A0A096N4Z4_PAPAN Loading...

Nudix hydrolase 22

AlphaFold DB , UniProt , Accession A0A096N4Z4, Species PAPAN (Papio anubis, Olive baboon), Gene NUDT22, Length 303 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
1M67.4Low93.6Very high233 Ų23367.7 Ų67.7100%1.14836%0.359SS*.  0136.40-71.5-162.1-82.200107
2D89.6Confident93.6Very high33 Ų3365.3 Ų65.318%0.17635%0.35CS..  trans-74.3119.3179.5-167.2-45.8000109.1E4 V5 W268 K276D2-E4 PolarHBondContact O-N 3.44Å; D2-E4 WeakPolarHBondContact OD1-CB 3.4Å; D2-E4 PolarHBondContact OD1-N 3.11Å; D2-V5 PolarHBondContact O-N 3.23Å; D2-W268 HydrophobicContact CB-CZ2 4.49Å; D2-W268 PolarHBondContact OD2-NE1 3.03Å; D2-K276 IonicContact OD1-NZ 3.21Å; D2-K276 WeakPolarHBondContact OD2-CD 3.24Å; D2-K276 WeakPolarHBondContact OD2-CE 3.47Å; D2-K276 IonicContact OD2-NZ 3.73Å; D2-K276 PolarHBondContact OD2-NZ 3.12Å
3P94.3Very high93.3Very high112 Ų11266.8 Ų66.873%0.72739%0.391SS*.THydrogen-bonded Turntrans-71-14.4-174.430-35.9000113.5V5P3-V5 VanDerWaalsContact C-N 3.32Å
4E94.9Very high93.3Very high74 Ų7463.8 Ų63.835%0.34638%0.381SS..THydrogen-bonded Turntrans-82-14.8-178.2-60.9178.817100112.7D2 E213 T214 P273 K276D2-E4 PolarHBondContact O-N 3.44Å; D2-E4 WeakPolarHBondContact OD1-CB 3.4Å; D2-E4 PolarHBondContact OD1-N 3.11Å; E4-E213 PolarHBondContact O-N 2.84Å; E4-T214 HydrophobicContact CB-CG2 3.8Å; E4-T214 HydrophobicContact CG-CG2 3.66Å; E4-P273 HydrophobicContact CB-CB 4.45Å; E4-P273 HydrophobicContact CB-CG 4.24Å; E4-K276 IonicContact OE2-NZ 2.82Å; E4-K276 PolarHBondContact OE2-NZ 3.46Å
5V97.3Very high93.5Very high14 Ų1460.1 Ų60.19%0.08536%0.361CS..EExtended strand (participates in β ladder)trans-132.8125.6-173.3-176.40000111.6D2 P3 A210 R211 P273 K276 I280D2-V5 PolarHBondContact O-N 3.23Å; P3-V5 VanDerWaalsContact C-N 3.32Å; V5-A210 HydrophobicContact CG1-CB 4.18Å; V5-R211 WeakPolarHBondContact CA-O 3.42Å; V5-P273 HydrophobicContact CG2-CB 3.8Å; V5-P273 WeakPolarHBondContact CG2-O 3.47Å; V5-K276 HydrophobicContact CG2-CB 3.85Å; V5-K276 HydrophobicContact CG2-CD 4.22Å; V5-I280 HydrophobicContact CG1-CD1 4.39Å
6T97.9Very high93.8Very high56 Ų5656.5 Ų56.534%0.34434%0.339SS..EExtended strand (participates in β ladder)trans-117.5138.2170.164.90000110.5A210 R211 E213T6-A210 CarbonylContact O-C 3.49Å; T6-A210 WeakPolarHBondContact O-CA 3.43Å; T6-R211 PolarHBondContact N-O 2.78Å; T6-R211 VanDerWaalsContact N-O 3.17Å; T6-R211 PolarHBondContact O-N 2.85Å; T6-R211 WeakPolarHBondContact OG1-CB 3.46Å; T6-E213 HydrophobicContact CG2-CG 3.88Å; T6-E213 WeakPolarHBondContact CG2-OE1 3.4Å; T6-E213 PolarHBondContact OG1-OE1 3.13Å
7L98.1Very high94Very high52 Ų5255.2 Ų55.227%0.27233%0.332SS..EExtended strand (participates in β ladder)trans-85.8120.3174.6-58.8-174.4000109.2A210 I280 L281 R284L7-A210 HydrophobicContact CD2-CB 4.1Å; L7-I280 HydrophobicContact CD1-CG2 3.72Å; L7-I280 HydrophobicContact CD2-CG2 4.02Å; L7-I280 HydrophobicContact CG-CG2 4.24Å; L7-L281 HydrophobicContact CD1-CD2 4.26Å; L7-L281 HydrophobicContact CD2-CD1 4.38Å; L7-L281 HydrophobicContact CD2-CD2 4.23Å; L7-L281 HydrophobicContact CD2-CG 4Å; L7-R284 VanDerWaalsContact CD1-NH1 3.31Å
8L97.7Very high94.3Very high62 Ų6257.2 Ų57.233%0.32533%0.333SS..EExtended strand (participates in β ladder)trans-84.2-36.9172.9-178.664.5000111.2L63 I209 R211L8-L63 HydrophobicContact CD2-CD2 3.73Å; L8-I209 HydrophobicContact CB-CB 4.27Å; L8-I209 HydrophobicContact CB-CG2 4.16Å; L8-I209 HydrophobicContact CD2-CG2 4Å; L8-I209 PolarHBondContact N-O 3.49Å; L8-R211 HydrophobicContact CB-CG 4.46Å
9L97.9Very high94.4Very high16 Ų1660.9 Ų60.98%0.08435%0.347CS..EExtended strand (participates in β ladder)trans-145.4136.7-173.8-167.974.6000110.6A66 L68 L78 G208 I209L9-A66 HydrophobicContact CD2-CB 4.29Å; L9-L68 HydrophobicContact CD1-CD1 3.67Å; L9-L68 HydrophobicContact CD1-CD2 4.36Å; L9-L68 HydrophobicContact CD1-CG 3.59Å; L9-L68 HydrophobicContact CG-CD1 4.42Å; L9-L68 HydrophobicContact CG-CG 4.47Å; L9-L78 HydrophobicContact CD1-CD1 4.46Å; L9-L78 HydrophobicContact CD2-CD1 3.73Å; L9-L78 HydrophobicContact CD2-CD2 3.82Å; L9-L78 HydrophobicContact CD2-CG 4.46Å; L9-G208 CarbonylContact O-C 3.58Å; L9-G208 WeakPolarHBondContact O-CA 3.28Å; L9-I209 HydrophobicContact CB-CB 3.92Å; L9-I209 HydrophobicContact CB-CD1 4.32Å; L9-I209 HydrophobicContact CB-CG1 4.09Å; L9-I209 HydrophobicContact CD2-CD1 4.03Å; L9-I209 HydrophobicContact CD2-CG1 4.14Å; L9-I209 PolarHBondContact N-O 3.07Å; L9-I209 VanDerWaalsContact N-O 3.14Å; L9-I209 PolarHBondContact O-N 3.47Å
10Q97.9Very high94.6Very high88 Ų8861.6 Ų61.641%0.41135%0.347SS..EExtended strand (participates in β ladder)trans-122.4120.3166-177.9-178-49.800108.4L68 L281 R284 V285Q10-L68 WeakPolarHBondContact O-CD1 3.5Å; Q10-L281 HydrophobicContact CB-CD2 4.31Å; Q10-L281 HydrophobicContact CG-CD2 4.34Å; Q10-R284 VanDerWaalsContact OE1-CD 3.26Å; Q10-V285 HydrophobicContact CG-CG2 3.65Å
11C96.8Very high94.7Very high5 Ų559.1 Ų59.13%0.03433%0.333CS..  trans-75147.2-177.7-71.50000112.3L16 L206 L207C11-L16 HydrophobicContact CB-CD1 4.46Å; C11-L16 HydrophobicContact CB-CG 4.02Å; C11-L206 WeakPolarHBondContact CB-O 3.47Å; C11-L206 PolarHBondContact SG-O 2.92Å; C11-L206 VanDerWaalsContact SG-O 3.34Å; C11-L207 VanDerWaalsContact CB-O 3.25Å; C11-L207 WeakPolarHBondContact CB-O 3.47Å; C11-L207 PolarHBondContact N-O 2.82Å
12P93.9Very high96.2Very high38 Ų3853 Ų5325%0.24730%0.302CS..SBendtrans-78.6172.6173.634.5-36000111.8G14 G15 L16P12-G14 VanDerWaalsContact C-N 3.3Å; P12-G14 PolarHBondContact O-N 3.37Å; P12-G15 PolarHBondContact O-N 3.12Å; P12-L16 HydrophobicContact CG-CD2 4.07Å
13G89.6Confident96.6Very high86 Ų8652 Ų5289%0.88730%0.299SS*.THydrogen-bonded Turntrans66.422162.200000116.3G15G13-G15 VanDerWaalsContact C-N 3.29Å
14G92.8Very high96.8Very high24 Ų2451 Ų5125%0.24728%0.284CS..THydrogen-bonded Turntrans82.93.9-173.900000114P12 V285 Q286P12-G14 VanDerWaalsContact C-N 3.3Å; P12-G14 PolarHBondContact O-N 3.37Å; G14-V285 WeakPolarHBondContact O-CG1 3.3Å; G14-Q286 PolarHBondContact O-NE2 3.2Å
15G96.8Very high96.9Very high8 Ų848.6 Ų48.68%0.08227%0.273CS..SBendtrans116.4152.4-177.800000111.6P12 G13 L206P12-G15 PolarHBondContact O-N 3.12Å; G13-G15 VanDerWaalsContact C-N 3.29Å; G15-L206 CarbonylContact C-O 3.6Å; G15-L206 WeakPolarHBondContact CA-O 3.43Å
16L97.8Very high96.9Very high3 Ų349.3 Ų49.32%0.01628%0.279CS..BIsolated β-bridgetrans-95.5127.9-175.4-63179.6000110.9C11 P12 Q20 V21 L68 Q77 L78 L206C11-L16 HydrophobicContact CB-CD1 4.46Å; C11-L16 HydrophobicContact CB-CG 4.02Å; P12-L16 HydrophobicContact CG-CD2 4.07Å; L16-Q20 HydrophobicContact CD2-CB 4.42Å; L16-V21 HydrophobicContact CB-CG2 4.1Å; L16-L68 HydrophobicContact CD1-CD2 4.11Å; L16-Q77 HydrophobicContact CD1-CB 3.93Å; L16-Q77 HydrophobicContact CD2-CB 3.74Å; L16-Q77 HydrophobicContact CD2-CG 4.15Å; L16-L78 HydrophobicContact CD1-CB 3.61Å; L16-L78 HydrophobicContact CD1-CD2 4.18Å; L16-L206 PolarHBondContact N-O 3.09Å; L16-L206 PolarHBondContact O-N 3.19Å
17P98.1Very high96.9Very high34 Ų3450.4 Ų50.422%0.22129%0.287CS..  trans-71.8161.8167.733.6-35.9000110.1E19 Q20 L205P17-E19 PolarHBondContact O-N 2.85Å; P17-E19 VanDerWaalsContact O-N 3.13Å; P17-Q20 HydrophobicContact CG-CB 4.35Å; P17-Q20 HydrophobicContact CG-CG 3.93Å; P17-Q20 PolarHBondContact O-N 3.15Å; P17-L205 HydrophobicContact CB-CD2 3.98Å
18R98.1Very high96.9Very high92 Ų9250.5 Ų50.535%0.34730%0.296SS..G310 helixtrans-49.4-42.1-178-173.7-17257.3172.1-2.8113.1Q20 V21 V179 F183R18-Q20 PolarHBondContact O-N 3.42Å; R18-Q20 VanDerWaalsContact O-N 3.15Å; R18-V21 PolarHBondContact O-N 2.92Å; R18-V21 VanDerWaalsContact O-N 3.08Å; R18-V179 HydrophobicContact CG-CG1 3.7Å; R18-F183 VanDerWaalsContact CA-CZ 3.49Å; R18-F183 HydrophobicContact CB-CD1 3.79Å; R18-F183 HydrophobicContact CB-CD2 4.23Å; R18-F183 HydrophobicContact CB-CE1 3.85Å; R18-F183 HydrophobicContact CB-CE2 4.28Å; R18-F183 HydrophobicContact CB-CG 3.98Å; R18-F183 HydrophobicContact CB-CZ 4.09Å; R18-F183 HydrophobicContact CG-CB 4.41Å; R18-F183 HydrophobicContact CG-CD1 4.34Å; R18-F183 HydrophobicContact CG-CD2 4.04Å; R18-F183 HydrophobicContact CG-CE2 4.35Å; R18-F183 HydrophobicContact CG-CG 4.01Å
19E97.2Very high96.9Very high128 Ų12848.3 Ų48.360%0.59828%0.284SS*.G310 helixtrans-67.5-15.3-175.3-61.767.4-143.100113.2P17P17-E19 PolarHBondContact O-N 2.85Å; P17-E19 VanDerWaalsContact O-N 3.13Å
20Q97.3Very high96.9Very high74 Ų7449.4 Ų49.435%0.34629%0.29SS..G310 helixtrans-98.23.4177.1-66.2-176.525.400113.1L16 P17 R18 Q77 L78L16-Q20 HydrophobicContact CD2-CB 4.42Å; P17-Q20 HydrophobicContact CG-CB 4.35Å; P17-Q20 HydrophobicContact CG-CG 3.93Å; P17-Q20 PolarHBondContact O-N 3.15Å; R18-Q20 PolarHBondContact O-N 3.42Å; R18-Q20 VanDerWaalsContact O-N 3.15Å; Q20-Q77 HydrophobicContact CB-CB 4.27Å; Q20-Q77 HydrophobicContact CB-CG 4.21Å; Q20-Q77 HydrophobicContact CG-CG 4.43Å; Q20-Q77 PolarHBondContact O-N 3.31Å; Q20-Q77 VanDerWaalsContact OE1-CG 3.29Å; Q20-L78 PolarHBondContact O-N 3.43Å
21V98.2Very high97Very high10 Ų1046.5 Ų46.56%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-112.7132.1-179.6-175.10000109.7L16 R18 L78 L80 V179 F183 L206L16-V21 HydrophobicContact CB-CG2 4.1Å; R18-V21 PolarHBondContact O-N 2.92Å; R18-V21 VanDerWaalsContact O-N 3.08Å; V21-L78 HydrophobicContact CG1-CB 4.44Å; V21-L78 HydrophobicContact CG1-CD2 4.12Å; V21-L78 HydrophobicContact CG1-CG 4.31Å; V21-L78 HydrophobicContact CG2-CB 4.39Å; V21-L78 HydrophobicContact CG2-CD2 4.26Å; V21-L80 HydrophobicContact CG1-CD1 3.8Å; V21-L80 HydrophobicContact CG1-CG 4.03Å; V21-V179 HydrophobicContact CB-CG1 4.08Å; V21-V179 HydrophobicContact CG1-CG1 4.28Å; V21-V179 HydrophobicContact CG1-CG2 4.1Å; V21-F183 HydrophobicContact CG2-CE2 4.3Å; V21-F183 HydrophobicContact CG2-CZ 4.15Å; V21-L206 HydrophobicContact CG2-CD2 4.37Å
22Q98Very high97.1Very high104 Ų10450.3 Ų50.349%0.48629%0.289SS..EExtended strand (participates in β ladder)trans-113.7150.5170-77.2-177.4-20.500110.2P76 L78 L79 L80Q22-P76 HydrophobicContact CG-CB 3.8Å; Q22-P76 HydrophobicContact CG-CG 3.93Å; Q22-L78 PolarHBondContact N-O 3.14Å; Q22-L79 HydrophobicContact CB-CD1 4.13Å; Q22-L79 WeakPolarHBondContact O-CA 3.46Å; Q22-L80 PolarHBondContact O-N 3.04Å
23A98.1Very high97.3Very high13 Ų1352.8 Ų52.811%0.10731%0.305CS..EExtended strand (participates in β ladder)trans-123141.2169.900000111.2L80 L82 G175 V178 V179A23-L80 CarbonylContact C-O 3.31Å; A23-L80 VanDerWaalsContact CA-O 3.31Å; A23-L80 WeakPolarHBondContact CA-O 3.36Å; A23-L80 HydrophobicContact CB-CB 4.37Å; A23-L82 HydrophobicContact CB-CD1 4.14Å; A23-G175 WeakPolarHBondContact O-CA 3.27Å; A23-V178 HydrophobicContact CB-CB 4.27Å; A23-V178 HydrophobicContact CB-CG1 4.19Å; A23-V179 HydrophobicContact CB-CG2 3.64Å
24E97.9Very high97.7Very high89 Ų8949.6 Ų49.642%0.41627%0.267SS..EExtended strand (participates in β ladder)trans-113.4101.4166.9179.3-177.8-13900107.5H29 L79 L80 R81 L82E24-H29 PolarHBondContact O-ND1 2.91Å; E24-H29 IonicContact OE2-CE1 3.13Å; E24-H29 PolarHBondContact OE2-CE1 3.09Å; E24-H29 VanDerWaalsContact OE2-CE1 3.3Å; E24-H29 IonicContact OE2-NE2 2.67Å; E24-L79 HydrophobicContact CB-CD1 4.12Å; E24-L80 PolarHBondContact N-O 3.45Å; E24-R81 IonicContact OE2-NE 3.47Å; E24-R81 PolarHBondContact OE2-NE 2.91Å; E24-L82 PolarHBondContact O-N 3.19Å
25L97.5Very high97.8Very high24 Ų2451.7 Ų51.713%0.12628%0.276CS..EExtended strand (participates in β ladder)trans-89.6120.7173.1-172.773.8000109.2F61 L82 L84 H170 L173 V178L25-F61 HydrophobicContact CD1-CD1 4.17Å; L25-F61 HydrophobicContact CD1-CE1 4.44Å; L25-L82 WeakPolarHBondContact CA-O 3.27Å; L25-L82 HydrophobicContact CD1-CB 3.83Å; L25-L84 HydrophobicContact CD1-CD2 4.12Å; L25-L84 HydrophobicContact CD1-CG 4.31Å; L25-L84 HydrophobicContact CD2-CD2 4.46Å; L25-H170 HydrophobicContact CD2-CB 4.42Å; L25-H170 HydrophobicContact CG-CB 4.45Å; L25-L173 HydrophobicContact CD2-CB 3.39Å; L25-L173 HydrophobicContact CD2-CD1 3.66Å; L25-L173 HydrophobicContact CD2-CG 4.16Å; L25-V178 HydrophobicContact CB-CG2 4.38Å; L25-V178 HydrophobicContact CD2-CG2 4.14Å
26S97.6Very high97.7Very high30 Ų3054.8 Ų54.821%0.2131%0.309CS..  trans-152.6143.6-175.9176.10000111.8A28 H29 L82S26-A28 PolarHBondContact O-N 2.9Å; S26-A28 VanDerWaalsContact O-N 3.15Å; S26-A28 WeakPolarHBondContact OG-CB 3.45Å; S26-A28 PolarHBondContact OG-N 3.49Å; S26-H29 WeakPolarHBondContact O-CB 3.39Å; S26-H29 PolarHBondContact O-N 2.87Å; S26-L82 PolarHBondContact N-O 2.68Å
27P97.2Very high97.7Very high78 Ų7855.7 Ų55.751%0.50632%0.319SS..G310 helixtrans-63.6-17.7172.627.3-35.2000112.3H29 D30 H170P27-H29 PolarHBondContact O-N 3.27Å; P27-D30 WeakPolarHBondContact O-CB 3.41Å; P27-D30 PolarHBondContact O-N 3.43Å; P27-D30 VanDerWaalsContact O-N 3.15Å; P27-H170 WeakPolarHBondContact CA-NE2 3.38Å
28A97.8Very high97.7Very high55 Ų5556.5 Ų56.546%0.45532%0.321SS..G310 helixtrans-61.9-19.8170.400000112.7S26 R32S26-A28 PolarHBondContact O-N 2.9Å; S26-A28 VanDerWaalsContact O-N 3.15Å; S26-A28 WeakPolarHBondContact OG-CB 3.45Å; S26-A28 PolarHBondContact OG-N 3.49Å; A28-R32 PolarHBondContact O-NH2 3.13Å
29H98.5Very high97.6Very high16 Ų1658.7 Ų58.77%0.07434%0.335CS..G310 helixtrans-101.16.4179.2-55.6146.9000113.1E24 S26 P27 R62 H64 L82E24-H29 PolarHBondContact O-ND1 2.91Å; E24-H29 IonicContact OE2-CE1 3.13Å; E24-H29 PolarHBondContact OE2-CE1 3.09Å; E24-H29 VanDerWaalsContact OE2-CE1 3.3Å; E24-H29 IonicContact OE2-NE2 2.67Å; S26-H29 WeakPolarHBondContact O-CB 3.39Å; S26-H29 PolarHBondContact O-N 2.87Å; P27-H29 PolarHBondContact O-N 3.27Å; H29-R62 PolarHBondContact O-NH1 3.18Å; H29-H64 HydrophobicContact CB-CB 3.72Å; H29-H64 AromaticContact CD2-CG 3.98Å; H29-L82 VanDerWaalsContact CB-C 3.44Å; H29-L82 VanDerWaalsContact CB-O 3.27Å; H29-L82 WeakPolarHBondContact CB-O 3.41Å; H29-L82 PolarHBondContact ND1-O 3.37Å; H29-L82 VanDerWaalsContact ND1-O 3.13Å
30D98.7Very high97.6Very high38 Ų3855.1 Ų55.120%0.20333%0.328CS..SBendtrans-74.6164.4175.4-66.7-4.5000111.4P27 G83 L84 H170P27-D30 WeakPolarHBondContact O-CB 3.41Å; P27-D30 PolarHBondContact O-N 3.43Å; P27-D30 VanDerWaalsContact O-N 3.15Å; D30-G83 WeakPolarHBondContact OD1-CA 3.34Å; D30-L84 PolarHBondContact OD1-N 3.22Å; D30-H170 IonicContact OD1-CD2 2.72Å; D30-H170 IonicContact OD1-CE1 3.65Å; D30-H170 IonicContact OD1-NE2 2.79Å; D30-H170 PolarHBondContact OD1-NE2 3.17Å; D30-H170 IonicContact OD2-CE1 3.79Å; D30-H170 PolarHBondContact OD2-CE1 2.82Å; D30-H170 IonicContact OD2-NE2 3.8Å; D30-H170 PolarHBondContact OD2-NE2 3.15Å; D30-H170 VanDerWaalsContact OD2-NE2 3.13Å
31R98.7Very high97.7Very high27 Ų2751.6 Ų51.610%0.10231%0.311CS..PPolyproline II helixtrans-60.6142.4172.4-177.9-173.157.781.3-5109.9D38 D89 Y116 L117R31-D38 IonicContact CZ-OD1 3.6Å; R31-D38 IonicContact CZ-OD2 2.83Å; R31-D38 IonicContact NH1-OD1 2.95Å; R31-D38 PolarHBondContact NH1-OD1 2.76Å; R31-D38 IonicContact NH1-OD2 3.37Å; R31-D38 PolarHBondContact NH1-OD2 2.93Å; R31-D38 IonicContact NH2-OD1 3.08Å; R31-D38 IonicContact NH2-OD2 3.15Å; R31-D38 PolarHBondContact NH2-OD2 3.47Å; R31-D89 IonicContact CZ-OD2 3.6Å; R31-D89 IonicContact NE-OD2 3.55Å; R31-D89 PolarHBondContact NE-OD2 3.02Å; R31-D89 IonicContact NH2-OD2 3.46Å; R31-D89 PolarHBondContact NH2-OD2 3.37Å; R31-Y116 VanDerWaalsContact CD-O 3.31Å; R31-Y116 WeakPolarHBondContact CD-O 3.42Å; R31-L117 WeakPolarHBondContact CG-O 3.37Å
32R98.6Very high97.6Very high86 Ų8653.4 Ų53.433%0.32532%0.323SS..PPolyproline II helixtrans-74.5143.8171-58.4-66139.9-168.1-2.4110.5A28 W110 A115 Y116A28-R32 PolarHBondContact O-NH2 3.13Å; R32-W110 HydrophobicContact CB-CZ2 4.37Å; R32-W110 HydrophobicContact CG-CD2 4.26Å; R32-W110 HydrophobicContact CG-CZ2 4.1Å; R32-A115 WeakPolarHBondContact CB-O 3.47Å; R32-A115 HydrophobicContact CG-CB 4.33Å; R32-A115 PolarHBondContact N-O 2.84Å; R32-Y116 HydrophobicContact CB-CD1 3.87Å; R32-Y116 HydrophobicContact CB-CE1 3.86Å
33P98.4Very high97.6Very high90 Ų9050.9 Ų50.958%0.58432%0.319SS*.PPolyproline II helixtrans-53.4142.6170.5-2534.3000111Y116P33-Y116 WeakPolarHBondContact O-CD1 3.17Å; P33-Y116 VanDerWaalsContact O-CE1 3.24Å; P33-Y116 WeakPolarHBondContact O-CE1 3.37Å
34L98.4Very high97.5Very high18 Ų1852.9 Ų52.99%0.09433%0.328CS..PPolyproline II helixtrans-63.6148.5179.4-61.8-175.3000110.9G36 G37 D38 A40 I41 T93 L102 Y116L34-G36 PolarHBondContact O-N 3.08Å; L34-G37 PolarHBondContact O-N 3.15Å; L34-D38 WeakPolarHBondContact CG-OD1 3.14Å; L34-D38 PolarHBondContact N-OD1 3.35Å; L34-A40 HydrophobicContact CD1-CB 4.37Å; L34-I41 HydrophobicContact CD1-CD1 3.96Å; L34-I41 HydrophobicContact CD1-CG1 3.84Å; L34-I41 HydrophobicContact CG-CD1 4.28Å; L34-T93 HydrophobicContact CD2-CG2 4.32Å; L34-L102 HydrophobicContact CD2-CD1 4.41Å; L34-L102 HydrophobicContact CD2-CD2 3.8Å; L34-Y116 HydrophobicContact CD2-CD1 4.48Å; L34-Y116 HydrophobicContact CD2-CG 4.4Å
35P94.9Very high97.4Very high68 Ų6850 Ų5044%0.44231%0.313SS..THydrogen-bonded Turntrans-54.8-29.8-179.2-2834.6000115Y116P35-Y116 HydrophobicContact CG-CD2 4.46Å; P35-Y116 HydrophobicContact CG-CE1 4.19Å; P35-Y116 HydrophobicContact CG-CE2 3.81Å
36G94.4Very high97.3Very high74 Ų7453.8 Ų53.876%0.76333%0.33SS*.THydrogen-bonded Turntrans-102.310.517800000114.6L34L34-G36 PolarHBondContact O-N 3.08Å
37G97.3Very high97.2Very high22 Ų2257 Ų5723%0.22735%0.348CS..  trans90.1154.8-174.700000114.1L34 E39L34-G37 PolarHBondContact O-N 3.15Å; G37-E39 WeakPolarHBondContact CA-OE2 3.45Å; G37-E39 PolarHBondContact O-N 2.88Å
38D98.2Very high96.9Very high51 Ų5156.5 Ų56.527%0.27334%0.336SS..THydrogen-bonded Turntrans-80.31.6-176.9-77.60.9000112.6R31 L34 A40 I41 T42R31-D38 IonicContact CZ-OD1 3.6Å; R31-D38 IonicContact CZ-OD2 2.83Å; R31-D38 IonicContact NH1-OD1 2.95Å; R31-D38 PolarHBondContact NH1-OD1 2.76Å; R31-D38 IonicContact NH1-OD2 3.37Å; R31-D38 PolarHBondContact NH1-OD2 2.93Å; R31-D38 IonicContact NH2-OD1 3.08Å; R31-D38 IonicContact NH2-OD2 3.15Å; R31-D38 PolarHBondContact NH2-OD2 3.47Å; L34-D38 WeakPolarHBondContact CG-OD1 3.14Å; L34-D38 PolarHBondContact N-OD1 3.35Å; D38-A40 PolarHBondContact O-N 2.83Å; D38-I41 HydrophobicContact CB-CD1 4.4Å; D38-I41 WeakPolarHBondContact O-CB 3.36Å; D38-I41 PolarHBondContact O-N 2.95Å; D38-T42 PolarHBondContact O-N 3.31Å
39E97.8Very high96.6Very high137 Ų13756.4 Ų56.464%0.6433%0.328SS*.Hα-helixtrans-56.9-30.4172.2-65.677.5-172.300111.5G37 I41 T42 A43G37-E39 WeakPolarHBondContact CA-OE2 3.45Å; G37-E39 PolarHBondContact O-N 2.88Å; E39-I41 VanDerWaalsContact C-N 3.32Å; E39-I41 PolarHBondContact O-N 2.56Å; E39-T42 WeakPolarHBondContact O-CB 3.3Å; E39-T42 PolarHBondContact O-N 2.82Å; E39-A43 PolarHBondContact O-N 3.25Å
40A97Very high96.4Very high54 Ų5463.7 Ų63.745%0.44636%0.359SS..Hα-helixtrans-60.4-39.8173.300000112.4L34 D38 A43 I44L34-A40 HydrophobicContact CD1-CB 4.37Å; D38-A40 PolarHBondContact O-N 2.83Å; A40-A43 PolarHBondContact O-N 3.27Å; A40-I44 WeakPolarHBondContact O-CG1 3.42Å; A40-I44 PolarHBondContact O-N 2.8Å; A40-I44 VanDerWaalsContact O-N 3.14Å
41I98.1Very high96Very high0 Ų065.3 Ų65.30%038%0.378CS..Hα-helixtrans-67.5-42.8176.2-61.7172.2000109.6L34 D38 E39 A43 I44 W45 R88 T93L34-I41 HydrophobicContact CD1-CD1 3.96Å; L34-I41 HydrophobicContact CD1-CG1 3.84Å; L34-I41 HydrophobicContact CG-CD1 4.28Å; D38-I41 HydrophobicContact CB-CD1 4.4Å; D38-I41 WeakPolarHBondContact O-CB 3.36Å; D38-I41 PolarHBondContact O-N 2.95Å; E39-I41 VanDerWaalsContact C-N 3.32Å; E39-I41 PolarHBondContact O-N 2.56Å; I41-A43 PolarHBondContact O-N 2.64Å; I41-I44 PolarHBondContact O-N 3.12Å; I41-W45 WeakPolarHBondContact O-CB 3.48Å; I41-W45 PolarHBondContact O-N 3.21Å; I41-R88 HydrophobicContact CG2-CG 3.98Å; I41-T93 HydrophobicContact CD1-CG2 3.81Å; I41-T93 HydrophobicContact CG1-CG2 4.25Å
42T97.6Very high95.4Very high48 Ų4867.2 Ų67.229%0.29439%0.388SS..Hα-helixtrans-56.7-48.9174.5-54.20000111.5D38 E39 I44 W45 E46 R88D38-T42 PolarHBondContact O-N 3.31Å; E39-T42 WeakPolarHBondContact O-CB 3.3Å; E39-T42 PolarHBondContact O-N 2.82Å; T42-I44 PolarHBondContact O-N 3Å; T42-W45 PolarHBondContact O-N 2.88Å; T42-E46 HydrophobicContact CG2-CG 4.35Å; T42-E46 WeakPolarHBondContact O-CG 3.37Å; T42-E46 PolarHBondContact O-N 2.98Å; T42-R88 PolarHBondContact OG1-NH2 2.76Å
43A97.2Very high95Very high50 Ų5067.7 Ų67.741%0.41340%0.402SS..Hα-helixtrans-62.3-40.3-178.300000112.7E39 A40 I41 T47E39-A43 PolarHBondContact O-N 3.25Å; A40-A43 PolarHBondContact O-N 3.27Å; I41-A43 PolarHBondContact O-N 2.64Å; A43-T47 WeakPolarHBondContact O-CB 3.34Å; A43-T47 PolarHBondContact O-N 2.63Å; A43-T47 PolarHBondContact O-OG1 3.34Å
44I96.1Very high94.3Very high56 Ų5671.9 Ų71.929%0.28741%0.407SS..Hα-helixtrans-62.7-46.5175-70167.5000110.4A40 I41 T42 T47 R48A40-I44 WeakPolarHBondContact O-CG1 3.42Å; A40-I44 PolarHBondContact O-N 2.8Å; A40-I44 VanDerWaalsContact O-N 3.14Å; I41-I44 PolarHBondContact O-N 3.12Å; T42-I44 PolarHBondContact O-N 3Å; I44-T47 PolarHBondContact O-N 3.32Å; I44-R48 PolarHBondContact O-N 2.9Å
45W95.5Very high93.7Very high29 Ų2972.7 Ų72.711%0.1141%0.411CS..Hα-helixtrans-63-47.3179.9-179.3-112.6000112.7I41 T42 T47 R48 L49 L55 N57 Y87 R88 L91I41-W45 WeakPolarHBondContact O-CB 3.48Å; I41-W45 PolarHBondContact O-N 3.21Å; T42-W45 PolarHBondContact O-N 2.88Å; W45-T47 VanDerWaalsContact C-N 3.3Å; W45-T47 PolarHBondContact O-N 3.36Å; W45-R48 PolarHBondContact O-N 3.05Å; W45-R48 VanDerWaalsContact O-N 3.12Å; W45-L49 HydrophobicContact CD2-CD1 4.42Å; W45-L49 HydrophobicContact CD2-CG 4.28Å; W45-L49 HydrophobicContact CH2-CD2 4.21Å; W45-L49 HydrophobicContact CZ2-CD1 4.01Å; W45-L49 HydrophobicContact CZ2-CD2 3.78Å; W45-L49 HydrophobicContact CZ2-CG 3.95Å; W45-L49 PolarHBondContact O-N 2.98Å; W45-L55 HydrophobicContact CH2-CB 4.08Å; W45-N57 HydrophobicContact CH2-CB 4.47Å; W45-N57 HydrophobicContact CZ2-CB 4.14Å; W45-Y87 HydrophobicContact CH2-CD1 4.42Å; W45-Y87 HydrophobicContact CZ3-CD1 4.18Å; W45-Y87 HydrophobicContact CZ3-CE1 4.32Å; W45-R88 HydrophobicContact CB-CG 3.91Å; W45-R88 HydrophobicContact CD2-CB 4.1Å; W45-R88 HydrophobicContact CD2-CG 4Å; W45-R88 HydrophobicContact CE3-CB 4.14Å; W45-R88 HydrophobicContact CE3-CG 4.34Å; W45-R88 HydrophobicContact CG-CB 4.43Å; W45-R88 HydrophobicContact CG-CG 3.8Å; W45-L91 HydrophobicContact CE3-CD1 4.09Å; W45-L91 HydrophobicContact CZ3-CD1 3.84Å
46E96.3Very high93.4Very high103 Ų10376.6 Ų76.648%0.48142%0.421SS..Hα-helixtrans-60.4-40.7176.7-73.6-175.6-177.100112.2T42 R48 L49 K50T42-E46 HydrophobicContact CG2-CG 4.35Å; T42-E46 WeakPolarHBondContact O-CG 3.37Å; T42-E46 PolarHBondContact O-N 2.98Å; E46-R48 VanDerWaalsContact C-N 3.31Å; E46-R48 PolarHBondContact O-N 3.18Å; E46-L49 PolarHBondContact O-N 2.68Å; E46-K50 WeakPolarHBondContact O-CG 3.49Å; E46-K50 PolarHBondContact O-N 2.82Å; E46-K50 VanDerWaalsContact O-N 3.09Å
47T95.4Very high93.3Very high96 Ų9676.5 Ų76.559%0.58940%0.403SS*.Hα-helixtrans-62.7-41.2175.7-59.30000110.9A43 I44 W45 K50 A51A43-T47 WeakPolarHBondContact O-CB 3.34Å; A43-T47 PolarHBondContact O-N 2.63Å; A43-T47 PolarHBondContact O-OG1 3.34Å; I44-T47 PolarHBondContact O-N 3.32Å; W45-T47 VanDerWaalsContact C-N 3.3Å; W45-T47 PolarHBondContact O-N 3.36Å; T47-K50 PolarHBondContact O-N 3.34Å; T47-A51 PolarHBondContact O-N 3.3Å
48R90.5Very high93.1Very high68 Ų6875.6 Ų75.626%0.25739%0.394SS..Hα-helixtrans-67.7-44.6178.5-17364.36690.15.1112I44 W45 E46 K50 A51 Q52 L55I44-R48 PolarHBondContact O-N 2.9Å; W45-R48 PolarHBondContact O-N 3.05Å; W45-R48 VanDerWaalsContact O-N 3.12Å; E46-R48 VanDerWaalsContact C-N 3.31Å; E46-R48 PolarHBondContact O-N 3.18Å; R48-K50 VanDerWaalsContact C-N 3.28Å; R48-K50 PolarHBondContact O-N 2.73Å; R48-A51 PolarHBondContact O-N 3.26Å; R48-Q52 PolarHBondContact O-N 2.85Å; R48-L55 HydrophobicContact CG-CD1 3.43Å; R48-L55 VanDerWaalsContact CG-CD1 3.43Å
49L91.3Very high92.9Very high54 Ų5474.4 Ų74.428%0.28339%0.388SS..Hα-helixtrans-61.6-34.2177-76.9-179000112.8W45 E46 A51 Q52 P53 L55W45-L49 HydrophobicContact CD2-CD1 4.42Å; W45-L49 HydrophobicContact CD2-CG 4.28Å; W45-L49 HydrophobicContact CH2-CD2 4.21Å; W45-L49 HydrophobicContact CZ2-CD1 4.01Å; W45-L49 HydrophobicContact CZ2-CD2 3.78Å; W45-L49 HydrophobicContact CZ2-CG 3.95Å; W45-L49 PolarHBondContact O-N 2.98Å; E46-L49 PolarHBondContact O-N 2.68Å; L49-A51 VanDerWaalsContact C-N 3.26Å; L49-A51 PolarHBondContact O-N 2.94Å; L49-Q52 CarbonylContact O-C 3.39Å; L49-Q52 PolarHBondContact O-N 3Å; L49-P53 WeakPolarHBondContact O-CA 3.31Å; L49-P53 VanDerWaalsContact O-N 3.13Å; L49-L55 HydrophobicContact CD2-CB 4.05Å; L49-L55 WeakPolarHBondContact CD2-O 3.47Å
50K94.4Very high92.8Very high169 Ų16969 Ų6974%0.73536%0.363SS*.Hα-helixtrans-62.1-33.6173.3-74.2168.9-175168.80112.6E46 T47 R48E46-K50 WeakPolarHBondContact O-CG 3.49Å; E46-K50 PolarHBondContact O-N 2.82Å; E46-K50 VanDerWaalsContact O-N 3.09Å; T47-K50 PolarHBondContact O-N 3.34Å; R48-K50 VanDerWaalsContact C-N 3.28Å; R48-K50 PolarHBondContact O-N 2.73Å
51A89.9Confident92.9Very high71 Ų7166.4 Ų66.459%0.58734%0.342SS*.Hα-helixtrans-87.1-33.2178.200000113.1T47 R48 L49T47-A51 PolarHBondContact O-N 3.3Å; R48-A51 PolarHBondContact O-N 3.26Å; L49-A51 VanDerWaalsContact C-N 3.26Å; L49-A51 PolarHBondContact O-N 2.94Å
52Q86.9Confident92.9Very high67 Ų6766.6 Ų66.631%0.31334%0.342SS..  trans-136.474.7-174.1-62.1-176.6-50.900109.7R48 L49 W54 L55R48-Q52 PolarHBondContact O-N 2.85Å; L49-Q52 CarbonylContact O-C 3.39Å; L49-Q52 PolarHBondContact O-N 3Å; Q52-W54 HydrophobicContact CB-CD2 4.37Å; Q52-W54 HydrophobicContact CB-CH2 4.05Å; Q52-W54 HydrophobicContact CB-CZ2 3.75Å; Q52-W54 HydrophobicContact CB-CZ3 4.47Å; Q52-W54 HydrophobicContact CG-CH2 3.88Å; Q52-W54 HydrophobicContact CG-CZ2 3.65Å; Q52-W54 PolarHBondContact O-N 2.89Å; Q52-W54 VanDerWaalsContact O-N 3.12Å; Q52-L55 HydrophobicContact CB-CD1 3.73Å; Q52-L55 HydrophobicContact CB-CG 3.9Å; Q52-L55 WeakPolarHBondContact O-CG 3.45Å; Q52-L55 PolarHBondContact O-N 3.36Å; Q52-L55 VanDerWaalsContact O-N 3.15Å
53P88.5Confident93Very high97 Ų9764.8 Ų64.863%0.6333%0.331SS*.THydrogen-bonded Turntrans-68.8-10.7-171.527-36.6000114.4L49 L55L49-P53 WeakPolarHBondContact O-CA 3.31Å; L49-P53 VanDerWaalsContact O-N 3.13Å; P53-L55 VanDerWaalsContact C-N 3.33Å
54W84.4Confident93.1Very high178 Ų17866 Ų6667%0.67433%0.328SS*.THydrogen-bonded Turntrans-82.5-8175.759.785.8000113.6Q52Q52-W54 HydrophobicContact CB-CD2 4.37Å; Q52-W54 HydrophobicContact CB-CH2 4.05Å; Q52-W54 HydrophobicContact CB-CZ2 3.75Å; Q52-W54 HydrophobicContact CB-CZ3 4.47Å; Q52-W54 HydrophobicContact CG-CH2 3.88Å; Q52-W54 HydrophobicContact CG-CZ2 3.65Å; Q52-W54 PolarHBondContact O-N 2.89Å; Q52-W54 VanDerWaalsContact O-N 3.12Å
55L85.6Confident93.2Very high35 Ų3564.9 Ų64.918%0.18333%0.325CS..  trans-68140.7175.2-68173.4000110.6W45 R48 L49 Q52 P53W45-L55 HydrophobicContact CH2-CB 4.08Å; R48-L55 HydrophobicContact CG-CD1 3.43Å; R48-L55 VanDerWaalsContact CG-CD1 3.43Å; L49-L55 HydrophobicContact CD2-CB 4.05Å; L49-L55 WeakPolarHBondContact CD2-O 3.47Å; Q52-L55 HydrophobicContact CB-CD1 3.73Å; Q52-L55 HydrophobicContact CB-CG 3.9Å; Q52-L55 WeakPolarHBondContact O-CG 3.45Å; Q52-L55 PolarHBondContact O-N 3.36Å; Q52-L55 VanDerWaalsContact O-N 3.15Å; P53-L55 VanDerWaalsContact C-N 3.33Å
56F88.5Confident93.3Very high149 Ų14964.5 Ų64.565%0.65433%0.328SS*.  trans-123.1154.7172.861-86.5000109.9A58F56-A58 HydrophobicContact CE2-CB 4.46Å
57N92.9Very high93.4Very high72 Ų7262.8 Ų62.839%0.38533%0.325SS..  trans-87.5148.4173.2-168.623.2000109.5W45 S86 Y87 R88W45-N57 HydrophobicContact CH2-CB 4.47Å; W45-N57 HydrophobicContact CZ2-CB 4.14Å; N57-S86 WeakPolarHBondContact OD1-CB 3.26Å; N57-Y87 PolarHBondContact OD1-N 3.21Å; N57-R88 HydrophobicContact CB-CB 4.47Å; N57-R88 WeakPolarHBondContact OD1-CB 3.43Å; N57-R88 PolarHBondContact OD1-N 3.01Å
58A92.4Very high93.5Very high4 Ų461.2 Ų61.23%0.03331%0.312CS..  trans-139.7141.617500000110.2F56 S86 Y87 E158F56-A58 HydrophobicContact CE2-CB 4.46Å; A58-S86 VanDerWaalsContact O-CA 3.29Å; A58-S86 WeakPolarHBondContact O-CA 3.39Å; A58-Y87 PolarHBondContact O-N 2.77Å; A58-E158 WeakPolarHBondContact CB-OE1 3.12Å
59P94.6Very high93.7Very high25 Ų2559.2 Ų59.216%0.16231%0.31CS..EExtended strand (participates in β ladder)trans-70.2146.6173.731.1-34.3000110.3T85 P159 Q160 P168P59-T85 WeakPolarHBondContact CA-O 3.36Å; P59-P159 HydrophobicContact CB-CG 4.47Å; P59-P159 WeakPolarHBondContact O-CD 3.18Å; P59-Q160 HydrophobicContact CG-CB 4.18Å; P59-Q160 HydrophobicContact CG-CG 4.4Å; P59-P168 HydrophobicContact CB-CG 3.6Å; P59-P168 HydrophobicContact CG-CG 3.75Å
60K96.7Very high93.7Very high24 Ų2461.5 Ų61.510%0.10433%0.329CS..EExtended strand (participates in β ladder)trans-137.1155.6177.9-58.3-63.9-176.2-1740110T85 P120 H156 E158K60-T85 HydrophobicContact CB-CG2 3.89Å; K60-T85 PolarHBondContact N-O 3.09Å; K60-T85 PolarHBondContact O-N 2.95Å; K60-P120 HydrophobicContact CB-CB 3.95Å; K60-P120 HydrophobicContact CG-CB 4.26Å; K60-H156 HydrophobicContact CD-CB 3.97Å; K60-H156 PolarHBondContact NZ-O 3.18Å; K60-E158 HydrophobicContact CD-CG 4.24Å; K60-E158 IonicContact NZ-OE1 3.75Å; K60-E158 PolarHBondContact NZ-OE1 3.21Å
61F98.1Very high93.2Very high0 Ų061 Ų610%033%0.332CS..EExtended strand (participates in β ladder)trans-73.1139.4167.3-64.7-71.6000110.3L25 L84 P120 L121 P157 P159 L162 L173 V178 E181 L182L25-F61 HydrophobicContact CD1-CD1 4.17Å; L25-F61 HydrophobicContact CD1-CE1 4.44Å; F61-L84 HydrophobicContact CD1-CD2 4.11Å; F61-L84 HydrophobicContact CE1-CD2 4.34Å; F61-P120 CarbonylContact O-C 3.53Å; F61-P120 WeakPolarHBondContact O-CA 3.41Å; F61-L121 HydrophobicContact CB-CB 4.43Å; F61-L121 PolarHBondContact O-N 3.3Å; F61-P157 HydrophobicContact CD2-CB 4.42Å; F61-P157 HydrophobicContact CD2-CG 4.37Å; F61-P159 HydrophobicContact CD1-CG 3.94Å; F61-P159 HydrophobicContact CD2-CG 4.02Å; F61-P159 HydrophobicContact CE1-CB 3.84Å; F61-P159 HydrophobicContact CE1-CG 3.73Å; F61-P159 HydrophobicContact CE2-CB 4.13Å; F61-P159 HydrophobicContact CE2-CG 3.82Å; F61-P159 HydrophobicContact CG-CG 4.08Å; F61-P159 HydrophobicContact CZ-CB 3.61Å; F61-P159 HydrophobicContact CZ-CG 3.67Å; F61-L162 HydrophobicContact CZ-CD1 4.34Å; F61-L173 HydrophobicContact CE1-CD1 4.36Å; F61-V178 HydrophobicContact CD1-CG1 4.1Å; F61-V178 HydrophobicContact CE1-CB 4.37Å; F61-V178 HydrophobicContact CE1-CG1 3.7Å; F61-V178 HydrophobicContact CE1-CG2 3.87Å; F61-V178 HydrophobicContact CZ-CG1 3.99Å; F61-V178 HydrophobicContact CZ-CG2 4.26Å; F61-E181 HydrophobicContact CE2-CG 4.01Å; F61-E181 HydrophobicContact CZ-CG 4.47Å; F61-L182 HydrophobicContact CD2-CD2 4.16Å
62R98.7Very high92.7Very high4 Ų461.2 Ų61.22%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-102.4127.9172.1176.9173.2-173.9-78.6-4.7109.8H29 H64 L82 G83 T85 Q114 L117 A118 D119H29-R62 PolarHBondContact O-NH1 3.18Å; R62-H64 PolarHBondContact O-N 3.39Å; R62-L82 CarbonylContact O-C 3.55Å; R62-L82 VanDerWaalsContact O-CA 3.25Å; R62-L82 WeakPolarHBondContact O-CA 3.28Å; R62-G83 PolarHBondContact N-O 3.42Å; R62-G83 PolarHBondContact O-N 3.03Å; R62-T85 HydrophobicContact CB-CG2 4.02Å; R62-Q114 PolarHBondContact NH2-O 3.03Å; R62-L117 PolarHBondContact NE-O 2.96Å; R62-L117 VanDerWaalsContact NE-O 3.09Å; R62-L117 PolarHBondContact NH2-O 3.06Å; R62-A118 VanDerWaalsContact CD-O 3.28Å; R62-A118 WeakPolarHBondContact CD-O 3.47Å; R62-A118 WeakPolarHBondContact CG-O 3.46Å; R62-D119 WeakPolarHBondContact CA-O 3.49Å; R62-D119 HydrophobicContact CG-CB 4.42Å
63L98.8Very high92.7Very high10 Ų1060.1 Ų60.15%0.05234%0.341CS..EExtended strand (participates in β ladder)trans-82.8117.5171.1-17866.5000110.3L8 L82 D119 L121 I209 A219L8-L63 HydrophobicContact CD2-CD2 3.73Å; L63-L82 HydrophobicContact CB-CD2 4.5Å; L63-L82 HydrophobicContact CD1-CD2 3.79Å; L63-D119 PolarHBondContact N-O 2.95Å; L63-L121 HydrophobicContact CB-CB 4.35Å; L63-L121 HydrophobicContact CB-CD1 4.25Å; L63-L121 HydrophobicContact CD2-CD1 4.33Å; L63-I209 HydrophobicContact CD2-CD1 4.18Å; L63-I209 HydrophobicContact CD2-CG2 3.83Å; L63-A219 HydrophobicContact CD2-CB 3.5Å
64H98.8Very high92.7Very high75 Ų7567.4 Ų67.435%0.34736%0.356SS..EExtended strand (participates in β ladder)trans-91-54.5170.1174.3-78000111H29 R62 R81H29-H64 HydrophobicContact CB-CB 3.72Å; H29-H64 AromaticContact CD2-CG 3.98Å; R62-H64 PolarHBondContact O-N 3.39Å; H64-R81 HydrophobicContact CB-CB 4.38Å; H64-R81 WeakPolarHBondContact CB-O 3.36Å; H64-R81 PolarHBondContact N-O 3.39Å
65S98.6Very high93Very high32 Ų3261.2 Ų61.222%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-159.6165.1177.2610000112.4R81S65-R81 PolarHBondContact N-O 3.04Å; S65-R81 PolarHBondContact O-N 2.98Å
66A98.4Very high93.3Very high21 Ų2162.2 Ų62.217%0.17436%0.355CS..EExtended strand (participates in β ladder)trans-132.8137173.800000109.2L9 L78 L79 L80 I209L9-A66 HydrophobicContact CD2-CB 4.29Å; A66-L78 HydrophobicContact CB-CD1 4.19Å; A66-L79 WeakPolarHBondContact CA-O 3.49Å; A66-L80 HydrophobicContact CB-CD2 3.86Å; A66-I209 HydrophobicContact CB-CD1 3.72Å
67T98.3Very high93.7Very high68 Ų6856 Ų5642%0.41733%0.329SS..EExtended strand (participates in β ladder)trans-132.1119.8-178.4-51.90000110.3L78 L79 R81T67-L78 WeakPolarHBondContact O-CD1 3.19Å; T67-L79 PolarHBondContact N-O 3.38Å; T67-L79 PolarHBondContact O-N 3Å; T67-R81 PolarHBondContact OG1-NH1 3.33Å
68L97.4Very high93.9Very high62 Ų6252.7 Ų52.733%0.32531%0.311SS..EExtended strand (participates in β ladder)trans-77.8141.8171.7-74.8168.4000110.7L9 Q10 L16 Q77 L78L9-L68 HydrophobicContact CD1-CD1 3.67Å; L9-L68 HydrophobicContact CD1-CD2 4.36Å; L9-L68 HydrophobicContact CD1-CG 3.59Å; L9-L68 HydrophobicContact CG-CD1 4.42Å; L9-L68 HydrophobicContact CG-CG 4.47Å; Q10-L68 WeakPolarHBondContact O-CD1 3.5Å; L16-L68 HydrophobicContact CD1-CD2 4.11Å; L68-Q77 WeakPolarHBondContact CA-O 3.18Å; L68-Q77 WeakPolarHBondContact CD2-O 3.37Å; L68-L78 HydrophobicContact CD2-CB 4.31Å; L68-L78 HydrophobicContact CD2-CD1 4.12Å; L68-L78 HydrophobicContact CG-CD1 4.45Å
69A95.1Very high94.2Very high27 Ų2754.8 Ų54.822%0.22332%0.321CS..PPolyproline II helixtrans-67.4158.4165.100000110.5I71 S73 Q77A69-I71 PolarHBondContact O-N 3.34Å; A69-S73 WeakPolarHBondContact CB-OG 3.42Å; A69-Q77 PolarHBondContact N-O 3.23Å
70P91.3Very high94.4Very high102 Ų10254 Ų5466%0.66232%0.316SS*.PPolyproline II helixtrans-53.2138172.3-25.334.6000111.7G72 S73P70-G72 PolarHBondContact O-N 3.4Å; P70-S73 VanDerWaalsContact O-CB 3.3Å; P70-S73 WeakPolarHBondContact O-CB 3.44Å; P70-S73 PolarHBondContact O-N 2.98Å; P70-S73 VanDerWaalsContact O-N 3.11Å; P70-S73 PolarHBondContact O-OG 3.46Å
71I84.1Confident94.5Very high158 Ų15856 Ų5681%0.8132%0.323SS*.THydrogen-bonded Turntrans-59.1130-179.2-60.8174000109.6A69 S73A69-I71 PolarHBondContact O-N 3.34Å; I71-S73 VanDerWaalsContact C-N 3.34Å
72G78.6Confident94.6Very high75 Ų7556 Ų5677%0.77332%0.323SS*.THydrogen-bonded Turntrans83.33.4-179.900000115.3P70P70-G72 PolarHBondContact O-N 3.4Å
73S87.5Confident94.5Very high44 Ų4455.9 Ų55.931%0.30832%0.322SS..  trans-64.1157.6168.854.30000111.8A69 P70 I71 Q77A69-S73 WeakPolarHBondContact CB-OG 3.42Å; P70-S73 VanDerWaalsContact O-CB 3.3Å; P70-S73 WeakPolarHBondContact O-CB 3.44Å; P70-S73 PolarHBondContact O-N 2.98Å; P70-S73 VanDerWaalsContact O-N 3.11Å; P70-S73 PolarHBondContact O-OG 3.46Å; I71-S73 VanDerWaalsContact C-N 3.34Å; S73-Q77 PolarHBondContact O-OE1 3.44Å; S73-Q77 VanDerWaalsContact O-OE1 3.05Å
74R87.7Confident94.5Very high251 Ų25156.6 Ų56.695%0.94733%0.326SS*.SBendtrans-94.4144170.6-60.7-150.4-143.8-164.18.7109.7
75G90.6Very high94.5Very high47 Ų4753.7 Ų53.749%0.48531%0.313SS..SBendtrans108.1-156.417500000112.2Q77G75-Q77 PolarHBondContact O-N 3.37Å; G75-Q77 PolarHBondContact O-OE1 2.95Å; G75-Q77 VanDerWaalsContact O-OE1 3.12Å
76P92Very high94.4Very high56 Ų5652.9 Ų52.936%0.36431%0.308SS..  trans-59.3131.3175.4-2030.2000111.5Q22Q22-P76 HydrophobicContact CG-CB 3.8Å; Q22-P76 HydrophobicContact CG-CG 3.93Å
77Q97Very high94.2Very high20 Ų2055 Ų559%0.09331%0.312CS..  trans-95.2-15.9-177-64-54.4125.100113.2L16 Q20 L68 A69 S73 G75L16-Q77 HydrophobicContact CD1-CB 3.93Å; L16-Q77 HydrophobicContact CD2-CB 3.74Å; L16-Q77 HydrophobicContact CD2-CG 4.15Å; Q20-Q77 HydrophobicContact CB-CB 4.27Å; Q20-Q77 HydrophobicContact CB-CG 4.21Å; Q20-Q77 HydrophobicContact CG-CG 4.43Å; Q20-Q77 PolarHBondContact O-N 3.31Å; Q20-Q77 VanDerWaalsContact OE1-CG 3.29Å; L68-Q77 WeakPolarHBondContact CA-O 3.18Å; L68-Q77 WeakPolarHBondContact CD2-O 3.37Å; A69-Q77 PolarHBondContact N-O 3.23Å; S73-Q77 PolarHBondContact O-OE1 3.44Å; S73-Q77 VanDerWaalsContact O-OE1 3.05Å; G75-Q77 PolarHBondContact O-N 3.37Å; G75-Q77 PolarHBondContact O-OE1 2.95Å; G75-Q77 VanDerWaalsContact O-OE1 3.12Å
78L98.3Very high94.1Very high2 Ų254.5 Ų54.51%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-142.1132.5-177.4177.959.5000111.2L9 L16 Q20 V21 Q22 A66 T67 L68 L80 L206L9-L78 HydrophobicContact CD1-CD1 4.46Å; L9-L78 HydrophobicContact CD2-CD1 3.73Å; L9-L78 HydrophobicContact CD2-CD2 3.82Å; L9-L78 HydrophobicContact CD2-CG 4.46Å; L16-L78 HydrophobicContact CD1-CB 3.61Å; L16-L78 HydrophobicContact CD1-CD2 4.18Å; Q20-L78 PolarHBondContact O-N 3.43Å; V21-L78 HydrophobicContact CG1-CB 4.44Å; V21-L78 HydrophobicContact CG1-CD2 4.12Å; V21-L78 HydrophobicContact CG1-CG 4.31Å; V21-L78 HydrophobicContact CG2-CB 4.39Å; V21-L78 HydrophobicContact CG2-CD2 4.26Å; Q22-L78 PolarHBondContact N-O 3.14Å; A66-L78 HydrophobicContact CB-CD1 4.19Å; T67-L78 WeakPolarHBondContact O-CD1 3.19Å; L68-L78 HydrophobicContact CD2-CB 4.31Å; L68-L78 HydrophobicContact CD2-CD1 4.12Å; L68-L78 HydrophobicContact CG-CD1 4.45Å; L78-L80 HydrophobicContact CD1-CD2 4.3Å; L78-L80 HydrophobicContact CD2-CD2 3.92Å; L78-L80 HydrophobicContact CD2-CG 4.32Å; L78-L80 HydrophobicContact CG-CD2 4.07Å; L78-L80 HydrophobicContact CG-CG 4.31Å; L78-L206 HydrophobicContact CD2-CD2 3.4Å
79L98.5Very high94.2Very high47 Ų4752.6 Ų52.625%0.24629%0.292CS..EExtended strand (participates in β ladder)trans-109.7119.5166.1177.462.3000110Q22 E24 A66 T67Q22-L79 HydrophobicContact CB-CD1 4.13Å; Q22-L79 WeakPolarHBondContact O-CA 3.46Å; E24-L79 HydrophobicContact CB-CD1 4.12Å; A66-L79 WeakPolarHBondContact CA-O 3.49Å; T67-L79 PolarHBondContact N-O 3.38Å; T67-L79 PolarHBondContact O-N 3Å
80L98.8Very high94.3Very high9 Ų952.1 Ų52.15%0.04729%0.285CS..EExtended strand (participates in β ladder)trans-93.9124.4170.4-61.2179000109.6V21 Q22 A23 E24 A66 L78 L82 L182 I209V21-L80 HydrophobicContact CG1-CD1 3.8Å; V21-L80 HydrophobicContact CG1-CG 4.03Å; Q22-L80 PolarHBondContact O-N 3.04Å; A23-L80 CarbonylContact C-O 3.31Å; A23-L80 VanDerWaalsContact CA-O 3.31Å; A23-L80 WeakPolarHBondContact CA-O 3.36Å; A23-L80 HydrophobicContact CB-CB 4.37Å; E24-L80 PolarHBondContact N-O 3.45Å; A66-L80 HydrophobicContact CB-CD2 3.86Å; L78-L80 HydrophobicContact CD1-CD2 4.3Å; L78-L80 HydrophobicContact CD2-CD2 3.92Å; L78-L80 HydrophobicContact CD2-CG 4.32Å; L78-L80 HydrophobicContact CG-CD2 4.07Å; L78-L80 HydrophobicContact CG-CG 4.31Å; L80-L82 HydrophobicContact CB-CD1 4.37Å; L80-L82 HydrophobicContact CB-CD2 4.42Å; L80-L82 HydrophobicContact CB-CG 4.19Å; L80-L182 HydrophobicContact CD1-CD1 3.99Å; L80-I209 HydrophobicContact CD2-CD1 4.02Å
81R98.8Very high94.5Very high67 Ų6747.6 Ų47.625%0.25326%0.255SS..EExtended strand (participates in β ladder)trans-100.1113.7171.7-68.5-169-174.381.6-1.8109E24 H64 S65 T67E24-R81 IonicContact OE2-NE 3.47Å; E24-R81 PolarHBondContact OE2-NE 2.91Å; H64-R81 HydrophobicContact CB-CB 4.38Å; H64-R81 WeakPolarHBondContact CB-O 3.36Å; H64-R81 PolarHBondContact N-O 3.39Å; S65-R81 PolarHBondContact N-O 3.04Å; S65-R81 PolarHBondContact O-N 2.98Å; T67-R81 PolarHBondContact OG1-NH1 3.33Å
82L98.7Very high95.2Very high0 Ų040.2 Ų40.20%022%0.219CC..EExtended strand (participates in β ladder)trans-121.6144.2-171.3-57.9176.5000110.5A23 E24 L25 S26 H29 R62 L63 L80 L121 V178 L182A23-L82 HydrophobicContact CB-CD1 4.14Å; E24-L82 PolarHBondContact O-N 3.19Å; L25-L82 WeakPolarHBondContact CA-O 3.27Å; L25-L82 HydrophobicContact CD1-CB 3.83Å; S26-L82 PolarHBondContact N-O 2.68Å; H29-L82 VanDerWaalsContact CB-C 3.44Å; H29-L82 VanDerWaalsContact CB-O 3.27Å; H29-L82 WeakPolarHBondContact CB-O 3.41Å; H29-L82 PolarHBondContact ND1-O 3.37Å; H29-L82 VanDerWaalsContact ND1-O 3.13Å; R62-L82 CarbonylContact O-C 3.55Å; R62-L82 VanDerWaalsContact O-CA 3.25Å; R62-L82 WeakPolarHBondContact O-CA 3.28Å; L63-L82 HydrophobicContact CB-CD2 4.5Å; L63-L82 HydrophobicContact CD1-CD2 3.79Å; L80-L82 HydrophobicContact CB-CD1 4.37Å; L80-L82 HydrophobicContact CB-CD2 4.42Å; L80-L82 HydrophobicContact CB-CG 4.19Å; L82-L121 HydrophobicContact CD2-CD2 4.01Å; L82-V178 HydrophobicContact CD1-CG1 3.48Å; L82-V178 VanDerWaalsContact CD1-CG1 3.48Å; L82-L182 HydrophobicContact CD1-CD1 4.24Å
83G98.3Very high96.1Very high0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-115.8-167.6164.900000110.7D30 R62D30-G83 WeakPolarHBondContact OD1-CA 3.34Å; R62-G83 PolarHBondContact N-O 3.42Å; R62-G83 PolarHBondContact O-N 3.03Å
84L97.6Very high96.6Very high25 Ų2534.9 Ų34.913%0.13117%0.169CC..EExtended strand (participates in β ladder)trans-114.9148.4171.6-64.4178.2000110.3L25 D30 F61 P159 P168 L173L25-L84 HydrophobicContact CD1-CD2 4.12Å; L25-L84 HydrophobicContact CD1-CG 4.31Å; L25-L84 HydrophobicContact CD2-CD2 4.46Å; D30-L84 PolarHBondContact OD1-N 3.22Å; F61-L84 HydrophobicContact CD1-CD2 4.11Å; F61-L84 HydrophobicContact CE1-CD2 4.34Å; L84-P159 HydrophobicContact CD2-CB 4.24Å; L84-P159 HydrophobicContact CD2-CG 3.77Å; L84-P168 WeakPolarHBondContact CD1-O 3.42Å; L84-L173 HydrophobicContact CD2-CD1 4.47Å
85T98.1Very high97Very high14 Ų1427.6 Ų27.69%0.08614%0.141CC..EExtended strand (participates in β ladder)trans-150.3-171.8176.4-166.90000109.5P59 K60 R62 A118 P120P59-T85 WeakPolarHBondContact CA-O 3.36Å; K60-T85 HydrophobicContact CB-CG2 3.89Å; K60-T85 PolarHBondContact N-O 3.09Å; K60-T85 PolarHBondContact O-N 2.95Å; R62-T85 HydrophobicContact CB-CG2 4.02Å; T85-A118 WeakPolarHBondContact CB-O 3.32Å; T85-A118 WeakPolarHBondContact CG2-O 3.36Å; T85-A118 VanDerWaalsContact OG1-CB 3.31Å; T85-A118 WeakPolarHBondContact OG1-CB 3.27Å; T85-A118 PolarHBondContact OG1-O 2.93Å; T85-P120 HydrophobicContact CG2-CB 4.04Å
86S96.8Very high97.2Very high15 Ų1526.5 Ų26.511%0.10513%0.126CC..EExtended strand (participates in β ladder)trans-145.2162.4178.672.50000113.2N57 A58 R88 D89 F90N57-S86 WeakPolarHBondContact OD1-CB 3.26Å; A58-S86 VanDerWaalsContact O-CA 3.29Å; A58-S86 WeakPolarHBondContact O-CA 3.39Å; S86-R88 PolarHBondContact O-N 3.19Å; S86-D89 PolarHBondContact O-N 3.29Å; S86-D89 PolarHBondContact OG-N 3.43Å; S86-D89 PolarHBondContact OG-OD1 3.28Å; S86-F90 PolarHBondContact O-N 3.49Å
87Y95.2Very high97.4Very high66 Ų6630 Ų3026%0.25915%0.152SC..Hα-helixtrans-57.9-38.9173.3-176.7-117.7000112.2W45 N57 A58 D89 F90 L91W45-Y87 HydrophobicContact CH2-CD1 4.42Å; W45-Y87 HydrophobicContact CZ3-CD1 4.18Å; W45-Y87 HydrophobicContact CZ3-CE1 4.32Å; N57-Y87 PolarHBondContact OD1-N 3.21Å; A58-Y87 PolarHBondContact O-N 2.77Å; Y87-D89 PolarHBondContact O-N 3.38Å; Y87-F90 HydrophobicContact CD2-CD1 4.15Å; Y87-F90 HydrophobicContact CE2-CD1 4.12Å; Y87-F90 HydrophobicContact CE2-CE1 4.47Å; Y87-F90 WeakPolarHBondContact O-CB 3.31Å; Y87-F90 PolarHBondContact O-N 3.14Å; Y87-L91 HydrophobicContact CD1-CD1 4.23Å; Y87-L91 HydrophobicContact CE1-CD1 3.66Å; Y87-L91 HydrophobicContact CE1-CG 4.26Å; Y87-L91 HydrophobicContact CE2-CD2 4.42Å; Y87-L91 HydrophobicContact CE2-CG 4.32Å; Y87-L91 PolarHBondContact O-N 3.4Å
88R96.5Very high97.4Very high58 Ų5831.9 Ų31.922%0.21917%0.167CC..Hα-helixtrans-57.6-48.4173.1167.9173.2169.2-87.35.7112.1I41 T42 W45 N57 S86 F90 L91 G92I41-R88 HydrophobicContact CG2-CG 3.98Å; T42-R88 PolarHBondContact OG1-NH2 2.76Å; W45-R88 HydrophobicContact CB-CG 3.91Å; W45-R88 HydrophobicContact CD2-CB 4.1Å; W45-R88 HydrophobicContact CD2-CG 4Å; W45-R88 HydrophobicContact CE3-CB 4.14Å; W45-R88 HydrophobicContact CE3-CG 4.34Å; W45-R88 HydrophobicContact CG-CB 4.43Å; W45-R88 HydrophobicContact CG-CG 3.8Å; N57-R88 HydrophobicContact CB-CB 4.47Å; N57-R88 WeakPolarHBondContact OD1-CB 3.43Å; N57-R88 PolarHBondContact OD1-N 3.01Å; S86-R88 PolarHBondContact O-N 3.19Å; R88-F90 VanDerWaalsContact C-N 3.34Å; R88-F90 PolarHBondContact O-N 3.2Å; R88-L91 PolarHBondContact O-N 3.38Å; R88-G92 PolarHBondContact O-N 3.31Å
89D98.3Very high97.4Very high22 Ų2232.3 Ų32.312%0.11817%0.171CC..Hα-helixtrans-67-37.3-179.1-81.333.1000111.5R31 S86 Y87 G92 T93 A118R31-D89 IonicContact CZ-OD2 3.6Å; R31-D89 IonicContact NE-OD2 3.55Å; R31-D89 PolarHBondContact NE-OD2 3.02Å; R31-D89 IonicContact NH2-OD2 3.46Å; R31-D89 PolarHBondContact NH2-OD2 3.37Å; S86-D89 PolarHBondContact O-N 3.29Å; S86-D89 PolarHBondContact OG-N 3.43Å; S86-D89 PolarHBondContact OG-OD1 3.28Å; Y87-D89 PolarHBondContact O-N 3.38Å; D89-G92 PolarHBondContact O-N 2.92Å; D89-T93 WeakPolarHBondContact O-CB 3.36Å; D89-T93 WeakPolarHBondContact O-CG2 3.46Å; D89-T93 PolarHBondContact O-N 3.49Å; D89-T93 PolarHBondContact O-OG1 2.9Å; D89-A118 HydrophobicContact CB-CB 3.96Å
90F97.9Very high97.4Very high16 Ų1633.7 Ų33.77%0.0719%0.189CC..Hα-helixtrans-57.5-48.9172.1165.6-102.9000111.9S86 Y87 R88 G92 T93 N94 W95 A118 P120S86-F90 PolarHBondContact O-N 3.49Å; Y87-F90 HydrophobicContact CD2-CD1 4.15Å; Y87-F90 HydrophobicContact CE2-CD1 4.12Å; Y87-F90 HydrophobicContact CE2-CE1 4.47Å; Y87-F90 WeakPolarHBondContact O-CB 3.31Å; Y87-F90 PolarHBondContact O-N 3.14Å; R88-F90 VanDerWaalsContact C-N 3.34Å; R88-F90 PolarHBondContact O-N 3.2Å; F90-G92 VanDerWaalsContact C-N 3.28Å; F90-G92 PolarHBondContact O-N 3.33Å; F90-T93 PolarHBondContact O-N 3.11Å; F90-N94 HydrophobicContact CD2-CB 3.48Å; F90-N94 VanDerWaalsContact CD2-CB 3.48Å; F90-N94 HydrophobicContact CE2-CB 3.53Å; F90-N94 PolarHBondContact O-N 2.87Å; F90-N94 VanDerWaalsContact O-N 3.11Å; F90-W95 HydrophobicContact CE1-CB 4.2Å; F90-W95 HydrophobicContact CE1-CE3 4.49Å; F90-W95 HydrophobicContact CZ-CB 4.2Å; F90-W95 HydrophobicContact CZ-CD2 4.39Å; F90-W95 AromaticContact CZ-CE3 3.87Å; F90-W95 HydrophobicContact CZ-CE3 3.87Å; F90-W95 PolarHBondContact O-N 2.98Å; F90-A118 HydrophobicContact CB-CB 4.21Å; F90-P120 HydrophobicContact CB-CG 4.06Å; F90-P120 HydrophobicContact CD2-CG 3.7Å; F90-P120 HydrophobicContact CE2-CG 4.5Å; F90-P120 HydrophobicContact CG-CG 4.04Å
91L95.6Very high97.4Very high7 Ų739.5 Ų39.54%0.03721%0.211CC..Hα-helixtrans-63.4-35.1177.7-70.9-177.9000112.8W45 Y87 R88 W95W45-L91 HydrophobicContact CE3-CD1 4.09Å; W45-L91 HydrophobicContact CZ3-CD1 3.84Å; Y87-L91 HydrophobicContact CD1-CD1 4.23Å; Y87-L91 HydrophobicContact CE1-CD1 3.66Å; Y87-L91 HydrophobicContact CE1-CG 4.26Å; Y87-L91 HydrophobicContact CE2-CD2 4.42Å; Y87-L91 HydrophobicContact CE2-CG 4.32Å; Y87-L91 PolarHBondContact O-N 3.4Å; R88-L91 PolarHBondContact O-N 3.38Å; L91-W95 HydrophobicContact CD2-CB 4.15Å; L91-W95 HydrophobicContact CD2-CG 4.18Å
92G97.5Very high97.4Very high4 Ų436.7 Ų36.74%0.04120%0.201CC..Hα-helixtrans-78.5-15.1178.800000115R88 D89 F90R88-G92 PolarHBondContact O-N 3.31Å; D89-G92 PolarHBondContact O-N 2.92Å; F90-G92 VanDerWaalsContact C-N 3.28Å; F90-G92 PolarHBondContact O-N 3.33Å
93T98.6Very high97.4Very high0 Ų039.5 Ų39.50%021%0.211CC..THydrogen-bonded Turntrans-124.7-79-173.960.40000112.4L34 I41 D89 F90 W95 S96 A99 L102 Y116 A118L34-T93 HydrophobicContact CD2-CG2 4.32Å; I41-T93 HydrophobicContact CD1-CG2 3.81Å; I41-T93 HydrophobicContact CG1-CG2 4.25Å; D89-T93 WeakPolarHBondContact O-CB 3.36Å; D89-T93 WeakPolarHBondContact O-CG2 3.46Å; D89-T93 PolarHBondContact O-N 3.49Å; D89-T93 PolarHBondContact O-OG1 2.9Å; F90-T93 PolarHBondContact O-N 3.11Å; T93-W95 VanDerWaalsContact C-N 3.32Å; T93-W95 PolarHBondContact O-N 2.95Å; T93-S96 VanDerWaalsContact O-CB 3.25Å; T93-S96 WeakPolarHBondContact O-CB 3.49Å; T93-S96 PolarHBondContact O-N 2.82Å; T93-S96 VanDerWaalsContact O-N 3.1Å; T93-A99 WeakPolarHBondContact O-CB 3.14Å; T93-L102 HydrophobicContact CG2-CD1 4.27Å; T93-Y116 WeakPolarHBondContact CG2-O 3.33Å; T93-A118 VanDerWaalsContact OG1-CB 3.29Å; T93-A118 WeakPolarHBondContact OG1-CB 3.48Å; T93-A118 PolarHBondContact OG1-N 3.01Å; T93-A118 VanDerWaalsContact OG1-N 3.1Å
94N98.4Very high97.4Very high6 Ų645.4 Ų45.43%0.03224%0.239CC..THydrogen-bonded Turntrans-57.4-41.8-178.8-68.980000112.9F90 S96 A118 D119 S215 A216F90-N94 HydrophobicContact CD2-CB 3.48Å; F90-N94 VanDerWaalsContact CD2-CB 3.48Å; F90-N94 HydrophobicContact CE2-CB 3.53Å; F90-N94 PolarHBondContact O-N 2.87Å; F90-N94 VanDerWaalsContact O-N 3.11Å; N94-S96 VanDerWaalsContact C-N 3.32Å; N94-A118 WeakPolarHBondContact OD1-CB 3.41Å; N94-A118 PolarHBondContact OD1-N 3.4Å; N94-D119 PolarHBondContact ND2-OD1 2.98Å; N94-D119 PolarHBondContact OD1-N 3.24Å; N94-S215 PolarHBondContact ND2-O 2.82Å; N94-A216 HydrophobicContact CB-CB 4.48Å
95W95.8Very high97.4Very high99 Ų9946.5 Ų46.538%0.37524%0.243SC..THydrogen-bonded Turntrans-89.22.2-179.5-154.9-103000113.6F90 L91 T93 E145F90-W95 HydrophobicContact CE1-CB 4.2Å; F90-W95 HydrophobicContact CE1-CE3 4.49Å; F90-W95 HydrophobicContact CZ-CB 4.2Å; F90-W95 HydrophobicContact CZ-CD2 4.39Å; F90-W95 AromaticContact CZ-CE3 3.87Å; F90-W95 HydrophobicContact CZ-CE3 3.87Å; F90-W95 PolarHBondContact O-N 2.98Å; L91-W95 HydrophobicContact CD2-CB 4.15Å; L91-W95 HydrophobicContact CD2-CG 4.18Å; T93-W95 VanDerWaalsContact C-N 3.32Å; T93-W95 PolarHBondContact O-N 2.95Å; W95-E145 HydrophobicContact CH2-CG 4.2Å; W95-E145 HydrophobicContact CZ3-CG 4.16Å
96S95.3Very high97.5Very high24 Ų2445.9 Ų45.917%0.16824%0.239CC..SBendtrans-73.8144.9176.6179.70000110.6T93 N94 S98 A99T93-S96 VanDerWaalsContact O-CB 3.25Å; T93-S96 WeakPolarHBondContact O-CB 3.49Å; T93-S96 PolarHBondContact O-N 2.82Å; T93-S96 VanDerWaalsContact O-N 3.1Å; N94-S96 VanDerWaalsContact C-N 3.32Å; S96-S98 PolarHBondContact O-N 2.81Å; S96-S98 VanDerWaalsContact O-N 3.08Å; S96-S98 PolarHBondContact OG-N 3.29Å; S96-A99 VanDerWaalsContact O-CB 3.31Å; S96-A99 WeakPolarHBondContact O-CB 3.25Å; S96-A99 PolarHBondContact O-N 3.34Å
97S95.2Very high97.5Very high129 Ų12947.2 Ų47.290%0.90225%0.251SS*.THydrogen-bonded Turntrans-60.1-18.917058.10000112.8
98S97.1Very high97.7Very high59 Ų5948.8 Ų48.841%0.41327%0.268SS..THydrogen-bonded Turntrans-93.410.1176.4-58.50000114.3S96 A100 W101 L102S96-S98 PolarHBondContact O-N 2.81Å; S96-S98 VanDerWaalsContact O-N 3.08Å; S96-S98 PolarHBondContact OG-N 3.29Å; S98-A100 VanDerWaalsContact C-N 3.3Å; S98-A100 PolarHBondContact O-N 2.79Å; S98-W101 WeakPolarHBondContact O-CB 3.41Å; S98-W101 PolarHBondContact O-N 3.13Å; S98-L102 PolarHBondContact O-N 2.84Å
99A98.3Very high97.8Very high11 Ų1149.8 Ų49.89%0.09128%0.278CS..Hα-helixtrans-55.7-41-177.500000113.3T93 S96 W101 L102 R103 A216T93-A99 WeakPolarHBondContact O-CB 3.14Å; S96-A99 VanDerWaalsContact O-CB 3.31Å; S96-A99 WeakPolarHBondContact O-CB 3.25Å; S96-A99 PolarHBondContact O-N 3.34Å; A99-W101 VanDerWaalsContact C-N 3.33Å; A99-W101 PolarHBondContact O-N 2.9Å; A99-L102 WeakPolarHBondContact O-CB 3.4Å; A99-L102 PolarHBondContact O-N 2.84Å; A99-R103 WeakPolarHBondContact O-CG 3.28Å; A99-R103 PolarHBondContact O-N 2.9Å; A99-A216 HydrophobicContact CB-CB 3.84Å
100A98.3Very high97.8Very high76 Ų7655.6 Ų55.663%0.62830%0.298SS*.Hα-helixtrans-62.4-38.8177.200000112.7S98 R103 Q104S98-A100 VanDerWaalsContact C-N 3.3Å; S98-A100 PolarHBondContact O-N 2.79Å; A100-R103 PolarHBondContact O-N 3.41Å; A100-Q104 PolarHBondContact O-N 2.83Å; A100-Q104 VanDerWaalsContact O-N 3.09Å
101W98.4Very high97.8Very high131 Ų13158.1 Ų58.150%0.49633%0.329SS..Hα-helixtrans-66.3-41.3174.7176.183.5000111.3S98 A99 R103 Q104 Q105S98-W101 WeakPolarHBondContact O-CB 3.41Å; S98-W101 PolarHBondContact O-N 3.13Å; A99-W101 VanDerWaalsContact C-N 3.33Å; A99-W101 PolarHBondContact O-N 2.9Å; W101-R103 VanDerWaalsContact C-N 3.31Å; W101-R103 PolarHBondContact O-N 3.07Å; W101-Q104 WeakPolarHBondContact O-CB 3.29Å; W101-Q104 PolarHBondContact O-N 2.86Å; W101-Q105 HydrophobicContact CD2-CG 3.91Å; W101-Q105 HydrophobicContact CE3-CG 4.28Å; W101-Q105 HydrophobicContact CH2-CG 4Å; W101-Q105 HydrophobicContact CZ2-CG 3.6Å; W101-Q105 HydrophobicContact CZ3-CG 4.32Å; W101-Q105 WeakPolarHBondContact O-CG 3.39Å; W101-Q105 PolarHBondContact O-N 2.85Å
102L98.7Very high97.9Very high8 Ų860.3 Ų60.34%0.04234%0.341CS..Hα-helixtrans-59.3-41.3173.7-68.5176.9000111.8L34 T93 S98 A99 Q104 Q105 G106 L117L34-L102 HydrophobicContact CD2-CD1 4.41Å; L34-L102 HydrophobicContact CD2-CD2 3.8Å; T93-L102 HydrophobicContact CG2-CD1 4.27Å; S98-L102 PolarHBondContact O-N 2.84Å; A99-L102 WeakPolarHBondContact O-CB 3.4Å; A99-L102 PolarHBondContact O-N 2.84Å; L102-Q104 PolarHBondContact O-N 2.88Å; L102-Q105 PolarHBondContact O-N 3.31Å; L102-G106 PolarHBondContact O-N 2.96Å; L102-L117 HydrophobicContact CB-CD2 4.08Å; L102-L117 HydrophobicContact CD1-CD2 4.12Å
103R98.7Very high98Very high59 Ų5962.7 Ų62.722%0.22336%0.355CS..Hα-helixtrans-61.1-43.8175-65.7-178.286.5-179.37.4112.2A99 A100 W101 G106 A107 T113 Q114 L117 E213A99-R103 WeakPolarHBondContact O-CG 3.28Å; A99-R103 PolarHBondContact O-N 2.9Å; A100-R103 PolarHBondContact O-N 3.41Å; W101-R103 VanDerWaalsContact C-N 3.31Å; W101-R103 PolarHBondContact O-N 3.07Å; R103-G106 PolarHBondContact O-N 3.43Å; R103-A107 PolarHBondContact O-N 3.27Å; R103-T113 VanDerWaalsContact CA-O 3.26Å; R103-T113 WeakPolarHBondContact CA-O 3.44Å; R103-T113 WeakPolarHBondContact CG-O 3.46Å; R103-Q114 VanDerWaalsContact NE-OE1 3.13Å; R103-L117 HydrophobicContact CG-CD1 3.69Å; R103-E213 IonicContact CZ-OE2 3.3Å; R103-E213 IonicContact NH1-OE2 3.63Å; R103-E213 PolarHBondContact NH1-OE2 2.92Å; R103-E213 IonicContact NH2-OE2 2.92Å; R103-E213 PolarHBondContact NH2-OE2 3.48Å; R103-E213 VanDerWaalsContact NH2-OE2 3.1Å
104Q98.6Very high98Very high125 Ų12563 Ų6358%0.58436%0.356SS*.Hα-helixtrans-63.5-43.2177.3-174.2-178.26.900112.1A100 W101 L102 A107 T108A100-Q104 PolarHBondContact O-N 2.83Å; A100-Q104 VanDerWaalsContact O-N 3.09Å; W101-Q104 WeakPolarHBondContact O-CB 3.29Å; W101-Q104 PolarHBondContact O-N 2.86Å; L102-Q104 PolarHBondContact O-N 2.88Å; Q104-A107 PolarHBondContact O-N 2.85Å; Q104-T108 PolarHBondContact O-N 2.88Å; Q104-T108 PolarHBondContact O-OG1 3.08Å
105Q98.6Very high98Very high48 Ų4862.9 Ų62.922%0.22436%0.356CS..Hα-helixtrans-66.1-39.3176.2-69.1-62.6-45.100111.7W101 L102 T108 N109 Y116W101-Q105 HydrophobicContact CD2-CG 3.91Å; W101-Q105 HydrophobicContact CE3-CG 4.28Å; W101-Q105 HydrophobicContact CH2-CG 4Å; W101-Q105 HydrophobicContact CZ2-CG 3.6Å; W101-Q105 HydrophobicContact CZ3-CG 4.32Å; W101-Q105 WeakPolarHBondContact O-CG 3.39Å; W101-Q105 PolarHBondContact O-N 2.85Å; L102-Q105 PolarHBondContact O-N 3.31Å; Q105-T108 PolarHBondContact O-N 3.14Å; Q105-N109 WeakPolarHBondContact O-CB 3.48Å; Q105-N109 PolarHBondContact O-N 3.03Å; Q105-Y116 HydrophobicContact CB-CD2 4.02Å; Q105-Y116 HydrophobicContact CB-CE2 3.75Å
106G98.6Very high98.1Very high0 Ų058.6 Ų58.60%034%0.34CS..Hα-helixtrans-59.2-48.1175.400000111.5L102 R103 T108 N109 W110 G111 D112L102-G106 PolarHBondContact O-N 2.96Å; R103-G106 PolarHBondContact O-N 3.43Å; G106-T108 VanDerWaalsContact C-N 3.3Å; G106-T108 PolarHBondContact O-N 3.16Å; G106-N109 PolarHBondContact O-N 3.29Å; G106-W110 WeakPolarHBondContact O-CA 3.25Å; G106-W110 WeakPolarHBondContact O-CB 3.3Å; G106-W110 PolarHBondContact O-N 2.98Å; G106-G111 PolarHBondContact O-N 3.18Å; G106-D112 CarbonylContact C-O 3.45Å; G106-D112 WeakPolarHBondContact CA-O 3.42Å; G106-D112 PolarHBondContact O-N 3.24Å
107A98.4Very high98.3Very high43 Ų4357.5 Ų57.536%0.35533%0.332SS..Hα-helixtrans-59.1-41.117500000112.4R103 Q104 G111 D112 T113R103-A107 PolarHBondContact O-N 3.27Å; Q104-A107 PolarHBondContact O-N 2.85Å; A107-G111 VanDerWaalsContact O-CA 3.25Å; A107-G111 WeakPolarHBondContact O-CA 3.24Å; A107-G111 PolarHBondContact O-N 3.29Å; A107-D112 PolarHBondContact N-O 3.07Å; A107-T113 HydrophobicContact CB-CG2 4.01Å
108T98.4Very high98.4Very high100 Ų10051.3 Ų51.361%0.61329%0.289SS*.Hα-helixtrans-69.6-44.5-178.5-560000112.4Q104 Q105 G106Q104-T108 PolarHBondContact O-N 2.88Å; Q104-T108 PolarHBondContact O-OG1 3.08Å; Q105-T108 PolarHBondContact O-N 3.14Å; G106-T108 VanDerWaalsContact C-N 3.3Å; G106-T108 PolarHBondContact O-N 3.16Å
109N98.3Very high98.5Very high79 Ų7948.9 Ų48.942%0.42227%0.271SS..Hα-helixtrans-91-26.3-170.3-62.40.9000112.9Q105 G106 Y116Q105-N109 WeakPolarHBondContact O-CB 3.48Å; Q105-N109 PolarHBondContact O-N 3.03Å; G106-N109 PolarHBondContact O-N 3.29Å; N109-Y116 WeakPolarHBondContact CB-OH 3.21Å; N109-Y116 PolarHBondContact ND2-OH 2.82Å
110W98Very high98.5Very high143 Ų14348.6 Ų48.654%0.54227%0.268SS..Hα-helixtrans-130.4-6.2-171.6-56.498.5000114R32 G106 D112 A115 Y116R32-W110 HydrophobicContact CB-CZ2 4.37Å; R32-W110 HydrophobicContact CG-CD2 4.26Å; R32-W110 HydrophobicContact CG-CZ2 4.1Å; G106-W110 WeakPolarHBondContact O-CA 3.25Å; G106-W110 WeakPolarHBondContact O-CB 3.3Å; G106-W110 PolarHBondContact O-N 2.98Å; W110-D112 HydrophobicContact CB-CB 4.44Å; W110-D112 PolarHBondContact O-N 3.26Å; W110-A115 HydrophobicContact CB-CB 3.89Å; W110-A115 HydrophobicContact CG-CB 3.87Å; W110-Y116 AromaticContact CD1-CZ 3.61Å; W110-Y116 AromaticContact NE1-CE1 3.41Å; W110-Y116 AromaticContact NE1-CZ 3.21Å; W110-Y116 PolarHBondContact NE1-OH 2.93Å
111G98.2Very high98.5Very high70 Ų7045.1 Ų45.172%0.72224%0.239SC*.SBendtrans65.617.6-170.800000113.4G106 A107G106-G111 PolarHBondContact O-N 3.18Å; A107-G111 VanDerWaalsContact O-CA 3.25Å; A107-G111 WeakPolarHBondContact O-CA 3.24Å; A107-G111 PolarHBondContact O-N 3.29Å
112D98.4Very high98.5Very high53 Ų5338.9 Ų38.928%0.28322%0.215SC..  trans-135.2114.1-176.517120.5000110.1G106 A107 W110 Q114 A115G106-D112 CarbonylContact C-O 3.45Å; G106-D112 WeakPolarHBondContact CA-O 3.42Å; G106-D112 PolarHBondContact O-N 3.24Å; A107-D112 PolarHBondContact N-O 3.07Å; W110-D112 HydrophobicContact CB-CB 4.44Å; W110-D112 PolarHBondContact O-N 3.26Å; D112-Q114 PolarHBondContact O-N 3.22Å; D112-Q114 VanDerWaalsContact O-N 3.12Å; D112-Q114 PolarHBondContact OD1-N 3.35Å; D112-A115 HydrophobicContact CB-CB 4.15Å; D112-A115 WeakPolarHBondContact O-CB 3.5Å; D112-A115 PolarHBondContact O-N 3.11Å; D112-A115 WeakPolarHBondContact OD2-CA 3.25Å; D112-A115 PolarHBondContact OD2-N 3.06Å
113T98.6Very high98.5Very high54 Ų5438.7 Ų38.733%0.33122%0.215SC..THydrogen-bonded Turntrans-63.4-17.4179.356.20000113.2R103 A107R103-T113 VanDerWaalsContact CA-O 3.26Å; R103-T113 WeakPolarHBondContact CA-O 3.44Å; R103-T113 WeakPolarHBondContact CG-O 3.46Å; A107-T113 HydrophobicContact CB-CG2 4.01Å
114Q98.8Very high98.5Very high6 Ų636.1 Ų36.13%0.02821%0.206CC..THydrogen-bonded Turntrans-102.3-0.3-176.8-53-51.7110.200113.1R62 R103 D112 Y116 L117 D119 A216R62-Q114 PolarHBondContact NH2-O 3.03Å; R103-Q114 VanDerWaalsContact NE-OE1 3.13Å; D112-Q114 PolarHBondContact O-N 3.22Å; D112-Q114 VanDerWaalsContact O-N 3.12Å; D112-Q114 PolarHBondContact OD1-N 3.35Å; Q114-Y116 PolarHBondContact O-N 3.37Å; Q114-Y116 VanDerWaalsContact O-N 3.13Å; Q114-L117 PolarHBondContact O-N 3.44Å; Q114-D119 VanDerWaalsContact CB-OD2 3.29Å; Q114-D119 WeakPolarHBondContact CB-OD2 3.37Å; Q114-D119 WeakPolarHBondContact CG-OD2 3.3Å; Q114-D119 PolarHBondContact NE2-OD1 3.3Å; Q114-D119 PolarHBondContact NE2-OD2 2.89Å; Q114-A216 PolarHBondContact NE2-O 3.37Å
115A98.6Very high98.5Very high4 Ų430.1 Ų30.13%0.03318%0.178CC..THydrogen-bonded Turntrans-56-36.5-172.200000113.9R32 W110 D112R32-A115 WeakPolarHBondContact CB-O 3.47Å; R32-A115 HydrophobicContact CG-CB 4.33Å; R32-A115 PolarHBondContact N-O 2.84Å; W110-A115 HydrophobicContact CB-CB 3.89Å; W110-A115 HydrophobicContact CG-CB 3.87Å; D112-A115 HydrophobicContact CB-CB 4.15Å; D112-A115 WeakPolarHBondContact O-CB 3.5Å; D112-A115 PolarHBondContact O-N 3.11Å; D112-A115 WeakPolarHBondContact OD2-CA 3.25Å; D112-A115 PolarHBondContact OD2-N 3.06Å
116Y98.8Very high98.5Very high9 Ų927.9 Ų27.94%0.03517%0.168CC..THydrogen-bonded Turntrans-99.57.7179.6-60.8-50.8000114R31 R32 P33 L34 P35 T93 Q105 N109 W110 Q114R31-Y116 VanDerWaalsContact CD-O 3.31Å; R31-Y116 WeakPolarHBondContact CD-O 3.42Å; R32-Y116 HydrophobicContact CB-CD1 3.87Å; R32-Y116 HydrophobicContact CB-CE1 3.86Å; P33-Y116 WeakPolarHBondContact O-CD1 3.17Å; P33-Y116 VanDerWaalsContact O-CE1 3.24Å; P33-Y116 WeakPolarHBondContact O-CE1 3.37Å; L34-Y116 HydrophobicContact CD2-CD1 4.48Å; L34-Y116 HydrophobicContact CD2-CG 4.4Å; P35-Y116 HydrophobicContact CG-CD2 4.46Å; P35-Y116 HydrophobicContact CG-CE1 4.19Å; P35-Y116 HydrophobicContact CG-CE2 3.81Å; T93-Y116 WeakPolarHBondContact CG2-O 3.33Å; Q105-Y116 HydrophobicContact CB-CD2 4.02Å; Q105-Y116 HydrophobicContact CB-CE2 3.75Å; N109-Y116 WeakPolarHBondContact CB-OH 3.21Å; N109-Y116 PolarHBondContact ND2-OH 2.82Å; W110-Y116 AromaticContact CD1-CZ 3.61Å; W110-Y116 AromaticContact NE1-CE1 3.41Å; W110-Y116 AromaticContact NE1-CZ 3.21Å; W110-Y116 PolarHBondContact NE1-OH 2.93Å; Q114-Y116 PolarHBondContact O-N 3.37Å; Q114-Y116 VanDerWaalsContact O-N 3.13Å
117L98.8Very high98.5Very high0 Ų027.9 Ų27.90%017%0.168CC..  trans-102.1143.4-179.8-62.1-177.3000111.2R31 R62 L102 R103 Q114 D119 A216R31-L117 WeakPolarHBondContact CG-O 3.37Å; R62-L117 PolarHBondContact NE-O 2.96Å; R62-L117 VanDerWaalsContact NE-O 3.09Å; R62-L117 PolarHBondContact NH2-O 3.06Å; L102-L117 HydrophobicContact CB-CD2 4.08Å; L102-L117 HydrophobicContact CD1-CD2 4.12Å; R103-L117 HydrophobicContact CG-CD1 3.69Å; Q114-L117 PolarHBondContact O-N 3.44Å; L117-D119 VanDerWaalsContact C-N 3.32Å; L117-D119 WeakPolarHBondContact CB-OD1 3.36Å; L117-A216 HydrophobicContact CD1-CB 3.86Å; L117-A216 VanDerWaalsContact CD1-O 3.28Å; L117-A216 WeakPolarHBondContact CD1-O 3.37Å
118A98.7Very high98.5Very high0 Ų026 Ų260%015%0.152CC..  trans-64.1-39.417900000111.7R62 T85 D89 F90 T93 N94R62-A118 VanDerWaalsContact CD-O 3.28Å; R62-A118 WeakPolarHBondContact CD-O 3.47Å; R62-A118 WeakPolarHBondContact CG-O 3.46Å; T85-A118 WeakPolarHBondContact CB-O 3.32Å; T85-A118 WeakPolarHBondContact CG2-O 3.36Å; T85-A118 VanDerWaalsContact OG1-CB 3.31Å; T85-A118 WeakPolarHBondContact OG1-CB 3.27Å; T85-A118 PolarHBondContact OG1-O 2.93Å; D89-A118 HydrophobicContact CB-CB 3.96Å; F90-A118 HydrophobicContact CB-CB 4.21Å; T93-A118 VanDerWaalsContact OG1-CB 3.29Å; T93-A118 WeakPolarHBondContact OG1-CB 3.48Å; T93-A118 PolarHBondContact OG1-N 3.01Å; T93-A118 VanDerWaalsContact OG1-N 3.1Å; N94-A118 WeakPolarHBondContact OD1-CB 3.41Å; N94-A118 PolarHBondContact OD1-N 3.4Å
119D98.6Very high98.6Very high8 Ų821.2 Ų21.24%0.04312%0.123CC..  trans43.557.5177.1-77.84.2000114.2R62 L63 N94 Q114 L117 L121R62-D119 WeakPolarHBondContact CA-O 3.49Å; R62-D119 HydrophobicContact CG-CB 4.42Å; L63-D119 PolarHBondContact N-O 2.95Å; N94-D119 PolarHBondContact ND2-OD1 2.98Å; N94-D119 PolarHBondContact OD1-N 3.24Å; Q114-D119 VanDerWaalsContact CB-OD2 3.29Å; Q114-D119 WeakPolarHBondContact CB-OD2 3.37Å; Q114-D119 WeakPolarHBondContact CG-OD2 3.3Å; Q114-D119 PolarHBondContact NE2-OD1 3.3Å; Q114-D119 PolarHBondContact NE2-OD2 2.89Å; L117-D119 VanDerWaalsContact C-N 3.32Å; L117-D119 WeakPolarHBondContact CB-OD1 3.36Å; D119-L121 PolarHBondContact O-N 2.8Å
120P98.4Very high98.6Very high5 Ų520 Ų203%0.03212%0.124CC..BIsolated β-bridgetrans-61.9129.6174.829.1-35.2000110K60 F61 T85 F90 G122K60-P120 HydrophobicContact CB-CB 3.95Å; K60-P120 HydrophobicContact CG-CB 4.26Å; F61-P120 CarbonylContact O-C 3.53Å; F61-P120 WeakPolarHBondContact O-CA 3.41Å; T85-P120 HydrophobicContact CG2-CB 4.04Å; F90-P120 HydrophobicContact CB-CG 4.06Å; F90-P120 HydrophobicContact CD2-CG 3.7Å; F90-P120 HydrophobicContact CE2-CG 4.5Å; F90-P120 HydrophobicContact CG-CG 4.04Å; P120-G122 PolarHBondContact O-N 3.01Å
121L98.7Very high98.6Very high2 Ų215.6 Ų15.61%0.0111%0.111CC..PPolyproline II helixtrans-75.5118.3178.1178.860000109.8F61 L63 L82 D119 L182 A221F61-L121 HydrophobicContact CB-CB 4.43Å; F61-L121 PolarHBondContact O-N 3.3Å; L63-L121 HydrophobicContact CB-CB 4.35Å; L63-L121 HydrophobicContact CB-CD1 4.25Å; L63-L121 HydrophobicContact CD2-CD1 4.33Å; L82-L121 HydrophobicContact CD2-CD2 4.01Å; D119-L121 PolarHBondContact O-N 2.8Å; L121-L182 HydrophobicContact CD2-CD1 4.24Å; L121-L182 HydrophobicContact CD2-CD2 4.08Å; L121-A221 HydrophobicContact CD1-CB 4.27Å
122G98.2Very high98.6Very high0 Ų017.3 Ų17.30%010%0.104CC..EExtended strand (participates in β ladder)trans-86.2168.3168.700000112.7P120 G155 H156 A219 S220 A221P120-G122 PolarHBondContact O-N 3.01Å; G122-G155 CarbonylContact C-O 3.53Å; G122-G155 WeakPolarHBondContact CA-O 3.36Å; G122-H156 VanDerWaalsContact CA-CD2 3.48Å; G122-H156 WeakPolarHBondContact CA-CD2 3.17Å; G122-A219 PolarHBondContact N-O 3.14Å; G122-S220 CarbonylContact O-C 3.5Å; G122-S220 WeakPolarHBondContact O-CA 3.35Å; G122-A221 PolarHBondContact O-N 2.87Å
123V98.6Very high98.6Very high5 Ų516.9 Ų16.93%0.0310%0.099CC..EExtended strand (participates in β ladder)trans-127.6144.6166.4-600000109.7G154 G155 P157 L182 V186 A221 F223V123-G154 CarbonylContact O-C 3.58Å; V123-G154 WeakPolarHBondContact O-CA 3.36Å; V123-G155 PolarHBondContact N-O 2.92Å; V123-G155 PolarHBondContact O-N 2.82Å; V123-P157 HydrophobicContact CG1-CG 3.97Å; V123-L182 HydrophobicContact CG1-CD2 4.5Å; V123-V186 HydrophobicContact CB-CB 4.34Å; V123-V186 HydrophobicContact CG2-CB 4.16Å; V123-A221 WeakPolarHBondContact CA-O 3.4Å; V123-F223 HydrophobicContact CB-CD2 4.47Å; V123-F223 HydrophobicContact CB-CE2 4.11Å; V123-F223 HydrophobicContact CG1-CE2 3.97Å
124G98.4Very high98.6Very high4 Ų414.4 Ų14.44%0.0418%0.084CC..EExtended strand (participates in β ladder)trans-143.9156.4175.500000111.5P153 A221 E222 F223G124-P153 CarbonylContact C-O 3.58Å; G124-P153 WeakPolarHBondContact CA-O 3.49Å; G124-A221 PolarHBondContact N-O 3.15Å; G124-E222 WeakPolarHBondContact CA-OE2 3.28Å; G124-F223 PolarHBondContact O-N 2.8Å
125A98.7Very high98.6Very high0 Ų014.1 Ų14.10%08%0.083CC..EExtended strand (participates in β ladder)trans-127.9122.8-176.300000113.5L127 V152 P153 V186 I190 F223 V225A125-L127 VanDerWaalsContact C-N 3.26Å; A125-L127 PolarHBondContact O-N 3.47Å; A125-V152 WeakPolarHBondContact O-CB 3.42Å; A125-P153 PolarHBondContact N-O 2.85Å; A125-V186 HydrophobicContact CB-CG2 3.75Å; A125-I190 HydrophobicContact CB-CD1 3.91Å; A125-I190 HydrophobicContact CB-CG1 4.43Å; A125-F223 CarbonylContact C-O 3.56Å; A125-F223 WeakPolarHBondContact CA-O 3.32Å; A125-V225 HydrophobicContact CB-CG2 4.46Å
126A98.7Very high98.6Very high1 Ų114 Ų141%0.0088%0.081CC..EExtended strand (participates in β ladder)trans-73.184.9154.300000108.8L134 L207 F223 Y224 V225 Y282A126-L134 HydrophobicContact CB-CD1 4.47Å; A126-L207 HydrophobicContact CB-CD1 4.42Å; A126-F223 PolarHBondContact N-O 3.5Å; A126-Y224 WeakPolarHBondContact O-CD2 3.46Å; A126-V225 PolarHBondContact O-N 2.91Å; A126-Y282 HydrophobicContact CB-CD2 3.8Å; A126-Y282 HydrophobicContact CB-CG 4.17Å
127L98.8Very high98.5Very high0 Ų013.6 Ų13.60%08%0.08CC..EExtended strand (participates in β ladder)trans-82.6113.7-179.7176.161.6000110.6A125 L134 V135 P153 I190 L196 L201 V225 C227A125-L127 VanDerWaalsContact C-N 3.26Å; A125-L127 PolarHBondContact O-N 3.47Å; L127-L134 WeakPolarHBondContact O-CA 3.32Å; L127-V135 HydrophobicContact CB-CB 4.24Å; L127-V135 HydrophobicContact CB-CG2 4.38Å; L127-V135 HydrophobicContact CD2-CB 4.08Å; L127-V135 HydrophobicContact CD2-CG1 4.46Å; L127-V135 HydrophobicContact CD2-CG2 3.9Å; L127-V135 HydrophobicContact CG-CB 4.27Å; L127-V135 HydrophobicContact CG-CG2 3.94Å; L127-V135 PolarHBondContact O-N 2.85Å; L127-P153 HydrophobicContact CD2-CG 4.32Å; L127-I190 HydrophobicContact CD1-CD1 4.36Å; L127-I190 HydrophobicContact CD2-CG2 3.84Å; L127-L196 HydrophobicContact CD2-CD1 4.03Å; L127-L201 HydrophobicContact CD1-CD2 4.13Å; L127-V225 WeakPolarHBondContact CA-O 3.29Å; L127-V225 HydrophobicContact CD1-CB 4.1Å; L127-V225 HydrophobicContact CD1-CG1 4Å; L127-C227 HydrophobicContact CD1-CB 4.06Å
128A98.7Very high98.3Very high3 Ų316.7 Ų16.73%0.0259%0.092CC..EExtended strand (participates in β ladder)trans-97.9140.9177.600000112.2F133 L134 Y224 V225 Q226 C227A128-F133 CarbonylContact C-O 3.57Å; A128-F133 VanDerWaalsContact CA-O 3.29Å; A128-F133 WeakPolarHBondContact CA-O 3.34Å; A128-L134 HydrophobicContact CB-CD2 3.85Å; A128-Y224 HydrophobicContact CB-CE2 3.72Å; A128-V225 PolarHBondContact N-O 3.04Å; A128-Q226 PolarHBondContact O-NE2 3.16Å; A128-C227 WeakPolarHBondContact O-CB 3.48Å; A128-C227 PolarHBondContact O-N 2.74Å
129T98.9Very high98Very high0 Ų018 Ų180%010%0.096CC..  trans-92.4167.917563.50000111.7D131 D132 F133 V135 Q226 L229 V234 F253T129-D131 WeakPolarHBondContact CB-OD1 3.39Å; T129-D131 PolarHBondContact O-N 3.41Å; T129-D131 PolarHBondContact OG1-OD1 3.07Å; T129-D132 PolarHBondContact O-N 3.26Å; T129-F133 PolarHBondContact N-O 2.92Å; T129-F133 WeakPolarHBondContact OG1-CB 3.47Å; T129-F133 PolarHBondContact OG1-N 2.94Å; T129-F133 VanDerWaalsContact OG1-N 3.11Å; T129-F133 PolarHBondContact OG1-O 3.43Å; T129-V135 HydrophobicContact CG2-CG2 3.84Å; T129-Q226 PolarHBondContact O-NE2 3.46Å; T129-L229 WeakPolarHBondContact CB-O 3.26Å; T129-V234 HydrophobicContact CG2-CG2 4.06Å; T129-F253 HydrophobicContact CG2-CD1 4.32Å; T129-F253 HydrophobicContact CG2-CE1 4.24Å
130A98.5Very high97.6Very high53 Ų5318 Ų1844%0.43810%0.098SC..THydrogen-bonded Turntrans-67.8-16.9179.800000114.1C227 L229A130-C227 PolarHBondContact N-O 2.77Å; A130-L229 PolarHBondContact N-O 3.27Å
131D98.4Very high97Very high51 Ų5128.3 Ų28.327%0.27314%0.136SC..THydrogen-bonded Turntrans-10625.3177.259.9-24.6000112.5T129 F133 T230 S231T129-D131 WeakPolarHBondContact CB-OD1 3.39Å; T129-D131 PolarHBondContact O-N 3.41Å; T129-D131 PolarHBondContact OG1-OD1 3.07Å; D131-F133 HydrophobicContact CB-CD2 4.45Å; D131-F133 WeakPolarHBondContact O-CD2 3.45Å; D131-F133 WeakPolarHBondContact O-CE2 3.42Å; D131-T230 HydrophobicContact CB-CG2 4.43Å; D131-T230 WeakPolarHBondContact OD1-CA 3.35Å; D131-S231 VanDerWaalsContact CG-N 3.34Å; D131-S231 PolarHBondContact OD1-N 2.99Å; D131-S231 WeakPolarHBondContact OD2-CB 3.43Å; D131-S231 PolarHBondContact OD2-N 2.98Å; D131-S231 VanDerWaalsContact OD2-N 3.12Å; D131-S231 PolarHBondContact OD2-OG 2.86Å
132D97.9Very high96.1Very high106 Ų10637 Ų3757%0.56718%0.176SC*.SBendtrans64.638.8169.3-60.3-48.8000115.9T129 T256T129-D132 PolarHBondContact O-N 3.26Å; D132-T256 VanDerWaalsContact O-CG2 3.28Å; D132-T256 WeakPolarHBondContact O-CG2 3.48Å; D132-T256 PolarHBondContact O-N 3.46Å; D132-T256 PolarHBondContact O-OG1 3Å; D132-T256 VanDerWaalsContact O-OG1 3.13Å
133F98.7Very high95.2Very high44 Ų4438.5 Ų38.519%0.19319%0.185CC..EExtended strand (participates in β ladder)trans-108.5148.2168-68.2-104.1000111.7A128 T129 D131 F253 V254 E255A128-F133 CarbonylContact C-O 3.57Å; A128-F133 VanDerWaalsContact CA-O 3.29Å; A128-F133 WeakPolarHBondContact CA-O 3.34Å; T129-F133 PolarHBondContact N-O 2.92Å; T129-F133 WeakPolarHBondContact OG1-CB 3.47Å; T129-F133 PolarHBondContact OG1-N 2.94Å; T129-F133 VanDerWaalsContact OG1-N 3.11Å; T129-F133 PolarHBondContact OG1-O 3.43Å; D131-F133 HydrophobicContact CB-CD2 4.45Å; D131-F133 WeakPolarHBondContact O-CD2 3.45Å; D131-F133 WeakPolarHBondContact O-CE2 3.42Å; F133-F253 HydrophobicContact CB-CB 4.09Å; F133-F253 HydrophobicContact CB-CD1 4.33Å; F133-F253 HydrophobicContact CD1-CB 3.72Å; F133-F253 HydrophobicContact CG-CB 4.17Å; F133-V254 CarbonylContact C-O 3.59Å; F133-V254 WeakPolarHBondContact CA-O 3.36Å; F133-E255 HydrophobicContact CD1-CB 4.43Å; F133-E255 HydrophobicContact CD1-CG 3.85Å; F133-E255 VanDerWaalsContact CD1-N 3.34Å; F133-E255 HydrophobicContact CE1-CB 4.26Å; F133-E255 HydrophobicContact CE1-CG 3.24Å; F133-E255 HydrophobicContact CE2-CG 4.15Å; F133-E255 HydrophobicContact CZ-CG 3.4Å
134L98.7Very high94.2Very high1 Ų141.6 Ų41.61%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-91.3140.6161.2-66.1-167.1000111.1A126 L127 A128 F136 F253 V254 T256 V259 I279 Y282A126-L134 HydrophobicContact CB-CD1 4.47Å; L127-L134 WeakPolarHBondContact O-CA 3.32Å; A128-L134 HydrophobicContact CB-CD2 3.85Å; L134-F136 HydrophobicContact CB-CE2 3.85Å; L134-F136 HydrophobicContact CB-CZ 4.43Å; L134-F253 WeakPolarHBondContact O-CA 3.28Å; L134-V254 PolarHBondContact N-O 3.49Å; L134-V254 PolarHBondContact O-N 2.73Å; L134-T256 HydrophobicContact CD2-CG2 4.22Å; L134-T256 HydrophobicContact CG-CG2 4.19Å; L134-V259 HydrophobicContact CB-CG2 4.24Å; L134-V259 HydrophobicContact CD1-CB 4.41Å; L134-V259 HydrophobicContact CD1-CG1 3.84Å; L134-V259 HydrophobicContact CD1-CG2 3.9Å; L134-V259 HydrophobicContact CG-CG2 4.07Å; L134-I279 HydrophobicContact CD1-CD1 3.75Å; L134-Y282 HydrophobicContact CD1-CD1 3.85Å; L134-Y282 HydrophobicContact CD1-CD2 4.33Å; L134-Y282 HydrophobicContact CD1-CE1 3.9Å; L134-Y282 HydrophobicContact CD1-CE2 4.38Å; L134-Y282 HydrophobicContact CD1-CG 4.07Å; L134-Y282 HydrophobicContact CD2-CE2 4.06Å; L134-Y282 HydrophobicContact CG-CE1 4.5Å
135V98.7Very high93.3Very high1 Ų143.2 Ų43.21%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-89.8133.1178.6-174.30000110.8L127 T129 V234 I251 F253L127-V135 HydrophobicContact CB-CB 4.24Å; L127-V135 HydrophobicContact CB-CG2 4.38Å; L127-V135 HydrophobicContact CD2-CB 4.08Å; L127-V135 HydrophobicContact CD2-CG1 4.46Å; L127-V135 HydrophobicContact CD2-CG2 3.9Å; L127-V135 HydrophobicContact CG-CB 4.27Å; L127-V135 HydrophobicContact CG-CG2 3.94Å; L127-V135 PolarHBondContact O-N 2.85Å; T129-V135 HydrophobicContact CG2-CG2 3.84Å; V135-V234 HydrophobicContact CG2-CG1 4.26Å; V135-I251 HydrophobicContact CG1-CD1 3.8Å; V135-I251 HydrophobicContact CG1-CG1 3.88Å; V135-F253 HydrophobicContact CG1-CE1 4.49Å; V135-F253 HydrophobicContact CG2-CD1 4.09Å; V135-F253 HydrophobicContact CG2-CE1 3.85Å
136F98.6Very high92.7Very high0 Ų044.2 Ų44.20%023%0.226CC..EExtended strand (participates in β ladder)trans-130.5156.9174.9-64.3-95000110.3L134 V150 D151 V152 I251 I252 V254 L262 M267 L271 I279L134-F136 HydrophobicContact CB-CE2 3.85Å; L134-F136 HydrophobicContact CB-CZ 4.43Å; F136-V150 HydrophobicContact CB-CG1 3.78Å; F136-V150 HydrophobicContact CD1-CG1 3.89Å; F136-V150 HydrophobicContact CG-CG1 4.21Å; F136-D151 CarbonylContact C-O 3.5Å; F136-D151 WeakPolarHBondContact CA-O 3.45Å; F136-V152 HydrophobicContact CD1-CG1 4.1Å; F136-V152 HydrophobicContact CE1-CG1 4.22Å; F136-I251 WeakPolarHBondContact O-CA 3.43Å; F136-I252 HydrophobicContact CB-CB 4.02Å; F136-I252 HydrophobicContact CB-CG2 4.49Å; F136-I252 PolarHBondContact N-O 3.35Å; F136-I252 PolarHBondContact O-N 3.12Å; F136-V254 HydrophobicContact CD2-CB 4.4Å; F136-V254 HydrophobicContact CD2-CG2 3.91Å; F136-V254 HydrophobicContact CE2-CB 3.85Å; F136-V254 HydrophobicContact CE2-CG2 3.69Å; F136-L262 HydrophobicContact CE1-CD2 4.2Å; F136-L262 HydrophobicContact CZ-CD2 3.85Å; F136-M267 HydrophobicContact CB-CE 4.18Å; F136-M267 HydrophobicContact CD1-CE 3.94Å; F136-M267 HydrophobicContact CD2-CE 4.05Å; F136-M267 HydrophobicContact CE1-CE 4.28Å; F136-M267 HydrophobicContact CE2-CE 4.4Å; F136-M267 HydrophobicContact CG-CE 3.81Å; F136-M267 HydrophobicContact CZ-CE 4.49Å; F136-L271 HydrophobicContact CD1-CD2 3.92Å; F136-L271 HydrophobicContact CE1-CD2 3.92Å; F136-I279 HydrophobicContact CE1-CD1 3.69Å; F136-I279 HydrophobicContact CE1-CG1 3.83Å; F136-I279 HydrophobicContact CZ-CD1 3.52Å; F136-I279 HydrophobicContact CZ-CG1 4.01Å
137L96.7Very high92.3Very high1 Ų147.5 Ų47.51%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-127.1140.2-176.5-60.3175.6000110.7V150 D151 P153 E193 V194 Y238 G250 I251L137-V150 CarbonylContact O-C 3.58Å; L137-V150 WeakPolarHBondContact O-CA 3.2Å; L137-D151 PolarHBondContact N-O 3.16Å; L137-D151 PolarHBondContact O-N 2.98Å; L137-P153 HydrophobicContact CD1-CB 4.37Å; L137-P153 HydrophobicContact CD1-CG 4.03Å; L137-E193 HydrophobicContact CD1-CG 3.89Å; L137-E193 WeakPolarHBondContact CD1-OE1 3.28Å; L137-E193 WeakPolarHBondContact CD1-OE2 3.14Å; L137-V194 HydrophobicContact CD1-CG2 4.38Å; L137-Y238 HydrophobicContact CD2-CE2 4.14Å; L137-G250 CarbonylContact C-O 3.53Å; L137-G250 WeakPolarHBondContact CA-O 3.45Å; L137-I251 HydrophobicContact CD2-CB 4.18Å; L137-I251 HydrophobicContact CD2-CD1 4.29Å; L137-I251 HydrophobicContact CD2-CG1 3.94Å
138R95.9Very high92.1Very high65 Ų6548.3 Ų48.325%0.24526%0.256CS..EExtended strand (participates in β ladder)trans-91.3110.2173.1179.462.360.5169.44.1108.8G148 V150 S248 T249 G250 E270R138-G148 WeakPolarHBondContact CD-O 3.49Å; R138-G148 PolarHBondContact NH1-O 2.83Å; R138-V150 VanDerWaalsContact NH2-CG2 3.26Å; R138-S248 CarbonylContact O-C 3.56Å; R138-S248 VanDerWaalsContact O-CA 3.28Å; R138-S248 WeakPolarHBondContact O-CA 3.44Å; R138-S248 WeakPolarHBondContact O-CB 3.43Å; R138-T249 WeakPolarHBondContact CG-OG1 3.26Å; R138-T249 PolarHBondContact O-N 3.14Å; R138-T249 PolarHBondContact O-OG1 3.41Å; R138-T249 VanDerWaalsContact O-OG1 3.13Å; R138-G250 PolarHBondContact N-O 3.48Å; R138-E270 IonicContact CZ-OE2 3.3Å; R138-E270 IonicContact NH1-OE2 2.67Å; R138-E270 PolarHBondContact NH1-OE2 3.01Å; R138-E270 IonicContact NH2-OE2 3.16Å; R138-E270 PolarHBondContact NH2-OE2 3.18Å
139R92.3Very high92Very high27 Ų2750.9 Ų50.910%0.10227%0.269CS..EExtended strand (participates in β ladder)trans-61145177.3-62.3-175.366.967.59.4111.2V143 E145 A146 G148 L149 D151 E247R139-V143 HydrophobicContact CB-CG2 4.39Å; R139-E145 PolarHBondContact NE-O 3.03Å; R139-E145 PolarHBondContact NH2-O 3.06Å; R139-A146 WeakPolarHBondContact CD-O 3.35Å; R139-G148 WeakPolarHBondContact O-CA 3.49Å; R139-G148 PolarHBondContact O-N 2.79Å; R139-L149 WeakPolarHBondContact CB-O 3.5Å; R139-L149 PolarHBondContact N-O 3.21Å; R139-D151 WeakPolarHBondContact CD-OD2 3.47Å; R139-D151 HydrophobicContact CG-CB 3.9Å; R139-D151 IonicContact NH1-OD2 2.85Å; R139-D151 PolarHBondContact NH1-OD2 3.33Å; R139-E247 IonicContact CZ-OE1 3.31Å; R139-E247 IonicContact NH1-OE1 3.6Å; R139-E247 PolarHBondContact NH1-OE1 3.45Å; R139-E247 VanDerWaalsContact NH1-OE1 3.08Å; R139-E247 IonicContact NH2-OE1 2.84Å; R139-E247 PolarHBondContact NH2-OE1 3.3Å; R139-E247 VanDerWaalsContact NH2-OE1 3.15Å
140S88.8Confident91.9Very high10 Ų1050.9 Ų50.97%0.0727%0.269CS..  trans-57.5155.8169.8174.20000111.1Q142 V143 P147 G148 E247S140-Q142 PolarHBondContact O-N 3.15Å; S140-Q142 PolarHBondContact OG-N 2.86Å; S140-Q142 VanDerWaalsContact OG-N 3.16Å; S140-V143 WeakPolarHBondContact O-CG2 3.38Å; S140-P147 WeakPolarHBondContact O-CA 3.35Å; S140-G148 PolarHBondContact O-N 3.48Å; S140-E247 PolarHBondContact N-O 3.04Å
141R86.5Confident91.9Very high220 Ų22049.3 Ų49.383%0.8325%0.254SS*.SBendtrans-80.3-4.4172.3-66.7-178.7-176.1172.90.9112.9
142Q79.8Confident91.8Very high184 Ų18447.2 Ų47.286%0.8624%0.242SC*.SBendtrans-99.9-8.6-175.1-62.9174.5-19.400113.3S140S140-Q142 PolarHBondContact O-N 3.15Å; S140-Q142 PolarHBondContact OG-N 2.86Å; S140-Q142 VanDerWaalsContact OG-N 3.16Å
143V80Confident91.8Very high32 Ų3242.1 Ų42.119%0.19422%0.215CC..SBendtrans-72.2154.1175.9-61.90000111.5R139 S140 E145 P147R139-V143 HydrophobicContact CB-CG2 4.39Å; S140-V143 WeakPolarHBondContact O-CG2 3.38Å; V143-E145 VanDerWaalsContact CG2-O 3.26Å; V143-E145 WeakPolarHBondContact CG2-O 3.47Å; V143-P147 HydrophobicContact CG2-CB 4.43Å
144A75.8Confident91.6Very high71 Ų7140.7 Ų40.759%0.58721%0.213SC*.SBendtrans-73.6-36.3-177.900000113.5
145E80.1Confident91.4Very high37 Ų3741.5 Ų41.517%0.17322%0.222CC..SBendtrans-108.5132.2-178.7-166.3173.1-155.400110.8W95 R139 V143 R218W95-E145 HydrophobicContact CH2-CG 4.2Å; W95-E145 HydrophobicContact CZ3-CG 4.16Å; R139-E145 PolarHBondContact NE-O 3.03Å; R139-E145 PolarHBondContact NH2-O 3.06Å; V143-E145 VanDerWaalsContact CG2-O 3.26Å; V143-E145 WeakPolarHBondContact CG2-O 3.47Å; E145-R218 IonicContact OE1-CZ 3.08Å; E145-R218 VanDerWaalsContact OE1-CZ 3.3Å; E145-R218 IonicContact OE1-NE 3.64Å; E145-R218 PolarHBondContact OE1-NE 2.79Å; E145-R218 IonicContact OE1-NH2 3.94Å; E145-R218 PolarHBondContact OE1-NH2 3.12Å; E145-R218 IonicContact OE2-CZ 3.04Å; E145-R218 IonicContact OE2-NE 2.84Å; E145-R218 IonicContact OE2-NH2 3.1Å; E145-R218 PolarHBondContact OE2-NH2 3.14Å
146A87.1Confident91.1Very high21 Ų2144 Ų4417%0.17423%0.233CC..SBendtrans52.650.6176.300000115.1R139 G148 L149 C272R139-A146 WeakPolarHBondContact CD-O 3.35Å; A146-G148 PolarHBondContact O-N 2.64Å; A146-L149 HydrophobicContact CB-CB 4.22Å; A146-L149 HydrophobicContact CB-CD1 3.87Å; A146-L149 HydrophobicContact CB-CG 4.21Å; A146-L149 PolarHBondContact O-N 3.26Å; A146-C272 HydrophobicContact CB-CB 3.85Å
147P90.1Very high90.7Very high71 Ų7144.2 Ų44.246%0.46123%0.234SC..THydrogen-bonded Turntrans-61.7127.5-175.126.6-34.9000112.1S140 V143 L149S140-P147 WeakPolarHBondContact O-CA 3.35Å; V143-P147 HydrophobicContact CG2-CB 4.43Å; P147-L149 PolarHBondContact O-N 3.43Å
148G93.4Very high90.5Very high17 Ų1746.7 Ų46.718%0.17525%0.246CC..THydrogen-bonded Turntrans75.4-2.2178.100000116.1R138 R139 S140 A146R138-G148 WeakPolarHBondContact CD-O 3.49Å; R138-G148 PolarHBondContact NH1-O 2.83Å; R139-G148 WeakPolarHBondContact O-CA 3.49Å; R139-G148 PolarHBondContact O-N 2.79Å; S140-G148 PolarHBondContact O-N 3.48Å; A146-G148 PolarHBondContact O-N 2.64Å
149L96.5Very high90Very high56 Ų5643.6 Ų43.629%0.29323%0.234SC..  trans-74.8163.4175.6-60.7-168.1000111.3R139 A146 P147 E270 C272R139-L149 WeakPolarHBondContact CB-O 3.5Å; R139-L149 PolarHBondContact N-O 3.21Å; A146-L149 HydrophobicContact CB-CB 4.22Å; A146-L149 HydrophobicContact CB-CD1 3.87Å; A146-L149 HydrophobicContact CB-CG 4.21Å; A146-L149 PolarHBondContact O-N 3.26Å; P147-L149 PolarHBondContact O-N 3.43Å; L149-E270 CarbonylContact C-O 3.5Å; L149-E270 WeakPolarHBondContact CA-O 3.36Å; L149-E270 WeakPolarHBondContact CB-O 3.21Å; L149-C272 HydrophobicContact CB-CB 4.14Å; L149-C272 HydrophobicContact CD1-CB 4.06Å
150V97.8Very high89.5Confident0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-83.1135.2169.8-177.10000109F136 L137 R138 I252 M267 E270 L271 C272F136-V150 HydrophobicContact CB-CG1 3.78Å; F136-V150 HydrophobicContact CD1-CG1 3.89Å; F136-V150 HydrophobicContact CG-CG1 4.21Å; L137-V150 CarbonylContact O-C 3.58Å; L137-V150 WeakPolarHBondContact O-CA 3.2Å; R138-V150 VanDerWaalsContact NH2-CG2 3.26Å; V150-I252 HydrophobicContact CG1-CD1 4.46Å; V150-I252 HydrophobicContact CG2-CD1 4.18Å; V150-M267 HydrophobicContact CG1-CE 3.76Å; V150-E270 HydrophobicContact CG2-CB 4.11Å; V150-E270 PolarHBondContact N-O 3.25Å; V150-L271 HydrophobicContact CB-CD2 3.75Å; V150-L271 HydrophobicContact CB-CG 4.41Å; V150-L271 HydrophobicContact CG1-CD2 3.56Å; V150-L271 WeakPolarHBondContact O-CA 3.46Å; V150-C272 PolarHBondContact O-N 3.04Å
151D97.3Very high88.9Confident21 Ų2149.3 Ų49.311%0.11227%0.273CS..EExtended strand (participates in β ladder)trans-126.9175175.9-143.9-22.7000111.2F136 L137 R139 C272F136-D151 CarbonylContact C-O 3.5Å; F136-D151 WeakPolarHBondContact CA-O 3.45Å; L137-D151 PolarHBondContact N-O 3.16Å; L137-D151 PolarHBondContact O-N 2.98Å; R139-D151 WeakPolarHBondContact CD-OD2 3.47Å; R139-D151 HydrophobicContact CG-CB 3.9Å; R139-D151 IonicContact NH1-OD2 2.85Å; R139-D151 PolarHBondContact NH1-OD2 3.33Å; D151-C272 PolarHBondContact OD1-SG 2.86Å; D151-C272 PolarHBondContact OD2-SG 2.9Å
152V97.6Very high88.5Confident6 Ų640.3 Ų40.34%0.03624%0.241CC..  trans-105.8160.1163.8-66.50000109.3A125 F136 G154 A275 A278A125-V152 WeakPolarHBondContact O-CB 3.42Å; F136-V152 HydrophobicContact CD1-CG1 4.1Å; F136-V152 HydrophobicContact CE1-CG1 4.22Å; V152-G154 PolarHBondContact O-N 2.72Å; V152-A275 HydrophobicContact CG1-CB 4.08Å; V152-A275 HydrophobicContact CG2-CB 4.27Å; V152-A278 HydrophobicContact CG1-CB 4.45Å; V152-A278 HydrophobicContact CG2-CB 4.03Å
153P96.9Very high88.1Confident0 Ų032.7 Ų32.70%021%0.208CC..SBendtrans-55.9134.7172.9-23.233.2000111.3G124 A125 L127 L137 I190 V194G124-P153 CarbonylContact C-O 3.58Å; G124-P153 WeakPolarHBondContact CA-O 3.49Å; A125-P153 PolarHBondContact N-O 2.85Å; L127-P153 HydrophobicContact CD2-CG 4.32Å; L137-P153 HydrophobicContact CD1-CB 4.37Å; L137-P153 HydrophobicContact CD1-CG 4.03Å; P153-I190 HydrophobicContact CB-CG1 3.81Å; P153-V194 HydrophobicContact CB-CG2 4.22Å; P153-V194 HydrophobicContact CG-CG2 3.92Å
154G95.5Very high87.1Confident14 Ų1437.9 Ų37.914%0.14424%0.242CC..EExtended strand (participates in β ladder)trans169.5-176.5-176.100000113.4V123 V152V123-G154 CarbonylContact O-C 3.58Å; V123-G154 WeakPolarHBondContact O-CA 3.36Å; V152-G154 PolarHBondContact O-N 2.72Å
155G93.8Very high86.2Confident18 Ų1837 Ų3719%0.18624%0.24CC..EExtended strand (participates in β ladder)trans178.9-158.3-177.400000113G122 V123 E189G122-G155 CarbonylContact C-O 3.53Å; G122-G155 WeakPolarHBondContact CA-O 3.36Å; V123-G155 PolarHBondContact N-O 2.92Å; V123-G155 PolarHBondContact O-N 2.82Å; G155-E189 WeakPolarHBondContact CA-OE1 3.2Å
156H92.3Very high85.6Confident54 Ų5443.4 Ų43.425%0.2528%0.275CS..  trans-127.599.2-178.5-65.797.7000110.6K60 G122 R218K60-H156 HydrophobicContact CD-CB 3.97Å; K60-H156 PolarHBondContact NZ-O 3.18Å; G122-H156 VanDerWaalsContact CA-CD2 3.48Å; G122-H156 WeakPolarHBondContact CA-CD2 3.17Å; H156-R218 PolarHBondContact NE2-NH1 3.19Å
157P91.3Very high85Confident4 Ų447 Ų473%0.02630%0.299CS..  trans-58.5144.5-174.718.3-28.8000112.8F61 V123 E181 L182F61-P157 HydrophobicContact CD2-CB 4.42Å; F61-P157 HydrophobicContact CD2-CG 4.37Å; V123-P157 HydrophobicContact CG1-CG 3.97Å; P157-E181 HydrophobicContact CB-CG 4.49Å; P157-L182 HydrophobicContact CB-CD2 4.48Å; P157-L182 HydrophobicContact CG-CD2 3.69Å
158E91.3Very high84.6Confident52 Ų5244.4 Ų44.424%0.24328%0.283CS..  trans-112.2119.5-174.8-55-166.9158.300110.3A58 K60 Q160 A161A58-E158 WeakPolarHBondContact CB-OE1 3.12Å; K60-E158 HydrophobicContact CD-CG 4.24Å; K60-E158 IonicContact NZ-OE1 3.75Å; K60-E158 PolarHBondContact NZ-OE1 3.21Å; E158-Q160 HydrophobicContact CB-CG 3.86Å; E158-Q160 PolarHBondContact O-N 3.37Å; E158-Q160 PolarHBondContact OE2-NE2 3.13Å; E158-A161 WeakPolarHBondContact O-CB 3.22Å; E158-A161 PolarHBondContact O-N 2.85Å
159P87Confident84.2Confident0 Ų048.5 Ų48.50%030%0.297CS..G310 helixtrans-60.8-18.4-177.7-16.925.4000113.9P59 F61 L84 A161 L162 P168 L173P59-P159 HydrophobicContact CB-CG 4.47Å; P59-P159 WeakPolarHBondContact O-CD 3.18Å; F61-P159 HydrophobicContact CD1-CG 3.94Å; F61-P159 HydrophobicContact CD2-CG 4.02Å; F61-P159 HydrophobicContact CE1-CB 3.84Å; F61-P159 HydrophobicContact CE1-CG 3.73Å; F61-P159 HydrophobicContact CE2-CB 4.13Å; F61-P159 HydrophobicContact CE2-CG 3.82Å; F61-P159 HydrophobicContact CG-CG 4.08Å; F61-P159 HydrophobicContact CZ-CB 3.61Å; F61-P159 HydrophobicContact CZ-CG 3.67Å; L84-P159 HydrophobicContact CD2-CB 4.24Å; L84-P159 HydrophobicContact CD2-CG 3.77Å; P159-A161 PolarHBondContact O-N 3.08Å; P159-L162 WeakPolarHBondContact O-CB 3.45Å; P159-L162 PolarHBondContact O-N 2.79Å; P159-L162 VanDerWaalsContact O-N 3.08Å; P159-P168 HydrophobicContact CB-CB 3.93Å; P159-P168 HydrophobicContact CB-CG 3.83Å; P159-P168 HydrophobicContact CG-CG 4.38Å; P159-L173 HydrophobicContact CB-CD1 3.79Å
160Q80.4Confident83.9Confident88 Ų8847.7 Ų47.741%0.41129%0.292SS..G310 helixtrans-63.1-22.917567.8-174.111.800113.7P59 E158 L162 C163P59-Q160 HydrophobicContact CG-CB 4.18Å; P59-Q160 HydrophobicContact CG-CG 4.4Å; E158-Q160 HydrophobicContact CB-CG 3.86Å; E158-Q160 PolarHBondContact O-N 3.37Å; E158-Q160 PolarHBondContact OE2-NE2 3.13Å; Q160-L162 PolarHBondContact O-N 2.87Å; Q160-L162 VanDerWaalsContact O-N 3.16Å; Q160-C163 CarbonylContact O-C 3.53Å; Q160-C163 VanDerWaalsContact O-C 3.31Å; Q160-C163 PolarHBondContact O-N 2.87Å; Q160-C163 VanDerWaalsContact O-N 3.14Å; Q160-C163 VanDerWaalsContact O-O 3.1Å
161A77.1Confident83.3Confident69 Ų6955.4 Ų55.457%0.5733%0.328SS*.G310 helixtrans-60-23.9172.500000112.4E158 P159E158-A161 WeakPolarHBondContact O-CB 3.22Å; E158-A161 PolarHBondContact O-N 2.85Å; P159-A161 PolarHBondContact O-N 3.08Å
162L77.6Confident82.6Confident31 Ų3158 Ų5816%0.16234%0.342CS..THydrogen-bonded Turntrans-92.7-20.2178.2-63.3174.4000113.8F61 P159 Q160 L173 L177 E181F61-L162 HydrophobicContact CZ-CD1 4.34Å; P159-L162 WeakPolarHBondContact O-CB 3.45Å; P159-L162 PolarHBondContact O-N 2.79Å; P159-L162 VanDerWaalsContact O-N 3.08Å; Q160-L162 PolarHBondContact O-N 2.87Å; Q160-L162 VanDerWaalsContact O-N 3.16Å; L162-L173 HydrophobicContact CB-CD2 3.53Å; L162-L173 HydrophobicContact CD1-CD2 3.67Å; L162-L173 HydrophobicContact CG-CD2 4.28Å; L162-L177 HydrophobicContact CD1-CB 4.22Å; L162-L177 HydrophobicContact CD2-CB 4.44Å; L162-E181 HydrophobicContact CD1-CB 3.74Å; L162-E181 HydrophobicContact CD1-CG 4.2Å; L162-E181 HydrophobicContact CD2-CB 4.04Å; L162-E181 HydrophobicContact CG-CB 4.01Å; L162-E181 HydrophobicContact CG-CG 4.23Å
163C71.5Confident82Confident25 Ų2558 Ų5817%0.16934%0.342CS..  trans-135.395.4-176.1-64.10000109.9Q160 G165 L173Q160-C163 CarbonylContact O-C 3.53Å; Q160-C163 VanDerWaalsContact O-C 3.31Å; Q160-C163 PolarHBondContact O-N 2.87Å; Q160-C163 VanDerWaalsContact O-N 3.14Å; Q160-C163 VanDerWaalsContact O-O 3.1Å; C163-G165 VanDerWaalsContact C-N 3.34Å; C163-G165 PolarHBondContact O-N 2.82Å; C163-L173 WeakPolarHBondContact SG-CD2 3.41Å
164P58Low81.7Confident140 Ų14061.8 Ų61.891%0.90937%0.365SS*.  trans-69.4911732.87.4000110
165G58.5Low81.6Confident53 Ų5362.1 Ų62.155%0.54637%0.368SS..SBendtrans172148.5179.800000110.4C163 S167C163-G165 VanDerWaalsContact C-N 3.34Å; C163-G165 PolarHBondContact O-N 2.82Å; G165-S167 PolarHBondContact O-N 2.84Å
166D65.8Low81.7Confident171 Ų17169 Ų6991%0.91440%0.396SS*.SBendtrans-64.6123.6-174.5-76.5-35.4000111.8
167S74.8Confident81.8Confident96 Ų9668.7 Ų68.767%0.67140%0.396SS*.SBendtrans72.699.9176.2-53.30000116.1G165 Q169G165-S167 PolarHBondContact O-N 2.84Å; S167-Q169 PolarHBondContact O-N 2.95Å
168P81.8Confident82Confident18 Ų1868.5 Ų68.512%0.11739%0.394CS..  trans-63.6135176.425.7-32.6000111.3P59 L84 P159 L173P59-P168 HydrophobicContact CB-CG 3.6Å; P59-P168 HydrophobicContact CG-CG 3.75Å; L84-P168 WeakPolarHBondContact CD1-O 3.42Å; P159-P168 HydrophobicContact CB-CB 3.93Å; P159-P168 HydrophobicContact CB-CG 3.83Å; P159-P168 HydrophobicContact CG-CG 4.38Å; P168-L173 HydrophobicContact CB-CD1 4.09Å
169Q86.1Confident82.3Confident103 Ų10366.2 Ų66.248%0.48138%0.384SS..  trans-108.3152.2173.8-50.2-172.35.900111S167 Q171 D172S167-Q169 PolarHBondContact O-N 2.95Å; Q169-Q171 HydrophobicContact CB-CG 4.15Å; Q169-Q171 PolarHBondContact O-N 2.88Å; Q169-D172 WeakPolarHBondContact CB-OD2 3.5Å; Q169-D172 PolarHBondContact O-N 3.13Å; Q169-D172 VanDerWaalsContact O-N 3.11Å
170H89.8Confident82.8Confident39 Ų3971.7 Ų71.718%0.18141%0.405CS..G310 helixtrans-58.5-36-178.4-54.877.2000113.1L25 P27 D30 D172 L173L25-H170 HydrophobicContact CD2-CB 4.42Å; L25-H170 HydrophobicContact CG-CB 4.45Å; P27-H170 WeakPolarHBondContact CA-NE2 3.38Å; D30-H170 IonicContact OD1-CD2 2.72Å; D30-H170 IonicContact OD1-CE1 3.65Å; D30-H170 IonicContact OD1-NE2 2.79Å; D30-H170 PolarHBondContact OD1-NE2 3.17Å; D30-H170 IonicContact OD2-CE1 3.79Å; D30-H170 PolarHBondContact OD2-CE1 2.82Å; D30-H170 IonicContact OD2-NE2 3.8Å; D30-H170 PolarHBondContact OD2-NE2 3.15Å; D30-H170 VanDerWaalsContact OD2-NE2 3.13Å; H170-D172 PolarHBondContact O-N 3.3Å; H170-L173 PolarHBondContact O-N 2.92Å
171Q85.1Confident83.6Confident161 Ų16168.7 Ų68.775%0.75239%0.391SS*.G310 helixtrans-68.5-21.9-179.163.6179.944.200113.8Q169 L173Q169-Q171 HydrophobicContact CB-CG 4.15Å; Q169-Q171 PolarHBondContact O-N 2.88Å; Q171-L173 VanDerWaalsContact C-N 3.32Å
172D81.9Confident84.6Confident77 Ų7765.6 Ų65.641%0.41236%0.364SS..G310 helixtrans-85.1-13-177.7-56.3-36.9000111.9Q169 H170Q169-D172 WeakPolarHBondContact CB-OD2 3.5Å; Q169-D172 PolarHBondContact O-N 3.13Å; Q169-D172 VanDerWaalsContact O-N 3.11Å; H170-D172 PolarHBondContact O-N 3.3Å
173L84.9Confident85.5Confident6 Ų664.4 Ų64.43%0.03136%0.358CS..  trans-118.795.2-168.4-65.4177.5000110.5L25 F61 L84 P159 L162 C163 P168 H170 Q171 V178L25-L173 HydrophobicContact CD2-CB 3.39Å; L25-L173 HydrophobicContact CD2-CD1 3.66Å; L25-L173 HydrophobicContact CD2-CG 4.16Å; F61-L173 HydrophobicContact CE1-CD1 4.36Å; L84-L173 HydrophobicContact CD2-CD1 4.47Å; P159-L173 HydrophobicContact CB-CD1 3.79Å; L162-L173 HydrophobicContact CB-CD2 3.53Å; L162-L173 HydrophobicContact CD1-CD2 3.67Å; L162-L173 HydrophobicContact CG-CD2 4.28Å; C163-L173 WeakPolarHBondContact SG-CD2 3.41Å; P168-L173 HydrophobicContact CB-CD1 4.09Å; H170-L173 PolarHBondContact O-N 2.92Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; L173-V178 HydrophobicContact CB-CG2 4.08Å
174T91.3Very high86.8Confident78 Ų7865.8 Ų65.848%0.47937%0.368SS..  trans-67.7152.3174.8730000111E176 L177 V178T174-E176 PolarHBondContact O-N 3.28Å; T174-L177 HydrophobicContact CG2-CD1 4.43Å; T174-L177 WeakPolarHBondContact O-CB 3.45Å; T174-L177 PolarHBondContact O-N 2.98Å; T174-L177 VanDerWaalsContact OG1-CG 3.3Å; T174-L177 WeakPolarHBondContact OG1-CG 3.06Å; T174-L177 PolarHBondContact OG1-N 3.18Å; T174-V178 WeakPolarHBondContact O-CG2 3.37Å; T174-V178 PolarHBondContact O-N 3.1Å
175G94.1Very high88.7Confident22 Ų2259.5 Ų59.523%0.22733%0.327CS..Hα-helixtrans-54.4-37.917900000113.9A23 V178 V179A23-G175 WeakPolarHBondContact O-CA 3.27Å; G175-V178 PolarHBondContact O-N 2.84Å; G175-V179 WeakPolarHBondContact O-CG2 3.36Å; G175-V179 PolarHBondContact O-N 2.79Å
176E94.6Very high90.6Very high162 Ų16257 Ų5776%0.75730%0.301SS*.Hα-helixtrans-64.9-42.2176.7-174.2-178.117200112.2T174 V178 V179 R180T174-E176 PolarHBondContact O-N 3.28Å; E176-V178 VanDerWaalsContact C-N 3.34Å; E176-V179 PolarHBondContact O-N 3.5Å; E176-R180 WeakPolarHBondContact O-CB 3.25Å; E176-R180 PolarHBondContact O-N 3.33Å
177L94.4Very high92.1Very high47 Ų4749.4 Ų49.425%0.24626%0.261CS..Hα-helixtrans-64.3-41176.6-68.6173.9000111.3L162 T174 R180 E181L162-L177 HydrophobicContact CD1-CB 4.22Å; L162-L177 HydrophobicContact CD2-CB 4.44Å; T174-L177 HydrophobicContact CG2-CD1 4.43Å; T174-L177 WeakPolarHBondContact O-CB 3.45Å; T174-L177 PolarHBondContact O-N 2.98Å; T174-L177 VanDerWaalsContact OG1-CG 3.3Å; T174-L177 WeakPolarHBondContact OG1-CG 3.06Å; T174-L177 PolarHBondContact OG1-N 3.18Å; L177-R180 VanDerWaalsContact CD2-CZ 3.45Å; L177-R180 PolarHBondContact O-N 2.86Å; L177-E181 PolarHBondContact O-N 3.44Å
178V95.8Very high93.2Very high0 Ų049.5 Ų49.50%025%0.25CS..Hα-helixtrans-63.8-46.9177.3176.70000111.2A23 L25 F61 L82 L173 T174 G175 E176 R180 E181 L182A23-V178 HydrophobicContact CB-CB 4.27Å; A23-V178 HydrophobicContact CB-CG1 4.19Å; L25-V178 HydrophobicContact CB-CG2 4.38Å; L25-V178 HydrophobicContact CD2-CG2 4.14Å; F61-V178 HydrophobicContact CD1-CG1 4.1Å; F61-V178 HydrophobicContact CE1-CB 4.37Å; F61-V178 HydrophobicContact CE1-CG1 3.7Å; F61-V178 HydrophobicContact CE1-CG2 3.87Å; F61-V178 HydrophobicContact CZ-CG1 3.99Å; F61-V178 HydrophobicContact CZ-CG2 4.26Å; L82-V178 HydrophobicContact CD1-CG1 3.48Å; L82-V178 VanDerWaalsContact CD1-CG1 3.48Å; L173-V178 HydrophobicContact CB-CG2 4.08Å; T174-V178 WeakPolarHBondContact O-CG2 3.37Å; T174-V178 PolarHBondContact O-N 3.1Å; G175-V178 PolarHBondContact O-N 2.84Å; E176-V178 VanDerWaalsContact C-N 3.34Å; V178-R180 VanDerWaalsContact C-N 3.31Å; V178-R180 PolarHBondContact O-N 3.33Å; V178-E181 WeakPolarHBondContact O-CB 3.34Å; V178-E181 PolarHBondContact O-N 2.87Å; V178-L182 WeakPolarHBondContact O-CG 3.34Å; V178-L182 PolarHBondContact O-N 2.99Å
179V97.6Very high93.8Very high5 Ų550.9 Ų50.93%0.0326%0.255CS..Hα-helixtrans-62.1-41.6176.3173.20000110.7R18 V21 A23 G175 E176 E181 L182 F183R18-V179 HydrophobicContact CG-CG1 3.7Å; V21-V179 HydrophobicContact CB-CG1 4.08Å; V21-V179 HydrophobicContact CG1-CG1 4.28Å; V21-V179 HydrophobicContact CG1-CG2 4.1Å; A23-V179 HydrophobicContact CB-CG2 3.64Å; G175-V179 WeakPolarHBondContact O-CG2 3.36Å; G175-V179 PolarHBondContact O-N 2.79Å; E176-V179 PolarHBondContact O-N 3.5Å; V179-E181 VanDerWaalsContact C-N 3.31Å; V179-E181 PolarHBondContact O-N 2.95Å; V179-L182 PolarHBondContact O-N 3.4Å; V179-F183 HydrophobicContact CG1-CD2 4.04Å; V179-F183 HydrophobicContact CG1-CE2 4Å; V179-F183 VanDerWaalsContact O-CD2 3.28Å; V179-F183 WeakPolarHBondContact O-CD2 3.38Å; V179-F183 PolarHBondContact O-N 2.83Å
180R96.8Very high94.3Very high114 Ų11446 Ų4643%0.4323%0.232SC..Hα-helixtrans-59.4-42.8175.7-174.5179.673-1696.6111.8E176 L177 V178 F183 S184E176-R180 WeakPolarHBondContact O-CB 3.25Å; E176-R180 PolarHBondContact O-N 3.33Å; L177-R180 VanDerWaalsContact CD2-CZ 3.45Å; L177-R180 PolarHBondContact O-N 2.86Å; V178-R180 VanDerWaalsContact C-N 3.31Å; V178-R180 PolarHBondContact O-N 3.33Å; R180-F183 PolarHBondContact O-N 2.97Å; R180-S184 VanDerWaalsContact O-CB 3.31Å; R180-S184 WeakPolarHBondContact O-CB 3.34Å; R180-S184 PolarHBondContact O-N 3.04Å; R180-S184 PolarHBondContact O-OG 3.14Å
181E97.1Very high94.6Very high26 Ų2645 Ų4512%0.12123%0.23CC..Hα-helixtrans-61.7-50.2177.1178.154.4-153.700111.7F61 P157 L162 L177 V178 V179 F183 S184 S185F61-E181 HydrophobicContact CE2-CG 4.01Å; F61-E181 HydrophobicContact CZ-CG 4.47Å; P157-E181 HydrophobicContact CB-CG 4.49Å; L162-E181 HydrophobicContact CD1-CB 3.74Å; L162-E181 HydrophobicContact CD1-CG 4.2Å; L162-E181 HydrophobicContact CD2-CB 4.04Å; L162-E181 HydrophobicContact CG-CB 4.01Å; L162-E181 HydrophobicContact CG-CG 4.23Å; L177-E181 PolarHBondContact O-N 3.44Å; V178-E181 WeakPolarHBondContact O-CB 3.34Å; V178-E181 PolarHBondContact O-N 2.87Å; V179-E181 VanDerWaalsContact C-N 3.31Å; V179-E181 PolarHBondContact O-N 2.95Å; E181-F183 PolarHBondContact O-N 3.45Å; E181-S184 PolarHBondContact O-N 3Å; E181-S185 WeakPolarHBondContact O-CB 3.42Å; E181-S185 PolarHBondContact O-N 2.86Å; E181-S185 PolarHBondContact O-OG 3.24Å
182L97.9Very high94.9Very high3 Ų342.2 Ų42.22%0.01622%0.22CC..Hα-helixtrans-57-38.1-179.6-65.3176.8000112.9F61 L80 L82 L121 V123 P157 V178 V179 S185F61-L182 HydrophobicContact CD2-CD2 4.16Å; L80-L182 HydrophobicContact CD1-CD1 3.99Å; L82-L182 HydrophobicContact CD1-CD1 4.24Å; L121-L182 HydrophobicContact CD2-CD1 4.24Å; L121-L182 HydrophobicContact CD2-CD2 4.08Å; V123-L182 HydrophobicContact CG1-CD2 4.5Å; P157-L182 HydrophobicContact CB-CD2 4.48Å; P157-L182 HydrophobicContact CG-CD2 3.69Å; V178-L182 WeakPolarHBondContact O-CG 3.34Å; V178-L182 PolarHBondContact O-N 2.99Å; V179-L182 PolarHBondContact O-N 3.4Å; L182-S185 PolarHBondContact O-OG 3.01Å
183F98.4Very high95.4Very high7 Ų739.6 Ų39.63%0.03121%0.205CC..Hα-helixtrans-79.4-28.4177.3-80.9-108.4000112.8R18 V21 V179 R180 E181 V186 P204 L206 F223R18-F183 VanDerWaalsContact CA-CZ 3.49Å; R18-F183 HydrophobicContact CB-CD1 3.79Å; R18-F183 HydrophobicContact CB-CD2 4.23Å; R18-F183 HydrophobicContact CB-CE1 3.85Å; R18-F183 HydrophobicContact CB-CE2 4.28Å; R18-F183 HydrophobicContact CB-CG 3.98Å; R18-F183 HydrophobicContact CB-CZ 4.09Å; R18-F183 HydrophobicContact CG-CB 4.41Å; R18-F183 HydrophobicContact CG-CD1 4.34Å; R18-F183 HydrophobicContact CG-CD2 4.04Å; R18-F183 HydrophobicContact CG-CE2 4.35Å; R18-F183 HydrophobicContact CG-CG 4.01Å; V21-F183 HydrophobicContact CG2-CE2 4.3Å; V21-F183 HydrophobicContact CG2-CZ 4.15Å; V179-F183 HydrophobicContact CG1-CD2 4.04Å; V179-F183 HydrophobicContact CG1-CE2 4Å; V179-F183 VanDerWaalsContact O-CD2 3.28Å; V179-F183 WeakPolarHBondContact O-CD2 3.38Å; V179-F183 PolarHBondContact O-N 2.83Å; R180-F183 PolarHBondContact O-N 2.97Å; E181-F183 PolarHBondContact O-N 3.45Å; F183-V186 WeakPolarHBondContact O-CG1 3.44Å; F183-P204 HydrophobicContact CD1-CB 3.96Å; F183-P204 HydrophobicContact CD1-CG 4.3Å; F183-P204 HydrophobicContact CE1-CB 4.46Å; F183-P204 WeakPolarHBondContact CE1-O 3.44Å; F183-L206 HydrophobicContact CZ-CB 4.1Å; F183-F223 HydrophobicContact CD1-CD1 4.4Å; F183-F223 AromaticContact CD1-CE1 3.9Å; F183-F223 HydrophobicContact CD1-CE1 3.9Å; F183-F223 AromaticContact CD2-CE1 3.98Å; F183-F223 HydrophobicContact CD2-CE1 3.98Å; F183-F223 HydrophobicContact CD2-CZ 4.36Å; F183-F223 HydrophobicContact CE1-CD1 4.24Å; F183-F223 AromaticContact CE1-CE1 3.76Å; F183-F223 HydrophobicContact CE1-CE1 3.76Å; F183-F223 AromaticContact CE2-CE1 3.86Å; F183-F223 HydrophobicContact CE2-CE1 3.86Å; F183-F223 HydrophobicContact CE2-CZ 4.4Å; F183-F223 HydrophobicContact CG-CE1 4.02Å; F183-F223 AromaticContact CZ-CE1 3.76Å; F183-F223 HydrophobicContact CZ-CE1 3.76Å
184S97.8Very high95.9Very high53 Ų5339.3 Ų39.337%0.37120%0.204SC..Hα-helixtrans-78.7-39.3178-55.10000111.1R180 E181 V186 L187 Q188R180-S184 VanDerWaalsContact O-CB 3.31Å; R180-S184 WeakPolarHBondContact O-CB 3.34Å; R180-S184 PolarHBondContact O-N 3.04Å; R180-S184 PolarHBondContact O-OG 3.14Å; E181-S184 PolarHBondContact O-N 3Å; S184-V186 VanDerWaalsContact C-N 3.34Å; S184-V186 PolarHBondContact O-N 3.39Å; S184-L187 PolarHBondContact O-N 3.22Å; S184-L187 VanDerWaalsContact O-N 3.14Å; S184-Q188 PolarHBondContact O-N 3.05Å
185S97.7Very high96.1Very high8 Ų838.6 Ų38.66%0.05620%0.197CC..Hα-helixtrans-61.4-42-177.772.80000111.3E181 L182 L187 Q188 E189E181-S185 WeakPolarHBondContact O-CB 3.42Å; E181-S185 PolarHBondContact O-N 2.86Å; E181-S185 PolarHBondContact O-OG 3.24Å; L182-S185 PolarHBondContact O-OG 3.01Å; S185-L187 VanDerWaalsContact C-N 3.28Å; S185-L187 PolarHBondContact O-N 3.46Å; S185-Q188 WeakPolarHBondContact O-CB 3.38Å; S185-Q188 PolarHBondContact O-N 3.17Å; S185-Q188 VanDerWaalsContact O-N 3.09Å; S185-E189 VanDerWaalsContact O-CG 3.28Å; S185-E189 WeakPolarHBondContact O-CG 3.36Å; S185-E189 PolarHBondContact O-N 3.14Å
186V98.3Very high96.2Very high0 Ų037.8 Ų37.80%019%0.188CC..Hα-helixtrans-62.8-34.2177.966.40000112.7V123 A125 F183 S184 I190 P204 F223V123-V186 HydrophobicContact CB-CB 4.34Å; V123-V186 HydrophobicContact CG2-CB 4.16Å; A125-V186 HydrophobicContact CB-CG2 3.75Å; F183-V186 WeakPolarHBondContact O-CG1 3.44Å; S184-V186 VanDerWaalsContact C-N 3.34Å; S184-V186 PolarHBondContact O-N 3.39Å; V186-I190 WeakPolarHBondContact O-CD1 3.34Å; V186-I190 VanDerWaalsContact O-CG1 3.27Å; V186-I190 WeakPolarHBondContact O-CG1 3.27Å; V186-I190 PolarHBondContact O-N 3.37Å; V186-P204 HydrophobicContact CG1-CB 4.06Å; V186-P204 HydrophobicContact CG1-CG 3.66Å; V186-F223 HydrophobicContact CB-CD2 4.21Å; V186-F223 HydrophobicContact CG1-CD1 4.48Å; V186-F223 HydrophobicContact CG1-CD2 4.17Å; V186-F223 HydrophobicContact CG1-CE2 4.49Å; V186-F223 HydrophobicContact CG1-CG 4.16Å; V186-F223 HydrophobicContact CG2-CB 4.31Å; V186-F223 HydrophobicContact CG2-CD2 4.11Å; V186-F223 HydrophobicContact CG2-CG 4.41Å
187L98.4Very high96.3Very high13 Ų1332.8 Ų32.87%0.06817%0.17CC..Hα-helixtrans-71.1-40.1173.2-64.2179.8000111.4S184 S185 I190 C191 L198 L201 P204 V225S184-L187 PolarHBondContact O-N 3.22Å; S184-L187 VanDerWaalsContact O-N 3.14Å; S185-L187 VanDerWaalsContact C-N 3.28Å; S185-L187 PolarHBondContact O-N 3.46Å; L187-I190 PolarHBondContact O-N 2.96Å; L187-C191 PolarHBondContact O-N 3.42Å; L187-C191 PolarHBondContact O-SG 2.72Å; L187-C191 VanDerWaalsContact O-SG 3.39Å; L187-L198 HydrophobicContact CB-CD1 3.92Å; L187-L198 HydrophobicContact CD1-CD1 4.04Å; L187-L201 HydrophobicContact CD2-CB 3.99Å; L187-L201 HydrophobicContact CD2-CD1 4.07Å; L187-P204 HydrophobicContact CD1-CG 4.24Å; L187-P204 HydrophobicContact CD2-CG 3.8Å; L187-P204 HydrophobicContact CG-CG 3.8Å; L187-V225 HydrophobicContact CD2-CG1 3.99Å; L187-V225 HydrophobicContact CD2-CG2 4.22Å
188Q96.4Very high96.5Very high97 Ų9735.2 Ų35.245%0.45318%0.182SC..Hα-helixtrans-62.9-44.9178.2-170.459.152.300111.4S184 S185 I190 C191 D192S184-Q188 PolarHBondContact O-N 3.05Å; S185-Q188 WeakPolarHBondContact O-CB 3.38Å; S185-Q188 PolarHBondContact O-N 3.17Å; S185-Q188 VanDerWaalsContact O-N 3.09Å; Q188-I190 VanDerWaalsContact C-N 3.31Å; Q188-I190 PolarHBondContact O-N 3.11Å; Q188-C191 CarbonylContact O-C 3.54Å; Q188-C191 WeakPolarHBondContact O-CA 3.4Å; Q188-C191 WeakPolarHBondContact O-CB 3.37Å; Q188-C191 PolarHBondContact O-N 2.96Å; Q188-D192 WeakPolarHBondContact CG-OD2 3.47Å; Q188-D192 PolarHBondContact NE2-OD1 2.67Å; Q188-D192 PolarHBondContact NE2-OD2 2.83Å; Q188-D192 WeakPolarHBondContact O-CB 3.44Å; Q188-D192 VanDerWaalsContact O-CG 3.3Å; Q188-D192 PolarHBondContact O-N 2.91Å
189E95.9Very high96.6Very high47 Ų4743.5 Ų43.522%0.2223%0.226CC..Hα-helixtrans-60.2-39.9175.4-63.8-68.3-172.500111.6G155 S185 D192 E193G155-E189 WeakPolarHBondContact CA-OE1 3.2Å; S185-E189 VanDerWaalsContact O-CG 3.28Å; S185-E189 WeakPolarHBondContact O-CG 3.36Å; S185-E189 PolarHBondContact O-N 3.14Å; E189-D192 PolarHBondContact O-N 3.15Å; E189-E193 WeakPolarHBondContact O-CB 3.29Å; E189-E193 PolarHBondContact O-N 3.08Å
190I96.4Very high96.7Very high0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-63.1-43.5173.7-66.8162.4000110.8A125 L127 P153 V186 L187 Q188 V194 L196 L201 V225A125-I190 HydrophobicContact CB-CD1 3.91Å; A125-I190 HydrophobicContact CB-CG1 4.43Å; L127-I190 HydrophobicContact CD1-CD1 4.36Å; L127-I190 HydrophobicContact CD2-CG2 3.84Å; P153-I190 HydrophobicContact CB-CG1 3.81Å; V186-I190 WeakPolarHBondContact O-CD1 3.34Å; V186-I190 VanDerWaalsContact O-CG1 3.27Å; V186-I190 WeakPolarHBondContact O-CG1 3.27Å; V186-I190 PolarHBondContact O-N 3.37Å; L187-I190 PolarHBondContact O-N 2.96Å; Q188-I190 VanDerWaalsContact C-N 3.31Å; Q188-I190 PolarHBondContact O-N 3.11Å; I190-V194 HydrophobicContact CG2-CB 4.41Å; I190-V194 HydrophobicContact CG2-CG2 4.37Å; I190-V194 WeakPolarHBondContact O-CA 3.47Å; I190-V194 WeakPolarHBondContact O-CB 3.5Å; I190-V194 PolarHBondContact O-N 3.39Å; I190-L196 HydrophobicContact CG2-CB 4.41Å; I190-L196 HydrophobicContact CG2-CD1 3.96Å; I190-L196 HydrophobicContact CG2-CG 4.48Å; I190-L201 HydrophobicContact CB-CD1 4.08Å; I190-L201 HydrophobicContact CG2-CD1 3.7Å; I190-L201 HydrophobicContact CG2-CD2 4.04Å; I190-V225 HydrophobicContact CD1-CB 4.21Å; I190-V225 HydrophobicContact CD1-CG1 4.2Å; I190-V225 HydrophobicContact CD1-CG2 4.05Å
191C95.4Very high96.8Very high20 Ų2039.7 Ų39.714%0.13521%0.214CC..Hα-helixtrans-63.6-44.6177.8-73.30000111.8L187 Q188 N195 L196L187-C191 PolarHBondContact O-N 3.42Å; L187-C191 PolarHBondContact O-SG 2.72Å; L187-C191 VanDerWaalsContact O-SG 3.39Å; Q188-C191 CarbonylContact O-C 3.54Å; Q188-C191 WeakPolarHBondContact O-CA 3.4Å; Q188-C191 WeakPolarHBondContact O-CB 3.37Å; Q188-C191 PolarHBondContact O-N 2.96Å; C191-N195 WeakPolarHBondContact O-CA 3.4Å; C191-N195 PolarHBondContact O-N 3.29Å; C191-L196 PolarHBondContact SG-O 3.44Å
192D92.3Very high96.8Very high102 Ų10240.5 Ų40.555%0.54522%0.223SC..Hα-helixtrans-73.9-43.1-174.5-67.8-21.5000111.9Q188 E189Q188-D192 WeakPolarHBondContact CG-OD2 3.47Å; Q188-D192 PolarHBondContact NE2-OD1 2.67Å; Q188-D192 PolarHBondContact NE2-OD2 2.83Å; Q188-D192 WeakPolarHBondContact O-CB 3.44Å; Q188-D192 VanDerWaalsContact O-CG 3.3Å; Q188-D192 PolarHBondContact O-N 2.91Å; E189-D192 PolarHBondContact O-N 3.15Å
193E92.1Very high96.9Very high21 Ų2146.7 Ų46.710%0.09825%0.251CS..Hα-helixtrans-87.8-38-176.7-165.2176.8-172.500113.1L137 E189 S248L137-E193 HydrophobicContact CD1-CG 3.89Å; L137-E193 WeakPolarHBondContact CD1-OE1 3.28Å; L137-E193 WeakPolarHBondContact CD1-OE2 3.14Å; E189-E193 WeakPolarHBondContact O-CB 3.29Å; E189-E193 PolarHBondContact O-N 3.08Å; E193-S248 WeakPolarHBondContact OE1-CB 3.49Å; E193-S248 PolarHBondContact OE1-OG 3.05Å
194V94.6Very high96.9Very high0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-96.5-8.7-176.1-161.20000112.3L137 P153 I190 L196 V234 Y238 I251L137-V194 HydrophobicContact CD1-CG2 4.38Å; P153-V194 HydrophobicContact CB-CG2 4.22Å; P153-V194 HydrophobicContact CG-CG2 3.92Å; I190-V194 HydrophobicContact CG2-CB 4.41Å; I190-V194 HydrophobicContact CG2-CG2 4.37Å; I190-V194 WeakPolarHBondContact O-CA 3.47Å; I190-V194 WeakPolarHBondContact O-CB 3.5Å; I190-V194 PolarHBondContact O-N 3.39Å; V194-L196 HydrophobicContact CB-CD1 4.35Å; V194-L196 HydrophobicContact CB-CG 4.02Å; V194-L196 HydrophobicContact CG1-CD1 4.01Å; V194-L196 HydrophobicContact CG1-CD2 4.32Å; V194-L196 HydrophobicContact CG1-CG 3.83Å; V194-L196 PolarHBondContact O-N 3.37Å; V194-V234 HydrophobicContact CG1-CG1 3.9Å; V194-Y238 WeakPolarHBondContact O-CA 3.43Å; V194-Y238 PolarHBondContact O-N 2.95Å; V194-I251 HydrophobicContact CG1-CD1 3.88Å
195N95.7Very high96.9Very high63 Ų6346.3 Ų46.334%0.33725%0.246SC..  trans58.135.2180-168.837.5000113.3C191 H237 S240 G241C191-N195 WeakPolarHBondContact O-CA 3.4Å; C191-N195 PolarHBondContact O-N 3.29Å; N195-H237 PolarHBondContact ND2-O 2.74Å; N195-H237 WeakPolarHBondContact O-CB 3.31Å; N195-H237 PolarHBondContact O-ND1 3.24Å; N195-H237 VanDerWaalsContact O-ND1 3.15Å; N195-S240 PolarHBondContact ND2-OG 3.38Å; N195-G241 VanDerWaalsContact ND2-CA 3.34Å; N195-G241 WeakPolarHBondContact ND2-CA 3.43Å; N195-G241 PolarHBondContact ND2-N 3.34Å
196L96.4Very high97Very high5 Ų546.1 Ų46.13%0.02624%0.244CC..  trans-89.2138.7178.4-62.4-174.2000111.4L127 I190 C191 V194 L198 L201 L229 V234 H237L127-L196 HydrophobicContact CD2-CD1 4.03Å; I190-L196 HydrophobicContact CG2-CB 4.41Å; I190-L196 HydrophobicContact CG2-CD1 3.96Å; I190-L196 HydrophobicContact CG2-CG 4.48Å; C191-L196 PolarHBondContact SG-O 3.44Å; V194-L196 HydrophobicContact CB-CD1 4.35Å; V194-L196 HydrophobicContact CB-CG 4.02Å; V194-L196 HydrophobicContact CG1-CD1 4.01Å; V194-L196 HydrophobicContact CG1-CD2 4.32Å; V194-L196 HydrophobicContact CG1-CG 3.83Å; V194-L196 PolarHBondContact O-N 3.37Å; L196-L198 PolarHBondContact O-N 2.9Å; L196-L201 HydrophobicContact CD1-CD2 4.08Å; L196-L229 HydrophobicContact CD2-CD1 4.18Å; L196-V234 HydrophobicContact CD1-CG1 4.33Å; L196-V234 HydrophobicContact CD1-CG2 4.26Å; L196-V234 HydrophobicContact CD2-CB 4.32Å; L196-V234 HydrophobicContact CD2-CG1 4.16Å; L196-V234 HydrophobicContact CD2-CG2 4.07Å; L196-H237 HydrophobicContact CD2-CB 3.69Å
197P97.6Very high97Very high58 Ų5846.1 Ų46.138%0.37724%0.244SC..  trans-64.7132172.7-16.830.2000110.8L199 T200P197-L199 PolarHBondContact O-N 3.15Å; P197-T200 HydrophobicContact CB-CG2 4.24Å; P197-T200 HydrophobicContact CG-CG2 4.3Å; P197-T200 PolarHBondContact O-N 3.46Å; P197-T200 PolarHBondContact O-OG1 3.05Å
198L97.9Very high97Very high97 Ų9745.5 Ų45.551%0.50824%0.241SC..G310 helixtrans-52.4-35.1-179.3-177.861.7000113.4L187 L196 T200 L201L187-L198 HydrophobicContact CB-CD1 3.92Å; L187-L198 HydrophobicContact CD1-CD1 4.04Å; L196-L198 PolarHBondContact O-N 2.9Å; L198-T200 PolarHBondContact O-N 3.13Å; L198-L201 PolarHBondContact O-N 2.78Å; L198-L201 VanDerWaalsContact O-N 3.12Å
199L98.3Very high97.2Very high175 Ų17541 Ų4192%0.91622%0.22SC*.G310 helixtrans-66.1-15.2-179.9-65.2175000114.2P197 L201P197-L199 PolarHBondContact O-N 3.15Å; L199-L201 VanDerWaalsContact C-N 3.35Å
200T98.8Very high97.3Very high21 Ų2138.9 Ų38.913%0.12921%0.21CC..G310 helixtrans-88-5.7176.165.90000112.8P197 L198 C227 S228 L229P197-T200 HydrophobicContact CB-CG2 4.24Å; P197-T200 HydrophobicContact CG-CG2 4.3Å; P197-T200 PolarHBondContact O-N 3.46Å; P197-T200 PolarHBondContact O-OG1 3.05Å; L198-T200 PolarHBondContact O-N 3.13Å; T200-C227 CarbonylContact O-C 3.54Å; T200-C227 VanDerWaalsContact O-CA 3.27Å; T200-C227 WeakPolarHBondContact O-CA 3.5Å; T200-S228 WeakPolarHBondContact CB-OG 3.42Å; T200-S228 PolarHBondContact O-N 2.73Å; T200-L229 HydrophobicContact CG2-CD1 4.1Å; T200-L229 HydrophobicContact CG2-CD2 4.11Å; T200-L229 HydrophobicContact CG2-CG 3.94Å
201L98.9Very high97.4Very high18 Ų1841.7 Ų41.79%0.09422%0.221CC..BIsolated β-bridgetrans-102.2134.6-175.4-54.9178.7000111.2L127 L187 I190 L196 L198 L199 V225 C227L127-L201 HydrophobicContact CD1-CD2 4.13Å; L187-L201 HydrophobicContact CD2-CB 3.99Å; L187-L201 HydrophobicContact CD2-CD1 4.07Å; I190-L201 HydrophobicContact CB-CD1 4.08Å; I190-L201 HydrophobicContact CG2-CD1 3.7Å; I190-L201 HydrophobicContact CG2-CD2 4.04Å; L196-L201 HydrophobicContact CD1-CD2 4.08Å; L198-L201 PolarHBondContact O-N 2.78Å; L198-L201 VanDerWaalsContact O-N 3.12Å; L199-L201 VanDerWaalsContact C-N 3.35Å; L201-V225 HydrophobicContact CB-CG1 4.1Å; L201-V225 HydrophobicContact CD2-CG1 4.29Å; L201-C227 HydrophobicContact CD2-CB 4.19Å
202S98.8Very high97.5Very high42 Ų4241.1 Ų41.129%0.29422%0.216SC..PPolyproline II helixtrans-69.3163.4171760000111.3Q226S202-Q226 PolarHBondContact N-O 2.99Å; S202-Q226 PolarHBondContact OG-N 3.36Å
203Q98.6Very high97.7Very high133 Ų13338.6 Ų38.662%0.62120%0.201SC*.PPolyproline II helixtrans-60.9138164.4-68.1-61.6-4500109.9
204P98.8Very high97.9Very high2 Ų241.6 Ų41.61%0.01322%0.221CC..PPolyproline II helixtrans-69.4150.2-178.6-18.931.2000112.7F183 V186 L187 F223 Y224 V225F183-P204 HydrophobicContact CD1-CB 3.96Å; F183-P204 HydrophobicContact CD1-CG 4.3Å; F183-P204 HydrophobicContact CE1-CB 4.46Å; F183-P204 WeakPolarHBondContact CE1-O 3.44Å; V186-P204 HydrophobicContact CG1-CB 4.06Å; V186-P204 HydrophobicContact CG1-CG 3.66Å; L187-P204 HydrophobicContact CD1-CG 4.24Å; L187-P204 HydrophobicContact CD2-CG 3.8Å; L187-P204 HydrophobicContact CG-CG 3.8Å; P204-F223 HydrophobicContact CB-CB 4.22Å; P204-F223 HydrophobicContact CB-CD1 3.7Å; P204-F223 HydrophobicContact CB-CE1 4.46Å; P204-F223 HydrophobicContact CB-CG 4.25Å; P204-Y224 WeakPolarHBondContact CA-O 3.48Å; P204-V225 HydrophobicContact CB-CG2 3.99Å; P204-V225 HydrophobicContact CG-CG2 4.12Å
205L98.8Very high98.1Very high51 Ų5141.7 Ų41.727%0.26722%0.222SC..EExtended strand (participates in β ladder)trans-114.1126.2166.3-63.1177.8000109.4P17 L207 F223 Y224P17-L205 HydrophobicContact CB-CD2 3.98Å; L205-L207 PolarHBondContact O-N 2.92Å; L205-F223 CarbonylContact O-C 3.57Å; L205-F223 VanDerWaalsContact O-CA 3.25Å; L205-F223 WeakPolarHBondContact O-CA 3.41Å; L205-Y224 HydrophobicContact CD1-CD1 4.32Å; L205-Y224 PolarHBondContact N-O 3.45Å; L205-Y224 PolarHBondContact O-N 3.17Å
206L98.8Very high98.2Very high4 Ų439.2 Ų39.22%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-72.4116.7175.2179.366000109.6C11 G15 L16 V21 L78 F183 G208 A221 F223C11-L206 WeakPolarHBondContact CB-O 3.47Å; C11-L206 PolarHBondContact SG-O 2.92Å; C11-L206 VanDerWaalsContact SG-O 3.34Å; G15-L206 CarbonylContact C-O 3.6Å; G15-L206 WeakPolarHBondContact CA-O 3.43Å; L16-L206 PolarHBondContact N-O 3.09Å; L16-L206 PolarHBondContact O-N 3.19Å; V21-L206 HydrophobicContact CG2-CD2 4.37Å; L78-L206 HydrophobicContact CD2-CD2 3.4Å; F183-L206 HydrophobicContact CZ-CB 4.1Å; L206-G208 WeakPolarHBondContact CD1-O 3.22Å; L206-A221 HydrophobicContact CD1-CB 3.93Å; L206-F223 HydrophobicContact CB-CD1 4.16Å; L206-F223 HydrophobicContact CB-CE1 3.95Å; L206-F223 HydrophobicContact CD1-CD1 4.29Å; L206-F223 HydrophobicContact CD1-CE1 3.94Å; L206-F223 HydrophobicContact CD1-CE2 4.26Å; L206-F223 HydrophobicContact CD1-CZ 3.93Å
207L98.8Very high98.2Very high0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-84.3-34.4178.2-56.8178.5000111.6C11 A126 L205 E222 L281 V285 Q286C11-L207 VanDerWaalsContact CB-O 3.25Å; C11-L207 WeakPolarHBondContact CB-O 3.47Å; C11-L207 PolarHBondContact N-O 2.82Å; A126-L207 HydrophobicContact CB-CD1 4.42Å; L205-L207 PolarHBondContact O-N 2.92Å; L207-E222 WeakPolarHBondContact CB-O 3.34Å; L207-E222 PolarHBondContact N-O 3.24Å; L207-L281 HydrophobicContact CB-CB 3.98Å; L207-L281 HydrophobicContact CD1-CB 4.46Å; L207-V285 HydrophobicContact CB-CB 4.48Å; L207-V285 HydrophobicContact CD2-CB 4.04Å; L207-V285 HydrophobicContact CD2-CG1 3.71Å; L207-Q286 HydrophobicContact CD2-CG 3.82Å
208G98.7Very high98.2Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans163.4-164-176.800000112.9L9 L206 E222L9-G208 CarbonylContact O-C 3.58Å; L9-G208 WeakPolarHBondContact O-CA 3.28Å; L206-G208 WeakPolarHBondContact CD1-O 3.22Å; G208-E222 PolarHBondContact N-O 3.22Å; G208-E222 PolarHBondContact O-N 3.39Å
209I98.9Very high98.2Very high2 Ų232.2 Ų32.21%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-134127.5179.7-57.6173.7000108.2L8 L9 L63 A66 L80 A219 S220L8-I209 HydrophobicContact CB-CB 4.27Å; L8-I209 HydrophobicContact CB-CG2 4.16Å; L8-I209 HydrophobicContact CD2-CG2 4Å; L8-I209 PolarHBondContact N-O 3.49Å; L9-I209 HydrophobicContact CB-CB 3.92Å; L9-I209 HydrophobicContact CB-CD1 4.32Å; L9-I209 HydrophobicContact CB-CG1 4.09Å; L9-I209 HydrophobicContact CD2-CD1 4.03Å; L9-I209 HydrophobicContact CD2-CG1 4.14Å; L9-I209 PolarHBondContact N-O 3.07Å; L9-I209 VanDerWaalsContact N-O 3.14Å; L9-I209 PolarHBondContact O-N 3.47Å; L63-I209 HydrophobicContact CD2-CD1 4.18Å; L63-I209 HydrophobicContact CD2-CG2 3.83Å; A66-I209 HydrophobicContact CB-CD1 3.72Å; L80-I209 HydrophobicContact CD2-CD1 4.02Å; I209-A219 HydrophobicContact CG2-CB 3.87Å; I209-S220 WeakPolarHBondContact CA-O 3.33Å; I209-S220 WeakPolarHBondContact CG2-O 3.43Å
210A98.6Very high98.3Very high2 Ų224.3 Ų24.32%0.01713%0.129CC..EExtended strand (participates in β ladder)trans-114151.9174.800000110.4V5 T6 L7 A219 S220 E222 L281V5-A210 HydrophobicContact CG1-CB 4.18Å; T6-A210 CarbonylContact O-C 3.49Å; T6-A210 WeakPolarHBondContact O-CA 3.43Å; L7-A210 HydrophobicContact CD2-CB 4.1Å; A210-A219 CarbonylContact O-C 3.55Å; A210-A219 VanDerWaalsContact O-CA 3.27Å; A210-A219 WeakPolarHBondContact O-CA 3.14Å; A210-S220 PolarHBondContact N-O 3.24Å; A210-S220 PolarHBondContact O-N 3.47Å; A210-E222 HydrophobicContact CB-CG 4.45Å; A210-L281 HydrophobicContact CB-CD1 4.48Å
211R98.4Very high98.3Very high59 Ų5923.6 Ų23.622%0.22313%0.125CC..EExtended strand (participates in β ladder)trans-111.5138175.2-67.7-178.9170.8179.7-4.8110.3V5 T6 L8 G217 R218 A219V5-R211 WeakPolarHBondContact CA-O 3.42Å; T6-R211 PolarHBondContact N-O 2.78Å; T6-R211 VanDerWaalsContact N-O 3.17Å; T6-R211 PolarHBondContact O-N 2.85Å; T6-R211 WeakPolarHBondContact OG1-CB 3.46Å; L8-R211 HydrophobicContact CB-CG 4.46Å; R211-G217 WeakPolarHBondContact CG-O 3.35Å; R211-R218 WeakPolarHBondContact CA-O 3.34Å; R211-A219 HydrophobicContact CG-CB 4.19Å
212N97.9Very high98.3Very high9 Ų922.8 Ų22.85%0.04812%0.121CC..EExtended strand (participates in β ladder)trans-92.1102.3170.7178.1-2.4000109.5T214 S215 G217 R218 P273N212-T214 VanDerWaalsContact C-N 3.27Å; N212-T214 PolarHBondContact ND2-OG1 2.85Å; N212-T214 PolarHBondContact O-N 2.67Å; N212-T214 WeakPolarHBondContact OD1-CA 3.29Å; N212-T214 WeakPolarHBondContact OD1-CB 3.12Å; N212-T214 PolarHBondContact OD1-N 2.78Å; N212-T214 PolarHBondContact OD1-OG1 3.29Å; N212-S215 CarbonylContact O-C 2.89Å; N212-S215 PolarHBondContact O-N 3.05Å; N212-S215 PolarHBondContact OD1-N 3.2Å; N212-G217 VanDerWaalsContact O-CA 3.26Å; N212-G217 WeakPolarHBondContact O-CA 3.49Å; N212-G217 PolarHBondContact O-N 3.17Å; N212-R218 HydrophobicContact CB-CG 4.28Å; N212-R218 PolarHBondContact N-O 2.85Å; N212-P273 HydrophobicContact CB-CB 4.02Å; N212-P273 VanDerWaalsContact CG-CB 3.48Å; N212-P273 WeakPolarHBondContact OD1-CB 3.49Å; N212-P273 WeakPolarHBondContact OD1-CG 3.38Å
213E97.4Very high98.3Very high48 Ų4820.9 Ų20.922%0.22411%0.108CC..G310 helixtrans-71.5-21.7-179.5-61.6-60.216000112.9E4 T6 R103 S215 A216E4-E213 PolarHBondContact O-N 2.84Å; T6-E213 HydrophobicContact CG2-CG 3.88Å; T6-E213 WeakPolarHBondContact CG2-OE1 3.4Å; T6-E213 PolarHBondContact OG1-OE1 3.13Å; R103-E213 IonicContact CZ-OE2 3.3Å; R103-E213 IonicContact NH1-OE2 3.63Å; R103-E213 PolarHBondContact NH1-OE2 2.92Å; R103-E213 IonicContact NH2-OE2 2.92Å; R103-E213 PolarHBondContact NH2-OE2 3.48Å; R103-E213 VanDerWaalsContact NH2-OE2 3.1Å; E213-S215 PolarHBondContact O-N 3.41Å; E213-A216 PolarHBondContact O-N 3.06Å
214T96.2Very high98.3Very high84 Ų8416.3 Ų16.352%0.5159%0.085SC..G310 helixtrans-70.3-20.2173.475.40000112.4E4 N212 P273E4-T214 HydrophobicContact CB-CG2 3.8Å; E4-T214 HydrophobicContact CG-CG2 3.66Å; N212-T214 VanDerWaalsContact C-N 3.27Å; N212-T214 PolarHBondContact ND2-OG1 2.85Å; N212-T214 PolarHBondContact O-N 2.67Å; N212-T214 WeakPolarHBondContact OD1-CA 3.29Å; N212-T214 WeakPolarHBondContact OD1-CB 3.12Å; N212-T214 PolarHBondContact OD1-N 2.78Å; N212-T214 PolarHBondContact OD1-OG1 3.29Å; T214-P273 HydrophobicContact CG2-CG 4.14Å
215S97.1Very high98.3Very high2 Ų216.2 Ų16.21%0.0148%0.084CC..G310 helixtrans-113.143.2176.9-162.40000110.9N94 N212 E213 G217 R218N94-S215 PolarHBondContact ND2-O 2.82Å; N212-S215 CarbonylContact O-C 2.89Å; N212-S215 PolarHBondContact O-N 3.05Å; N212-S215 PolarHBondContact OD1-N 3.2Å; E213-S215 PolarHBondContact O-N 3.41Å; S215-G217 PolarHBondContact O-N 2.78Å; S215-G217 VanDerWaalsContact O-N 3.13Å; S215-R218 PolarHBondContact O-N 2.72Å; S215-R218 WeakPolarHBondContact OG-CD 3.46Å
216A97.9Very high98.3Very high11 Ų1116.4 Ų16.49%0.0918%0.084CC..THydrogen-bonded Turntrans57.625.5177.200000115.4N94 A99 Q114 L117 E213N94-A216 HydrophobicContact CB-CB 4.48Å; A99-A216 HydrophobicContact CB-CB 3.84Å; Q114-A216 PolarHBondContact NE2-O 3.37Å; L117-A216 HydrophobicContact CD1-CB 3.86Å; L117-A216 VanDerWaalsContact CD1-O 3.28Å; L117-A216 WeakPolarHBondContact CD1-O 3.37Å; E213-A216 PolarHBondContact O-N 3.06Å
217G97.8Very high98.3Very high0 Ų016.3 Ų16.30%08%0.083CC..THydrogen-bonded Turntrans89.712.717600000114.8R211 N212 S215R211-G217 WeakPolarHBondContact CG-O 3.35Å; N212-G217 VanDerWaalsContact O-CA 3.26Å; N212-G217 WeakPolarHBondContact O-CA 3.49Å; N212-G217 PolarHBondContact O-N 3.17Å; S215-G217 PolarHBondContact O-N 2.78Å; S215-G217 VanDerWaalsContact O-N 3.13Å
218R97.4Very high98.3Very high9 Ų920.1 Ų20.13%0.03411%0.11CC..EExtended strand (participates in β ladder)trans-54.9141.9175.180.5175.5-177.673.8-6110.3E145 H156 R211 N212 S215E145-R218 IonicContact OE1-CZ 3.08Å; E145-R218 VanDerWaalsContact OE1-CZ 3.3Å; E145-R218 IonicContact OE1-NE 3.64Å; E145-R218 PolarHBondContact OE1-NE 2.79Å; E145-R218 IonicContact OE1-NH2 3.94Å; E145-R218 PolarHBondContact OE1-NH2 3.12Å; E145-R218 IonicContact OE2-CZ 3.04Å; E145-R218 IonicContact OE2-NE 2.84Å; E145-R218 IonicContact OE2-NH2 3.1Å; E145-R218 PolarHBondContact OE2-NH2 3.14Å; H156-R218 PolarHBondContact NE2-NH1 3.19Å; R211-R218 WeakPolarHBondContact CA-O 3.34Å; N212-R218 HydrophobicContact CB-CG 4.28Å; N212-R218 PolarHBondContact N-O 2.85Å; S215-R218 PolarHBondContact O-N 2.72Å; S215-R218 WeakPolarHBondContact OG-CD 3.46Å
219A98.4Very high98.3Very high4 Ų421.2 Ų21.23%0.03312%0.116CC..EExtended strand (participates in β ladder)trans-104.7152.2-172.900000113.1L63 G122 I209 A210 R211L63-A219 HydrophobicContact CD2-CB 3.5Å; G122-A219 PolarHBondContact N-O 3.14Å; I209-A219 HydrophobicContact CG2-CB 3.87Å; A210-A219 CarbonylContact O-C 3.55Å; A210-A219 VanDerWaalsContact O-CA 3.27Å; A210-A219 WeakPolarHBondContact O-CA 3.14Å; R211-A219 HydrophobicContact CG-CB 4.19Å
220S98.6Very high98.3Very high9 Ų923.2 Ų23.26%0.06313%0.128CC..EExtended strand (participates in β ladder)trans-129136.6169.8-71.40000110.1G122 I209 A210 E222G122-S220 CarbonylContact O-C 3.5Å; G122-S220 WeakPolarHBondContact O-CA 3.35Å; I209-S220 WeakPolarHBondContact CA-O 3.33Å; I209-S220 WeakPolarHBondContact CG2-O 3.43Å; A210-S220 PolarHBondContact N-O 3.24Å; A210-S220 PolarHBondContact O-N 3.47Å; S220-E222 WeakPolarHBondContact CB-OE1 3.2Å
221A98.8Very high98.3Very high6 Ų624.1 Ų24.15%0.0513%0.134CC..EExtended strand (participates in β ladder)trans-84.2122.1169.800000109.2L121 G122 V123 G124 L206 F223L121-A221 HydrophobicContact CD1-CB 4.27Å; G122-A221 PolarHBondContact O-N 2.87Å; V123-A221 WeakPolarHBondContact CA-O 3.4Å; G124-A221 PolarHBondContact N-O 3.15Å; L206-A221 HydrophobicContact CD1-CB 3.93Å; A221-F223 HydrophobicContact CB-CE2 3.83Å; A221-F223 HydrophobicContact CB-CZ 4.3Å; A221-F223 WeakPolarHBondContact O-CD2 3.47Å
222E98.9Very high98.3Very high1 Ų128.7 Ų28.71%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-105.7126.7-173.1-52.1-58.1164.500110.5G124 L207 G208 A210 S220 A278 L281G124-E222 WeakPolarHBondContact CA-OE2 3.28Å; L207-E222 WeakPolarHBondContact CB-O 3.34Å; L207-E222 PolarHBondContact N-O 3.24Å; G208-E222 PolarHBondContact N-O 3.22Å; G208-E222 PolarHBondContact O-N 3.39Å; A210-E222 HydrophobicContact CB-CG 4.45Å; S220-E222 WeakPolarHBondContact CB-OE1 3.2Å; E222-A278 HydrophobicContact CB-CB 4.35Å; E222-A278 HydrophobicContact CG-CB 4.24Å; E222-A278 WeakPolarHBondContact OE2-CB 3.31Å; E222-L281 HydrophobicContact CB-CD1 3.74Å; E222-L281 HydrophobicContact CG-CD1 3.72Å
223F98.9Very high98.3Very high3 Ų332.5 Ų32.51%0.01318%0.176CC..EExtended strand (participates in β ladder)trans-112.8157.9-174.6-64.7-93.6000111.9V123 G124 A125 A126 F183 V186 P204 L205 L206 A221V123-F223 HydrophobicContact CB-CD2 4.47Å; V123-F223 HydrophobicContact CB-CE2 4.11Å; V123-F223 HydrophobicContact CG1-CE2 3.97Å; G124-F223 PolarHBondContact O-N 2.8Å; A125-F223 CarbonylContact C-O 3.56Å; A125-F223 WeakPolarHBondContact CA-O 3.32Å; A126-F223 PolarHBondContact N-O 3.5Å; F183-F223 HydrophobicContact CD1-CD1 4.4Å; F183-F223 AromaticContact CD1-CE1 3.9Å; F183-F223 HydrophobicContact CD1-CE1 3.9Å; F183-F223 AromaticContact CD2-CE1 3.98Å; F183-F223 HydrophobicContact CD2-CE1 3.98Å; F183-F223 HydrophobicContact CD2-CZ 4.36Å; F183-F223 HydrophobicContact CE1-CD1 4.24Å; F183-F223 AromaticContact CE1-CE1 3.76Å; F183-F223 HydrophobicContact CE1-CE1 3.76Å; F183-F223 AromaticContact CE2-CE1 3.86Å; F183-F223 HydrophobicContact CE2-CE1 3.86Å; F183-F223 HydrophobicContact CE2-CZ 4.4Å; F183-F223 HydrophobicContact CG-CE1 4.02Å; F183-F223 AromaticContact CZ-CE1 3.76Å; F183-F223 HydrophobicContact CZ-CE1 3.76Å; V186-F223 HydrophobicContact CB-CD2 4.21Å; V186-F223 HydrophobicContact CG1-CD1 4.48Å; V186-F223 HydrophobicContact CG1-CD2 4.17Å; V186-F223 HydrophobicContact CG1-CE2 4.49Å; V186-F223 HydrophobicContact CG1-CG 4.16Å; V186-F223 HydrophobicContact CG2-CB 4.31Å; V186-F223 HydrophobicContact CG2-CD2 4.11Å; V186-F223 HydrophobicContact CG2-CG 4.41Å; P204-F223 HydrophobicContact CB-CB 4.22Å; P204-F223 HydrophobicContact CB-CD1 3.7Å; P204-F223 HydrophobicContact CB-CE1 4.46Å; P204-F223 HydrophobicContact CB-CG 4.25Å; L205-F223 CarbonylContact O-C 3.57Å; L205-F223 VanDerWaalsContact O-CA 3.25Å; L205-F223 WeakPolarHBondContact O-CA 3.41Å; L206-F223 HydrophobicContact CB-CD1 4.16Å; L206-F223 HydrophobicContact CB-CE1 3.95Å; L206-F223 HydrophobicContact CD1-CD1 4.29Å; L206-F223 HydrophobicContact CD1-CE1 3.94Å; L206-F223 HydrophobicContact CD1-CE2 4.26Å; L206-F223 HydrophobicContact CD1-CZ 3.93Å; A221-F223 HydrophobicContact CB-CE2 3.83Å; A221-F223 HydrophobicContact CB-CZ 4.3Å; A221-F223 WeakPolarHBondContact O-CD2 3.47Å
224Y98.8Very high98.4Very high36 Ų3630.2 Ų30.214%0.14117%0.165CC..EExtended strand (participates in β ladder)trans-107.7135.1162.2168.6-105000109.5A126 A128 P204 L205 Q226 Y282 Q286A126-Y224 WeakPolarHBondContact O-CD2 3.46Å; A128-Y224 HydrophobicContact CB-CE2 3.72Å; P204-Y224 WeakPolarHBondContact CA-O 3.48Å; L205-Y224 HydrophobicContact CD1-CD1 4.32Å; L205-Y224 PolarHBondContact N-O 3.45Å; L205-Y224 PolarHBondContact O-N 3.17Å; Y224-Q226 HydrophobicContact CE1-CB 4.42Å; Y224-Q226 PolarHBondContact OH-OE1 3.37Å; Y224-Y282 HydrophobicContact CD2-CD2 4.22Å; Y224-Y282 HydrophobicContact CD2-CE2 4.03Å; Y224-Y282 HydrophobicContact CE2-CE2 4.12Å; Y224-Q286 HydrophobicContact CD2-CG 4.38Å; Y224-Q286 HydrophobicContact CG-CG 4.18Å
225V98.9Very high98.4Very high0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans-136129.6176.6-179.30000108.2A125 A126 L127 A128 L187 I190 L201 P204A125-V225 HydrophobicContact CB-CG2 4.46Å; A126-V225 PolarHBondContact O-N 2.91Å; L127-V225 WeakPolarHBondContact CA-O 3.29Å; L127-V225 HydrophobicContact CD1-CB 4.1Å; L127-V225 HydrophobicContact CD1-CG1 4Å; A128-V225 PolarHBondContact N-O 3.04Å; L187-V225 HydrophobicContact CD2-CG1 3.99Å; L187-V225 HydrophobicContact CD2-CG2 4.22Å; I190-V225 HydrophobicContact CD1-CB 4.21Å; I190-V225 HydrophobicContact CD1-CG1 4.2Å; I190-V225 HydrophobicContact CD1-CG2 4.05Å; L201-V225 HydrophobicContact CB-CG1 4.1Å; L201-V225 HydrophobicContact CD2-CG1 4.29Å; P204-V225 HydrophobicContact CB-CG2 3.99Å; P204-V225 HydrophobicContact CG-CG2 4.12Å
226Q98.8Very high98.4Very high56 Ų5638.6 Ų38.626%0.26219%0.191SC..EExtended strand (participates in β ladder)trans-96132173.5-178.563.750.600109.8A128 T129 S202 Y224A128-Q226 PolarHBondContact O-NE2 3.16Å; T129-Q226 PolarHBondContact O-NE2 3.46Å; S202-Q226 PolarHBondContact N-O 2.99Å; S202-Q226 PolarHBondContact OG-N 3.36Å; Y224-Q226 HydrophobicContact CE1-CB 4.42Å; Y224-Q226 PolarHBondContact OH-OE1 3.37Å
227C98.8Very high98.3Very high1 Ų140.7 Ų40.71%0.00720%0.199CC..BIsolated β-bridgetrans-102139.8171.6-172.40000110.4L127 A128 A130 T200 L201 L229L127-C227 HydrophobicContact CD1-CB 4.06Å; A128-C227 WeakPolarHBondContact O-CB 3.48Å; A128-C227 PolarHBondContact O-N 2.74Å; A130-C227 PolarHBondContact N-O 2.77Å; T200-C227 CarbonylContact O-C 3.54Å; T200-C227 VanDerWaalsContact O-CA 3.27Å; T200-C227 WeakPolarHBondContact O-CA 3.5Å; L201-C227 HydrophobicContact CD2-CB 4.19Å; C227-L229 PolarHBondContact O-N 2.99Å; C227-L229 PolarHBondContact SG-N 3.31Å; C227-L229 VanDerWaalsContact SG-N 3.43Å
228S98.8Very high98.2Very high80 Ų8041.9 Ų41.956%0.55920%0.204SC*.SBendtrans-79.4-5.2175.268.90000113.9T200T200-S228 WeakPolarHBondContact CB-OG 3.42Å; T200-S228 PolarHBondContact O-N 2.73Å
229L98.8Very high98Very high23 Ų2347.2 Ų47.212%0.1223%0.232CC..SBendtrans-94.8150.5179.5-58.5-178000111.4T129 A130 L196 T200 C227 Q233 V234T129-L229 WeakPolarHBondContact CB-O 3.26Å; A130-L229 PolarHBondContact N-O 3.27Å; L196-L229 HydrophobicContact CD2-CD1 4.18Å; T200-L229 HydrophobicContact CG2-CD1 4.1Å; T200-L229 HydrophobicContact CG2-CD2 4.11Å; T200-L229 HydrophobicContact CG2-CG 3.94Å; C227-L229 PolarHBondContact O-N 2.99Å; C227-L229 PolarHBondContact SG-N 3.31Å; C227-L229 VanDerWaalsContact SG-N 3.43Å; L229-Q233 HydrophobicContact CB-CB 3.96Å; L229-Q233 HydrophobicContact CD2-CB 4.5Å; L229-V234 HydrophobicContact CB-CG2 3.93Å
230T98.9Very high97.6Very high44 Ų4451 Ų5127%0.2726%0.258SS..  trans-73.9163.1172.167.20000111.6D131 E232 Q233 V234D131-T230 HydrophobicContact CB-CG2 4.43Å; D131-T230 WeakPolarHBondContact OD1-CA 3.35Å; T230-E232 PolarHBondContact O-N 2.67Å; T230-Q233 PolarHBondContact O-N 2.84Å; T230-Q233 VanDerWaalsContact O-N 3.09Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.43Å; T230-Q233 PolarHBondContact OG1-N 3.5Å; T230-Q233 PolarHBondContact OG1-OE1 3.07Å; T230-V234 WeakPolarHBondContact O-CG2 3.33Å; T230-V234 PolarHBondContact O-N 3.03Å
231S98.7Very high96.6Very high21 Ų2152.3 Ų52.315%0.14727%0.274CS..Hα-helixtrans-53.6-39.6174.762.70000112.9D131 V234 R235 F253D131-S231 VanDerWaalsContact CG-N 3.34Å; D131-S231 PolarHBondContact OD1-N 2.99Å; D131-S231 WeakPolarHBondContact OD2-CB 3.43Å; D131-S231 PolarHBondContact OD2-N 2.98Å; D131-S231 VanDerWaalsContact OD2-N 3.12Å; D131-S231 PolarHBondContact OD2-OG 2.86Å; S231-V234 PolarHBondContact O-N 3.1Å; S231-R235 WeakPolarHBondContact O-CB 3.48Å; S231-R235 PolarHBondContact O-N 2.96Å; S231-F253 VanDerWaalsContact O-CZ 3.26Å; S231-F253 WeakPolarHBondContact O-CZ 3.5Å
232E98.6Very high94.9Very high156 Ų15653.8 Ų53.873%0.72929%0.289SS*.Hα-helixtrans-62.9-46.2175.4-173.1-171.9167.100111.9T230 R235 K236T230-E232 PolarHBondContact O-N 2.67Å; E232-R235 PolarHBondContact O-N 2.75Å; E232-K236 PolarHBondContact O-N 3.06Å
233Q98.6Very high92.8Very high88 Ų8859.1 Ų59.141%0.41132%0.324SS..Hα-helixtrans-65.9-43.7178.5-70.7171.8-33.600111.2L229 T230 R235 K236 H237L229-Q233 HydrophobicContact CB-CB 3.96Å; L229-Q233 HydrophobicContact CD2-CB 4.5Å; T230-Q233 PolarHBondContact O-N 2.84Å; T230-Q233 VanDerWaalsContact O-N 3.09Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.43Å; T230-Q233 PolarHBondContact OG1-N 3.5Å; T230-Q233 PolarHBondContact OG1-OE1 3.07Å; Q233-R235 VanDerWaalsContact C-N 3.33Å; Q233-R235 PolarHBondContact O-N 3.3Å; Q233-K236 WeakPolarHBondContact O-CB 3.46Å; Q233-K236 PolarHBondContact O-N 2.87Å; Q233-K236 VanDerWaalsContact O-N 3.14Å; Q233-H237 PolarHBondContact O-CD2 3.24Å; Q233-H237 VanDerWaalsContact O-CD2 3.31Å; Q233-H237 PolarHBondContact O-N 3.25Å
234V98.4Very high90.5Very high0 Ų066.3 Ų66.30%036%0.358CS..Hα-helixtrans-58.4-45.5175.1170.70000110.6T129 V135 V194 L196 L229 T230 S231 K236 H237 Y238 I251 F253T129-V234 HydrophobicContact CG2-CG2 4.06Å; V135-V234 HydrophobicContact CG2-CG1 4.26Å; V194-V234 HydrophobicContact CG1-CG1 3.9Å; L196-V234 HydrophobicContact CD1-CG1 4.33Å; L196-V234 HydrophobicContact CD1-CG2 4.26Å; L196-V234 HydrophobicContact CD2-CB 4.32Å; L196-V234 HydrophobicContact CD2-CG1 4.16Å; L196-V234 HydrophobicContact CD2-CG2 4.07Å; L229-V234 HydrophobicContact CB-CG2 3.93Å; T230-V234 WeakPolarHBondContact O-CG2 3.33Å; T230-V234 PolarHBondContact O-N 3.03Å; S231-V234 PolarHBondContact O-N 3.1Å; V234-K236 VanDerWaalsContact C-N 3.31Å; V234-K236 PolarHBondContact O-N 3.36Å; V234-H237 PolarHBondContact O-N 3.29Å; V234-Y238 PolarHBondContact O-N 2.86Å; V234-I251 HydrophobicContact CG1-CD1 3.96Å; V234-F253 HydrophobicContact CB-CE1 3.95Å; V234-F253 HydrophobicContact CB-CZ 4.08Å; V234-F253 HydrophobicContact CG1-CE1 3.73Å; V234-F253 HydrophobicContact CG1-CZ 3.8Å
235R97.4Very high88.4Confident105 Ų10566.4 Ų66.440%0.39637%0.366SS..Hα-helixtrans-58.6-43.1175.2-175-175.5-63.4-79.15.3111.7S231 E232 Q233 Y238 L239 I251 F253S231-R235 WeakPolarHBondContact O-CB 3.48Å; S231-R235 PolarHBondContact O-N 2.96Å; E232-R235 PolarHBondContact O-N 2.75Å; Q233-R235 VanDerWaalsContact C-N 3.33Å; Q233-R235 PolarHBondContact O-N 3.3Å; R235-Y238 PolarHBondContact O-N 3.12Å; R235-L239 HydrophobicContact CG-CD1 3.93Å; R235-L239 HydrophobicContact CG-CG 4.41Å; R235-L239 WeakPolarHBondContact O-CB 3.31Å; R235-L239 VanDerWaalsContact O-CG 3.3Å; R235-L239 WeakPolarHBondContact O-CG 3.35Å; R235-L239 PolarHBondContact O-N 3.13Å; R235-I251 HydrophobicContact CG-CG2 4.16Å; R235-I251 PolarHBondContact NH1-O 3.37Å; R235-F253 HydrophobicContact CB-CE2 3.9Å; R235-F253 HydrophobicContact CB-CZ 3.98Å; R235-F253 HydrophobicContact CG-CE2 4.43Å; R235-F253 VanDerWaalsContact NH2-CD2 3.28Å
236K96.8Very high86.4Confident157 Ų15772.3 Ų72.368%0.68339%0.393SS*.Hα-helixtrans-62.3-43.4178-176.7-177.4177.1-177.20111.6E232 Q233 V234 S240E232-K236 PolarHBondContact O-N 3.06Å; Q233-K236 WeakPolarHBondContact O-CB 3.46Å; Q233-K236 PolarHBondContact O-N 2.87Å; Q233-K236 VanDerWaalsContact O-N 3.14Å; V234-K236 VanDerWaalsContact C-N 3.31Å; V234-K236 PolarHBondContact O-N 3.36Å; K236-S240 WeakPolarHBondContact O-CB 3.38Å; K236-S240 PolarHBondContact O-N 2.9Å; K236-S240 PolarHBondContact O-OG 3.32Å
237H96.1Very high85.4Confident56 Ų5673.8 Ų73.826%0.25940%0.4SS..Hα-helixtrans-59.7-52.7175.7-89.3-86.4000111.4N195 L196 Q233 V234 L239 S240 G241N195-H237 PolarHBondContact ND2-O 2.74Å; N195-H237 WeakPolarHBondContact O-CB 3.31Å; N195-H237 PolarHBondContact O-ND1 3.24Å; N195-H237 VanDerWaalsContact O-ND1 3.15Å; L196-H237 HydrophobicContact CD2-CB 3.69Å; Q233-H237 PolarHBondContact O-CD2 3.24Å; Q233-H237 VanDerWaalsContact O-CD2 3.31Å; Q233-H237 PolarHBondContact O-N 3.25Å; V234-H237 PolarHBondContact O-N 3.29Å; H237-L239 PolarHBondContact O-N 3.13Å; H237-S240 PolarHBondContact O-N 3.42Å; H237-S240 PolarHBondContact O-OG 2.87Å; H237-G241 PolarHBondContact O-N 3.4Å
238Y94.6Very high84.9Confident25 Ų2574 Ų7410%0.09840%0.402CS..Hα-helixtrans-52.8-51.7176.9176.4-96.7000112L137 V194 V234 R235 S240 G241 S248 G250 I251L137-Y238 HydrophobicContact CD2-CE2 4.14Å; V194-Y238 WeakPolarHBondContact O-CA 3.43Å; V194-Y238 PolarHBondContact O-N 2.95Å; V234-Y238 PolarHBondContact O-N 2.86Å; R235-Y238 PolarHBondContact O-N 3.12Å; Y238-S240 PolarHBondContact O-N 3.19Å; Y238-G241 PolarHBondContact O-N 2.59Å; Y238-S248 PolarHBondContact OH-O 2.97Å; Y238-S248 PolarHBondContact OH-OG 2.84Å; Y238-G250 PolarHBondContact OH-N 3.26Å; Y238-I251 HydrophobicContact CD1-CB 3.86Å; Y238-I251 HydrophobicContact CD1-CG2 3.55Å; Y238-I251 HydrophobicContact CD2-CB 4.4Å; Y238-I251 HydrophobicContact CD2-CD1 4.16Å; Y238-I251 HydrophobicContact CE1-CB 3.99Å; Y238-I251 HydrophobicContact CE1-CG2 3.98Å; Y238-I251 HydrophobicContact CG-CB 4.06Å; Y238-I251 HydrophobicContact CG-CD1 3.93Å; Y238-I251 HydrophobicContact CG-CG2 4.02Å
239L92.6Very high84.6Confident121 Ų12174.7 Ų74.763%0.63440%0.403SS*.Hα-helixtrans-66.7-23.7-178.8-67.1174.1000113.6R235 H237R235-L239 HydrophobicContact CG-CD1 3.93Å; R235-L239 HydrophobicContact CG-CG 4.41Å; R235-L239 WeakPolarHBondContact O-CB 3.31Å; R235-L239 VanDerWaalsContact O-CG 3.3Å; R235-L239 WeakPolarHBondContact O-CG 3.35Å; R235-L239 PolarHBondContact O-N 3.13Å; H237-L239 PolarHBondContact O-N 3.13Å
240S91.3Very high84.3Confident82 Ų8274.5 Ų74.557%0.57341%0.407SS*.Hα-helixtrans-82.3-13.3177.771.40000114.2N195 K236 H237 Y238 G242N195-S240 PolarHBondContact ND2-OG 3.38Å; K236-S240 WeakPolarHBondContact O-CB 3.38Å; K236-S240 PolarHBondContact O-N 2.9Å; K236-S240 PolarHBondContact O-OG 3.32Å; H237-S240 PolarHBondContact O-N 3.42Å; H237-S240 PolarHBondContact O-OG 2.87Å; Y238-S240 PolarHBondContact O-N 3.19Å; S240-G242 PolarHBondContact O-N 3.49Å
241G77.5Confident84.2Confident38 Ų3873 Ų7339%0.39240%0.397SS..THydrogen-bonded Turntrans-66.2-18.3177.400000113.6N195 H237 Y238N195-G241 VanDerWaalsContact ND2-CA 3.34Å; N195-G241 WeakPolarHBondContact ND2-CA 3.43Å; N195-G241 PolarHBondContact ND2-N 3.34Å; H237-G241 PolarHBondContact O-N 3.4Å; Y238-G241 PolarHBondContact O-N 2.59Å
242G63.8Low84.1Confident36 Ų3674.3 Ų74.337%0.37140%0.402SS..  trans82.9177.9177.300000114S240 E244S240-G242 PolarHBondContact O-N 3.49Å; G242-E244 PolarHBondContact O-N 2.98Å; G242-E244 VanDerWaalsContact O-N 3.16Å
243P54.3Low84.1Confident114 Ų11468.2 Ų68.274%0.7437%0.373SS*.THydrogen-bonded Turntrans-70-5.7-173.7-17.431.3000115.5A245 H246P243-A245 PolarHBondContact O-N 3.42Å; P243-H246 PolarHBondContact O-CE1 3.1Å; P243-H246 PolarHBondContact O-ND1 3.34Å
244E50Low84.1Confident153 Ų15365 Ų6572%0.71536%0.359SS*.THydrogen-bonded Turntrans-80-3.2-178.8-62.6-61.5152.700113.4G242 H246G242-E244 PolarHBondContact O-N 2.98Å; G242-E244 VanDerWaalsContact O-N 3.16Å; E244-H246 PolarHBondContact O-CD2 3.28Å; E244-H246 VanDerWaalsContact O-CD2 3.25Å; E244-H246 PolarHBondContact O-N 3.38Å; E244-H246 IonicContact OE2-CD2 3.51Å; E244-H246 IonicContact OE2-CE1 2.85Å; E244-H246 IonicContact OE2-NE2 2.84Å; E244-H246 PolarHBondContact OE2-NE2 3.32Å
245A55.8Low84.1Confident38 Ų3869 Ų6931%0.31438%0.378SS..  trans-79.865.8167.500000110.5P243 E247P243-A245 PolarHBondContact O-N 3.42Å; A245-E247 PolarHBondContact O-N 3.04Å
246H55.6Low84Confident125 Ų12565.3 Ų65.358%0.57937%0.367SS*.  trans-70.1-8.7-169.6-64.5-71.1000115.5P243 E244P243-H246 PolarHBondContact O-CE1 3.1Å; P243-H246 PolarHBondContact O-ND1 3.34Å; E244-H246 PolarHBondContact O-CD2 3.28Å; E244-H246 VanDerWaalsContact O-CD2 3.25Å; E244-H246 PolarHBondContact O-N 3.38Å; E244-H246 IonicContact OE2-CD2 3.51Å; E244-H246 IonicContact OE2-CE1 2.85Å; E244-H246 IonicContact OE2-NE2 2.84Å; E244-H246 PolarHBondContact OE2-NE2 3.32Å
247E78.6Confident83.8Confident86 Ų8664.7 Ų64.740%0.40237%0.366SS..SBendtrans-80-40.8-173.8-173.7154.3-168.100113.2R139 S140 A245R139-E247 IonicContact CZ-OE1 3.31Å; R139-E247 IonicContact NH1-OE1 3.6Å; R139-E247 PolarHBondContact NH1-OE1 3.45Å; R139-E247 VanDerWaalsContact NH1-OE1 3.08Å; R139-E247 IonicContact NH2-OE1 2.84Å; R139-E247 PolarHBondContact NH2-OE1 3.3Å; R139-E247 VanDerWaalsContact NH2-OE1 3.15Å; S140-E247 PolarHBondContact N-O 3.04Å; A245-E247 PolarHBondContact O-N 3.04Å
248S88.1Confident83.7Confident7 Ų766.3 Ų66.35%0.04938%0.377CS..EExtended strand (participates in β ladder)trans-115.1150.2175.455.50000112.7R138 E193 Y238R138-S248 CarbonylContact O-C 3.56Å; R138-S248 VanDerWaalsContact O-CA 3.28Å; R138-S248 WeakPolarHBondContact O-CA 3.44Å; R138-S248 WeakPolarHBondContact O-CB 3.43Å; E193-S248 WeakPolarHBondContact OE1-CB 3.49Å; E193-S248 PolarHBondContact OE1-OG 3.05Å; Y238-S248 PolarHBondContact OH-O 2.97Å; Y238-S248 PolarHBondContact OH-OG 2.84Å
249T91.1Very high83.7Confident93 Ų9365.1 Ų65.157%0.57137%0.372SS*.EExtended strand (participates in β ladder)trans-112.40.6-175.854.20000112.8R138R138-T249 WeakPolarHBondContact CG-OG1 3.26Å; R138-T249 PolarHBondContact O-N 3.14Å; R138-T249 PolarHBondContact O-OG1 3.41Å; R138-T249 VanDerWaalsContact O-OG1 3.13Å
250G92.9Very high83.7Confident20 Ų2064.4 Ų64.421%0.20636%0.361CS..EExtended strand (participates in β ladder)trans-177.8158.2177.800000112.8L137 R138 Y238L137-G250 CarbonylContact C-O 3.53Å; L137-G250 WeakPolarHBondContact CA-O 3.45Å; R138-G250 PolarHBondContact N-O 3.48Å; Y238-G250 PolarHBondContact OH-N 3.26Å
251I96.3Very high83.8Confident12 Ų1267.6 Ų67.66%0.06236%0.361CS..EExtended strand (participates in β ladder)trans-118.2132.3179.3-168.5166.9000110.5V135 F136 L137 V194 V234 R235 Y238 F253V135-I251 HydrophobicContact CG1-CD1 3.8Å; V135-I251 HydrophobicContact CG1-CG1 3.88Å; F136-I251 WeakPolarHBondContact O-CA 3.43Å; L137-I251 HydrophobicContact CD2-CB 4.18Å; L137-I251 HydrophobicContact CD2-CD1 4.29Å; L137-I251 HydrophobicContact CD2-CG1 3.94Å; V194-I251 HydrophobicContact CG1-CD1 3.88Å; V234-I251 HydrophobicContact CG1-CD1 3.96Å; R235-I251 HydrophobicContact CG-CG2 4.16Å; R235-I251 PolarHBondContact NH1-O 3.37Å; Y238-I251 HydrophobicContact CD1-CB 3.86Å; Y238-I251 HydrophobicContact CD1-CG2 3.55Å; Y238-I251 HydrophobicContact CD2-CB 4.4Å; Y238-I251 HydrophobicContact CD2-CD1 4.16Å; Y238-I251 HydrophobicContact CE1-CB 3.99Å; Y238-I251 HydrophobicContact CE1-CG2 3.98Å; Y238-I251 HydrophobicContact CG-CB 4.06Å; Y238-I251 HydrophobicContact CG-CD1 3.93Å; Y238-I251 HydrophobicContact CG-CG2 4.02Å; I251-F253 HydrophobicContact CD1-CE1 4.48Å; I251-F253 HydrophobicContact CD1-CE2 4.23Å; I251-F253 HydrophobicContact CD1-CZ 3.74Å; I251-F253 HydrophobicContact CG1-CE2 3.88Å; I251-F253 HydrophobicContact CG1-CZ 3.85Å; I251-F253 HydrophobicContact CG2-CE2 4.04Å
252I98.1Very high84.7Confident49 Ų4966 Ų6625%0.25134%0.343SS..EExtended strand (participates in β ladder)trans-122.5144.5-174.7-58.7163.5000108.2F136 V150 V254 M267F136-I252 HydrophobicContact CB-CB 4.02Å; F136-I252 HydrophobicContact CB-CG2 4.49Å; F136-I252 PolarHBondContact N-O 3.35Å; F136-I252 PolarHBondContact O-N 3.12Å; V150-I252 HydrophobicContact CG1-CD1 4.46Å; V150-I252 HydrophobicContact CG2-CD1 4.18Å; I252-V254 HydrophobicContact CG2-CG2 4.35Å; I252-M267 HydrophobicContact CG2-CE 4.04Å
253F98.6Very high86.1Confident28 Ų2869.5 Ų69.512%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-127.3132.6177.8-59.6-95.3000108.8T129 F133 L134 V135 S231 V234 R235 I251T129-F253 HydrophobicContact CG2-CD1 4.32Å; T129-F253 HydrophobicContact CG2-CE1 4.24Å; F133-F253 HydrophobicContact CB-CB 4.09Å; F133-F253 HydrophobicContact CB-CD1 4.33Å; F133-F253 HydrophobicContact CD1-CB 3.72Å; F133-F253 HydrophobicContact CG-CB 4.17Å; L134-F253 WeakPolarHBondContact O-CA 3.28Å; V135-F253 HydrophobicContact CG1-CE1 4.49Å; V135-F253 HydrophobicContact CG2-CD1 4.09Å; V135-F253 HydrophobicContact CG2-CE1 3.85Å; S231-F253 VanDerWaalsContact O-CZ 3.26Å; S231-F253 WeakPolarHBondContact O-CZ 3.5Å; V234-F253 HydrophobicContact CB-CE1 3.95Å; V234-F253 HydrophobicContact CB-CZ 4.08Å; V234-F253 HydrophobicContact CG1-CE1 3.73Å; V234-F253 HydrophobicContact CG1-CZ 3.8Å; R235-F253 HydrophobicContact CB-CE2 3.9Å; R235-F253 HydrophobicContact CB-CZ 3.98Å; R235-F253 HydrophobicContact CG-CE2 4.43Å; R235-F253 VanDerWaalsContact NH2-CD2 3.28Å; I251-F253 HydrophobicContact CD1-CE1 4.48Å; I251-F253 HydrophobicContact CD1-CE2 4.23Å; I251-F253 HydrophobicContact CD1-CZ 3.74Å; I251-F253 HydrophobicContact CG1-CE2 3.88Å; I251-F253 HydrophobicContact CG1-CZ 3.85Å; I251-F253 HydrophobicContact CG2-CE2 4.04Å
254V98.4Very high88Confident21 Ų2169.8 Ų69.813%0.12734%0.341CS..EExtended strand (participates in β ladder)trans-127.3126.9175.6-174.30000108.7F133 L134 F136 I252 T256 N258 V259 L262 M267F133-V254 CarbonylContact C-O 3.59Å; F133-V254 WeakPolarHBondContact CA-O 3.36Å; L134-V254 PolarHBondContact N-O 3.49Å; L134-V254 PolarHBondContact O-N 2.73Å; F136-V254 HydrophobicContact CD2-CB 4.4Å; F136-V254 HydrophobicContact CD2-CG2 3.91Å; F136-V254 HydrophobicContact CE2-CB 3.85Å; F136-V254 HydrophobicContact CE2-CG2 3.69Å; I252-V254 HydrophobicContact CG2-CG2 4.35Å; V254-T256 PolarHBondContact O-N 3.2Å; V254-N258 HydrophobicContact CG1-CB 3.95Å; V254-V259 HydrophobicContact CB-CG2 4.1Å; V254-V259 HydrophobicContact CG1-CG2 3.9Å; V254-L262 HydrophobicContact CG1-CD1 4.34Å; V254-M267 HydrophobicContact CG2-CE 4.05Å; V254-M267 HydrophobicContact CG2-SD 3.89Å
255E97.8Very high90.3Very high83 Ų8365.5 Ų65.539%0.38833%0.325SS..EExtended strand (participates in β ladder)trans-54.7135.8176.3-64.5175.3163.900110.1F133 Q257 N258 V259F133-E255 HydrophobicContact CD1-CB 4.43Å; F133-E255 HydrophobicContact CD1-CG 3.85Å; F133-E255 VanDerWaalsContact CD1-N 3.34Å; F133-E255 HydrophobicContact CE1-CB 4.26Å; F133-E255 HydrophobicContact CE1-CG 3.24Å; F133-E255 HydrophobicContact CE2-CG 4.15Å; F133-E255 HydrophobicContact CZ-CG 3.4Å; E255-Q257 PolarHBondContact O-N 3.47Å; E255-Q257 VanDerWaalsContact O-N 3.07Å; E255-N258 WeakPolarHBondContact O-CA 3.26Å; E255-N258 PolarHBondContact O-N 3.03Å; E255-N258 PolarHBondContact OE2-ND2 3.22Å; E255-V259 WeakPolarHBondContact O-CG2 3.41Å; E255-V259 PolarHBondContact O-N 3.5Å
256T94.9Very high92.2Very high27 Ų2771.9 Ų71.917%0.16635%0.349CS..Hα-helixtrans-56-28.8179.953.50000112.9D132 L134 V254 V259 Y282D132-T256 VanDerWaalsContact O-CG2 3.28Å; D132-T256 WeakPolarHBondContact O-CG2 3.48Å; D132-T256 PolarHBondContact O-N 3.46Å; D132-T256 PolarHBondContact O-OG1 3Å; D132-T256 VanDerWaalsContact O-OG1 3.13Å; L134-T256 HydrophobicContact CD2-CG2 4.22Å; L134-T256 HydrophobicContact CG-CG2 4.19Å; V254-T256 PolarHBondContact O-N 3.2Å; T256-V259 PolarHBondContact O-N 2.96Å; T256-Y282 VanDerWaalsContact CG2-OH 3.25Å; T256-Y282 WeakPolarHBondContact CG2-OH 3.32Å
257Q92.1Very high94.2Very high144 Ų14467.6 Ų67.667%0.67333%0.329SS*.Hα-helixtrans-63.3-42.4172.7-62.4-173.65.700112.2E255 R260E255-Q257 PolarHBondContact O-N 3.47Å; E255-Q257 VanDerWaalsContact O-N 3.07Å; Q257-R260 WeakPolarHBondContact O-CB 3.49Å
258N94.9Very high95.1Very high90 Ų9064.8 Ų64.848%0.48132%0.315SS..Hα-helixtrans-76.9-28179.8-63.9-35.4000112.1V254 E255 R260 R261 L262V254-N258 HydrophobicContact CG1-CB 3.95Å; E255-N258 WeakPolarHBondContact O-CA 3.26Å; E255-N258 PolarHBondContact O-N 3.03Å; E255-N258 PolarHBondContact OE2-ND2 3.22Å; N258-R260 PolarHBondContact O-N 3.39Å; N258-R260 VanDerWaalsContact O-N 3.15Å; N258-R261 PolarHBondContact O-N 3.03Å; N258-L262 PolarHBondContact O-N 3.31Å
259V95.5Very high95.5Very high0 Ų068.4 Ų68.40%035%0.345CS..Hα-helixtrans-56.8-29.4174.7173.60000112.3L134 V254 E255 T256 R261 L262 I279 Y282 N283L134-V259 HydrophobicContact CB-CG2 4.24Å; L134-V259 HydrophobicContact CD1-CB 4.41Å; L134-V259 HydrophobicContact CD1-CG1 3.84Å; L134-V259 HydrophobicContact CD1-CG2 3.9Å; L134-V259 HydrophobicContact CG-CG2 4.07Å; V254-V259 HydrophobicContact CB-CG2 4.1Å; V254-V259 HydrophobicContact CG1-CG2 3.9Å; E255-V259 WeakPolarHBondContact O-CG2 3.41Å; E255-V259 PolarHBondContact O-N 3.5Å; T256-V259 PolarHBondContact O-N 2.96Å; V259-R261 PolarHBondContact O-N 3.37Å; V259-L262 WeakPolarHBondContact O-CB 3.45Å; V259-L262 PolarHBondContact O-N 2.95Å; V259-I279 HydrophobicContact CG1-CD1 4.33Å; V259-I279 HydrophobicContact CG1-CG2 3.74Å; V259-Y282 HydrophobicContact CG1-CD1 3.91Å; V259-Y282 HydrophobicContact CG1-CE1 4.11Å; V259-N283 PolarHBondContact O-ND2 2.96Å
260R91.8Very high95.8Very high106 Ų10668 Ų6840%0.434%0.337SS..THydrogen-bonded Turntrans-57.7-33.2176.7-66.6-177.7175.91741.1113.1Q257 N258Q257-R260 WeakPolarHBondContact O-CB 3.49Å; N258-R260 PolarHBondContact O-N 3.39Å; N258-R260 VanDerWaalsContact O-N 3.15Å
261R93.7Very high96Very high150 Ų15067.1 Ų67.157%0.56633%0.328SS*.THydrogen-bonded Turntrans-110.716-178.6-62.7-175.468.7-177.90.8112.5N258 V259 Q263 E264N258-R261 PolarHBondContact O-N 3.03Å; V259-R261 PolarHBondContact O-N 3.37Å; R261-Q263 PolarHBondContact O-N 3.1Å; R261-Q263 VanDerWaalsContact O-N 3.11Å; R261-E264 IonicContact CZ-OE2 3.48Å; R261-E264 IonicContact NE-OE1 2.77Å; R261-E264 IonicContact NE-OE2 3.61Å; R261-E264 PolarHBondContact NE-OE2 3.34Å; R261-E264 IonicContact NH2-OE2 2.74Å; R261-E264 PolarHBondContact NH2-OE2 2.88Å; R261-E264 WeakPolarHBondContact O-CB 3.47Å; R261-E264 PolarHBondContact O-N 3.26Å
262L95.3Very high96Very high5 Ų566.6 Ų66.63%0.02633%0.325CS..G310 helixtrans-57.2-33.9-175.4-160.865.9000112.4F136 V254 N258 V259 E264 T265 M267 W268 L271 I279F136-L262 HydrophobicContact CE1-CD2 4.2Å; F136-L262 HydrophobicContact CZ-CD2 3.85Å; V254-L262 HydrophobicContact CG1-CD1 4.34Å; N258-L262 PolarHBondContact O-N 3.31Å; V259-L262 WeakPolarHBondContact O-CB 3.45Å; V259-L262 PolarHBondContact O-N 2.95Å; L262-E264 PolarHBondContact O-N 3.38Å; L262-T265 PolarHBondContact O-N 3.11Å; L262-T265 PolarHBondContact O-OG1 3.05Å; L262-M267 HydrophobicContact CD1-CB 4.38Å; L262-M267 HydrophobicContact CD1-CG 4.47Å; L262-M267 HydrophobicContact CD1-SD 3.94Å; L262-W268 HydrophobicContact CG-CE3 4.49Å; L262-W268 WeakPolarHBondContact O-CB 3.25Å; L262-L271 HydrophobicContact CD2-CD1 3.81Å; L262-L271 HydrophobicContact CG-CD1 4.5Å; L262-I279 HydrophobicContact CD2-CG1 4.25Å; L262-I279 HydrophobicContact CD2-CG2 4.03Å
263Q94.4Very high96Very high108 Ų10864.7 Ų64.751%0.50532%0.316SS..G310 helixtrans-60.5-21.3176.3-66.9-174.1800114.5R261 W268R261-Q263 PolarHBondContact O-N 3.1Å; R261-Q263 VanDerWaalsContact O-N 3.11Å; Q263-W268 HydrophobicContact CB-CD2 4.14Å; Q263-W268 HydrophobicContact CB-CE3 4.27Å; Q263-W268 HydrophobicContact CB-CG 4.49Å; Q263-W268 HydrophobicContact CG-CD2 3.77Å; Q263-W268 HydrophobicContact CG-CE3 3.64Å; Q263-W268 HydrophobicContact CG-CH2 3.7Å; Q263-W268 HydrophobicContact CG-CZ2 3.79Å; Q263-W268 HydrophobicContact CG-CZ3 3.62Å
264E94.9Very high95.8Very high121 Ų12164.2 Ų64.257%0.56532%0.316SS*.G310 helixtrans-94.3-3-179.4-57.8168-148.100111.9R261 L262R261-E264 IonicContact CZ-OE2 3.48Å; R261-E264 IonicContact NE-OE1 2.77Å; R261-E264 IonicContact NE-OE2 3.61Å; R261-E264 PolarHBondContact NE-OE2 3.34Å; R261-E264 IonicContact NH2-OE2 2.74Å; R261-E264 PolarHBondContact NH2-OE2 2.88Å; R261-E264 WeakPolarHBondContact O-CB 3.47Å; R261-E264 PolarHBondContact O-N 3.26Å; L262-E264 PolarHBondContact O-N 3.38Å
265T96.6Very high95.8Very high62 Ų6263.2 Ų63.238%0.3831%0.31SS..SBendtrans-99.8160.2-177.673.70000111.8L262 M267 W268L262-T265 PolarHBondContact O-N 3.11Å; L262-T265 PolarHBondContact O-OG1 3.05Å; T265-M267 PolarHBondContact O-N 2.89Å; T265-M267 PolarHBondContact OG1-N 3.35Å; T265-W268 WeakPolarHBondContact O-CB 3.39Å; T265-W268 PolarHBondContact O-N 3.33Å; T265-W268 VanDerWaalsContact O-N 3.12Å
266E95.9Very high95.9Very high173 Ų17359.8 Ų59.881%0.80829%0.294SS*.THydrogen-bonded Turntrans-60.2-29.3174.7-63.1-177164.100112.5W268 A269E266-W268 PolarHBondContact O-N 2.96Å; E266-W268 VanDerWaalsContact O-N 3.14Å; E266-A269 PolarHBondContact O-N 3.35Å; E266-A269 VanDerWaalsContact O-N 3.14Å
267M97.1Very high96Very high34 Ų3458.5 Ų58.517%0.16729%0.286CS..Hα-helixtrans-59.7-26.1177.3-172175.2177.400112.5F136 V150 I252 V254 L262 T265 A269 E270 L271F136-M267 HydrophobicContact CB-CE 4.18Å; F136-M267 HydrophobicContact CD1-CE 3.94Å; F136-M267 HydrophobicContact CD2-CE 4.05Å; F136-M267 HydrophobicContact CE1-CE 4.28Å; F136-M267 HydrophobicContact CE2-CE 4.4Å; F136-M267 HydrophobicContact CG-CE 3.81Å; F136-M267 HydrophobicContact CZ-CE 4.49Å; V150-M267 HydrophobicContact CG1-CE 3.76Å; I252-M267 HydrophobicContact CG2-CE 4.04Å; V254-M267 HydrophobicContact CG2-CE 4.05Å; V254-M267 HydrophobicContact CG2-SD 3.89Å; L262-M267 HydrophobicContact CD1-CB 4.38Å; L262-M267 HydrophobicContact CD1-CG 4.47Å; L262-M267 HydrophobicContact CD1-SD 3.94Å; T265-M267 PolarHBondContact O-N 2.89Å; T265-M267 PolarHBondContact OG1-N 3.35Å; M267-A269 VanDerWaalsContact C-N 3.29Å; M267-A269 PolarHBondContact O-N 2.84Å; M267-E270 PolarHBondContact O-N 3.41Å; M267-L271 PolarHBondContact O-N 3.41Å
268W97.9Very high96.3Very high27 Ų2751.6 Ų51.610%0.10225%0.254CS..Hα-helixtrans-62.1-36.5177.8-168.9-102.2000113.1D2 L262 Q263 T265 E266 E270 L271 K276 I279 I280D2-W268 HydrophobicContact CB-CZ2 4.49Å; D2-W268 PolarHBondContact OD2-NE1 3.03Å; L262-W268 HydrophobicContact CG-CE3 4.49Å; L262-W268 WeakPolarHBondContact O-CB 3.25Å; Q263-W268 HydrophobicContact CB-CD2 4.14Å; Q263-W268 HydrophobicContact CB-CE3 4.27Å; Q263-W268 HydrophobicContact CB-CG 4.49Å; Q263-W268 HydrophobicContact CG-CD2 3.77Å; Q263-W268 HydrophobicContact CG-CE3 3.64Å; Q263-W268 HydrophobicContact CG-CH2 3.7Å; Q263-W268 HydrophobicContact CG-CZ2 3.79Å; Q263-W268 HydrophobicContact CG-CZ3 3.62Å; T265-W268 WeakPolarHBondContact O-CB 3.39Å; T265-W268 PolarHBondContact O-N 3.33Å; T265-W268 VanDerWaalsContact O-N 3.12Å; E266-W268 PolarHBondContact O-N 2.96Å; E266-W268 VanDerWaalsContact O-N 3.14Å; W268-E270 PolarHBondContact O-N 3.48Å; W268-L271 HydrophobicContact CD2-CD1 4.49Å; W268-L271 HydrophobicContact CE3-CD1 3.68Å; W268-L271 HydrophobicContact CZ3-CD1 3.91Å; W268-L271 PolarHBondContact O-N 3.19Å; W268-K276 HydrophobicContact CD2-CG 4.35Å; W268-K276 HydrophobicContact CE3-CG 4.47Å; W268-K276 HydrophobicContact CH2-CB 3.58Å; W268-K276 HydrophobicContact CH2-CD 4.43Å; W268-K276 HydrophobicContact CH2-CG 3.71Å; W268-K276 HydrophobicContact CZ2-CB 3.71Å; W268-K276 HydrophobicContact CZ2-CD 3.79Å; W268-K276 HydrophobicContact CZ2-CG 3.58Å; W268-K276 HydrophobicContact CZ3-CB 4.34Å; W268-K276 HydrophobicContact CZ3-CG 4.17Å; W268-K276 WeakPolarHBondContact O-CE 3.44Å; W268-I279 HydrophobicContact CZ3-CB 4.43Å; W268-I279 HydrophobicContact CZ3-CG2 4.31Å; W268-I280 HydrophobicContact CH2-CD1 3.99Å; W268-I280 HydrophobicContact CH2-CG1 3.9Å; W268-I280 HydrophobicContact CZ2-CD1 4.17Å; W268-I280 HydrophobicContact CZ2-CG1 4.49Å
269A96.3Very high96.5Very high83 Ų8347.4 Ų47.469%0.68623%0.231SC*.Hα-helixtrans-71-19.4177.200000112.4E266 M267E266-A269 PolarHBondContact O-N 3.35Å; E266-A269 VanDerWaalsContact O-N 3.14Å; M267-A269 VanDerWaalsContact C-N 3.29Å; M267-A269 PolarHBondContact O-N 2.84Å
270E97.3Very high96.6Very high84 Ų8448.3 Ų48.339%0.39324%0.236SC..Hα-helixtrans-93.4-12.3178.7-59.7-169.8-159.800113.5R138 L149 V150 M267 W268R138-E270 IonicContact CZ-OE2 3.3Å; R138-E270 IonicContact NH1-OE2 2.67Å; R138-E270 PolarHBondContact NH1-OE2 3.01Å; R138-E270 IonicContact NH2-OE2 3.16Å; R138-E270 PolarHBondContact NH2-OE2 3.18Å; L149-E270 CarbonylContact C-O 3.5Å; L149-E270 WeakPolarHBondContact CA-O 3.36Å; L149-E270 WeakPolarHBondContact CB-O 3.21Å; V150-E270 HydrophobicContact CG2-CB 4.11Å; V150-E270 PolarHBondContact N-O 3.25Å; M267-E270 PolarHBondContact O-N 3.41Å; W268-E270 PolarHBondContact O-N 3.48Å
271L97.8Very high96.9Very high2 Ų243.3 Ų43.31%0.0122%0.217CC..BIsolated β-bridgetrans-74.1137.1178-76.5168.2000111.6F136 V150 L262 M267 W268 A275 K276F136-L271 HydrophobicContact CD1-CD2 3.92Å; F136-L271 HydrophobicContact CE1-CD2 3.92Å; V150-L271 HydrophobicContact CB-CD2 3.75Å; V150-L271 HydrophobicContact CB-CG 4.41Å; V150-L271 HydrophobicContact CG1-CD2 3.56Å; V150-L271 WeakPolarHBondContact O-CA 3.46Å; L262-L271 HydrophobicContact CD2-CD1 3.81Å; L262-L271 HydrophobicContact CG-CD1 4.5Å; M267-L271 PolarHBondContact O-N 3.41Å; W268-L271 HydrophobicContact CD2-CD1 4.49Å; W268-L271 HydrophobicContact CE3-CD1 3.68Å; W268-L271 HydrophobicContact CZ3-CD1 3.91Å; W268-L271 PolarHBondContact O-N 3.19Å; L271-A275 HydrophobicContact CD2-CB 3.82Å; L271-K276 HydrophobicContact CB-CG 3.67Å; L271-K276 HydrophobicContact CD1-CG 4.39Å; L271-K276 WeakPolarHBondContact O-CE 3.39Å
272C96.9Very high97.1Very high1 Ų137.2 Ų37.21%0.00719%0.194CC..  trans-68.6157.116879.30000110.6A146 L149 V150 D151 S274 A275 K276A146-C272 HydrophobicContact CB-CB 3.85Å; L149-C272 HydrophobicContact CB-CB 4.14Å; L149-C272 HydrophobicContact CD1-CB 4.06Å; V150-C272 PolarHBondContact O-N 3.04Å; D151-C272 PolarHBondContact OD1-SG 2.86Å; D151-C272 PolarHBondContact OD2-SG 2.9Å; C272-S274 VanDerWaalsContact C-N 3.35Å; C272-S274 PolarHBondContact O-N 3.37Å; C272-S274 PolarHBondContact SG-OG 3.46Å; C272-A275 PolarHBondContact O-N 3.01Å; C272-A275 PolarHBondContact SG-N 3.46Å; C272-K276 WeakPolarHBondContact O-CG 3.2Å; C272-K276 PolarHBondContact O-N 3.09Å
273P97.4Very high97.2Very high10 Ų1038.2 Ų38.27%0.06520%0.2CC..Hα-helixtrans-59.5-36.4-175.9-28.837.2000115.1E4 V5 N212 T214 K276 G277E4-P273 HydrophobicContact CB-CB 4.45Å; E4-P273 HydrophobicContact CB-CG 4.24Å; V5-P273 HydrophobicContact CG2-CB 3.8Å; V5-P273 WeakPolarHBondContact CG2-O 3.47Å; N212-P273 HydrophobicContact CB-CB 4.02Å; N212-P273 VanDerWaalsContact CG-CB 3.48Å; N212-P273 WeakPolarHBondContact OD1-CB 3.49Å; N212-P273 WeakPolarHBondContact OD1-CG 3.38Å; T214-P273 HydrophobicContact CG2-CG 4.14Å; P273-K276 PolarHBondContact O-N 3.38Å; P273-G277 PolarHBondContact O-N 2.9Å
274S95.9Very high97.3Very high18 Ų1839.3 Ų39.313%0.12620%0.199CC..Hα-helixtrans-63.8-47.1175.736.80000111.6C272 K276 G277 A278C272-S274 VanDerWaalsContact C-N 3.35Å; C272-S274 PolarHBondContact O-N 3.37Å; C272-S274 PolarHBondContact SG-OG 3.46Å; S274-K276 VanDerWaalsContact C-N 3.34Å; S274-K276 PolarHBondContact O-N 3.23Å; S274-G277 WeakPolarHBondContact O-CA 3.43Å; S274-G277 PolarHBondContact O-N 3.05Å; S274-A278 PolarHBondContact O-N 2.9Å
275A98.1Very high97.3Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-61.9-39.7176.700000112.7V152 L271 C272 G277 A278 I279V152-A275 HydrophobicContact CG1-CB 4.08Å; V152-A275 HydrophobicContact CG2-CB 4.27Å; L271-A275 HydrophobicContact CD2-CB 3.82Å; C272-A275 PolarHBondContact O-N 3.01Å; C272-A275 PolarHBondContact SG-N 3.46Å; A275-G277 VanDerWaalsContact C-N 3.28Å; A275-G277 PolarHBondContact O-N 3.36Å; A275-A278 PolarHBondContact O-N 3.39Å; A275-I279 WeakPolarHBondContact O-CG1 3.46Å; A275-I279 PolarHBondContact O-N 3.47Å
276K98.5Very high97Very high10 Ų1034.5 Ų34.54%0.04317%0.174CC..Hα-helixtrans-56-44.1170.3-71.4179-179.91790111.2D2 E4 V5 W268 L271 C272 P273 S274 I279 I280D2-K276 IonicContact OD1-NZ 3.21Å; D2-K276 WeakPolarHBondContact OD2-CD 3.24Å; D2-K276 WeakPolarHBondContact OD2-CE 3.47Å; D2-K276 IonicContact OD2-NZ 3.73Å; D2-K276 PolarHBondContact OD2-NZ 3.12Å; E4-K276 IonicContact OE2-NZ 2.82Å; E4-K276 PolarHBondContact OE2-NZ 3.46Å; V5-K276 HydrophobicContact CG2-CB 3.85Å; V5-K276 HydrophobicContact CG2-CD 4.22Å; W268-K276 HydrophobicContact CD2-CG 4.35Å; W268-K276 HydrophobicContact CE3-CG 4.47Å; W268-K276 HydrophobicContact CH2-CB 3.58Å; W268-K276 HydrophobicContact CH2-CD 4.43Å; W268-K276 HydrophobicContact CH2-CG 3.71Å; W268-K276 HydrophobicContact CZ2-CB 3.71Å; W268-K276 HydrophobicContact CZ2-CD 3.79Å; W268-K276 HydrophobicContact CZ2-CG 3.58Å; W268-K276 HydrophobicContact CZ3-CB 4.34Å; W268-K276 HydrophobicContact CZ3-CG 4.17Å; W268-K276 WeakPolarHBondContact O-CE 3.44Å; L271-K276 HydrophobicContact CB-CG 3.67Å; L271-K276 HydrophobicContact CD1-CG 4.39Å; L271-K276 WeakPolarHBondContact O-CE 3.39Å; C272-K276 WeakPolarHBondContact O-CG 3.2Å; C272-K276 PolarHBondContact O-N 3.09Å; P273-K276 PolarHBondContact O-N 3.38Å; S274-K276 VanDerWaalsContact C-N 3.34Å; S274-K276 PolarHBondContact O-N 3.23Å; K276-I279 PolarHBondContact O-N 3.37Å; K276-I280 WeakPolarHBondContact O-CB 3.25Å; K276-I280 WeakPolarHBondContact O-CD1 3.44Å; K276-I280 WeakPolarHBondContact O-CG1 3.4Å; K276-I280 PolarHBondContact O-N 3.07Å
277G98.3Very high96Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-57.4-48.8174.400000113.2P273 S274 A275 I279 I280 L281P273-G277 PolarHBondContact O-N 2.9Å; S274-G277 WeakPolarHBondContact O-CA 3.43Å; S274-G277 PolarHBondContact O-N 3.05Å; A275-G277 VanDerWaalsContact C-N 3.28Å; A275-G277 PolarHBondContact O-N 3.36Å; G277-I279 PolarHBondContact O-N 3.2Å; G277-I280 PolarHBondContact O-N 3.41Å; G277-L281 WeakPolarHBondContact O-CB 3.19Å; G277-L281 WeakPolarHBondContact O-CG 3.44Å; G277-L281 PolarHBondContact O-N 3.48Å
278A98.5Very high94.9Very high0 Ų028.6 Ų28.60%016%0.157CC..Hα-helixtrans-57.8-47.2176.900000112.1V152 E222 S274 A275 L281 Y282V152-A278 HydrophobicContact CG1-CB 4.45Å; V152-A278 HydrophobicContact CG2-CB 4.03Å; E222-A278 HydrophobicContact CB-CB 4.35Å; E222-A278 HydrophobicContact CG-CB 4.24Å; E222-A278 WeakPolarHBondContact OE2-CB 3.31Å; S274-A278 PolarHBondContact O-N 2.9Å; A275-A278 PolarHBondContact O-N 3.39Å; A278-L281 PolarHBondContact O-N 3.48Å; A278-Y282 WeakPolarHBondContact O-CB 3.45Å; A278-Y282 PolarHBondContact O-N 2.82Å
279I98.3Very high93.2Very high1 Ų129.3 Ų29.31%0.00517%0.165CC..Hα-helixtrans-68.7-39-179.5-61.6-52000112.4L134 F136 V259 L262 W268 A275 K276 G277 L281 Y282 N283L134-I279 HydrophobicContact CD1-CD1 3.75Å; F136-I279 HydrophobicContact CE1-CD1 3.69Å; F136-I279 HydrophobicContact CE1-CG1 3.83Å; F136-I279 HydrophobicContact CZ-CD1 3.52Å; F136-I279 HydrophobicContact CZ-CG1 4.01Å; V259-I279 HydrophobicContact CG1-CD1 4.33Å; V259-I279 HydrophobicContact CG1-CG2 3.74Å; L262-I279 HydrophobicContact CD2-CG1 4.25Å; L262-I279 HydrophobicContact CD2-CG2 4.03Å; W268-I279 HydrophobicContact CZ3-CB 4.43Å; W268-I279 HydrophobicContact CZ3-CG2 4.31Å; A275-I279 WeakPolarHBondContact O-CG1 3.46Å; A275-I279 PolarHBondContact O-N 3.47Å; K276-I279 PolarHBondContact O-N 3.37Å; G277-I279 PolarHBondContact O-N 3.2Å; I279-L281 VanDerWaalsContact C-N 3.33Å; I279-L281 PolarHBondContact O-N 2.88Å; I279-Y282 PolarHBondContact O-N 2.98Å; I279-N283 PolarHBondContact O-N 3.24Å
280I97.9Very high91.3Very high20 Ų2032.7 Ų32.710%0.10318%0.178CC..Hα-helixtrans-59.7-47.3174.1-71.4160.9000110.2V5 L7 W268 K276 G277 N283 R284V5-I280 HydrophobicContact CG1-CD1 4.39Å; L7-I280 HydrophobicContact CD1-CG2 3.72Å; L7-I280 HydrophobicContact CD2-CG2 4.02Å; L7-I280 HydrophobicContact CG-CG2 4.24Å; W268-I280 HydrophobicContact CH2-CD1 3.99Å; W268-I280 HydrophobicContact CH2-CG1 3.9Å; W268-I280 HydrophobicContact CZ2-CD1 4.17Å; W268-I280 HydrophobicContact CZ2-CG1 4.49Å; K276-I280 WeakPolarHBondContact O-CB 3.25Å; K276-I280 WeakPolarHBondContact O-CD1 3.44Å; K276-I280 WeakPolarHBondContact O-CG1 3.4Å; K276-I280 PolarHBondContact O-N 3.07Å; G277-I280 PolarHBondContact O-N 3.41Å; I280-N283 PolarHBondContact O-N 3.44Å; I280-R284 WeakPolarHBondContact O-CG 3.46Å; I280-R284 PolarHBondContact O-N 2.92Å; I280-R284 VanDerWaalsContact O-N 3.14Å
281L98.3Very high89Confident0 Ų030.6 Ų30.60%018%0.178CC..Hα-helixtrans-67.2-41.2179.8-75.7168.1000111.6L7 Q10 L207 A210 E222 G277 A278 I279 N283 R284 V285L7-L281 HydrophobicContact CD1-CD2 4.26Å; L7-L281 HydrophobicContact CD2-CD1 4.38Å; L7-L281 HydrophobicContact CD2-CD2 4.23Å; L7-L281 HydrophobicContact CD2-CG 4Å; Q10-L281 HydrophobicContact CB-CD2 4.31Å; Q10-L281 HydrophobicContact CG-CD2 4.34Å; L207-L281 HydrophobicContact CB-CB 3.98Å; L207-L281 HydrophobicContact CD1-CB 4.46Å; A210-L281 HydrophobicContact CB-CD1 4.48Å; E222-L281 HydrophobicContact CB-CD1 3.74Å; E222-L281 HydrophobicContact CG-CD1 3.72Å; G277-L281 WeakPolarHBondContact O-CB 3.19Å; G277-L281 WeakPolarHBondContact O-CG 3.44Å; G277-L281 PolarHBondContact O-N 3.48Å; A278-L281 PolarHBondContact O-N 3.48Å; I279-L281 VanDerWaalsContact C-N 3.33Å; I279-L281 PolarHBondContact O-N 2.88Å; L281-N283 PolarHBondContact O-N 3.12Å; L281-R284 PolarHBondContact O-N 3.05Å; L281-V285 VanDerWaalsContact O-CB 3.24Å; L281-V285 WeakPolarHBondContact O-CB 3.41Å; L281-V285 VanDerWaalsContact O-CG2 3.3Å; L281-V285 WeakPolarHBondContact O-CG2 3.16Å; L281-V285 PolarHBondContact O-N 3.46Å
282Y98.3Very high86.6Confident23 Ų2335.1 Ų35.19%0.0922%0.216CC..Hα-helixtrans-55.2-51.9173.5175.6-95.7000111.7A126 L134 Y224 T256 V259 A278 I279 R284 V285 Q286 G287A126-Y282 HydrophobicContact CB-CD2 3.8Å; A126-Y282 HydrophobicContact CB-CG 4.17Å; L134-Y282 HydrophobicContact CD1-CD1 3.85Å; L134-Y282 HydrophobicContact CD1-CD2 4.33Å; L134-Y282 HydrophobicContact CD1-CE1 3.9Å; L134-Y282 HydrophobicContact CD1-CE2 4.38Å; L134-Y282 HydrophobicContact CD1-CG 4.07Å; L134-Y282 HydrophobicContact CD2-CE2 4.06Å; L134-Y282 HydrophobicContact CG-CE1 4.5Å; Y224-Y282 HydrophobicContact CD2-CD2 4.22Å; Y224-Y282 HydrophobicContact CD2-CE2 4.03Å; Y224-Y282 HydrophobicContact CE2-CE2 4.12Å; T256-Y282 VanDerWaalsContact CG2-OH 3.25Å; T256-Y282 WeakPolarHBondContact CG2-OH 3.32Å; V259-Y282 HydrophobicContact CG1-CD1 3.91Å; V259-Y282 HydrophobicContact CG1-CE1 4.11Å; A278-Y282 WeakPolarHBondContact O-CB 3.45Å; A278-Y282 PolarHBondContact O-N 2.82Å; I279-Y282 PolarHBondContact O-N 2.98Å; Y282-R284 VanDerWaalsContact C-N 3.3Å; Y282-R284 PolarHBondContact O-N 3.35Å; Y282-V285 PolarHBondContact O-N 3.45Å; Y282-Q286 HydrophobicContact CD2-CB 3.91Å; Y282-Q286 HydrophobicContact CD2-CG 4.3Å; Y282-Q286 HydrophobicContact CE2-CB 3.85Å; Y282-Q286 HydrophobicContact CE2-CG 4.4Å; Y282-Q286 WeakPolarHBondContact O-CA 3.36Å; Y282-Q286 WeakPolarHBondContact O-CB 3.38Å; Y282-Q286 PolarHBondContact O-N 3.06Å; Y282-G287 PolarHBondContact O-N 2.9Å
283N96.6Very high84.6Confident25 Ų2538.7 Ų38.713%0.13425%0.246CC..Hα-helixtrans-62-36.1-179.8-78.8-25.9000112.9V259 I279 I280 L281 G287 S288V259-N283 PolarHBondContact O-ND2 2.96Å; I279-N283 PolarHBondContact O-N 3.24Å; I280-N283 PolarHBondContact O-N 3.44Å; L281-N283 PolarHBondContact O-N 3.12Å; N283-G287 CarbonylContact O-C 3.56Å; N283-G287 WeakPolarHBondContact O-CA 3.5Å; N283-S288 PolarHBondContact O-N 3.08Å; N283-S288 PolarHBondContact O-OG 3.14Å
284R95.9Very high82.5Confident132 Ų13243.3 Ų43.350%0.49827%0.269SS..Hα-helixtrans-80.4-32-178.8-71.5-175.1178.3-164.90.8114.3L7 Q10 I280 L281 Y282L7-R284 VanDerWaalsContact CD1-NH1 3.31Å; Q10-R284 VanDerWaalsContact OE1-CD 3.26Å; I280-R284 WeakPolarHBondContact O-CG 3.46Å; I280-R284 PolarHBondContact O-N 2.92Å; I280-R284 VanDerWaalsContact O-N 3.14Å; L281-R284 PolarHBondContact O-N 3.05Å; Y282-R284 VanDerWaalsContact C-N 3.3Å; Y282-R284 PolarHBondContact O-N 3.35Å
285V95.1Very high80.7Confident17 Ų1744.5 Ų44.510%0.10328%0.284CS..Hα-helixtrans-104.3-40.2-169.5179.80000111.8Q10 G14 L207 L281 Y282Q10-V285 HydrophobicContact CG-CG2 3.65Å; G14-V285 WeakPolarHBondContact O-CG1 3.3Å; L207-V285 HydrophobicContact CB-CB 4.48Å; L207-V285 HydrophobicContact CD2-CB 4.04Å; L207-V285 HydrophobicContact CD2-CG1 3.71Å; L281-V285 VanDerWaalsContact O-CB 3.24Å; L281-V285 WeakPolarHBondContact O-CB 3.41Å; L281-V285 VanDerWaalsContact O-CG2 3.3Å; L281-V285 WeakPolarHBondContact O-CG2 3.16Å; L281-V285 PolarHBondContact O-N 3.46Å; Y282-V285 PolarHBondContact O-N 3.45Å
286Q91.4Very high78.4Confident65 Ų6546.9 Ų46.930%0.30430%0.301SS..THydrogen-bonded Turntrans-101.8-42.5178.4-73.8-72-27.700111.9G14 L207 Y224 Y282 S288G14-Q286 PolarHBondContact O-NE2 3.2Å; L207-Q286 HydrophobicContact CD2-CG 3.82Å; Y224-Q286 HydrophobicContact CD2-CG 4.38Å; Y224-Q286 HydrophobicContact CG-CG 4.18Å; Y282-Q286 HydrophobicContact CD2-CB 3.91Å; Y282-Q286 HydrophobicContact CD2-CG 4.3Å; Y282-Q286 HydrophobicContact CE2-CB 3.85Å; Y282-Q286 HydrophobicContact CE2-CG 4.4Å; Y282-Q286 WeakPolarHBondContact O-CA 3.36Å; Y282-Q286 WeakPolarHBondContact O-CB 3.38Å; Y282-Q286 PolarHBondContact O-N 3.06Å; Q286-S288 VanDerWaalsContact C-N 3.34Å; Q286-S288 PolarHBondContact O-N 3.03Å
287G74.9Confident76.3Confident15 Ų1551.3 Ų51.316%0.15533%0.33CS..SBendtrans-77.4-9.9-171.800000116.2Y282 N283 P289Y282-G287 PolarHBondContact O-N 2.9Å; N283-G287 CarbonylContact O-C 3.56Å; N283-G287 WeakPolarHBondContact O-CA 3.5Å; G287-P289 WeakPolarHBondContact O-CD 3.44Å
288S72.3Confident74.4Confident68 Ų6855.8 Ų55.848%0.47637%0.367SS..SBendtrans-104.793.4-176.4-65.40000110.7N283 Q286 T290N283-S288 PolarHBondContact O-N 3.08Å; N283-S288 PolarHBondContact O-OG 3.14Å; Q286-S288 VanDerWaalsContact C-N 3.34Å; Q286-S288 PolarHBondContact O-N 3.03Å; S288-T290 PolarHBondContact O-N 3.02Å
289P62.6Low72.3Confident41 Ų4160.8 Ų60.827%0.26639%0.394SS..  trans-66.6128.6-178.524.2-31000111.4G287 L294 L300G287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-L294 HydrophobicContact CB-CB 3.32Å; P289-L294 HydrophobicContact CB-CD1 4.13Å; P289-L294 HydrophobicContact CB-CG 4.37Å; P289-L294 HydrophobicContact CG-CB 3.89Å; P289-L300 HydrophobicContact CG-CD1 3.43Å; P289-L300 VanDerWaalsContact CG-CD1 3.43Å
290T56.7Low70.2Confident155 Ų15563.8 Ų63.895%0.95141%0.409SS*.  trans-92.7-4.8173.554.40000112.9S288S288-T290 PolarHBondContact O-N 3.02Å
291G49.5Very low68.3Low39 Ų3967.4 Ų67.440%0.40243%0.434SS..SBendtrans-98137.5-17900000113.8A293 L294 G295G291-A293 PolarHBondContact O-N 2.91Å; G291-L294 PolarHBondContact O-N 3.19Å; G291-L294 VanDerWaalsContact O-N 3.13Å; G291-G295 PolarHBondContact O-N 3.05Å
292A47.8Very low66.2Low97 Ų9772.6 Ų72.680%0.80247%0.468SS*.THydrogen-bonded Turntrans-55.1-27.5-17700000114.9
293A53.5Low64.1Low77 Ų7782.5 Ų82.564%0.63652%0.521SS*.THydrogen-bonded Turntrans-71.5-41.1178.600000112.9G291 S296G291-A293 PolarHBondContact O-N 2.91Å; A293-S296 PolarHBondContact O-OG 3.09Å
294L55.2Low62.5Low107 Ų10785.4 Ų85.456%0.5654%0.541SS*.THydrogen-bonded Turntrans-87.1-16.5-177.1-71.5167.9000113.1P289 G291 S296P289-L294 HydrophobicContact CB-CB 3.32Å; P289-L294 HydrophobicContact CB-CD1 4.13Å; P289-L294 HydrophobicContact CB-CG 4.37Å; P289-L294 HydrophobicContact CG-CB 3.89Å; G291-L294 PolarHBondContact O-N 3.19Å; G291-L294 VanDerWaalsContact O-N 3.13Å; L294-S296 VanDerWaalsContact C-N 3.3Å
295G56.3Low60.7Low43 Ų4382.9 Ų82.944%0.44354%0.543SS..THydrogen-bonded Turntrans-85.77173.700000114.7G291G291-G295 PolarHBondContact O-N 3.05Å
296S49.6Very low58.8Low50 Ų5086.6 Ų86.635%0.3557%0.568SS.*SBendtrans-65.9140.4177.8-69.20000110.6A293 L294 A298 L299 L300A293-S296 PolarHBondContact O-OG 3.09Å; L294-S296 VanDerWaalsContact C-N 3.3Å; S296-A298 PolarHBondContact O-N 3.25Å; S296-L299 PolarHBondContact O-N 2.86Å; S296-L300 PolarHBondContact O-N 2.81Å
297P56Low56.9Low102 Ų10287.9 Ų87.966%0.66258%0.583SS**THydrogen-bonded Turntrans-55.9-21.6-177.7-26.333.4000115.2L300P297-L300 WeakPolarHBondContact CA-O 3.4Å; P297-L300 CarbonylContact O-C 3.56Å
298A57.5Low55.8Low94 Ų9492.4 Ų92.478%0.77761%0.61SS**THydrogen-bonded Turntrans-75.7-26.1175.300000113.8S296S296-A298 PolarHBondContact O-N 3.25Å
299L54.1Low54.7Low105 Ų10594.1 Ų94.155%0.5562%0.619SS.*THydrogen-bonded Turntrans-107.1-17.7179.7-65.9173.2000112.5S296S296-L299 PolarHBondContact O-N 2.86Å
300L55.1Low54.1Low64 Ų6497.9 Ų97.934%0.33564%0.644SS.*SBendtrans-131.187.4171.9-134.3107.5000108.6P289 S296 P297P289-L300 HydrophobicContact CG-CD1 3.43Å; P289-L300 VanDerWaalsContact CG-CD1 3.43Å; S296-L300 PolarHBondContact O-N 2.81Å; P297-L300 WeakPolarHBondContact CA-O 3.4Å; P297-L300 CarbonylContact O-C 3.56Å
301P56.7Low53.9Low97 Ų9793.5 Ų93.563%0.6362%0.62SS**  trans-56.3129.4177.6-21.631.5000109.6
302P55.4Low54.3Low109 Ų10998 Ų9871%0.70864%0.639SS**  trans-62145.6173.724.3-30.5000110.1
303L54Low54.8Low231 Ų23198.1 Ų98.1100%1.20962%0.624SS**  trans-55.90176.8-68.4167.4000112.4

Retrieved 303 of 303 residues in 737.2 ms (Link to these results)

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