A0A077ZK19_TRITR Loading...

EB module family protein

AlphaFold DB , UniProt , Accession A0A077ZK19, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 332 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
1M34.2Very low72.2Confident216 Ų21697.5 Ų97.5100%1.06453%0.529SS*.  0112.10-67.9-178.5-151.200108.1Y3M1-Y3 HydrophobicContact CB-CD2 4Å; M1-Y3 HydrophobicContact CB-CE2 4.43Å; M1-Y3 HydrophobicContact CG-CD2 4.29Å; M1-Y3 HydrophobicContact CG-CE2 4.26Å; M1-Y3 HydrophobicContact SD-CD2 4.18Å; M1-Y3 HydrophobicContact SD-CE2 4.08Å
2V44.5Very low73.2Confident117 Ų11790.1 Ų90.171%0.70949%0.49SS*.  trans-106.371.5162-171.50000105.8A4 T112V2-A4 PolarHBondContact O-N 3.28Å; V2-T112 HydrophobicContact CB-CG2 4.47Å
3Y55.8Low73.8Confident180 Ų18098.3 Ų98.371%0.70652%0.523SS*.PPolyproline II helixtrans-67.7123.3165-85.4-78.9000106.1M1 P5M1-Y3 HydrophobicContact CB-CD2 4Å; M1-Y3 HydrophobicContact CB-CE2 4.43Å; M1-Y3 HydrophobicContact CG-CD2 4.29Å; M1-Y3 HydrophobicContact CG-CE2 4.26Å; M1-Y3 HydrophobicContact SD-CD2 4.18Å; M1-Y3 HydrophobicContact SD-CE2 4.08Å; Y3-P5 VanDerWaalsContact O-CD 3.3Å; Y3-P5 WeakPolarHBondContact O-CD 3.47Å
4A68.9Low74.2Confident36 Ų3697.9 Ų97.930%0.29853%0.532SS..PPolyproline II helixtrans-60.9122167.600000106.4V2 S6 R15V2-A4 PolarHBondContact O-N 3.28Å; A4-S6 PolarHBondContact O-N 3.33Å; A4-R15 HydrophobicContact CB-CB 4.47Å
5P77.5Confident74.4Confident31 Ų31103.3 Ų103.320%0.20154%0.542CS..PPolyproline II helixtrans-50.2131.5-177.29.8-25.2000111.7Y3 A10 C12 R15 C16 A17 C27Y3-P5 VanDerWaalsContact O-CD 3.3Å; Y3-P5 WeakPolarHBondContact O-CD 3.47Å; P5-A10 HydrophobicContact CB-CB 3.5Å; P5-A10 VanDerWaalsContact CB-CB 3.5Å; P5-C12 HydrophobicContact CG-CB 3.79Å; P5-R15 WeakPolarHBondContact CD-O 3.32Å; P5-C16 WeakPolarHBondContact O-CA 3.06Å; P5-A17 PolarHBondContact O-N 2.92Å; P5-C27 VanDerWaalsContact CB-SG 3.6Å; P5-C27 WeakPolarHBondContact CG-SG 3.47Å
6S81.5Confident74.8Confident92 Ų9297.6 Ų97.664%0.64351%0.513SS*.  trans-1083.8-174.355.20000113.8A4 L20A4-S6 PolarHBondContact O-N 3.33Å; S6-L20 VanDerWaalsContact C-CD1 3.48Å
7E84Confident75.1Confident140 Ų14093.5 Ų93.565%0.65450%0.496SS*.SBendtrans-107.1144.6179.1-64.8179.2-173.900110.6N9 A10 C27E7-N9 PolarHBondContact O-N 3.39Å; E7-A10 HydrophobicContact CB-CB 4.18Å; E7-A10 WeakPolarHBondContact O-CB 3.27Å; E7-A10 PolarHBondContact O-N 2.91Å; E7-C27 WeakPolarHBondContact O-CB 3.06Å
8I85.2Confident75Confident24 Ų2492 Ų9212%0.12349%0.492CS..THydrogen-bonded Turntrans-61.2135.3172.3-61174.5000108.6A10 L20 R34 N37I8-A10 PolarHBondContact O-N 3.38Å; I8-L20 HydrophobicContact CG1-CD2 3.99Å; I8-R34 HydrophobicContact CD1-CG 3.92Å; I8-N37 WeakPolarHBondContact CD1-O 3.43Å; I8-N37 WeakPolarHBondContact CG1-O 3.06Å
9N87.9Confident75.1Confident94 Ų9488.2 Ų88.250%0.50347%0.473SS..THydrogen-bonded Turntrans67.74.5-176.7-56.1-31.1000116.2E7 H26 C27E7-N9 PolarHBondContact O-N 3.39Å; N9-H26 PolarHBondContact O-ND1 3.24Å; N9-C27 PolarHBondContact N-O 2.88Å
10A87.3Confident75.6Confident25 Ų2584.2 Ų84.221%0.20745%0.451CS..  trans-60.3142.1170.900000110.8P5 E7 I8 C12 H26 C27P5-A10 HydrophobicContact CB-CB 3.5Å; P5-A10 VanDerWaalsContact CB-CB 3.5Å; E7-A10 HydrophobicContact CB-CB 4.18Å; E7-A10 WeakPolarHBondContact O-CB 3.27Å; E7-A10 PolarHBondContact O-N 2.91Å; I8-A10 PolarHBondContact O-N 3.38Å; A10-C12 PolarHBondContact O-N 3.12Å; A10-H26 WeakPolarHBondContact O-CA 3.43Å; A10-C27 PolarHBondContact O-N 2.97Å
11V87.7Confident76.1Confident117 Ų11781.8 Ų81.871%0.70944%0.44SS*.BIsolated β-bridgetrans-68.4128.9-179.8-1790000109.3G25V11-G25 CarbonylContact C-O 3.57Å; V11-G25 WeakPolarHBondContact CA-O 3.48Å
12C83.8Confident78.6Confident9 Ų973.3 Ų73.36%0.06140%0.402CS..  trans-130.2143.3-179.162.50000110.7P5 A10 R15 C16 C22 G25 H26P5-C12 HydrophobicContact CG-CB 3.79Å; A10-C12 PolarHBondContact O-N 3.12Å; C12-R15 WeakPolarHBondContact CB-O 3.42Å; C12-C16 VanDerWaalsContact SG-SG 3.66Å; C12-C22 VanDerWaalsContact C-SG 3.58Å; C12-C22 HydrophobicContact CB-CB 3.86Å; C12-C22 WeakPolarHBondContact CB-SG 3.2Å; C12-C22 PolarHBondContact O-SG 2.89Å; C12-C22 WeakPolarHBondContact SG-CA 3.25Å; C12-C22 WeakPolarHBondContact SG-CB 3.28Å; C12-C22 CovalentContact SG-SG 2.03Å; C12-C22 PolarHBondContact SG-SG 3.04Å; C12-G25 PolarHBondContact N-O 2.93Å; C12-G25 CarbonylContact O-C 3.54Å; C12-G25 WeakPolarHBondContact O-CA 3.31Å; C12-H26 VanDerWaalsContact SG-CA 3.56Å; C12-H26 PolarHBondContact SG-N 2.84Å
13Q81.2Confident80.7Confident197 Ų19769.9 Ų69.992%0.92138%0.383SS*.SBendtrans-87.8-40.4174-73.3-179.1-22.900112.2
14S78.7Confident82.3Confident93 Ų9368.9 Ų68.965%0.6539%0.39SS*.SBendtrans-153.6-14.3-178.957.90000114.9
15R77.3Confident83.2Confident179 Ų17968.7 Ų68.768%0.67539%0.391SS*.  trans-145.8151.3-172.6-61.1-175.9-174.9-163.3-0.8111.7A4 P5 C12A4-R15 HydrophobicContact CB-CB 4.47Å; P5-R15 WeakPolarHBondContact CD-O 3.32Å; C12-R15 WeakPolarHBondContact CB-O 3.42Å
16C82Confident83.9Confident12 Ų1271.1 Ų71.18%0.08140%0.4CS..  trans-131.8163.1170.1-580000109.1P5 C12 L20 C27P5-C16 WeakPolarHBondContact O-CA 3.06Å; C12-C16 VanDerWaalsContact SG-SG 3.66Å; C16-L20 HydrophobicContact CB-CB 3.43Å; C16-L20 VanDerWaalsContact CB-CB 3.43Å; C16-C27 HydrophobicContact CB-CB 3.81Å; C16-C27 WeakPolarHBondContact CB-SG 3.01Å; C16-C27 WeakPolarHBondContact SG-CA 3.38Å; C16-C27 WeakPolarHBondContact SG-CB 3.38Å; C16-C27 CovalentContact SG-SG 2.03Å; C16-C27 PolarHBondContact SG-SG 3.43Å
17A78.8Confident84.3Confident27 Ų2766.8 Ų66.822%0.22337%0.369CS..SBendtrans-70.9129.3173.900000109.4P5 L20P5-A17 PolarHBondContact O-N 2.92Å; A17-L20 WeakPolarHBondContact O-CB 3.46Å; A17-L20 PolarHBondContact O-N 2.03Å
18P73.3Confident84.6Confident67 Ų6763.2 Ų63.244%0.43535%0.354SS..THydrogen-bonded Turntrans-54.6144.3176.6-23.531.9000111.7L20 G51P18-L20 VanDerWaalsContact C-N 3.33Å; P18-G51 WeakPolarHBondContact CB-O 3.47Å
19P77.9Confident84.7Confident20 Ų2063.8 Ų63.813%0.1336%0.36CS..THydrogen-bonded Turncis-85.315.97.935.8-38.5000114.9W30 A32 C39 V41 L49P19-W30 WeakPolarHBondContact O-CB 3.35Å; P19-W30 PolarHBondContact O-N 3.11Å; P19-W30 VanDerWaalsContact O-N 3.11Å; P19-A32 HydrophobicContact CB-CB 4.15Å; P19-A32 HydrophobicContact CG-CB 4.11Å; P19-C39 HydrophobicContact CG-CB 3.48Å; P19-C39 VanDerWaalsContact CG-CB 3.48Å; P19-V41 HydrophobicContact CB-CG2 3.7Å; P19-V41 HydrophobicContact CG-CG2 4.16Å; P19-L49 HydrophobicContact CB-CD2 3.71Å; P19-L49 HydrophobicContact CG-CD2 4.27Å
20L85.3Confident84.5Confident7 Ų765.5 Ų65.54%0.03736%0.359CS..EExtended strand (participates in β ladder)trans-78.8143.6179.5-59.9160000111.3S6 I8 C16 A17 P18 C27 I28 C39S6-L20 VanDerWaalsContact C-CD1 3.48Å; I8-L20 HydrophobicContact CG1-CD2 3.99Å; C16-L20 HydrophobicContact CB-CB 3.43Å; C16-L20 VanDerWaalsContact CB-CB 3.43Å; A17-L20 WeakPolarHBondContact O-CB 3.46Å; A17-L20 PolarHBondContact O-N 2.03Å; P18-L20 VanDerWaalsContact C-N 3.33Å; L20-C27 HydrophobicContact CB-CB 4.1Å; L20-C27 HydrophobicContact CD1-CB 4.05Å; L20-C27 HydrophobicContact CD2-CB 4.22Å; L20-C27 HydrophobicContact CG-CB 4.37Å; L20-I28 CarbonylContact C-O 3.57Å; L20-I28 VanDerWaalsContact CA-O 3.25Å; L20-I28 WeakPolarHBondContact CA-O 3.13Å; L20-C39 WeakPolarHBondContact CD2-SG 3.02Å
21V85.6Confident84.2Confident34 Ų3470.8 Ų70.821%0.20638%0.384CS..EExtended strand (participates in β ladder)trans-116.6147.2167.6-63.20000110.2S23 C27 I28 W30V21-S23 PolarHBondContact O-N 3.03Å; V21-C27 WeakPolarHBondContact O-CA 3.04Å; V21-I28 HydrophobicContact CG2-CD1 4.32Å; V21-I28 HydrophobicContact CG2-CG1 3.77Å; V21-I28 PolarHBondContact N-O 2.85Å; V21-I28 PolarHBondContact O-N 3.25Å; V21-W30 HydrophobicContact CB-CB 4.24Å; V21-W30 HydrophobicContact CG1-CB 3.53Å; V21-W30 HydrophobicContact CG1-CD2 4.1Å; V21-W30 HydrophobicContact CG1-CE3 4.4Å; V21-W30 HydrophobicContact CG1-CG 3.75Å; V21-W30 HydrophobicContact CG2-CB 3.81Å; V21-W30 HydrophobicContact CG2-CD2 4.2Å; V21-W30 HydrophobicContact CG2-CE3 3.71Å; V21-W30 HydrophobicContact CG2-CG 4.29Å
22C85.6Confident83.9Confident39 Ų3966.3 Ų66.326%0.26436%0.359SS..EExtended strand (participates in β ladder)trans-79.5114.4174.7-170.20000109.1C12C12-C22 VanDerWaalsContact C-SG 3.58Å; C12-C22 HydrophobicContact CB-CB 3.86Å; C12-C22 WeakPolarHBondContact CB-SG 3.2Å; C12-C22 PolarHBondContact O-SG 2.89Å; C12-C22 WeakPolarHBondContact SG-CA 3.25Å; C12-C22 WeakPolarHBondContact SG-CB 3.28Å; C12-C22 CovalentContact SG-SG 2.03Å; C12-C22 PolarHBondContact SG-SG 3.04Å
23S90.4Very high83.8Confident45 Ų4572.5 Ų72.532%0.31539%0.385SS..EExtended strand (participates in β ladder)trans-131.7126.7178.2-173.20000108.9V21 G25 H26 I28V21-S23 PolarHBondContact O-N 3.03Å; S23-G25 PolarHBondContact O-N 3.31Å; S23-H26 PolarHBondContact N-O 2.03Å; S23-H26 PolarHBondContact O-N 3.29Å; S23-I28 VanDerWaalsContact CB-CD1 3.44Å
24N88.7Confident84Confident159 Ų15970.4 Ų70.485%0.8537%0.369SS*.THydrogen-bonded Turntrans5138.2-177.1-61.5-24.3000113.9H26N24-H26 VanDerWaalsContact C-N 3.27Å; N24-H26 PolarHBondContact O-CD2 3.5Å; N24-H26 PolarHBondContact O-N 2.92Å
25G88.6Confident84.2Confident31 Ų3168.4 Ų68.432%0.3236%0.358SS..THydrogen-bonded Turntrans76.66.3-179.900000115.1V11 C12 S23V11-G25 CarbonylContact C-O 3.57Å; V11-G25 WeakPolarHBondContact CA-O 3.48Å; C12-G25 PolarHBondContact N-O 2.93Å; C12-G25 CarbonylContact O-C 3.54Å; C12-G25 WeakPolarHBondContact O-CA 3.31Å; S23-G25 PolarHBondContact O-N 3.31Å
26H91.7Very high84.5Confident83 Ų8362.5 Ų62.538%0.38435%0.353SS..EExtended strand (participates in β ladder)trans-129.1149.6177.7-69.1-85.9000113N9 A10 C12 S23 N24N9-H26 PolarHBondContact O-ND1 3.24Å; A10-H26 WeakPolarHBondContact O-CA 3.43Å; C12-H26 VanDerWaalsContact SG-CA 3.56Å; C12-H26 PolarHBondContact SG-N 2.84Å; S23-H26 PolarHBondContact N-O 2.03Å; S23-H26 PolarHBondContact O-N 3.29Å; N24-H26 VanDerWaalsContact C-N 3.27Å; N24-H26 PolarHBondContact O-CD2 3.5Å; N24-H26 PolarHBondContact O-N 2.92Å
27C90.1Very high84.5Confident0 Ų068.2 Ų68.20%038%0.382CS..EExtended strand (participates in β ladder)trans-78.1121.5175.6-63.50000112.3P5 E7 N9 A10 C16 L20 V21P5-C27 VanDerWaalsContact CB-SG 3.6Å; P5-C27 WeakPolarHBondContact CG-SG 3.47Å; E7-C27 WeakPolarHBondContact O-CB 3.06Å; N9-C27 PolarHBondContact N-O 2.88Å; A10-C27 PolarHBondContact O-N 2.97Å; C16-C27 HydrophobicContact CB-CB 3.81Å; C16-C27 WeakPolarHBondContact CB-SG 3.01Å; C16-C27 WeakPolarHBondContact SG-CA 3.38Å; C16-C27 WeakPolarHBondContact SG-CB 3.38Å; C16-C27 CovalentContact SG-SG 2.03Å; C16-C27 PolarHBondContact SG-SG 3.43Å; L20-C27 HydrophobicContact CB-CB 4.1Å; L20-C27 HydrophobicContact CD1-CB 4.05Å; L20-C27 HydrophobicContact CD2-CB 4.22Å; L20-C27 HydrophobicContact CG-CB 4.37Å; V21-C27 WeakPolarHBondContact O-CA 3.04Å
28I89.5Confident84.6Confident65 Ų6571.2 Ų71.233%0.33340%0.398SS..EExtended strand (participates in β ladder)trans-122.2151.7176.964.2168.4000111.1L20 V21 S23 W30L20-I28 CarbonylContact C-O 3.57Å; L20-I28 VanDerWaalsContact CA-O 3.25Å; L20-I28 WeakPolarHBondContact CA-O 3.13Å; V21-I28 HydrophobicContact CG2-CD1 4.32Å; V21-I28 HydrophobicContact CG2-CG1 3.77Å; V21-I28 PolarHBondContact N-O 2.85Å; V21-I28 PolarHBondContact O-N 3.25Å; S23-I28 VanDerWaalsContact CB-CD1 3.44Å; I28-W30 PolarHBondContact O-N 2.78Å
29C87.7Confident85.1Confident37 Ų3769 Ų6925%0.2538%0.384CS..EExtended strand (participates in β ladder)trans-63127.1174.1-61.10000110.2A32 C39C29-A32 HydrophobicContact CB-CB 4.25Å; C29-C39 WeakPolarHBondContact CA-SG 3.18Å; C29-C39 HydrophobicContact CB-CB 3.84Å; C29-C39 WeakPolarHBondContact CB-SG 3.33Å; C29-C39 WeakPolarHBondContact SG-CB 3.39Å; C29-C39 CovalentContact SG-SG 2.02Å; C29-C39 PolarHBondContact SG-SG 3.03Å
30W83.7Confident85.4Confident130 Ų13071.1 Ų71.149%0.49240%0.396SS..SBendtrans-109.4126.1172.5-177.1-94000110.5P19 V21 I28 A32P19-W30 WeakPolarHBondContact O-CB 3.35Å; P19-W30 PolarHBondContact O-N 3.11Å; P19-W30 VanDerWaalsContact O-N 3.11Å; V21-W30 HydrophobicContact CB-CB 4.24Å; V21-W30 HydrophobicContact CG1-CB 3.53Å; V21-W30 HydrophobicContact CG1-CD2 4.1Å; V21-W30 HydrophobicContact CG1-CE3 4.4Å; V21-W30 HydrophobicContact CG1-CG 3.75Å; V21-W30 HydrophobicContact CG2-CB 3.81Å; V21-W30 HydrophobicContact CG2-CD2 4.2Å; V21-W30 HydrophobicContact CG2-CE3 3.71Å; V21-W30 HydrophobicContact CG2-CG 4.29Å; I28-W30 PolarHBondContact O-N 2.78Å; W30-A32 PolarHBondContact O-N 3.45Å
31N79.9Confident85.4Confident135 Ų13572.5 Ų72.572%0.72241%0.405SS*.SBendtrans46.333.5-178.2-73-12.3000114
32A81.4Confident85.2Confident24 Ų2475.7 Ų75.720%0.19842%0.421CS..SBendtrans-134.3144.9-175.300000109.8P19 C29 W30 C39 V40 V41P19-A32 HydrophobicContact CB-CB 4.15Å; P19-A32 HydrophobicContact CG-CB 4.11Å; C29-A32 HydrophobicContact CB-CB 4.25Å; W30-A32 PolarHBondContact O-N 3.45Å; A32-C39 HydrophobicContact CB-CB 3.88Å; A32-V40 CarbonylContact C-O 3.56Å; A32-V40 WeakPolarHBondContact CA-O 3.33Å; A32-V41 HydrophobicContact CB-CG2 3.56Å
33K83.2Confident85.1Confident139 Ų13975.4 Ų75.460%0.60442%0.419SS*.EExtended strand (participates in β ladder)trans-78.2137.7171.3-68.6178.8-177.5162.90109.4A35 V40 D42K33-A35 PolarHBondContact O-N 2.99Å; K33-V40 PolarHBondContact N-O 3.28Å; K33-V40 PolarHBondContact O-N 2.77Å; K33-D42 VanDerWaalsContact CD-OD2 3.31Å; K33-D42 WeakPolarHBondContact CD-OD2 3.2Å; K33-D42 WeakPolarHBondContact CE-OD2 3.43Å; K33-D42 IonicContact NZ-OD2 2.67Å; K33-D42 PolarHBondContact NZ-OD2 2.85Å
34R84Confident84.7Confident152 Ų15276.4 Ų76.457%0.57442%0.424SS*.EExtended strand (participates in β ladder)trans-79.4116173.4-173.9174.4-179.3177.62.5109.6I8 G36I8-R34 HydrophobicContact CD1-CG 3.92Å; R34-G36 WeakPolarHBondContact CG-O 3.29Å; R34-G36 PolarHBondContact NE-O 3.4Å
35A83.6Confident84.2Confident51 Ų5175.5 Ų75.542%0.42143%0.427SS..EExtended strand (participates in β ladder)trans-112.295.4170.300000108.2K33 N37 T38 V40K33-A35 PolarHBondContact O-N 2.99Å; A35-N37 PolarHBondContact O-N 3.17Å; A35-T38 CarbonylContact C-O 3.57Å; A35-T38 PolarHBondContact N-O 3.28Å; A35-T38 PolarHBondContact O-N 2.03Å; A35-T38 VanDerWaalsContact O-N 3.11Å; A35-T38 VanDerWaalsContact O-O 3.12Å; A35-T38 PolarHBondContact O-OG1 2.83Å; A35-V40 HydrophobicContact CB-CG2 3.72Å
36G83.4Confident83.4Confident55 Ų5576.9 Ų76.957%0.56744%0.441SS*.THydrogen-bonded Turntrans62.9-122.4-173.600000112.9R34 T38R34-G36 WeakPolarHBondContact CG-O 3.29Å; R34-G36 PolarHBondContact NE-O 3.4Å; G36-T38 VanDerWaalsContact C-N 3.35Å
37N83.2Confident83Confident132 Ų13276.5 Ų76.571%0.70644%0.44SS*.THydrogen-bonded Turntrans-92.27.9176.7-85.78.8000113.8I8 A35I8-N37 WeakPolarHBondContact CD1-O 3.43Å; I8-N37 WeakPolarHBondContact CG1-O 3.06Å; A35-N37 PolarHBondContact O-N 3.17Å
38T80.3Confident82.4Confident90 Ų9078.9 Ų78.955%0.55246%0.456SS*.EExtended strand (participates in β ladder)trans-120.7147.6-178.941.90000111.7A35 G36A35-T38 CarbonylContact C-O 3.57Å; A35-T38 PolarHBondContact N-O 3.28Å; A35-T38 PolarHBondContact O-N 2.03Å; A35-T38 VanDerWaalsContact O-N 3.11Å; A35-T38 VanDerWaalsContact O-O 3.12Å; A35-T38 PolarHBondContact O-OG1 2.83Å; G36-T38 VanDerWaalsContact C-N 3.35Å
39C83.2Confident81.6Confident20 Ų2078.5 Ų78.514%0.13546%0.455CS..EExtended strand (participates in β ladder)trans-97.5125.1173.8-570000108.9P19 L20 C29 A32P19-C39 HydrophobicContact CG-CB 3.48Å; P19-C39 VanDerWaalsContact CG-CB 3.48Å; L20-C39 WeakPolarHBondContact CD2-SG 3.02Å; C29-C39 WeakPolarHBondContact CA-SG 3.18Å; C29-C39 HydrophobicContact CB-CB 3.84Å; C29-C39 WeakPolarHBondContact CB-SG 3.33Å; C29-C39 WeakPolarHBondContact SG-CB 3.39Å; C29-C39 CovalentContact SG-SG 2.02Å; C29-C39 PolarHBondContact SG-SG 3.03Å; A32-C39 HydrophobicContact CB-CB 3.88Å
40V84.5Confident80.7Confident65 Ų6580.5 Ų80.539%0.39447%0.466SS..EExtended strand (participates in β ladder)trans-114.5124.7-178.7-178.80000108.7A32 K33 A35A32-V40 CarbonylContact C-O 3.56Å; A32-V40 WeakPolarHBondContact CA-O 3.33Å; K33-V40 PolarHBondContact N-O 3.28Å; K33-V40 PolarHBondContact O-N 2.77Å; A35-V40 HydrophobicContact CB-CG2 3.72Å
41V84.3Confident80Confident36 Ų3676.1 Ų76.122%0.21846%0.461CS..  trans-97.8124.2173.1-179.20000108.4P19 A32 C43 L49P19-V41 HydrophobicContact CB-CG2 3.7Å; P19-V41 HydrophobicContact CG-CG2 4.16Å; A32-V41 HydrophobicContact CB-CG2 3.56Å; V41-C43 PolarHBondContact O-N 3.03Å; V41-L49 HydrophobicContact CB-CD1 4.25Å; V41-L49 HydrophobicContact CB-CD2 4.32Å; V41-L49 HydrophobicContact CG1-CD1 4.14Å; V41-L49 HydrophobicContact CG2-CD1 4.03Å; V41-L49 HydrophobicContact CG2-CD2 3.83Å; V41-L49 HydrophobicContact CG2-CG 4.47Å
42D82.8Confident79.7Confident101 Ų10174.2 Ų74.254%0.5445%0.447SS..  trans-80.391.8173.5-64.8-39.2000109K33K33-D42 VanDerWaalsContact CD-OD2 3.31Å; K33-D42 WeakPolarHBondContact CD-OD2 3.2Å; K33-D42 WeakPolarHBondContact CE-OD2 3.43Å; K33-D42 IonicContact NZ-OD2 2.67Å; K33-D42 PolarHBondContact NZ-OD2 2.85Å
43C82.6Confident79.5Confident33 Ų3378.6 Ų78.622%0.22346%0.464CS..PPolyproline II helixtrans-79.9148.2172-69.40000111.5V41 E47 C54V41-C43 PolarHBondContact O-N 3.03Å; C43-E47 HydrophobicContact CB-CB 4.06Å; C43-C54 WeakPolarHBondContact CA-SG 3.42Å; C43-C54 HydrophobicContact CB-CB 3.73Å; C43-C54 WeakPolarHBondContact CB-SG 3.47Å; C43-C54 WeakPolarHBondContact SG-CB 3.01Å; C43-C54 CovalentContact SG-SG 2.05Å; C43-C54 PolarHBondContact SG-SG 2.83Å
44P82.3Confident79.4Confident66 Ų6673.9 Ų73.943%0.42945%0.448SS..PPolyproline II helixtrans-51.9152.9171-2532.9000112.5G46 E47P44-G46 PolarHBondContact O-N 3.41Å; P44-E47 HydrophobicContact CB-CG 4.37Å; P44-E47 WeakPolarHBondContact CD-OE2 3.47Å; P44-E47 WeakPolarHBondContact CG-OE2 3.45Å; P44-E47 WeakPolarHBondContact O-CB 3.42Å; P44-E47 PolarHBondContact O-N 2.86Å
45P77.4Confident79.3Confident140 Ų14070.9 Ų70.991%0.90944%0.439SS*.THydrogen-bonded Turntrans-53.4124.2176.1-24.533.3000112.1
46G72.2Confident79.2Confident60 Ų6072 Ų7262%0.61943%0.434SS*.THydrogen-bonded Turntrans91.3-2.7-178.200000115.1P44 A57P44-G46 PolarHBondContact O-N 3.41Å; G46-A57 PolarHBondContact O-N 2.96Å
47E83Confident79.1Confident76 Ų7670.1 Ų70.136%0.35541%0.413SS..EExtended strand (participates in β ladder)trans-105.6156.3172.6-62.3-170.617300111.7C43 P44 C54 K55C43-E47 HydrophobicContact CB-CB 4.06Å; P44-E47 HydrophobicContact CB-CG 4.37Å; P44-E47 WeakPolarHBondContact CD-OE2 3.47Å; P44-E47 WeakPolarHBondContact CG-OE2 3.45Å; P44-E47 WeakPolarHBondContact O-CB 3.42Å; P44-E47 PolarHBondContact O-N 2.86Å; E47-C54 HydrophobicContact CB-CB 4.23Å; E47-C54 WeakPolarHBondContact OE2-CB 3.36Å; E47-K55 CarbonylContact C-O 3.38Å; E47-K55 VanDerWaalsContact CA-O 3.23Å; E47-K55 WeakPolarHBondContact CA-O 3.42Å; E47-K55 WeakPolarHBondContact CB-O 3.03Å
48S78.7Confident79.4Confident49 Ų4964.5 Ų64.534%0.34338%0.384SS..EExtended strand (participates in β ladder)trans-135.8154.5171-59.40000109.9V50 K55 A57S48-V50 PolarHBondContact O-N 2.96Å; S48-K55 PolarHBondContact N-O 2.93Å; S48-K55 PolarHBondContact O-N 3.18Å; S48-A57 VanDerWaalsContact CB-CB 3.5Å; S48-A57 WeakPolarHBondContact OG-CB 3.41Å
49L71.5Confident79.8Confident58 Ų5867 Ų6730%0.30438%0.384SS..EExtended strand (participates in β ladder)trans-69.4112.8179.1-176.673.7000110.2P19 V41P19-L49 HydrophobicContact CB-CD2 3.71Å; P19-L49 HydrophobicContact CG-CD2 4.27Å; V41-L49 HydrophobicContact CB-CD1 4.25Å; V41-L49 HydrophobicContact CB-CD2 4.32Å; V41-L49 HydrophobicContact CG1-CD1 4.14Å; V41-L49 HydrophobicContact CG2-CD1 4.03Å; V41-L49 HydrophobicContact CG2-CD2 3.83Å; V41-L49 HydrophobicContact CG2-CG 4.47Å
50V69.4Low80.2Confident79 Ų7967.2 Ų67.248%0.47938%0.384SS..EExtended strand (participates in β ladder)trans-113.9105.5173-178.70000108.4S48 H52 E53 K55S48-V50 PolarHBondContact O-N 2.96Å; V50-H52 PolarHBondContact O-N 3.48Å; V50-E53 PolarHBondContact N-O 2.97Å; V50-E53 PolarHBondContact O-N 2.98Å; V50-K55 HydrophobicContact CB-CB 4.37Å; V50-K55 HydrophobicContact CB-CD 4.28Å; V50-K55 HydrophobicContact CB-CG 4.47Å; V50-K55 HydrophobicContact CG2-CB 4.2Å
51G68.7Low80.6Confident38 Ų3865.9 Ų65.939%0.39238%0.383SS..THydrogen-bonded Turntrans70.8-114.2-168.800000110P18P18-G51 WeakPolarHBondContact CB-O 3.47Å
52H73Confident80.9Confident94 Ų9465.3 Ų65.344%0.43539%0.385SS..THydrogen-bonded Turntrans-115.48.9179.2-59.992000113.1V50V50-H52 PolarHBondContact O-N 3.48Å
53E77.3Confident81.4Confident117 Ų11765 Ų6555%0.54739%0.386SS..EExtended strand (participates in β ladder)trans-121.8138.4-176-67.7173.3171.400109.5V50 K55V50-E53 PolarHBondContact N-O 2.97Å; V50-E53 PolarHBondContact O-N 2.98Å; E53-K55 HydrophobicContact CB-CG 4.37Å; E53-K55 PolarHBondContact O-N 3.04Å; E53-K55 WeakPolarHBondContact OE2-CE 3.25Å; E53-K55 IonicContact OE2-NZ 3.76Å; E53-K55 PolarHBondContact OE2-NZ 2.81Å
54C81.7Confident81.9Confident40 Ų4063.4 Ų63.427%0.2738%0.376SS..EExtended strand (participates in β ladder)trans-71.9124.6166.3-65.80000108.3C43 E47C43-C54 WeakPolarHBondContact CA-SG 3.42Å; C43-C54 HydrophobicContact CB-CB 3.73Å; C43-C54 WeakPolarHBondContact CB-SG 3.47Å; C43-C54 WeakPolarHBondContact SG-CB 3.01Å; C43-C54 CovalentContact SG-SG 2.05Å; C43-C54 PolarHBondContact SG-SG 2.83Å; E47-C54 HydrophobicContact CB-CB 4.23Å; E47-C54 WeakPolarHBondContact OE2-CB 3.36Å
55K82.3Confident82.4Confident88 Ų8863.2 Ų63.238%0.38338%0.376SS..EExtended strand (participates in β ladder)trans-131.1150.4178.7-66.5-171.4178.5175.30109.5E47 S48 V50 E53 A57E47-K55 CarbonylContact C-O 3.38Å; E47-K55 VanDerWaalsContact CA-O 3.23Å; E47-K55 WeakPolarHBondContact CA-O 3.42Å; E47-K55 WeakPolarHBondContact CB-O 3.03Å; S48-K55 PolarHBondContact N-O 2.93Å; S48-K55 PolarHBondContact O-N 3.18Å; V50-K55 HydrophobicContact CB-CB 4.37Å; V50-K55 HydrophobicContact CB-CD 4.28Å; V50-K55 HydrophobicContact CB-CG 4.47Å; V50-K55 HydrophobicContact CG2-CB 4.2Å; E53-K55 HydrophobicContact CB-CG 4.37Å; E53-K55 PolarHBondContact O-N 3.04Å; E53-K55 WeakPolarHBondContact OE2-CE 3.25Å; E53-K55 IonicContact OE2-NZ 3.76Å; E53-K55 PolarHBondContact OE2-NZ 2.81Å; K55-A57 PolarHBondContact O-N 3.13Å
56K81.6Confident83.1Confident75 Ų7561.4 Ų61.433%0.32636%0.359SS..EExtended strand (participates in β ladder)trans-55.6123.7170.9-165.3-175.5169.6-160.60109V58 V63 D69K56-V58 HydrophobicContact CD-CG2 4.11Å; K56-V58 HydrophobicContact CG-CG2 3.94Å; K56-V63 PolarHBondContact NZ-O 2.96Å; K56-D69 HydrophobicContact CD-CB 4.49Å; K56-D69 WeakPolarHBondContact CD-OD2 3.37Å; K56-D69 IonicContact NZ-OD2 2.77Å; K56-D69 PolarHBondContact NZ-OD2 2.86Å
57A81.9Confident83.9Confident15 Ų1561.3 Ų61.312%0.12434%0.344CS..  trans-120.893.3-172.900000109.1G46 S48 K55 T71G46-A57 PolarHBondContact O-N 2.96Å; S48-A57 VanDerWaalsContact CB-CB 3.5Å; S48-A57 WeakPolarHBondContact OG-CB 3.41Å; K55-A57 PolarHBondContact O-N 3.13Å; A57-T71 HydrophobicContact CB-CG2 3.54Å
58V88.9Confident83.9Confident14 Ų1462.1 Ų62.19%0.08536%0.358CS..BIsolated β-bridgetrans-99.2118.3-175-174.70000109.5K56 V63 C64 D69 C70 T71 C82K56-V58 HydrophobicContact CD-CG2 4.11Å; K56-V58 HydrophobicContact CG-CG2 3.94Å; V58-V63 WeakPolarHBondContact CG2-O 2.94Å; V58-C64 HydrophobicContact CG1-CB 4.47Å; V58-D69 HydrophobicContact CB-CB 4.33Å; V58-D69 WeakPolarHBondContact CB-O 3.49Å; V58-D69 HydrophobicContact CG2-CB 3.86Å; V58-D69 PolarHBondContact N-O 3.26Å; V58-C70 WeakPolarHBondContact O-CA 3.41Å; V58-T71 PolarHBondContact O-N 3.05Å; V58-T71 PolarHBondContact O-OG1 3.07Å; V58-C82 HydrophobicContact CG1-CB 4.38Å; V58-C82 WeakPolarHBondContact CG1-SG 3.28Å
59Y89.3Confident84.3Confident143 Ų14360.7 Ų60.756%0.56135%0.347SS*.PPolyproline II helixtrans-71.6161.4172.8-64.5-76.2000111.7G61 G62Y59-G61 PolarHBondContact O-N 3.23Å; Y59-G62 WeakPolarHBondContact O-CA 3.32Å; Y59-G62 PolarHBondContact O-N 3.29Å
60L91.5Very high85.2Confident24 Ų2458.7 Ų58.713%0.12634%0.337CS..THydrogen-bonded Turntrans-50.6135.2177.5-70.9179.5000112.4G62 A72 C82 C95L60-G62 PolarHBondContact O-N 3.18Å; L60-A72 HydrophobicContact CD1-CB 4.2Å; L60-A72 HydrophobicContact CD2-CB 3.91Å; L60-A72 HydrophobicContact CG-CB 3.87Å; L60-C82 HydrophobicContact CD2-CB 4.47Å; L60-C95 VanDerWaalsContact CD2-SG 3.53Å
61G91.4Very high85.9Confident37 Ų3757.9 Ų57.938%0.38133%0.333SS..THydrogen-bonded Turntrans81.5-15.8-174.100000114.9Y59 R81 C82Y59-G61 PolarHBondContact O-N 3.23Å; G61-R81 PolarHBondContact O-NH1 2.94Å; G61-C82 PolarHBondContact N-O 3.06Å
62G92Very high86.7Confident25 Ų2556.7 Ų56.726%0.25832%0.319SS..SBendtrans-71.5165.1177.600000113.5Y59 L60 R81 C82Y59-G62 WeakPolarHBondContact O-CA 3.32Å; Y59-G62 PolarHBondContact O-N 3.29Å; L60-G62 PolarHBondContact O-N 3.18Å; G62-R81 VanDerWaalsContact O-CA 3.23Å; G62-R81 WeakPolarHBondContact O-CA 3.5Å; G62-C82 PolarHBondContact O-N 2.81Å
63V93.4Very high87.1Confident93 Ų9353 Ų5356%0.56431%0.305SS*.BIsolated β-bridgetrans-84.1119.3-175.2-177.30000111.6K56 V58 K80K56-V63 PolarHBondContact NZ-O 2.96Å; V58-V63 WeakPolarHBondContact CG2-O 2.94Å; V63-K80 VanDerWaalsContact CA-O 3.29Å; V63-K80 WeakPolarHBondContact CA-O 3.3Å
64C92.9Very high87.6Confident0 Ų048 Ų480%028%0.281CS..  trans-118.4154.5-177.857.10000111.9V58 D69 C77 K80 R81 C82V58-C64 HydrophobicContact CG1-CB 4.47Å; C64-D69 HydrophobicContact CB-CB 3.95Å; C64-C77 HydrophobicContact CB-CB 3.81Å; C64-C77 WeakPolarHBondContact CB-SG 3.39Å; C64-C77 PolarHBondContact O-SG 3.13Å; C64-C77 VanDerWaalsContact O-SG 3.32Å; C64-C77 WeakPolarHBondContact SG-CA 3.44Å; C64-C77 WeakPolarHBondContact SG-CB 3.44Å; C64-C77 CovalentContact SG-SG 2.03Å; C64-C77 PolarHBondContact SG-SG 2.81Å; C64-K80 PolarHBondContact N-O 3Å; C64-K80 VanDerWaalsContact O-CD 3.24Å; C64-K80 WeakPolarHBondContact O-CD 3.05Å; C64-K80 VanDerWaalsContact SG-C 3.5Å; C64-R81 PolarHBondContact SG-N 2.04Å; C64-R81 VanDerWaalsContact SG-N 3.43Å; C64-C82 VanDerWaalsContact CB-SG 3.57Å; C64-C82 PolarHBondContact SG-N 3.4Å
65S92.9Very high88Confident63 Ų6346.4 Ų46.444%0.44127%0.271SS..SBendtrans-96.3-42.9170.8-65.40000110.8D69S65-D69 PolarHBondContact N-OD2 2.92Å
66D90.8Very high88.5Confident101 Ų10144.8 Ų44.854%0.5427%0.265SS..SBendtrans-138.9161-174.4-64.1-65.8000111.2S68 D69 C77D66-S68 PolarHBondContact O-N 3.41Å; D66-D69 VanDerWaalsContact O-CB 3.28Å; D66-D69 WeakPolarHBondContact O-CB 3.45Å; D66-D69 PolarHBondContact O-N 3.03Å; D66-C77 WeakPolarHBondContact O-CB 3.43Å
67D89.1Confident89.1Confident58 Ų5842.3 Ų42.331%0.3126%0.257SS..G310 helixtrans-57.7-31.2179.4-72-6.2000113.7D69 C70 C77 K140D67-D69 PolarHBondContact O-N 3.46Å; D67-C70 PolarHBondContact O-N 3.23Å; D67-C77 PolarHBondContact OD1-N 3.36Å; D67-K140 IonicContact OD2-NZ 3.13Å; D67-K140 PolarHBondContact OD2-NZ 3.4Å
68S84.6Confident89.8Confident94 Ų9447 Ų4766%0.65727%0.274SS*.G310 helixtrans-69-18.1179.950.30000113.4D66 C70D66-S68 PolarHBondContact O-N 3.41Å; S68-C70 PolarHBondContact O-N 3.14Å
69D87.3Confident90Very high19 Ų1953.4 Ų53.410%0.10231%0.308CS..G310 helixtrans-68.4-27.9173.9-68.1-5.2000110.9K56 V58 C64 S65 D66 D67 T71K56-D69 HydrophobicContact CD-CB 4.49Å; K56-D69 WeakPolarHBondContact CD-OD2 3.37Å; K56-D69 IonicContact NZ-OD2 2.77Å; K56-D69 PolarHBondContact NZ-OD2 2.86Å; V58-D69 HydrophobicContact CB-CB 4.33Å; V58-D69 WeakPolarHBondContact CB-O 3.49Å; V58-D69 HydrophobicContact CG2-CB 3.86Å; V58-D69 PolarHBondContact N-O 3.26Å; C64-D69 HydrophobicContact CB-CB 3.95Å; S65-D69 PolarHBondContact N-OD2 2.92Å; D66-D69 VanDerWaalsContact O-CB 3.28Å; D66-D69 WeakPolarHBondContact O-CB 3.45Å; D66-D69 PolarHBondContact O-N 3.03Å; D67-D69 PolarHBondContact O-N 3.46Å; D69-T71 PolarHBondContact O-N 3.13Å
70C88.9Confident90.3Very high15 Ų1552.6 Ų52.610%0.10131%0.307CS..BIsolated β-bridgetrans-81.3120.8-171.9-57.70000111.4V58 D67 S68 S75 C82V58-C70 WeakPolarHBondContact O-CA 3.41Å; D67-C70 PolarHBondContact O-N 3.23Å; S68-C70 PolarHBondContact O-N 3.14Å; C70-S75 WeakPolarHBondContact CB-OG 3.31Å; C70-C82 WeakPolarHBondContact CA-SG 2.96Å; C70-C82 HydrophobicContact CB-CB 3.76Å; C70-C82 WeakPolarHBondContact CB-SG 3.32Å; C70-C82 WeakPolarHBondContact SG-CA 3.47Å; C70-C82 WeakPolarHBondContact SG-CB 3.41Å; C70-C82 CovalentContact SG-SG 2.04Å; C70-C82 PolarHBondContact SG-SG 3.11Å
71T84.5Confident90.5Very high63 Ų6358 Ų5839%0.38733%0.326SS..  trans-79.3-27.9-17255.40000113.9A57 V58 D69 A73A57-T71 HydrophobicContact CB-CG2 3.54Å; V58-T71 PolarHBondContact O-N 3.05Å; V58-T71 PolarHBondContact O-OG1 3.07Å; D69-T71 PolarHBondContact O-N 3.13Å; T71-A73 PolarHBondContact O-N 3.16Å
72A85.3Confident90.6Very high13 Ų1356.4 Ų56.411%0.10731%0.309CS..SBendtrans-69.2131.8-178.600000110.5L60 S75L60-A72 HydrophobicContact CD1-CB 4.2Å; L60-A72 HydrophobicContact CD2-CB 3.91Å; L60-A72 HydrophobicContact CG-CB 3.87Å; A72-S75 WeakPolarHBondContact O-CB 3.16Å; A72-S75 PolarHBondContact O-N 2.98Å; A72-S75 PolarHBondContact O-OG 3.42Å
73A81.7Confident90.8Very high17 Ų1757.5 Ų57.514%0.1431%0.311CS..THydrogen-bonded Turntrans-56.5143.9164.600000109.1T71 S75 C95 I143T71-A73 PolarHBondContact O-N 3.16Å; A73-S75 VanDerWaalsContact C-N 3.29Å; A73-S75 PolarHBondContact O-N 3.08Å; A73-C95 WeakPolarHBondContact O-CB 3.12Å; A73-I143 HydrophobicContact CB-CB 3.92Å; A73-I143 HydrophobicContact CB-CD1 4.29Å; A73-I143 HydrophobicContact CB-CG2 3.58Å
74F88.1Confident90.7Very high10 Ų1054.4 Ų54.44%0.04429%0.293CS..THydrogen-bonded Turntrans62.130.9-175.7-42.7-79.3000114.6C84 I85 S88 C95 T137 I143 H145F74-C84 WeakPolarHBondContact O-CA 3.38Å; F74-I85 HydrophobicContact CB-CD1 3.99Å; F74-I85 HydrophobicContact CB-CG1 3.95Å; F74-I85 HydrophobicContact CD1-CD1 4.05Å; F74-I85 WeakPolarHBondContact O-CG1 3.22Å; F74-I85 PolarHBondContact O-N 3.39Å; F74-S88 PolarHBondContact O-OG 2.99Å; F74-C95 HydrophobicContact CB-CB 3.9Å; F74-C95 WeakPolarHBondContact O-CB 3.4Å; F74-T137 WeakPolarHBondContact CE1-O 3.34Å; F74-T137 WeakPolarHBondContact CZ-O 3.29Å; F74-I143 VanDerWaalsContact CZ-O 3.25Å; F74-I143 WeakPolarHBondContact CZ-O 3.47Å; F74-H145 AromaticContact CD2-NE2 3.38Å; F74-H145 WeakPolarHBondContact CD2-NE2 3.2Å; F74-H145 AromaticContact CE2-CD2 3.36Å; F74-H145 WeakPolarHBondContact CE2-CD2 3.07Å; F74-H145 AromaticContact CE2-CE1 3.81Å; F74-H145 AromaticContact CE2-NE2 3.03Å; F74-H145 WeakPolarHBondContact CE2-NE2 3.22Å; F74-H145 AromaticContact CZ-CD2 3.66Å; F74-H145 AromaticContact CZ-NE2 3.83Å
75S90.6Very high90.6Very high7 Ų757 Ų575%0.04931%0.306CS..EExtended strand (participates in β ladder)trans-112.7154.417068.30000112.2C70 A72 A73 T83C70-S75 WeakPolarHBondContact CB-OG 3.31Å; A72-S75 WeakPolarHBondContact O-CB 3.16Å; A72-S75 PolarHBondContact O-N 2.98Å; A72-S75 PolarHBondContact O-OG 3.42Å; A73-S75 VanDerWaalsContact C-N 3.29Å; A73-S75 PolarHBondContact O-N 3.08Å; S75-T83 CarbonylContact C-O 3.59Å; S75-T83 WeakPolarHBondContact CA-O 3.45Å; S75-T83 WeakPolarHBondContact CB-O 3.44Å
76E92Very high90.3Very high54 Ų5458.7 Ų58.725%0.25232%0.324SS..EExtended strand (participates in β ladder)trans-134.3155.7174.462.4-178.4-168.600109.7K78 T83 I85E76-K78 HydrophobicContact CG-CB 4.3Å; E76-K78 PolarHBondContact O-N 2.83Å; E76-K78 IonicContact OE1-NZ 2.63Å; E76-T83 PolarHBondContact N-O 3.02Å; E76-T83 PolarHBondContact O-N 2.6Å; E76-I85 HydrophobicContact CB-CG2 3.81Å; E76-I85 HydrophobicContact CG-CG2 3.8Å
77C94.2Very high89.9Confident24 Ų2457.1 Ų57.116%0.16233%0.331CS..EExtended strand (participates in β ladder)trans-8589.5173.8-173.10000109.8C64 D66 D67C64-C77 HydrophobicContact CB-CB 3.81Å; C64-C77 WeakPolarHBondContact CB-SG 3.39Å; C64-C77 PolarHBondContact O-SG 3.13Å; C64-C77 VanDerWaalsContact O-SG 3.32Å; C64-C77 WeakPolarHBondContact SG-CA 3.44Å; C64-C77 WeakPolarHBondContact SG-CB 3.44Å; C64-C77 CovalentContact SG-SG 2.03Å; C64-C77 PolarHBondContact SG-SG 2.81Å; D66-C77 WeakPolarHBondContact O-CB 3.43Å; D67-C77 PolarHBondContact OD1-N 3.36Å
78K95.7Very high89.8Confident112 Ų11255.3 Ų55.349%0.48732%0.324SS..EExtended strand (participates in β ladder)trans-106.2128.7179.9-165.1173.5-171.5162.30110.3E76 K80 R81 T83E76-K78 HydrophobicContact CG-CB 4.3Å; E76-K78 PolarHBondContact O-N 2.83Å; E76-K78 IonicContact OE1-NZ 2.63Å; K78-K80 PolarHBondContact O-N 3.29Å; K78-R81 PolarHBondContact N-O 2.83Å; K78-R81 PolarHBondContact O-N 3.3Å; K78-T83 WeakPolarHBondContact CB-OG1 3.02Å
79N94.3Very high90.1Very high149 Ų14954.8 Ų54.880%0.79731%0.308SS*.THydrogen-bonded Turntrans52.542.3-178-59.7-31.8000112.9R81N79-R81 PolarHBondContact O-N 3.37Å; N79-R81 VanDerWaalsContact O-N 3.16Å
80K95.2Very high90.2Very high127 Ų12758.3 Ų58.355%0.55233%0.327SS*.THydrogen-bonded Turntrans60.118.9-176.9-62-66.4-177.5-173.70114.6V63 C64 K78V63-K80 VanDerWaalsContact CA-O 3.29Å; V63-K80 WeakPolarHBondContact CA-O 3.3Å; C64-K80 PolarHBondContact N-O 3Å; C64-K80 VanDerWaalsContact O-CD 3.24Å; C64-K80 WeakPolarHBondContact O-CD 3.05Å; C64-K80 VanDerWaalsContact SG-C 3.5Å; K78-K80 PolarHBondContact O-N 3.29Å
81R95.5Very high90.2Very high138 Ų13864.9 Ų64.952%0.52135%0.349SS..EExtended strand (participates in β ladder)trans-128.5142.5173.2-67.8-175.4179.5-89.51.8111.7G61 G62 C64 K78 N79 T83G61-R81 PolarHBondContact O-NH1 2.94Å; G62-R81 VanDerWaalsContact O-CA 3.23Å; G62-R81 WeakPolarHBondContact O-CA 3.5Å; C64-R81 PolarHBondContact SG-N 2.04Å; C64-R81 VanDerWaalsContact SG-N 3.43Å; K78-R81 PolarHBondContact N-O 2.83Å; K78-R81 PolarHBondContact O-N 3.3Å; N79-R81 PolarHBondContact O-N 3.37Å; N79-R81 VanDerWaalsContact O-N 3.16Å; R81-T83 HydrophobicContact CB-CG2 4.44Å; R81-T83 PolarHBondContact O-N 3.17Å
82C94.4Very high90.2Very high2 Ų264.3 Ų64.31%0.01436%0.356CS..EExtended strand (participates in β ladder)trans-70.5116173-69.60000109.9V58 L60 G61 G62 C64 C70V58-C82 HydrophobicContact CG1-CB 4.38Å; V58-C82 WeakPolarHBondContact CG1-SG 3.28Å; L60-C82 HydrophobicContact CD2-CB 4.47Å; G61-C82 PolarHBondContact N-O 3.06Å; G62-C82 PolarHBondContact O-N 2.81Å; C64-C82 VanDerWaalsContact CB-SG 3.57Å; C64-C82 PolarHBondContact SG-N 3.4Å; C70-C82 WeakPolarHBondContact CA-SG 2.96Å; C70-C82 HydrophobicContact CB-CB 3.76Å; C70-C82 WeakPolarHBondContact CB-SG 3.32Å; C70-C82 WeakPolarHBondContact SG-CA 3.47Å; C70-C82 WeakPolarHBondContact SG-CB 3.41Å; C70-C82 CovalentContact SG-SG 2.04Å; C70-C82 PolarHBondContact SG-SG 3.11Å
83T94.7Very high90.2Very high48 Ų4872.3 Ų72.329%0.29439%0.385SS..EExtended strand (participates in β ladder)trans-132158.8-178.961.60000111S75 E76 K78 R81S75-T83 CarbonylContact C-O 3.59Å; S75-T83 WeakPolarHBondContact CA-O 3.45Å; S75-T83 WeakPolarHBondContact CB-O 3.44Å; E76-T83 PolarHBondContact N-O 3.02Å; E76-T83 PolarHBondContact O-N 2.6Å; K78-T83 WeakPolarHBondContact CB-OG1 3.02Å; R81-T83 HydrophobicContact CB-CG2 4.44Å; R81-T83 PolarHBondContact O-N 3.17Å
84C92.9Very high90.4Very high29 Ų2974.7 Ų74.720%0.19640%0.4CS..EExtended strand (participates in β ladder)trans-67.9138.4175.5-59.30000111.8F74 S88 C95F74-C84 WeakPolarHBondContact O-CA 3.38Å; C84-S88 WeakPolarHBondContact CB-OG 3.45Å; C84-C95 WeakPolarHBondContact CA-SG 3.43Å; C84-C95 HydrophobicContact CB-CB 3.7Å; C84-C95 WeakPolarHBondContact CB-SG 2.94Å; C84-C95 VanDerWaalsContact SG-CA 3.58Å; C84-C95 WeakPolarHBondContact SG-CB 3.37Å; C84-C95 CovalentContact SG-SG 2.03Å; C84-C95 PolarHBondContact SG-SG 3.01Å
85I90.6Very high90.5Very high54 Ų5474.3 Ų74.328%0.27740%0.399SS..PPolyproline II helixtrans-67.4161.6175.567.1178.2000110.7F74 E76 G87 S88F74-I85 HydrophobicContact CB-CD1 3.99Å; F74-I85 HydrophobicContact CB-CG1 3.95Å; F74-I85 HydrophobicContact CD1-CD1 4.05Å; F74-I85 WeakPolarHBondContact O-CG1 3.22Å; F74-I85 PolarHBondContact O-N 3.39Å; E76-I85 HydrophobicContact CB-CG2 3.81Å; E76-I85 HydrophobicContact CG-CG2 3.8Å; I85-G87 PolarHBondContact O-N 3.15Å; I85-S88 PolarHBondContact N-OG 3.33Å; I85-S88 PolarHBondContact O-N 3.45Å; I85-S88 VanDerWaalsContact O-N 3.08Å; I85-S88 PolarHBondContact O-OG 2.94Å
86A85.8Confident90.4Very high99 Ų9974.5 Ų74.582%0.81840%0.4SS*.THydrogen-bonded Turntrans-54137.2173.400000112.1S88A86-S88 VanDerWaalsContact C-N 3.3Å
87G83Confident90Very high67 Ų6772.3 Ų72.369%0.69139%0.391SS*.THydrogen-bonded Turntrans82.21.9-175.500000114.8I85I85-G87 PolarHBondContact O-N 3.15Å
88S87.3Confident89.7Confident21 Ų2174.2 Ų74.215%0.14740%0.402CS..EExtended strand (participates in β ladder)trans-123.5156.8171.470.80000111.4F74 C84 I85 A86 V96F74-S88 PolarHBondContact O-OG 2.99Å; C84-S88 WeakPolarHBondContact CB-OG 3.45Å; I85-S88 PolarHBondContact N-OG 3.33Å; I85-S88 PolarHBondContact O-N 3.45Å; I85-S88 VanDerWaalsContact O-N 3.08Å; I85-S88 PolarHBondContact O-OG 2.94Å; A86-S88 VanDerWaalsContact C-N 3.3Å; S88-V96 CarbonylContact C-O 3.49Å; S88-V96 VanDerWaalsContact CA-O 3.23Å; S88-V96 WeakPolarHBondContact CA-O 3Å; S88-V96 WeakPolarHBondContact CB-O 3.41Å
89Y89.4Confident89.2Confident82 Ų8269 Ų6932%0.32238%0.38SS..EExtended strand (participates in β ladder)trans-128.4153.3-179.965.2-85.1000111.5R91 C95 V96 T98 I104Y89-R91 HydrophobicContact CE2-CB 4.47Å; Y89-R91 PolarHBondContact O-N 3.32Å; Y89-C95 WeakPolarHBondContact O-CA 3.47Å; Y89-V96 HydrophobicContact CD1-CB 4.5Å; Y89-V96 WeakPolarHBondContact CD1-O 3.22Å; Y89-V96 HydrophobicContact CE1-CB 4.03Å; Y89-V96 HydrophobicContact CE1-CG1 4.01Å; Y89-V96 WeakPolarHBondContact CE1-O 3.03Å; Y89-V96 HydrophobicContact CE2-CB 4.3Å; Y89-V96 PolarHBondContact N-O 3.47Å; Y89-V96 PolarHBondContact O-N 2.86Å; Y89-T98 HydrophobicContact CE1-CG2 4Å; Y89-I104 WeakPolarHBondContact OH-CG2 3.2Å
90N90.9Very high88.6Confident94 Ų9466.8 Ų66.850%0.50337%0.373SS..EExtended strand (participates in β ladder)trans-71.9128.1178.7-178.7-44.3000110.1G92N90-G92 PolarHBondContact ND2-O 2.95Å; N90-G92 PolarHBondContact OD1-N 3.48Å; N90-G92 PolarHBondContact OD1-O 3.1Å
91R87.2Confident88Confident152 Ų15264.4 Ų64.457%0.57437%0.367SS*.EExtended strand (participates in β ladder)trans-126.580.3167.4-169-179.9179.5176.2-0.9109.6Y89 Y93 S94 V96Y89-R91 HydrophobicContact CE2-CB 4.47Å; Y89-R91 PolarHBondContact O-N 3.32Å; R91-Y93 PolarHBondContact O-N 2.03Å; R91-S94 PolarHBondContact N-O 3.46Å; R91-S94 PolarHBondContact O-N 2.82Å; R91-V96 HydrophobicContact CB-CG2 3.72Å
92G85.5Confident87.5Confident52 Ų5260.4 Ų60.454%0.53637%0.368SS..THydrogen-bonded Turntrans74-111.3-177.500000111.4N90N90-G92 PolarHBondContact ND2-O 2.95Å; N90-G92 PolarHBondContact OD1-N 3.48Å; N90-G92 PolarHBondContact OD1-O 3.1Å
93Y85.4Confident87.1Confident180 Ų18061.9 Ų61.971%0.70638%0.378SS*.THydrogen-bonded Turntrans-97.95.7179.4-62.6-72.6000113.8R91R91-Y93 PolarHBondContact O-N 2.03Å
94S86.7Confident86.7Confident67 Ų6764.5 Ų64.547%0.46939%0.39SS..EExtended strand (participates in β ladder)trans-124.9150.2-178.2-59.40000111.7R91R91-S94 PolarHBondContact N-O 3.46Å; R91-S94 PolarHBondContact O-N 2.82Å
95C88.8Confident86.4Confident3 Ų363.4 Ų63.42%0.0238%0.382CS..EExtended strand (participates in β ladder)trans-95.4138165.9-600000109.4L60 A73 F74 C84 Y89L60-C95 VanDerWaalsContact CD2-SG 3.53Å; A73-C95 WeakPolarHBondContact O-CB 3.12Å; F74-C95 HydrophobicContact CB-CB 3.9Å; F74-C95 WeakPolarHBondContact O-CB 3.4Å; C84-C95 WeakPolarHBondContact CA-SG 3.43Å; C84-C95 HydrophobicContact CB-CB 3.7Å; C84-C95 WeakPolarHBondContact CB-SG 2.94Å; C84-C95 VanDerWaalsContact SG-CA 3.58Å; C84-C95 WeakPolarHBondContact SG-CB 3.37Å; C84-C95 CovalentContact SG-SG 2.03Å; C84-C95 PolarHBondContact SG-SG 3.01Å; Y89-C95 WeakPolarHBondContact O-CA 3.47Å
96V88.6Confident85.7Confident10 Ų1071.2 Ų71.26%0.06141%0.408CS..EExtended strand (participates in β ladder)trans-122.7122.9-176.3-178.60000108.8S88 Y89 R91 P105S88-V96 CarbonylContact C-O 3.49Å; S88-V96 VanDerWaalsContact CA-O 3.23Å; S88-V96 WeakPolarHBondContact CA-O 3Å; S88-V96 WeakPolarHBondContact CB-O 3.41Å; Y89-V96 HydrophobicContact CD1-CB 4.5Å; Y89-V96 WeakPolarHBondContact CD1-O 3.22Å; Y89-V96 HydrophobicContact CE1-CB 4.03Å; Y89-V96 HydrophobicContact CE1-CG1 4.01Å; Y89-V96 WeakPolarHBondContact CE1-O 3.03Å; Y89-V96 HydrophobicContact CE2-CB 4.3Å; Y89-V96 PolarHBondContact N-O 3.47Å; Y89-V96 PolarHBondContact O-N 2.86Å; R91-V96 HydrophobicContact CB-CG2 3.72Å; V96-P105 HydrophobicContact CG1-CG 3.35Å
97A84.8Confident85.6Confident8 Ų869 Ų697%0.06639%0.386CS..EExtended strand (participates in β ladder)trans-88.8138.1168.900000110.1P105 T137 H145A97-P105 WeakPolarHBondContact O-CD 3.26Å; A97-P105 VanDerWaalsContact O-CG 3.29Å; A97-P105 WeakPolarHBondContact O-CG 3.37Å; A97-T137 HydrophobicContact CB-CG2 4.24Å; A97-H145 PolarHBondContact N-CD2 3.23Å; A97-H145 PolarHBondContact N-NE2 2.95Å; A97-H145 VanDerWaalsContact N-NE2 3.12Å
98T86.1Confident85.5Confident64 Ų6470 Ų7039%0.39338%0.38SS..PPolyproline II helixtrans-68149.3173.548.20000110.8Y89Y89-T98 HydrophobicContact CE1-CG2 4Å
99C85.7Confident85.3Confident3 Ų369.2 Ų69.22%0.0237%0.374CS..PPolyproline II helixtrans-67.7161.4172.7-67.50000111.3D101 G102 S103 C147C99-D101 WeakPolarHBondContact CB-OD1 2.82Å; C99-D101 PolarHBondContact O-N 2.03Å; C99-D101 VanDerWaalsContact O-N 3.11Å; C99-G102 WeakPolarHBondContact O-CA 3.44Å; C99-G102 PolarHBondContact O-N 2.92Å; C99-S103 WeakPolarHBondContact CB-O 3.39Å; C99-S103 VanDerWaalsContact CB-OG 3.32Å; C99-S103 WeakPolarHBondContact CB-OG 3.07Å; C99-S103 PolarHBondContact N-O 3.27Å; C99-C147 WeakPolarHBondContact CA-SG 3.1Å; C99-C147 HydrophobicContact CB-CB 3.67Å; C99-C147 WeakPolarHBondContact CB-SG 3.39Å; C99-C147 WeakPolarHBondContact SG-CA 3.45Å; C99-C147 WeakPolarHBondContact SG-CB 3.44Å; C99-C147 CovalentContact SG-SG 2.04Å; C99-C147 PolarHBondContact SG-SG 2.79Å
100P81.4Confident84.7Confident102 Ų10272.8 Ų72.866%0.66239%0.387SS*.THydrogen-bonded Turntrans-58.7-24.2-178.9-26.636.1000114.6G102 M136P100-G102 VanDerWaalsContact C-N 3.3Å; P100-M136 HydrophobicContact CG-CE 4.23Å; P100-M136 HydrophobicContact CG-CG 4.43Å
101D82.7Confident83.6Confident78 Ų7870 Ų7042%0.41737%0.37SS..THydrogen-bonded Turntrans-84.91.2174.369.8-33.7000113.5C99 S103 Y150C99-D101 WeakPolarHBondContact CB-OD1 2.82Å; C99-D101 PolarHBondContact O-N 2.03Å; C99-D101 VanDerWaalsContact O-N 3.11Å; D101-S103 VanDerWaalsContact C-N 3.29Å; D101-S103 VanDerWaalsContact CG-OG 3.25Å; D101-S103 PolarHBondContact O-N 2.77Å; D101-S103 WeakPolarHBondContact OD1-CB 2.94Å; D101-S103 PolarHBondContact OD1-N 3.06Å; D101-S103 VanDerWaalsContact OD1-N 3.13Å; D101-S103 PolarHBondContact OD1-OG 2.84Å; D101-S103 VanDerWaalsContact OD2-CB 3.28Å; D101-S103 WeakPolarHBondContact OD2-CB 3.39Å; D101-S103 PolarHBondContact OD2-OG 3.26Å; D101-S103 VanDerWaalsContact OD2-OG 3.05Å; D101-Y150 HydrophobicContact CB-CE2 4.31Å; D101-Y150 WeakPolarHBondContact OD2-CE2 3.45Å
102G85.2Confident82.5Confident53 Ų5365.3 Ų65.355%0.54636%0.358SS..SBendtrans82.2-1-175.200000114.5C99 P100C99-G102 WeakPolarHBondContact O-CA 3.44Å; C99-G102 PolarHBondContact O-N 2.92Å; P100-G102 VanDerWaalsContact C-N 3.3Å
103S87.1Confident81Confident33 Ų3367.3 Ų67.323%0.23136%0.356CS..PPolyproline II helixtrans-70.7156.4178.469.20000112.3C99 D101C99-S103 WeakPolarHBondContact CB-O 3.39Å; C99-S103 VanDerWaalsContact CB-OG 3.32Å; C99-S103 WeakPolarHBondContact CB-OG 3.07Å; C99-S103 PolarHBondContact N-O 3.27Å; D101-S103 VanDerWaalsContact C-N 3.29Å; D101-S103 VanDerWaalsContact CG-OG 3.25Å; D101-S103 PolarHBondContact O-N 2.77Å; D101-S103 WeakPolarHBondContact OD1-CB 2.94Å; D101-S103 PolarHBondContact OD1-N 3.06Å; D101-S103 VanDerWaalsContact OD1-N 3.13Å; D101-S103 PolarHBondContact OD1-OG 2.84Å; D101-S103 VanDerWaalsContact OD2-CB 3.28Å; D101-S103 WeakPolarHBondContact OD2-CB 3.39Å; D101-S103 PolarHBondContact OD2-OG 3.26Å; D101-S103 VanDerWaalsContact OD2-OG 3.05Å
104I85.9Confident79.3Confident103 Ų10366.2 Ų66.253%0.52836%0.358SS..PPolyproline II helixtrans-81.6125.7174.2-61.1173.8000108.2Y89Y89-I104 WeakPolarHBondContact OH-CG2 3.2Å
105P86.9Confident77.1Confident6 Ų669.2 Ų69.24%0.03937%0.368CS..PPolyproline II helixtrans-66.3146.9178.429.3-37.7000112V96 A97 H145V96-P105 HydrophobicContact CG1-CG 3.35Å; A97-P105 WeakPolarHBondContact O-CD 3.26Å; A97-P105 VanDerWaalsContact O-CG 3.29Å; A97-P105 WeakPolarHBondContact O-CG 3.37Å; P105-H145 HydrophobicContact CB-CB 3.53Å; P105-H145 HydrophobicContact CG-CB 3.84Å
106R76.4Confident74.8Confident218 Ų21874.4 Ų74.482%0.82340%0.395SS*.SBendtrans-81.1-36-177.9-70.6-167.3174-157.3-1113.2
107S82.7Confident72.6Confident52 Ų5279.1 Ų79.136%0.36443%0.425SS..SBendtrans-151.7163.2-175.355.20000111.2C146S107-C146 PolarHBondContact O-N 3.21Å
108T81.9Confident70.6Confident89 Ų8985.2 Ų85.255%0.54646%0.457SS..EExtended strand (participates in β ladder)trans-79.6151.6166.751.50000110.2I143 G144T108-I143 HydrophobicContact CG2-CG2 4.45Å; T108-G144 CarbonylContact C-O 3.44Å; T108-G144 WeakPolarHBondContact CA-O 3.46Å
109C81.2Confident68.6Low4 Ų483.1 Ų83.13%0.02745%0.447CS..EExtended strand (participates in β ladder)trans-130.2163.5174.850.10000112.1T128 C129 C135 I143 G144 H145 C146C109-T128 VanDerWaalsContact CA-OG1 3.28Å; C109-T128 WeakPolarHBondContact CA-OG1 3.3Å; C109-C129 WeakPolarHBondContact CB-SG 3.34Å; C109-C135 HydrophobicContact CB-CB 3.74Å; C109-C135 WeakPolarHBondContact CB-SG 3.21Å; C109-C135 WeakPolarHBondContact SG-CA 3.38Å; C109-C135 WeakPolarHBondContact SG-CB 3Å; C109-C135 CovalentContact SG-SG 2.02Å; C109-C135 PolarHBondContact SG-SG 3.41Å; C109-I143 CarbonylContact O-C 3.58Å; C109-I143 WeakPolarHBondContact O-CA 3.4Å; C109-G144 PolarHBondContact N-O 3.05Å; C109-G144 PolarHBondContact O-N 3.39Å; C109-G144 VanDerWaalsContact SG-CA 3.55Å; C109-G144 PolarHBondContact SG-O 3.17Å; C109-H145 PolarHBondContact SG-N 3.09Å; C109-C146 VanDerWaalsContact CB-SG 3.51Å
110R76.8Confident66.7Low158 Ų15885.7 Ų85.760%0.59647%0.468SS*.EExtended strand (participates in β ladder)trans-127.2150.4172.9-161.2174.8-177.7177.30.7110.1D127 T128 N142R110-D127 WeakPolarHBondContact O-CA 2.94Å; R110-T128 HydrophobicContact CB-CG2 4.31Å; R110-T128 PolarHBondContact N-OG1 2.97Å; R110-T128 PolarHBondContact O-N 3.33Å; R110-N142 WeakPolarHBondContact CA-O 3.4Å
111K68.5Low65Low35 Ų3583.6 Ų83.615%0.15245%0.451CS..BIsolated β-bridgetrans-70.1130.5168.4-163.1178.4-165.4174.50110.2L113 Y138 N142K111-L113 WeakPolarHBondContact CD-O 3.28Å; K111-L113 WeakPolarHBondContact CE-O 3.36Å; K111-L113 WeakPolarHBondContact CG-O 3.41Å; K111-Y138 HydrophobicContact CB-CE1 4.27Å; K111-N142 HydrophobicContact CB-CB 4.1Å; K111-N142 PolarHBondContact N-O 3.5Å
112T64Low63.1Low53 Ų5386.3 Ų86.333%0.32546%0.459SS..  trans-90-22.4-177.1-47.30000112.5V2 M126V2-T112 HydrophobicContact CB-CG2 4.47Å; T112-M126 PolarHBondContact N-O 3.41Å
113L55.2Low61.2Low94 Ų9487 Ų8749%0.49245%0.453SS..  trans-146.7148.2177.1-105.5106.1000114.5K111K111-L113 WeakPolarHBondContact CD-O 3.28Å; K111-L113 WeakPolarHBondContact CE-O 3.36Å; K111-L113 WeakPolarHBondContact CG-O 3.41Å
114Q48.5Very low59.5Low157 Ų15789.8 Ų89.873%0.73446%0.462SS*.  trans-82.6126.8163.9-75.5171.5-24.200108.4L116Q114-L116 PolarHBondContact O-N 3.48Å
115L41.1Very low58Low130 Ų13087.9 Ų87.968%0.68146%0.456SS*.  trans-9.1102.9169.4-69.8136.9000114.8
116L41.2Very low56.8Low113 Ų11389 Ų8959%0.59246%0.461SS*.  trans-86.4122.1139.8-74.9163.3000105.1Q114 D118 A119Q114-L116 PolarHBondContact O-N 3.48Å; L116-D118 PolarHBondContact O-N 3.25Å; L116-A119 HydrophobicContact CB-CB 3.86Å; L116-A119 PolarHBondContact O-N 2.88Å
117P42.3Very low56.6Low108 Ų10879.2 Ų79.270%0.70143%0.425SS*.G310 helixtrans-49.7-33.5179.3-26.733.4000112.8
118D41.4Very low56.4Low136 Ų13680.3 Ų80.373%0.72743%0.429SS*.G310 helixtrans-85.6-11.5-178.7-62.2-34.9000114.3L116 F122L116-D118 PolarHBondContact O-N 3.25Å; D118-F122 VanDerWaalsContact O-CD2 3.28Å; D118-F122 WeakPolarHBondContact O-CD2 3.38Å
119A44.5Very low56.4Low21 Ų2176.7 Ų76.717%0.17441%0.408CS..G310 helixtrans-80.5-16.1-178.700000113.8L116 D121 F122 V123L116-A119 HydrophobicContact CB-CB 3.86Å; L116-A119 PolarHBondContact O-N 2.88Å; A119-D121 PolarHBondContact O-N 2.9Å; A119-F122 PolarHBondContact O-N 3.5Å; A119-F122 VanDerWaalsContact O-N 3.09Å; A119-V123 HydrophobicContact CB-CG2 4.46Å; A119-V123 PolarHBondContact O-N 3.14Å
120A46.2Very low56.4Low57 Ų5779.7 Ų79.747%0.47143%0.427SS..G310 helixtrans-62.2-24-179.800000113.2
121D45.5Very low56.6Low58 Ų5877.9 Ų77.931%0.3143%0.434SS..G310 helixtrans-88-13.9177.9-102-6.2000113.4A119 K164 K191A119-D121 PolarHBondContact O-N 2.9Å; D121-K164 IonicContact OD2-NZ 2.81Å; D121-K164 PolarHBondContact OD2-NZ 2.69Å; D121-K191 IonicContact OD1-NZ 3.2Å; D121-K191 PolarHBondContact OD1-NZ 3.44Å
122F43.4Very low57.2Low134 Ų13477 Ų7759%0.58844%0.435SS*.THydrogen-bonded Turntrans-116.3-23.4-168.6-68.5-83.4000115.6D118 A119D118-F122 VanDerWaalsContact O-CD2 3.28Å; D118-F122 WeakPolarHBondContact O-CD2 3.38Å; A119-F122 PolarHBondContact O-N 3.5Å; A119-F122 VanDerWaalsContact O-N 3.09Å
123V45.1Very low58.3Low68 Ų6875.9 Ų75.941%0.41243%0.426SS..  trans-107.6109.2-174.3-1740000110A119 T125 M126A119-V123 HydrophobicContact CB-CG2 4.46Å; A119-V123 PolarHBondContact O-N 3.14Å; V123-T125 WeakPolarHBondContact CG1-O 3.5Å; V123-T125 PolarHBondContact O-N 2.03Å; V123-M126 HydrophobicContact CB-CG 4.25Å; V123-M126 HydrophobicContact CG1-CG 4.02Å
124Q51.2Low59.6Low91 Ų9171.6 Ų71.643%0.42540%0.403SS..SBendtrans-61.8-26.9178.1-75.3-167.2-17.300113.3S161Q124-S161 VanDerWaalsContact NE2-CA 3.34Å; Q124-S161 PolarHBondContact NE2-OG 3.11Å
125T53.7Low61.2Low64 Ų6464.1 Ų64.139%0.39337%0.368SS..  trans-145.6110.1178.550.30000111.5V123 D127V123-T125 WeakPolarHBondContact CG1-O 3.5Å; V123-T125 PolarHBondContact O-N 2.03Å; T125-D127 PolarHBondContact O-N 2.94Å
126M62.7Low63.1Low29 Ų2958.8 Ų58.814%0.14334%0.34CS..SBendtrans-86.824.8172.1-74.9-162.4-75.700112.5T112 V123T112-M126 PolarHBondContact N-O 3.41Å; V123-M126 HydrophobicContact CB-CG 4.25Å; V123-M126 HydrophobicContact CG1-CG 4.02Å
127D72Confident64.3Low13 Ų1356 Ų567%0.0733%0.328CS..BIsolated β-bridgetrans-135.6176.5-172.662.244.4000112.7R110 T125 C129 C135R110-D127 WeakPolarHBondContact O-CA 2.94Å; T125-D127 PolarHBondContact O-N 2.94Å; D127-C129 VanDerWaalsContact C-N 3.31Å; D127-C129 VanDerWaalsContact OD1-CB 3.23Å; D127-C129 WeakPolarHBondContact OD1-CB 3.37Å; D127-C129 PolarHBondContact OD1-N 3.38Å; D127-C135 HydrophobicContact CB-CB 3.37Å; D127-C135 VanDerWaalsContact OD2-CB 3.32Å; D127-C135 WeakPolarHBondContact OD2-CB 2.98Å; D127-C135 PolarHBondContact OD2-N 2.83Å
128T77.2Confident65.4Low74 Ų7453 Ų5345%0.45430%0.303SS..SBendtrans-9113.617860.90000113C109 R110C109-T128 VanDerWaalsContact CA-OG1 3.28Å; C109-T128 WeakPolarHBondContact CA-OG1 3.3Å; R110-T128 HydrophobicContact CB-CG2 4.31Å; R110-T128 PolarHBondContact N-OG1 2.97Å; R110-T128 PolarHBondContact O-N 3.33Å
129C81.9Confident66.5Low14 Ų1447.1 Ų47.110%0.09527%0.274CS..PPolyproline II helixtrans-79.1149.5-176.9-67.90000112.1C109 D127 Q133 C146C109-C129 WeakPolarHBondContact CB-SG 3.34Å; D127-C129 VanDerWaalsContact C-N 3.31Å; D127-C129 VanDerWaalsContact OD1-CB 3.23Å; D127-C129 WeakPolarHBondContact OD1-CB 3.37Å; D127-C129 PolarHBondContact OD1-N 3.38Å; C129-Q133 HydrophobicContact CB-CB 3.96Å; C129-C146 WeakPolarHBondContact CA-SG 3.47Å; C129-C146 HydrophobicContact CB-CB 3.91Å; C129-C146 WeakPolarHBondContact CB-SG 3Å; C129-C146 WeakPolarHBondContact SG-CA 3.47Å; C129-C146 WeakPolarHBondContact SG-CB 3.5Å; C129-C146 CovalentContact SG-SG 2.05Å; C129-C146 PolarHBondContact SG-SG 2.75Å
130P82.8Confident67.5Low66 Ų6651.9 Ų51.943%0.42929%0.291SS..PPolyproline II helixtrans-66.7159.9172.630.5-35.3000110.7G132 Q133P130-G132 PolarHBondContact O-N 3.2Å; P130-Q133 HydrophobicContact CG-CB 4.29Å; P130-Q133 HydrophobicContact CG-CG 4.24Å; P130-Q133 VanDerWaalsContact CG-OE1 3.32Å; P130-Q133 WeakPolarHBondContact O-CB 3.28Å; P130-Q133 PolarHBondContact O-N 2.03Å
131T80.8Confident68.3Low121 Ų12153.7 Ų53.774%0.74230%0.298SS*.THydrogen-bonded Turntrans-52.1135.2176.3-48.40000111.4Q133 L158T131-Q133 VanDerWaalsContact C-N 3.32Å; T131-L158 HydrophobicContact CG2-CB 4.08Å; T131-L158 HydrophobicContact CG2-CD1 4.07Å; T131-L158 HydrophobicContact CG2-CD2 4.5Å; T131-L158 HydrophobicContact CG2-CG 4.43Å
132G81.4Confident69.5Low17 Ų1754.6 Ų54.618%0.17530%0.303CS..THydrogen-bonded Turntrans83.94.6-174.600000114.4P130 I149P130-G132 PolarHBondContact O-N 3.2Å; G132-I149 PolarHBondContact O-N 2.99Å
133Q86.2Confident71Confident28 Ų2850.7 Ų50.713%0.13129%0.288CS..EExtended strand (participates in β ladder)trans-127.1153.5171.4-63.9176.212.700110.3C129 P130 T131 C146 C147C129-Q133 HydrophobicContact CB-CB 3.96Å; P130-Q133 HydrophobicContact CG-CB 4.29Å; P130-Q133 HydrophobicContact CG-CG 4.24Å; P130-Q133 VanDerWaalsContact CG-OE1 3.32Å; P130-Q133 WeakPolarHBondContact O-CB 3.28Å; P130-Q133 PolarHBondContact O-N 2.03Å; T131-Q133 VanDerWaalsContact C-N 3.32Å; Q133-C146 HydrophobicContact CB-CB 4.2Å; Q133-C147 CarbonylContact C-O 3.55Å; Q133-C147 WeakPolarHBondContact CA-O 3.16Å; Q133-C147 WeakPolarHBondContact CB-O 3.23Å
134M83.5Confident72.9Confident5 Ų547.5 Ų47.53%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-130.2147.1173.1-176.8169.667.300109.1M136 C147 I149 V183 N188 A190M134-M136 HydrophobicContact CE-CE 3.32Å; M134-M136 HydrophobicContact CE-SD 3.64Å; M134-M136 PolarHBondContact O-N 2.83Å; M134-M136 VanDerWaalsContact O-N 3.17Å; M134-C147 PolarHBondContact N-O 2.86Å; M134-C147 PolarHBondContact O-N 3.39Å; M134-I149 HydrophobicContact CB-CG2 3.43Å; M134-I149 VanDerWaalsContact CB-CG2 3.43Å; M134-V183 HydrophobicContact CE-CB 4.44Å; M134-V183 HydrophobicContact CE-CG1 3.75Å; M134-N188 HydrophobicContact SD-CB 4.2Å; M134-A190 HydrophobicContact SD-CB 3.82Å
135C81.3Confident74.6Confident0 Ų043.4 Ų43.40%025%0.249CC..EExtended strand (participates in β ladder)trans-71.6110.1175.6-164.10000110C109 D127 Y138C109-C135 HydrophobicContact CB-CB 3.74Å; C109-C135 WeakPolarHBondContact CB-SG 3.21Å; C109-C135 WeakPolarHBondContact SG-CA 3.38Å; C109-C135 WeakPolarHBondContact SG-CB 3Å; C109-C135 CovalentContact SG-SG 2.02Å; C109-C135 PolarHBondContact SG-SG 3.41Å; D127-C135 HydrophobicContact CB-CB 3.37Å; D127-C135 VanDerWaalsContact OD2-CB 3.32Å; D127-C135 WeakPolarHBondContact OD2-CB 2.98Å; D127-C135 PolarHBondContact OD2-N 2.83Å; C135-Y138 HydrophobicContact CB-CE1 4.44Å; C135-Y138 WeakPolarHBondContact CB-OH 3.32Å; C135-Y138 WeakPolarHBondContact SG-CE1 3Å; C135-Y138 PolarHBondContact SG-OH 3.48Å; C135-Y138 VanDerWaalsContact SG-OH 3.36Å
136M80.3Confident76.1Confident18 Ų1840.4 Ų40.49%0.08923%0.231CC..EExtended strand (participates in β ladder)trans-108.6167.4178.5-64.5-64.4-154.800110P100 M134 G144 H145 C147 V183 S185P100-M136 HydrophobicContact CG-CE 4.23Å; P100-M136 HydrophobicContact CG-CG 4.43Å; M134-M136 HydrophobicContact CE-CE 3.32Å; M134-M136 HydrophobicContact CE-SD 3.64Å; M134-M136 PolarHBondContact O-N 2.83Å; M134-M136 VanDerWaalsContact O-N 3.17Å; M136-G144 CarbonylContact O-C 3.35Å; M136-G144 VanDerWaalsContact O-CA 3.25Å; M136-G144 WeakPolarHBondContact O-CA 3.35Å; M136-H145 PolarHBondContact N-O 3.5Å; M136-H145 PolarHBondContact O-N 3.45Å; M136-C147 HydrophobicContact CB-CB 3.95Å; M136-C147 HydrophobicContact CG-CB 3.56Å; M136-V183 HydrophobicContact CE-CG1 4.33Å; M136-S185 VanDerWaalsContact SD-CB 3.57Å
137T67.7Low77.3Confident55 Ų5539 Ų3934%0.33722%0.224SC..EExtended strand (participates in β ladder)trans49.283171.147.30000112.7F74 A97 G144F74-T137 WeakPolarHBondContact CE1-O 3.34Å; F74-T137 WeakPolarHBondContact CZ-O 3.29Å; A97-T137 HydrophobicContact CB-CG2 4.24Å; T137-G144 VanDerWaalsContact O-CA 3.31Å; T137-G144 WeakPolarHBondContact O-CA 3.47Å
138Y64.6Low78Confident43 Ų4340 Ų4017%0.16923%0.231CC..EExtended strand (participates in β ladder)trans-85.2123-177.4-74.4-82000113.2K111 C135 N142 F187 N188K111-Y138 HydrophobicContact CB-CE1 4.27Å; C135-Y138 HydrophobicContact CB-CE1 4.44Å; C135-Y138 WeakPolarHBondContact CB-OH 3.32Å; C135-Y138 WeakPolarHBondContact SG-CE1 3Å; C135-Y138 PolarHBondContact SG-OH 3.48Å; C135-Y138 VanDerWaalsContact SG-OH 3.36Å; Y138-N142 HydrophobicContact CD1-CB 4.4Å; Y138-F187 HydrophobicContact CD2-CB 4.43Å; Y138-F187 AromaticContact CD2-CD2 3.59Å; Y138-F187 HydrophobicContact CD2-CD2 3.59Å; Y138-F187 HydrophobicContact CD2-CE2 4.34Å; Y138-F187 HydrophobicContact CD2-CG 4.42Å; Y138-F187 HydrophobicContact CE2-CB 4.31Å; Y138-F187 HydrophobicContact CE2-CD2 4.28Å; Y138-F187 HydrophobicContact CG-CD2 4.22Å; Y138-N188 WeakPolarHBondContact CE2-ND2 3.31Å; Y138-N188 PolarHBondContact OH-ND2 2.98Å
139G64.6Low78.4Confident13 Ų1337 Ų3713%0.13421%0.212CC..EExtended strand (participates in β ladder)trans-98.1-175.9165.900000112.6P141 N142 I143G139-P141 CarbonylContact O-C 3.53Å; G139-N142 PolarHBondContact O-N 3.17Å; G139-I143 WeakPolarHBondContact CA-O 3.37Å; G139-I143 PolarHBondContact N-O 3.45Å; G139-I143 PolarHBondContact O-N 3.45Å
140K66.3Low78.7Confident122 Ų12241.1 Ų41.153%0.5323%0.226SC..THydrogen-bonded Turntrans-76.5133.8-169.8-62.6-179.8-175.51750113.3D67D67-K140 IonicContact OD2-NZ 3.13Å; D67-K140 PolarHBondContact OD2-NZ 3.4Å
141P61.2Low79Confident94 Ų9438.5 Ų38.561%0.6121%0.21SC*.THydrogen-bonded Turncis-90.1123.5-39.632.8-25000110.6G139 I143G139-P141 CarbonylContact O-C 3.53Å; P141-I143 PolarHBondContact O-N 3.32Å
142N71.1Confident79.3Confident78 Ų7835.9 Ų35.942%0.41720%0.195SC..THydrogen-bonded Turntrans61.127.7176.2-49.3-64.7000114.8R110 K111 Y138 G139R110-N142 WeakPolarHBondContact CA-O 3.4Å; K111-N142 HydrophobicContact CB-CB 4.1Å; K111-N142 PolarHBondContact N-O 3.5Å; Y138-N142 HydrophobicContact CD1-CB 4.4Å; G139-N142 PolarHBondContact O-N 3.17Å
143I76.4Confident79.6Confident52 Ų5239.9 Ų39.927%0.26721%0.205SC..EExtended strand (participates in β ladder)trans-95114.6170.6-59.6174.5000107.2A73 F74 T108 C109 G139 P141A73-I143 HydrophobicContact CB-CB 3.92Å; A73-I143 HydrophobicContact CB-CD1 4.29Å; A73-I143 HydrophobicContact CB-CG2 3.58Å; F74-I143 VanDerWaalsContact CZ-O 3.25Å; F74-I143 WeakPolarHBondContact CZ-O 3.47Å; T108-I143 HydrophobicContact CG2-CG2 4.45Å; C109-I143 CarbonylContact O-C 3.58Å; C109-I143 WeakPolarHBondContact O-CA 3.4Å; G139-I143 WeakPolarHBondContact CA-O 3.37Å; G139-I143 PolarHBondContact N-O 3.45Å; G139-I143 PolarHBondContact O-N 3.45Å; P141-I143 PolarHBondContact O-N 3.32Å
144G84.5Confident79.6Confident0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-108.2-169175.300000112.4T108 C109 M136 T137T108-G144 CarbonylContact C-O 3.44Å; T108-G144 WeakPolarHBondContact CA-O 3.46Å; C109-G144 PolarHBondContact N-O 3.05Å; C109-G144 PolarHBondContact O-N 3.39Å; C109-G144 VanDerWaalsContact SG-CA 3.55Å; C109-G144 PolarHBondContact SG-O 3.17Å; M136-G144 CarbonylContact O-C 3.35Å; M136-G144 VanDerWaalsContact O-CA 3.25Å; M136-G144 WeakPolarHBondContact O-CA 3.35Å; T137-G144 VanDerWaalsContact O-CA 3.31Å; T137-G144 WeakPolarHBondContact O-CA 3.47Å
145H86.2Confident79.9Confident5 Ų547.1 Ų47.12%0.02325%0.253CS..EExtended strand (participates in β ladder)trans-116.7138.7166.4-72.7-63.9000111.4F74 A97 P105 C109 M136 C147F74-H145 AromaticContact CD2-NE2 3.38Å; F74-H145 WeakPolarHBondContact CD2-NE2 3.2Å; F74-H145 AromaticContact CE2-CD2 3.36Å; F74-H145 WeakPolarHBondContact CE2-CD2 3.07Å; F74-H145 AromaticContact CE2-CE1 3.81Å; F74-H145 AromaticContact CE2-NE2 3.03Å; F74-H145 WeakPolarHBondContact CE2-NE2 3.22Å; F74-H145 AromaticContact CZ-CD2 3.66Å; F74-H145 AromaticContact CZ-NE2 3.83Å; A97-H145 PolarHBondContact N-CD2 3.23Å; A97-H145 PolarHBondContact N-NE2 2.95Å; A97-H145 VanDerWaalsContact N-NE2 3.12Å; P105-H145 HydrophobicContact CB-CB 3.53Å; P105-H145 HydrophobicContact CG-CB 3.84Å; C109-H145 PolarHBondContact SG-N 3.09Å; M136-H145 PolarHBondContact N-O 3.5Å; M136-H145 PolarHBondContact O-N 3.45Å; H145-C147 PolarHBondContact O-N 3.4Å
146C86Confident80.3Confident1 Ų147.9 Ų47.91%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-72.8114.5171.8-66.90000109.7S107 C109 C129 Q133S107-C146 PolarHBondContact O-N 3.21Å; C109-C146 VanDerWaalsContact CB-SG 3.51Å; C129-C146 WeakPolarHBondContact CA-SG 3.47Å; C129-C146 HydrophobicContact CB-CB 3.91Å; C129-C146 WeakPolarHBondContact CB-SG 3Å; C129-C146 WeakPolarHBondContact SG-CA 3.47Å; C129-C146 WeakPolarHBondContact SG-CB 3.5Å; C129-C146 CovalentContact SG-SG 2.05Å; C129-C146 PolarHBondContact SG-SG 2.75Å; Q133-C146 HydrophobicContact CB-CB 4.2Å
147C86.5Confident80.8Confident0 Ų049.3 Ų49.30%027%0.266CS..EExtended strand (participates in β ladder)trans-114.7143.6178.5-71.60000110.4C99 Q133 M134 M136 H145C99-C147 WeakPolarHBondContact CA-SG 3.1Å; C99-C147 HydrophobicContact CB-CB 3.67Å; C99-C147 WeakPolarHBondContact CB-SG 3.39Å; C99-C147 WeakPolarHBondContact SG-CA 3.45Å; C99-C147 WeakPolarHBondContact SG-CB 3.44Å; C99-C147 CovalentContact SG-SG 2.04Å; C99-C147 PolarHBondContact SG-SG 2.79Å; Q133-C147 CarbonylContact C-O 3.55Å; Q133-C147 WeakPolarHBondContact CA-O 3.16Å; Q133-C147 WeakPolarHBondContact CB-O 3.23Å; M134-C147 PolarHBondContact N-O 2.86Å; M134-C147 PolarHBondContact O-N 3.39Å; M136-C147 HydrophobicContact CB-CB 3.95Å; M136-C147 HydrophobicContact CG-CB 3.56Å; H145-C147 PolarHBondContact O-N 3.4Å
148P87.1Confident81.7Confident34 Ų3450.6 Ų50.622%0.22127%0.27CS..EExtended strand (participates in β ladder)trans-60.9145.6175.328-34.6000110.6Y150P148-Y150 HydrophobicContact CB-CE1 4.36Å; P148-Y150 HydrophobicContact CB-CE2 3.68Å; P148-Y150 WeakPolarHBondContact CB-OH 3.36Å; P148-Y150 HydrophobicContact CG-CE2 3.55Å; P148-Y150 WeakPolarHBondContact CG-OH 3.32Å
149I86.1Confident82.9Confident12 Ų1252.3 Ų52.36%0.06229%0.288CS..  trans-107.6139.9172.966.6-154.7000109.5G132 M134 L192G132-I149 PolarHBondContact O-N 2.99Å; M134-I149 HydrophobicContact CB-CG2 3.43Å; M134-I149 VanDerWaalsContact CB-CG2 3.43Å; I149-L192 HydrophobicContact CB-CD1 3.94Å; I149-L192 HydrophobicContact CD1-CD1 4.37Å; I149-L192 HydrophobicContact CD1-CD2 3.52Å; I149-L192 HydrophobicContact CG1-CD1 3.87Å; I149-L192 HydrophobicContact CG1-CD2 3.93Å
150Y87.2Confident84.1Confident99 Ų9954.5 Ų54.539%0.38829%0.294SS..  trans-127.1149.4-174-62.2-74.7000111.3D101 P148D101-Y150 HydrophobicContact CB-CE2 4.31Å; D101-Y150 WeakPolarHBondContact OD2-CE2 3.45Å; P148-Y150 HydrophobicContact CB-CE1 4.36Å; P148-Y150 HydrophobicContact CB-CE2 3.68Å; P148-Y150 WeakPolarHBondContact CB-OH 3.36Å; P148-Y150 HydrophobicContact CG-CE2 3.55Å; P148-Y150 WeakPolarHBondContact CG-OH 3.32Å
151C90.6Very high85.1Confident11 Ų1149.7 Ų49.77%0.07428%0.276CS..  trans-83.1156163.9-73.10000110Y153 G154 P156 C194C151-Y153 PolarHBondContact O-N 2.72Å; C151-Y153 VanDerWaalsContact O-N 3.16Å; C151-G154 WeakPolarHBondContact CB-O 3.31Å; C151-P156 WeakPolarHBondContact SG-CA 3.02Å; C151-C194 VanDerWaalsContact CA-SG 3.56Å; C151-C194 HydrophobicContact CB-CB 3.63Å; C151-C194 WeakPolarHBondContact CB-SG 3.36Å; C151-C194 WeakPolarHBondContact SG-CA 3.25Å; C151-C194 WeakPolarHBondContact SG-CB 3.39Å; C151-C194 CovalentContact SG-SG 2.02Å; C151-C194 PolarHBondContact SG-SG 2.84Å
152P87.3Confident86.4Confident67 Ų6745.8 Ų45.844%0.43525%0.251SS..SBendtrans-57.5-29.4173.6-25.334.9000112.9F179P152-F179 HydrophobicContact CG-CZ 4.12Å
153Y86.9Confident87Confident100 Ų10043 Ų4339%0.39224%0.238SC..SBendtrans-131.395.7-179.9-49.8-74.8000109.7C151 P197 F205C151-Y153 PolarHBondContact O-N 2.72Å; C151-Y153 VanDerWaalsContact O-N 3.16Å; Y153-P197 HydrophobicContact CD1-CB 3.91Å; Y153-P197 HydrophobicContact CD1-CG 4.08Å; Y153-P197 HydrophobicContact CD2-CB 4.02Å; Y153-P197 VanDerWaalsContact CD2-CD 3.44Å; Y153-P197 HydrophobicContact CD2-CG 3.53Å; Y153-P197 HydrophobicContact CE1-CB 4.39Å; Y153-P197 HydrophobicContact CE1-CG 4.19Å; Y153-P197 HydrophobicContact CE2-CB 4.47Å; Y153-P197 HydrophobicContact CE2-CG 3.63Å; Y153-P197 HydrophobicContact CG-CB 3.7Å; Y153-P197 HydrophobicContact CG-CG 3.75Å; Y153-F205 AromaticContact CD1-CD1 3.93Å; Y153-F205 HydrophobicContact CD1-CD1 3.93Å; Y153-F205 AromaticContact CD1-CE1 3.91Å; Y153-F205 HydrophobicContact CD1-CE1 3.91Å; Y153-F205 AromaticContact CE1-CD1 3.4Å; Y153-F205 HydrophobicContact CE1-CD1 3.4Å; Y153-F205 AromaticContact CE1-CE1 3.73Å; Y153-F205 HydrophobicContact CE1-CE1 3.73Å; Y153-F205 HydrophobicContact CE1-CG 4.33Å
154G86.5Confident87.2Confident51 Ų5147.9 Ų47.953%0.52626%0.258SS..SBendtrans81-155.9177.100000114.2C151C151-G154 WeakPolarHBondContact CB-O 3.31Å
155Q88.5Confident87Confident135 Ų13550.8 Ų50.863%0.63129%0.287SS*.  trans-92.1147.8-174.3-63.7-60.7-46.800111.6
156P90.5Very high86.8Confident15 Ų1550.9 Ų50.910%0.09729%0.289CS..  trans-67.6141.3172.528.4-33.8000111.9C151 L158 L192C151-P156 WeakPolarHBondContact SG-CA 3.02Å; P156-L158 HydrophobicContact CB-CD2 4.08Å; P156-L158 HydrophobicContact CG-CD2 3.97Å; P156-L158 HydrophobicContact CG-CG 4.33Å; P156-L158 PolarHBondContact O-N 3.16Å; P156-L192 HydrophobicContact CB-CB 4.24Å; P156-L192 HydrophobicContact CB-CD1 4.35Å
157D91.4Very high86.9Confident49 Ų4954.3 Ų54.326%0.26231%0.311SS..  trans-81.597.3167.6-173.5-8.9000109.4S159 K160 C193D157-S159 PolarHBondContact O-N 2.63Å; D157-S159 WeakPolarHBondContact OD1-CB 2.99Å; D157-S159 PolarHBondContact OD1-N 2.92Å; D157-S159 PolarHBondContact OD1-OG 2.58Å; D157-S159 PolarHBondContact OD2-OG 2.85Å; D157-K160 HydrophobicContact CB-CG 4.39Å; D157-K160 PolarHBondContact O-N 3.06Å; D157-K160 VanDerWaalsContact OD2-CG 3.26Å; D157-K160 WeakPolarHBondContact OD2-CG 3.19Å; D157-C193 HydrophobicContact CB-CB 4.41Å; D157-C193 PolarHBondContact N-O 2.86Å
158L87.2Confident86.8Confident82 Ų8261.5 Ų61.543%0.42935%0.349SS..THydrogen-bonded Turntrans-77.4-5.6-178.3-56.7171.8000112.9T131 P156 K160T131-L158 HydrophobicContact CG2-CB 4.08Å; T131-L158 HydrophobicContact CG2-CD1 4.07Å; T131-L158 HydrophobicContact CG2-CD2 4.5Å; T131-L158 HydrophobicContact CG2-CG 4.43Å; P156-L158 HydrophobicContact CB-CD2 4.08Å; P156-L158 HydrophobicContact CG-CD2 3.97Å; P156-L158 HydrophobicContact CG-CG 4.33Å; P156-L158 PolarHBondContact O-N 3.16Å; L158-K160 VanDerWaalsContact C-N 3.27Å
159S88.4Confident86.9Confident79 Ų7963.6 Ų63.655%0.55237%0.365SS*.THydrogen-bonded Turntrans-81.7-10.1171.377.40000112.6D157D157-S159 PolarHBondContact O-N 2.63Å; D157-S159 WeakPolarHBondContact OD1-CB 2.99Å; D157-S159 PolarHBondContact OD1-N 2.92Å; D157-S159 PolarHBondContact OD1-OG 2.58Å; D157-S159 PolarHBondContact OD2-OG 2.85Å
160K89.6Confident87.1Confident58 Ų5866.5 Ų66.525%0.25238%0.38SS..  trans-113.5156.5-176.5-59.6-58-180-165.70112.6D157 L158 S169 D170 C172 C193D157-K160 HydrophobicContact CB-CG 4.39Å; D157-K160 PolarHBondContact O-N 3.06Å; D157-K160 VanDerWaalsContact OD2-CG 3.26Å; D157-K160 WeakPolarHBondContact OD2-CG 3.19Å; L158-K160 VanDerWaalsContact C-N 3.27Å; K160-S169 PolarHBondContact NZ-O 3.3Å; K160-D170 CarbonylContact C-O 3.53Å; K160-D170 VanDerWaalsContact CA-O 3.22Å; K160-D170 WeakPolarHBondContact CA-O 3.29Å; K160-C172 HydrophobicContact CB-CB 4.46Å; K160-C193 HydrophobicContact CB-CB 3.67Å
161S87.1Confident87.3Confident21 Ų2166.9 Ų66.915%0.14738%0.381CS..BIsolated β-bridgetrans-127.2136.6-176.7-177.20000112.3Q124 A163 D170 C172Q124-S161 VanDerWaalsContact NE2-CA 3.34Å; Q124-S161 PolarHBondContact NE2-OG 3.11Å; S161-A163 WeakPolarHBondContact OG-CB 3.44Å; S161-A163 PolarHBondContact OG-N 3.05Å; S161-D170 PolarHBondContact N-O 2.72Å; S161-C172 PolarHBondContact O-N 3.12Å
162C88.9Confident87.4Confident13 Ų1366.6 Ų66.69%0.08838%0.379CS..  trans-96.310.4174.4-72.60000113.2C180 K191 L192C162-C180 WeakPolarHBondContact CA-SG 3.39Å; C162-C180 HydrophobicContact CB-CB 3.69Å; C162-C180 WeakPolarHBondContact CB-SG 3.32Å; C162-C180 WeakPolarHBondContact SG-CA 3.38Å; C162-C180 WeakPolarHBondContact SG-CB 3.43Å; C162-C180 CovalentContact SG-SG 2.03Å; C162-C180 PolarHBondContact SG-SG 3.27Å; C162-K191 HydrophobicContact CB-CB 3.47Å; C162-K191 VanDerWaalsContact CB-CB 3.47Å; C162-K191 HydrophobicContact CB-CD 4.31Å; C162-L192 VanDerWaalsContact SG-C 3.59Å
163A83.1Confident87.6Confident18 Ų1865.3 Ų65.315%0.14937%0.371CS..  trans-75.2136.9176.500000110.4S161 G165 A166S161-A163 WeakPolarHBondContact OG-CB 3.44Å; S161-A163 PolarHBondContact OG-N 3.05Å; A163-G165 PolarHBondContact O-N 3.13Å; A163-A166 WeakPolarHBondContact O-CB 3.24Å; A163-A166 PolarHBondContact O-N 2.9Å
164K80.6Confident87.5Confident156 Ų15664.8 Ų64.868%0.67837%0.372SS*.THydrogen-bonded Turntrans-58.5-21.3-178.5-71.8174.3-178.7154.30113.7D121D121-K164 IonicContact OD2-NZ 2.81Å; D121-K164 PolarHBondContact OD2-NZ 2.69Å
165G80.9Confident87.2Confident60 Ų6070 Ų7062%0.61939%0.386SS*.THydrogen-bonded Turntrans-105.48.8178.800000115.7A163A163-G165 PolarHBondContact O-N 3.13Å
166A83.1Confident86.9Confident7 Ų767.8 Ų67.86%0.05838%0.382CS..  trans-62.7140.4-179.900000111.4A163 R171A163-A166 WeakPolarHBondContact O-CB 3.24Å; A163-A166 PolarHBondContact O-N 2.9Å; A166-R171 PolarHBondContact O-NH2 3.08Å
167P86.5Confident86.8Confident74 Ų7469.6 Ų69.648%0.48139%0.394SS..  trans-60151.4174.527.4-34.3000110.2S169 D170 R171P167-S169 PolarHBondContact O-N 2.78Å; P167-S169 VanDerWaalsContact O-N 3.13Å; P167-D170 HydrophobicContact CG-CB 3.96Å; P167-D170 VanDerWaalsContact CG-OD2 3.27Å; P167-D170 WeakPolarHBondContact CG-OD2 3.23Å; P167-D170 PolarHBondContact O-N 2.89Å; P167-R171 PolarHBondContact O-N 3.43Å
168L86.2Confident86.8Confident151 Ų15168.9 Ų68.979%0.79139%0.388SS*.THydrogen-bonded Turntrans-55.5-34.5-173.3-78.5160.3000113.4D170L168-D170 VanDerWaalsContact C-N 3.3Å; L168-D170 PolarHBondContact O-N 2.87Å
169S88.8Confident87Confident78 Ų7867.4 Ų67.455%0.54538%0.379SS..THydrogen-bonded Turntrans-64.1-35177.355.70000113K160 P167K160-S169 PolarHBondContact NZ-O 3.3Å; P167-S169 PolarHBondContact O-N 2.78Å; P167-S169 VanDerWaalsContact O-N 3.13Å
170D89.4Confident87.1Confident73 Ų7365.2 Ų65.239%0.3936%0.363SS..THydrogen-bonded Turntrans-102.9-6.4-171.2-52.4-11.3000110.7K160 S161 P167 L168K160-D170 CarbonylContact C-O 3.53Å; K160-D170 VanDerWaalsContact CA-O 3.22Å; K160-D170 WeakPolarHBondContact CA-O 3.29Å; S161-D170 PolarHBondContact N-O 2.72Å; P167-D170 HydrophobicContact CG-CB 3.96Å; P167-D170 VanDerWaalsContact CG-OD2 3.27Å; P167-D170 WeakPolarHBondContact CG-OD2 3.23Å; P167-D170 PolarHBondContact O-N 2.89Å; L168-D170 VanDerWaalsContact C-N 3.3Å; L168-D170 PolarHBondContact O-N 2.87Å
171R91.6Very high87.1Confident107 Ų10765.1 Ų65.140%0.40436%0.363SS..BIsolated β-bridgetrans-68138.5179.4-170.3174.4-64.2178.9-0.3111.1A166 P167A166-R171 PolarHBondContact O-NH2 3.08Å; P167-R171 PolarHBondContact O-N 3.43Å
172C92.1Very high87.1Confident5 Ų569.4 Ų69.43%0.03438%0.379CS..  trans-60.1130.2171.8-168.90000110.6K160 S161 E174 H178 C193K160-C172 HydrophobicContact CB-CB 4.46Å; S161-C172 PolarHBondContact O-N 3.12Å; C172-E174 HydrophobicContact CB-CG 4.15Å; C172-E174 PolarHBondContact O-N 3.22Å; C172-H178 VanDerWaalsContact SG-CB 3.55Å; C172-C193 VanDerWaalsContact CA-SG 3.5Å; C172-C193 HydrophobicContact CB-CB 3.73Å; C172-C193 WeakPolarHBondContact CB-SG 3.36Å; C172-C193 WeakPolarHBondContact SG-CA 3.4Å; C172-C193 WeakPolarHBondContact SG-CB 3.39Å; C172-C193 CovalentContact SG-SG 2.05Å; C172-C193 PolarHBondContact SG-SG 2.91Å
173P91.3Very high86.8Confident40 Ų4069.8 Ų69.826%0.2638%0.381SS..  trans-8066.6-178.233-36.5000111.5L175 T176 T177 H178P173-L175 PolarHBondContact O-N 2.95Å; P173-T176 PolarHBondContact O-N 2.93Å; P173-T177 WeakPolarHBondContact CG-OG1 3.46Å; P173-T177 PolarHBondContact O-N 3.25Å; P173-H178 HydrophobicContact CG-CB 3.96Å; P173-H178 WeakPolarHBondContact CG-ND1 2.9Å; P173-H178 PolarHBondContact O-N 2.03Å; P173-H178 VanDerWaalsContact O-N 3.11Å
174E86.9Confident86.5Confident88 Ų8875 Ų7541%0.41140%0.402SS..THydrogen-bonded Turntrans-62.7-25.4-172.2-67.3-178.9-102.500114.6C172 H178 R196C172-E174 HydrophobicContact CB-CG 4.15Å; C172-E174 PolarHBondContact O-N 3.22Å; E174-H178 CarbonylContact C-O 3.44Å; E174-H178 VanDerWaalsContact CA-O 3.23Å; E174-H178 WeakPolarHBondContact CA-O 2.98Å; E174-H178 VanDerWaalsContact O-O 3.11Å; E174-R196 PolarHBondContact O-NH2 3.5Å
175L79.3Confident85.9Confident160 Ų16069 Ų6984%0.83838%0.381SS*.THydrogen-bonded Turntrans-82.6-12.4-177.9-67.3174.7000113.8P173P173-L175 PolarHBondContact O-N 2.95Å
176T82.5Confident85.1Confident89 Ų8971.4 Ų71.455%0.54639%0.387SS..THydrogen-bonded Turntrans-131-58.1-170.459.10000113.3P173P173-T176 PolarHBondContact O-N 2.93Å
177T87.3Confident84Confident54 Ų5476.9 Ų76.933%0.33141%0.41SS..THydrogen-bonded Turntrans-125.8-20.9-165.851.90000113.6P173 R196P173-T177 WeakPolarHBondContact CG-OG1 3.46Å; P173-T177 PolarHBondContact O-N 3.25Å; T177-R196 WeakPolarHBondContact O-CB 3.4Å; T177-R196 PolarHBondContact O-N 2.83Å
178H91.7Very high82.9Confident33 Ų3373.8 Ų73.815%0.15339%0.39CS..EExtended strand (participates in β ladder)trans-127.4175.7-174.8-67.368.8000111.1C172 P173 E174 C194 A195 R196C172-H178 VanDerWaalsContact SG-CB 3.55Å; P173-H178 HydrophobicContact CG-CB 3.96Å; P173-H178 WeakPolarHBondContact CG-ND1 2.9Å; P173-H178 PolarHBondContact O-N 2.03Å; P173-H178 VanDerWaalsContact O-N 3.11Å; E174-H178 CarbonylContact C-O 3.44Å; E174-H178 VanDerWaalsContact CA-O 3.23Å; E174-H178 WeakPolarHBondContact CA-O 2.98Å; E174-H178 VanDerWaalsContact O-O 3.11Å; H178-C194 CarbonylContact C-O 3.53Å; H178-C194 WeakPolarHBondContact CA-O 3.16Å; H178-C194 VanDerWaalsContact CB-O 3.23Å; H178-C194 WeakPolarHBondContact CB-O 2.97Å; H178-C194 VanDerWaalsContact CD2-C 3.43Å; H178-C194 PolarHBondContact CD2-O 3.23Å; H178-A195 PolarHBondContact CD2-N 3.31Å; H178-R196 PolarHBondContact O-NE 3.44Å
179F90.8Very high82.2Confident52 Ų5268.2 Ų68.223%0.22837%0.366CS..EExtended strand (participates in β ladder)trans-146.9156.3168.670.6-79.2000108.8P152 H181 C194 R196P152-F179 HydrophobicContact CG-CZ 4.12Å; F179-H181 HydrophobicContact CD2-CB 4.27Å; F179-H181 HydrophobicContact CE2-CB 3.63Å; F179-H181 HydrophobicContact CZ-CB 4.24Å; F179-H181 PolarHBondContact O-N 3.16Å; F179-C194 HydrophobicContact CD1-CB 4.01Å; F179-C194 VanDerWaalsContact CD1-O 3.3Å; F179-C194 WeakPolarHBondContact CD1-O 3.23Å; F179-C194 HydrophobicContact CE1-CB 3.53Å; F179-C194 HydrophobicContact CE2-CB 4.22Å; F179-C194 HydrophobicContact CZ-CB 3.66Å; F179-C194 PolarHBondContact N-O 3.48Å; F179-C194 PolarHBondContact O-N 3.11Å; F179-R196 HydrophobicContact CD1-CG 3.98Å
180C91.6Very high81.7Confident32 Ų3264.9 Ų64.922%0.21634%0.342CS..EExtended strand (participates in β ladder)trans-88.1105.8176-75.90000111.2C162 L192C162-C180 WeakPolarHBondContact CA-SG 3.39Å; C162-C180 HydrophobicContact CB-CB 3.69Å; C162-C180 WeakPolarHBondContact CB-SG 3.32Å; C162-C180 WeakPolarHBondContact SG-CA 3.38Å; C162-C180 WeakPolarHBondContact SG-CB 3.43Å; C162-C180 CovalentContact SG-SG 2.03Å; C162-C180 PolarHBondContact SG-SG 3.27Å; C180-L192 CarbonylContact C-O 3.53Å; C180-L192 WeakPolarHBondContact CA-O 3.32Å
181H90.2Very high81.5Confident56 Ų5664.4 Ų64.426%0.25934%0.337SS..EExtended strand (participates in β ladder)trans-86.9126.5177.4-176.957.5000110.8F179 K191 L192 C194F179-H181 HydrophobicContact CD2-CB 4.27Å; F179-H181 HydrophobicContact CE2-CB 3.63Å; F179-H181 HydrophobicContact CZ-CB 4.24Å; F179-H181 PolarHBondContact O-N 3.16Å; H181-K191 CarbonylContact O-C 3.58Å; H181-K191 WeakPolarHBondContact O-CA 3.05Å; H181-L192 PolarHBondContact N-O 2.03Å; H181-L192 PolarHBondContact O-N 2.99Å; H181-C194 HydrophobicContact CB-CB 4.19Å; H181-C194 WeakPolarHBondContact CB-SG 3.47Å
182K86.5Confident81.4Confident111 Ų11159.9 Ų59.948%0.48332%0.321SS..EExtended strand (participates in β ladder)trans-86.2121.6174.2-166-173.8-168.2-172.20109.6E184 A190K182-E184 HydrophobicContact CD-CG 3.92Å; K182-E184 WeakPolarHBondContact CE-OE1 3.07Å; K182-E184 HydrophobicContact CG-CG 4Å; K182-E184 IonicContact NZ-OE1 2.8Å; K182-E184 PolarHBondContact NZ-OE1 3.04Å; K182-A190 WeakPolarHBondContact CA-O 3.23Å
183V82.3Confident81.4Confident22 Ų2259.8 Ų59.813%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-105.1120.4169.6-175.80000107.6M134 M136 A189 A190 L192M134-V183 HydrophobicContact CE-CB 4.44Å; M134-V183 HydrophobicContact CE-CG1 3.75Å; M136-V183 HydrophobicContact CE-CG1 4.33Å; V183-A189 CarbonylContact O-C 3.5Å; V183-A189 VanDerWaalsContact O-CA 3.32Å; V183-A189 WeakPolarHBondContact O-CA 3.45Å; V183-A190 PolarHBondContact N-O 3.22Å; V183-A190 PolarHBondContact O-N 3.24Å; V183-L192 HydrophobicContact CG2-CD1 3.55Å; V183-L192 HydrophobicContact CG2-CG 4.08Å
184E76.4Confident81.4Confident126 Ų12657.9 Ų57.959%0.58931%0.307SS*.EExtended strand (participates in β ladder)trans-110.2140.3177.8-62.5-171.9139.200110.6K182 A189K182-E184 HydrophobicContact CD-CG 3.92Å; K182-E184 WeakPolarHBondContact CE-OE1 3.07Å; K182-E184 HydrophobicContact CG-CG 4Å; K182-E184 IonicContact NZ-OE1 2.8Å; K182-E184 PolarHBondContact NZ-OE1 3.04Å; E184-A189 HydrophobicContact CG-CB 4.16Å
185S69Low81.7Confident32 Ų3255.4 Ų55.422%0.22430%0.302CS..  trans-120.8175.3163.377.20000108.8M136 F187 N188M136-S185 VanDerWaalsContact SD-CB 3.57Å; S185-F187 PolarHBondContact O-N 2.79Å; S185-N188 PolarHBondContact N-O 3.12Å; S185-N188 PolarHBondContact OG-N 3.39Å; S185-N188 PolarHBondContact OG-O 3.01Å
186S64.7Low82.1Confident109 Ų10952.9 Ų52.976%0.76228%0.282SS*.SBendtrans-51.8-22-178.3-51.80000114.7
187F58.8Low82.3Confident122 Ų12250.9 Ų50.954%0.53527%0.27SS..SBendtrans-140-9.1-175.5-54.6-77.4000115.6Y138 S185Y138-F187 HydrophobicContact CD2-CB 4.43Å; Y138-F187 AromaticContact CD2-CD2 3.59Å; Y138-F187 HydrophobicContact CD2-CD2 3.59Å; Y138-F187 HydrophobicContact CD2-CE2 4.34Å; Y138-F187 HydrophobicContact CD2-CG 4.42Å; Y138-F187 HydrophobicContact CE2-CB 4.31Å; Y138-F187 HydrophobicContact CE2-CD2 4.28Å; Y138-F187 HydrophobicContact CG-CD2 4.22Å; S185-F187 PolarHBondContact O-N 2.79Å
188N63.3Low82.3Confident10 Ų1048.8 Ų48.85%0.05326%0.258CS..  trans-130.7147.4179.5-58.1-47.4000110.5M134 Y138 S185M134-N188 HydrophobicContact SD-CB 4.2Å; Y138-N188 WeakPolarHBondContact CE2-ND2 3.31Å; Y138-N188 PolarHBondContact OH-ND2 2.98Å; S185-N188 PolarHBondContact N-O 3.12Å; S185-N188 PolarHBondContact OG-N 3.39Å; S185-N188 PolarHBondContact OG-O 3.01Å
189A72.8Confident81.7Confident34 Ų3456.5 Ų56.528%0.28129%0.285SS..EExtended strand (participates in β ladder)trans-123.7135.1165.700000108.4V183 E184V183-A189 CarbonylContact O-C 3.5Å; V183-A189 VanDerWaalsContact O-CA 3.32Å; V183-A189 WeakPolarHBondContact O-CA 3.45Å; E184-A189 HydrophobicContact CG-CB 4.16Å
190A76.6Confident80.9Confident7 Ų761.4 Ų61.46%0.05831%0.309CS..EExtended strand (participates in β ladder)trans-121154.1171.400000109.3M134 K182 V183M134-A190 HydrophobicContact SD-CB 3.82Å; K182-A190 WeakPolarHBondContact CA-O 3.23Å; V183-A190 PolarHBondContact N-O 3.22Å; V183-A190 PolarHBondContact O-N 3.24Å
191K86.3Confident79.8Confident63 Ų6365.4 Ų65.427%0.27434%0.335SS..EExtended strand (participates in β ladder)trans-117.2123.7172.4-66.8177.1-175.21620109.2D121 C162 H181D121-K191 IonicContact OD1-NZ 3.2Å; D121-K191 PolarHBondContact OD1-NZ 3.44Å; C162-K191 HydrophobicContact CB-CB 3.47Å; C162-K191 VanDerWaalsContact CB-CB 3.47Å; C162-K191 HydrophobicContact CB-CD 4.31Å; H181-K191 CarbonylContact O-C 3.58Å; H181-K191 WeakPolarHBondContact O-CA 3.05Å
192L88.4Confident78.8Confident13 Ų1364.7 Ų64.77%0.06833%0.334CS..EExtended strand (participates in β ladder)trans-108.2137.6-177.5-53.8178.8000110I149 P156 C162 C180 H181 V183 C194I149-L192 HydrophobicContact CB-CD1 3.94Å; I149-L192 HydrophobicContact CD1-CD1 4.37Å; I149-L192 HydrophobicContact CD1-CD2 3.52Å; I149-L192 HydrophobicContact CG1-CD1 3.87Å; I149-L192 HydrophobicContact CG1-CD2 3.93Å; P156-L192 HydrophobicContact CB-CB 4.24Å; P156-L192 HydrophobicContact CB-CD1 4.35Å; C162-L192 VanDerWaalsContact SG-C 3.59Å; C180-L192 CarbonylContact C-O 3.53Å; C180-L192 WeakPolarHBondContact CA-O 3.32Å; H181-L192 PolarHBondContact N-O 2.03Å; H181-L192 PolarHBondContact O-N 2.99Å; V183-L192 HydrophobicContact CG2-CD1 3.55Å; V183-L192 HydrophobicContact CG2-CG 4.08Å; L192-C194 PolarHBondContact O-N 2.82Å
193C92Very high78.2Confident2 Ų262.8 Ų62.81%0.01434%0.335CS..EExtended strand (participates in β ladder)trans-78110.8168.8-169.10000108.8D157 K160 C172D157-C193 HydrophobicContact CB-CB 4.41Å; D157-C193 PolarHBondContact N-O 2.86Å; K160-C193 HydrophobicContact CB-CB 3.67Å; C172-C193 VanDerWaalsContact CA-SG 3.5Å; C172-C193 HydrophobicContact CB-CB 3.73Å; C172-C193 WeakPolarHBondContact CB-SG 3.36Å; C172-C193 WeakPolarHBondContact SG-CA 3.4Å; C172-C193 WeakPolarHBondContact SG-CB 3.39Å; C172-C193 CovalentContact SG-SG 2.05Å; C172-C193 PolarHBondContact SG-SG 2.91Å
194C92.9Very high78.2Confident0 Ų064 Ų640%034%0.339CS..EExtended strand (participates in β ladder)trans-114.2135.9-174.2-68.10000111C151 H178 F179 H181 L192C151-C194 VanDerWaalsContact CA-SG 3.56Å; C151-C194 HydrophobicContact CB-CB 3.63Å; C151-C194 WeakPolarHBondContact CB-SG 3.36Å; C151-C194 WeakPolarHBondContact SG-CA 3.25Å; C151-C194 WeakPolarHBondContact SG-CB 3.39Å; C151-C194 CovalentContact SG-SG 2.02Å; C151-C194 PolarHBondContact SG-SG 2.84Å; H178-C194 CarbonylContact C-O 3.53Å; H178-C194 WeakPolarHBondContact CA-O 3.16Å; H178-C194 VanDerWaalsContact CB-O 3.23Å; H178-C194 WeakPolarHBondContact CB-O 2.97Å; H178-C194 VanDerWaalsContact CD2-C 3.43Å; H178-C194 PolarHBondContact CD2-O 3.23Å; F179-C194 HydrophobicContact CD1-CB 4.01Å; F179-C194 VanDerWaalsContact CD1-O 3.3Å; F179-C194 WeakPolarHBondContact CD1-O 3.23Å; F179-C194 HydrophobicContact CE1-CB 3.53Å; F179-C194 HydrophobicContact CE2-CB 4.22Å; F179-C194 HydrophobicContact CZ-CB 3.66Å; F179-C194 PolarHBondContact N-O 3.48Å; F179-C194 PolarHBondContact O-N 3.11Å; H181-C194 HydrophobicContact CB-CB 4.19Å; H181-C194 WeakPolarHBondContact CB-SG 3.47Å; L192-C194 PolarHBondContact O-N 2.82Å
195A91.7Very high78.5Confident37 Ų3761 Ų6131%0.30632%0.324SS..EExtended strand (participates in β ladder)trans-63.8137.8175.100000110.2H178H178-A195 PolarHBondContact CD2-N 3.31Å
196R87.9Confident79.3Confident106 Ų10662.3 Ų62.340%0.433%0.326SS..  trans-71.5129.4167.1-67.8177.2175.9-105.76.2107.7E174 T177 H178 F179 C198E174-R196 PolarHBondContact O-NH2 3.5Å; T177-R196 WeakPolarHBondContact O-CB 3.4Å; T177-R196 PolarHBondContact O-N 2.83Å; H178-R196 PolarHBondContact O-NE 3.44Å; F179-R196 HydrophobicContact CD1-CG 3.98Å; R196-C198 WeakPolarHBondContact CB-O 2.88Å; R196-C198 PolarHBondContact O-N 2.87Å
197P87.6Confident80.3Confident48 Ų4862 Ų6231%0.31232%0.324SS..SBendtrans-64.6-23.917927.9-36000111.7Y153 F205 C210Y153-P197 HydrophobicContact CD1-CB 3.91Å; Y153-P197 HydrophobicContact CD1-CG 4.08Å; Y153-P197 HydrophobicContact CD2-CB 4.02Å; Y153-P197 VanDerWaalsContact CD2-CD 3.44Å; Y153-P197 HydrophobicContact CD2-CG 3.53Å; Y153-P197 HydrophobicContact CE1-CB 4.39Å; Y153-P197 HydrophobicContact CE1-CG 4.19Å; Y153-P197 HydrophobicContact CE2-CB 4.47Å; Y153-P197 HydrophobicContact CE2-CG 3.63Å; Y153-P197 HydrophobicContact CG-CB 3.7Å; Y153-P197 HydrophobicContact CG-CG 3.75Å; P197-F205 HydrophobicContact CB-CB 3.89Å; P197-F205 HydrophobicContact CB-CD1 4.14Å; P197-F205 HydrophobicContact CB-CD2 3.72Å; P197-F205 HydrophobicContact CB-CE2 4.18Å; P197-F205 HydrophobicContact CB-CG 3.66Å; P197-F205 HydrophobicContact CG-CB 3.53Å; P197-F205 HydrophobicContact CG-CD1 4.37Å; P197-F205 HydrophobicContact CG-CD2 4.35Å; P197-F205 HydrophobicContact CG-CG 3.86Å; P197-C210 PolarHBondContact O-SG 2.92Å; P197-C210 VanDerWaalsContact O-SG 3.41Å
198C86.5Confident81.5Confident9 Ų959.2 Ų59.26%0.06133%0.329CS..SBendtrans-129.3147.2179.5-55.20000111.5R196 T202 F205 C210R196-C198 WeakPolarHBondContact CB-O 2.88Å; R196-C198 PolarHBondContact O-N 2.87Å; C198-T202 WeakPolarHBondContact CB-O 3.31Å; C198-F205 VanDerWaalsContact SG-CB 3.54Å; C198-F205 VanDerWaalsContact SG-CD2 3.59Å; C198-C210 WeakPolarHBondContact CA-SG 3.36Å; C198-C210 HydrophobicContact CB-CB 3.68Å; C198-C210 WeakPolarHBondContact CB-SG 3.5Å; C198-C210 WeakPolarHBondContact SG-CA 3.25Å; C198-C210 WeakPolarHBondContact SG-CB 3.03Å; C198-C210 CovalentContact SG-SG 2.03Å; C198-C210 PolarHBondContact SG-SG 3.19Å
199R80.4Confident82.7Confident196 Ų19665.9 Ų65.974%0.7435%0.354SS*.  trans-93.2149.1173.1-65.7-176.7-178.3172.30.5109.5T202R199-T202 CarbonylContact C-O 3.6Å; R199-T202 CarbonylContact O-C 3.42Å; R199-T202 WeakPolarHBondContact O-CA 2.95Å; R199-T202 PolarHBondContact O-N 3.39Å; R199-T202 PolarHBondContact O-OG1 2.8Å
200E73.3Confident83.5Confident154 Ų15466.2 Ų66.272%0.7235%0.354SS*.THydrogen-bonded Turntrans-54143.5168.6-68.2-170.5173.900111.3
201P69.1Low84.1Confident117 Ų11767.3 Ų67.376%0.7636%0.356SS*.THydrogen-bonded Turncis-84.8-2.44.534.6-35.7000114.2S203P201-S203 PolarHBondContact O-N 2.05Å
202T69.3Low84.2Confident40 Ų4067.2 Ų67.225%0.24536%0.362CS..  trans-79.187.917555.60000109.8C198 R199 Y211C198-T202 WeakPolarHBondContact CB-O 3.31Å; R199-T202 CarbonylContact C-O 3.6Å; R199-T202 CarbonylContact O-C 3.42Å; R199-T202 WeakPolarHBondContact O-CA 2.95Å; R199-T202 PolarHBondContact O-N 3.39Å; R199-T202 PolarHBondContact O-OG1 2.8Å; T202-Y211 WeakPolarHBondContact CA-O 3.18Å
203S72.1Confident84.2Confident72 Ų7269.9 Ų69.950%0.50338%0.376SS..  trans-85.4-12.9-179.457.30000113.2P201P201-S203 PolarHBondContact O-N 2.05Å
204F82.2Confident84.1Confident48 Ų4869.9 Ų69.921%0.21138%0.377CS..EExtended strand (participates in β ladder)trans-107118-170.4-173.8-108.3000112.3H206 Y211 E224F204-H206 HydrophobicContact CD1-CB 4.11Å; F204-H206 HydrophobicContact CE1-CB 3.4Å; F204-H206 HydrophobicContact CZ-CB 3.92Å; F204-Y211 PolarHBondContact N-O 3.35Å; F204-Y211 PolarHBondContact O-N 3.26Å; F204-E224 HydrophobicContact CE1-CB 3.44Å; F204-E224 VanDerWaalsContact CE1-CB 3.44Å; F204-E224 WeakPolarHBondContact CE1-O 3.02Å; F204-E224 HydrophobicContact CZ-CB 3.59Å
205F84.3Confident84Confident63 Ų6372 Ų7228%0.27639%0.386SS..EExtended strand (participates in β ladder)trans-102123175.8-174.2-104.3000110.7Y153 P197 C198 G208Y153-F205 AromaticContact CD1-CD1 3.93Å; Y153-F205 HydrophobicContact CD1-CD1 3.93Å; Y153-F205 AromaticContact CD1-CE1 3.91Å; Y153-F205 HydrophobicContact CD1-CE1 3.91Å; Y153-F205 AromaticContact CE1-CD1 3.4Å; Y153-F205 HydrophobicContact CE1-CD1 3.4Å; Y153-F205 AromaticContact CE1-CE1 3.73Å; Y153-F205 HydrophobicContact CE1-CE1 3.73Å; Y153-F205 HydrophobicContact CE1-CG 4.33Å; P197-F205 HydrophobicContact CB-CB 3.89Å; P197-F205 HydrophobicContact CB-CD1 4.14Å; P197-F205 HydrophobicContact CB-CD2 3.72Å; P197-F205 HydrophobicContact CB-CE2 4.18Å; P197-F205 HydrophobicContact CB-CG 3.66Å; P197-F205 HydrophobicContact CG-CB 3.53Å; P197-F205 HydrophobicContact CG-CD1 4.37Å; P197-F205 HydrophobicContact CG-CD2 4.35Å; P197-F205 HydrophobicContact CG-CG 3.86Å; C198-F205 VanDerWaalsContact SG-CB 3.54Å; C198-F205 VanDerWaalsContact SG-CD2 3.59Å; F205-G208 VanDerWaalsContact CE2-C 3.41Å; F205-G208 VanDerWaalsContact CZ-CA 3.42Å
206H85.6Confident84.1Confident58 Ų5874.5 Ų74.527%0.26939%0.388SS..EExtended strand (participates in β ladder)trans-144.8134.9178.2-177.883.5000111F204 G208 R209 Y211 I222F204-H206 HydrophobicContact CD1-CB 4.11Å; F204-H206 HydrophobicContact CE1-CB 3.4Å; F204-H206 HydrophobicContact CZ-CB 3.92Å; H206-G208 PolarHBondContact O-N 2.84Å; H206-G208 VanDerWaalsContact O-N 3.17Å; H206-R209 PolarHBondContact N-O 2.86Å; H206-R209 PolarHBondContact O-N 2.87Å; H206-R209 VanDerWaalsContact O-O 3.08Å; H206-Y211 HydrophobicContact CB-CD2 4.3Å; H206-Y211 HydrophobicContact CB-CE2 4.32Å; H206-I222 HydrophobicContact CB-CD1 4.31Å
207S84.6Confident84.4Confident104 Ų10470.7 Ų70.773%0.72738%0.382SS*.THydrogen-bonded Turntrans49.342.7177.6-65.30000114R209S207-R209 VanDerWaalsContact C-N 3.3Å; S207-R209 PolarHBondContact O-N 2.02Å
208G84.4Confident84.6Confident62 Ų6271.8 Ų71.864%0.63939%0.386SS*.THydrogen-bonded Turntrans81.7-0.2177.600000115.5F205 H206F205-G208 VanDerWaalsContact CE2-C 3.41Å; F205-G208 VanDerWaalsContact CZ-CA 3.42Å; H206-G208 PolarHBondContact O-N 2.84Å; H206-G208 VanDerWaalsContact O-N 3.17Å
209R88.9Confident85Confident151 Ų15175.1 Ų75.157%0.5741%0.414SS*.EExtended strand (participates in β ladder)trans-127.7149.6-176.3-175.3170.6177.8-176.72.1112.1H206 S207 Y211H206-R209 PolarHBondContact N-O 2.86Å; H206-R209 PolarHBondContact O-N 2.87Å; H206-R209 VanDerWaalsContact O-O 3.08Å; S207-R209 VanDerWaalsContact C-N 3.3Å; S207-R209 PolarHBondContact O-N 2.02Å; R209-Y211 HydrophobicContact CB-CE2 3.78Å; R209-Y211 HydrophobicContact CG-CE1 4.46Å; R209-Y211 HydrophobicContact CG-CE2 4.01Å; R209-Y211 WeakPolarHBondContact O-CD2 3.41Å
210C89.9Confident85.6Confident41 Ų4166.2 Ų66.228%0.27738%0.382SS..EExtended strand (participates in β ladder)trans-89.9133.8174-640000111.5P197 C198P197-C210 PolarHBondContact O-SG 2.92Å; P197-C210 VanDerWaalsContact O-SG 3.41Å; C198-C210 WeakPolarHBondContact CA-SG 3.36Å; C198-C210 HydrophobicContact CB-CB 3.68Å; C198-C210 WeakPolarHBondContact CB-SG 3.5Å; C198-C210 WeakPolarHBondContact SG-CA 3.25Å; C198-C210 WeakPolarHBondContact SG-CB 3.03Å; C198-C210 CovalentContact SG-SG 2.03Å; C198-C210 PolarHBondContact SG-SG 3.19Å
211Y89.2Confident86.5Confident29 Ų2965 Ų6511%0.11438%0.379CS..EExtended strand (participates in β ladder)trans-128.4147.4177.2-62.3-86.7000110T202 F204 H206 R209 L221 I222 Q225T202-Y211 WeakPolarHBondContact CA-O 3.18Å; F204-Y211 PolarHBondContact N-O 3.35Å; F204-Y211 PolarHBondContact O-N 3.26Å; H206-Y211 HydrophobicContact CB-CD2 4.3Å; H206-Y211 HydrophobicContact CB-CE2 4.32Å; R209-Y211 HydrophobicContact CB-CE2 3.78Å; R209-Y211 HydrophobicContact CG-CE1 4.46Å; R209-Y211 HydrophobicContact CG-CE2 4.01Å; R209-Y211 WeakPolarHBondContact O-CD2 3.41Å; Y211-L221 HydrophobicContact CD1-CD1 4.42Å; Y211-L221 HydrophobicContact CE1-CD1 4.28Å; Y211-I222 HydrophobicContact CD1-CD1 4.39Å; Y211-I222 HydrophobicContact CD2-CD1 3.89Å; Y211-I222 HydrophobicContact CE1-CD1 4.25Å; Y211-I222 HydrophobicContact CE2-CD1 3.71Å; Y211-I222 HydrophobicContact CG-CD1 4.23Å; Y211-Q225 HydrophobicContact CD1-CG 4.3Å; Y211-Q225 HydrophobicContact CG-CG 4.09Å
212P88.3Confident87.6Confident61 Ų6161.3 Ų61.340%0.39635%0.353SS..  trans-65.7139166.627.9-32.3000109.3Q225P212-Q225 PolarHBondContact O-NE2 2.89Å
213L88Confident88.7Confident70 Ų7062.7 Ų62.737%0.36636%0.358SS..  trans-62.7135.9164.3-175.770.5000108.1
214A90.5Very high89.6Confident2 Ų262.1 Ų62.12%0.01735%0.348CS..BIsolated β-bridgetrans-123132.9-17900000109.4D218 Q225 C226 E227 C239A214-D218 HydrophobicContact CB-CB 3.86Å; A214-Q225 HydrophobicContact CB-CB 4.12Å; A214-Q225 PolarHBondContact N-O 3.45Å; A214-Q225 VanDerWaalsContact O-O 3.11Å; A214-C226 WeakPolarHBondContact O-CA 3.47Å; A214-E227 PolarHBondContact O-N 3.26Å; A214-C239 WeakPolarHBondContact CB-SG 3.32Å
215H91.2Very high90Very high43 Ų4360 Ų6020%0.19934%0.339CS..  trans-95.3179.2175.8-64.4-66.7000110.8G217 D218 E227 C239 F252H215-G217 PolarHBondContact O-N 2.88Å; H215-D218 WeakPolarHBondContact CB-OD2 3.28Å; H215-D218 IonicContact CD2-OD2 3.99Å; H215-D218 IonicContact CG-OD2 3.09Å; H215-D218 PolarHBondContact N-OD2 3.22Å; H215-D218 WeakPolarHBondContact O-CB 3.38Å; H215-D218 PolarHBondContact O-N 3.17Å; H215-E227 IonicContact CE1-OE1 3.98Å; H215-E227 IonicContact CG-OE1 3.9Å; H215-E227 IonicContact ND1-OE1 3.82Å; H215-E227 PolarHBondContact ND1-OE1 2.62Å; H215-C239 WeakPolarHBondContact O-CB 3.36Å; H215-F252 AromaticContact NE2-CD1 3.82Å
216Y93.5Very high90.4Very high90 Ų9057 Ų5735%0.35333%0.326SS..THydrogen-bonded Turntrans-54.2124.7177.8176.2-99.2000111.9D218 M232 P247 P253 C255Y216-D218 VanDerWaalsContact C-N 3.32Å; Y216-M232 HydrophobicContact CD2-SD 4.3Å; Y216-P247 HydrophobicContact CE1-CB 4.01Å; Y216-P247 HydrophobicContact CE1-CG 4.31Å; Y216-P247 HydrophobicContact CE2-CB 4.19Å; Y216-P247 HydrophobicContact CE2-CG 3.91Å; Y216-P247 WeakPolarHBondContact OH-CG 3.32Å; Y216-P253 WeakPolarHBondContact CB-O 3.04Å; Y216-P253 HydrophobicContact CD1-CB 4.42Å; Y216-P253 PolarHBondContact N-O 2.78Å; Y216-C255 VanDerWaalsContact CD2-SG 3.52Å
217G92.5Very high90.4Very high27 Ų2756.4 Ų56.428%0.27832%0.323SS..THydrogen-bonded Turntrans86.9-13-179.600000115.6H215 C239H215-G217 PolarHBondContact O-N 2.88Å; G217-C239 PolarHBondContact N-O 3.45Å
218D92.9Very high90.2Very high71 Ų7152.7 Ų52.738%0.3830%0.301SS..  trans-69.9157.4178.4-72.2-19.7000111.9A214 H215 Y216 R238 C239A214-D218 HydrophobicContact CB-CB 3.86Å; H215-D218 WeakPolarHBondContact CB-OD2 3.28Å; H215-D218 IonicContact CD2-OD2 3.99Å; H215-D218 IonicContact CG-OD2 3.09Å; H215-D218 PolarHBondContact N-OD2 3.22Å; H215-D218 WeakPolarHBondContact O-CB 3.38Å; H215-D218 PolarHBondContact O-N 3.17Å; Y216-D218 VanDerWaalsContact C-N 3.32Å; D218-R238 CarbonylContact O-C 3.47Å; D218-R238 WeakPolarHBondContact O-CA 3.02Å; D218-C239 PolarHBondContact O-N 2.86Å
219A93.7Very high90Very high79 Ų7951 Ų5165%0.65328%0.284SS*.BIsolated β-bridgetrans-67.6137.6175.800000111.4G237A219-G237 CarbonylContact C-O 3.56Å; A219-G237 VanDerWaalsContact CA-O 3.32Å; A219-G237 WeakPolarHBondContact CA-O 3.08Å
220C93.8Very high89.7Confident9 Ų949.2 Ų49.26%0.06128%0.282CS..  trans-142.1157.3178.958.80000111.4Q225 C234 G237 R238 C239C220-Q225 HydrophobicContact CB-CB 4.36Å; C220-C234 HydrophobicContact CB-CB 3.88Å; C220-C234 WeakPolarHBondContact CB-SG 3.43Å; C220-C234 PolarHBondContact O-SG 3.43Å; C220-C234 WeakPolarHBondContact SG-CA 3.04Å; C220-C234 WeakPolarHBondContact SG-CB 3.46Å; C220-C234 CovalentContact SG-SG 2.03Å; C220-C234 PolarHBondContact SG-SG 3.44Å; C220-G237 PolarHBondContact N-O 3.01Å; C220-G237 WeakPolarHBondContact O-CA 3.32Å; C220-G237 VanDerWaalsContact SG-C 3.5Å; C220-R238 WeakPolarHBondContact SG-CA 3.37Å; C220-R238 PolarHBondContact SG-N 3.18Å; C220-R238 VanDerWaalsContact SG-N 3.4Å; C220-C239 PolarHBondContact SG-N 3.39Å; C220-C239 VanDerWaalsContact SG-N 3.4Å
221L93.2Very high89.7Confident129 Ų12948.4 Ų48.468%0.67527%0.274SS*.SBendtrans-111.9-32.1174.3-58.7176.2000111.1Y211Y211-L221 HydrophobicContact CD1-CD1 4.42Å; Y211-L221 HydrophobicContact CE1-CD1 4.28Å
222I92.4Very high89.9Confident39 Ų3947 Ų4720%0.227%0.268CS..SBendtrans-136.3158-178.863.6174.2000110.3H206 Y211 E224 Q225H206-I222 HydrophobicContact CB-CD1 4.31Å; Y211-I222 HydrophobicContact CD1-CD1 4.39Å; Y211-I222 HydrophobicContact CD2-CD1 3.89Å; Y211-I222 HydrophobicContact CE1-CD1 4.25Å; Y211-I222 HydrophobicContact CE2-CD1 3.71Å; Y211-I222 HydrophobicContact CG-CD1 4.23Å; I222-E224 VanDerWaalsContact C-N 3.27Å; I222-E224 WeakPolarHBondContact CB-OE2 3.39Å; I222-E224 HydrophobicContact CD1-CB 4.2Å; I222-E224 HydrophobicContact CG1-CB 4.48Å; I222-E224 PolarHBondContact O-N 2.74Å; I222-Q225 HydrophobicContact CD1-CG 4.42Å; I222-Q225 HydrophobicContact CG1-CB 4.48Å; I222-Q225 HydrophobicContact CG1-CG 3.74Å; I222-Q225 PolarHBondContact O-N 2.96Å
223N92.2Very high90.2Very high68 Ų6845.1 Ų45.136%0.36426%0.256SS..G310 helixtrans-62.5-36.1-178-69.7-22.5000112.1Q225 C226 G229 C234N223-Q225 PolarHBondContact O-N 2.71Å; N223-C226 VanDerWaalsContact O-CB 3.25Å; N223-C226 WeakPolarHBondContact O-CB 3.03Å; N223-C226 PolarHBondContact O-N 2.04Å; N223-G229 WeakPolarHBondContact O-CA 3.47Å; N223-C234 PolarHBondContact OD1-N 3.46Å
224E90.4Very high90.5Very high61 Ų6143 Ų4329%0.28525%0.247SC..G310 helixtrans-68.5-20.7-173.3-62.375.6-166.600112.8F204 I222 C226 G228F204-E224 HydrophobicContact CE1-CB 3.44Å; F204-E224 VanDerWaalsContact CE1-CB 3.44Å; F204-E224 WeakPolarHBondContact CE1-O 3.02Å; F204-E224 HydrophobicContact CZ-CB 3.59Å; I222-E224 VanDerWaalsContact C-N 3.27Å; I222-E224 WeakPolarHBondContact CB-OE2 3.39Å; I222-E224 HydrophobicContact CD1-CB 4.2Å; I222-E224 HydrophobicContact CG1-CB 4.48Å; I222-E224 PolarHBondContact O-N 2.74Å; E224-C226 PolarHBondContact O-N 3.17Å; E224-G228 WeakPolarHBondContact O-CA 3.13Å; E224-G228 PolarHBondContact O-N 3.32Å; E224-G228 VanDerWaalsContact O-N 3.11Å
225Q90.8Very high90.7Very high3 Ų347.9 Ų47.91%0.01427%0.267CS..G310 helixtrans-63.4-29.5169.9-72.8-178.5-80.400112.2Y211 P212 A214 C220 I222 N223 E227Y211-Q225 HydrophobicContact CD1-CG 4.3Å; Y211-Q225 HydrophobicContact CG-CG 4.09Å; P212-Q225 PolarHBondContact O-NE2 2.89Å; A214-Q225 HydrophobicContact CB-CB 4.12Å; A214-Q225 PolarHBondContact N-O 3.45Å; A214-Q225 VanDerWaalsContact O-O 3.11Å; C220-Q225 HydrophobicContact CB-CB 4.36Å; I222-Q225 HydrophobicContact CD1-CG 4.42Å; I222-Q225 HydrophobicContact CG1-CB 4.48Å; I222-Q225 HydrophobicContact CG1-CG 3.74Å; I222-Q225 PolarHBondContact O-N 2.96Å; N223-Q225 PolarHBondContact O-N 2.71Å; Q225-E227 VanDerWaalsContact C-N 3.34Å; Q225-E227 PolarHBondContact O-N 3.42Å
226C92.2Very high90.8Very high0 Ų055.5 Ų55.50%030%0.303CS..BIsolated β-bridgetrans-81.177.6-176.2-54.60000110.7A214 N223 E224 G228 G229 M232 C239A214-C226 WeakPolarHBondContact O-CA 3.47Å; N223-C226 VanDerWaalsContact O-CB 3.25Å; N223-C226 WeakPolarHBondContact O-CB 3.03Å; N223-C226 PolarHBondContact O-N 2.04Å; E224-C226 PolarHBondContact O-N 3.17Å; C226-G228 PolarHBondContact O-N 3.19Å; C226-G229 PolarHBondContact O-N 3.34Å; C226-M232 HydrophobicContact CB-CB 3.56Å; C226-M232 HydrophobicContact CB-CE 4.26Å; C226-C239 WeakPolarHBondContact CA-SG 2.95Å; C226-C239 HydrophobicContact CB-CB 3.69Å; C226-C239 WeakPolarHBondContact CB-SG 3.43Å; C226-C239 WeakPolarHBondContact SG-CA 3.45Å; C226-C239 WeakPolarHBondContact SG-CB 3.33Å; C226-C239 CovalentContact SG-SG 2.04Å; C226-C239 PolarHBondContact SG-SG 2.94Å
227E86.1Confident90.9Very high45 Ų4553 Ų5321%0.2130%0.304CS..G310 helixtrans50.938.3-177.7-63.2-179.7-172.300113.6A214 H215 Q225 H231 M232 T254A214-E227 PolarHBondContact O-N 3.26Å; H215-E227 IonicContact CE1-OE1 3.98Å; H215-E227 IonicContact CG-OE1 3.9Å; H215-E227 IonicContact ND1-OE1 3.82Å; H215-E227 PolarHBondContact ND1-OE1 2.62Å; Q225-E227 VanDerWaalsContact C-N 3.34Å; Q225-E227 PolarHBondContact O-N 3.42Å; E227-H231 IonicContact OE2-CE1 2.97Å; E227-H231 PolarHBondContact OE2-CE1 2.79Å; E227-H231 IonicContact OE2-NE2 3.8Å; E227-H231 PolarHBondContact OE2-NE2 2.88Å; E227-H231 VanDerWaalsContact OE2-NE2 3.13Å; E227-M232 HydrophobicContact CB-CE 3.64Å; E227-M232 VanDerWaalsContact CD-CE 3.4Å; E227-M232 HydrophobicContact CG-CE 3.41Å; E227-M232 VanDerWaalsContact CG-CE 3.41Å; E227-T254 WeakPolarHBondContact OE2-CB 3.47Å; E227-T254 PolarHBondContact OE2-OG1 2.88Å
228G79.2Confident91.1Very high27 Ų2759.6 Ų59.628%0.27832%0.321SS..G310 helixtrans84.83.1-179.800000114.9E224 C226E224-G228 WeakPolarHBondContact O-CA 3.13Å; E224-G228 PolarHBondContact O-N 3.32Å; E224-G228 VanDerWaalsContact O-N 3.11Å; C226-G228 PolarHBondContact O-N 3.19Å
229G81.4Confident91.2Very high27 Ų2756.4 Ų56.428%0.27830%0.304SS..G310 helixtrans76.720.4177.700000114.2N223 C226 M232N223-G229 WeakPolarHBondContact O-CA 3.47Å; C226-G229 PolarHBondContact O-N 3.34Å; G229-M232 WeakPolarHBondContact CA-O 3.44Å
230H83.1Confident91.3Very high112 Ų11253.3 Ų53.352%0.51928%0.28SS..SBendtrans-84.4-34.3-174.2-73.2-58.8000114.9Q268H230-Q268 PolarHBondContact ND1-NE2 3.2Å; H230-Q268 PolarHBondContact O-NE2 2.03Å
231H89.5Confident91.3Very high24 Ų2453.8 Ų53.811%0.11128%0.283CS..SBendtrans-139.5-0-17754.191.9000111.9E227 E242 F245 T254 C255E227-H231 IonicContact OE2-CE1 2.97Å; E227-H231 PolarHBondContact OE2-CE1 2.79Å; E227-H231 IonicContact OE2-NE2 3.8Å; E227-H231 PolarHBondContact OE2-NE2 2.88Å; E227-H231 VanDerWaalsContact OE2-NE2 3.13Å; H231-E242 PolarHBondContact O-N 3.05Å; H231-F245 HydrophobicContact CB-CD1 3.44Å; H231-F245 VanDerWaalsContact CB-CD1 3.44Å; H231-F245 HydrophobicContact CB-CD2 4.37Å; H231-F245 HydrophobicContact CB-CE1 3.42Å; H231-F245 VanDerWaalsContact CB-CE1 3.42Å; H231-F245 HydrophobicContact CB-CE2 4.35Å; H231-F245 HydrophobicContact CB-CG 3.95Å; H231-F245 HydrophobicContact CB-CZ 3.91Å; H231-T254 PolarHBondContact CE1-OG1 2.04Å; H231-C255 PolarHBondContact ND1-N 3.39Å; H231-C255 PolarHBondContact ND1-O 2.02Å
232M93.2Very high91.2Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-133146.7178.9-72.7-174.6-58.700109.8Y216 C226 E227 G229 C239 G240 C255Y216-M232 HydrophobicContact CD2-SD 4.3Å; C226-M232 HydrophobicContact CB-CB 3.56Å; C226-M232 HydrophobicContact CB-CE 4.26Å; E227-M232 HydrophobicContact CB-CE 3.64Å; E227-M232 VanDerWaalsContact CD-CE 3.4Å; E227-M232 HydrophobicContact CG-CE 3.41Å; E227-M232 VanDerWaalsContact CG-CE 3.41Å; G229-M232 WeakPolarHBondContact CA-O 3.44Å; M232-C239 HydrophobicContact SD-CB 4.37Å; M232-G240 CarbonylContact C-O 3.54Å; M232-G240 WeakPolarHBondContact CA-O 3.45Å; M232-C255 HydrophobicContact CG-CB 3.93Å; M232-C255 WeakPolarHBondContact CG-SG 3.34Å; M232-C255 VanDerWaalsContact SD-SG 3.7Å
233T94.5Very high91Very high22 Ų2255 Ų5514%0.13530%0.297CS..EExtended strand (participates in β ladder)trans-129.1150.6175.847.40000108.9K235 G240T233-K235 PolarHBondContact O-N 2.83Å; T233-K235 VanDerWaalsContact O-N 3.11Å; T233-K235 WeakPolarHBondContact OG1-CE 3.26Å; T233-G240 PolarHBondContact N-O 2.8Å; T233-G240 PolarHBondContact O-N 2.87Å
234C94.7Very high90.7Very high26 Ų2654.6 Ų54.618%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-78.994.7178.2-170.10000109.5C220 N223C220-C234 HydrophobicContact CB-CB 3.88Å; C220-C234 WeakPolarHBondContact CB-SG 3.43Å; C220-C234 PolarHBondContact O-SG 3.43Å; C220-C234 WeakPolarHBondContact SG-CA 3.04Å; C220-C234 WeakPolarHBondContact SG-CB 3.46Å; C220-C234 CovalentContact SG-SG 2.03Å; C220-C234 PolarHBondContact SG-SG 3.44Å; N223-C234 PolarHBondContact OD1-N 3.46Å
235K94Very high90.7Very high103 Ų10353 Ų5345%0.44830%0.301SS..EExtended strand (participates in β ladder)trans-102.5122.7179.2-61.1-176.1-170.5172.70108.9T233 G237 R238 C241T233-K235 PolarHBondContact O-N 2.83Å; T233-K235 VanDerWaalsContact O-N 3.11Å; T233-K235 WeakPolarHBondContact OG1-CE 3.26Å; K235-G237 PolarHBondContact O-N 3.31Å; K235-R238 PolarHBondContact N-O 2.9Å; K235-R238 PolarHBondContact O-N 2.83Å; K235-C241 PolarHBondContact NZ-O 2.89Å
236Q93.9Very high90.6Very high204 Ų20457.3 Ų57.395%0.95332%0.321SS*.THydrogen-bonded Turntrans53.936.8177.7-57.6176.3-15.400113R238Q236-R238 VanDerWaalsContact C-N 3.31Å; Q236-R238 PolarHBondContact O-N 3.36Å
237G95.1Very high90.6Very high36 Ų3660.8 Ų60.837%0.37134%0.343SS..THydrogen-bonded Turntrans76.411.5-179.700000115A219 C220 K235A219-G237 CarbonylContact C-O 3.56Å; A219-G237 VanDerWaalsContact CA-O 3.32Å; A219-G237 WeakPolarHBondContact CA-O 3.08Å; C220-G237 PolarHBondContact N-O 3.01Å; C220-G237 WeakPolarHBondContact O-CA 3.32Å; C220-G237 VanDerWaalsContact SG-C 3.5Å; K235-G237 PolarHBondContact O-N 3.31Å
238R96.3Very high90.7Very high167 Ų16764 Ų6463%0.6335%0.354SS*.EExtended strand (participates in β ladder)trans-131.2145.9173.7-66.5-175.3176.7-139.34.1112.9D218 C220 K235 Q236 G240D218-R238 CarbonylContact O-C 3.47Å; D218-R238 WeakPolarHBondContact O-CA 3.02Å; C220-R238 WeakPolarHBondContact SG-CA 3.37Å; C220-R238 PolarHBondContact SG-N 3.18Å; C220-R238 VanDerWaalsContact SG-N 3.4Å; K235-R238 PolarHBondContact N-O 2.9Å; K235-R238 PolarHBondContact O-N 2.83Å; Q236-R238 VanDerWaalsContact C-N 3.31Å; Q236-R238 PolarHBondContact O-N 3.36Å; R238-G240 PolarHBondContact O-N 2.84Å
239C95.6Very high91Very high3 Ų369.1 Ų69.12%0.0238%0.375CS..EExtended strand (participates in β ladder)trans-69.9121175.9-68.20000110.3A214 H215 G217 D218 C220 C226 M232A214-C239 WeakPolarHBondContact CB-SG 3.32Å; H215-C239 WeakPolarHBondContact O-CB 3.36Å; G217-C239 PolarHBondContact N-O 3.45Å; D218-C239 PolarHBondContact O-N 2.86Å; C220-C239 PolarHBondContact SG-N 3.39Å; C220-C239 VanDerWaalsContact SG-N 3.4Å; C226-C239 WeakPolarHBondContact CA-SG 2.95Å; C226-C239 HydrophobicContact CB-CB 3.69Å; C226-C239 WeakPolarHBondContact CB-SG 3.43Å; C226-C239 WeakPolarHBondContact SG-CA 3.45Å; C226-C239 WeakPolarHBondContact SG-CB 3.33Å; C226-C239 CovalentContact SG-SG 2.04Å; C226-C239 PolarHBondContact SG-SG 2.94Å; M232-C239 HydrophobicContact SD-CB 4.37Å
240G95.2Very high91.1Very high14 Ų1469.4 Ų69.414%0.14438%0.378CS..EExtended strand (participates in β ladder)trans-133156.2178.400000111.6M232 T233 R238M232-G240 CarbonylContact C-O 3.54Å; M232-G240 WeakPolarHBondContact CA-O 3.45Å; T233-G240 PolarHBondContact N-O 2.8Å; T233-G240 PolarHBondContact O-N 2.87Å; R238-G240 PolarHBondContact O-N 2.84Å
241C93.7Very high91.1Very high20 Ų2070.5 Ų70.514%0.13539%0.393CS..EExtended strand (participates in β ladder)trans-62.2140-178.7-52.40000112K235 F245 P247 C255K235-C241 PolarHBondContact NZ-O 2.89Å; C241-F245 HydrophobicContact CB-CB 4.11Å; C241-F245 WeakPolarHBondContact CB-O 3.36Å; C241-P247 VanDerWaalsContact SG-N 3.44Å; C241-C255 WeakPolarHBondContact CA-SG 3.41Å; C241-C255 HydrophobicContact CB-CB 3.67Å; C241-C255 WeakPolarHBondContact CB-SG 3.06Å; C241-C255 PolarHBondContact N-SG 3.23Å; C241-C255 WeakPolarHBondContact SG-CB 2.93Å; C241-C255 CovalentContact SG-SG 2.03Å; C241-C255 PolarHBondContact SG-SG 3.2Å
242E91.7Very high90.8Very high82 Ų8275.6 Ų75.638%0.38342%0.415SS..PPolyproline II helixtrans-73161.8167.7-169162.1-157.500111.1H231 G244 F245H231-E242 PolarHBondContact O-N 3.05Å; E242-G244 PolarHBondContact O-N 3.24Å; E242-F245 HydrophobicContact CB-CD2 4.11Å; E242-F245 WeakPolarHBondContact O-CB 3.29Å; E242-F245 PolarHBondContact O-N 3.3Å
243S88.2Confident90.6Very high111 Ų11178.1 Ų78.178%0.77643%0.432SS*.THydrogen-bonded Turntrans-55.5129.4177.6-61.10000111.3
244G85.8Confident90.4Very high59 Ų5978 Ų7861%0.60843%0.431SS*.THydrogen-bonded Turntrans90.4-4.1-176.600000114.6E242E242-G244 PolarHBondContact O-N 3.24Å
245F89.7Confident90.2Very high28 Ų2876.9 Ų76.912%0.12342%0.424CS..EExtended strand (participates in β ladder)trans-110.5144.8173.5-62.7-98.9000111H231 C241 E242 C255 K256 R257 E265 Q268H231-F245 HydrophobicContact CB-CD1 3.44Å; H231-F245 VanDerWaalsContact CB-CD1 3.44Å; H231-F245 HydrophobicContact CB-CD2 4.37Å; H231-F245 HydrophobicContact CB-CE1 3.42Å; H231-F245 VanDerWaalsContact CB-CE1 3.42Å; H231-F245 HydrophobicContact CB-CE2 4.35Å; H231-F245 HydrophobicContact CB-CG 3.95Å; H231-F245 HydrophobicContact CB-CZ 3.91Å; C241-F245 HydrophobicContact CB-CB 4.11Å; C241-F245 WeakPolarHBondContact CB-O 3.36Å; E242-F245 HydrophobicContact CB-CD2 4.11Å; E242-F245 WeakPolarHBondContact O-CB 3.29Å; E242-F245 PolarHBondContact O-N 3.3Å; F245-C255 HydrophobicContact CB-CB 3.96Å; F245-K256 WeakPolarHBondContact CA-O 3.33Å; F245-R257 HydrophobicContact CD1-CB 3.91Å; F245-R257 VanDerWaalsContact CD1-N 3.34Å; F245-R257 HydrophobicContact CE1-CB 3.74Å; F245-R257 HydrophobicContact CE1-CG 4.35Å; F245-R257 HydrophobicContact CZ-CB 4.37Å; F245-E265 WeakPolarHBondContact CE1-OE1 3.34Å; F245-Q268 HydrophobicContact CZ-CB 4.36Å; F245-Q268 HydrophobicContact CZ-CG 4.4Å
246E90Very high89.9Confident94 Ų9476.4 Ų76.444%0.43942%0.421SS..EExtended strand (participates in β ladder)trans-118.3149.6177.5-69.7178.8-176.900110.2Y248 C255 K256 R258E246-Y248 PolarHBondContact O-N 3.37Å; E246-C255 CarbonylContact O-C 3.59Å; E246-C255 VanDerWaalsContact O-CA 3.32Å; E246-C255 WeakPolarHBondContact O-CA 3.01Å; E246-K256 PolarHBondContact N-O 3.48Å; E246-K256 PolarHBondContact O-N 3.48Å; E246-R258 WeakPolarHBondContact OE1-CD 3.45Å; E246-R258 IonicContact OE1-NH1 3.28Å; E246-R258 PolarHBondContact OE1-NH1 3.34Å; E246-R258 IonicContact OE2-NH1 3.8Å
247P91.4Very high89.6Confident73 Ų7370.9 Ų70.947%0.47439%0.392SS..EExtended strand (participates in β ladder)trans-59.4134.2175.2-21.332.2000111.5Y216 C241Y216-P247 HydrophobicContact CE1-CB 4.01Å; Y216-P247 HydrophobicContact CE1-CG 4.31Å; Y216-P247 HydrophobicContact CE2-CB 4.19Å; Y216-P247 HydrophobicContact CE2-CG 3.91Å; Y216-P247 WeakPolarHBondContact OH-CG 3.32Å; C241-P247 VanDerWaalsContact SG-N 3.44Å
248Y88.7Confident89.1Confident111 Ų11178 Ų7844%0.43541%0.407SS..EExtended strand (participates in β ladder)trans-127.2116.2177.3177.7-95.5000109.9E246 G250 T254 K256E246-Y248 PolarHBondContact O-N 3.37Å; Y248-G250 PolarHBondContact O-N 2.73Å; Y248-G250 VanDerWaalsContact O-N 3.14Å; Y248-T254 HydrophobicContact CD1-CG2 3.97Å; Y248-T254 PolarHBondContact N-O 2.6Å; Y248-T254 PolarHBondContact O-N 2.95Å; Y248-K256 HydrophobicContact CD1-CD 3.84Å; Y248-K256 HydrophobicContact CD1-CG 4.42Å; Y248-K256 HydrophobicContact CD2-CD 4.04Å; Y248-K256 HydrophobicContact CE1-CD 4.33Å; Y248-K256 HydrophobicContact CE2-CD 4.49Å; Y248-K256 HydrophobicContact CG-CD 3.69Å; Y248-K256 HydrophobicContact CG-CG 4.15Å
249N86.4Confident88.6Confident135 Ų13571.3 Ų71.372%0.72239%0.386SS*.EExtended strand (participates in β ladder)trans-83.587.2175.9-77-17.6000110.2
250G83.2Confident88Confident33 Ų3375.4 Ų75.434%0.3441%0.413SS..SBendtrans-95.3-160.6166.600000112.2Y248 F252Y248-G250 PolarHBondContact O-N 2.73Å; Y248-G250 VanDerWaalsContact O-N 3.14Å; G250-F252 PolarHBondContact O-N 3.36Å
251T82.9Confident87.3Confident136 Ų13683 Ų8383%0.83445%0.446SS*.SBendtrans-54.3-36.2169.6-46.40000111.7
252F82.5Confident86.7Confident130 Ų13088 Ų8857%0.5747%0.472SS*.SBendtrans-119.8126.9167.1-58.3-77.7000107.9H215 G250 T254H215-F252 AromaticContact NE2-CD1 3.82Å; G250-F252 PolarHBondContact O-N 3.36Å; F252-T254 PolarHBondContact O-N 3.42Å
253P89.2Confident86.4Confident53 Ų5385 Ų8534%0.34446%0.461SS..EExtended strand (participates in β ladder)trans-58.4123173.4-24.334.6000110.7Y216Y216-P253 WeakPolarHBondContact CB-O 3.04Å; Y216-P253 HydrophobicContact CD1-CB 4.42Å; Y216-P253 PolarHBondContact N-O 2.78Å
254T90.2Very high86.2Confident20 Ų2081.3 Ų81.312%0.12343%0.432CS..EExtended strand (participates in β ladder)trans-141.4-178.6-174.6-1780000109.8E227 H231 Y248 F252E227-T254 WeakPolarHBondContact OE2-CB 3.47Å; E227-T254 PolarHBondContact OE2-OG1 2.88Å; H231-T254 PolarHBondContact CE1-OG1 2.04Å; Y248-T254 HydrophobicContact CD1-CG2 3.97Å; Y248-T254 PolarHBondContact N-O 2.6Å; Y248-T254 PolarHBondContact O-N 2.95Å; F252-T254 PolarHBondContact O-N 3.42Å
255C90.9Very high86Confident3 Ų381.5 Ų81.52%0.0242%0.417CS..EExtended strand (participates in β ladder)trans-114.9137171.1-56.90000110.1Y216 H231 M232 C241 F245 E246Y216-C255 VanDerWaalsContact CD2-SG 3.52Å; H231-C255 PolarHBondContact ND1-N 3.39Å; H231-C255 PolarHBondContact ND1-O 2.02Å; M232-C255 HydrophobicContact CG-CB 3.93Å; M232-C255 WeakPolarHBondContact CG-SG 3.34Å; M232-C255 VanDerWaalsContact SD-SG 3.7Å; C241-C255 WeakPolarHBondContact CA-SG 3.41Å; C241-C255 HydrophobicContact CB-CB 3.67Å; C241-C255 WeakPolarHBondContact CB-SG 3.06Å; C241-C255 PolarHBondContact N-SG 3.23Å; C241-C255 WeakPolarHBondContact SG-CB 2.93Å; C241-C255 CovalentContact SG-SG 2.03Å; C241-C255 PolarHBondContact SG-SG 3.2Å; F245-C255 HydrophobicContact CB-CB 3.96Å; E246-C255 CarbonylContact O-C 3.59Å; E246-C255 VanDerWaalsContact O-CA 3.32Å; E246-C255 WeakPolarHBondContact O-CA 3.01Å
256K87.8Confident85.5Confident92 Ų9281.3 Ų81.340%0.442%0.417SS..EExtended strand (participates in β ladder)trans-124.9150.4177.7-71.5-172.3177.7176.10110.9F245 E246 Y248F245-K256 WeakPolarHBondContact CA-O 3.33Å; E246-K256 PolarHBondContact N-O 3.48Å; E246-K256 PolarHBondContact O-N 3.48Å; Y248-K256 HydrophobicContact CD1-CD 3.84Å; Y248-K256 HydrophobicContact CD1-CG 4.42Å; Y248-K256 HydrophobicContact CD2-CD 4.04Å; Y248-K256 HydrophobicContact CE1-CD 4.33Å; Y248-K256 HydrophobicContact CE2-CD 4.49Å; Y248-K256 HydrophobicContact CG-CD 3.69Å; Y248-K256 HydrophobicContact CG-CG 4.15Å
257R88.2Confident84.9Confident89 Ų8981 Ų8134%0.33643%0.431SS..EExtended strand (participates in β ladder)trans-76.2133175.4-158.4170.495.3132.37.1109.5F245 C259 E265 Q268 C270F245-R257 HydrophobicContact CD1-CB 3.91Å; F245-R257 VanDerWaalsContact CD1-N 3.34Å; F245-R257 HydrophobicContact CE1-CB 3.74Å; F245-R257 HydrophobicContact CE1-CG 4.35Å; F245-R257 HydrophobicContact CZ-CB 4.37Å; R257-C259 PolarHBondContact O-N 2.05Å; R257-C259 VanDerWaalsContact O-N 3.12Å; R257-E265 VanDerWaalsContact CB-CD 3.45Å; R257-E265 HydrophobicContact CB-CG 3.98Å; R257-E265 WeakPolarHBondContact CB-OE2 3.49Å; R257-E265 PolarHBondContact N-OE2 2.88Å; R257-Q268 VanDerWaalsContact CD-O 3.28Å; R257-Q268 WeakPolarHBondContact CD-O 3.37Å; R257-Q268 PolarHBondContact NE-O 3.48Å; R257-Q268 PolarHBondContact NH1-O 3.48Å; R257-C270 VanDerWaalsContact CZ-SG 3.53Å; R257-C270 PolarHBondContact NE-SG 3.05Å; R257-C270 PolarHBondContact NH2-SG 3.07Å
258R82.9Confident84.1Confident184 Ų18481.6 Ų81.669%0.69443%0.427SS*.  trans-76.7104.6174.4-163.8170-174.3175.60.1109.9E246E246-R258 WeakPolarHBondContact OE1-CD 3.45Å; E246-R258 IonicContact OE1-NH1 3.28Å; E246-R258 PolarHBondContact OE1-NH1 3.34Å; E246-R258 IonicContact OE2-NH1 3.8Å
259C85.8Confident83.9Confident27 Ų2781.6 Ų81.618%0.18243%0.431CS..PPolyproline II helixtrans-86.3148171.7-660000111.5R257 A263 E265 C270R257-C259 PolarHBondContact O-N 2.05Å; R257-C259 VanDerWaalsContact O-N 3.12Å; C259-A263 HydrophobicContact CB-CB 3.97Å; C259-E265 PolarHBondContact SG-N 2.83Å; C259-E265 VanDerWaalsContact SG-N 3.41Å; C259-C270 WeakPolarHBondContact CA-SG 3.45Å; C259-C270 HydrophobicContact CB-CB 3.83Å; C259-C270 WeakPolarHBondContact CB-SG 3.34Å; C259-C270 VanDerWaalsContact SG-CA 3.58Å; C259-C270 WeakPolarHBondContact SG-CB 3.28Å; C259-C270 CovalentContact SG-SG 2.03Å; C259-C270 PolarHBondContact SG-SG 3.05Å
260P85Confident83.9Confident89 Ų8976.9 Ų76.958%0.57841%0.408SS*.PPolyproline II helixtrans-60.1160.5172.124-31.4000110.9N262 A263P260-N262 PolarHBondContact O-N 3.01Å; P260-A263 HydrophobicContact CG-CB 3.9Å; P260-A263 WeakPolarHBondContact O-CB 3.28Å; P260-A263 PolarHBondContact O-N 3.31Å
261M78.9Confident84.1Confident174 Ų17478.1 Ų78.186%0.85740%0.403SS*.THydrogen-bonded Turntrans-51.6136.2175.7-67-64.5-73.500110.6A263M261-A263 PolarHBondContact O-N 3.24Å
262N81.8Confident84.5Confident125 Ų12581.3 Ų81.367%0.66840%0.4SS*.THydrogen-bonded Turntrans67.910.8-173.3-50.3-47.3000116.1P260 R273P260-N262 PolarHBondContact O-N 3.01Å; N262-R273 WeakPolarHBondContact O-CB 3.46Å; N262-R273 PolarHBondContact O-N 3.46Å
263A86Confident84.8Confident18 Ų1883.2 Ų83.215%0.14940%0.403CS..EExtended strand (participates in β ladder)trans-113.4159.9165.800000110.6C259 P260 M261 C270 Y271C259-A263 HydrophobicContact CB-CB 3.97Å; P260-A263 HydrophobicContact CG-CB 3.9Å; P260-A263 WeakPolarHBondContact O-CB 3.28Å; P260-A263 PolarHBondContact O-N 3.31Å; M261-A263 PolarHBondContact O-N 3.24Å; A263-C270 HydrophobicContact CB-CB 4.29Å; A263-Y271 CarbonylContact C-O 3.5Å; A263-Y271 WeakPolarHBondContact CA-O 3.48Å; A263-Y271 WeakPolarHBondContact CB-O 3.42Å
264M82.4Confident84.9Confident34 Ų3481.5 Ų81.517%0.16739%0.392CS..EExtended strand (participates in β ladder)trans-139.1155.6177.365-178.5-179.200109.5I266 C270 Y271 Q284 Q285M264-I266 HydrophobicContact CE-CD1 3.37Å; M264-I266 HydrophobicContact CE-CG1 3.94Å; M264-I266 HydrophobicContact CG-CG1 4.45Å; M264-C270 CarbonylContact O-C 3.53Å; M264-C270 WeakPolarHBondContact O-CA 3.23Å; M264-Y271 PolarHBondContact N-O 3.02Å; M264-Y271 PolarHBondContact O-N 3.04Å; M264-Q284 HydrophobicContact CE-CB 3.65Å; M264-Q284 WeakPolarHBondContact CE-O 3.2Å; M264-Q284 HydrophobicContact SD-CB 4.11Å; M264-Q285 VanDerWaalsContact CE-CA 3.44Å; M264-Q285 HydrophobicContact CE-CB 4.05Å; M264-Q285 HydrophobicContact CE-CG 3.49Å; M264-Q285 VanDerWaalsContact CE-CG 3.49Å; M264-Q285 VanDerWaalsContact CE-N 3.27Å
265E82.6Confident85Confident63 Ų6387.7 Ų87.729%0.29442%0.417SS..EExtended strand (participates in β ladder)trans-82.1128.2178.9-169.6-171.8173.500110.8F245 R257 C259 Q268 Q269F245-E265 WeakPolarHBondContact CE1-OE1 3.34Å; R257-E265 VanDerWaalsContact CB-CD 3.45Å; R257-E265 HydrophobicContact CB-CG 3.98Å; R257-E265 WeakPolarHBondContact CB-OE2 3.49Å; R257-E265 PolarHBondContact N-OE2 2.88Å; C259-E265 PolarHBondContact SG-N 2.83Å; C259-E265 VanDerWaalsContact SG-N 3.41Å; E265-Q268 WeakPolarHBondContact OE1-CA 3.44Å; E265-Q269 CarbonylContact C-O 3.41Å; E265-Q269 VanDerWaalsContact CA-O 3.29Å; E265-Q269 WeakPolarHBondContact CA-O 3.22Å
266I79.9Confident85Confident24 Ų2489.1 Ų89.112%0.12342%0.424CS..EExtended strand (participates in β ladder)trans-133.4125.5167.7-52.8163.1000106.4M264 Q268 Q269 Y271 I282 Q285M264-I266 HydrophobicContact CE-CD1 3.37Å; M264-I266 HydrophobicContact CE-CG1 3.94Å; M264-I266 HydrophobicContact CG-CG1 4.45Å; I266-Q268 VanDerWaalsContact C-N 3.31Å; I266-Q268 PolarHBondContact O-N 2.91Å; I266-Q269 PolarHBondContact N-O 3.34Å; I266-Q269 PolarHBondContact O-N 2.75Å; I266-Q269 VanDerWaalsContact O-O 3.1Å; I266-Y271 HydrophobicContact CB-CD2 3.59Å; I266-Y271 HydrophobicContact CB-CE2 3.79Å; I266-Y271 HydrophobicContact CD1-CD2 3.64Å; I266-Y271 HydrophobicContact CD1-CE2 4.39Å; I266-Y271 HydrophobicContact CD1-CG 3.81Å; I266-Y271 HydrophobicContact CG1-CD2 3.91Å; I266-Y271 WeakPolarHBondContact O-CE2 3.43Å; I266-I282 HydrophobicContact CD1-CG2 3.17Å; I266-I282 HydrophobicContact CG1-CG2 4.34Å; I266-I282 HydrophobicContact CG2-CD1 4.23Å; I266-I282 HydrophobicContact CG2-CG2 4.46Å; I266-Q285 HydrophobicContact CD1-CG 4.09Å
267A75.5Confident85Confident89 Ų8990.9 Ų90.974%0.73644%0.438SS*.THydrogen-bonded Turntrans46.650.9178.700000113.2Q269A267-Q269 PolarHBondContact O-N 3.48Å; A267-Q269 VanDerWaalsContact O-N 3.13Å
268Q76Confident85.2Confident85 Ų8591.1 Ų91.140%0.39744%0.443SS..THydrogen-bonded Turntrans66.56.1179.5-49.5172.416.700115.9H230 F245 R257 E265 I266H230-Q268 PolarHBondContact ND1-NE2 3.2Å; H230-Q268 PolarHBondContact O-NE2 2.03Å; F245-Q268 HydrophobicContact CZ-CB 4.36Å; F245-Q268 HydrophobicContact CZ-CG 4.4Å; R257-Q268 VanDerWaalsContact CD-O 3.28Å; R257-Q268 WeakPolarHBondContact CD-O 3.37Å; R257-Q268 PolarHBondContact NE-O 3.48Å; R257-Q268 PolarHBondContact NH1-O 3.48Å; E265-Q268 WeakPolarHBondContact OE1-CA 3.44Å; I266-Q268 VanDerWaalsContact C-N 3.31Å; I266-Q268 PolarHBondContact O-N 2.91Å
269Q83.2Confident85.7Confident110 Ų11086 Ų8651%0.51444%0.44SS..EExtended strand (participates in β ladder)trans-118.2150.8177.2-67.4-177-0.900111.3E265 I266 A267 Y271E265-Q269 CarbonylContact C-O 3.41Å; E265-Q269 VanDerWaalsContact CA-O 3.29Å; E265-Q269 WeakPolarHBondContact CA-O 3.22Å; I266-Q269 PolarHBondContact N-O 3.34Å; I266-Q269 PolarHBondContact O-N 2.75Å; I266-Q269 VanDerWaalsContact O-O 3.1Å; A267-Q269 PolarHBondContact O-N 3.48Å; A267-Q269 VanDerWaalsContact O-N 3.13Å; Q269-Y271 HydrophobicContact CB-CD2 4.32Å; Q269-Y271 HydrophobicContact CB-CE2 3.62Å; Q269-Y271 WeakPolarHBondContact O-CD2 3.23Å; Q269-Y271 PolarHBondContact OE1-OH 2.97Å
270C87.1Confident86Confident36 Ų3685 Ų8524%0.24343%0.434CS..EExtended strand (participates in β ladder)trans-96.5116.7-179.3-69.30000108.8R257 C259 A263 M264R257-C270 VanDerWaalsContact CZ-SG 3.53Å; R257-C270 PolarHBondContact NE-SG 3.05Å; R257-C270 PolarHBondContact NH2-SG 3.07Å; C259-C270 WeakPolarHBondContact CA-SG 3.45Å; C259-C270 HydrophobicContact CB-CB 3.83Å; C259-C270 WeakPolarHBondContact CB-SG 3.34Å; C259-C270 VanDerWaalsContact SG-CA 3.58Å; C259-C270 WeakPolarHBondContact SG-CB 3.28Å; C259-C270 CovalentContact SG-SG 2.03Å; C259-C270 PolarHBondContact SG-SG 3.05Å; A263-C270 HydrophobicContact CB-CB 4.29Å; M264-C270 CarbonylContact O-C 3.53Å; M264-C270 WeakPolarHBondContact O-CA 3.23Å
271Y88.3Confident86.2Confident59 Ų5988.8 Ų88.823%0.23144%0.441CS..EExtended strand (participates in β ladder)trans-106.1137.8176-68.6-93000109.3A263 M264 I266 Q269 F281A263-Y271 CarbonylContact C-O 3.5Å; A263-Y271 WeakPolarHBondContact CA-O 3.48Å; A263-Y271 WeakPolarHBondContact CB-O 3.42Å; M264-Y271 PolarHBondContact N-O 3.02Å; M264-Y271 PolarHBondContact O-N 3.04Å; I266-Y271 HydrophobicContact CB-CD2 3.59Å; I266-Y271 HydrophobicContact CB-CE2 3.79Å; I266-Y271 HydrophobicContact CD1-CD2 3.64Å; I266-Y271 HydrophobicContact CD1-CE2 4.39Å; I266-Y271 HydrophobicContact CD1-CG 3.81Å; I266-Y271 HydrophobicContact CG1-CD2 3.91Å; I266-Y271 WeakPolarHBondContact O-CE2 3.43Å; Q269-Y271 HydrophobicContact CB-CD2 4.32Å; Q269-Y271 HydrophobicContact CB-CE2 3.62Å; Q269-Y271 WeakPolarHBondContact O-CD2 3.23Å; Q269-Y271 PolarHBondContact OE1-OH 2.97Å; Y271-F281 AromaticContact CD1-CD2 3.95Å; Y271-F281 HydrophobicContact CD1-CD2 3.95Å; Y271-F281 HydrophobicContact CE1-CD2 4Å; Y271-F281 HydrophobicContact CE1-CG 4.47Å
272R90.2Very high86.7Confident204 Ų20483.4 Ų83.477%0.7742%0.415SS*.EExtended strand (participates in β ladder)trans-69138.8173.1-67.4-177.4179.4174.10.3109.2Q285R272-Q285 PolarHBondContact O-NE2 2.96Å
273R90Very high87Confident169 Ų16981.5 Ų81.564%0.63841%0.405SS*.  trans-62.7141160.5-67.9-175.8170.3-163.8-3.4108.5N262 Q285N262-R273 WeakPolarHBondContact O-CB 3.46Å; N262-R273 PolarHBondContact O-N 3.46Å; R273-Q285 WeakPolarHBondContact CA-O 3.27Å
274T91.2Very high87.2Confident17 Ų1786.2 Ų86.210%0.10442%0.424CS..  trans-119.4167-175.886.90000108.6A279 Q285 C297T274-A279 WeakPolarHBondContact CG2-O 2.86Å; T274-Q285 HydrophobicContact CG2-CB 3.99Å; T274-Q285 PolarHBondContact N-O 3.13Å; T274-C297 PolarHBondContact OG1-SG 2.93Å
275K91.2Very high87.6Confident150 Ų15085 Ų8565%0.65242%0.418SS*.  trans-99.8172.9173.6-61.6176.4-178.31760109.9Q278 C297K275-Q278 HydrophobicContact CB-CG 4.11Å; K275-Q278 VanDerWaalsContact O-CB 3.31Å; K275-Q278 WeakPolarHBondContact O-CB 3.48Å; K275-Q278 PolarHBondContact O-N 3.09Å; K275-Q278 VanDerWaalsContact O-N 3.16Å; K275-C297 WeakPolarHBondContact O-CB 3.19Å
276L90.5Very high88.1Confident34 Ų3482.7 Ų82.718%0.17841%0.409CS..THydrogen-bonded Turntrans-53.9146.5168.5-62.7174.3000110.8Q278 P287 A290 C297 C310L276-Q278 PolarHBondContact O-N 3.2Å; L276-Q278 VanDerWaalsContact O-N 3.13Å; L276-P287 HydrophobicContact CD2-CG 3.83Å; L276-P287 HydrophobicContact CG-CG 4.02Å; L276-A290 HydrophobicContact CD2-CB 3.74Å; L276-C297 WeakPolarHBondContact CA-O 3.06Å; L276-C310 WeakPolarHBondContact CD2-SG 3.34Å
277D89.1Confident88.6Confident129 Ų12983.5 Ų83.569%0.6942%0.415SS*.THydrogen-bonded Turntrans5912.9-174.1-73.8-21000115.3C297D277-C297 PolarHBondContact N-O 3.19Å
278Q92.3Very high89.3Confident93 Ų9389.5 Ų89.544%0.43542%0.419SS..SBendtrans-101.8151.5174.7-62.1-165.7-31.100112.4K275 L276 C280 A296 C297K275-Q278 HydrophobicContact CB-CG 4.11Å; K275-Q278 VanDerWaalsContact O-CB 3.31Å; K275-Q278 WeakPolarHBondContact O-CB 3.48Å; K275-Q278 PolarHBondContact O-N 3.09Å; K275-Q278 VanDerWaalsContact O-N 3.16Å; L276-Q278 PolarHBondContact O-N 3.2Å; L276-Q278 VanDerWaalsContact O-N 3.13Å; Q278-C280 PolarHBondContact O-N 3.26Å; Q278-A296 WeakPolarHBondContact O-CA 3.06Å; Q278-C297 PolarHBondContact O-N 2.69Å; Q278-C297 VanDerWaalsContact O-N 3.07Å
279A92.1Very high90Very high77 Ų7788 Ų8864%0.63641%0.414SS*.BIsolated β-bridgetrans-54.9131.217800000111.9T274 G295T274-A279 WeakPolarHBondContact CG2-O 2.86Å; A279-G295 CarbonylContact C-O 3.52Å; A279-G295 WeakPolarHBondContact CA-O 3.02Å
280C92.2Very high90.4Very high7 Ų783.3 Ų83.35%0.04739%0.394CS..  trans-139.8161.217960.10000110.7Q278 Q285 C292 G295 A296 C297Q278-C280 PolarHBondContact O-N 3.26Å; C280-Q285 HydrophobicContact CB-CB 4.46Å; C280-C292 HydrophobicContact CB-CB 3.89Å; C280-C292 WeakPolarHBondContact CB-SG 3.5Å; C280-C292 PolarHBondContact O-SG 2.73Å; C280-C292 WeakPolarHBondContact SG-CA 3.3Å; C280-C292 WeakPolarHBondContact SG-CB 3.15Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.27Å; C280-G295 PolarHBondContact N-O 3.28Å; C280-A296 VanDerWaalsContact SG-CA 3.57Å; C280-A296 PolarHBondContact SG-N 3.44Å; C280-A296 PolarHBondContact SG-O 3.45Å; C280-C297 VanDerWaalsContact CB-SG 3.52Å; C280-C297 PolarHBondContact SG-N 2.95Å
281F90.3Very high90.7Very high168 Ų16886.6 Ų86.674%0.73740%0.401SS*.SBendtrans-116.6-27.2175.3-55.5-79.3000112.1Y271Y271-F281 AromaticContact CD1-CD2 3.95Å; Y271-F281 HydrophobicContact CD1-CD2 3.95Å; Y271-F281 HydrophobicContact CE1-CD2 4Å; Y271-F281 HydrophobicContact CE1-CG 4.47Å
282I88.1Confident90.9Very high60 Ų6085 Ų8531%0.30840%0.398SS..SBendtrans-147.7152.1178.7-170.5171.3000110.8I266 Q284 Q285I266-I282 HydrophobicContact CD1-CG2 3.17Å; I266-I282 HydrophobicContact CG1-CG2 4.34Å; I266-I282 HydrophobicContact CG2-CD1 4.23Å; I266-I282 HydrophobicContact CG2-CG2 4.46Å; I282-Q284 HydrophobicContact CG2-CB 4.34Å; I282-Q284 PolarHBondContact O-N 2.83Å; I282-Q284 VanDerWaalsContact O-N 3.1Å; I282-Q285 HydrophobicContact CG2-CG 4.07Å; I282-Q285 WeakPolarHBondContact O-CB 3.34Å; I282-Q285 PolarHBondContact O-N 3.36Å
283D89.8Confident91Very high85 Ų8582.2 Ų82.246%0.45539%0.388SS..G310 helixtrans-51.2-36.4-178.4-60.7-18.4000113.9Q285 C286 R291 C292D283-Q285 PolarHBondContact O-N 2.91Å; D283-Q285 VanDerWaalsContact O-N 3.08Å; D283-C286 VanDerWaalsContact O-CB 3.28Å; D283-C286 WeakPolarHBondContact O-CB 3.07Å; D283-C286 PolarHBondContact O-N 3.02Å; D283-R291 HydrophobicContact CB-CB 4.5Å; D283-C292 PolarHBondContact OD1-N 2.82Å
284Q89.8Confident91Very high118 Ų11883.3 Ų83.355%0.55140%0.4SS*.G310 helixtrans-60.7-23.2-178.3-64.5170.3-500112.9M264 I282 C286M264-Q284 HydrophobicContact CE-CB 3.65Å; M264-Q284 WeakPolarHBondContact CE-O 3.2Å; M264-Q284 HydrophobicContact SD-CB 4.11Å; I282-Q284 HydrophobicContact CG2-CB 4.34Å; I282-Q284 PolarHBondContact O-N 2.83Å; I282-Q284 VanDerWaalsContact O-N 3.1Å; Q284-C286 VanDerWaalsContact C-N 3.29Å
285Q90.8Very high91Very high7 Ų784.2 Ų84.23%0.03341%0.413CS..G310 helixtrans-73.8-24.7176.8-69.7-179.2-9700112.7M264 I266 R272 R273 T274 C280 I282 D283M264-Q285 VanDerWaalsContact CE-CA 3.44Å; M264-Q285 HydrophobicContact CE-CB 4.05Å; M264-Q285 HydrophobicContact CE-CG 3.49Å; M264-Q285 VanDerWaalsContact CE-CG 3.49Å; M264-Q285 VanDerWaalsContact CE-N 3.27Å; I266-Q285 HydrophobicContact CD1-CG 4.09Å; R272-Q285 PolarHBondContact O-NE2 2.96Å; R273-Q285 WeakPolarHBondContact CA-O 3.27Å; T274-Q285 HydrophobicContact CG2-CB 3.99Å; T274-Q285 PolarHBondContact N-O 3.13Å; C280-Q285 HydrophobicContact CB-CB 4.46Å; I282-Q285 HydrophobicContact CG2-CG 4.07Å; I282-Q285 WeakPolarHBondContact O-CB 3.34Å; I282-Q285 PolarHBondContact O-N 3.36Å; D283-Q285 PolarHBondContact O-N 2.91Å; D283-Q285 VanDerWaalsContact O-N 3.08Å
286C92Very high91.1Very high15 Ų1578.3 Ų78.310%0.10139%0.392CS..SBendtrans-75.6155.9-177.4-590000111.4D283 Q284 A290 R291 C297D283-C286 VanDerWaalsContact O-CB 3.28Å; D283-C286 WeakPolarHBondContact O-CB 3.07Å; D283-C286 PolarHBondContact O-N 3.02Å; Q284-C286 VanDerWaalsContact C-N 3.29Å; C286-A290 HydrophobicContact CB-CB 3.87Å; C286-R291 VanDerWaalsContact SG-C 3.51Å; C286-C297 WeakPolarHBondContact CA-SG 3.41Å; C286-C297 HydrophobicContact CB-CB 3.72Å; C286-C297 WeakPolarHBondContact CB-SG 3.48Å; C286-C297 VanDerWaalsContact SG-CA 3.51Å; C286-C297 WeakPolarHBondContact SG-CB 3.43Å; C286-C297 CovalentContact SG-SG 2.03Å; C286-C297 PolarHBondContact SG-SG 2.05Å
287P90.7Very high91.3Very high41 Ų4176.7 Ų76.727%0.26638%0.384SS..PPolyproline II helixtrans-63.8170.6172.428.1-34.3000111.1L276 N289 A290L276-P287 HydrophobicContact CD2-CG 3.83Å; L276-P287 HydrophobicContact CG-CG 4.02Å; P287-N289 PolarHBondContact O-N 3.23Å; P287-A290 HydrophobicContact CG-CB 3.99Å; P287-A290 WeakPolarHBondContact O-CB 2.98Å; P287-A290 PolarHBondContact O-N 2.77Å; P287-A290 VanDerWaalsContact O-N 3.15Å
288R89.6Confident91.5Very high215 Ų21573.8 Ų73.881%0.81137%0.366SS*.THydrogen-bonded Turntrans-55.6138.5179.4-163177.8-179.7-179.7-0.1111.1A290R288-A290 PolarHBondContact O-N 3.18Å
289N91.5Very high91.5Very high55 Ų5570.5 Ų70.529%0.29435%0.353SS..THydrogen-bonded Turntrans63.322.9-178.1-42.2-41.8000114.5P287 D300 F303 C310P287-N289 PolarHBondContact O-N 3.23Å; N289-D300 PolarHBondContact O-N 2.86Å; N289-F303 HydrophobicContact CB-CD1 3.53Å; N289-F303 HydrophobicContact CB-CD2 3.84Å; N289-F303 HydrophobicContact CB-CE1 3.56Å; N289-F303 HydrophobicContact CB-CE2 3.84Å; N289-F303 HydrophobicContact CB-CG 3.69Å; N289-F303 HydrophobicContact CB-CZ 3.71Å; N289-F303 VanDerWaalsContact CG-CZ 3.42Å; N289-F303 WeakPolarHBondContact ND2-CE1 3.35Å; N289-C310 HydrophobicContact CB-CB 3.94Å; N289-C310 PolarHBondContact ND2-O 2.95Å; N289-C310 WeakPolarHBondContact O-CB 3.05Å
290A92.4Very high91.4Very high10 Ų1068.6 Ų68.68%0.08333%0.332CS..EExtended strand (participates in β ladder)trans-123.6151.417200000109.9L276 C286 P287 R288 E298L276-A290 HydrophobicContact CD2-CB 3.74Å; C286-A290 HydrophobicContact CB-CB 3.87Å; P287-A290 HydrophobicContact CG-CB 3.99Å; P287-A290 WeakPolarHBondContact O-CB 2.98Å; P287-A290 PolarHBondContact O-N 2.77Å; P287-A290 VanDerWaalsContact O-N 3.15Å; R288-A290 PolarHBondContact O-N 3.18Å; A290-E298 CarbonylContact C-O 3.55Å; A290-E298 WeakPolarHBondContact CA-O 3.49Å; A290-E298 VanDerWaalsContact CB-O 3.26Å; A290-E298 WeakPolarHBondContact CB-O 3.32Å
291R92.9Very high90.9Very high106 Ų10673.9 Ų73.940%0.437%0.368SS..EExtended strand (participates in β ladder)trans-127158.3176.571.5177.172.1-171.6-1.1110.3D283 C286 R293 C297 E298 D300D283-R291 HydrophobicContact CB-CB 4.5Å; C286-R291 VanDerWaalsContact SG-C 3.51Å; R291-R293 PolarHBondContact O-N 3.45Å; R291-C297 WeakPolarHBondContact O-CA 3.01Å; R291-E298 PolarHBondContact N-O 2.93Å; R291-E298 PolarHBondContact O-N 3.19Å; R291-D300 IonicContact CZ-OD1 2.58Å; R291-D300 IonicContact NE-OD1 2.84Å; R291-D300 PolarHBondContact NE-OD1 3.17Å; R291-D300 IonicContact NH2-OD1 2.71Å; R291-D300 PolarHBondContact NH2-OD1 2.03Å
292C92.5Very high90.5Very high26 Ų2668.6 Ų68.618%0.17636%0.355CS..EExtended strand (participates in β ladder)trans-82.8106.4176.1-169.80000109.2C280 D283C280-C292 HydrophobicContact CB-CB 3.89Å; C280-C292 WeakPolarHBondContact CB-SG 3.5Å; C280-C292 PolarHBondContact O-SG 2.73Å; C280-C292 WeakPolarHBondContact SG-CA 3.3Å; C280-C292 WeakPolarHBondContact SG-CB 3.15Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.27Å; D283-C292 PolarHBondContact OD1-N 2.82Å
293R91.6Very high90.5Very high145 Ų14567.9 Ų67.955%0.54735%0.35SS..EExtended strand (participates in β ladder)trans-117.4127.2-180-161.2-177.6-154.2172.61.7109.6R291 G295 A296 E298R291-R293 PolarHBondContact O-N 3.45Å; R293-G295 PolarHBondContact O-N 2.98Å; R293-A296 PolarHBondContact N-O 3.19Å; R293-A296 PolarHBondContact O-N 2.88Å; R293-E298 HydrophobicContact CB-CB 4.37Å; R293-E298 HydrophobicContact CB-CG 4.27Å; R293-E298 WeakPolarHBondContact CD-OE2 3.42Å; R293-E298 IonicContact NH1-OE2 2.72Å
294E89.8Confident90.3Very high191 Ų19170.2 Ų70.289%0.89336%0.356SS*.THydrogen-bonded Turntrans51.528.8-179.5-63.2178.6-16900113.4
295G91.8Very high89.9Confident36 Ų3670.3 Ų70.337%0.37136%0.359SS..THydrogen-bonded Turntrans83.86.8-178.900000115.4A279 C280 R293A279-G295 CarbonylContact C-O 3.52Å; A279-G295 WeakPolarHBondContact CA-O 3.02Å; C280-G295 PolarHBondContact N-O 3.28Å; R293-G295 PolarHBondContact O-N 2.98Å
296A94Very high89.4Confident27 Ų2770.7 Ų70.722%0.22337%0.365CS..EExtended strand (participates in β ladder)trans-124.3147.9173.600000112.1Q278 C280 R293 E298Q278-A296 WeakPolarHBondContact O-CA 3.06Å; C280-A296 VanDerWaalsContact SG-CA 3.57Å; C280-A296 PolarHBondContact SG-N 3.44Å; C280-A296 PolarHBondContact SG-O 3.45Å; R293-A296 PolarHBondContact N-O 3.19Å; R293-A296 PolarHBondContact O-N 2.88Å; A296-E298 PolarHBondContact O-N 3.34Å
297C93.7Very high88.5Confident0 Ų077.5 Ų77.50%040%0.398CS..EExtended strand (participates in β ladder)trans-77.7114176.6-72.80000111.4T274 K275 L276 D277 Q278 C280 C286 R291T274-C297 PolarHBondContact OG1-SG 2.93Å; K275-C297 WeakPolarHBondContact O-CB 3.19Å; L276-C297 WeakPolarHBondContact CA-O 3.06Å; D277-C297 PolarHBondContact N-O 3.19Å; Q278-C297 PolarHBondContact O-N 2.69Å; Q278-C297 VanDerWaalsContact O-N 3.07Å; C280-C297 VanDerWaalsContact CB-SG 3.52Å; C280-C297 PolarHBondContact SG-N 2.95Å; C286-C297 WeakPolarHBondContact CA-SG 3.41Å; C286-C297 HydrophobicContact CB-CB 3.72Å; C286-C297 WeakPolarHBondContact CB-SG 3.48Å; C286-C297 VanDerWaalsContact SG-CA 3.51Å; C286-C297 WeakPolarHBondContact SG-CB 3.43Å; C286-C297 CovalentContact SG-SG 2.03Å; C286-C297 PolarHBondContact SG-SG 2.05Å; R291-C297 WeakPolarHBondContact O-CA 3.01Å
298E93.4Very high87.9Confident67 Ų6785 Ų8531%0.31343%0.426SS..EExtended strand (participates in β ladder)trans-119.8153-179.9-66.9-178.8-170.200111A290 R291 R293 A296A290-E298 CarbonylContact C-O 3.55Å; A290-E298 WeakPolarHBondContact CA-O 3.49Å; A290-E298 VanDerWaalsContact CB-O 3.26Å; A290-E298 WeakPolarHBondContact CB-O 3.32Å; R291-E298 PolarHBondContact N-O 2.93Å; R291-E298 PolarHBondContact O-N 3.19Å; R293-E298 HydrophobicContact CB-CB 4.37Å; R293-E298 HydrophobicContact CB-CG 4.27Å; R293-E298 WeakPolarHBondContact CD-OE2 3.42Å; R293-E298 IonicContact NH1-OE2 2.72Å; A296-E298 PolarHBondContact O-N 3.34Å
299C92.5Very high87.8Confident24 Ų2477 Ų7716%0.16241%0.405CS..EExtended strand (participates in β ladder)trans-63141.8174.7-63.30000112F303 C310C299-F303 HydrophobicContact CB-CB 4.06Å; C299-C310 WeakPolarHBondContact CA-SG 3.1Å; C299-C310 HydrophobicContact CB-CB 3.76Å; C299-C310 WeakPolarHBondContact CB-SG 3.14Å; C299-C310 WeakPolarHBondContact SG-CA 3.44Å; C299-C310 WeakPolarHBondContact SG-CB 3.37Å; C299-C310 CovalentContact SG-SG 2.03Å; C299-C310 PolarHBondContact SG-SG 2.99Å
300D89.8Confident87.6Confident37 Ų3774.6 Ų74.620%0.19839%0.393CS..  trans-55.3153.7169.2-80.2-34.5000111N289 R291 A302 F303N289-D300 PolarHBondContact O-N 2.86Å; R291-D300 IonicContact CZ-OD1 2.58Å; R291-D300 IonicContact NE-OD1 2.84Å; R291-D300 PolarHBondContact NE-OD1 3.17Å; R291-D300 IonicContact NH2-OD1 2.71Å; R291-D300 PolarHBondContact NH2-OD1 2.03Å; D300-A302 PolarHBondContact O-N 3.32Å; D300-F303 HydrophobicContact CB-CD2 3.71Å; D300-F303 HydrophobicContact CB-CE2 4.32Å; D300-F303 WeakPolarHBondContact O-CA 3.44Å; D300-F303 PolarHBondContact O-N 3.44Å
301C82.1Confident87.4Confident118 Ų11875.5 Ų75.580%0.79740%0.398SS*.THydrogen-bonded Turntrans-53.7-29.2-173.451.20000115
302A82Confident87Confident58 Ų5872.9 Ų72.948%0.47939%0.392SS..THydrogen-bonded Turntrans-84-6.5177.100000114.2D300 P313D300-A302 PolarHBondContact O-N 3.32Å; A302-P313 WeakPolarHBondContact O-CD 3.39Å
303F87.2Confident86.1Confident45 Ų4575.2 Ų75.220%0.19741%0.406CS..  trans-116.1150.1-173.6-63.8-99.7000110.8N289 C299 D300 C310 V311 N312N289-F303 HydrophobicContact CB-CD1 3.53Å; N289-F303 HydrophobicContact CB-CD2 3.84Å; N289-F303 HydrophobicContact CB-CE1 3.56Å; N289-F303 HydrophobicContact CB-CE2 3.84Å; N289-F303 HydrophobicContact CB-CG 3.69Å; N289-F303 HydrophobicContact CB-CZ 3.71Å; N289-F303 VanDerWaalsContact CG-CZ 3.42Å; N289-F303 WeakPolarHBondContact ND2-CE1 3.35Å; C299-F303 HydrophobicContact CB-CB 4.06Å; D300-F303 HydrophobicContact CB-CD2 3.71Å; D300-F303 HydrophobicContact CB-CE2 4.32Å; D300-F303 WeakPolarHBondContact O-CA 3.44Å; D300-F303 PolarHBondContact O-N 3.44Å; F303-C310 HydrophobicContact CB-CB 3.87Å; F303-C310 HydrophobicContact CG-CB 4.42Å; F303-V311 WeakPolarHBondContact CA-O 3.31Å; F303-N312 HydrophobicContact CD1-CB 4.06Å; F303-N312 HydrophobicContact CE1-CB 3.86Å
304K85.5Confident85.3Confident133 Ų13375 Ų7558%0.57842%0.416SS*.EExtended strand (participates in β ladder)trans-115.5155.8175.2-61.7-61.6-179.9-171.60110G306 C310 V311 P313K304-G306 PolarHBondContact O-N 3.4Å; K304-G306 VanDerWaalsContact O-N 3.14Å; K304-C310 WeakPolarHBondContact O-CA 3.25Å; K304-V311 PolarHBondContact N-O 2.02Å; K304-V311 PolarHBondContact O-N 2.98Å; K304-P313 HydrophobicContact CG-CG 4.17Å
305I82.6Confident84.5Confident120 Ų12069.5 Ų69.562%0.61539%0.393SS*.EExtended strand (participates in β ladder)trans-66.6112.1174.7-59.9170.9000108
306G79.3Confident83Confident16 Ų1673.7 Ų73.717%0.16541%0.413CS..  trans-89.4-164.2163.900000111K304 K308 A309K304-G306 PolarHBondContact O-N 3.4Å; K304-G306 VanDerWaalsContact O-N 3.14Å; G306-K308 PolarHBondContact O-N 2.03Å; G306-A309 WeakPolarHBondContact CA-O 3.3Å; G306-A309 PolarHBondContact N-O 3.37Å
307M72.7Confident81.4Confident158 Ų15879.6 Ų79.678%0.77844%0.44SS*.SBendtrans-61.5-39.3-175.4-67.6-169.589.500114.1D320M307-D320 PolarHBondContact N-OD2 3.46Å
308K80Confident79.7Confident198 Ų19881.2 Ų81.286%0.86145%0.449SS*.SBendtrans-144.46.8-178.6-68.3-175.8-179.3170.90113.9G306G306-K308 PolarHBondContact O-N 2.03Å
309A86Confident77.9Confident46 Ų4684.6 Ų84.638%0.3847%0.468SS..SBendtrans-151160.8-172.900000110.9G306 V311G306-A309 WeakPolarHBondContact CA-O 3.3Å; G306-A309 PolarHBondContact N-O 3.37Å; A309-V311 PolarHBondContact O-N 3.11Å
310C88.2Confident75.9Confident5 Ų585.6 Ų85.63%0.03447%0.472CS..EExtended strand (participates in β ladder)trans-80.9116.7169.8-65.80000109.2L276 N289 C299 F303 K304L276-C310 WeakPolarHBondContact CD2-SG 3.34Å; N289-C310 HydrophobicContact CB-CB 3.94Å; N289-C310 PolarHBondContact ND2-O 2.95Å; N289-C310 WeakPolarHBondContact O-CB 3.05Å; C299-C310 WeakPolarHBondContact CA-SG 3.1Å; C299-C310 HydrophobicContact CB-CB 3.76Å; C299-C310 WeakPolarHBondContact CB-SG 3.14Å; C299-C310 WeakPolarHBondContact SG-CA 3.44Å; C299-C310 WeakPolarHBondContact SG-CB 3.37Å; C299-C310 CovalentContact SG-SG 2.03Å; C299-C310 PolarHBondContact SG-SG 2.99Å; F303-C310 HydrophobicContact CB-CB 3.87Å; F303-C310 HydrophobicContact CG-CB 4.42Å; K304-C310 WeakPolarHBondContact O-CA 3.25Å
311V88.2Confident73.9Confident30 Ų3086 Ų8618%0.18248%0.484CS..EExtended strand (participates in β ladder)trans-112.7142.9-175.1-57.90000110.3F303 K304 A309 P313 N318F303-V311 WeakPolarHBondContact CA-O 3.31Å; K304-V311 PolarHBondContact N-O 2.02Å; K304-V311 PolarHBondContact O-N 2.98Å; A309-V311 PolarHBondContact O-N 3.11Å; V311-P313 WeakPolarHBondContact O-CD 3.35Å; V311-N318 VanDerWaalsContact CB-ND2 3.28Å; V311-N318 WeakPolarHBondContact CB-ND2 3.42Å; V311-N318 VanDerWaalsContact CG2-ND2 3.34Å; V311-N318 WeakPolarHBondContact CG2-ND2 3.43Å
312N84.3Confident72.3Confident51 Ų5187.3 Ų87.327%0.27348%0.477SS..  trans-79.5119.6174.7-176.8-0.2000107.9F303 D314 D315 N318F303-N312 HydrophobicContact CD1-CB 4.06Å; F303-N312 HydrophobicContact CE1-CB 3.86Å; N312-D314 PolarHBondContact O-N 2.78Å; N312-D314 PolarHBondContact OD1-N 2.82Å; N312-D315 HydrophobicContact CB-CB 3.96Å; N312-D315 PolarHBondContact O-N 2.8Å; N312-N318 PolarHBondContact O-ND2 2.86Å
313P74.3Confident70.6Confident74 Ų7489.9 Ų89.948%0.48148%0.481SS..THydrogen-bonded Turntrans-66.3-24.1176.327.6-34.3000113A302 K304 V311 D315A302-P313 WeakPolarHBondContact O-CD 3.39Å; K304-P313 HydrophobicContact CG-CG 4.17Å; V311-P313 WeakPolarHBondContact O-CD 3.35Å; P313-D315 VanDerWaalsContact C-N 3.34Å
314D74.6Confident68.6Low142 Ų14295.6 Ų95.676%0.75951%0.506SS*.THydrogen-bonded Turntrans-89.20.6-179.2-58.3-43.8000113N312 P316N312-D314 PolarHBondContact O-N 2.78Å; N312-D314 PolarHBondContact OD1-N 2.82Å; D314-P316 WeakPolarHBondContact O-CD 3.4Å
315D71.7Confident66.7Low74 Ų7490.8 Ų90.840%0.39650%0.495SS..  trans-84114.2177.2-173.2-11.1000110.8N312 P313 L317 N318N312-D315 HydrophobicContact CB-CB 3.96Å; N312-D315 PolarHBondContact O-N 2.8Å; P313-D315 VanDerWaalsContact C-N 3.34Å; D315-L317 PolarHBondContact O-N 2.67Å; D315-L317 VanDerWaalsContact O-N 3.12Å; D315-L317 PolarHBondContact OD1-N 3.17Å; D315-N318 HydrophobicContact CB-CB 4.5Å; D315-N318 WeakPolarHBondContact O-CB 3.33Å; D315-N318 PolarHBondContact O-N 2.83Å
316P62Low64.8Low124 Ų12490.6 Ų90.681%0.80549%0.49SS*.THydrogen-bonded Turntrans-65.3-13.6-178.627.1-35.1000114D314D314-P316 WeakPolarHBondContact O-CD 3.4Å
317L60.4Low63Low152 Ų15297.4 Ų97.480%0.79652%0.517SS*.THydrogen-bonded Turntrans-93.77.5179.6-64.3173.5000113.6D315 I319D315-L317 PolarHBondContact O-N 2.67Å; D315-L317 VanDerWaalsContact O-N 3.12Å; D315-L317 PolarHBondContact OD1-N 3.17Å; L317-I319 PolarHBondContact O-N 2.95Å
318N56.7Low61.7Low34 Ų3494.5 Ų94.518%0.18251%0.512CS..  trans-84.7107.6-177.2-173.71.9000112.8V311 N312 D315 D320 G321V311-N318 VanDerWaalsContact CB-ND2 3.28Å; V311-N318 WeakPolarHBondContact CB-ND2 3.42Å; V311-N318 VanDerWaalsContact CG2-ND2 3.34Å; V311-N318 WeakPolarHBondContact CG2-ND2 3.43Å; N312-N318 PolarHBondContact O-ND2 2.86Å; D315-N318 HydrophobicContact CB-CB 4.5Å; D315-N318 WeakPolarHBondContact O-CB 3.33Å; D315-N318 PolarHBondContact O-N 2.83Å; N318-D320 VanDerWaalsContact C-N 3.26Å; N318-D320 PolarHBondContact O-N 3.3Å; N318-D320 PolarHBondContact OD1-N 3.23Å; N318-G321 PolarHBondContact O-N 3.44Å
319I55.2Low60.3Low138 Ų13890.6 Ų90.671%0.70850%0.5SS*.Hα-helixtrans-61.3-28.9179.9-62.3168.3000112.5L317 G321 F322 L323L317-I319 PolarHBondContact O-N 2.95Å; I319-G321 VanDerWaalsContact C-N 3.27Å; I319-G321 PolarHBondContact O-N 2.97Å; I319-F322 VanDerWaalsContact O-CB 3.22Å; I319-F322 WeakPolarHBondContact O-CB 3.49Å; I319-F322 PolarHBondContact O-N 3.33Å; I319-F322 VanDerWaalsContact O-N 3.09Å; I319-L323 PolarHBondContact O-N 2.81Å
320D50.9Low58.3Low45 Ų4596.3 Ų96.324%0.24152%0.516CS..Hα-helixtrans-68.5-28.1176.3-81.1-16.5000111.8M307 N318 F322M307-D320 PolarHBondContact N-OD2 3.46Å; N318-D320 VanDerWaalsContact C-N 3.26Å; N318-D320 PolarHBondContact O-N 3.3Å; N318-D320 PolarHBondContact OD1-N 3.23Å; D320-F322 VanDerWaalsContact C-N 3.3Å
321G49.1Very low55.8Low44 Ų44102.5 Ų102.545%0.45455%0.553SS.*Hα-helixtrans-67.6-31.5171.200000112.4N318 I319 L323 G325N318-G321 PolarHBondContact O-N 3.44Å; I319-G321 VanDerWaalsContact C-N 3.27Å; I319-G321 PolarHBondContact O-N 2.97Å; G321-L323 PolarHBondContact O-N 3.41Å; G321-G325 PolarHBondContact O-N 2.86Å
322F46.6Very low53.4Low147 Ų147107.9 Ų107.965%0.64562%0.615SS**Hα-helixtrans-64.8-40.3177.7-137.2-99.4000111.4I319 D320 G325 F326I319-F322 VanDerWaalsContact O-CB 3.22Å; I319-F322 WeakPolarHBondContact O-CB 3.49Å; I319-F322 PolarHBondContact O-N 3.33Å; I319-F322 VanDerWaalsContact O-N 3.09Å; D320-F322 VanDerWaalsContact C-N 3.3Å; F322-G325 PolarHBondContact O-N 3.11Å; F322-F326 HydrophobicContact CD1-CD2 4.16Å; F322-F326 AromaticContact CD1-CE2 3.75Å; F322-F326 HydrophobicContact CD1-CE2 3.75Å; F322-F326 HydrophobicContact CE1-CD2 4.42Å; F322-F326 AromaticContact CE1-CE2 3.57Å; F322-F326 HydrophobicContact CE1-CE2 3.57Å; F322-F326 HydrophobicContact CE1-CZ 4.43Å; F322-F326 HydrophobicContact CZ-CE2 4.5Å; F322-F326 WeakPolarHBondContact O-CD2 3.34Å; F322-F326 PolarHBondContact O-N 3.32Å
323L46.4Very low51.8Low111 Ų111110.8 Ų110.858%0.58163%0.633SS**Hα-helixtrans-71.4-33.9-179-75.2168.6000113.7I319 G321 G325 F326I319-L323 PolarHBondContact O-N 2.81Å; G321-L323 PolarHBondContact O-N 3.41Å; L323-G325 VanDerWaalsContact C-N 3.35Å; L323-F326 PolarHBondContact O-N 3.47Å
324K46.8Very low50.7Low165 Ų165112.7 Ų112.772%0.71764%0.641SS**Hα-helixtrans-72.8-28.4173.3-80.6-175.1176.3177.80112.8F326 Q327K324-F326 VanDerWaalsContact C-N 3.29Å; K324-F326 PolarHBondContact O-N 3.37Å; K324-Q327 PolarHBondContact O-N 2.89Å
325G45.5Very low49.3Very low33 Ų33111.1 Ų111.134%0.3463%0.634SS.*Hα-helixtrans-65.9-27.6173.100000114G321 F322 L323 S328G321-G325 PolarHBondContact O-N 2.86Å; F322-G325 PolarHBondContact O-N 3.11Å; L323-G325 VanDerWaalsContact C-N 3.35Å; G325-S328 PolarHBondContact O-OG 3.03Å
326F41.2Very low48Very low115 Ų115113.2 Ų113.250%0.50465%0.648SS.*Hα-helixtrans-82.4-22.6178.8-90.1-87000114.3F322 L323 K324 S328F322-F326 HydrophobicContact CD1-CD2 4.16Å; F322-F326 AromaticContact CD1-CE2 3.75Å; F322-F326 HydrophobicContact CD1-CE2 3.75Å; F322-F326 HydrophobicContact CE1-CD2 4.42Å; F322-F326 AromaticContact CE1-CE2 3.57Å; F322-F326 HydrophobicContact CE1-CE2 3.57Å; F322-F326 HydrophobicContact CE1-CZ 4.43Å; F322-F326 HydrophobicContact CZ-CE2 4.5Å; F322-F326 WeakPolarHBondContact O-CD2 3.34Å; F322-F326 PolarHBondContact O-N 3.32Å; L323-F326 PolarHBondContact O-N 3.47Å; K324-F326 VanDerWaalsContact C-N 3.29Å; K324-F326 PolarHBondContact O-N 3.37Å; F326-S328 VanDerWaalsContact C-N 3.35Å
327Q41.7Very low47.1Very low160 Ų160112.6 Ų112.675%0.74864%0.638SS**Hα-helixtrans-77-18.9178-78.6-172.5-22.700113.7K324K324-Q327 PolarHBondContact O-N 2.89Å
328S46.3Very low46.2Very low96 Ų96109.9 Ų109.967%0.67163%0.628SS**THydrogen-bonded Turntrans-92.80.3176.448.30000114.6G325 F326G325-S328 PolarHBondContact O-OG 3.03Å; F326-S328 VanDerWaalsContact C-N 3.35Å
329I49.7Very low45.5Very low117 Ų117115.4 Ų115.460%0.666%0.66SS**THydrogen-bonded Turntrans-101.7-14.2-179.8-62176.3000113.1
330F43.8Very low44.8Very low166 Ų166113.6 Ų113.673%0.72866%0.656SS**SBendtrans-124.622-177.7-71.1-76.5000115.7
331V36.5Very low44.2Very low134 Ų134119.3 Ų119.381%0.81269%0.69SS**  trans-123.771161.3-168.30000108.3
332G37.4Very low43.8Very low144 Ų144126.2 Ų126.2100%1.48571%0.712SS**  trans-113.10152.300000108.2

Retrieved 332 of 332 residues in 566.8 ms (Link to these results)