A0A096N3A6_PAPAN Loading...

Tripartite motif containing 61

AlphaFold DB , UniProt , Accession A0A096N3A6, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 209 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
1M58.8Low79.3Confident219 Ų21998.6 Ų98.6100%1.07953%0.526SS*.  0-32.80-82.4-175.9-84.200112F3 V4M1-F3 PolarHBondContact O-N 3.02Å; M1-V4 PolarHBondContact O-N 3.18Å
2E67.3Low80.2Confident173 Ų17395.8 Ų95.881%0.80853%0.527SS*.Hα-helixtrans-54.1-42.4-179.9-65.1171.7156.800115.5V4 A5 A6E2-V4 PolarHBondContact O-N 3.49Å; E2-A5 PolarHBondContact O-N 2.91Å; E2-A6 PolarHBondContact O-N 3.24Å
3F71Confident81Confident147 Ų147100.3 Ų100.365%0.64554%0.542SS*.Hα-helixtrans-62.1-27.7-179.5-175.1-104.6000114M1 L7M1-F3 PolarHBondContact O-N 3.02Å; F3-L7 HydrophobicContact CD1-CD1 4.02Å; F3-L7 HydrophobicContact CE1-CD1 3.53Å; F3-L7 HydrophobicContact CE1-CG 4.33Å; F3-L7 HydrophobicContact CZ-CD1 3.93Å; F3-L7 HydrophobicContact CZ-CG 4.37Å; F3-L7 WeakPolarHBondContact O-CG 3.41Å; F3-L7 PolarHBondContact O-N 3.04Å
4V74.2Confident82Confident67 Ų6793.5 Ų93.541%0.40651%0.506SS..Hα-helixtrans-79-37.8179.7-176.70000110.7M1 E2 A8M1-V4 PolarHBondContact O-N 3.18Å; E2-V4 PolarHBondContact O-N 3.49Å; V4-A8 PolarHBondContact O-N 2.98Å
5A80.6Confident82.8Confident52 Ų5289 Ų8943%0.4348%0.484SS..Hα-helixtrans-65.2-48.317500000110.8E2 L7 A8 D9E2-A5 PolarHBondContact O-N 2.91Å; A5-L7 PolarHBondContact O-N 3.31Å; A5-L7 VanDerWaalsContact O-N 3.15Å; A5-A8 WeakPolarHBondContact O-CA 3.34Å; A5-A8 WeakPolarHBondContact O-CB 3.37Å; A5-A8 PolarHBondContact O-N 2.71Å; A5-D9 PolarHBondContact O-N 3.14Å
6A82.8Confident83.6Confident55 Ų5583.5 Ų83.546%0.45545%0.454SS..Hα-helixtrans-58.1-33.6178.100000113.6E2 L10E2-A6 PolarHBondContact O-N 3.24Å; A6-L10 WeakPolarHBondContact O-CB 3.48Å; A6-L10 PolarHBondContact O-N 3.21Å
7L84.1Confident84.2Confident27 Ų2781.4 Ų81.414%0.14145%0.446CS..Hα-helixtrans-73.7-28.9174.5-75.3176.7000113.4F3 A5 R11 L81F3-L7 HydrophobicContact CD1-CD1 4.02Å; F3-L7 HydrophobicContact CE1-CD1 3.53Å; F3-L7 HydrophobicContact CE1-CG 4.33Å; F3-L7 HydrophobicContact CZ-CD1 3.93Å; F3-L7 HydrophobicContact CZ-CG 4.37Å; F3-L7 WeakPolarHBondContact O-CG 3.41Å; F3-L7 PolarHBondContact O-N 3.04Å; A5-L7 PolarHBondContact O-N 3.31Å; A5-L7 VanDerWaalsContact O-N 3.15Å; L7-R11 PolarHBondContact O-N 3.04Å; L7-R11 VanDerWaalsContact O-N 3.15Å; L7-L81 HydrophobicContact CD2-CB 4.44Å
8A85.6Confident84.7Confident56 Ų5680.4 Ų80.446%0.46344%0.439SS..Hα-helixtrans-73.9-42174.500000110.7V4 A5 R11 A12V4-A8 PolarHBondContact O-N 2.98Å; A5-A8 WeakPolarHBondContact O-CA 3.34Å; A5-A8 WeakPolarHBondContact O-CB 3.37Å; A5-A8 PolarHBondContact O-N 2.71Å; A8-R11 VanDerWaalsContact O-CB 3.23Å; A8-R11 WeakPolarHBondContact O-CB 3.03Å; A8-R11 PolarHBondContact O-N 3.06Å; A8-R11 VanDerWaalsContact O-N 3.11Å; A8-A12 PolarHBondContact O-N 3.33Å
9D88.8Confident85.3Confident102 Ų10279.4 Ų79.455%0.54544%0.438SS..Hα-helixtrans-62-49175.7-58.3-27.2000110.2A5 R11 A12 E13A5-D9 PolarHBondContact O-N 3.14Å; D9-R11 PolarHBondContact O-N 3.29Å; D9-A12 WeakPolarHBondContact O-CB 3.42Å; D9-A12 PolarHBondContact O-N 3.13Å; D9-E13 WeakPolarHBondContact O-CG 3.28Å; D9-E13 PolarHBondContact O-N 2.83Å
10L88.9Confident85.6Confident72 Ų7282.1 Ų82.138%0.37745%0.451SS..Hα-helixtrans-58.9-32.2174.5-177.663.3000112.7A6 A14 A78 L81A6-L10 WeakPolarHBondContact O-CB 3.48Å; A6-L10 PolarHBondContact O-N 3.21Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 3.04Å; L10-A78 HydrophobicContact CD1-CB 4.36Å; L10-A78 HydrophobicContact CD2-CB 4.07Å; L10-A78 HydrophobicContact CG-CB 3.9Å; L10-L81 HydrophobicContact CD2-CD1 4.1Å
11R90.3Very high86Confident115 Ų11581.4 Ų81.443%0.43445%0.447SS..Hα-helixtrans-65.6-48.8173.9-168.9174.9176.1-177.3-8.6111L7 A8 D9 E13 A14 S15L7-R11 PolarHBondContact O-N 3.04Å; L7-R11 VanDerWaalsContact O-N 3.15Å; A8-R11 VanDerWaalsContact O-CB 3.23Å; A8-R11 WeakPolarHBondContact O-CB 3.03Å; A8-R11 PolarHBondContact O-N 3.06Å; A8-R11 VanDerWaalsContact O-N 3.11Å; D9-R11 PolarHBondContact O-N 3.29Å; R11-E13 VanDerWaalsContact C-N 3.3Å; R11-E13 PolarHBondContact O-N 3Å; R11-A14 PolarHBondContact O-N 3.37Å; R11-S15 WeakPolarHBondContact O-CB 3.32Å; R11-S15 PolarHBondContact O-N 3.16Å; R11-S15 PolarHBondContact O-OG 3.09Å
12A89.4Confident87.7Confident65 Ų6572.2 Ų72.254%0.53740%0.4SS..Hα-helixtrans-59.7-45.8-176.800000110.2A8 D9 A14 S15A8-A12 PolarHBondContact O-N 3.33Å; D9-A12 WeakPolarHBondContact O-CB 3.42Å; D9-A12 PolarHBondContact O-N 3.13Å; A12-A14 VanDerWaalsContact C-N 3.27Å; A12-A14 PolarHBondContact O-N 3.31Å; A12-S15 PolarHBondContact O-N 3.45Å; A12-S15 VanDerWaalsContact O-N 3.15Å
13E91.5Very high89.1Confident154 Ų15464.3 Ų64.372%0.7236%0.363SS*.Hα-helixtrans-63.2-29.8177.5-64.6-55.9140.400113.7D9 R11D9-E13 WeakPolarHBondContact O-CG 3.28Å; D9-E13 PolarHBondContact O-N 2.83Å; R11-E13 VanDerWaalsContact C-N 3.3Å; R11-E13 PolarHBondContact O-N 3Å
14A94.1Very high90.3Very high5 Ų563.2 Ų63.24%0.04136%0.358CS..THydrogen-bonded Turntrans-92.13.6179.200000113.9L10 R11 A12 Y22 L23 T75 A78L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 3.04Å; R11-A14 PolarHBondContact O-N 3.37Å; A12-A14 VanDerWaalsContact C-N 3.27Å; A12-A14 PolarHBondContact O-N 3.31Å; A14-Y22 HydrophobicContact CB-CD1 4.04Å; A14-Y22 HydrophobicContact CB-CE1 4.19Å; A14-Y22 WeakPolarHBondContact O-CA 3.16Å; A14-L23 PolarHBondContact O-N 3.45Å; A14-L23 VanDerWaalsContact O-N 3.09Å; A14-T75 HydrophobicContact CB-CG2 4.28Å; A14-A78 HydrophobicContact CB-CB 3.99Å
15S94.8Very high91.4Very high26 Ų2666 Ų6618%0.18237%0.371CS..BIsolated β-bridgetrans-103.2142.8-175-62.10000111.7R11 A12 D21R11-S15 WeakPolarHBondContact O-CB 3.32Å; R11-S15 PolarHBondContact O-N 3.16Å; R11-S15 PolarHBondContact O-OG 3.09Å; A12-S15 PolarHBondContact O-N 3.45Å; A12-S15 VanDerWaalsContact O-N 3.15Å; S15-D21 CarbonylContact C-O 3.56Å; S15-D21 WeakPolarHBondContact CA-O 3.16Å
16C95.6Very high92.2Very high1 Ų163.8 Ų63.81%0.00735%0.352CS..  trans-74.9128.3172.1-177.70000109.8I18 C19 L20 D21 L23 C36C16-I18 PolarHBondContact O-N 3.45Å; C16-C19 VanDerWaalsContact CB-SG 3.53Å; C16-L20 WeakPolarHBondContact O-CA 3.49Å; C16-L20 PolarHBondContact O-N 2.83Å; C16-D21 PolarHBondContact N-O 2.96Å; C16-L23 HydrophobicContact CB-CD2 3.76Å; C16-L23 HydrophobicContact CB-CG 4.42Å; C16-C36 VanDerWaalsContact CB-SG 3.57Å
17P93.5Very high92.8Very high48 Ų4861.2 Ų61.231%0.31233%0.331SS..THydrogen-bonded Turntrans-70.3-12.4179.629.3-37.5000113.8L20 N34 F35 F55P17-L20 WeakPolarHBondContact O-CD2 3.1Å; P17-N34 WeakPolarHBondContact CD-O 3.35Å; P17-F35 HydrophobicContact CG-CD1 3.62Å; P17-F35 HydrophobicContact CG-CE1 3.33Å; P17-F35 HydrophobicContact CG-CZ 4.23Å; P17-F55 HydrophobicContact CB-CD2 3.63Å; P17-F55 HydrophobicContact CB-CE2 4.26Å; P17-F55 HydrophobicContact CB-CG 4.42Å; P17-F55 HydrophobicContact CG-CB 4.33Å; P17-F55 HydrophobicContact CG-CD2 4.2Å
18I93.3Very high93.4Very high64 Ų6461.5 Ų61.533%0.32833%0.334SS..THydrogen-bonded Turntrans-88-57.1178.7-62.5165.7000110.9C16 F35 C39 S43 P54C16-I18 PolarHBondContact O-N 3.45Å; I18-F35 HydrophobicContact CD1-CB 4.47Å; I18-F35 HydrophobicContact CD1-CD1 3.37Å; I18-F35 HydrophobicContact CD1-CE1 3.88Å; I18-F35 HydrophobicContact CD1-CG 4.18Å; I18-F35 HydrophobicContact CG1-CD1 3.78Å; I18-F35 HydrophobicContact CG1-CE1 4.04Å; I18-C39 HydrophobicContact CB-CB 3.93Å; I18-C39 HydrophobicContact CD1-CB 3.69Å; I18-C39 HydrophobicContact CG1-CB 4.42Å; I18-C39 HydrophobicContact CG2-CB 3.96Å; I18-S43 WeakPolarHBondContact CD1-OG 3.4Å; I18-P54 HydrophobicContact CD1-CB 4.03Å; I18-P54 HydrophobicContact CD1-CG 4.02Å; I18-P54 HydrophobicContact CG1-CB 4.09Å
19C95.2Very high93.8Very high61 Ų6159.1 Ų59.141%0.41231%0.313SS..THydrogen-bonded Turntrans-90.8-8.3-177.366.90000113.9C16 D21C16-C19 VanDerWaalsContact CB-SG 3.53Å; C19-D21 PolarHBondContact O-N 3.13Å; C19-D21 VanDerWaalsContact O-N 3.07Å
20L92Very high94Very high132 Ų13257.8 Ų57.869%0.69131%0.312SS*.SBendtrans58.517.8-179.1-49.1179.1000114.2C16 P17C16-L20 WeakPolarHBondContact O-CA 3.49Å; C16-L20 PolarHBondContact O-N 2.83Å; P17-L20 WeakPolarHBondContact O-CD2 3.1Å
21D93.8Very high94.1Very high69 Ų6956.1 Ų56.137%0.36931%0.306SS..SBendtrans-109.8169.5172.8-165.710.4000109.6S15 C16 C19 K24S15-D21 CarbonylContact C-O 3.56Å; S15-D21 WeakPolarHBondContact CA-O 3.16Å; C16-D21 PolarHBondContact N-O 2.96Å; C19-D21 PolarHBondContact O-N 3.13Å; C19-D21 VanDerWaalsContact O-N 3.07Å; D21-K24 IonicContact OD2-NZ 3.58Å
22Y94.8Very high94.2Very high25 Ų2552.7 Ų52.710%0.09831%0.306CS..BIsolated β-bridgetrans-53.4141.3173.2-72.9-75.9000111.9A14 K24 T75 A78 K79 Q82A14-Y22 HydrophobicContact CB-CD1 4.04Å; A14-Y22 HydrophobicContact CB-CE1 4.19Å; A14-Y22 WeakPolarHBondContact O-CA 3.16Å; Y22-K24 PolarHBondContact O-N 2.9Å; Y22-T75 HydrophobicContact CD1-CG2 3.72Å; Y22-T75 HydrophobicContact CG-CG2 4.13Å; Y22-A78 HydrophobicContact CE1-CB 4.35Å; Y22-K79 HydrophobicContact CD1-CB 4.39Å; Y22-K79 HydrophobicContact CD2-CB 4.35Å; Y22-K79 HydrophobicContact CD2-CD 4.21Å; Y22-K79 HydrophobicContact CD2-CG 4.18Å; Y22-K79 HydrophobicContact CE1-CB 4.07Å; Y22-K79 HydrophobicContact CE2-CB 4.04Å; Y22-K79 HydrophobicContact CE2-CD 4.45Å; Y22-K79 HydrophobicContact CE2-CG 3.92Å; Y22-K79 HydrophobicContact CG-CB 4.49Å; Y22-Q82 PolarHBondContact OH-NE2 2.9Å; Y22-Q82 PolarHBondContact OH-OE1 2.96Å
23L96.3Very high94.4Very high7 Ų752.2 Ų52.24%0.03729%0.293CS..  trans-57.4123.1178-70.3161.2000111.6A14 C16 P26 N34 F35 L71 T75A14-L23 PolarHBondContact O-N 3.45Å; A14-L23 VanDerWaalsContact O-N 3.09Å; C16-L23 HydrophobicContact CB-CD2 3.76Å; C16-L23 HydrophobicContact CB-CG 4.42Å; L23-P26 HydrophobicContact CB-CB 3.98Å; L23-P26 HydrophobicContact CB-CG 4.24Å; L23-P26 HydrophobicContact CD1-CB 4.32Å; L23-P26 HydrophobicContact CD2-CB 4.43Å; L23-P26 HydrophobicContact CG-CB 4.49Å; L23-N34 HydrophobicContact CD1-CB 4.25Å; L23-F35 VanDerWaalsContact CD2-C 3.42Å; L23-L71 HydrophobicContact CD1-CD1 4.42Å; L23-L71 HydrophobicContact CD1-CD2 3.75Å; L23-L71 HydrophobicContact CD1-CG 3.99Å; L23-T75 HydrophobicContact CB-CG2 4.13Å
24K96.2Very high94.7Very high125 Ų12547.3 Ų47.354%0.54327%0.272SS..SBendtrans-110.4125.4172.5-65.1175.5-170.1165.70108.4D21 Y22 C36D21-K24 IonicContact OD2-NZ 3.58Å; Y22-K24 PolarHBondContact O-N 2.9Å; K24-C36 PolarHBondContact N-SG 3.15Å; K24-C36 VanDerWaalsContact O-CA 3.23Å; K24-C36 WeakPolarHBondContact O-CA 3.33Å; K24-C36 VanDerWaalsContact O-CB 3.28Å; K24-C36 WeakPolarHBondContact O-CB 3.45Å
25D97Very high94.8Very high125 Ų12547.1 Ų47.167%0.66827%0.27SS*.SBendtrans46.761.1-172-52.6-47.3000111.4V27 L37D25-V27 PolarHBondContact O-N 2.78Å; D25-L37 HydrophobicContact CB-CB 4.11Å; D25-L37 WeakPolarHBondContact O-CB 3.45Å; D25-L37 PolarHBondContact O-N 3.31Å; D25-L37 VanDerWaalsContact O-N 3.15Å
26P97.4Very high94.9Very high6 Ų646 Ų464%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-60.4137.9-172.512.9-21000112L23 F35 N68 L71 G72L23-P26 HydrophobicContact CB-CB 3.98Å; L23-P26 HydrophobicContact CB-CG 4.24Å; L23-P26 HydrophobicContact CD1-CB 4.32Å; L23-P26 HydrophobicContact CD2-CB 4.43Å; L23-P26 HydrophobicContact CG-CB 4.49Å; P26-F35 WeakPolarHBondContact CA-O 3.42Å; P26-N68 WeakPolarHBondContact CG-O 3.38Å; P26-N68 PolarHBondContact O-N 3.44Å; P26-L71 HydrophobicContact CB-CB 4.32Å; P26-L71 HydrophobicContact CB-CD2 4Å; P26-L71 HydrophobicContact CB-CG 4.15Å; P26-L71 HydrophobicContact CG-CB 4.14Å; P26-L71 HydrophobicContact CG-CG 4.25Å; P26-G72 VanDerWaalsContact CG-CA 3.44Å
27V97.1Very high95Very high1 Ų148.5 Ų48.51%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-126.2146.3172.3-58.30000110.5D25 N34 F35 L37 I40 F65 V66D25-V27 PolarHBondContact O-N 2.78Å; V27-N34 WeakPolarHBondContact O-CA 3.43Å; V27-F35 PolarHBondContact N-O 3.35Å; V27-F35 PolarHBondContact O-N 3.03Å; V27-L37 HydrophobicContact CG1-CB 4.15Å; V27-L37 HydrophobicContact CG1-CD1 3.93Å; V27-I40 HydrophobicContact CG2-CG2 3.62Å; V27-F65 HydrophobicContact CB-CB 4.03Å; V27-F65 HydrophobicContact CB-CD2 3.95Å; V27-F65 HydrophobicContact CB-CG 4.23Å; V27-F65 HydrophobicContact CG1-CD2 3.79Å; V27-F65 HydrophobicContact CG1-CE2 4.33Å; V27-F65 HydrophobicContact CG2-CB 4.04Å; V27-F65 HydrophobicContact CG2-CD2 4.15Å; V27-F65 HydrophobicContact CG2-CG 4.1Å; V27-V66 CarbonylContact C-O 3.17Å; V27-V66 VanDerWaalsContact CA-O 3.27Å; V27-V66 WeakPolarHBondContact CA-O 3.45Å
28T96.1Very high95.2Very high33 Ų3350.1 Ų50.120%0.20229%0.287CS..EExtended strand (participates in β ladder)trans-106.9127.8177.1-50.80000109.3N34 F65 V66 N68T28-N34 PolarHBondContact OG1-OD1 2.82Å; T28-F65 WeakPolarHBondContact O-CA 3.45Å; T28-V66 PolarHBondContact N-O 3.06Å; T28-V66 PolarHBondContact O-N 2.94Å; T28-N68 PolarHBondContact OG1-ND2 2.72Å
29I94Very high95.3Very high6 Ų647.8 Ų47.83%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-94.3173.317563.7172.1000111.2C31 G32 H33 F35 I40 W44 C53 F65I29-C31 VanDerWaalsContact CD1-SG 3.59Å; I29-C31 PolarHBondContact O-N 3.41Å; I29-C31 VanDerWaalsContact O-N 3.11Å; I29-G32 PolarHBondContact O-N 2.99Å; I29-H33 HydrophobicContact CG1-CB 4.46Å; I29-H33 PolarHBondContact N-O 3.05Å; I29-H33 VanDerWaalsContact N-O 3.14Å; I29-F35 HydrophobicContact CD1-CD2 4.35Å; I29-F35 HydrophobicContact CD1-CE2 3.56Å; I29-F35 HydrophobicContact CD1-CZ 4.36Å; I29-F35 HydrophobicContact CG1-CD2 4.46Å; I29-F35 HydrophobicContact CG1-CE2 3.94Å; I29-F35 HydrophobicContact CG2-CD2 4.47Å; I29-I40 HydrophobicContact CG2-CD1 4.39Å; I29-I40 HydrophobicContact CG2-CG1 4.11Å; I29-W44 HydrophobicContact CB-CH2 4.29Å; I29-W44 HydrophobicContact CD1-CZ2 4.35Å; I29-W44 HydrophobicContact CG2-CH2 3.67Å; I29-W44 HydrophobicContact CG2-CZ2 4.13Å; I29-W44 HydrophobicContact CG2-CZ3 4.48Å; I29-C53 HydrophobicContact CD1-CB 3.72Å; I29-F65 HydrophobicContact CG2-CB 4.01Å
30S92.1Very high95.3Very high74 Ų7444.9 Ų44.952%0.51726%0.257SS..THydrogen-bonded Turntrans-58.6-28.4-171.660.80000115G32 C60S30-G32 PolarHBondContact O-N 3.44Å; S30-C60 WeakPolarHBondContact OG-CB 3.24Å; S30-C60 PolarHBondContact OG-SG 3.44Å
31C92Very high95.4Very high36 Ų3642.2 Ų42.224%0.24324%0.242CC..THydrogen-bonded Turntrans-80.61.4175.174.30000114.1I29 H33 F58I29-C31 VanDerWaalsContact CD1-SG 3.59Å; I29-C31 PolarHBondContact O-N 3.41Å; I29-C31 VanDerWaalsContact O-N 3.11Å; C31-H33 PolarHBondContact O-N 3.34Å; C31-H33 PolarHBondContact SG-ND1 3.34Å; C31-F58 HydrophobicContact CB-CB 3.81Å; C31-F58 HydrophobicContact CB-CD1 3.61Å; C31-F58 HydrophobicContact CB-CE1 4.4Å; C31-F58 HydrophobicContact CB-CG 3.83Å
32G91.8Very high95.5Very high43 Ų4345 Ų4544%0.44326%0.255SS..SBendtrans84.8-2.2179.300000115.9I29 S30 N34I29-G32 PolarHBondContact O-N 2.99Å; S30-G32 PolarHBondContact O-N 3.44Å; G32-N34 PolarHBondContact O-ND2 3.01Å
33H94.8Very high95.3Very high56 Ų5646 Ų4626%0.25927%0.266SS..  trans-76.6149.2176.6-72104.9000111.7I29 C31 F35 F55 C56I29-H33 HydrophobicContact CG1-CB 4.46Å; I29-H33 PolarHBondContact N-O 3.05Å; I29-H33 VanDerWaalsContact N-O 3.14Å; C31-H33 PolarHBondContact O-N 3.34Å; C31-H33 PolarHBondContact SG-ND1 3.34Å; H33-F35 HydrophobicContact CB-CE2 3.54Å; H33-F35 HydrophobicContact CB-CZ 3.8Å; H33-F55 AromaticContact CD2-CD1 3.44Å; H33-F55 VanDerWaalsContact CD2-CD1 3.44Å; H33-F55 WeakPolarHBondContact CD2-CD1 3.46Å; H33-F55 AromaticContact CD2-CE1 3.93Å; H33-F55 AromaticContact CE1-CD1 3.71Å; H33-F55 AromaticContact NE2-CD1 3.19Å; H33-F55 WeakPolarHBondContact NE2-CD1 3.38Å; H33-F55 AromaticContact NE2-CE1 3.47Å; H33-F55 WeakPolarHBondContact NE2-CE1 3.39Å; H33-C56 PolarHBondContact CE1-SG 2.99Å; H33-C56 PolarHBondContact ND1-SG 3.31Å
34N96.1Very high95.2Very high51 Ų5145.8 Ų45.827%0.27326%0.264SS..EExtended strand (participates in β ladder)trans-113.8135.7-173.4-56.7-76.4000110.9P17 L23 V27 T28 G32 L71P17-N34 WeakPolarHBondContact CD-O 3.35Å; L23-N34 HydrophobicContact CD1-CB 4.25Å; V27-N34 WeakPolarHBondContact O-CA 3.43Å; T28-N34 PolarHBondContact OG1-OD1 2.82Å; G32-N34 PolarHBondContact O-ND2 3.01Å; N34-L71 HydrophobicContact CB-CD2 3.56Å; N34-L71 WeakPolarHBondContact OD1-CD2 3.38Å
35F96.7Very high94.9Very high0 Ų045.9 Ų45.90%027%0.265CS..EExtended strand (participates in β ladder)trans-140.3161.1-178.8-55.2-89.7000110.4P17 I18 L23 P26 V27 I29 H33 I40 P54 F55P17-F35 HydrophobicContact CG-CD1 3.62Å; P17-F35 HydrophobicContact CG-CE1 3.33Å; P17-F35 HydrophobicContact CG-CZ 4.23Å; I18-F35 HydrophobicContact CD1-CB 4.47Å; I18-F35 HydrophobicContact CD1-CD1 3.37Å; I18-F35 HydrophobicContact CD1-CE1 3.88Å; I18-F35 HydrophobicContact CD1-CG 4.18Å; I18-F35 HydrophobicContact CG1-CD1 3.78Å; I18-F35 HydrophobicContact CG1-CE1 4.04Å; L23-F35 VanDerWaalsContact CD2-C 3.42Å; P26-F35 WeakPolarHBondContact CA-O 3.42Å; V27-F35 PolarHBondContact N-O 3.35Å; V27-F35 PolarHBondContact O-N 3.03Å; I29-F35 HydrophobicContact CD1-CD2 4.35Å; I29-F35 HydrophobicContact CD1-CE2 3.56Å; I29-F35 HydrophobicContact CD1-CZ 4.36Å; I29-F35 HydrophobicContact CG1-CD2 4.46Å; I29-F35 HydrophobicContact CG1-CE2 3.94Å; I29-F35 HydrophobicContact CG2-CD2 4.47Å; H33-F35 HydrophobicContact CB-CE2 3.54Å; H33-F35 HydrophobicContact CB-CZ 3.8Å; F35-I40 HydrophobicContact CB-CB 4.08Å; F35-I40 HydrophobicContact CD2-CD1 4.11Å; F35-I40 HydrophobicContact CE2-CD1 4.4Å; F35-I40 HydrophobicContact CG-CB 4.5Å; F35-I40 HydrophobicContact CG-CD1 4.34Å; F35-P54 HydrophobicContact CE1-CB 4.09Å; F35-P54 HydrophobicContact CE1-CG 4.29Å; F35-P54 HydrophobicContact CZ-CB 4.47Å; F35-P54 HydrophobicContact CZ-CG 4.45Å; F35-F55 HydrophobicContact CE1-CB 4.31Å; F35-F55 HydrophobicContact CZ-CB 4.07Å
36C97.9Very high94.5Very high2 Ų246.5 Ų46.51%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-64.4142.5163.3-530000109.1C16 K24 S38 C39 I40C16-C36 VanDerWaalsContact CB-SG 3.57Å; K24-C36 PolarHBondContact N-SG 3.15Å; K24-C36 VanDerWaalsContact O-CA 3.23Å; K24-C36 WeakPolarHBondContact O-CA 3.33Å; K24-C36 VanDerWaalsContact O-CB 3.28Å; K24-C36 WeakPolarHBondContact O-CB 3.45Å; C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 2.92Å; C36-C39 HydrophobicContact CB-CB 4Å; C36-C39 WeakPolarHBondContact O-CB 3.22Å; C36-C39 PolarHBondContact O-N 3.12Å; C36-I40 PolarHBondContact O-N 3.05Å; C36-I40 VanDerWaalsContact O-N 3.08Å
37L97Very high94Very high55 Ų5549 Ų4929%0.28828%0.281SS..Hα-helixtrans-50.9-48175.8177.461.7000112.2D25 V27 C39 I40 I41 F65D25-L37 HydrophobicContact CB-CB 4.11Å; D25-L37 WeakPolarHBondContact O-CB 3.45Å; D25-L37 PolarHBondContact O-N 3.31Å; D25-L37 VanDerWaalsContact O-N 3.15Å; V27-L37 HydrophobicContact CG1-CB 4.15Å; V27-L37 HydrophobicContact CG1-CD1 3.93Å; L37-C39 VanDerWaalsContact C-N 3.35Å; L37-C39 PolarHBondContact O-N 2.82Å; L37-I40 WeakPolarHBondContact O-CG2 3.49Å; L37-I41 HydrophobicContact CD1-CD1 3.66Å; L37-I41 HydrophobicContact CD1-CG1 4.23Å; L37-I41 HydrophobicContact CG-CD1 3.81Å; L37-I41 WeakPolarHBondContact O-CB 3.31Å; L37-I41 VanDerWaalsContact O-CG1 3.23Å; L37-I41 WeakPolarHBondContact O-CG1 3.34Å; L37-I41 PolarHBondContact O-N 3.46Å; L37-I41 VanDerWaalsContact O-N 3.09Å; L37-F65 HydrophobicContact CD1-CD2 4.11Å; L37-F65 HydrophobicContact CD1-CE2 3.29Å; L37-F65 HydrophobicContact CD1-CZ 3.57Å
38S97.4Very high93.2Very high81 Ų8155.6 Ų55.657%0.56632%0.316SS*.Hα-helixtrans-63.8-38.5179.156.10000113.1C36 M42C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 2.92Å; S38-M42 WeakPolarHBondContact O-CB 3.5Å; S38-M42 PolarHBondContact O-N 3.44Å
39C96.7Very high92.5Very high16 Ų1661.9 Ų61.911%0.10835%0.348CS..Hα-helixtrans-65.6-47.4-179.4-67.80000111.2I18 C36 L37 M42 S43I18-C39 HydrophobicContact CB-CB 3.93Å; I18-C39 HydrophobicContact CD1-CB 3.69Å; I18-C39 HydrophobicContact CG1-CB 4.42Å; I18-C39 HydrophobicContact CG2-CB 3.96Å; C36-C39 HydrophobicContact CB-CB 4Å; C36-C39 WeakPolarHBondContact O-CB 3.22Å; C36-C39 PolarHBondContact O-N 3.12Å; L37-C39 VanDerWaalsContact C-N 3.35Å; L37-C39 PolarHBondContact O-N 2.82Å; C39-M42 PolarHBondContact O-N 2.9Å; C39-S43 PolarHBondContact O-N 2.89Å; C39-S43 PolarHBondContact O-OG 3.31Å; C39-S43 VanDerWaalsContact O-OG 3.14Å
40I94.6Very high92.1Very high0 Ų064.3 Ų64.30%037%0.366CS..Hα-helixtrans-70.7-36.4-179-164.662.7000112.1V27 I29 F35 C36 L37 M42 S43 W44 P54 F65V27-I40 HydrophobicContact CG2-CG2 3.62Å; I29-I40 HydrophobicContact CG2-CD1 4.39Å; I29-I40 HydrophobicContact CG2-CG1 4.11Å; F35-I40 HydrophobicContact CB-CB 4.08Å; F35-I40 HydrophobicContact CD2-CD1 4.11Å; F35-I40 HydrophobicContact CE2-CD1 4.4Å; F35-I40 HydrophobicContact CG-CB 4.5Å; F35-I40 HydrophobicContact CG-CD1 4.34Å; C36-I40 PolarHBondContact O-N 3.05Å; C36-I40 VanDerWaalsContact O-N 3.08Å; L37-I40 WeakPolarHBondContact O-CG2 3.49Å; I40-M42 VanDerWaalsContact C-N 3.29Å; I40-M42 PolarHBondContact O-N 3.01Å; I40-S43 PolarHBondContact O-N 3.41Å; I40-W44 HydrophobicContact CD1-CD2 4.13Å; I40-W44 HydrophobicContact CD1-CH2 4.46Å; I40-W44 HydrophobicContact CD1-CZ2 3.88Å; I40-W44 HydrophobicContact CG1-CD2 4.04Å; I40-W44 HydrophobicContact CG1-CE3 4.11Å; I40-W44 HydrophobicContact CG1-CH2 4.23Å; I40-W44 HydrophobicContact CG1-CZ2 4.13Å; I40-W44 HydrophobicContact CG1-CZ3 4.22Å; I40-W44 PolarHBondContact O-N 2.97Å; I40-P54 HydrophobicContact CD1-CG 3.79Å; I40-F65 HydrophobicContact CG2-CD1 4.23Å; I40-F65 HydrophobicContact CG2-CE1 4.41Å
41I94.1Very high91.9Very high75 Ų7561.7 Ų61.739%0.38535%0.345SS..Hα-helixtrans-59.6-43.2174.1-73171.5000110.5L37 W44 K45 F65L37-I41 HydrophobicContact CD1-CD1 3.66Å; L37-I41 HydrophobicContact CD1-CG1 4.23Å; L37-I41 HydrophobicContact CG-CD1 3.81Å; L37-I41 WeakPolarHBondContact O-CB 3.31Å; L37-I41 VanDerWaalsContact O-CG1 3.23Å; L37-I41 WeakPolarHBondContact O-CG1 3.34Å; L37-I41 PolarHBondContact O-N 3.46Å; L37-I41 VanDerWaalsContact O-N 3.09Å; I41-W44 CarbonylContact O-C 3.55Å; I41-W44 PolarHBondContact O-N 3.25Å; I41-K45 PolarHBondContact O-N 3.47Å; I41-K45 VanDerWaalsContact O-N 3.15Å; I41-F65 HydrophobicContact CD1-CZ 4.48Å; I41-F65 HydrophobicContact CG1-CE1 4.37Å; I41-F65 HydrophobicContact CG1-CZ 4.25Å
42M94.6Very high91.8Very high128 Ų12862 Ų6263%0.63135%0.347SS*.Hα-helixtrans-66.7-43.2177.9-169.96265.100111.7S38 C39 I40 W44 K45S38-M42 WeakPolarHBondContact O-CB 3.5Å; S38-M42 PolarHBondContact O-N 3.44Å; C39-M42 PolarHBondContact O-N 2.9Å; I40-M42 VanDerWaalsContact C-N 3.29Å; I40-M42 PolarHBondContact O-N 3.01Å; M42-W44 PolarHBondContact O-N 3.32Å; M42-K45 WeakPolarHBondContact O-CB 3.28Å; M42-K45 PolarHBondContact O-N 3.35Å; M42-K45 HydrophobicContact SD-CD 4.05Å
43S91.6Very high91.7Very high47 Ų4759.9 Ų59.933%0.32933%0.325SS..Hα-helixtrans-61.6-28.6177.6-660000113.5I18 C39 I40I18-S43 WeakPolarHBondContact CD1-OG 3.4Å; C39-S43 PolarHBondContact O-N 2.89Å; C39-S43 PolarHBondContact O-OG 3.31Å; C39-S43 VanDerWaalsContact O-OG 3.14Å; I40-S43 PolarHBondContact O-N 3.41Å
44W93.2Very high91.5Very high1 Ų159.5 Ų59.50%0.00433%0.328CS..THydrogen-bonded Turntrans-105.316.6179-64.5-14.3000113.6I29 I40 I41 M42 D46 F51 P52 C60 R63 F65I29-W44 HydrophobicContact CB-CH2 4.29Å; I29-W44 HydrophobicContact CD1-CZ2 4.35Å; I29-W44 HydrophobicContact CG2-CH2 3.67Å; I29-W44 HydrophobicContact CG2-CZ2 4.13Å; I29-W44 HydrophobicContact CG2-CZ3 4.48Å; I40-W44 HydrophobicContact CD1-CD2 4.13Å; I40-W44 HydrophobicContact CD1-CH2 4.46Å; I40-W44 HydrophobicContact CD1-CZ2 3.88Å; I40-W44 HydrophobicContact CG1-CD2 4.04Å; I40-W44 HydrophobicContact CG1-CE3 4.11Å; I40-W44 HydrophobicContact CG1-CH2 4.23Å; I40-W44 HydrophobicContact CG1-CZ2 4.13Å; I40-W44 HydrophobicContact CG1-CZ3 4.22Å; I40-W44 PolarHBondContact O-N 2.97Å; I41-W44 CarbonylContact O-C 3.55Å; I41-W44 PolarHBondContact O-N 3.25Å; M42-W44 PolarHBondContact O-N 3.32Å; W44-D46 PolarHBondContact O-N 3.02Å; W44-F51 HydrophobicContact CB-CD1 4.1Å; W44-F51 HydrophobicContact CD2-CB 4.04Å; W44-F51 AromaticContact CD2-CD1 3.96Å; W44-F51 HydrophobicContact CD2-CD1 3.96Å; W44-F51 HydrophobicContact CD2-CG 4.38Å; W44-F51 HydrophobicContact CE3-CB 4.45Å; W44-F51 HydrophobicContact CE3-CD1 4.22Å; W44-F51 AromaticContact CG-CD1 3.93Å; W44-F51 HydrophobicContact CG-CD1 3.93Å; W44-F51 HydrophobicContact CH2-CB 4.24Å; W44-F51 HydrophobicContact CZ2-CB 3.82Å; W44-P52 PolarHBondContact NE1-O 3.26Å; W44-C60 HydrophobicContact CZ2-CB 4.44Å; W44-R63 HydrophobicContact CE3-CG 3.7Å; W44-R63 HydrophobicContact CZ3-CG 4.11Å; W44-R63 PolarHBondContact O-NH2 3.23Å; W44-R63 VanDerWaalsContact O-NH2 3.12Å; W44-F65 HydrophobicContact CZ3-CD1 4.02Å
45K89.9Confident91.1Very high128 Ų12862.8 Ų62.856%0.55734%0.34SS*.THydrogen-bonded Turntrans-62.7-42.9-172.5-173.2-176.6172.3-168.40112.6I41 M42I41-K45 PolarHBondContact O-N 3.47Å; I41-K45 VanDerWaalsContact O-N 3.15Å; M42-K45 WeakPolarHBondContact O-CB 3.28Å; M42-K45 PolarHBondContact O-N 3.35Å; M42-K45 HydrophobicContact SD-CD 4.05Å
46D89.3Confident90.8Very high137 Ų13765.4 Ų65.473%0.73336%0.357SS*.THydrogen-bonded Turntrans-111.828.8-171.5-50.6-49.8000112.1W44W44-D46 PolarHBondContact O-N 3.02Å
47L87.2Confident90.3Very high60 Ų6072 Ų7231%0.31439%0.388SS..  trans-116.9129.7179.8-62.3176.5000109.9S50 F51 P52L47-S50 WeakPolarHBondContact CB-O 3.23Å; L47-S50 WeakPolarHBondContact CD1-O 3.46Å; L47-F51 HydrophobicContact CB-CD1 4.28Å; L47-F51 HydrophobicContact CB-CE1 4.17Å; L47-F51 VanDerWaalsContact O-CE1 3.32Å; L47-F51 WeakPolarHBondContact O-CE1 3.46Å; L47-P52 HydrophobicContact CD1-CG 4.45Å
48D79.7Confident89.8Confident139 Ų13974.6 Ų74.674%0.74340%0.397SS*.SBendtrans-106.7-43.7-175.6-68.2-41.6000113F51D48-F51 WeakPolarHBondContact O-CZ 3.39Å
49D82.8Confident89.2Confident164 Ų16474.5 Ų74.588%0.87740%0.395SS*.SBendtrans-116.8-9.1-170.7-63.7-42.2000115
50S84.7Confident88.5Confident57 Ų5773.9 Ų73.940%0.39939%0.391SS..  trans-142.6127.2-177.9-176.90000111.3L47 P52L47-S50 WeakPolarHBondContact CB-O 3.23Å; L47-S50 WeakPolarHBondContact CD1-O 3.46Å; S50-P52 VanDerWaalsContact C-CD 3.46Å; S50-P52 VanDerWaalsContact O-CD 3.24Å; S50-P52 WeakPolarHBondContact O-CD 3.5Å
51F88Confident87.7Confident19 Ų1979.1 Ų79.18%0.08343%0.425CS..EExtended strand (participates in β ladder)trans-119.173.8-176.5-55.5-73000110.1W44 L47 D48 C60 R63W44-F51 HydrophobicContact CB-CD1 4.1Å; W44-F51 HydrophobicContact CD2-CB 4.04Å; W44-F51 AromaticContact CD2-CD1 3.96Å; W44-F51 HydrophobicContact CD2-CD1 3.96Å; W44-F51 HydrophobicContact CD2-CG 4.38Å; W44-F51 HydrophobicContact CE3-CB 4.45Å; W44-F51 HydrophobicContact CE3-CD1 4.22Å; W44-F51 AromaticContact CG-CD1 3.93Å; W44-F51 HydrophobicContact CG-CD1 3.93Å; W44-F51 HydrophobicContact CH2-CB 4.24Å; W44-F51 HydrophobicContact CZ2-CB 3.82Å; L47-F51 HydrophobicContact CB-CD1 4.28Å; L47-F51 HydrophobicContact CB-CE1 4.17Å; L47-F51 VanDerWaalsContact O-CE1 3.32Å; L47-F51 WeakPolarHBondContact O-CE1 3.46Å; D48-F51 WeakPolarHBondContact O-CZ 3.39Å; F51-C60 HydrophobicContact CB-CB 4.19Å; F51-C60 WeakPolarHBondContact O-CB 3.31Å; F51-C60 PolarHBondContact O-N 2.93Å; F51-C60 PolarHBondContact O-SG 2.93Å; F51-C60 VanDerWaalsContact O-SG 3.39Å; F51-R63 HydrophobicContact CD1-CB 4.11Å; F51-R63 HydrophobicContact CD1-CG 3.97Å; F51-R63 HydrophobicContact CD2-CB 4.09Å; F51-R63 HydrophobicContact CE1-CB 3.82Å; F51-R63 HydrophobicContact CE1-CG 3.74Å; F51-R63 HydrophobicContact CE2-CB 3.81Å; F51-R63 HydrophobicContact CG-CB 4.24Å; F51-R63 HydrophobicContact CG-CG 4.5Å; F51-R63 HydrophobicContact CZ-CB 3.68Å; F51-R63 HydrophobicContact CZ-CG 4.11Å
52P89.3Confident87.1Confident42 Ų4280.2 Ų80.227%0.27343%0.429SS..EExtended strand (participates in β ladder)trans-65.4141.5178.528.3-33.5000110.5W44 L47 S50 P54 F58W44-P52 PolarHBondContact NE1-O 3.26Å; L47-P52 HydrophobicContact CD1-CG 4.45Å; S50-P52 VanDerWaalsContact C-CD 3.46Å; S50-P52 VanDerWaalsContact O-CD 3.24Å; S50-P52 WeakPolarHBondContact O-CD 3.5Å; P52-P54 WeakPolarHBondContact O-CD 3.29Å; P52-F58 WeakPolarHBondContact CA-O 3.48Å
53C90.6Very high86.7Confident0 Ų079.6 Ų79.60%042%0.419CS..  trans-61.2125168.31730000109.7I29 F55 C56 H57 F58I29-C53 HydrophobicContact CD1-CB 3.72Å; C53-F55 PolarHBondContact O-N 3.5Å; C53-F55 PolarHBondContact SG-N 3.21Å; C53-F55 VanDerWaalsContact SG-N 3.37Å; C53-C56 PolarHBondContact SG-N 3.48Å; C53-C56 VanDerWaalsContact SG-N 3.38Å; C53-C56 PolarHBondContact SG-SG 3.44Å; C53-H57 VanDerWaalsContact O-CA 3.22Å; C53-H57 WeakPolarHBondContact O-CA 3.32Å; C53-H57 PolarHBondContact O-N 3.24Å; C53-F58 HydrophobicContact CB-CB 4.42Å; C53-F58 PolarHBondContact N-O 2.93Å
54P90.8Very high86.6Confident47 Ų4783.4 Ų83.431%0.30543%0.43SS..THydrogen-bonded Turntrans-63.3-11.1178.6-27.338.1000115.2I18 F35 I40 P52I18-P54 HydrophobicContact CD1-CB 4.03Å; I18-P54 HydrophobicContact CD1-CG 4.02Å; I18-P54 HydrophobicContact CG1-CB 4.09Å; F35-P54 HydrophobicContact CE1-CB 4.09Å; F35-P54 HydrophobicContact CE1-CG 4.29Å; F35-P54 HydrophobicContact CZ-CB 4.47Å; F35-P54 HydrophobicContact CZ-CG 4.45Å; I40-P54 HydrophobicContact CD1-CG 3.79Å; P52-P54 WeakPolarHBondContact O-CD 3.29Å
55F88.1Confident86.6Confident120 Ų12086.5 Ų86.553%0.52644%0.444SS..THydrogen-bonded Turntrans-106-50.7-177.9-177-98.5000113.4P17 H33 F35 C53P17-F55 HydrophobicContact CB-CD2 3.63Å; P17-F55 HydrophobicContact CB-CE2 4.26Å; P17-F55 HydrophobicContact CB-CG 4.42Å; P17-F55 HydrophobicContact CG-CB 4.33Å; P17-F55 HydrophobicContact CG-CD2 4.2Å; H33-F55 AromaticContact CD2-CD1 3.44Å; H33-F55 VanDerWaalsContact CD2-CD1 3.44Å; H33-F55 WeakPolarHBondContact CD2-CD1 3.46Å; H33-F55 AromaticContact CD2-CE1 3.93Å; H33-F55 AromaticContact CE1-CD1 3.71Å; H33-F55 AromaticContact NE2-CD1 3.19Å; H33-F55 WeakPolarHBondContact NE2-CD1 3.38Å; H33-F55 AromaticContact NE2-CE1 3.47Å; H33-F55 WeakPolarHBondContact NE2-CE1 3.39Å; F35-F55 HydrophobicContact CE1-CB 4.31Å; F35-F55 HydrophobicContact CZ-CB 4.07Å; C53-F55 PolarHBondContact O-N 3.5Å; C53-F55 PolarHBondContact SG-N 3.21Å; C53-F55 VanDerWaalsContact SG-N 3.37Å
56C89.6Confident86.9Confident55 Ų5585.5 Ų85.537%0.37245%0.448SS..THydrogen-bonded Turntrans-109.5-0.4-176.770.20000114.3H33 C53 F58H33-C56 PolarHBondContact CE1-SG 2.99Å; H33-C56 PolarHBondContact ND1-SG 3.31Å; C53-C56 PolarHBondContact SG-N 3.48Å; C53-C56 VanDerWaalsContact SG-N 3.38Å; C53-C56 PolarHBondContact SG-SG 3.44Å; C56-F58 PolarHBondContact O-N 3.11Å; C56-F58 VanDerWaalsContact SG-CB 3.58Å
57H87.9Confident87.2Confident140 Ų14083.2 Ų83.265%0.64844%0.443SS*.  trans60.710.2-179.2-56.4-80000116C53 C59C53-H57 VanDerWaalsContact O-CA 3.22Å; C53-H57 WeakPolarHBondContact O-CA 3.32Å; C53-H57 PolarHBondContact O-N 3.24Å; H57-C59 PolarHBondContact O-N 3.22Å
58F86.7Confident87.6Confident110 Ų11082.3 Ų82.348%0.48244%0.438SS..  trans-57.9126170.8-176.7-92.8000110.5C31 P52 C53 C56 C60C31-F58 HydrophobicContact CB-CB 3.81Å; C31-F58 HydrophobicContact CB-CD1 3.61Å; C31-F58 HydrophobicContact CB-CE1 4.4Å; C31-F58 HydrophobicContact CB-CG 3.83Å; P52-F58 WeakPolarHBondContact CA-O 3.48Å; C53-F58 HydrophobicContact CB-CB 4.42Å; C53-F58 PolarHBondContact N-O 2.93Å; C56-F58 PolarHBondContact O-N 3.11Å; C56-F58 VanDerWaalsContact SG-CB 3.58Å; F58-C60 PolarHBondContact O-N 3.18Å
59C84.4Confident88.3Confident79 Ų7980.1 Ų80.153%0.53443%0.431SS..EExtended strand (participates in β ladder)trans-72.2108.6177.9-67.60000110H57H57-C59 PolarHBondContact O-N 3.22Å
60C81.8Confident88.9Confident3 Ų379.6 Ų79.62%0.0242%0.424CS..EExtended strand (participates in β ladder)trans-76.9126.7174.1-54.70000108.4S30 W44 F51 F58 E62S30-C60 WeakPolarHBondContact OG-CB 3.24Å; S30-C60 PolarHBondContact OG-SG 3.44Å; W44-C60 HydrophobicContact CZ2-CB 4.44Å; F51-C60 HydrophobicContact CB-CB 4.19Å; F51-C60 WeakPolarHBondContact O-CB 3.31Å; F51-C60 PolarHBondContact O-N 2.93Å; F51-C60 PolarHBondContact O-SG 2.93Å; F51-C60 VanDerWaalsContact O-SG 3.39Å; F58-C60 PolarHBondContact O-N 3.18Å; C60-E62 PolarHBondContact O-N 2.92Å
61P76.6Confident89.4Confident110 Ų11078.2 Ų78.271%0.71441%0.412SS*.SBendtrans-69.9-17.7-173.725.2-32.8000113.5
62E82.6Confident89.7Confident99 Ų9978.1 Ų78.146%0.46342%0.416SS..SBendtrans-140.9153.2-179.7-59.4174.9137.800109.9C60 K64C60-E62 PolarHBondContact O-N 2.92Å; E62-K64 HydrophobicContact CB-CB 4.4Å; E62-K64 HydrophobicContact CB-CD 4.31Å; E62-K64 HydrophobicContact CB-CG 3.96Å; E62-K64 PolarHBondContact O-N 3.18Å; E62-K64 IonicContact OE1-NZ 2.9Å; E62-K64 PolarHBondContact OE1-NZ 3.19Å; E62-K64 WeakPolarHBondContact OE2-CD 3.47Å; E62-K64 WeakPolarHBondContact OE2-CE 3.25Å; E62-K64 IonicContact OE2-NZ 2.92Å; E62-K64 PolarHBondContact OE2-NZ 3.26Å
63R86.4Confident89.9Confident115 Ų11580.1 Ų80.143%0.43443%0.431SS..SBendtrans-73.753.5171.5-161.1-178.3178.5159.43.3111.7W44 F51W44-R63 HydrophobicContact CE3-CG 3.7Å; W44-R63 HydrophobicContact CZ3-CG 4.11Å; W44-R63 PolarHBondContact O-NH2 3.23Å; W44-R63 VanDerWaalsContact O-NH2 3.12Å; F51-R63 HydrophobicContact CD1-CB 4.11Å; F51-R63 HydrophobicContact CD1-CG 3.97Å; F51-R63 HydrophobicContact CD2-CB 4.09Å; F51-R63 HydrophobicContact CE1-CB 3.82Å; F51-R63 HydrophobicContact CE1-CG 3.74Å; F51-R63 HydrophobicContact CE2-CB 3.81Å; F51-R63 HydrophobicContact CG-CB 4.24Å; F51-R63 HydrophobicContact CG-CG 4.5Å; F51-R63 HydrophobicContact CZ-CB 3.68Å; F51-R63 HydrophobicContact CZ-CG 4.11Å
64K88.6Confident90.1Very high126 Ų12685.3 Ų85.355%0.54846%0.458SS..  trans-114.5139.5-178.5-67.3-170.9-167.9153.80111.1E62E62-K64 HydrophobicContact CB-CB 4.4Å; E62-K64 HydrophobicContact CB-CD 4.31Å; E62-K64 HydrophobicContact CB-CG 3.96Å; E62-K64 PolarHBondContact O-N 3.18Å; E62-K64 IonicContact OE1-NZ 2.9Å; E62-K64 PolarHBondContact OE1-NZ 3.19Å; E62-K64 WeakPolarHBondContact OE2-CD 3.47Å; E62-K64 WeakPolarHBondContact OE2-CE 3.25Å; E62-K64 IonicContact OE2-NZ 2.92Å; E62-K64 PolarHBondContact OE2-NZ 3.26Å
65F92.8Very high90.2Very high67 Ų6783 Ų8329%0.29444%0.444SS..EExtended strand (participates in β ladder)trans-143.8151.2170.648.8-104000108.9V27 T28 I29 L37 I40 I41 W44V27-F65 HydrophobicContact CB-CB 4.03Å; V27-F65 HydrophobicContact CB-CD2 3.95Å; V27-F65 HydrophobicContact CB-CG 4.23Å; V27-F65 HydrophobicContact CG1-CD2 3.79Å; V27-F65 HydrophobicContact CG1-CE2 4.33Å; V27-F65 HydrophobicContact CG2-CB 4.04Å; V27-F65 HydrophobicContact CG2-CD2 4.15Å; V27-F65 HydrophobicContact CG2-CG 4.1Å; T28-F65 WeakPolarHBondContact O-CA 3.45Å; I29-F65 HydrophobicContact CG2-CB 4.01Å; L37-F65 HydrophobicContact CD1-CD2 4.11Å; L37-F65 HydrophobicContact CD1-CE2 3.29Å; L37-F65 HydrophobicContact CD1-CZ 3.57Å; I40-F65 HydrophobicContact CG2-CD1 4.23Å; I40-F65 HydrophobicContact CG2-CE1 4.41Å; I41-F65 HydrophobicContact CD1-CZ 4.48Å; I41-F65 HydrophobicContact CG1-CE1 4.37Å; I41-F65 HydrophobicContact CG1-CZ 4.25Å; W44-F65 HydrophobicContact CZ3-CD1 4.02Å
66V96.1Very high90.4Very high106 Ų10681.4 Ų81.464%0.64244%0.438SS*.EExtended strand (participates in β ladder)trans-111.4127.6-178.7-1780000108.7V27 T28 N68V27-V66 CarbonylContact C-O 3.17Å; V27-V66 VanDerWaalsContact CA-O 3.27Å; V27-V66 WeakPolarHBondContact CA-O 3.45Å; T28-V66 PolarHBondContact N-O 3.06Å; T28-V66 PolarHBondContact O-N 2.94Å; V66-N68 PolarHBondContact O-N 3.07Å
67S96.6Very high90.4Very high89 Ų8982.9 Ų82.962%0.62244%0.442SS*.EExtended strand (participates in β ladder)trans-60.4133.9173.5-59.70000111P69S67-P69 VanDerWaalsContact C-CD 3.46Å; S67-P69 VanDerWaalsContact O-CD 3.28Å; S67-P69 WeakPolarHBondContact O-CD 3.4Å
68N96Very high90.5Very high41 Ų4176.3 Ų76.322%0.21941%0.411CS..  trans-12172.8-177.6-166.9-22000111.3P26 T28 V66 Q70 L71 G72P26-N68 WeakPolarHBondContact CG-O 3.38Å; P26-N68 PolarHBondContact O-N 3.44Å; T28-N68 PolarHBondContact OG1-ND2 2.72Å; V66-N68 PolarHBondContact O-N 3.07Å; N68-Q70 PolarHBondContact O-N 3.13Å; N68-L71 HydrophobicContact CB-CB 4.07Å; N68-L71 VanDerWaalsContact CG-CB 3.41Å; N68-L71 PolarHBondContact O-N 2.81Å; N68-L71 VanDerWaalsContact O-N 3.14Å; N68-L71 VanDerWaalsContact OD1-CB 3.31Å; N68-L71 WeakPolarHBondContact OD1-CB 3.38Å; N68-L71 PolarHBondContact OD1-N 3.37Å; N68-G72 PolarHBondContact O-N 3.23Å; N68-G72 VanDerWaalsContact O-N 3.12Å
69P94.3Very high90.7Very high93 Ų9374.5 Ų74.560%0.60440%0.403SS*.Hα-helixtrans-64.1-25.5-177.124.9-33.4000113.4S67 G72 S73S67-P69 VanDerWaalsContact C-CD 3.46Å; S67-P69 VanDerWaalsContact O-CD 3.28Å; S67-P69 WeakPolarHBondContact O-CD 3.4Å; P69-G72 PolarHBondContact O-N 3.32Å; P69-S73 PolarHBondContact O-N 3.49Å; P69-S73 PolarHBondContact O-OG 3.01Å
70Q95.5Very high90.8Very high154 Ų15475.1 Ų75.172%0.7240%0.398SS*.Hα-helixtrans-64.7-46.1173.6-69.1-175.9-42.200111.1N68 G72 S73 L74N68-Q70 PolarHBondContact O-N 3.13Å; Q70-G72 VanDerWaalsContact C-N 3.26Å; Q70-G72 PolarHBondContact O-N 2.79Å; Q70-S73 WeakPolarHBondContact O-CB 3.36Å; Q70-S73 PolarHBondContact O-N 2.87Å; Q70-S73 VanDerWaalsContact O-N 3.16Å; Q70-L74 WeakPolarHBondContact O-CG 3.31Å; Q70-L74 PolarHBondContact O-N 3.3Å
71L94.9Very high90.9Very high28 Ų2878.1 Ų78.115%0.14741%0.413CS..Hα-helixtrans-62.6-35.4173.6-17657.7000111.7L23 P26 N34 N68 S73 L74 T75L23-L71 HydrophobicContact CD1-CD1 4.42Å; L23-L71 HydrophobicContact CD1-CD2 3.75Å; L23-L71 HydrophobicContact CD1-CG 3.99Å; P26-L71 HydrophobicContact CB-CB 4.32Å; P26-L71 HydrophobicContact CB-CD2 4Å; P26-L71 HydrophobicContact CB-CG 4.15Å; P26-L71 HydrophobicContact CG-CB 4.14Å; P26-L71 HydrophobicContact CG-CG 4.25Å; N34-L71 HydrophobicContact CB-CD2 3.56Å; N34-L71 WeakPolarHBondContact OD1-CD2 3.38Å; N68-L71 HydrophobicContact CB-CB 4.07Å; N68-L71 VanDerWaalsContact CG-CB 3.41Å; N68-L71 PolarHBondContact O-N 2.81Å; N68-L71 VanDerWaalsContact O-N 3.14Å; N68-L71 VanDerWaalsContact OD1-CB 3.31Å; N68-L71 WeakPolarHBondContact OD1-CB 3.38Å; N68-L71 PolarHBondContact OD1-N 3.37Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.43Å; L71-L74 PolarHBondContact O-N 2.94Å; L71-T75 VanDerWaalsContact O-CB 3.3Å; L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 PolarHBondContact O-N 2.98Å; L71-T75 PolarHBondContact O-OG1 3.45Å
72G93.9Very high90.8Very high17 Ų1773.9 Ų73.918%0.17538%0.384CS..Hα-helixtrans-60.2-44.7172.600000112.3P26 N68 P69 Q70 T75 E76P26-G72 VanDerWaalsContact CG-CA 3.44Å; N68-G72 PolarHBondContact O-N 3.23Å; N68-G72 VanDerWaalsContact O-N 3.12Å; P69-G72 PolarHBondContact O-N 3.32Å; Q70-G72 VanDerWaalsContact C-N 3.26Å; Q70-G72 PolarHBondContact O-N 2.79Å; G72-T75 WeakPolarHBondContact O-CB 3.37Å; G72-T75 PolarHBondContact O-N 3.37Å; G72-E76 PolarHBondContact O-N 3.35Å
73S94.7Very high90Very high84 Ų8472.7 Ų72.759%0.58738%0.38SS*.Hα-helixtrans-63.7-42.9176.5-57.20000112.2P69 Q70 L71 T75 E76 L77P69-S73 PolarHBondContact O-N 3.49Å; P69-S73 PolarHBondContact O-OG 3.01Å; Q70-S73 WeakPolarHBondContact O-CB 3.36Å; Q70-S73 PolarHBondContact O-N 2.87Å; Q70-S73 VanDerWaalsContact O-N 3.16Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.43Å; S73-T75 VanDerWaalsContact C-N 3.34Å; S73-E76 PolarHBondContact O-N 2.98Å; S73-L77 PolarHBondContact O-N 3.16Å
74L92.8Very high88.9Confident108 Ų10875.1 Ų75.157%0.56539%0.389SS*.Hα-helixtrans-64.7-38.1176-70.9173.9000112.2Q70 L71 L77 A78Q70-L74 WeakPolarHBondContact O-CG 3.31Å; Q70-L74 PolarHBondContact O-N 3.3Å; L71-L74 PolarHBondContact O-N 2.94Å; L74-L77 PolarHBondContact O-N 3.31Å; L74-A78 WeakPolarHBondContact O-CB 3.28Å; L74-A78 PolarHBondContact O-N 3.5Å
75T93.1Very high87.5Confident0 Ų070.4 Ų70.40%037%0.372CS..Hα-helixtrans-62.6-44.7177-61.40000111.1A14 Y22 L23 L71 G72 S73 A78 K79A14-T75 HydrophobicContact CB-CG2 4.28Å; Y22-T75 HydrophobicContact CD1-CG2 3.72Å; Y22-T75 HydrophobicContact CG-CG2 4.13Å; L23-T75 HydrophobicContact CB-CG2 4.13Å; L71-T75 VanDerWaalsContact O-CB 3.3Å; L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 PolarHBondContact O-N 2.98Å; L71-T75 PolarHBondContact O-OG1 3.45Å; G72-T75 WeakPolarHBondContact O-CB 3.37Å; G72-T75 PolarHBondContact O-N 3.37Å; S73-T75 VanDerWaalsContact C-N 3.34Å; T75-A78 PolarHBondContact O-N 3.03Å; T75-K79 WeakPolarHBondContact O-CB 3.33Å; T75-K79 PolarHBondContact O-N 2.67Å
76E92.9Very high85.6Confident85 Ų8573.2 Ų73.240%0.39739%0.385SS..Hα-helixtrans-65.6-37.5175.3-79.4-61.913600112.2G72 S73 K79 Q80G72-E76 PolarHBondContact O-N 3.35Å; S73-E76 PolarHBondContact O-N 2.98Å; E76-K79 PolarHBondContact O-N 3.21Å; E76-K79 IonicContact OE1-NZ 3.94Å; E76-K79 PolarHBondContact OE1-NZ 3.5Å; E76-K79 IonicContact OE2-NZ 3.56Å; E76-Q80 WeakPolarHBondContact O-CG 3.31Å; E76-Q80 PolarHBondContact O-N 3.25Å
77L89.9Confident83.5Confident87 Ų8776.7 Ų76.746%0.45539%0.386SS..Hα-helixtrans-62.3-45.9172.5-17863.1000111.7S73 L74 K79 Q80 L81S73-L77 PolarHBondContact O-N 3.16Å; L74-L77 PolarHBondContact O-N 3.31Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 2.74Å; L77-Q80 PolarHBondContact O-N 3.24Å; L77-L81 HydrophobicContact CD1-CG 4.48Å; L77-L81 HydrophobicContact CG-CD1 4.22Å; L77-L81 WeakPolarHBondContact O-CG 3.5Å; L77-L81 PolarHBondContact O-N 2.78Å
78A90.5Very high81.2Confident1 Ų181.2 Ų81.21%0.00839%0.394CS..Hα-helixtrans-59.3-41.5177.100000111.9L10 A14 Y22 L74 T75 L81 Q82L10-A78 HydrophobicContact CD1-CB 4.36Å; L10-A78 HydrophobicContact CD2-CB 4.07Å; L10-A78 HydrophobicContact CG-CB 3.9Å; A14-A78 HydrophobicContact CB-CB 3.99Å; Y22-A78 HydrophobicContact CE1-CB 4.35Å; L74-A78 WeakPolarHBondContact O-CB 3.28Å; L74-A78 PolarHBondContact O-N 3.5Å; T75-A78 PolarHBondContact O-N 3.03Å; A78-L81 PolarHBondContact O-N 3.35Å; A78-Q82 PolarHBondContact O-N 3.07Å; A78-Q82 VanDerWaalsContact O-N 3.1Å
79K89.4Confident78.9Confident73 Ų7388 Ų8832%0.31742%0.417SS..Hα-helixtrans-62.8-44.4174.3-176.5178.6169.9-167.60112.1Y22 T75 E76 L77 Q82 I83Y22-K79 HydrophobicContact CD1-CB 4.39Å; Y22-K79 HydrophobicContact CD2-CB 4.35Å; Y22-K79 HydrophobicContact CD2-CD 4.21Å; Y22-K79 HydrophobicContact CD2-CG 4.18Å; Y22-K79 HydrophobicContact CE1-CB 4.07Å; Y22-K79 HydrophobicContact CE2-CB 4.04Å; Y22-K79 HydrophobicContact CE2-CD 4.45Å; Y22-K79 HydrophobicContact CE2-CG 3.92Å; Y22-K79 HydrophobicContact CG-CB 4.49Å; T75-K79 WeakPolarHBondContact O-CB 3.33Å; T75-K79 PolarHBondContact O-N 2.67Å; E76-K79 PolarHBondContact O-N 3.21Å; E76-K79 IonicContact OE1-NZ 3.94Å; E76-K79 PolarHBondContact OE1-NZ 3.5Å; E76-K79 IonicContact OE2-NZ 3.56Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 2.74Å; K79-Q82 PolarHBondContact O-N 2.75Å; K79-I83 HydrophobicContact CG-CD1 4.3Å; K79-I83 WeakPolarHBondContact O-CG1 3.48Å; K79-I83 PolarHBondContact O-N 3.5Å
80Q86.8Confident76.6Confident92 Ų9289.7 Ų89.743%0.4342%0.417SS..Hα-helixtrans-63.8-40.5175.5-72.7-178.4700112.7E76 L77 Q82 I83 R84E76-Q80 WeakPolarHBondContact O-CG 3.31Å; E76-Q80 PolarHBondContact O-N 3.25Å; L77-Q80 PolarHBondContact O-N 3.24Å; Q80-Q82 VanDerWaalsContact C-N 3.3Å; Q80-Q82 PolarHBondContact O-N 2.97Å; Q80-I83 PolarHBondContact O-N 2.91Å; Q80-R84 WeakPolarHBondContact O-CG 3.44Å; Q80-R84 PolarHBondContact O-N 3.2Å
81L83.8Confident74.5Confident65 Ų6590.4 Ų90.434%0.3442%0.42SS..Hα-helixtrans-62.8-37176.8-71.6172.1000111.8L7 L10 L77 A78 S85L7-L81 HydrophobicContact CD2-CB 4.44Å; L10-L81 HydrophobicContact CD2-CD1 4.1Å; L77-L81 HydrophobicContact CD1-CG 4.48Å; L77-L81 HydrophobicContact CG-CD1 4.22Å; L77-L81 WeakPolarHBondContact O-CG 3.5Å; L77-L81 PolarHBondContact O-N 2.78Å; A78-L81 PolarHBondContact O-N 3.35Å; L81-S85 WeakPolarHBondContact O-CB 3.35Å; L81-S85 PolarHBondContact O-N 2.91Å; L81-S85 PolarHBondContact O-OG 3.42Å
82Q74.7Confident72.6Confident21 Ų2196.3 Ų96.310%0.09845%0.447CS..Hα-helixtrans-70.7-35.5172.8-73.5-17143.700113.7Y22 A78 K79 Q80 S85 K86Y22-Q82 PolarHBondContact OH-NE2 2.9Å; Y22-Q82 PolarHBondContact OH-OE1 2.96Å; A78-Q82 PolarHBondContact O-N 3.07Å; A78-Q82 VanDerWaalsContact O-N 3.1Å; K79-Q82 PolarHBondContact O-N 2.75Å; Q80-Q82 VanDerWaalsContact C-N 3.3Å; Q80-Q82 PolarHBondContact O-N 2.97Å; Q82-S85 WeakPolarHBondContact CA-OG 3.48Å; Q82-S85 PolarHBondContact O-OG 3.48Å; Q82-K86 WeakPolarHBondContact O-CB 3.33Å; Q82-K86 VanDerWaalsContact O-CG 3.31Å; Q82-K86 WeakPolarHBondContact O-CG 3.44Å; Q82-K86 PolarHBondContact O-N 3.31Å
83I66.9Low71.1Confident74 Ų74102.9 Ų102.938%0.37947%0.471SS..Hα-helixtrans-66.2-42.7173.5-66.6163.9000110.2K79 Q80 K86 R87K79-I83 HydrophobicContact CG-CD1 4.3Å; K79-I83 WeakPolarHBondContact O-CG1 3.48Å; K79-I83 PolarHBondContact O-N 3.5Å; Q80-I83 PolarHBondContact O-N 2.91Å; I83-K86 PolarHBondContact O-N 2.91Å; I83-R87 HydrophobicContact CG2-CG 4.48Å; I83-R87 WeakPolarHBondContact O-CB 3.35Å; I83-R87 WeakPolarHBondContact O-CG 3.46Å; I83-R87 PolarHBondContact O-N 2.94Å
84R63.1Low70.4Confident166 Ų166103.6 Ų103.663%0.62647%0.465SS*.Hα-helixtrans-64.7-39.9176.6-72.4179.7-178.2-177.42.3112Q80 R87 K88Q80-R84 WeakPolarHBondContact O-CG 3.44Å; Q80-R84 PolarHBondContact O-N 3.2Å; R84-R87 PolarHBondContact O-N 3.09Å; R84-K88 WeakPolarHBondContact O-CB 3.3Å; R84-K88 PolarHBondContact O-N 2.72Å
85S58.6Low70.2Confident27 Ų27101.8 Ų101.819%0.18946%0.458CS..Hα-helixtrans-71.1-34.5175.870.10000112.7L81 Q82 K88 R89L81-S85 WeakPolarHBondContact O-CB 3.35Å; L81-S85 PolarHBondContact O-N 2.91Å; L81-S85 PolarHBondContact O-OG 3.42Å; Q82-S85 WeakPolarHBondContact CA-OG 3.48Å; Q82-S85 PolarHBondContact O-OG 3.48Å; S85-K88 PolarHBondContact O-N 3.38Å; S85-R89 PolarHBondContact O-N 2.72Å
86K53.8Low70.1Confident127 Ų127102.5 Ų102.555%0.55246%0.463SS*.Hα-helixtrans-64.6-41.9168.9-77.5179.9-178.11790112Q82 I83 K88 R89 Q90Q82-K86 WeakPolarHBondContact O-CB 3.33Å; Q82-K86 VanDerWaalsContact O-CG 3.31Å; Q82-K86 WeakPolarHBondContact O-CG 3.44Å; Q82-K86 PolarHBondContact O-N 3.31Å; I83-K86 PolarHBondContact O-N 2.91Å; K86-K88 VanDerWaalsContact C-N 3.31Å; K86-K88 PolarHBondContact O-N 3.4Å; K86-R89 CarbonylContact O-C 3.57Å; K86-R89 PolarHBondContact O-N 3.32Å; K86-Q90 WeakPolarHBondContact O-CB 3.48Å; K86-Q90 PolarHBondContact O-N 2.88Å
87R51.2Low69.9Low178 Ų178108.7 Ų108.767%0.67249%0.488SS*.Hα-helixtrans-65.9-29.4172.3-73.3179.2-179.1-179.30.8112.9I83 R84 Q90I83-R87 HydrophobicContact CG2-CG 4.48Å; I83-R87 WeakPolarHBondContact O-CB 3.35Å; I83-R87 WeakPolarHBondContact O-CG 3.46Å; I83-R87 PolarHBondContact O-N 2.94Å; R84-R87 PolarHBondContact O-N 3.09Å; R87-Q90 CarbonylContact O-C 3.58Å
88K48.5Very low70Confident184 Ų184112.6 Ų112.680%0.850%0.502SS*.Hα-helixtrans-77.2-22.6173.1-136.5176.9-175.4-178.50113.1R84 S85 K86R84-K88 WeakPolarHBondContact O-CB 3.3Å; R84-K88 PolarHBondContact O-N 2.72Å; S85-K88 PolarHBondContact O-N 3.38Å; K86-K88 VanDerWaalsContact C-N 3.31Å; K86-K88 PolarHBondContact O-N 3.4Å
89R48.7Very low69.9Low183 Ų183115.6 Ų115.669%0.69152%0.515SS*.Hα-helixtrans-91-24.5171.7-75.1-179.7168.3-176.5-3.3113.3S85 K86S85-R89 PolarHBondContact O-N 2.72Å; K86-R89 CarbonylContact O-C 3.57Å; K86-R89 PolarHBondContact O-N 3.32Å
90Q45.9Very low69.8Low129 Ų129118.5 Ų118.560%0.60353%0.534SS*.SBendtrans-93.867.5162.8-70.7173.3-28.900107.5K86 R87 E92K86-Q90 WeakPolarHBondContact O-CB 3.48Å; K86-Q90 PolarHBondContact O-N 2.88Å; R87-Q90 CarbonylContact O-C 3.58Å; Q90-E92 PolarHBondContact O-N 3.45Å; Q90-E92 VanDerWaalsContact O-N 3.09Å
91E49.7Very low69.8Low169 Ų169117 Ų11779%0.7953%0.527SS*.  trans-42.7125.8148.2-86.8175.416000106.5K93E91-K93 PolarHBondContact O-N 3.39Å
92E56.1Low70.1Confident152 Ų152117.6 Ų117.671%0.7153%0.53SS*.  trans-38.8101.6-177.6-68174.2160.600109.4Q90 H94Q90-E92 PolarHBondContact O-N 3.45Å; Q90-E92 VanDerWaalsContact O-N 3.09Å; E92-H94 PolarHBondContact O-CD2 3.43Å; E92-H94 VanDerWaalsContact O-CD2 3.24Å; E92-H94 PolarHBondContact O-N 2.89Å; E92-H94 IonicContact OE2-CE1 3.5Å; E92-H94 PolarHBondContact OE2-CE1 2.98Å; E92-H94 VanDerWaalsContact OE2-CE1 3.25Å; E92-H94 IonicContact OE2-NE2 2.67Å; E92-H94 PolarHBondContact OE2-NE2 2.96Å
93K62.9Low70.9Confident155 Ų155118.5 Ų118.567%0.67454%0.536SS*.  trans-71.680.6175.3-83.2-173.3-175.6-177.40106E91 V95 L102E91-K93 PolarHBondContact O-N 3.39Å; K93-V95 PolarHBondContact O-N 3.41Å; K93-L102 HydrophobicContact CB-CD2 3.57Å; K93-L102 HydrophobicContact CD-CD1 4.46Å; K93-L102 HydrophobicContact CD-CD2 3.96Å; K93-L102 HydrophobicContact CG-CD2 3.99Å
94H78.6Confident72.2Confident99 Ų99117.7 Ų117.746%0.45854%0.535SS..  trans-59.2125178.4-63.5-72.4000107.9E92 L103E92-H94 PolarHBondContact O-CD2 3.43Å; E92-H94 VanDerWaalsContact O-CD2 3.24Å; E92-H94 PolarHBondContact O-N 2.89Å; E92-H94 IonicContact OE2-CE1 3.5Å; E92-H94 PolarHBondContact OE2-CE1 2.98Å; E92-H94 VanDerWaalsContact OE2-CE1 3.25Å; E92-H94 IonicContact OE2-NE2 2.67Å; E92-H94 PolarHBondContact OE2-NE2 2.96Å; H94-L103 HydrophobicContact CB-CB 4.41Å; H94-L103 HydrophobicContact CB-CD1 3.65Å; H94-L103 HydrophobicContact CB-CG 4.18Å; H94-L103 WeakPolarHBondContact O-CG 3.48Å; H94-L103 PolarHBondContact O-N 3.34Å
95V88.9Confident73.7Confident71 Ų71112.2 Ų112.243%0.4352%0.515SS..BIsolated β-bridgetrans-104.6140.8177.5-69.80000109.2K93 K97 Q101 L102K93-V95 PolarHBondContact O-N 3.41Å; V95-K97 PolarHBondContact O-N 3.01Å; V95-Q101 CarbonylContact C-O 3.54Å; V95-Q101 WeakPolarHBondContact CA-O 3.41Å; V95-L102 HydrophobicContact CG1-CD2 4.1Å
96C90.3Very high75.4Confident14 Ų14112.4 Ų112.410%0.09551%0.513CS..  trans-64.9123.2170.9177.70000109.4K98 H99 N100 Q101 L103 C115C96-K98 PolarHBondContact O-N 3.41Å; C96-H99 HydrophobicContact CB-CB 4.39Å; C96-H99 PolarHBondContact O-N 3.19Å; C96-N100 VanDerWaalsContact O-CA 3.29Å; C96-N100 WeakPolarHBondContact O-CA 3.37Å; C96-N100 PolarHBondContact O-N 3.37Å; C96-Q101 PolarHBondContact N-O 2.9Å; C96-L103 HydrophobicContact CB-CD2 3.71Å; C96-C115 HydrophobicContact CB-CB 3.68Å
97K90.4Very high77.3Confident216 Ų216106.4 Ų106.494%0.93949%0.487SS*.THydrogen-bonded Turntrans-59.7-31178.4-62.6-179.3-178.7177.70113.3V95V95-K97 PolarHBondContact O-N 3.01Å
98K91Very high79.3Confident169 Ų169100.8 Ų100.874%0.73547%0.468SS*.THydrogen-bonded Turntrans-80-38.2-178.4-62.6-178.1-179.9177.80113C96C96-K98 PolarHBondContact O-N 3.41Å
99H89.3Confident81.5Confident63 Ų6398.9 Ų98.929%0.29246%0.46SS..THydrogen-bonded Turntrans-114.5-6.2-169.4-59119.5000114.2C96 Q101 C115 C118C96-H99 HydrophobicContact CB-CB 4.39Å; C96-H99 PolarHBondContact O-N 3.19Å; H99-Q101 HydrophobicContact CB-CB 4.43Å; H99-Q101 HydrophobicContact CB-CG 4.4Å; H99-Q101 PolarHBondContact O-N 3Å; H99-Q101 VanDerWaalsContact O-N 3.13Å; H99-C115 PolarHBondContact ND1-SG 2.83Å; H99-C118 PolarHBondContact CE1-SG 3.47Å; H99-C118 PolarHBondContact ND1-SG 3.38Å
100N87Confident83.6Confident134 Ų13493 Ų9372%0.71744%0.442SS*.  trans50.633.7-174.7-158.434.1000113.7C96C96-N100 VanDerWaalsContact O-CA 3.29Å; C96-N100 WeakPolarHBondContact O-CA 3.37Å; C96-N100 PolarHBondContact O-N 3.37Å
101Q86.3Confident85.9Confident61 Ų6192.7 Ų92.729%0.28544%0.444SS..  trans-112.9150.1179.6-75.2-178.1-28.300110.3V95 C96 H99 L103 C115V95-Q101 CarbonylContact C-O 3.54Å; V95-Q101 WeakPolarHBondContact CA-O 3.41Å; C96-Q101 PolarHBondContact N-O 2.9Å; H99-Q101 HydrophobicContact CB-CB 4.43Å; H99-Q101 HydrophobicContact CB-CG 4.4Å; H99-Q101 PolarHBondContact O-N 3Å; H99-Q101 VanDerWaalsContact O-N 3.13Å; Q101-L103 PolarHBondContact O-N 3.31Å; Q101-C115 HydrophobicContact CB-CB 3.8Å
102L89.8Confident88Confident77 Ų7789.8 Ų89.840%0.40343%0.43SS..BIsolated β-bridgetrans-57.9137.9176.1-64.9175.5000111.4K93 V95 T104 C115K93-L102 HydrophobicContact CB-CD2 3.57Å; K93-L102 HydrophobicContact CD-CD1 4.46Å; K93-L102 HydrophobicContact CD-CD2 3.96Å; K93-L102 HydrophobicContact CG-CD2 3.99Å; V95-L102 HydrophobicContact CG1-CD2 4.1Å; L102-T104 HydrophobicContact CB-CG2 4.03Å; L102-T104 PolarHBondContact O-N 2.88Å; L102-C115 WeakPolarHBondContact O-CA 3.39Å; L102-C115 WeakPolarHBondContact O-CB 2.85Å
103L92.8Very high89.7Confident40 Ų4086.1 Ų86.121%0.20942%0.415CS..  trans-77.9109.2169.9-57.7-179000108.5H94 C96 Q101 L113 L114 C115 I132H94-L103 HydrophobicContact CB-CB 4.41Å; H94-L103 HydrophobicContact CB-CD1 3.65Å; H94-L103 HydrophobicContact CB-CG 4.18Å; H94-L103 WeakPolarHBondContact O-CG 3.48Å; H94-L103 PolarHBondContact O-N 3.34Å; C96-L103 HydrophobicContact CB-CD2 3.71Å; Q101-L103 PolarHBondContact O-N 3.31Å; L103-L113 HydrophobicContact CB-CB 4.03Å; L103-L113 HydrophobicContact CD1-CB 3.81Å; L103-L113 HydrophobicContact CG-CB 4.43Å; L103-L114 CarbonylContact C-O 3.6Å; L103-L114 WeakPolarHBondContact CA-O 3.46Å; L103-C115 HydrophobicContact CD2-CB 4.07Å; L103-C115 VanDerWaalsContact CD2-N 3.34Å; L103-I132 VanDerWaalsContact O-CD1 3.24Å; L103-I132 WeakPolarHBondContact O-CD1 3.5Å
104T93.5Very high91.2Very high58 Ų5879 Ų7936%0.35638%0.384SS..  trans-121.6-7.1-175.255.90000113.3L102 L114 I132L102-T104 HydrophobicContact CB-CG2 4.03Å; L102-T104 PolarHBondContact O-N 2.88Å; T104-L114 PolarHBondContact N-O 3.14Å; T104-I132 WeakPolarHBondContact O-CG1 3.48Å; T104-I132 PolarHBondContact O-N 3.5Å
105F93.9Very high91.9Very high50 Ų5074.2 Ų74.222%0.21936%0.362CS..EExtended strand (participates in β ladder)trans-119.8158-178.4-64.8-84.2000111.3L113 L114 P116 V129 W130 P131F105-L113 CarbonylContact O-C 3.52Å; F105-L113 WeakPolarHBondContact O-CA 3.44Å; F105-L114 HydrophobicContact CB-CB 4.18Å; F105-L114 PolarHBondContact N-O 3.43Å; F105-L114 PolarHBondContact O-N 3.06Å; F105-P116 HydrophobicContact CE2-CB 4.19Å; F105-P116 HydrophobicContact CE2-CG 4.06Å; F105-V129 HydrophobicContact CB-CG1 3.71Å; F105-V129 HydrophobicContact CD1-CG1 4.15Å; F105-V129 HydrophobicContact CG-CG1 4.24Å; F105-W130 CarbonylContact C-O 3.5Å; F105-W130 WeakPolarHBondContact CA-O 3.36Å; F105-P131 HydrophobicContact CD1-CG 4.44Å; F105-P131 HydrophobicContact CE1-CG 4.18Å
106F94.9Very high92.1Very high32 Ų3273.1 Ų73.114%0.1436%0.357CS..EExtended strand (participates in β ladder)trans-128.8130.6176.4173.1-99.1000109.3L111 E112 L113 V129 W130 I132 A135 H139F106-L111 HydrophobicContact CZ-CD2 3.86Å; F106-E112 WeakPolarHBondContact CA-O 3.31Å; F106-L113 HydrophobicContact CB-CD2 4.26Å; F106-L113 HydrophobicContact CD2-CD2 4.08Å; F106-V129 WeakPolarHBondContact O-CA 3.23Å; F106-W130 PolarHBondContact N-O 3.01Å; F106-W130 PolarHBondContact O-N 3.2Å; F106-I132 HydrophobicContact CB-CG1 4.45Å; F106-A135 HydrophobicContact CB-CB 3.9Å; F106-A135 HydrophobicContact CD1-CB 3.64Å; F106-A135 HydrophobicContact CG-CB 4.03Å; F106-H139 AromaticContact CE1-NE2 3.65Å
107C94.6Very high92.1Very high0 Ų080 Ų800%038%0.38CS..EExtended strand (participates in β ladder)trans-95.2121.1175.9-1770000110.6K109 D110 L111 E112 L114 H127 V129C107-K109 PolarHBondContact O-N 3.2Å; C107-D110 PolarHBondContact SG-OD2 3.17Å; C107-L111 VanDerWaalsContact O-CA 3.28Å; C107-L111 WeakPolarHBondContact O-CA 3.36Å; C107-L111 PolarHBondContact O-N 2.84Å; C107-E112 PolarHBondContact N-O 3.01Å; C107-L114 HydrophobicContact CB-CD1 3.86Å; C107-L114 HydrophobicContact CB-CG 4.32Å; C107-H127 VanDerWaalsContact SG-CB 3.53Å; C107-V129 HydrophobicContact CB-CG2 4.21Å
108Q93Very high92.2Very high61 Ų6170.5 Ų70.529%0.28534%0.341SS..THydrogen-bonded Turntrans-69.4-31.8-176-175.258.145.200113.7L111 C128 H139Q108-L111 WeakPolarHBondContact O-CD2 3.34Å; Q108-C128 HydrophobicContact CB-CB 4.02Å; Q108-C128 WeakPolarHBondContact CB-O 3.33Å; Q108-C128 PolarHBondContact N-O 2.97Å; Q108-H139 PolarHBondContact NE2-CE1 3.15Å; Q108-H139 PolarHBondContact OE1-CE1 3.45Å; Q108-H139 PolarHBondContact OE1-NE2 3.41Å
109K93.1Very high92.2Very high143 Ų14363 Ų6362%0.62231%0.31SS*.THydrogen-bonded Turntrans-79.7-45.5-176179.5169.7158.1-160.10111.7C107 H127C107-K109 PolarHBondContact O-N 3.2Å; K109-H127 HydrophobicContact CB-CB 4.41Å; K109-H127 WeakPolarHBondContact CD-NE2 3.43Å; K109-H127 WeakPolarHBondContact CE-NE2 3.34Å; K109-H127 PolarHBondContact NZ-NE2 2.84Å
110D93.7Very high92Very high60 Ų6068 Ų6832%0.32133%0.331SS..THydrogen-bonded Turntrans-91.8-12.3-175.5-46-48.8000112.6C107 E112 H124 H127C107-D110 PolarHBondContact SG-OD2 3.17Å; D110-E112 HydrophobicContact CB-CG 4.14Å; D110-E112 PolarHBondContact O-N 3.48Å; D110-H124 IonicContact OD2-CE1 3.13Å; D110-H124 PolarHBondContact OD2-CE1 3.24Å; D110-H124 IonicContact OD2-ND1 2.83Å; D110-H124 PolarHBondContact OD2-ND1 2.92Å; D110-H127 IonicContact OD1-CE1 3.31Å; D110-H127 PolarHBondContact OD1-CE1 3.39Å; D110-H127 VanDerWaalsContact OD1-CE1 3.31Å; D110-H127 IonicContact OD1-ND1 3.52Å; D110-H127 IonicContact OD2-CE1 3.21Å; D110-H127 PolarHBondContact OD2-CE1 3.2Å; D110-H127 IonicContact OD2-CG 3.63Å; D110-H127 IonicContact OD2-ND1 2.71Å; D110-H127 PolarHBondContact OD2-ND1 3.18Å
111L93.6Very high92.2Very high122 Ų12263 Ų6364%0.63931%0.307SS*.  trans60.929.9-176.8-52.5177000113.7F106 C107 Q108F106-L111 HydrophobicContact CZ-CD2 3.86Å; C107-L111 VanDerWaalsContact O-CA 3.28Å; C107-L111 WeakPolarHBondContact O-CA 3.36Å; C107-L111 PolarHBondContact O-N 2.84Å; Q108-L111 WeakPolarHBondContact O-CD2 3.34Å
112E93.5Very high92.3Very high109 Ų10965.4 Ų65.451%0.50933%0.326SS..  trans-108.6153.9-177.2-62.5-167.7151.300113.3F106 C107 D110 L114F106-E112 WeakPolarHBondContact CA-O 3.31Å; C107-E112 PolarHBondContact N-O 3.01Å; D110-E112 HydrophobicContact CB-CG 4.14Å; D110-E112 PolarHBondContact O-N 3.48Å; E112-L114 HydrophobicContact CB-CD2 4.36Å
113L93.7Very high92.2Very high74 Ų7466.7 Ų66.739%0.38733%0.333SS..EExtended strand (participates in β ladder)trans-89.3130.1170.4-64.5-179.4000110.5L103 F105 F106 I132L103-L113 HydrophobicContact CB-CB 4.03Å; L103-L113 HydrophobicContact CD1-CB 3.81Å; L103-L113 HydrophobicContact CG-CB 4.43Å; F105-L113 CarbonylContact O-C 3.52Å; F105-L113 WeakPolarHBondContact O-CA 3.44Å; F106-L113 HydrophobicContact CB-CD2 4.26Å; F106-L113 HydrophobicContact CD2-CD2 4.08Å; L113-I132 HydrophobicContact CD2-CD1 3.75Å; L113-I132 HydrophobicContact CD2-CG1 3.77Å
114L94.2Very high92Very high5 Ų565.6 Ų65.63%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-118.6144.6-174.3-54.1-178000111.5L103 T104 F105 C107 E112 C118 H124 V129L103-L114 CarbonylContact C-O 3.6Å; L103-L114 WeakPolarHBondContact CA-O 3.46Å; T104-L114 PolarHBondContact N-O 3.14Å; F105-L114 HydrophobicContact CB-CB 4.18Å; F105-L114 PolarHBondContact N-O 3.43Å; F105-L114 PolarHBondContact O-N 3.06Å; C107-L114 HydrophobicContact CB-CD1 3.86Å; C107-L114 HydrophobicContact CB-CG 4.32Å; E112-L114 HydrophobicContact CB-CD2 4.36Å; L114-C118 HydrophobicContact CB-CB 4.03Å; L114-C118 HydrophobicContact CD2-CB 4.06Å; L114-C118 HydrophobicContact CG-CB 4.49Å; L114-H124 HydrophobicContact CD1-CB 4.18Å; L114-H124 WeakPolarHBondContact CD2-NE2 3.35Å; L114-V129 HydrophobicContact CD1-CG1 4.37Å; L114-V129 HydrophobicContact CD1-CG2 4.19Å
115C93.5Very high91.5Very high0 Ų068.8 Ų68.80%034%0.338CS..  trans-80.6166.4163.372.10000110.4C96 H99 Q101 L102 L103 R117 C118 S119C96-C115 HydrophobicContact CB-CB 3.68Å; H99-C115 PolarHBondContact ND1-SG 2.83Å; Q101-C115 HydrophobicContact CB-CB 3.8Å; L102-C115 WeakPolarHBondContact O-CA 3.39Å; L102-C115 WeakPolarHBondContact O-CB 2.85Å; L103-C115 HydrophobicContact CD2-CB 4.07Å; L103-C115 VanDerWaalsContact CD2-N 3.34Å; C115-R117 PolarHBondContact O-N 3.15Å; C115-R117 VanDerWaalsContact O-N 3.13Å; C115-C118 PolarHBondContact O-N 3.08Å; C115-C118 VanDerWaalsContact O-N 3.09Å; C115-C118 PolarHBondContact SG-N 2.78Å; C115-S119 PolarHBondContact O-N 3.42Å
116P91.4Very high91Very high48 Ų4874.2 Ų74.231%0.31236%0.364SS..THydrogen-bonded Turntrans-54.4-33.7179.2-25.432.8000114.1F105 S119 F120F105-P116 HydrophobicContact CE2-CB 4.19Å; F105-P116 HydrophobicContact CE2-CG 4.06Å; P116-S119 WeakPolarHBondContact CA-OG 3.48Å; P116-S119 PolarHBondContact O-OG 2.96Å; P116-F120 WeakPolarHBondContact O-CD2 3.35Å
117R91.6Very high90.9Very high157 Ų15774.5 Ų74.559%0.59237%0.365SS*.THydrogen-bonded Turntrans-72.5-43.1176.7-73.9-178.7-178.3-1653.1112.9C115 S119 F120 S121C115-R117 PolarHBondContact O-N 3.15Å; C115-R117 VanDerWaalsContact O-N 3.13Å; R117-S119 VanDerWaalsContact C-N 3.3Å; R117-S119 PolarHBondContact O-N 3.28Å; R117-F120 PolarHBondContact O-N 3.32Å; R117-S121 PolarHBondContact O-N 3.01Å
118C92.6Very high90.7Very high18 Ų1878.2 Ų78.212%0.12239%0.39CS..G310 helixtrans-66-32.3176.9-69.60000112H99 L114 C115 F120 S121 H124H99-C118 PolarHBondContact CE1-SG 3.47Å; H99-C118 PolarHBondContact ND1-SG 3.38Å; L114-C118 HydrophobicContact CB-CB 4.03Å; L114-C118 HydrophobicContact CD2-CB 4.06Å; L114-C118 HydrophobicContact CG-CB 4.49Å; C115-C118 PolarHBondContact O-N 3.08Å; C115-C118 VanDerWaalsContact O-N 3.09Å; C115-C118 PolarHBondContact SG-N 2.78Å; C118-F120 PolarHBondContact O-N 2.87Å; C118-F120 VanDerWaalsContact O-N 3.16Å; C118-S121 PolarHBondContact O-N 3.2Å; C118-S121 VanDerWaalsContact O-N 3.14Å; C118-S121 PolarHBondContact O-OG 3.31Å; C118-H124 PolarHBondContact O-CD2 2.85Å; C118-H124 VanDerWaalsContact O-CD2 3.29Å
119S90.6Very high90.7Very high11 Ų1177 Ų778%0.07739%0.387CS..G310 helixtrans-65.2-17.9178.557.60000114.2C115 P116 R117C115-S119 PolarHBondContact O-N 3.42Å; P116-S119 WeakPolarHBondContact CA-OG 3.48Å; P116-S119 PolarHBondContact O-OG 2.96Å; R117-S119 VanDerWaalsContact C-N 3.3Å; R117-S119 PolarHBondContact O-N 3.28Å
120F85.3Confident90.6Very high168 Ų16873.5 Ų73.574%0.73737%0.37SS*.G310 helixtrans-113.511.5175.8-57.9-72.7000112.7P116 R117 C118P116-F120 WeakPolarHBondContact O-CD2 3.35Å; R117-F120 PolarHBondContact O-N 3.32Å; C118-F120 PolarHBondContact O-N 2.87Å; C118-F120 VanDerWaalsContact O-N 3.16Å
121S89.8Confident90.6Very high28 Ų2873.7 Ų73.720%0.19637%0.374CS..SBendtrans-70.9158.4174.669.30000110.7R117 C118 D123 H124 Q125R117-S121 PolarHBondContact O-N 3.01Å; C118-S121 PolarHBondContact O-N 3.2Å; C118-S121 VanDerWaalsContact O-N 3.14Å; C118-S121 PolarHBondContact O-OG 3.31Å; S121-D123 PolarHBondContact O-N 2.99Å; S121-H124 CarbonylContact O-C 3.57Å; S121-H124 PolarHBondContact O-N 3.31Å; S121-Q125 PolarHBondContact O-N 3.02Å
122T88.8Confident90.5Very high113 Ų11370.6 Ų70.669%0.69336%0.358SS*.G310 helixtrans-54.2-32.9172.847.40000112.1H124 Q125T122-H124 PolarHBondContact O-N 3.42Å; T122-Q125 PolarHBondContact O-N 2.95Å
123D88.6Confident90.2Very high103 Ų10374.2 Ų74.255%0.55137%0.372SS*.G310 helixtrans-62.6-26.2179.2-52.8-25.2000113S121S121-D123 PolarHBondContact O-N 2.99Å
124H89Confident90.1Very high18 Ų1877.3 Ų77.38%0.08338%0.382CS..G310 helixtrans-1259.6-178.1-55.9-71.7000113.9D110 L114 C118 S121 T122 H126 H127 V129D110-H124 IonicContact OD2-CE1 3.13Å; D110-H124 PolarHBondContact OD2-CE1 3.24Å; D110-H124 IonicContact OD2-ND1 2.83Å; D110-H124 PolarHBondContact OD2-ND1 2.92Å; L114-H124 HydrophobicContact CD1-CB 4.18Å; L114-H124 WeakPolarHBondContact CD2-NE2 3.35Å; C118-H124 PolarHBondContact O-CD2 2.85Å; C118-H124 VanDerWaalsContact O-CD2 3.29Å; S121-H124 CarbonylContact O-C 3.57Å; S121-H124 PolarHBondContact O-N 3.31Å; T122-H124 PolarHBondContact O-N 3.42Å; H124-H126 PolarHBondContact O-N 3.18Å; H124-H127 AromaticContact ND1-ND1 3.77Å; H124-H127 PolarHBondContact O-N 3.01Å; H124-V129 HydrophobicContact CB-CG2 4.47Å
125Q81.4Confident90Very high125 Ų12577.2 Ų77.258%0.58438%0.382SS*.THydrogen-bonded Turntrans-56.3-27.5-172.1-176.1175.110.100114.2S121 T122S121-Q125 PolarHBondContact O-N 3.02Å; T122-Q125 PolarHBondContact O-N 2.95Å
126H84.8Confident89.9Confident164 Ų16478.7 Ų78.776%0.75939%0.394SS*.THydrogen-bonded Turntrans-117.813.7-178.5-59-58.6000113.5H124H124-H126 PolarHBondContact O-N 3.18Å
127H92.8Very high90Very high37 Ų3779.8 Ų79.817%0.17140%0.403CS..SBendtrans-93.8150.5179.3-64-175.1000110.5C107 K109 D110 H124 V129C107-H127 VanDerWaalsContact SG-CB 3.53Å; K109-H127 HydrophobicContact CB-CB 4.41Å; K109-H127 WeakPolarHBondContact CD-NE2 3.43Å; K109-H127 WeakPolarHBondContact CE-NE2 3.34Å; K109-H127 PolarHBondContact NZ-NE2 2.84Å; D110-H127 IonicContact OD1-CE1 3.31Å; D110-H127 PolarHBondContact OD1-CE1 3.39Å; D110-H127 VanDerWaalsContact OD1-CE1 3.31Å; D110-H127 IonicContact OD1-ND1 3.52Å; D110-H127 IonicContact OD2-CE1 3.21Å; D110-H127 PolarHBondContact OD2-CE1 3.2Å; D110-H127 IonicContact OD2-CG 3.63Å; D110-H127 IonicContact OD2-ND1 2.71Å; D110-H127 PolarHBondContact OD2-ND1 3.18Å; H124-H127 AromaticContact ND1-ND1 3.77Å; H124-H127 PolarHBondContact O-N 3.01Å; H127-V129 HydrophobicContact CB-CG2 4.4Å; H127-V129 PolarHBondContact O-N 3.14Å
128C89.9Confident90Very high78 Ų7877.5 Ų77.553%0.52740%0.395SS..  trans-71.4103.2171-71.10000109.3Q108Q108-C128 HydrophobicContact CB-CB 4.02Å; Q108-C128 WeakPolarHBondContact CB-O 3.33Å; Q108-C128 PolarHBondContact N-O 2.97Å
129V93.2Very high90.1Very high35 Ų3579 Ų7921%0.21240%0.4CS..EExtended strand (participates in β ladder)trans-111.4129.6178.8-179.60000110F105 F106 C107 L114 H124 H127F105-V129 HydrophobicContact CB-CG1 3.71Å; F105-V129 HydrophobicContact CD1-CG1 4.15Å; F105-V129 HydrophobicContact CG-CG1 4.24Å; F106-V129 WeakPolarHBondContact O-CA 3.23Å; C107-V129 HydrophobicContact CB-CG2 4.21Å; L114-V129 HydrophobicContact CD1-CG1 4.37Å; L114-V129 HydrophobicContact CD1-CG2 4.19Å; H124-V129 HydrophobicContact CB-CG2 4.47Å; H127-V129 HydrophobicContact CB-CG2 4.4Å; H127-V129 PolarHBondContact O-N 3.14Å
130W89.8Confident90.3Very high70 Ų7085.1 Ų85.127%0.26542%0.422SS..EExtended strand (participates in β ladder)trans-128.9153.9-179.8-61.7-34000112.1F105 F106 I132 A135 Y138F105-W130 CarbonylContact C-O 3.5Å; F105-W130 WeakPolarHBondContact CA-O 3.36Å; F106-W130 PolarHBondContact N-O 3.01Å; F106-W130 PolarHBondContact O-N 3.2Å; W130-I132 PolarHBondContact O-N 3.29Å; W130-A135 HydrophobicContact CB-CB 4.29Å; W130-A135 HydrophobicContact CE3-CB 4.17Å; W130-Y138 HydrophobicContact CZ3-CD1 4.02Å; W130-Y138 HydrophobicContact CZ3-CE1 4.4Å; W130-Y138 HydrophobicContact CZ3-CG 4.45Å
131P93.5Very high90.8Very high64 Ų6483.2 Ų83.242%0.41641%0.413SS..EExtended strand (participates in β ladder)trans-55.3138.2165.7-23.934.1000110.7F105 K133 K134 A135F105-P131 HydrophobicContact CD1-CG 4.44Å; F105-P131 HydrophobicContact CE1-CG 4.18Å; P131-K133 PolarHBondContact O-N 3.1Å; P131-K133 VanDerWaalsContact O-N 3.12Å; P131-K134 WeakPolarHBondContact O-CB 3.42Å; P131-K134 PolarHBondContact O-N 2.93Å; P131-A135 PolarHBondContact O-N 3.18Å
132I92.5Very high91Very high58 Ų5885.1 Ų85.130%0.29742%0.418SS..Hα-helixtrans-51.1-43.4-175-70166.8000111.8L103 T104 F106 L113 W130 K134 A135 A136L103-I132 VanDerWaalsContact O-CD1 3.24Å; L103-I132 WeakPolarHBondContact O-CD1 3.5Å; T104-I132 WeakPolarHBondContact O-CG1 3.48Å; T104-I132 PolarHBondContact O-N 3.5Å; F106-I132 HydrophobicContact CB-CG1 4.45Å; L113-I132 HydrophobicContact CD2-CD1 3.75Å; L113-I132 HydrophobicContact CD2-CG1 3.77Å; W130-I132 PolarHBondContact O-N 3.29Å; I132-K134 VanDerWaalsContact C-N 3.29Å; I132-K134 PolarHBondContact O-N 3.19Å; I132-A135 PolarHBondContact O-N 2.77Å; I132-A136 WeakPolarHBondContact O-CB 3.32Å; I132-A136 PolarHBondContact O-N 3.32Å
133K88.1Confident91.4Very high185 Ų18584.5 Ų84.580%0.80441%0.41SS*.Hα-helixtrans-57.5-42179.6-67.7-173.6177.6-177.50112.4P131 S137P131-K133 PolarHBondContact O-N 3.1Å; P131-K133 VanDerWaalsContact O-N 3.12Å; K133-S137 WeakPolarHBondContact O-CB 3.47Å; K133-S137 PolarHBondContact O-N 3.43Å; K133-S137 VanDerWaalsContact O-N 3.11Å
134K90.4Very high91.7Very high139 Ų13985.4 Ų85.460%0.60441%0.411SS*.Hα-helixtrans-71.7-46.6179.6-174.5175.6179.8179.60111P131 I132 A136 S137 Y138P131-K134 WeakPolarHBondContact O-CB 3.42Å; P131-K134 PolarHBondContact O-N 2.93Å; I132-K134 VanDerWaalsContact C-N 3.29Å; I132-K134 PolarHBondContact O-N 3.19Å; K134-A136 PolarHBondContact O-N 3.23Å; K134-S137 PolarHBondContact O-N 3.4Å; K134-Y138 PolarHBondContact O-N 2.9Å
135A91.7Very high92.1Very high3 Ų389.9 Ų89.93%0.02543%0.432CS..Hα-helixtrans-58.7-47176.700000111.7F106 W130 P131 I132 S137 Y138 H139F106-A135 HydrophobicContact CB-CB 3.9Å; F106-A135 HydrophobicContact CD1-CB 3.64Å; F106-A135 HydrophobicContact CG-CB 4.03Å; W130-A135 HydrophobicContact CB-CB 4.29Å; W130-A135 HydrophobicContact CE3-CB 4.17Å; P131-A135 PolarHBondContact O-N 3.18Å; I132-A135 PolarHBondContact O-N 2.77Å; A135-S137 PolarHBondContact O-N 2.74Å; A135-Y138 PolarHBondContact O-N 2.74Å; A135-H139 WeakPolarHBondContact O-CB 3.42Å; A135-H139 PolarHBondContact O-CD2 2.88Å; A135-H139 PolarHBondContact O-N 3.11Å
136A92.9Very high92.8Very high31 Ų3190.8 Ų90.826%0.25643%0.431SS..Hα-helixtrans-63.6-40.3179.700000112.1I132 K134 R140I132-A136 WeakPolarHBondContact O-CB 3.32Å; I132-A136 PolarHBondContact O-N 3.32Å; K134-A136 PolarHBondContact O-N 3.23Å; A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 VanDerWaalsContact O-CG 3.31Å; A136-R140 WeakPolarHBondContact O-CG 3.46Å; A136-R140 PolarHBondContact O-N 3.11Å
137S93.3Very high93.3Very high70 Ų7086.7 Ų86.749%0.4941%0.414SS..Hα-helixtrans-62.5-45.2174.7-169.10000112K133 K134 A135 K141K133-S137 WeakPolarHBondContact O-CB 3.47Å; K133-S137 PolarHBondContact O-N 3.43Å; K133-S137 VanDerWaalsContact O-N 3.11Å; K134-S137 PolarHBondContact O-N 3.4Å; A135-S137 PolarHBondContact O-N 2.74Å; S137-K141 PolarHBondContact O-N 3.05Å
138Y92Very high93.4Very high110 Ų11086.9 Ų86.943%0.43142%0.423SS..Hα-helixtrans-63.1-48.8179173.3-95.4000111.6W130 K134 A135 K141 K142W130-Y138 HydrophobicContact CZ3-CD1 4.02Å; W130-Y138 HydrophobicContact CZ3-CE1 4.4Å; W130-Y138 HydrophobicContact CZ3-CG 4.45Å; K134-Y138 PolarHBondContact O-N 2.9Å; A135-Y138 PolarHBondContact O-N 2.74Å; Y138-K141 PolarHBondContact O-N 3.18Å; Y138-K142 HydrophobicContact CE1-CD 4.04Å; Y138-K142 WeakPolarHBondContact O-CB 3.47Å; Y138-K142 PolarHBondContact O-N 3.15Å
139H93.3Very high93.7Very high49 Ų4986.1 Ų86.123%0.22742%0.417CS..Hα-helixtrans-68.4-37.1-178.3-73.8-52.7000113.2F106 Q108 A135 K142 L143F106-H139 AromaticContact CE1-NE2 3.65Å; Q108-H139 PolarHBondContact NE2-CE1 3.15Å; Q108-H139 PolarHBondContact OE1-CE1 3.45Å; Q108-H139 PolarHBondContact OE1-NE2 3.41Å; A135-H139 WeakPolarHBondContact O-CB 3.42Å; A135-H139 PolarHBondContact O-CD2 2.88Å; A135-H139 PolarHBondContact O-N 3.11Å; H139-K142 PolarHBondContact O-N 2.93Å; H139-L143 WeakPolarHBondContact O-CB 3.2Å; H139-L143 VanDerWaalsContact O-CG 3.28Å; H139-L143 WeakPolarHBondContact O-CG 3.44Å; H139-L143 PolarHBondContact O-N 2.99Å
140R95.4Very high93.8Very high140 Ų14091.9 Ų91.953%0.52844%0.435SS..Hα-helixtrans-58.5-48.7172.5-80.6-170.2-64.5-92.20.3111.6A136 K142 L143 E144A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 VanDerWaalsContact O-CG 3.31Å; A136-R140 WeakPolarHBondContact O-CG 3.46Å; A136-R140 PolarHBondContact O-N 3.11Å; R140-K142 VanDerWaalsContact C-N 3.34Å; R140-K142 PolarHBondContact O-N 2.9Å; R140-L143 PolarHBondContact O-N 3.38Å; R140-E144 WeakPolarHBondContact O-CG 3.35Å; R140-E144 PolarHBondContact O-N 3.3Å
141K95.8Very high94.1Very high127 Ų12795.3 Ų95.355%0.55245%0.452SS*.Hα-helixtrans-59.5-46.3177.7-174.7178.8179.5-173.90111.5S137 Y138 L143 E144 E145S137-K141 PolarHBondContact O-N 3.05Å; Y138-K141 PolarHBondContact O-N 3.18Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-L143 PolarHBondContact O-N 2.96Å; K141-E144 WeakPolarHBondContact O-CB 3.48Å; K141-E144 PolarHBondContact O-N 2.88Å; K141-E145 WeakPolarHBondContact CE-OE1 3.43Å; K141-E145 WeakPolarHBondContact O-CG 3.3Å; K141-E145 PolarHBondContact O-N 3.28Å
142K94.8Very high94.2Very high68 Ų6898.8 Ų98.830%0.29646%0.462SS..Hα-helixtrans-62.2-39.7179-166.2173.4-174174.80112.4Y138 H139 R140 E145 Y146Y138-K142 HydrophobicContact CE1-CD 4.04Å; Y138-K142 WeakPolarHBondContact O-CB 3.47Å; Y138-K142 PolarHBondContact O-N 3.15Å; H139-K142 PolarHBondContact O-N 2.93Å; R140-K142 VanDerWaalsContact C-N 3.34Å; R140-K142 PolarHBondContact O-N 2.9Å; K142-E145 PolarHBondContact O-N 3.07Å; K142-Y146 HydrophobicContact CD-CE2 4.04Å; K142-Y146 WeakPolarHBondContact CE-OH 3.47Å; K142-Y146 HydrophobicContact CG-CD2 4.05Å; K142-Y146 HydrophobicContact CG-CE2 3.54Å; K142-Y146 WeakPolarHBondContact O-CD2 3.48Å; K142-Y146 PolarHBondContact O-N 2.79Å
143L96.1Very high94.4Very high101 Ų101102.8 Ų102.853%0.52947%0.473SS..Hα-helixtrans-66.3-39.3174.4-74.5169.7000112.2H139 R140 K141 Y146 N147H139-L143 WeakPolarHBondContact O-CB 3.2Å; H139-L143 VanDerWaalsContact O-CG 3.28Å; H139-L143 WeakPolarHBondContact O-CG 3.44Å; H139-L143 PolarHBondContact O-N 2.99Å; R140-L143 PolarHBondContact O-N 3.38Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-L143 PolarHBondContact O-N 2.96Å; L143-Y146 PolarHBondContact O-N 3.06Å; L143-N147 VanDerWaalsContact O-CB 3.23Å; L143-N147 WeakPolarHBondContact O-CB 3.43Å; L143-N147 VanDerWaalsContact O-CG 3.24Å; L143-N147 PolarHBondContact O-N 3.07Å; L143-N147 PolarHBondContact O-ND2 3.39Å
144E95.9Very high94.8Very high122 Ų12297.7 Ų97.757%0.5746%0.458SS*.Hα-helixtrans-62.6-44.9174.4-74.6166.4-173.200111.4R140 K141 Y146 N147 A148R140-E144 WeakPolarHBondContact O-CG 3.35Å; R140-E144 PolarHBondContact O-N 3.3Å; K141-E144 WeakPolarHBondContact O-CB 3.48Å; K141-E144 PolarHBondContact O-N 2.88Å; E144-Y146 PolarHBondContact O-N 3.41Å; E144-N147 PolarHBondContact O-N 2.87Å; E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 3.15Å
145E96.6Very high95.2Very high111 Ų11195.9 Ų95.952%0.51945%0.452SS..Hα-helixtrans-59.1-46.2175.2-72.3169.4-176.100111.6K141 K142 N147 P149K141-E145 WeakPolarHBondContact CE-OE1 3.43Å; K141-E145 WeakPolarHBondContact O-CG 3.3Å; K141-E145 PolarHBondContact O-N 3.28Å; K142-E145 PolarHBondContact O-N 3.07Å; E145-N147 VanDerWaalsContact C-N 3.34Å; E145-N147 PolarHBondContact O-N 2.64Å; E145-P149 WeakPolarHBondContact O-CD 3.46Å
146Y95.4Very high95.4Very high144 Ų144100.9 Ų100.957%0.56548%0.477SS*.Hα-helixtrans-67.4-33.2176.8-70.9-45.1000113.5K142 L143 E144K142-Y146 HydrophobicContact CD-CE2 4.04Å; K142-Y146 WeakPolarHBondContact CE-OH 3.47Å; K142-Y146 HydrophobicContact CG-CD2 4.05Å; K142-Y146 HydrophobicContact CG-CE2 3.54Å; K142-Y146 WeakPolarHBondContact O-CD2 3.48Å; K142-Y146 PolarHBondContact O-N 2.79Å; L143-Y146 PolarHBondContact O-N 3.06Å; E144-Y146 PolarHBondContact O-N 3.41Å
147N95.1Very high95.6Very high78 Ų78104 Ų10442%0.41749%0.489SS..Hα-helixtrans-84.4-19.9-177.1-75.9-26.9000113.8L143 E144 E145 W150 K151L143-N147 VanDerWaalsContact O-CB 3.23Å; L143-N147 WeakPolarHBondContact O-CB 3.43Å; L143-N147 VanDerWaalsContact O-CG 3.24Å; L143-N147 PolarHBondContact O-N 3.07Å; L143-N147 PolarHBondContact O-ND2 3.39Å; E144-N147 PolarHBondContact O-N 2.87Å; E145-N147 VanDerWaalsContact C-N 3.34Å; E145-N147 PolarHBondContact O-N 2.64Å; N147-W150 PolarHBondContact O-N 3.48Å; N147-K151 WeakPolarHBondContact O-CG 3.46Å; N147-K151 PolarHBondContact O-N 3.18Å
148A96.1Very high95.8Very high42 Ų42106.2 Ų106.235%0.34749%0.491SS..Hα-helixtrans-56.8-48.9-176.400000113.5E144 W150 K151 E152E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 3.15Å; A148-W150 VanDerWaalsContact C-N 3.26Å; A148-W150 PolarHBondContact O-N 3.03Å; A148-K151 PolarHBondContact O-N 3.2Å; A148-E152 PolarHBondContact O-N 3.3Å
149P96.4Very high96.1Very high62 Ų62106.2 Ų106.240%0.40349%0.494SS..Hα-helixtrans-64.1-31.8179.7-2133.4000113.2E145 R153E145-P149 WeakPolarHBondContact O-CD 3.46Å; P149-R153 VanDerWaalsContact O-CG 3.32Å; P149-R153 WeakPolarHBondContact O-CG 3.5Å; P149-R153 PolarHBondContact O-N 3.25Å; P149-R153 VanDerWaalsContact O-N 3.07Å
150W95.4Very high96.3Very high156 Ų156107.6 Ų107.659%0.59151%0.505SS*.Hα-helixtrans-72-37.5178.6-61.9111.1000111.7N147 A148 R153 V154N147-W150 PolarHBondContact O-N 3.48Å; A148-W150 VanDerWaalsContact C-N 3.26Å; A148-W150 PolarHBondContact O-N 3.03Å; W150-R153 PolarHBondContact O-N 3.25Å; W150-V154 VanDerWaalsContact O-CG2 3.31Å; W150-V154 WeakPolarHBondContact O-CG2 3.28Å; W150-V154 PolarHBondContact O-N 3.31Å
151K94.8Very high96.4Very high142 Ų142105.5 Ų105.562%0.61750%0.503SS*.Hα-helixtrans-61.3-46.1173.8-72177.9177.7-179.80111.5N147 A148 R153 V154 E155N147-K151 WeakPolarHBondContact O-CG 3.46Å; N147-K151 PolarHBondContact O-N 3.18Å; A148-K151 PolarHBondContact O-N 3.2Å; K151-R153 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 3.27Å; K151-V154 PolarHBondContact O-N 2.86Å; K151-E155 PolarHBondContact O-N 2.96Å
152E96Very high96.4Very high136 Ų136104 Ų10464%0.63651%0.505SS*.Hα-helixtrans-61.4-42.1176.7-70.1174.4-171.600112A148 E155 L156A148-E152 PolarHBondContact O-N 3.3Å; E152-E155 PolarHBondContact O-N 3.5Å; E152-L156 WeakPolarHBondContact O-CB 3.41Å; E152-L156 PolarHBondContact O-N 3.03Å
153R97.1Very high96.4Very high142 Ų142106.6 Ų106.654%0.53652%0.52SS..Hα-helixtrans-63.6-42.7176.3-75.8177.7-173.6-170.80.9112.5P149 W150 K151 L156 I157P149-R153 VanDerWaalsContact O-CG 3.32Å; P149-R153 WeakPolarHBondContact O-CG 3.5Å; P149-R153 PolarHBondContact O-N 3.25Å; P149-R153 VanDerWaalsContact O-N 3.07Å; W150-R153 PolarHBondContact O-N 3.25Å; K151-R153 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 3.27Å; R153-L156 PolarHBondContact O-N 2.7Å; R153-I157 WeakPolarHBondContact O-CD1 3.46Å; R153-I157 VanDerWaalsContact O-CG1 3.25Å; R153-I157 WeakPolarHBondContact O-CG1 3.44Å; R153-I157 PolarHBondContact O-N 3.09Å
154V97.4Very high96.4Very high78 Ų78108.3 Ų108.347%0.47353%0.525SS..Hα-helixtrans-61.6-47.7177.1168.70000110.2W150 K151 L156 I157 E158W150-V154 VanDerWaalsContact O-CG2 3.31Å; W150-V154 WeakPolarHBondContact O-CG2 3.28Å; W150-V154 PolarHBondContact O-N 3.31Å; K151-V154 PolarHBondContact O-N 2.86Å; V154-L156 VanDerWaalsContact C-N 3.3Å; V154-L156 PolarHBondContact O-N 3.16Å; V154-I157 PolarHBondContact O-N 3.03Å; V154-I157 VanDerWaalsContact O-N 3.16Å; V154-E158 HydrophobicContact CG1-CG 4.39Å; V154-E158 WeakPolarHBondContact O-CG 3.33Å; V154-E158 PolarHBondContact O-N 3.36Å
155E97Very high96.3Very high102 Ų102106.1 Ų106.148%0.47752%0.52SS..Hα-helixtrans-61-39.7178.5-167.6-171.1156.800112K151 E152 E158 K159K151-E155 PolarHBondContact O-N 2.96Å; E152-E155 PolarHBondContact O-N 3.5Å; E155-E158 PolarHBondContact O-N 3.21Å; E155-K159 WeakPolarHBondContact O-CG 3.44Å; E155-K159 PolarHBondContact O-N 3.05Å; E155-K159 VanDerWaalsContact OE1-CE 3.28Å; E155-K159 WeakPolarHBondContact OE1-CE 3.23Å; E155-K159 IonicContact OE1-NZ 3.97Å; E155-K159 PolarHBondContact OE1-NZ 3.06Å
156L97.2Very high96.1Very high108 Ų108108.2 Ų108.257%0.56552%0.523SS*.Hα-helixtrans-62.7-46.5175.2179.462.7000111.6E152 R153 V154 E158 K159 V160E152-L156 WeakPolarHBondContact O-CB 3.41Å; E152-L156 PolarHBondContact O-N 3.03Å; R153-L156 PolarHBondContact O-N 2.7Å; V154-L156 VanDerWaalsContact C-N 3.3Å; V154-L156 PolarHBondContact O-N 3.16Å; L156-E158 VanDerWaalsContact C-N 3.35Å; L156-E158 PolarHBondContact O-N 2.96Å; L156-K159 PolarHBondContact O-N 3.19Å; L156-V160 WeakPolarHBondContact O-CG2 3.36Å; L156-V160 PolarHBondContact O-N 3.28Å
157I97.4Very high96Very high97 Ų97108.6 Ų108.650%0.49753%0.528SS..Hα-helixtrans-62.7-43.6179.6-70.3165.1000110.4R153 V154 K159 V160 I161R153-I157 WeakPolarHBondContact O-CD1 3.46Å; R153-I157 VanDerWaalsContact O-CG1 3.25Å; R153-I157 WeakPolarHBondContact O-CG1 3.44Å; R153-I157 PolarHBondContact O-N 3.09Å; V154-I157 PolarHBondContact O-N 3.03Å; V154-I157 VanDerWaalsContact O-N 3.16Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 3.08Å; I157-V160 PolarHBondContact O-N 3.28Å; I157-I161 HydrophobicContact CG2-CD1 3.69Å; I157-I161 HydrophobicContact CG2-CG1 4.31Å; I157-I161 VanDerWaalsContact O-CG1 3.31Å; I157-I161 WeakPolarHBondContact O-CG1 3.35Å; I157-I161 PolarHBondContact O-N 2.97Å
158E97.6Very high95.8Very high115 Ų115108.5 Ų108.554%0.53753%0.533SS..Hα-helixtrans-59.8-42.3176.7-73.9176.5167.500112.2V154 E155 L156 I161 T162V154-E158 HydrophobicContact CG1-CG 4.39Å; V154-E158 WeakPolarHBondContact O-CG 3.33Å; V154-E158 PolarHBondContact O-N 3.36Å; E155-E158 PolarHBondContact O-N 3.21Å; L156-E158 VanDerWaalsContact C-N 3.35Å; L156-E158 PolarHBondContact O-N 2.96Å; E158-I161 PolarHBondContact O-N 3.27Å; E158-T162 WeakPolarHBondContact O-CB 3.45Å; E158-T162 PolarHBondContact O-N 3.41Å; E158-T162 PolarHBondContact O-OG1 3.34Å
159K97.2Very high95.6Very high111 Ų111111 Ų11148%0.48354%0.541SS..Hα-helixtrans-61-46.1174.2-74.1170.8-175.51660111.8E155 L156 I157 T162 M163E155-K159 WeakPolarHBondContact O-CG 3.44Å; E155-K159 PolarHBondContact O-N 3.05Å; E155-K159 VanDerWaalsContact OE1-CE 3.28Å; E155-K159 WeakPolarHBondContact OE1-CE 3.23Å; E155-K159 IonicContact OE1-NZ 3.97Å; E155-K159 PolarHBondContact OE1-NZ 3.06Å; L156-K159 PolarHBondContact O-N 3.19Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 3.08Å; K159-T162 PolarHBondContact O-N 2.83Å; K159-M163 WeakPolarHBondContact O-CG 3.19Å; K159-M163 PolarHBondContact O-N 3.14Å
160V97.1Very high95.3Very high77 Ų77112.5 Ų112.547%0.46754%0.542SS..Hα-helixtrans-61.9-47.91791720000110.9L156 I157 T162 M163 Q164L156-V160 WeakPolarHBondContact O-CG2 3.36Å; L156-V160 PolarHBondContact O-N 3.28Å; I157-V160 PolarHBondContact O-N 3.28Å; V160-T162 VanDerWaalsContact C-N 3.3Å; V160-T162 PolarHBondContact O-N 3.44Å; V160-M163 PolarHBondContact O-N 3.15Å; V160-Q164 WeakPolarHBondContact O-CB 3.31Å; V160-Q164 PolarHBondContact O-N 2.89Å
161I97.4Very high94.9Very high97 Ų97110 Ų11050%0.49754%0.54SS..Hα-helixtrans-57.7-45.5177.4-69.3168.7000110.3I157 E158 Q164 T165I157-I161 HydrophobicContact CG2-CD1 3.69Å; I157-I161 HydrophobicContact CG2-CG1 4.31Å; I157-I161 VanDerWaalsContact O-CG1 3.31Å; I157-I161 WeakPolarHBondContact O-CG1 3.35Å; I157-I161 PolarHBondContact O-N 2.97Å; E158-I161 PolarHBondContact O-N 3.27Å; I161-Q164 PolarHBondContact O-N 3.3Å; I161-T165 VanDerWaalsContact O-CB 3.31Å; I161-T165 WeakPolarHBondContact O-CB 3.44Å; I161-T165 PolarHBondContact O-N 3.45Å; I161-T165 PolarHBondContact O-OG1 2.67Å
162T96.6Very high94.6Very high96 Ų96108.7 Ų108.759%0.58953%0.534SS*.Hα-helixtrans-63.3-46.4-179.6-56.30000111.6E158 K159 V160 T165 R166E158-T162 WeakPolarHBondContact O-CB 3.45Å; E158-T162 PolarHBondContact O-N 3.41Å; E158-T162 PolarHBondContact O-OG1 3.34Å; K159-T162 PolarHBondContact O-N 2.83Å; V160-T162 VanDerWaalsContact C-N 3.3Å; V160-T162 PolarHBondContact O-N 3.44Å; T162-T165 PolarHBondContact O-N 2.99Å; T162-R166 WeakPolarHBondContact O-CB 3.22Å; T162-R166 PolarHBondContact O-N 3.39Å
163M95.3Very high94.2Very high122 Ų122109.4 Ų109.460%0.60154%0.535SS*.Hα-helixtrans-62.2-43.5177.1-73.3-176.468.600112.2K159 V160 R166 K167K159-M163 WeakPolarHBondContact O-CG 3.19Å; K159-M163 PolarHBondContact O-N 3.14Å; V160-M163 PolarHBondContact O-N 3.15Å; M163-R166 PolarHBondContact O-N 3.37Å; M163-K167 WeakPolarHBondContact O-CB 3.44Å; M163-K167 PolarHBondContact O-N 3.47Å
164Q94.9Very high93.4Very high137 Ų137109 Ų10964%0.6454%0.539SS*.Hα-helixtrans-68-40.1-179.7-171.2169.90.400111.6V160 I161 K167 S168V160-Q164 WeakPolarHBondContact O-CB 3.31Å; V160-Q164 PolarHBondContact O-N 2.89Å; I161-Q164 PolarHBondContact O-N 3.3Å; Q164-K167 PolarHBondContact O-N 3.12Å; Q164-S168 WeakPolarHBondContact O-CB 3.23Å; Q164-S168 PolarHBondContact O-N 3.14Å
165T93.6Very high92.3Very high76 Ų76110.3 Ų110.347%0.46655%0.548SS..Hα-helixtrans-62-46174.9-56.10000110.5I161 T162 K167 S168 L169I161-T165 VanDerWaalsContact O-CB 3.31Å; I161-T165 WeakPolarHBondContact O-CB 3.44Å; I161-T165 PolarHBondContact O-N 3.45Å; I161-T165 PolarHBondContact O-OG1 2.67Å; T162-T165 PolarHBondContact O-N 2.99Å; T165-K167 PolarHBondContact O-N 3.23Å; T165-S168 PolarHBondContact O-N 3.4Å; T165-L169 HydrophobicContact CG2-CD1 4.28Å; T165-L169 VanDerWaalsContact O-CG 3.3Å; T165-L169 WeakPolarHBondContact O-CG 3.41Å; T165-L169 PolarHBondContact O-N 3.02Å
166R93.6Very high90.7Very high155 Ų155111.8 Ų111.859%0.58555%0.554SS**Hα-helixtrans-59.1-49.2175.6-171-176.774.8-176.90.2111.9T162 M163 S168 L169 E170T162-R166 WeakPolarHBondContact O-CB 3.22Å; T162-R166 PolarHBondContact O-N 3.39Å; M163-R166 PolarHBondContact O-N 3.37Å; R166-S168 VanDerWaalsContact C-N 3.33Å; R166-S168 PolarHBondContact O-N 3.03Å; R166-L169 WeakPolarHBondContact O-CB 3.28Å; R166-L169 PolarHBondContact O-N 3.33Å; R166-E170 WeakPolarHBondContact CG-OE1 3.27Å; R166-E170 IonicContact NE-OE1 2.66Å; R166-E170 WeakPolarHBondContact O-CG 3.37Å; R166-E170 PolarHBondContact O-N 3.02Å
167K93.4Very high88.7Confident151 Ų151109 Ų10966%0.65754%0.544SS*.Hα-helixtrans-61.9-39.6179.4-172178.1-179.8-179.80112.2M163 Q164 T165 E170 L171M163-K167 WeakPolarHBondContact O-CB 3.44Å; M163-K167 PolarHBondContact O-N 3.47Å; Q164-K167 PolarHBondContact O-N 3.12Å; T165-K167 PolarHBondContact O-N 3.23Å; K167-E170 PolarHBondContact O-N 3.38Å; K167-L171 WeakPolarHBondContact O-CB 3.48Å; K167-L171 PolarHBondContact O-N 2.91Å
168S90.6Very high86.7Confident76 Ų76111 Ų11153%0.53156%0.563SS.*Hα-helixtrans-63.8-41.2175.6178.50000111.9Q164 T165 R166 L171 K172Q164-S168 WeakPolarHBondContact O-CB 3.23Å; Q164-S168 PolarHBondContact O-N 3.14Å; T165-S168 PolarHBondContact O-N 3.4Å; R166-S168 VanDerWaalsContact C-N 3.33Å; R166-S168 PolarHBondContact O-N 3.03Å; S168-L171 PolarHBondContact O-N 3.43Å; S168-K172 WeakPolarHBondContact O-CB 3.48Å; S168-K172 PolarHBondContact O-N 2.87Å
169L91Very high84.6Confident96 Ų96109.7 Ų109.750%0.50357%0.567SS.*Hα-helixtrans-65.2-41.3175.3-69.8169.2000112.4T165 R166 K172 K173T165-L169 HydrophobicContact CG2-CD1 4.28Å; T165-L169 VanDerWaalsContact O-CG 3.3Å; T165-L169 WeakPolarHBondContact O-CG 3.41Å; T165-L169 PolarHBondContact O-N 3.02Å; R166-L169 WeakPolarHBondContact O-CB 3.28Å; R166-L169 PolarHBondContact O-N 3.33Å; L169-K172 PolarHBondContact O-N 3.04Å; L169-K173 WeakPolarHBondContact O-CG 3.45Å; L169-K173 PolarHBondContact O-N 3.44Å; L169-K173 VanDerWaalsContact O-N 3.08Å
170E89.8Confident82.3Confident92 Ų92110.9 Ų110.943%0.4358%0.583SS.*Hα-helixtrans-62.1-46.5175.7-74.5166.6-169.300111.7R166 K167 K172 K173 Q174R166-E170 WeakPolarHBondContact CG-OE1 3.27Å; R166-E170 IonicContact NE-OE1 2.66Å; R166-E170 WeakPolarHBondContact O-CG 3.37Å; R166-E170 PolarHBondContact O-N 3.02Å; K167-E170 PolarHBondContact O-N 3.38Å; E170-K172 VanDerWaalsContact C-N 3.33Å; E170-K172 PolarHBondContact O-N 3.14Å; E170-K173 PolarHBondContact O-N 3.15Å; E170-Q174 WeakPolarHBondContact O-CG 3.24Å; E170-Q174 PolarHBondContact O-N 3.42Å; E170-Q174 VanDerWaalsContact O-N 3.15Å
171L88.9Confident79.9Confident105 Ų105112.4 Ų112.455%0.5559%0.593SS.*Hα-helixtrans-61.9-41.9176.9-17662.1000111.6K167 S168 K173 Q174 T175K167-L171 WeakPolarHBondContact O-CB 3.48Å; K167-L171 PolarHBondContact O-N 2.91Å; S168-L171 PolarHBondContact O-N 3.43Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.09Å; L171-Q174 WeakPolarHBondContact O-CB 3.32Å; L171-Q174 PolarHBondContact O-N 3.06Å; L171-Q174 VanDerWaalsContact O-N 3.14Å; L171-T175 PolarHBondContact O-N 3.47Å; L171-T175 PolarHBondContact O-OG1 3.4Å
172K87.1Confident77.6Confident113 Ų113118.3 Ų118.349%0.49161%0.609SS.*Hα-helixtrans-59.4-43.1176.8-173.1173.3176.5177.30112S168 L169 E170 Q174 T175 E176S168-K172 WeakPolarHBondContact O-CB 3.48Å; S168-K172 PolarHBondContact O-N 2.87Å; L169-K172 PolarHBondContact O-N 3.04Å; E170-K172 VanDerWaalsContact C-N 3.33Å; E170-K172 PolarHBondContact O-N 3.14Å; K172-Q174 VanDerWaalsContact C-N 3.31Å; K172-Q174 PolarHBondContact O-N 2.93Å; K172-T175 WeakPolarHBondContact CA-OG1 3.34Å; K172-T175 PolarHBondContact O-N 3.24Å; K172-T175 PolarHBondContact O-OG1 3.17Å; K172-E176 WeakPolarHBondContact CE-OE1 3.17Å; K172-E176 HydrophobicContact CG-CG 4.49Å; K172-E176 WeakPolarHBondContact CG-OE1 3.39Å; K172-E176 IonicContact NZ-OE1 3.25Å; K172-E176 WeakPolarHBondContact O-CB 3.02Å; K172-E176 WeakPolarHBondContact O-CG 3.09Å; K172-E176 PolarHBondContact O-N 3.11Å
173K88.2Confident75.3Confident151 Ų151121 Ų12166%0.65762%0.619SS**Hα-helixtrans-63.1-34.6175.5-70.9174.3-177.5-1770113L169 E170 L171 S177L169-K173 WeakPolarHBondContact O-CG 3.45Å; L169-K173 PolarHBondContact O-N 3.44Å; L169-K173 VanDerWaalsContact O-N 3.08Å; E170-K173 PolarHBondContact O-N 3.15Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.09Å; K173-S177 PolarHBondContact O-N 2.88Å
174Q79.7Confident73.1Confident134 Ų134123.1 Ų123.163%0.62663%0.627SS**Hα-helixtrans-70.3-39.8176.6-69.2174.11.200111.8E170 L171 K172 S177E170-Q174 WeakPolarHBondContact O-CG 3.24Å; E170-Q174 PolarHBondContact O-N 3.42Å; E170-Q174 VanDerWaalsContact O-N 3.15Å; L171-Q174 WeakPolarHBondContact O-CB 3.32Å; L171-Q174 PolarHBondContact O-N 3.06Å; L171-Q174 VanDerWaalsContact O-N 3.14Å; K172-Q174 VanDerWaalsContact C-N 3.31Å; K172-Q174 PolarHBondContact O-N 2.93Å; Q174-S177 PolarHBondContact O-N 3.48Å; Q174-S177 PolarHBondContact O-OG 2.85Å
175T74.1Confident70.8Confident106 Ų106122.4 Ų122.465%0.6564%0.636SS**Hα-helixtrans-73.3-25176.5470000114L171 K172L171-T175 PolarHBondContact O-N 3.47Å; L171-T175 PolarHBondContact O-OG1 3.4Å; K172-T175 WeakPolarHBondContact CA-OG1 3.34Å; K172-T175 PolarHBondContact O-N 3.24Å; K172-T175 PolarHBondContact O-OG1 3.17Å
176E64.7Low68.7Low132 Ų132124.1 Ų124.162%0.61765%0.651SS**THydrogen-bonded Turntrans-89.2-5.2176-70172.8174.700112.9K172K172-E176 WeakPolarHBondContact CE-OE1 3.17Å; K172-E176 HydrophobicContact CG-CG 4.49Å; K172-E176 WeakPolarHBondContact CG-OE1 3.39Å; K172-E176 IonicContact NZ-OE1 3.25Å; K172-E176 WeakPolarHBondContact O-CB 3.02Å; K172-E176 WeakPolarHBondContact O-CG 3.09Å; K172-E176 PolarHBondContact O-N 3.11Å
177S54.5Low66.2Low51 Ų51122.2 Ų122.236%0.35766%0.66SS.*SBendtrans-74.6136172.275.30000110.7K173 Q174 S179K173-S177 PolarHBondContact O-N 2.88Å; Q174-S177 PolarHBondContact O-N 3.48Å; Q174-S177 PolarHBondContact O-OG 2.85Å; S177-S179 PolarHBondContact O-N 3.27Å
178P54.9Low64.1Low137 Ų137119.7 Ų119.789%0.8967%0.667SS**THydrogen-bonded Turntrans-78.671.3-177.431.9-33.3000110.2
179S54Low61.7Low88 Ų88124 Ų12462%0.61568%0.683SS**THydrogen-bonded Turntrans-130.95173.370.30000114.4S177 T181S177-S179 PolarHBondContact O-N 3.27Å; S179-T181 PolarHBondContact O-N 2.81Å; S179-T181 VanDerWaalsContact O-N 3.14Å
180V49.9Very low59.3Low136 Ų136124.4 Ų124.482%0.82469%0.694SS**SBendtrans-81.288.5153.3-174.40000105.8R182V180-R182 PolarHBondContact O-N 3.12Å
181T46.2Very low57Low110 Ų110123.4 Ų123.468%0.67570%0.701SS**  trans-41.2114.6161.839.20000107.8S179 L183S179-T181 PolarHBondContact O-N 2.81Å; S179-T181 VanDerWaalsContact O-N 3.14Å; T181-L183 PolarHBondContact O-N 3.39Å
182R47.8Very low54.7Low221 Ų221127 Ų12783%0.83471%0.714SS**  trans-52.8103.9152.6-179-179.1-73.1-152.5-2.1103.5V180 E184V180-R182 PolarHBondContact O-N 3.12Å; R182-E184 PolarHBondContact O-N 3.17Å
183L50Low52.3Low151 Ų151129.9 Ų129.979%0.79173%0.727SS**  trans-57.591.4166.6-78.4159.4000104.8T181 C185T181-L183 PolarHBondContact O-N 3.39Å; L183-C185 PolarHBondContact O-N 3.25Å
184E48.2Very low50.1Low168 Ų168130.1 Ų130.179%0.78574%0.736SS**  trans-65.194.7158.5-70.1-168.8164.400104.4R182 S186R182-E184 PolarHBondContact O-N 3.17Å; E184-S186 PolarHBondContact O-N 3.2Å
185C45.8Very low48.2Very low121 Ų121131 Ų13182%0.81874%0.744SS**  trans-61.483.1162.4-85.70000107.5L183 C187L183-C185 PolarHBondContact O-N 3.25Å; C185-C187 VanDerWaalsContact C-N 3.25Å; C185-C187 PolarHBondContact O-N 2.96Å; C185-C187 VanDerWaalsContact O-N 3.11Å
186S49.8Very low46.3Very low112 Ų112136.6 Ų136.678%0.78375%0.753SS**  trans-72.286.8157.4-177.30000107.3E184E184-S186 PolarHBondContact O-N 3.2Å
187C40.8Very low44.9Very low116 Ų116137.5 Ų137.578%0.78476%0.762SS**  trans-131.8105.4154.3-84.60000108C185 I189C185-C187 VanDerWaalsContact C-N 3.25Å; C185-C187 PolarHBondContact O-N 2.96Å; C185-C187 VanDerWaalsContact O-N 3.11Å; C187-I189 PolarHBondContact O-N 2.66Å
188A49.2Very low44.2Very low97 Ų97141 Ų14180%0.80278%0.783SS**  trans-50.7117.1158.800000110.1
189I42.2Very low43.1Very low168 Ų168137.5 Ų137.586%0.86277%0.771SS**  trans-124.793.8145.1-59-178.4000106.3C187C187-I189 PolarHBondContact O-N 2.66Å
190S40Very low42.2Very low104 Ų104139.4 Ų139.473%0.72779%0.785SS**  trans-57.4129.6163.7-171.40000109.7
191A41.5Very low41.6Very low70 Ų70143.6 Ų143.658%0.57979%0.786SS**  trans56.3143.7137.800000121.4
192H39.2Very low41.1Very low180 Ų180144.8 Ų144.883%0.83379%0.788SS**  trans72.9103.6161.2-65.3-81.6000117.5
193F37.2Very low40.9Very low175 Ų175139.1 Ų139.177%0.76878%0.782SS**  -169.1118.799.4-148.9-116.5000110.8L195F193-L195 HydrophobicContact CD1-CD1 3.86Å; F193-L195 HydrophobicContact CD1-CG 3.7Å; F193-L195 HydrophobicContact CE1-CD1 3.75Å; F193-L195 HydrophobicContact CE1-CD2 4.23Å; F193-L195 HydrophobicContact CE1-CG 3.67Å; F193-L195 PolarHBondContact O-N 2.92Å
194N42Very low40.5Very low155 Ų155138.1 Ų138.183%0.82979%0.785SS**  trans-62.6114.3161.6-83.6-55.7000108.9
195L40Very low40.1Very low153 Ų153134.6 Ų134.680%0.80179%0.785SS**  trans-135.3105.7149.2-82.2175.2000110.4F193F193-L195 HydrophobicContact CD1-CD1 3.86Å; F193-L195 HydrophobicContact CD1-CG 3.7Å; F193-L195 HydrophobicContact CE1-CD1 3.75Å; F193-L195 HydrophobicContact CE1-CD2 4.23Å; F193-L195 HydrophobicContact CE1-CG 3.67Å; F193-L195 PolarHBondContact O-N 2.92Å
196R35.5Very low40.2Very low223 Ų223134.6 Ų134.684%0.84279%0.786SS**  trans-64159.8164.2-167.1-177.2-135.6-143.31.5110.2
197L34Very low39.5Very low152 Ų152132.4 Ų132.480%0.79678%0.781SS**  trans107.4145.7159.6-56.7173.5000114.5
198P39.5Very low39.6Very low125 Ų125132.4 Ų132.481%0.81278%0.782SS**  cis-113.9165.39.720.43.4000111.9
199G32.7Very low39.2Very low62 Ų62140.6 Ų140.664%0.63980%0.804SS**  cis98.3107.643.200000110
200S34.3Very low39Very low129 Ų129139.2 Ų139.290%0.90280%0.801SS**  trans74.9114.1166.174.90000119.9
201R38.8Very low39Very low224 Ų224141.1 Ų141.185%0.84581%0.805SS**  trans-115.4138.5149.9-113.3-169.4-168.3-157.32.1107.4
202D33.8Very low38.8Very low134 Ų134145 Ų14572%0.71782%0.818SS**  trans73.3136.2152.7-42.7-30.1000115.6
203S44Very low38.8Very low103 Ų103142.9 Ų142.972%0.7282%0.817SS**  cis-157.218021.1-56.60000109.7
204P42.6Very low38.9Very low129 Ų129140.9 Ų140.984%0.83882%0.82SS**  -133.6128.4103.631.5-18.9000112.3
205A38.5Very low38.7Very low95 Ų95140 Ų14079%0.78582%0.819SS**  trans-104.2118156.500000107.1
206S48Very low38.6Very low120 Ų120139.1 Ų139.184%0.83982%0.82SS**  trans-131.2113.6161-56.90000105.4
207G35.3Very low38.9Very low67 Ų67132.6 Ų132.669%0.69182%0.819SS**  trans-90.8172176.800000112.4
208S44.3Very low39.3Very low115 Ų115131 Ų13180%0.80482%0.821SS**  trans93.6116.1152.3-34.10000117.4
209Q39.4Very low39.2Very low269 Ų269131.5 Ų131.5100%1.25782%0.822SS**  trans83.50153.5-63.1-179.810.500118.1

Retrieved 209 of 209 residues in 104.5 ms (Link to these results)

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