-A506 HydrophobicContact CB-CB 3.85Å; L486-A506 HydrophobicContact CD2-CB 4.25Å; L486-L510 HydrophobicContact CD2-CD1 4.2Å; L486-L510 HydrophobicContact CD2-CD2 4.34Å; L486-L510 HydrophobicContact CD2-CG 4.1Å; L486-F533 HydrophobicContact CD1-CE1 3.97Å
487M96.8Very high94.8Very high60 Ų6044.7 Ų44.730%0.29624%0.243SC..EExtended strand (participates in β ladder)trans-98.9116167-63.7-167.280.600109.1K442 W498K442-M487 HydrophobicContact CB-CB 4.25Å; K442-M487 HydrophobicContact CD-CB 4.01Å; K442-M487 HydrophobicContact CD-SD 4.08Å; K442-M487 HydrophobicContact CG-CB 4.26Å; K442-M487 PolarHBondContact N-O 3.32Å; M487-W498 HydrophobicContact CB-CE3 4.44Å; M487-W498 HydrophobicContact CB-CZ3 4.29Å
488A97.3Very high95.1Very high0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-117.3147.5-179.800000110.8V438 F440 M441 W498 V499V438-A488 HydrophobicContact CG1-CB 4.46Å; F440-A488 CarbonylContact O-C 3.52Å; F440-A488 WeakPolarHBondContact O-CA 3.29Å; M441-A488 HydrophobicContact CG-CB 3.95Å; A488-W498 WeakPolarHBondContact O-CA 3.47Å; A488-V499 HydrophobicContact CB-CG2 4.15Å; A488-V499 PolarHBondContact N-O 3.34Å; A488-V499 WeakPolarHBondContact O-CG2 3.26Å; A488-V499 PolarHBondContact O-N 2.8Å
489K97.5Very high95.3Very high53 Ų5344 Ų4423%0.2323%0.225CC..EExtended strand (participates in β ladder)trans-104.7116.1170.2-169.9177.2-179.7-179.30107.6V439 F440 D496 L497 W498V439-K489 PolarHBondContact N-O 2.9Å; F440-K489 HydrophobicContact CB-CB 4.07Å; F440-K489 PolarHBondContact N-O 3.09Å; F440-K489 PolarHBondContact O-N 2.89Å; K489-D496 VanDerWaalsContact CE-CB 3.43Å; K489-D496 VanDerWaalsContact CE-OD1 3.28Å; K489-D496 WeakPolarHBondContact CE-OD1 3.3Å; K489-D496 WeakPolarHBondContact CE-OD2 3.45Å; K489-D496 HydrophobicContact CG-CB 4.4Å; K489-D496 IonicContact NZ-OD1 2.77Å; K489-D496 PolarHBondContact NZ-OD1 3.29Å; K489-D496 IonicContact NZ-OD2 2.77Å; K489-D496 PolarHBondContact NZ-OD2 2.74Å; K489-L497 WeakPolarHBondContact CA-O 3.47Å; K489-W498 HydrophobicContact CB-CD2 4.1Å; K489-W498 HydrophobicContact CB-CE3 4.08Å; K489-W498 HydrophobicContact CB-CH2 4.28Å; K489-W498 HydrophobicContact CB-CZ2 4.26Å; K489-W498 HydrophobicContact CB-CZ3 4.16Å; K489-W498 HydrophobicContact CD-CZ2 4.28Å; K489-W498 HydrophobicContact CG-CD2 4.41Å
490I97.9Very high95.7Very high0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-106.4149.2178.561.7172.9000109.8L415 A436 T437 V438 D496 L497 V499 F543 L545L415-I490 HydrophobicContact CD1-CG1 4.14Å; L415-I490 HydrophobicContact CD2-CD1 3.9Å; L415-I490 HydrophobicContact CD2-CG1 4.29Å; A436-I490 HydrophobicContact CB-CB 3.95Å; A436-I490 HydrophobicContact CB-CD1 4.06Å; A436-I490 HydrophobicContact CB-CG1 4.28Å; T437-I490 CarbonylContact O-C 3.44Å; T437-I490 VanDerWaalsContact O-CA 3.26Å; T437-I490 WeakPolarHBondContact O-CA 3.41Å; V438-I490 HydrophobicContact CG2-CG2 4.19Å; I490-D496 CarbonylContact O-C 3.51Å; I490-D496 VanDerWaalsContact O-CA 3.22Å; I490-D496 WeakPolarHBondContact O-CA 3.29Å; I490-L497 HydrophobicContact CG1-CB 4.29Å; I490-L497 WeakPolarHBondContact CG1-O 3.19Å; I490-L497 PolarHBondContact N-O 3.39Å; I490-L497 PolarHBondContact O-N 3.05Å; I490-V499 HydrophobicContact CD1-CG1 3.68Å; I490-V499 HydrophobicContact CD1-CG2 4.33Å; I490-V499 HydrophobicContact CG1-CG1 4Å; I490-V499 HydrophobicContact CG1-CG2 4.36Å; I490-V499 HydrophobicContact CG2-CG2 4.01Å; I490-F543 HydrophobicContact CD1-CD2 4.27Å; I490-F543 HydrophobicContact CD1-CG 4.39Å; I490-F543 HydrophobicContact CG2-CE1 4.25Å; I490-F543 HydrophobicContact CG2-CE2 3.98Å; I490-F543 HydrophobicContact CG2-CZ 3.72Å; I490-L545 HydrophobicContact CD1-CD1 3.92Å; I490-L545 HydrophobicContact CD1-CD2 4.45Å
491A97.9Very high95.9Very high21 Ų2139 Ų3917%0.17420%0.197CC..EExtended strand (participates in β ladder)trans-137.4149.7178.600000112.8A436 T437 V439 G495 D496A436-A491 CarbonylContact C-O 3.52Å; A436-A491 WeakPolarHBondContact CA-O 3.46Å; A436-A491 WeakPolarHBondContact CB-O 3.47Å; T437-A491 PolarHBondContact N-O 2.88Å; T437-A491 PolarHBondContact O-N 3.18Å; V439-A491 HydrophobicContact CG2-CB 3.43Å; V439-A491 VanDerWaalsContact CG2-CB 3.43Å; A491-G495 CarbonylContact C-O 3.59Å; A491-G495 WeakPolarHBondContact CA-O 3.48Å; A491-G495 WeakPolarHBondContact CB-O 3.38Å; A491-D496 HydrophobicContact CB-CB 4.02Å
492D96Very high96Very high33 Ų3340.6 Ų40.618%0.17620%0.204CC..EExtended strand (participates in β ladder)trans-132.1-167.8170.174.14.6000109.9L414 L415 T494 G495L414-D492 WeakPolarHBondContact CA-OD2 3.48Å; L415-D492 HydrophobicContact CD1-CB 4.16Å; L415-D492 HydrophobicContact CG-CB 4.27Å; L415-D492 PolarHBondContact N-OD2 2.9Å; D492-T494 PolarHBondContact O-N 2.98Å; D492-T494 VanDerWaalsContact O-N 3.16Å; D492-T494 WeakPolarHBondContact OD1-CA 3.32Å; D492-T494 WeakPolarHBondContact OD1-CB 2.8Å; D492-T494 PolarHBondContact OD1-N 3.04Å; D492-T494 PolarHBondContact OD1-OG1 3.45Å; D492-T494 PolarHBondContact OD2-OG1 2.9Å; D492-G495 PolarHBondContact N-O 2.61Å; D492-G495 PolarHBondContact O-N 2.97Å; D492-G495 PolarHBondContact OD1-N 2.97Å
493I93.7Very high96Very high160 Ų16039.3 Ų39.382%0.82120%0.2SC*.THydrogen-bonded Turntrans-64.7-14.7-179.659.7171000114.2L414L414-I493 HydrophobicContact CD2-CD1 4.36Å; L414-I493 HydrophobicContact CD2-CG1 4.15Å
494T94.1Very high96Very high37 Ų3743 Ų4323%0.22722%0.223CC..THydrogen-bonded Turntrans-104-12.3-175.567.40000113.9L414 L415 Q416 D492L414-T494 HydrophobicContact CB-CG2 3.62Å; L414-T494 HydrophobicContact CD1-CG2 3.45Å; L414-T494 VanDerWaalsContact CD1-CG2 3.45Å; L414-T494 HydrophobicContact CD2-CG2 4.19Å; L414-T494 HydrophobicContact CG-CG2 3.92Å; L415-T494 PolarHBondContact N-OG1 3.38Å; Q416-T494 HydrophobicContact CB-CG2 4.31Å; Q416-T494 WeakPolarHBondContact CB-OG1 3.41Å; Q416-T494 PolarHBondContact N-OG1 3.27Å; D492-T494 PolarHBondContact O-N 2.98Å; D492-T494 VanDerWaalsContact O-N 3.16Å; D492-T494 WeakPolarHBondContact OD1-CA 3.32Å; D492-T494 WeakPolarHBondContact OD1-CB 2.8Å; D492-T494 PolarHBondContact OD1-N 3.04Å; D492-T494 PolarHBondContact OD1-OG1 3.45Å; D492-T494 PolarHBondContact OD2-OG1 2.9Å
495G92.7Very high95.9Very high28 Ų2843.4 Ų43.429%0.28923%0.227SC..EExtended strand (participates in β ladder)trans148.2-153176.800000112.3A491 D492A491-G495 CarbonylContact C-O 3.59Å; A491-G495 WeakPolarHBondContact CA-O 3.48Å; A491-G495 WeakPolarHBondContact CB-O 3.38Å; D492-G495 PolarHBondContact N-O 2.61Å; D492-G495 PolarHBondContact O-N 2.97Å; D492-G495 PolarHBondContact OD1-N 2.97Å
496D95.7Very high95.9Very high73 Ų7340.6 Ų40.639%0.3921%0.212SC..EExtended strand (participates in β ladder)trans-132.3159.3-175.568-126000112.8K489 I490 A491K489-D496 VanDerWaalsContact CE-CB 3.43Å; K489-D496 VanDerWaalsContact CE-OD1 3.28Å; K489-D496 WeakPolarHBondContact CE-OD1 3.3Å; K489-D496 WeakPolarHBondContact CE-OD2 3.45Å; K489-D496 HydrophobicContact CG-CB 4.4Å; K489-D496 IonicContact NZ-OD1 2.77Å; K489-D496 PolarHBondContact NZ-OD1 3.29Å; K489-D496 IonicContact NZ-OD2 2.77Å; K489-D496 PolarHBondContact NZ-OD2 2.74Å; I490-D496 CarbonylContact O-C 3.51Å; I490-D496 VanDerWaalsContact O-CA 3.22Å; I490-D496 WeakPolarHBondContact O-CA 3.29Å; A491-D496 HydrophobicContact CB-CB 4.02Å
497L95.4Very high95.9Very high31 Ų3143.1 Ų43.116%0.16222%0.224CC..EExtended strand (participates in β ladder)trans-148.9137.7-177.7-17664000111.1L415 V418 K489 I490 V499 L545 V560L415-L497 HydrophobicContact CD1-CB 4.3Å; L415-L497 HydrophobicContact CD2-CB 4.13Å; L415-L497 HydrophobicContact CD2-CD2 3.95Å; V418-L497 HydrophobicContact CB-CD2 4.46Å; V418-L497 HydrophobicContact CG1-CD1 4.28Å; V418-L497 HydrophobicContact CG1-CD2 4.26Å; V418-L497 HydrophobicContact CG2-CD2 4.02Å; K489-L497 WeakPolarHBondContact CA-O 3.47Å; I490-L497 HydrophobicContact CG1-CB 4.29Å; I490-L497 WeakPolarHBondContact CG1-O 3.19Å; I490-L497 PolarHBondContact N-O 3.39Å; I490-L497 PolarHBondContact O-N 3.05Å; L497-V499 HydrophobicContact CD2-CG1 4.2Å; L497-V499 HydrophobicContact CG-CG1 4.21Å; L497-L545 HydrophobicContact CD2-CD1 4.35Å; L497-V560 HydrophobicContact CD1-CG2 4.3Å; L497-V560 HydrophobicContact CD2-CB 4.32Å; L497-V560 HydrophobicContact CD2-CG1 4.04Å; L497-V560 HydrophobicContact CD2-CG2 4.16Å
498W96.5Very high95.8Very high99 Ų9943.3 Ų43.338%0.37523%0.229SC..EExtended strand (participates in β ladder)trans-82.9129.8168.6-78.299.3000110.8F440 K442 M487 A488 K489F440-W498 AromaticContact CD1-CH2 3.48Å; F440-W498 HydrophobicContact CD1-CH2 3.48Å; F440-W498 VanDerWaalsContact CD1-CH2 3.48Å; F440-W498 HydrophobicContact CD1-CZ2 4.23Å; F440-W498 HydrophobicContact CD1-CZ3 4.2Å; F440-W498 AromaticContact CE1-CH2 3.73Å; F440-W498 HydrophobicContact CE1-CH2 3.73Å; K442-W498 HydrophobicContact CD-CH2 4.26Å; K442-W498 HydrophobicContact CD-CZ3 4.21Å; K442-W498 HydrophobicContact CG-CH2 3.85Å; K442-W498 HydrophobicContact CG-CZ3 3.86Å; M487-W498 HydrophobicContact CB-CE3 4.44Å; M487-W498 HydrophobicContact CB-CZ3 4.29Å; A488-W498 WeakPolarHBondContact O-CA 3.47Å; K489-W498 HydrophobicContact CB-CD2 4.1Å; K489-W498 HydrophobicContact CB-CE3 4.08Å; K489-W498 HydrophobicContact CB-CH2 4.28Å; K489-W498 HydrophobicContact CB-CZ2 4.26Å; K489-W498 HydrophobicContact CB-CZ3 4.16Å; K489-W498 HydrophobicContact CD-CZ2 4.28Å; K489-W498 HydrophobicContact CG-CD2 4.41Å
499V97.1Very high95.7Very high1 Ų143.6 Ų43.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-127.4148.8179.4-60.60000111.2A488 I490 L497 L545 V560 V562A488-V499 HydrophobicContact CB-CG2 4.15Å; A488-V499 PolarHBondContact N-O 3.34Å; A488-V499 WeakPolarHBondContact O-CG2 3.26Å; A488-V499 PolarHBondContact O-N 2.8Å; I490-V499 HydrophobicContact CD1-CG1 3.68Å; I490-V499 HydrophobicContact CD1-CG2 4.33Å; I490-V499 HydrophobicContact CG1-CG1 4Å; I490-V499 HydrophobicContact CG1-CG2 4.36Å; I490-V499 HydrophobicContact CG2-CG2 4.01Å; L497-V499 HydrophobicContact CD2-CG1 4.2Å; L497-V499 HydrophobicContact CG-CG1 4.21Å; V499-L545 HydrophobicContact CG1-CD2 3.97Å; V499-V560 WeakPolarHBondContact CA-O 3.45Å; V499-V560 HydrophobicContact CG1-CB 4.33Å; V499-V560 HydrophobicContact CG1-CG1 3.97Å; V499-V562 HydrophobicContact CB-CG2 3.89Å; V499-V562 HydrophobicContact CG2-CG2 3.74Å
500T97.2Very high95.6Very high13 Ų1341.3 Ų41.38%0.0822%0.22CC..EExtended strand (participates in β ladder)trans-98.4125.1171.6-52.10000109.6L485 F502 V560 V561 V562L485-T500 HydrophobicContact CD1-CG2 3.62Å; T500-F502 HydrophobicContact CG2-CE2 4.37Å; T500-F502 HydrophobicContact CG2-CZ 4.33Å; T500-V560 PolarHBondContact N-O 3.04Å; T500-V561 WeakPolarHBondContact O-CA 3.27Å; T500-V562 PolarHBondContact O-N 3.32Å
501C96.8Very high95.5Very high0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-110.4117.7175.4-49.90000108.8L486 A505 A506 L509 V562L486-C501 HydrophobicContact CB-CB 4.17Å; L486-C501 PolarHBondContact N-O 3.4Å; L486-C501 PolarHBondContact O-N 2.91Å; C501-A505 HydrophobicContact CB-CB 4.25Å; C501-A506 HydrophobicContact CB-CB 4.13Å; C501-L509 HydrophobicContact CB-CD1 4.35Å; C501-L509 VanDerWaalsContact SG-CD1 3.58Å; C501-V562 WeakPolarHBondContact SG-CG2 3.39Å
502F95.2Very high95.3Very high89 Ų8945.4 Ų45.439%0.3925%0.251SS..EExtended strand (participates in β ladder)trans-81.5173.1170.4-68.6-74.8000110.6L485 T500 D504 A505 A506 V561L485-F502 HydrophobicContact CD1-CD1 3.85Å; L485-F502 HydrophobicContact CD1-CE1 3.59Å; L485-F502 HydrophobicContact CD1-CZ 4.35Å; T500-F502 HydrophobicContact CG2-CE2 4.37Å; T500-F502 HydrophobicContact CG2-CZ 4.33Å; F502-D504 PolarHBondContact O-N 3.34Å; F502-D504 VanDerWaalsContact O-N 3.17Å; F502-A505 PolarHBondContact O-N 2.78Å; F502-A506 WeakPolarHBondContact O-CB 3.48Å; F502-A506 PolarHBondContact O-N 3.32Å; F502-V561 HydrophobicContact CD2-CG1 3.75Å; F502-V561 HydrophobicContact CE2-CG1 3.57Å; F502-V561 HydrophobicContact CE2-CG2 4.38Å
503Q94.1Very high95.3Very high22 Ų2247.1 Ų47.110%0.10326%0.263CS..Hα-helixtrans-20.7-74.9-179.9-169.672.414.900114.8R483 L484 A505 A506 E507R483-Q503 VanDerWaalsContact CA-OE1 3.25Å; L484-Q503 PolarHBondContact O-N 3.03Å; Q503-A505 PolarHBondContact O-N 3.49Å; Q503-A506 PolarHBondContact O-N 3.46Å; Q503-E507 PolarHBondContact NE2-OE1 2.74Å; Q503-E507 WeakPolarHBondContact O-CG 3.42Å; Q503-E507 PolarHBondContact O-N 3.13Å
504D93.5Very high95.4Very high123 Ų12339.6 Ų39.666%0.65822%0.224SC*.Hα-helixtrans-61.2-46.5-168.5-47.1-15.8000111.8F502 A506 V508F502-D504 PolarHBondContact O-N 3.34Å; F502-D504 VanDerWaalsContact O-N 3.17Å; D504-A506 VanDerWaalsContact C-N 3.34Å; D504-A506 PolarHBondContact O-N 2.61Å; D504-V508 WeakPolarHBondContact O-CG2 3.45Å; D504-V508 PolarHBondContact O-N 3Å
505A94.9Very high95.3Very high10 Ų1044.7 Ų44.78%0.08325%0.245CC..Hα-helixtrans-67.1-35.4176.600000112.4C501 F502 Q503 L509 V562 V565C501-A505 HydrophobicContact CB-CB 4.25Å; F502-A505 PolarHBondContact O-N 2.78Å; Q503-A505 PolarHBondContact O-N 3.49Å; A505-L509 VanDerWaalsContact O-CG 3.26Å; A505-L509 WeakPolarHBondContact O-CG 3.28Å; A505-L509 PolarHBondContact O-N 3.1Å; A505-L509 VanDerWaalsContact O-N 3.1Å; A505-V562 HydrophobicContact CB-CB 4.24Å; A505-V562 HydrophobicContact CB-CG1 3.83Å; A505-V565 HydrophobicContact CB-CG1 3.94Å
506A96.7Very high95.4Very high0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-71.3-39179.700000112.2L484 L486 C501 F502 Q503 D504 L509 L510L484-A506 HydrophobicContact CB-CB 3.66Å; L484-A506 HydrophobicContact CD1-CB 3.75Å; L484-A506 HydrophobicContact CG-CB 4.3Å; L486-A506 HydrophobicContact CB-CB 3.85Å; L486-A506 HydrophobicContact CD2-CB 4.25Å; C501-A506 HydrophobicContact CB-CB 4.13Å; F502-A506 WeakPolarHBondContact O-CB 3.48Å; F502-A506 PolarHBondContact O-N 3.32Å; Q503-A506 PolarHBondContact O-N 3.46Å; D504-A506 VanDerWaalsContact C-N 3.34Å; D504-A506 PolarHBondContact O-N 2.61Å; A506-L509 PolarHBondContact O-N 2.78Å; A506-L510 WeakPolarHBondContact O-CB 3.35Å; A506-L510 WeakPolarHBondContact O-CG 3.42Å; A506-L510 PolarHBondContact O-N 2.93Å
507E96.2Very high95.3Very high52 Ų5244.8 Ų44.824%0.24323%0.234CC..Hα-helixtrans-64.6-41.3175.2-68.7-171.3157.200111.5L484 Q503 L510 G511 Q512 T513 A514L484-E507 HydrophobicContact CD1-CB 4.5Å; L484-E507 HydrophobicContact CD1-CG 3.57Å; Q503-E507 PolarHBondContact NE2-OE1 2.74Å; Q503-E507 WeakPolarHBondContact O-CG 3.42Å; Q503-E507 PolarHBondContact O-N 3.13Å; E507-L510 PolarHBondContact O-N 3.45Å; E507-G511 WeakPolarHBondContact O-CA 3.3Å; E507-G511 PolarHBondContact O-N 2.94Å; E507-Q512 PolarHBondContact O-N 2.83Å; E507-T513 WeakPolarHBondContact OE1-CA 3.36Å; E507-A514 PolarHBondContact OE1-N 3.31Å
508V95.3Very high95.2Very high65 Ų6543.3 Ų43.339%0.39423%0.227SC..Hα-helixtrans-61.6-45.6175.2173.80000111.1D504 W541 V565D504-V508 WeakPolarHBondContact O-CG2 3.45Å; D504-V508 PolarHBondContact O-N 3Å; V508-W541 HydrophobicContact CG1-CE3 4.35Å; V508-W541 HydrophobicContact CG1-CH2 4.03Å; V508-W541 HydrophobicContact CG1-CZ3 3.68Å; V508-V565 HydrophobicContact CB-CG1 3.88Å; V508-V565 HydrophobicContact CG1-CG1 3.81Å
509L95.9Very high95Very high5 Ų542.8 Ų42.83%0.02624%0.235CC..Hα-helixtrans-67.6-36.5180-72.7177.2000113.3V438 C501 A505 A506 S536 W541 F543 V565V438-L509 HydrophobicContact CG2-CD2 3.96Å; C501-L509 HydrophobicContact CB-CD1 4.35Å; C501-L509 VanDerWaalsContact SG-CD1 3.58Å; A505-L509 VanDerWaalsContact O-CG 3.26Å; A505-L509 WeakPolarHBondContact O-CG 3.28Å; A505-L509 PolarHBondContact O-N 3.1Å; A505-L509 VanDerWaalsContact O-N 3.1Å; A506-L509 PolarHBondContact O-N 2.78Å; L509-S536 WeakPolarHBondContact O-CB 3.36Å; L509-S536 PolarHBondContact O-OG 3.08Å; L509-W541 HydrophobicContact CD2-CD2 4Å; L509-W541 HydrophobicContact CD2-CG 3.94Å; L509-W541 HydrophobicContact CD2-CZ2 4.45Å; L509-F543 HydrophobicContact CD1-CE1 4.25Å; L509-F543 HydrophobicContact CD2-CE1 4.08Å; L509-F543 HydrophobicContact CD2-CZ 4.1Å; L509-V565 HydrophobicContact CD2-CG2 3.92Å; L509-V565 HydrophobicContact CG-CG2 4.48Å
510L95.9Very high94.7Very high5 Ų543.3 Ų43.33%0.02624%0.237CC..Hα-helixtrans-88-14-178.6-67.1171.9000113.6M441 L484 L486 A506 E507 Q512 L517 V532 F533 S536M441-L510 HydrophobicContact SD-CD2 3.95Å; L484-L510 HydrophobicContact CD1-CD1 4.32Å; L484-L510 HydrophobicContact CD2-CD1 4.28Å; L486-L510 HydrophobicContact CD2-CD1 4.2Å; L486-L510 HydrophobicContact CD2-CD2 4.34Å; L486-L510 HydrophobicContact CD2-CG 4.1Å; A506-L510 WeakPolarHBondContact O-CB 3.35Å; A506-L510 WeakPolarHBondContact O-CG 3.42Å; A506-L510 PolarHBondContact O-N 2.93Å; E507-L510 PolarHBondContact O-N 3.45Å; L510-Q512 PolarHBondContact O-N 2.86Å; L510-Q512 VanDerWaalsContact O-N 3.16Å; L510-L517 HydrophobicContact CB-CD1 4.44Å; L510-L517 HydrophobicContact CD1-CD1 3.67Å; L510-V532 HydrophobicContact CB-CG1 4.33Å; L510-V532 HydrophobicContact CD2-CG1 4.3Å; L510-F533 HydrophobicContact CD2-CD1 4.25Å; L510-F533 HydrophobicContact CD2-CE1 4.16Å; L510-S536 WeakPolarHBondContact CA-OG 3.31Å; L510-S536 PolarHBondContact O-OG 2.94Å
511G94.5Very high94.3Very high56 Ų5646.5 Ų46.558%0.57725%0.25SC*.THydrogen-bonded Turntrans62.118.2-175.100000114.3E507E507-G511 WeakPolarHBondContact O-CA 3.3Å; E507-G511 PolarHBondContact O-N 2.94Å
512Q94.1Very high93.9Very high51 Ų5150.4 Ų50.424%0.23828%0.277CS..SBendtrans-140.6143.2-178-59-60.8-25.500110.4E507 L510 K516 L517 V532E507-Q512 PolarHBondContact O-N 2.83Å; L510-Q512 PolarHBondContact O-N 2.86Å; L510-Q512 VanDerWaalsContact O-N 3.16Å; Q512-K516 VanDerWaalsContact OE1-CD 3.22Å; Q512-K516 VanDerWaalsContact OE1-CE 3.23Å; Q512-L517 HydrophobicContact CB-CD1 4.15Å; Q512-L517 HydrophobicContact CB-CD2 4.01Å; Q512-L517 HydrophobicContact CB-CG 3.87Å; Q512-L517 HydrophobicContact CG-CD2 4.38Å; Q512-V532 HydrophobicContact CG-CG1 4.09Å; Q512-V532 HydrophobicContact CG-CG2 4.17Å
513T95.7Very high93.7Very high70 Ų7050.7 Ų50.743%0.42929%0.286SS..  trans-68.4151.1173.759.20000111.6E507 E515 K516 L517E507-T513 WeakPolarHBondContact OE1-CA 3.36Å; T513-E515 PolarHBondContact O-N 2.84Å; T513-K516 PolarHBondContact O-N 3.48Å; T513-K516 WeakPolarHBondContact OG1-CB 3.47Å; T513-K516 PolarHBondContact OG1-N 2.71Å; T513-L517 PolarHBondContact O-N 3.29Å; T513-L517 VanDerWaalsContact O-N 3.13Å
514A95Very high93.4Very high1 Ų157.6 Ų57.61%0.00832%0.319CS..Hα-helixtrans-58.9-33.3176.200000113.7W482 L484 E507 G518W482-A514 HydrophobicContact CB-CB 4.4Å; W482-A514 WeakPolarHBondContact CB-O 3.42Å; W482-A514 WeakPolarHBondContact O-CB 3.47Å; L484-A514 HydrophobicContact CD1-CB 4.14Å; L484-A514 HydrophobicContact CG-CB 3.83Å; E507-A514 PolarHBondContact OE1-N 3.31Å; A514-G518 PolarHBondContact O-N 3.02Å
515E93.4Very high93.2Very high144 Ų14454.1 Ų54.167%0.67330%0.3SS*.Hα-helixtrans-63-52.2177.9-67.5-178.2176.800111.4T513 L517 G518 T519T513-E515 PolarHBondContact O-N 2.84Å; E515-L517 VanDerWaalsContact C-N 3.35Å; E515-L517 PolarHBondContact O-N 2.69Å; E515-G518 CarbonylContact O-C 3.58Å; E515-G518 WeakPolarHBondContact O-CA 3.28Å; E515-G518 PolarHBondContact O-N 2.8Å; E515-T519 PolarHBondContact O-N 2.95Å; E515-T519 PolarHBondContact O-OG1 3.31Å
516K94Very high92.9Very high104 Ų10461.1 Ų61.145%0.45233%0.331SS..Hα-helixtrans-59.5-43177-176.4169.9169.6-166.90112.6Q512 T513 G518 T519 I520Q512-K516 VanDerWaalsContact OE1-CD 3.22Å; Q512-K516 VanDerWaalsContact OE1-CE 3.23Å; T513-K516 PolarHBondContact O-N 3.48Å; T513-K516 WeakPolarHBondContact OG1-CB 3.47Å; T513-K516 PolarHBondContact OG1-N 2.71Å; K516-G518 VanDerWaalsContact C-N 3.26Å; K516-G518 PolarHBondContact O-N 3.11Å; K516-T519 PolarHBondContact O-N 3.4Å; K516-I520 HydrophobicContact CG-CD1 4.31Å; K516-I520 WeakPolarHBondContact O-CG1 3.47Å; K516-I520 PolarHBondContact O-N 3.46Å
517L94.5Very high92.7Very high0 Ų066.3 Ų66.30%036%0.363CS..Hα-helixtrans-63.5-34.9174.7-69.1172.2000111.9F446 M447 L484 L510 Q512 T513 E515 I520 K521 L529 V532F446-L517 HydrophobicContact CE2-CD1 4.49Å; M447-L517 HydrophobicContact CE-CB 4.42Å; L484-L517 HydrophobicContact CD1-CD1 4.23Å; L484-L517 HydrophobicContact CD2-CD1 3.85Å; L510-L517 HydrophobicContact CB-CD1 4.44Å; L510-L517 HydrophobicContact CD1-CD1 3.67Å; Q512-L517 HydrophobicContact CB-CD1 4.15Å; Q512-L517 HydrophobicContact CB-CD2 4.01Å; Q512-L517 HydrophobicContact CB-CG 3.87Å; Q512-L517 HydrophobicContact CG-CD2 4.38Å; T513-L517 PolarHBondContact O-N 3.29Å; T513-L517 VanDerWaalsContact O-N 3.13Å; E515-L517 VanDerWaalsContact C-N 3.35Å; E515-L517 PolarHBondContact O-N 2.69Å; L517-I520 PolarHBondContact O-N 3.04Å; L517-K521 WeakPolarHBondContact O-CB 3.4Å; L517-K521 PolarHBondContact O-N 2.86Å; L517-L529 HydrophobicContact CD2-CD1 4.33Å; L517-V532 HydrophobicContact CD2-CG1 4.21Å
518G92.7Very high92.6Very high0 Ų068.6 Ų68.60%037%0.374CS..Hα-helixtrans-65.7-42.4174.300000112.6A514 E515 K516 K521 S522A514-G518 PolarHBondContact O-N 3.02Å; E515-G518 CarbonylContact O-C 3.58Å; E515-G518 WeakPolarHBondContact O-CA 3.28Å; E515-G518 PolarHBondContact O-N 2.8Å; K516-G518 VanDerWaalsContact C-N 3.26Å; K516-G518 PolarHBondContact O-N 3.11Å; G518-K521 PolarHBondContact O-N 2.98Å; G518-S522 WeakPolarHBondContact O-CB 3.39Å; G518-S522 PolarHBondContact O-N 3.12Å; G518-S522 PolarHBondContact O-OG 2.95Å
519T92.4Very high92.4Very high88 Ų8866.9 Ų66.954%0.5436%0.362SS..Hα-helixtrans-60-49.5173.4-53.70000111.4E515 K516 K521 S522 T523E515-T519 PolarHBondContact O-N 2.95Å; E515-T519 PolarHBondContact O-OG1 3.31Å; K516-T519 PolarHBondContact O-N 3.4Å; T519-K521 VanDerWaalsContact C-N 3.26Å; T519-K521 PolarHBondContact O-N 3.03Å; T519-S522 PolarHBondContact O-N 2.95Å; T519-S522 VanDerWaalsContact O-N 3.13Å; T519-T523 HydrophobicContact CG2-CG2 4.45Å; T519-T523 WeakPolarHBondContact O-CG2 3.43Å; T519-T523 PolarHBondContact O-N 3.11Å; T519-T523 PolarHBondContact O-OG1 2.79Å; T519-T523 VanDerWaalsContact O-OG1 3.14Å
520I91.7Very high92.3Very high11 Ų1171.1 Ų71.16%0.05638%0.382CS..Hα-helixtrans-57.1-42.4178.2-66.8166000110.9K516 L517 T523 Q524 D525 Q528 L529K516-I520 HydrophobicContact CG-CD1 4.31Å; K516-I520 WeakPolarHBondContact O-CG1 3.47Å; K516-I520 PolarHBondContact O-N 3.46Å; L517-I520 PolarHBondContact O-N 3.04Å; I520-T523 PolarHBondContact O-N 2.88Å; I520-T523 PolarHBondContact O-OG1 3.19Å; I520-Q524 PolarHBondContact O-N 2.93Å; I520-D525 HydrophobicContact CG2-CB 4.31Å; I520-D525 WeakPolarHBondContact CG2-O 3.29Å; I520-D525 PolarHBondContact O-N 2.68Å; I520-Q528 HydrophobicContact CG2-CB 4.03Å; I520-L529 HydrophobicContact CG2-CB 4.01Å
521K88.9Confident92.2Very high80 Ų8076.7 Ų76.735%0.34841%0.406SS..Hα-helixtrans-67-41.8177.5-172.8175.6-179.9177.60112.2M447 L517 G518 T519 T523 Q524M447-K521 HydrophobicContact CG-CD 3.99Å; M447-K521 HydrophobicContact SD-CB 4.29Å; M447-K521 HydrophobicContact SD-CD 3.54Å; M447-K521 VanDerWaalsContact SD-CD 3.54Å; L517-K521 WeakPolarHBondContact O-CB 3.4Å; L517-K521 PolarHBondContact O-N 2.86Å; G518-K521 PolarHBondContact O-N 2.98Å; T519-K521 VanDerWaalsContact C-N 3.26Å; T519-K521 PolarHBondContact O-N 3.03Å; K521-T523 VanDerWaalsContact C-N 3.34Å; K521-Q524 PolarHBondContact O-N 3.19Å
522S87.2Confident92.2Very high83 Ų8374.6 Ų74.658%0.5838%0.382SS*.Hα-helixtrans-67.7-32.3177.6-72.60000112.9G518 T519 Q524G518-S522 WeakPolarHBondContact O-CB 3.39Å; G518-S522 PolarHBondContact O-N 3.12Å; G518-S522 PolarHBondContact O-OG 2.95Å; T519-S522 PolarHBondContact O-N 2.95Å; T519-S522 VanDerWaalsContact O-N 3.13Å; S522-Q524 PolarHBondContact O-N 2.73Å
523T91.1Very high92.3Very high94 Ų9472.6 Ų72.658%0.57737%0.372SS*.THydrogen-bonded Turntrans-80.6-0.2174.457.20000113.5T519 I520 K521 D525T519-T523 HydrophobicContact CG2-CG2 4.45Å; T519-T523 WeakPolarHBondContact O-CG2 3.43Å; T519-T523 PolarHBondContact O-N 3.11Å; T519-T523 PolarHBondContact O-OG1 2.79Å; T519-T523 VanDerWaalsContact O-OG1 3.14Å; I520-T523 PolarHBondContact O-N 2.88Å; I520-T523 PolarHBondContact O-OG1 3.19Å; K521-T523 VanDerWaalsContact C-N 3.34Å; T523-D525 PolarHBondContact O-N 2.94Å
524Q87.3Confident92.2Very high168 Ų16874.5 Ų74.579%0.78538%0.378SS*.THydrogen-bonded Turntrans54.732.4-176.6-60-177.7-16.500113.6I520 K521 S522 E526I520-Q524 PolarHBondContact O-N 2.93Å; K521-Q524 PolarHBondContact O-N 3.19Å; S522-Q524 PolarHBondContact O-N 2.73Å; Q524-E526 PolarHBondContact O-N 3.19Å; Q524-E526 VanDerWaalsContact O-N 3.08Å
525D89.9Confident92.1Very high50 Ų5079.9 Ų79.927%0.26740%0.404SS..  trans-85.580.1176.8-169.6-21.7000110.1I520 T523 T527 Q528 L529I520-D525 HydrophobicContact CG2-CB 4.31Å; I520-D525 WeakPolarHBondContact CG2-O 3.29Å; I520-D525 PolarHBondContact O-N 2.68Å; T523-D525 PolarHBondContact O-N 2.94Å; D525-T527 PolarHBondContact O-N 3Å; D525-T527 PolarHBondContact OD1-N 2.89Å; D525-Q528 HydrophobicContact CB-CB 4.4Å; D525-Q528 PolarHBondContact O-N 2.79Å; D525-Q528 PolarHBondContact OD1-N 3.29Å; D525-Q528 WeakPolarHBondContact OD2-CG 3.48Å; D525-Q528 PolarHBondContact OD2-NE2 3.29Å; D525-L529 PolarHBondContact O-N 3.35Å
526E89.4Confident92.2Very high156 Ų15673.4 Ų73.473%0.72937%0.374SS*.Hα-helixtrans-64-29.3-178.5-64.5-168.415800112.8Q524 L529 E530Q524-E526 PolarHBondContact O-N 3.19Å; Q524-E526 VanDerWaalsContact O-N 3.08Å; E526-L529 PolarHBondContact O-N 3.4Å; E526-E530 VanDerWaalsContact O-CB 3.29Å; E526-E530 WeakPolarHBondContact O-CB 3.47Å; E526-E530 PolarHBondContact O-N 2.78Å
527T92.7Very high92.2Very high109 Ų10969.3 Ų69.367%0.66936%0.36SS*.Hα-helixtrans-69.7-44.9-178.9-58.80000111.1D525 L529 E530 K531D525-T527 PolarHBondContact O-N 3Å; D525-T527 PolarHBondContact OD1-N 2.89Å; T527-L529 VanDerWaalsContact C-N 3.33Å; T527-E530 PolarHBondContact O-N 2.92Å; T527-K531 WeakPolarHBondContact O-CB 3.41Å; T527-K531 PolarHBondContact O-N 3.31Å
528Q92.3Very high92.3Very high101 Ų10176.5 Ų76.547%0.47239%0.391SS..Hα-helixtrans-64.2-40.7174-75.6-170.736.500111.8I520 D525 K531 V532I520-Q528 HydrophobicContact CG2-CB 4.03Å; D525-Q528 HydrophobicContact CB-CB 4.4Å; D525-Q528 PolarHBondContact O-N 2.79Å; D525-Q528 PolarHBondContact OD1-N 3.29Å; D525-Q528 WeakPolarHBondContact OD2-CG 3.48Å; D525-Q528 PolarHBondContact OD2-NE2 3.29Å; Q528-K531 PolarHBondContact O-N 3.25Å; Q528-V532 WeakPolarHBondContact O-CG2 3.5Å; Q528-V532 PolarHBondContact O-N 3.39Å
529L92.2Very high92.4Very high28 Ų2879.8 Ų79.815%0.14741%0.409CS..Hα-helixtrans-61.7-48.3177.8-171.964.6000110.8F446 L517 I520 D525 E526 T527 K531 V532 F533F446-L529 HydrophobicContact CE1-CD2 4.3Å; F446-L529 HydrophobicContact CZ-CD1 3.83Å; F446-L529 HydrophobicContact CZ-CD2 4.36Å; L517-L529 HydrophobicContact CD2-CD1 4.33Å; I520-L529 HydrophobicContact CG2-CB 4.01Å; D525-L529 PolarHBondContact O-N 3.35Å; E526-L529 PolarHBondContact O-N 3.4Å; T527-L529 VanDerWaalsContact C-N 3.33Å; L529-K531 VanDerWaalsContact C-N 3.32Å; L529-K531 PolarHBondContact O-N 3.36Å; L529-V532 PolarHBondContact O-N 3.38Å; L529-F533 HydrophobicContact CD1-CD2 4.27Å; L529-F533 HydrophobicContact CD1-CE2 3.78Å; L529-F533 HydrophobicContact CG-CD2 4.15Å; L529-F533 HydrophobicContact CG-CE2 3.93Å; L529-F533 VanDerWaalsContact O-CD2 3.3Å; L529-F533 WeakPolarHBondContact O-CD2 3.47Å; L529-F533 PolarHBondContact O-N 3.34Å
530E93Very high92.6Very high94 Ų9477.8 Ų77.844%0.43940%0.399SS..Hα-helixtrans-58.1-43.5177.6174.5149.9-117.800112.3K443 E526 T527 V532 F533 I534K443-E530 IonicContact NZ-OE1 3.12Å; K443-E530 PolarHBondContact NZ-OE1 3.29Å; E526-E530 VanDerWaalsContact O-CB 3.29Å; E526-E530 WeakPolarHBondContact O-CB 3.47Å; E526-E530 PolarHBondContact O-N 2.78Å; T527-E530 PolarHBondContact O-N 2.92Å; E530-V532 VanDerWaalsContact C-N 3.33Å; E530-V532 PolarHBondContact O-N 3.14Å; E530-F533 PolarHBondContact O-N 3.43Å; E530-I534 HydrophobicContact CG-CD1 3.56Å; E530-I534 HydrophobicContact CG-CG1 4.2Å; E530-I534 WeakPolarHBondContact O-CG1 3.24Å; E530-I534 PolarHBondContact O-N 3.45Å
531K94.3Very high92.9Very high123 Ų12379.2 Ų79.254%0.53540%0.403SS..Hα-helixtrans-55.2-46.5176.1-177.6177.9174.5179.80112.1T527 Q528 L529 F533 I534 E535T527-K531 WeakPolarHBondContact O-CB 3.41Å; T527-K531 PolarHBondContact O-N 3.31Å; Q528-K531 PolarHBondContact O-N 3.25Å; L529-K531 VanDerWaalsContact C-N 3.32Å; L529-K531 PolarHBondContact O-N 3.36Å; K531-F533 PolarHBondContact O-N 3.17Å; K531-I534 PolarHBondContact O-N 3.05Å; K531-E535 WeakPolarHBondContact CE-OE1 3.27Å; K531-E535 HydrophobicContact CG-CG 4.38Å; K531-E535 IonicContact NZ-OE1 3.85Å; K531-E535 WeakPolarHBondContact O-CB 3.41Å; K531-E535 WeakPolarHBondContact O-CG 3.41Å; K531-E535 PolarHBondContact O-N 3.19Å
532V94.8Very high93.1Very high12 Ų1276.7 Ų76.77%0.07339%0.394CS..Hα-helixtrans-59.2-45.9178.3174.50000111.3L510 Q512 L517 Q528 L529 E530 E535 S536L510-V532 HydrophobicContact CB-CG1 4.33Å; L510-V532 HydrophobicContact CD2-CG1 4.3Å; Q512-V532 HydrophobicContact CG-CG1 4.09Å; Q512-V532 HydrophobicContact CG-CG2 4.17Å; L517-V532 HydrophobicContact CD2-CG1 4.21Å; Q528-V532 WeakPolarHBondContact O-CG2 3.5Å; Q528-V532 PolarHBondContact O-N 3.39Å; L529-V532 PolarHBondContact O-N 3.38Å; E530-V532 VanDerWaalsContact C-N 3.33Å; E530-V532 PolarHBondContact O-N 3.14Å; V532-E535 PolarHBondContact O-N 3.07Å; V532-S536 VanDerWaalsContact O-CB 3.26Å; V532-S536 WeakPolarHBondContact O-CB 3.32Å; V532-S536 PolarHBondContact O-N 2.96Å; V532-S536 PolarHBondContact O-OG 3.02Å
533F94.9Very high93.4Very high9 Ų972.8 Ų72.84%0.03937%0.366CS..Hα-helixtrans-66.6-37.3179.8-81.2-84.4000112.7M441 K443 F446 L486 L510 L529 E530 K531 A537M441-F533 HydrophobicContact CB-CD1 3.73Å; M441-F533 HydrophobicContact CB-CE1 3.91Å; M441-F533 HydrophobicContact CE-CD1 4.19Å; M441-F533 WeakPolarHBondContact CE-O 3.45Å; M441-F533 HydrophobicContact SD-CD1 4.35Å; K443-F533 HydrophobicContact CG-CD1 4.17Å; K443-F533 HydrophobicContact CG-CD2 4.06Å; K443-F533 HydrophobicContact CG-CE1 4.3Å; K443-F533 HydrophobicContact CG-CE2 4.21Å; K443-F533 HydrophobicContact CG-CG 4.05Å; K443-F533 HydrophobicContact CG-CZ 4.33Å; F446-F533 HydrophobicContact CB-CZ 4.45Å; F446-F533 HydrophobicContact CD1-CZ 4.18Å; F446-F533 AromaticContact CD2-CZ 3.97Å; F446-F533 HydrophobicContact CD2-CZ 3.97Å; F446-F533 HydrophobicContact CE1-CE2 4.47Å; F446-F533 HydrophobicContact CE1-CZ 4.4Å; F446-F533 HydrophobicContact CE2-CE2 4.46Å; F446-F533 HydrophobicContact CE2-CZ 4.22Å; F446-F533 AromaticContact CG-CZ 3.94Å; F446-F533 HydrophobicContact CG-CZ 3.94Å; F446-F533 HydrophobicContact CZ-CE2 4.37Å; F446-F533 HydrophobicContact CZ-CZ 4.42Å; L486-F533 HydrophobicContact CD1-CE1 3.97Å; L510-F533 HydrophobicContact CD2-CD1 4.25Å; L510-F533 HydrophobicContact CD2-CE1 4.16Å; L529-F533 HydrophobicContact CD1-CD2 4.27Å; L529-F533 HydrophobicContact CD1-CE2 3.78Å; L529-F533 HydrophobicContact CG-CD2 4.15Å; L529-F533 HydrophobicContact CG-CE2 3.93Å; L529-F533 VanDerWaalsContact O-CD2 3.3Å; L529-F533 WeakPolarHBondContact O-CD2 3.47Å; L529-F533 PolarHBondContact O-N 3.34Å; E530-F533 PolarHBondContact O-N 3.43Å; K531-F533 PolarHBondContact O-N 3.17Å; F533-A537 PolarHBondContact O-N 3.47Å
534I93.8Very high93.4Very high109 Ų10972.4 Ų72.456%0.55935%0.354SS*.Hα-helixtrans-65.9-47.4176.6-69.6170.7000110.6E530 K531 S536 A537E530-I534 HydrophobicContact CG-CD1 3.56Å; E530-I534 HydrophobicContact CG-CG1 4.2Å; E530-I534 WeakPolarHBondContact O-CG1 3.24Å; E530-I534 PolarHBondContact O-N 3.45Å; K531-I534 PolarHBondContact O-N 3.05Å; I534-S536 VanDerWaalsContact C-N 3.26Å; I534-S536 PolarHBondContact O-N 3.32Å; I534-A537 PolarHBondContact O-N 2.65Å
535E94.4Very high93.7Very high115 Ų11564.4 Ų64.454%0.53732%0.316SS..Hα-helixtrans-66-29.1179.9-72.3176.3171.300112.8K531 V532 N539K531-E535 WeakPolarHBondContact CE-OE1 3.27Å; K531-E535 HydrophobicContact CG-CG 4.38Å; K531-E535 IonicContact NZ-OE1 3.85Å; K531-E535 WeakPolarHBondContact O-CB 3.41Å; K531-E535 WeakPolarHBondContact O-CG 3.41Å; K531-E535 PolarHBondContact O-N 3.19Å; V532-E535 PolarHBondContact O-N 3.07Å; E535-N539 PolarHBondContact O-ND2 2.94Å
536S95.1Very high93.8Very high7 Ų765.8 Ų65.85%0.04932%0.318CS..Hα-helixtrans-81.1-22.8179.6-58.10000113M441 L509 L510 V532 I534 N539M441-S536 VanDerWaalsContact CE-CB 3.46Å; L509-S536 WeakPolarHBondContact O-CB 3.36Å; L509-S536 PolarHBondContact O-OG 3.08Å; L510-S536 WeakPolarHBondContact CA-OG 3.31Å; L510-S536 PolarHBondContact O-OG 2.94Å; V532-S536 VanDerWaalsContact O-CB 3.26Å; V532-S536 WeakPolarHBondContact O-CB 3.32Å; V532-S536 PolarHBondContact O-N 2.96Å; V532-S536 PolarHBondContact O-OG 3.02Å; I534-S536 VanDerWaalsContact C-N 3.26Å; I534-S536 PolarHBondContact O-N 3.32Å; S536-N539 PolarHBondContact O-ND2 2.99Å
537A94.6Very high93.8Very high19 Ų1958.3 Ų58.316%0.15728%0.283CS..THydrogen-bonded Turntrans-72.7157.6177.600000111.9M441 F533 I534 N539M441-A537 HydrophobicContact CE-CB 4.35Å; F533-A537 PolarHBondContact O-N 3.47Å; I534-A537 PolarHBondContact O-N 2.65Å; A537-N539 PolarHBondContact O-N 3.5Å; A537-N539 VanDerWaalsContact O-N 3.1Å
538F95.3Very high93.8Very high151 Ų15156.3 Ų56.366%0.66227%0.265SS*.THydrogen-bonded Turntrans60.113.7-180-63-77.9000116.6V438 V439V438-F538 WeakPolarHBondContact O-CA 3.46Å; V438-F538 PolarHBondContact O-N 2.75Å; V439-F538 HydrophobicContact CG1-CE1 4.38Å; V439-F538 HydrophobicContact CG1-CZ 4.5Å
539N96Very high93.6Very high68 Ų6853 Ų5336%0.36425%0.251SS..  trans-86.1134.8169.4-64.2-51.8000111.3T437 V438 E535 S536 A537 W541T437-N539 WeakPolarHBondContact CA-O 3.27Å; V438-N539 PolarHBondContact N-O 2.74Å; V438-N539 VanDerWaalsContact N-O 3.07Å; E535-N539 PolarHBondContact O-ND2 2.94Å; S536-N539 PolarHBondContact O-ND2 2.99Å; A537-N539 PolarHBondContact O-N 3.5Å; A537-N539 VanDerWaalsContact O-N 3.1Å; N539-W541 HydrophobicContact CB-CZ2 4.5Å; N539-W541 VanDerWaalsContact O-CD1 3.24Å
540S96.4Very high93.3Very high47 Ų4754.4 Ų54.433%0.32926%0.259SS..EExtended strand (participates in β ladder)trans-89.1139.7175.2-630000111.9A436 T437 V568A436-S540 WeakPolarHBondContact O-CA 3.24Å; T437-S540 PolarHBondContact OG1-OG 2.84Å; S540-V568 WeakPolarHBondContact O-CG2 3.27Å
541W97.1Very high92.9Very high40 Ų4059.3 Ų59.315%0.15227%0.274CS..EExtended strand (participates in β ladder)trans-138.7161.2-179.9-5685000111K435 A436 V508 L509 N539 F543 V565 P567K435-W541 WeakPolarHBondContact CA-O 3.31Å; A436-W541 PolarHBondContact N-O 2.76Å; A436-W541 PolarHBondContact O-N 2.93Å; V508-W541 HydrophobicContact CG1-CE3 4.35Å; V508-W541 HydrophobicContact CG1-CH2 4.03Å; V508-W541 HydrophobicContact CG1-CZ3 3.68Å; L509-W541 HydrophobicContact CD2-CD2 4Å; L509-W541 HydrophobicContact CD2-CG 3.94Å; L509-W541 HydrophobicContact CD2-CZ2 4.45Å; N539-W541 HydrophobicContact CB-CZ2 4.5Å; N539-W541 VanDerWaalsContact O-CD1 3.24Å; W541-F543 HydrophobicContact CB-CD2 4.17Å; W541-F543 HydrophobicContact CB-CE1 4.43Å; W541-F543 HydrophobicContact CB-CE2 3.64Å; W541-F543 HydrophobicContact CB-CZ 3.78Å; W541-F543 HydrophobicContact CG-CE2 4.42Å; W541-F543 HydrophobicContact CG-CZ 4.19Å; W541-V565 HydrophobicContact CB-CG2 3.69Å; W541-V565 HydrophobicContact CD2-CG2 4.06Å; W541-V565 HydrophobicContact CE3-CG2 3.95Å; W541-V565 HydrophobicContact CG-CG2 3.97Å; W541-P567 HydrophobicContact CZ3-CB 4.35Å
542I93.2Very high92Very high28 Ų2861.9 Ų61.914%0.14428%0.282CS..EExtended strand (participates in β ladder)trans-93.2112.7164.9-55.8-51.4000107.8W412 T433 K435 V565 K566 V568 Y573W412-I542 HydrophobicContact CH2-CD1 3.72Å; W412-I542 HydrophobicContact CH2-CG1 4.23Å; W412-I542 HydrophobicContact CH2-CG2 3.76Å; W412-I542 HydrophobicContact CZ2-CG2 4.27Å; W412-I542 HydrophobicContact CZ3-CD1 3.97Å; W412-I542 HydrophobicContact CZ3-CG2 4.3Å; T433-I542 HydrophobicContact CG2-CG2 3.57Å; K435-I542 HydrophobicContact CB-CD1 3.69Å; K435-I542 HydrophobicContact CG-CD1 3.96Å; I542-V565 WeakPolarHBondContact O-CA 3.43Å; I542-K566 PolarHBondContact N-O 3.5Å; I542-K566 PolarHBondContact O-N 2.81Å; I542-V568 HydrophobicContact CD1-CG1 4.28Å; I542-V568 HydrophobicContact CD1-CG2 3.92Å; I542-V568 HydrophobicContact CG1-CG2 4.09Å; I542-Y573 HydrophobicContact CD1-CD2 4.32Å
543F94.3Very high91.3Very high0 Ų067.4 Ų67.40%031%0.311CS..EExtended strand (participates in β ladder)trans-98.8136.1179.1-66.3-86000110.4T433 C434 A436 V438 I490 L509 W541 L545 V562 V565T433-F543 CarbonylContact C-O 3.59Å; T433-F543 WeakPolarHBondContact CA-O 3.47Å; C434-F543 PolarHBondContact N-O 2.76Å; C434-F543 PolarHBondContact O-N 3.22Å; A436-F543 HydrophobicContact CB-CD2 3.88Å; A436-F543 HydrophobicContact CB-CE2 3.94Å; A436-F543 WeakPolarHBondContact O-CE2 3.27Å; V438-F543 HydrophobicContact CG2-CZ 3.94Å; I490-F543 HydrophobicContact CD1-CD2 4.27Å; I490-F543 HydrophobicContact CD1-CG 4.39Å; I490-F543 HydrophobicContact CG2-CE1 4.25Å; I490-F543 HydrophobicContact CG2-CE2 3.98Å; I490-F543 HydrophobicContact CG2-CZ 3.72Å; L509-F543 HydrophobicContact CD1-CE1 4.25Å; L509-F543 HydrophobicContact CD2-CE1 4.08Å; L509-F543 HydrophobicContact CD2-CZ 4.1Å; W541-F543 HydrophobicContact CB-CD2 4.17Å; W541-F543 HydrophobicContact CB-CE1 4.43Å; W541-F543 HydrophobicContact CB-CE2 3.64Å; W541-F543 HydrophobicContact CB-CZ 3.78Å; W541-F543 HydrophobicContact CG-CE2 4.42Å; W541-F543 HydrophobicContact CG-CZ 4.19Å; F543-L545 HydrophobicContact CB-CD1 4.43Å; F543-L545 HydrophobicContact CB-CD2 3.92Å; F543-L545 HydrophobicContact CB-CG 3.95Å; F543-V562 HydrophobicContact CD1-CG1 3.99Å; F543-V562 HydrophobicContact CD1-CG2 4.07Å; F543-V562 HydrophobicContact CE1-CG2 4.43Å; F543-V565 HydrophobicContact CD1-CB 4.27Å; F543-V565 HydrophobicContact CD1-CG2 3.92Å; F543-V565 HydrophobicContact CE1-CB 4.4Å; F543-V565 HydrophobicContact CE1-CG2 3.75Å; F543-V565 HydrophobicContact CZ-CG2 4.33Å
544R91.3Very high90.5Very high86 Ų8675.1 Ų75.133%0.32535%0.352SS..EExtended strand (participates in β ladder)trans-101.3115.3159-170.4175.2177.8170.8-0108F432 A563 D564F432-R544 CarbonylContact O-C 3.48Å; F432-R544 WeakPolarHBondContact O-CA 3.47Å; R544-A563 HydrophobicContact CG-CB 4.49Å; R544-A563 WeakPolarHBondContact O-CB 3.35Å; R544-A563 PolarHBondContact O-N 2.84Å; R544-D564 HydrophobicContact CB-CB 4Å; R544-D564 PolarHBondContact N-O 2.85Å; R544-D564 PolarHBondContact O-N 2.88Å
545L92.6Very high90Very high0 Ų077.2 Ų77.20%036%0.359CS..EExtended strand (participates in β ladder)trans-108.7141.3-172.1-62.4178.4000110.5L415 Y431 F432 I490 L497 V499 F543 V560 V562L415-L545 HydrophobicContact CD2-CD1 4.19Å; Y431-L545 VanDerWaalsContact CA-O 3.3Å; Y431-L545 WeakPolarHBondContact CA-O 3.49Å; F432-L545 HydrophobicContact CD1-CB 4.09Å; F432-L545 HydrophobicContact CE1-CB 3.55Å; F432-L545 HydrophobicContact CE1-CD1 4.26Å; F432-L545 HydrophobicContact CE2-CB 4.1Å; F432-L545 HydrophobicContact CE2-CD1 3.59Å; F432-L545 HydrophobicContact CE2-CG 4.32Å; F432-L545 HydrophobicContact CZ-CB 3.54Å; F432-L545 HydrophobicContact CZ-CD1 3.36Å; F432-L545 HydrophobicContact CZ-CG 4.03Å; F432-L545 PolarHBondContact N-O 2.82Å; F432-L545 PolarHBondContact O-N 3.37Å; I490-L545 HydrophobicContact CD1-CD1 3.92Å; I490-L545 HydrophobicContact CD1-CD2 4.45Å; L497-L545 HydrophobicContact CD2-CD1 4.35Å; V499-L545 HydrophobicContact CG1-CD2 3.97Å; F543-L545 HydrophobicContact CB-CD1 4.43Å; F543-L545 HydrophobicContact CB-CD2 3.92Å; F543-L545 HydrophobicContact CB-CG 3.95Å; L545-V560 HydrophobicContact CB-CG1 3.96Å; L545-V560 HydrophobicContact CD1-CG1 4.32Å; L545-V560 HydrophobicContact CD2-CG1 4.23Å; L545-V560 HydrophobicContact CG-CG1 4.39Å; L545-V562 HydrophobicContact CD2-CB 4.42Å; L545-V562 HydrophobicContact CD2-CG2 3.81Å
546R91.4Very high89.5Confident79 Ų7977.3 Ų77.330%0.29836%0.36SS..EExtended strand (participates in β ladder)trans-112.4114.9172.6-179.7-174.9-175.5-102.56.8109A429 D430 Y431 V560 V561A429-R546 HydrophobicContact CB-CG 3.7Å; D430-R546 CarbonylContact O-C 3.55Å; D430-R546 VanDerWaalsContact O-CA 3.28Å; D430-R546 WeakPolarHBondContact O-CA 3.38Å; Y431-R546 HydrophobicContact CD1-CB 4Å; Y431-R546 HydrophobicContact CD1-CG 4.29Å; Y431-R546 HydrophobicContact CE1-CB 3.7Å; Y431-R546 HydrophobicContact CE1-CG 3.73Å; Y431-R546 HydrophobicContact CE2-CG 4.1Å; Y431-R546 VanDerWaalsContact OH-CD 3.25Å; Y431-R546 WeakPolarHBondContact OH-CD 3.2Å; Y431-R546 PolarHBondContact OH-NE 2.98Å; Y431-R546 VanDerWaalsContact OH-NE 3.12Å; R546-V560 WeakPolarHBondContact O-CA 3.47Å; R546-V561 PolarHBondContact N-O 2.82Å; R546-V561 PolarHBondContact O-N 2.81Å
547A91.1Very high89.2Confident0 Ų085.8 Ų85.80%039%0.391CS..EExtended strand (participates in β ladder)trans-102.3124.8176.800000110V423 A429 D430 F432 L558 V560V423-A547 HydrophobicContact CG1-CB 3.8Å; A429-A547 WeakPolarHBondContact CA-O 3.46Å; A429-A547 WeakPolarHBondContact CB-O 3.35Å; D430-A547 HydrophobicContact CB-CB 4Å; D430-A547 PolarHBondContact N-O 2.94Å; D430-A547 PolarHBondContact O-N 3.07Å; F432-A547 HydrophobicContact CE1-CB 4.47Å; A547-L558 HydrophobicContact CB-CD1 4Å; A547-V560 HydrophobicContact CB-CG2 4.26Å
548K91.1Very high88.9Confident67 Ų6787.8 Ų87.829%0.29140%0.399SS..EExtended strand (participates in β ladder)trans-143.6135.7174.6-168.2178.5-179.8-1780109.8A429 D550 R559A429-K548 HydrophobicContact CB-CB 3.98Å; A429-K548 HydrophobicContact CB-CD 4.39Å; A429-K548 HydrophobicContact CB-CG 4.3Å; K548-D550 PolarHBondContact O-N 3.46Å; K548-R559 PolarHBondContact N-O 3.22Å; K548-R559 PolarHBondContact O-N 2.85Å
549V89Confident88.8Confident30 Ų3085.5 Ų85.518%0.18239%0.386CS..EExtended strand (participates in β ladder)trans-76.3115.6169.8175.90000107.8G424 E556 L558G424-V549 WeakPolarHBondContact O-CB 3.17Å; G424-V549 PolarHBondContact O-N 2.9Å; V549-E556 HydrophobicContact CG1-CB 3.75Å; V549-E556 HydrophobicContact CG1-CG 4.31Å; V549-L558 HydrophobicContact CG2-CB 4.5Å; V549-L558 HydrophobicContact CG2-CD1 4.04Å
550D85.8Confident88.8Confident58 Ų5882.5 Ų82.531%0.3137%0.37SS..EExtended strand (participates in β ladder)trans-92.5135.6170-74.9-20.4000107.9K548 R557 R559K548-D550 PolarHBondContact O-N 3.46Å; D550-R557 PolarHBondContact N-O 3.44Å; D550-R557 PolarHBondContact O-N 2.95Å; D550-R559 WeakPolarHBondContact OD2-CD 3.44Å; D550-R559 IonicContact OD2-NH1 3.54Å
551R83.6Confident88.7Confident197 Ų19781.1 Ų81.174%0.74336%0.359SS*.EExtended strand (participates in β ladder)trans-99.9118.3172.9-67.6-173172.5165.7-2.5108.9E555 E556R551-E555 WeakPolarHBondContact CA-O 3.46Å; R551-E556 HydrophobicContact CG-CG 4.16Å; R551-E556 IonicContact CZ-OE1 2.69Å; R551-E556 IonicContact NE-OE1 2.67Å; R551-E556 PolarHBondContact NE-OE1 3.42Å; R551-E556 IonicContact NH2-OE1 3.09Å; R551-E556 PolarHBondContact NH2-OE1 2.83Å
552Y77.4Confident88.7Confident178 Ų17879.5 Ų79.570%0.69835%0.354SS*.EExtended strand (participates in β ladder)trans-137125.2176.8-176.1-96.7000109.6D554 E555Y552-D554 VanDerWaalsContact C-N 3.28Å; Y552-D554 PolarHBondContact O-N 2.81Å; Y552-E555 PolarHBondContact N-O 3.3Å; Y552-E555 PolarHBondContact O-N 3.48Å
553N78.6Confident88.5Confident128 Ų12880.5 Ų80.568%0.68437%0.367SS*.THydrogen-bonded Turntrans47.247.8-175.9-68.8-8.2000113.3E555N553-E555 PolarHBondContact O-N 3.45Å
554D77.9Confident88.3Confident170 Ų17083.5 Ų83.591%0.90938%0.382SS*.THydrogen-bonded Turntrans633.6-178.1-55.7-42.4000116.3Y552Y552-D554 VanDerWaalsContact C-N 3.28Å; Y552-D554 PolarHBondContact O-N 2.81Å
555E83.6Confident88.4Confident153 Ų15379.8 Ų79.872%0.71537%0.369SS*.EExtended strand (participates in β ladder)trans-92.6129.2169.4-68.9-172.5169.600111.1R551 Y552 N553R551-E555 WeakPolarHBondContact CA-O 3.46Å; Y552-E555 PolarHBondContact N-O 3.3Å; Y552-E555 PolarHBondContact O-N 3.48Å; N553-E555 PolarHBondContact O-N 3.45Å
556E84.6Confident88.3Confident117 Ų11785.4 Ų85.455%0.54739%0.394SS..EExtended strand (participates in β ladder)trans-88.9119.9171-59.6-157148.700109.9V549 R551V549-E556 HydrophobicContact CG1-CB 3.75Å; V549-E556 HydrophobicContact CG1-CG 4.31Å; R551-E556 HydrophobicContact CG-CG 4.16Å; R551-E556 IonicContact CZ-OE1 2.69Å; R551-E556 IonicContact NE-OE1 2.67Å; R551-E556 PolarHBondContact NE-OE1 3.42Å; R551-E556 IonicContact NH2-OE1 3.09Å; R551-E556 PolarHBondContact NH2-OE1 2.83Å
557R87.6Confident88.4Confident185 Ų18586.2 Ų86.270%0.69841%0.41SS*.EExtended strand (participates in β ladder)trans-127.1124.8175.4-172.9175.2177.6173.72.4110.9D550 R559D550-R557 PolarHBondContact N-O 3.44Å; D550-R557 PolarHBondContact O-N 2.95Å; R557-R559 PolarHBondContact O-N 2.96Å
558L89.9Confident88.5Confident62 Ų6287.7 Ų87.733%0.32542%0.418SS..EExtended strand (participates in β ladder)trans-66.7116.9170.1-176.663.6000109.6V418 V423 A547 V549 V560V418-L558 HydrophobicContact CG1-CD2 3.6Å; V423-L558 HydrophobicContact CG1-CD2 4.42Å; A547-L558 HydrophobicContact CB-CD1 4Å; V549-L558 HydrophobicContact CG2-CB 4.5Å; V549-L558 HydrophobicContact CG2-CD1 4.04Å; L558-V560 HydrophobicContact CD2-CG2 4.47Å; L558-V560 HydrophobicContact CG-CG2 4.25Å
559R92.6Very high88.2Confident102 Ų10288.4 Ų88.439%0.38543%0.425SS..EExtended strand (participates in β ladder)trans-106126173.8-170.7178-176.81771.5109.5K548 D550 R557 V561K548-R559 PolarHBondContact N-O 3.22Å; K548-R559 PolarHBondContact O-N 2.85Å; D550-R559 WeakPolarHBondContact OD2-CD 3.44Å; D550-R559 IonicContact OD2-NH1 3.54Å; R557-R559 PolarHBondContact O-N 2.96Å; R559-V561 HydrophobicContact CG-CG2 4.26Å
560V95Very high88.3Confident6 Ų692.8 Ų92.84%0.03645%0.447CS..EExtended strand (participates in β ladder)trans-110.9123.5175.9-171.10000109.5V418 L497 V499 T500 L545 R546 A547 L558V418-V560 HydrophobicContact CG1-CG2 4.15Å; L497-V560 HydrophobicContact CD1-CG2 4.3Å; L497-V560 HydrophobicContact CD2-CB 4.32Å; L497-V560 HydrophobicContact CD2-CG1 4.04Å; L497-V560 HydrophobicContact CD2-CG2 4.16Å; V499-V560 WeakPolarHBondContact CA-O 3.45Å; V499-V560 HydrophobicContact CG1-CB 4.33Å; V499-V560 HydrophobicContact CG1-CG1 3.97Å; T500-V560 PolarHBondContact N-O 3.04Å; L545-V560 HydrophobicContact CB-CG1 3.96Å; L545-V560 HydrophobicContact CD1-CG1 4.32Å; L545-V560 HydrophobicContact CD2-CG1 4.23Å; L545-V560 HydrophobicContact CG-CG1 4.39Å; R546-V560 WeakPolarHBondContact O-CA 3.47Å; A547-V560 HydrophobicContact CB-CG2 4.26Å; L558-V560 HydrophobicContact CD2-CG2 4.47Å; L558-V560 HydrophobicContact CG-CG2 4.25Å
561V95.7Very high88.4Confident17 Ų1794 Ų9410%0.10346%0.456CS..EExtended strand (participates in β ladder)trans-116.4135.6-178.21780000108.8T500 F502 R546 R559 A563T500-V561 WeakPolarHBondContact O-CA 3.27Å; F502-V561 HydrophobicContact CD2-CG1 3.75Å; F502-V561 HydrophobicContact CE2-CG1 3.57Å; F502-V561 HydrophobicContact CE2-CG2 4.38Å; R546-V561 PolarHBondContact N-O 2.82Å; R546-V561 PolarHBondContact O-N 2.81Å; R559-V561 HydrophobicContact CG-CG2 4.26Å; V561-A563 PolarHBondContact O-N 2.79Å
562V96.3Very high88.1Confident6 Ų688.7 Ų88.74%0.03644%0.443CS..EExtended strand (participates in β ladder)trans-73.1112.1169.6-1770000108.2V499 T500 C501 A505 F543 L545 D564 V565V499-V562 HydrophobicContact CB-CG2 3.89Å; V499-V562 HydrophobicContact CG2-CG2 3.74Å; T500-V562 PolarHBondContact O-N 3.32Å; C501-V562 WeakPolarHBondContact SG-CG2 3.39Å; A505-V562 HydrophobicContact CB-CB 4.24Å; A505-V562 HydrophobicContact CB-CG1 3.83Å; F543-V562 HydrophobicContact CD1-CG1 3.99Å; F543-V562 HydrophobicContact CD1-CG2 4.07Å; F543-V562 HydrophobicContact CE1-CG2 4.43Å; L545-V562 HydrophobicContact CD2-CB 4.42Å; L545-V562 HydrophobicContact CD2-CG2 3.81Å; V562-D564 WeakPolarHBondContact CG1-O 3.26Å; V562-V565 HydrophobicContact CG1-CB 4.14Å
563A89.7Confident88.5Confident50 Ų5082.7 Ų82.741%0.41342%0.419SS..EExtended strand (participates in β ladder)trans-81.4-35.9175.300000111.3Y431 R544 V561Y431-A563 HydrophobicContact CE1-CB 4.39Å; R544-A563 HydrophobicContact CG-CB 4.49Å; R544-A563 WeakPolarHBondContact O-CB 3.35Å; R544-A563 PolarHBondContact O-N 2.84Å; V561-A563 PolarHBondContact O-N 2.79Å
564D89.9Confident88.9Confident62 Ų6279.5 Ų79.533%0.33241%0.407SS..EExtended strand (participates in β ladder)trans-156.8152.4178.3-175.424.7000109.8R544 V562 K566R544-D564 HydrophobicContact CB-CB 4Å; R544-D564 PolarHBondContact N-O 2.85Å; R544-D564 PolarHBondContact O-N 2.88Å; V562-D564 WeakPolarHBondContact CG1-O 3.26Å; D564-K566 WeakPolarHBondContact OD2-CE 3.48Å; D564-K566 IonicContact OD2-NZ 2.71Å
565V93.5Very high89.1Confident8 Ų878.8 Ų78.85%0.04839%0.392CS..EExtended strand (participates in β ladder)trans-141.9130178.961.10000110.2A505 V508 L509 W541 I542 F543 V562A505-V565 HydrophobicContact CB-CG1 3.94Å; V508-V565 HydrophobicContact CB-CG1 3.88Å; V508-V565 HydrophobicContact CG1-CG1 3.81Å; L509-V565 HydrophobicContact CD2-CG2 3.92Å; L509-V565 HydrophobicContact CG-CG2 4.48Å; W541-V565 HydrophobicContact CB-CG2 3.69Å; W541-V565 HydrophobicContact CD2-CG2 4.06Å; W541-V565 HydrophobicContact CE3-CG2 3.95Å; W541-V565 HydrophobicContact CG-CG2 3.97Å; I542-V565 WeakPolarHBondContact O-CA 3.43Å; F543-V565 HydrophobicContact CD1-CB 4.27Å; F543-V565 HydrophobicContact CD1-CG2 3.92Å; F543-V565 HydrophobicContact CE1-CB 4.4Å; F543-V565 HydrophobicContact CE1-CG2 3.75Å; F543-V565 HydrophobicContact CZ-CG2 4.33Å; V562-V565 HydrophobicContact CG1-CB 4.14Å
566K90.6Very high89Confident118 Ų11876.2 Ų76.251%0.51338%0.375SS..EExtended strand (participates in β ladder)trans-131.1148.4-177.3-68-176.4176.2172.70111.7I542 D564I542-K566 PolarHBondContact N-O 3.5Å; I542-K566 PolarHBondContact O-N 2.81Å; D564-K566 WeakPolarHBondContact OD2-CE 3.48Å; D564-K566 IonicContact OD2-NZ 2.71Å
567P93.3Very high89.1Confident97 Ų9774.2 Ų74.263%0.6337%0.368SS*.EExtended strand (participates in β ladder)trans-59.9152.1171.227.3-34.6000110.4W541 D569W541-P567 HydrophobicContact CZ3-CB 4.35Å; P567-D569 PolarHBondContact O-N 2.8Å
568V92.1Very high89Confident30 Ų3070.3 Ų70.318%0.18236%0.36CS..  trans-78.3109178.4-175.20000109.4K435 S540 I542 L570 Y573K435-V568 HydrophobicContact CG-CG2 4.39Å; S540-V568 WeakPolarHBondContact O-CG2 3.27Å; I542-V568 HydrophobicContact CD1-CG1 4.28Å; I542-V568 HydrophobicContact CD1-CG2 3.92Å; I542-V568 HydrophobicContact CG1-CG2 4.09Å; V568-L570 HydrophobicContact CG1-CD2 4.29Å; V568-L570 PolarHBondContact O-N 2.79Å; V568-Y573 HydrophobicContact CG1-CG 4.25Å
569D86.7Confident88.3Confident83 Ų8373.1 Ų73.144%0.44437%0.37SS..  trans-70.1111.3163.5-174.3-40.8000108.9P567 V571 D572 Y573P567-D569 PolarHBondContact O-N 2.8Å; D569-V571 VanDerWaalsContact C-N 3.32Å; D569-V571 PolarHBondContact O-N 2.81Å; D569-V571 WeakPolarHBondContact OD1-CA 3.46Å; D569-V571 WeakPolarHBondContact OD1-CB 3.22Å; D569-V571 PolarHBondContact OD1-N 2.86Å; D569-D572 HydrophobicContact CB-CB 4.14Å; D569-D572 PolarHBondContact OD1-N 2.95Å; D569-Y573 WeakPolarHBondContact O-CB 3.43Å; D569-Y573 PolarHBondContact O-N 2.88Å
570L90.8Very high87.6Confident122 Ų12270.4 Ų70.464%0.63937%0.369SS*.Hα-helixtrans-66-34-176.5-62.5179.7000112.5V568 S574V568-L570 HydrophobicContact CG1-CD2 4.29Å; V568-L570 PolarHBondContact O-N 2.79Å; L570-S574 WeakPolarHBondContact O-CB 3.39Å; L570-S574 PolarHBondContact O-N 2.74Å; L570-S574 PolarHBondContact O-OG 2.86Å
571V87.3Confident87Confident82 Ų8274.9 Ų74.950%0.49739%0.392SS..Hα-helixtrans-71.4-49.7-178.1-179.60000109.4D569 S574 R575D569-V571 VanDerWaalsContact C-N 3.32Å; D569-V571 PolarHBondContact O-N 2.81Å; D569-V571 WeakPolarHBondContact OD1-CA 3.46Å; D569-V571 WeakPolarHBondContact OD1-CB 3.22Å; D569-V571 PolarHBondContact OD1-N 2.86Å; V571-S574 PolarHBondContact O-N 2.84Å; V571-R575 VanDerWaalsContact CG1-CZ 3.49Å; V571-R575 WeakPolarHBondContact O-CG 3.45Å; V571-R575 PolarHBondContact O-N 2.9Å
572D77.5Confident86.2Confident86 Ų8678.8 Ų78.846%0.4641%0.412SS..Hα-helixtrans-67.2-41.6-180-79.1-12.4000112.2D569 S574 R575 R576D569-D572 HydrophobicContact CB-CB 4.14Å; D569-D572 PolarHBondContact OD1-N 2.95Å; D572-S574 VanDerWaalsContact C-N 3.31Å; D572-S574 PolarHBondContact O-N 2.82Å; D572-R575 PolarHBondContact O-N 3.23Å; D572-R575 IonicContact OD1-CZ 2.74Å; D572-R575 IonicContact OD1-NH1 2.75Å; D572-R575 PolarHBondContact OD1-NH1 3.18Å; D572-R576 WeakPolarHBondContact O-CB 3.34Å; D572-R576 PolarHBondContact O-N 2.97Å; D572-R576 VanDerWaalsContact O-N 3.07Å
573Y84.5Confident85Confident52 Ų5283.1 Ų83.120%0.20444%0.435CS..Hα-helixtrans-64.6-36.9175.4-168.3-107.9000111.8W412 K435 I542 V568 D569 R576 L577W412-Y573 HydrophobicContact CH2-CD2 4.16Å; W412-Y573 HydrophobicContact CH2-CE2 4.33Å; W412-Y573 HydrophobicContact CZ3-CD2 4.23Å; W412-Y573 AromaticContact CZ3-CE2 3.93Å; W412-Y573 HydrophobicContact CZ3-CE2 3.93Å; K435-Y573 HydrophobicContact CB-CE2 3.84Å; K435-Y573 HydrophobicContact CD-CD1 4.05Å; K435-Y573 HydrophobicContact CD-CD2 4.46Å; K435-Y573 HydrophobicContact CD-CE1 3.4Å; K435-Y573 HydrophobicContact CD-CE2 3.89Å; K435-Y573 WeakPolarHBondContact CD-OH 3.34Å; K435-Y573 HydrophobicContact CG-CE2 4.43Å; I542-Y573 HydrophobicContact CD1-CD2 4.32Å; V568-Y573 HydrophobicContact CG1-CG 4.25Å; D569-Y573 WeakPolarHBondContact O-CB 3.43Å; D569-Y573 PolarHBondContact O-N 2.88Å; Y573-R576 WeakPolarHBondContact O-CB 3.4Å; Y573-R576 PolarHBondContact O-N 2.91Å; Y573-L577 HydrophobicContact CD1-CD1 3.89Å; Y573-L577 HydrophobicContact CD1-CG 4.22Å; Y573-L577 HydrophobicContact CE1-CD1 3.55Å; Y573-L577 HydrophobicContact CE1-CD2 4.2Å; Y573-L577 HydrophobicContact CE1-CG 3.89Å; Y573-L577 WeakPolarHBondContact O-CG 3.32Å; Y573-L577 PolarHBondContact O-N 2.84Å
574S88.8Confident84.2Confident61 Ų6185.9 Ų85.943%0.42744%0.443SS..Hα-helixtrans-66.3-42.8175.9-63.50000112.4L570 V571 D572 R576 L577 L578L570-S574 WeakPolarHBondContact O-CB 3.39Å; L570-S574 PolarHBondContact O-N 2.74Å; L570-S574 PolarHBondContact O-OG 2.86Å; V571-S574 PolarHBondContact O-N 2.84Å; D572-S574 VanDerWaalsContact C-N 3.31Å; D572-S574 PolarHBondContact O-N 2.82Å; S574-R576 VanDerWaalsContact C-N 3.28Å; S574-R576 PolarHBondContact O-N 2.98Å; S574-L577 PolarHBondContact O-N 3.03Å; S574-L578 WeakPolarHBondContact O-CG 3.46Å; S574-L578 PolarHBondContact O-N 3.36Å
575R81.4Confident83.3Confident156 Ų15685.5 Ų85.559%0.58945%0.445SS*.Hα-helixtrans-59-42174.6-71.2174.2-172.1144.9-3.6111.6V571 D572 L578 K579V571-R575 VanDerWaalsContact CG1-CZ 3.49Å; V571-R575 WeakPolarHBondContact O-CG 3.45Å; V571-R575 PolarHBondContact O-N 2.9Å; D572-R575 PolarHBondContact O-N 3.23Å; D572-R575 IonicContact OD1-CZ 2.74Å; D572-R575 IonicContact OD1-NH1 2.75Å; D572-R575 PolarHBondContact OD1-NH1 3.18Å; R575-L578 PolarHBondContact O-N 3.01Å; R575-K579 PolarHBondContact O-N 2.94Å
576R80.8Confident81.6Confident98 Ų9887.6 Ų87.637%0.3746%0.463SS..Hα-helixtrans-61.5-46.7175.6176.5-166.7170.27021.6111.8W412 D572 Y573 S574 K579 A580W412-R576 VanDerWaalsContact CE2-NH1 3.25Å; W412-R576 VanDerWaalsContact CG-NH2 3.26Å; W412-R576 VanDerWaalsContact NE1-NH1 3.11Å; D572-R576 WeakPolarHBondContact O-CB 3.34Å; D572-R576 PolarHBondContact O-N 2.97Å; D572-R576 VanDerWaalsContact O-N 3.07Å; Y573-R576 WeakPolarHBondContact O-CB 3.4Å; Y573-R576 PolarHBondContact O-N 2.91Å; S574-R576 VanDerWaalsContact C-N 3.28Å; S574-R576 PolarHBondContact O-N 2.98Å; R576-K579 PolarHBondContact O-N 2.84Å; R576-A580 PolarHBondContact O-N 3.19Å
577L86.3Confident79.7Confident75 Ų7585.9 Ų85.939%0.39346%0.462SS..Hα-helixtrans-62.7-44177-72.8179.3000111.8Y573 S574 K579 A580 I581Y573-L577 HydrophobicContact CD1-CD1 3.89Å; Y573-L577 HydrophobicContact CD1-CG 4.22Å; Y573-L577 HydrophobicContact CE1-CD1 3.55Å; Y573-L577 HydrophobicContact CE1-CD2 4.2Å; Y573-L577 HydrophobicContact CE1-CG 3.89Å; Y573-L577 WeakPolarHBondContact O-CG 3.32Å; Y573-L577 PolarHBondContact O-N 2.84Å; S574-L577 PolarHBondContact O-N 3.03Å; L577-K579 VanDerWaalsContact C-N 3.3Å; L577-K579 PolarHBondContact O-N 2.96Å; L577-A580 PolarHBondContact O-N 2.96Å; L577-A580 VanDerWaalsContact O-N 3.15Å; L577-I581 VanDerWaalsContact O-CG1 3.28Å; L577-I581 WeakPolarHBondContact O-CG1 3.43Å; L577-I581 PolarHBondContact O-N 3.15Å
578L85.3Confident77.6Confident103 Ų10388.2 Ų88.254%0.53947%0.469SS..Hα-helixtrans-57.7-43.2175.6-75.8169.7000111.7S574 R575 I581 N582S574-L578 WeakPolarHBondContact O-CG 3.46Å; S574-L578 PolarHBondContact O-N 3.36Å; R575-L578 PolarHBondContact O-N 3.01Å; L578-I581 PolarHBondContact O-N 3.5Å; L578-N582 WeakPolarHBondContact O-CB 3.32Å; L578-N582 PolarHBondContact O-N 2.97Å; L578-N582 PolarHBondContact O-ND2 3.41Å
579K76.5Confident75.3Confident121 Ų12190.2 Ų90.253%0.52648%0.484SS..Hα-helixtrans-59.1-49.2174.1-175.2176.9179.2176.30111.6R575 R576 L577 I581 N582 D583R575-K579 PolarHBondContact O-N 2.94Å; R576-K579 PolarHBondContact O-N 2.84Å; L577-K579 VanDerWaalsContact C-N 3.3Å; L577-K579 PolarHBondContact O-N 2.96Å; K579-I581 VanDerWaalsContact C-N 3.35Å; K579-I581 PolarHBondContact O-N 2.94Å; K579-N582 PolarHBondContact O-N 3.11Å; K579-D583 PolarHBondContact O-N 2.75Å
580A76.6Confident72.9Confident45 Ų4595.1 Ų95.137%0.37251%0.508SS..Hα-helixtrans-62.1-39.6178.600000112.9R576 L577 D583 L584R576-A580 PolarHBondContact O-N 3.19Å; L577-A580 PolarHBondContact O-N 2.96Å; L577-A580 VanDerWaalsContact O-N 3.15Å; A580-D583 PolarHBondContact O-N 3.11Å; A580-L584 WeakPolarHBondContact O-CB 3.26Å; A580-L584 VanDerWaalsContact O-CG 3.32Å; A580-L584 WeakPolarHBondContact O-CG 3.28Å; A580-L584 PolarHBondContact O-N 3.13Å
581I83Confident72.1Confident101 Ų10193.8 Ų93.852%0.51850%0.502SS..Hα-helixtrans-64.2-44.2175.2-68.7165.1000110.5L577 L578 K579 L584 S585L577-I581 VanDerWaalsContact O-CG1 3.28Å; L577-I581 WeakPolarHBondContact O-CG1 3.43Å; L577-I581 PolarHBondContact O-N 3.15Å; L578-I581 PolarHBondContact O-N 3.5Å; K579-I581 VanDerWaalsContact C-N 3.35Å; K579-I581 PolarHBondContact O-N 2.94Å; I581-L584 PolarHBondContact O-N 3.23Å; I581-S585 WeakPolarHBondContact O-CB 3.16Å; I581-S585 PolarHBondContact O-N 2.87Å
582N78.6Confident71.3Confident98 Ų9894.4 Ų94.452%0.52450%0.502SS..Hα-helixtrans-63-44.2177.9-71.2-21.9000111.5L578 K579 L584 S585 A586L578-N582 WeakPolarHBondContact O-CB 3.32Å; L578-N582 PolarHBondContact O-N 2.97Å; L578-N582 PolarHBondContact O-ND2 3.41Å; K579-N582 PolarHBondContact O-N 3.11Å; N582-L584 VanDerWaalsContact C-N 3.31Å; N582-L584 PolarHBondContact O-N 3.08Å; N582-S585 PolarHBondContact O-N 3.49Å; N582-S585 PolarHBondContact O-OG 2.67Å; N582-A586 PolarHBondContact O-N 2.85Å; N582-A586 VanDerWaalsContact O-N 3.16Å
583D71Confident70.9Confident98 Ų9894.9 Ų94.952%0.52451%0.505SS..Hα-helixtrans-61.7-39177.1-65.7-17.5000111.4K579 A580 T587K579-D583 PolarHBondContact O-N 2.75Å; A580-D583 PolarHBondContact O-N 3.11Å; D583-T587 PolarHBondContact O-OG1 3.07Å
584L74.3Confident70.1Confident108 Ų10897.4 Ų97.457%0.56552%0.522SS*.Hα-helixtrans-70.7-37.7174-72.9168.9000112.8A580 I581 N582 A586 T587 L588A580-L584 WeakPolarHBondContact O-CB 3.26Å; A580-L584 VanDerWaalsContact O-CG 3.32Å; A580-L584 WeakPolarHBondContact O-CG 3.28Å; A580-L584 PolarHBondContact O-N 3.13Å; I581-L584 PolarHBondContact O-N 3.23Å; N582-L584 VanDerWaalsContact C-N 3.31Å; N582-L584 PolarHBondContact O-N 3.08Å; L584-A586 VanDerWaalsContact C-N 3.25Å; L584-A586 PolarHBondContact O-N 2.85Å; L584-T587 CarbonylContact O-C 3.54Å; L584-T587 WeakPolarHBondContact O-CA 3.49Å; L584-T587 WeakPolarHBondContact O-CB 3.24Å; L584-T587 PolarHBondContact O-N 3.47Å; L584-L588 PolarHBondContact O-N 3.22Å
585S69.8Low68.9Low54 Ų5499.7 Ų99.738%0.37853%0.528SS..Hα-helixtrans-61.8-34.9178.778.30000112I581 N582 T587 L588 S589I581-S585 WeakPolarHBondContact O-CB 3.16Å; I581-S585 PolarHBondContact O-N 2.87Å; N582-S585 PolarHBondContact O-N 3.49Å; N582-S585 PolarHBondContact O-OG 2.67Å; S585-T587 PolarHBondContact O-N 3Å; S585-L588 PolarHBondContact O-N 3.15Å; S585-S589 WeakPolarHBondContact O-CB 3.1Å; S585-S589 PolarHBondContact O-N 3.37Å; S585-S589 VanDerWaalsContact O-N 3.11Å; S585-S589 PolarHBondContact O-OG 2.83Å
586A57.6Low68.1Low51 Ų5195.9 Ų95.942%0.42152%0.524SS..Hα-helixtrans-65.4-24.6172.900000112.6N582 L584N582-A586 PolarHBondContact O-N 2.85Å; N582-A586 VanDerWaalsContact O-N 3.16Å; L584-A586 VanDerWaalsContact C-N 3.25Å; L584-A586 PolarHBondContact O-N 2.85Å
587T51.1Low67.2Low83 Ų8395.8 Ų95.851%0.50954%0.535SS..Hα-helixtrans-89.7-32.7178.9-45.20000111.9D583 L584 S585 S589D583-T587 PolarHBondContact O-OG1 3.07Å; L584-T587 CarbonylContact O-C 3.54Å; L584-T587 WeakPolarHBondContact O-CA 3.49Å; L584-T587 WeakPolarHBondContact O-CB 3.24Å; L584-T587 PolarHBondContact O-N 3.47Å; S585-T587 PolarHBondContact O-N 3Å; T587-S589 VanDerWaalsContact C-N 3.28Å
588L49.2Very low65.7Low145 Ų14597.4 Ų97.476%0.75955%0.546SS*.Hα-helixtrans-79-8.6175.1-70164.8000113.5L584 S585 I590L584-L588 PolarHBondContact O-N 3.22Å; S585-L588 PolarHBondContact O-N 3.15Å; L588-I590 VanDerWaalsContact C-N 3.29Å
589S45.3Very low64.1Low73 Ų7396.9 Ų96.951%0.5155%0.547SS..THydrogen-bonded Turntrans-88.69.7176.2-59.60000113.7N69 S585 T587N69-S589 PolarHBondContact ND2-O 3.33Å; S585-S589 WeakPolarHBondContact O-CB 3.1Å; S585-S589 PolarHBondContact O-N 3.37Å; S585-S589 VanDerWaalsContact O-N 3.11Å; S585-S589 PolarHBondContact O-OG 2.83Å; T587-S589 VanDerWaalsContact C-N 3.28Å
590I36.3Very low63Low186 Ų18694.7 Ų94.795%0.95455%0.549SS*.  trans-1020167.7-50.2174.1000107.2L588L588-I590 VanDerWaalsContact C-N 3.29Å

Retrieved 590 of 590 residues in 610.4 ms (Link to these results)

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