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2-aminomuconic semialdehyde dehydrogenase

Catalyzes the NAD-dependent oxidation of 2-aminomuconic semialdehyde of the kynurenine metabolic pathway in L-tryptophan degradation.

AlphaFold DB , UniProt , Accession A0A096MXD8, Species PAPAN (Papio anubis, Olive baboon), Gene ALDH8A1, Length 487 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
1M33.8Very low70.8Confident245 Ų245101.3 Ų101.3100%1.20760%0.603SS**  091.50-74.1-171.3-97.300107.7G3M1-G3 PolarHBondContact O-N 2.78Å
2A37.8Very low73.1Confident104 Ų10492.9 Ų92.986%0.8655%0.553SS**  trans-70.6112.4174.100000106.9T4A2-T4 PolarHBondContact O-N 3.22Å
3G37.7Very low75.1Confident71 Ų7186.3 Ų86.373%0.73251%0.513SS*.  trans-54.6124.117900000109.5M1 K5M1-G3 PolarHBondContact O-N 2.78Å; G3-K5 VanDerWaalsContact C-N 3.33Å; G3-K5 PolarHBondContact O-N 3.4Å
4T46.4Very low76.8Confident148 Ų14880.9 Ų80.991%0.90848%0.48SS*.  trans-5997173.4-10.30000107.2A2 A6A2-T4 PolarHBondContact O-N 3.22Å; T4-A6 PolarHBondContact O-N 3.25Å
5K65Low78.2Confident195 Ų19579.9 Ų79.985%0.84847%0.472SS*.PPolyproline II helixtrans-59.6121.3171.6-124.4178.5-179.7-178.50106G3 L7G3-K5 VanDerWaalsContact C-N 3.33Å; G3-K5 PolarHBondContact O-N 3.4Å; K5-L7 PolarHBondContact O-N 3.02Å
6A79.9Confident79.5Confident99 Ų9976.1 Ų76.182%0.81846%0.455SS*.PPolyproline II helixtrans-55.3128.2175.800000108.7T4T4-A6 PolarHBondContact O-N 3.25Å
7L89.3Confident80.6Confident67 Ų6779.1 Ų79.135%0.35146%0.46SS..PPolyproline II helixtrans-65142.5177.5-71.6172000109.4K5 M9 V35K5-L7 PolarHBondContact O-N 3.02Å; L7-M9 PolarHBondContact O-N 3.24Å; L7-V35 HydrophobicContact CD1-CG1 4Å; L7-V35 HydrophobicContact CD2-CB 4.36Å; L7-V35 HydrophobicContact CD2-CG1 4.06Å; L7-V35 WeakPolarHBondContact CD2-O 3.26Å
8L94.8Very high81.6Confident52 Ų5278.1 Ų78.127%0.27245%0.45SS..EExtended strand (participates in β ladder)trans-65.4123.1172.5174.764000108.7L10 C37 R38 V185 W188L8-L10 HydrophobicContact CD1-CD2 4.32Å; L8-L10 HydrophobicContact CD2-CD2 3.74Å; L8-L10 HydrophobicContact CG-CD2 3.75Å; L8-C37 HydrophobicContact CB-CB 3.77Å; L8-C37 HydrophobicContact CD2-CB 4.08Å; L8-C37 HydrophobicContact CG-CB 4.05Å; L8-C37 CarbonylContact O-C 3.56Å; L8-C37 WeakPolarHBondContact O-CA 3.33Å; L8-C37 VanDerWaalsContact O-CB 3.27Å; L8-C37 WeakPolarHBondContact O-CB 3.45Å; L8-R38 PolarHBondContact O-N 3.24Å; L8-V185 HydrophobicContact CD2-CG1 4.04Å; L8-V185 HydrophobicContact CD2-CG2 4.13Å; L8-W188 HydrophobicContact CD1-CH2 4.09Å; L8-W188 HydrophobicContact CD1-CZ3 4.11Å
9M97.1Very high82.4Confident74 Ų7477.8 Ų77.837%0.36545%0.446SS..EExtended strand (participates in β ladder)trans-102.5116.4175-58.1-63.1-57.500107.7L7 Y24 R38L7-M9 PolarHBondContact O-N 3.24Å; M9-Y24 HydrophobicContact CE-CD1 3.63Å; M9-Y24 HydrophobicContact CE-CD2 3.75Å; M9-Y24 HydrophobicContact CE-CE1 3.66Å; M9-Y24 HydrophobicContact CE-CE2 3.79Å; M9-Y24 HydrophobicContact CE-CG 3.7Å; M9-R38 HydrophobicContact CE-CB 3.75Å; M9-R38 HydrophobicContact CE-CG 4.46Å; M9-R38 HydrophobicContact SD-CB 3.63Å; M9-R38 HydrophobicContact SD-CG 4.1Å
10L98.1Very high83Confident0 Ų078.2 Ų78.20%045%0.452CS..PPolyproline II helixtrans-82.5158.3175.5-52-172.3000110.3L8 Y24 R38 V39 P40 V185 W188L8-L10 HydrophobicContact CD1-CD2 4.32Å; L8-L10 HydrophobicContact CD2-CD2 3.74Å; L8-L10 HydrophobicContact CG-CD2 3.75Å; L10-Y24 WeakPolarHBondContact O-CE1 3.39Å; L10-R38 PolarHBondContact N-O 3.11Å; L10-V39 HydrophobicContact CD1-CG2 4Å; L10-P40 WeakPolarHBondContact O-CD 3.44Å; L10-P40 WeakPolarHBondContact O-CG 3.48Å; L10-V185 HydrophobicContact CD1-CG2 4.3Å; L10-V185 HydrophobicContact CD2-CG2 4.4Å; L10-W188 HydrophobicContact CB-CG 4.29Å; L10-W188 HydrophobicContact CD1-CB 4.26Å; L10-W188 HydrophobicContact CD2-CB 4.11Å; L10-W188 HydrophobicContact CD2-CD2 3.65Å; L10-W188 HydrophobicContact CD2-CE3 3.79Å; L10-W188 HydrophobicContact CD2-CG 3.8Å; L10-W188 HydrophobicContact CD2-CZ3 4.47Å; L10-W188 HydrophobicContact CG-CG 4.46Å
11E98.4Very high83.4Confident59 Ų5975.1 Ų75.128%0.27644%0.435SS..  trans-129.8149.2-179.8-67174106.900108.9F18 W188 F208E11-F18 HydrophobicContact CB-CB 3.97Å; E11-F18 HydrophobicContact CB-CD1 4.15Å; E11-W188 VanDerWaalsContact O-CD1 3.31Å; E11-F208 WeakPolarHBondContact O-CE2 2.96Å
12N98.6Very high86.1Confident1 Ų169.3 Ų69.31%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-65.1149.8169.9-68.3-46.6000109.9I14 F18 L19 S42 V207 F208N12-I14 HydrophobicContact CB-CD1 4.17Å; N12-I14 HydrophobicContact CB-CG1 4.29Å; N12-F18 CarbonylContact O-C 3.5Å; N12-F18 VanDerWaalsContact O-CA 3.27Å; N12-F18 WeakPolarHBondContact O-CA 3.44Å; N12-L19 PolarHBondContact N-O 3.43Å; N12-L19 PolarHBondContact O-N 2.9Å; N12-S42 PolarHBondContact ND2-OG 3.01Å; N12-V207 WeakPolarHBondContact OD1-CA 3.4Å; N12-F208 PolarHBondContact OD1-N 3.39Å
13F98.8Very high88.8Confident7 Ų766.8 Ų66.83%0.03139%0.394CS..EExtended strand (participates in β ladder)trans-112.6103.7173.3-174.3-105.4000109.3K17 F18 C191 D195 N205 I206F13-K17 WeakPolarHBondContact CA-O 3.44Å; F13-F18 HydrophobicContact CD2-CD1 4.22Å; F13-F18 HydrophobicContact CD2-CD2 4.32Å; F13-F18 HydrophobicContact CD2-CE1 4.09Å; F13-F18 HydrophobicContact CD2-CE2 4.17Å; F13-F18 HydrophobicContact CD2-CG 4.35Å; F13-F18 HydrophobicContact CD2-CZ 4.07Å; F13-F18 HydrophobicContact CE2-CE2 4.27Å; F13-F18 HydrophobicContact CE2-CZ 4.43Å; F13-C191 HydrophobicContact CB-CB 3.9Å; F13-C191 WeakPolarHBondContact CB-SG 3.38Å; F13-C191 HydrophobicContact CD1-CB 3.98Å; F13-C191 HydrophobicContact CD2-CB 3.63Å; F13-C191 HydrophobicContact CE1-CB 4.38Å; F13-C191 HydrophobicContact CE2-CB 4.05Å; F13-C191 HydrophobicContact CG-CB 3.56Å; F13-C191 HydrophobicContact CZ-CB 4.39Å; F13-D195 HydrophobicContact CZ-CB 4.46Å; F13-N205 CarbonylContact O-C 3.6Å; F13-N205 WeakPolarHBondContact O-CA 3.5Å; F13-I206 HydrophobicContact CB-CB 4.39Å; F13-I206 PolarHBondContact N-O 3.07Å; F13-I206 PolarHBondContact O-N 3.3Å
14I98.8Very high91.7Very high10 Ų1066.5 Ų66.55%0.05137%0.371CS..EExtended strand (participates in β ladder)trans-131.8131.7-175.2-61.4173.5000107.9N12 G16 K17 L19 E46 A49 A50 A53 V207N12-I14 HydrophobicContact CB-CD1 4.17Å; N12-I14 HydrophobicContact CB-CG1 4.29Å; I14-G16 PolarHBondContact O-N 3.17Å; I14-K17 PolarHBondContact N-O 2.95Å; I14-K17 PolarHBondContact O-N 3Å; I14-L19 HydrophobicContact CB-CD1 3.92Å; I14-L19 HydrophobicContact CD1-CD1 4.33Å; I14-E46 HydrophobicContact CD1-CB 4.19Å; I14-A49 HydrophobicContact CG2-CB 4.48Å; I14-A50 HydrophobicContact CD1-CB 4.26Å; I14-A50 HydrophobicContact CG1-CB 4.16Å; I14-A50 HydrophobicContact CG2-CB 4.44Å; I14-A53 HydrophobicContact CG2-CB 4.37Å; I14-V207 HydrophobicContact CD1-CG2 4.15Å; I14-V207 HydrophobicContact CG1-CG2 4.27Å
15D98.6Very high94.1Very high67 Ų6761.7 Ų61.736%0.35834%0.34SS..THydrogen-bonded Turntrans52.842.2178.2-166.736.7000113.4K17 A53 P201 N205D15-K17 PolarHBondContact O-N 3.11Å; D15-A53 HydrophobicContact CB-CB 3.87Å; D15-P201 WeakPolarHBondContact OD1-CB 3.19Å; D15-N205 PolarHBondContact N-OD1 2.85Å
16G98.2Very high95.6Very high19 Ų1955.1 Ų55.120%0.19631%0.314CS..THydrogen-bonded Turntrans72.410.1-179.700000115.1I14I14-G16 PolarHBondContact O-N 3.17Å
17K98.4Very high96.4Very high126 Ų12650.5 Ų50.555%0.54828%0.275SS..EExtended strand (participates in β ladder)trans-124.3143.1-176.6-65171.4-172.8163.50111.7F13 I14 D15 L19F13-K17 WeakPolarHBondContact CA-O 3.44Å; I14-K17 PolarHBondContact N-O 2.95Å; I14-K17 PolarHBondContact O-N 3Å; D15-K17 PolarHBondContact O-N 3.11Å; K17-L19 HydrophobicContact CB-CD2 4.23Å
18F98.6Very high96.8Very high62 Ų6252.1 Ų52.127%0.27228%0.278SS..EExtended strand (participates in β ladder)trans-78.2124.4165.9-68-81.6000109.5E11 N12 F13 W188 C191E11-F18 HydrophobicContact CB-CB 3.97Å; E11-F18 HydrophobicContact CB-CD1 4.15Å; N12-F18 CarbonylContact O-C 3.5Å; N12-F18 VanDerWaalsContact O-CA 3.27Å; N12-F18 WeakPolarHBondContact O-CA 3.44Å; F13-F18 HydrophobicContact CD2-CD1 4.22Å; F13-F18 HydrophobicContact CD2-CD2 4.32Å; F13-F18 HydrophobicContact CD2-CE1 4.09Å; F13-F18 HydrophobicContact CD2-CE2 4.17Å; F13-F18 HydrophobicContact CD2-CG 4.35Å; F13-F18 HydrophobicContact CD2-CZ 4.07Å; F13-F18 HydrophobicContact CE2-CE2 4.27Å; F13-F18 HydrophobicContact CE2-CZ 4.43Å; F18-W188 AromaticContact CD1-CD1 3.98Å; F18-W188 AromaticContact CD1-NE1 3.47Å; F18-W188 AromaticContact CE1-CD1 3.68Å; F18-W188 HydrophobicContact CE1-CG 4.46Å; F18-W188 AromaticContact CE1-NE1 3.38Å; F18-C191 HydrophobicContact CE1-CB 3.66Å; F18-C191 HydrophobicContact CZ-CB 3.54Å
19L97.7Very high97Very high72 Ų7250.3 Ų50.338%0.37727%0.268SS..EExtended strand (participates in β ladder)trans-123.6122.4-178-59.2-178.6000109.7N12 I14 K17N12-L19 PolarHBondContact N-O 3.43Å; N12-L19 PolarHBondContact O-N 2.9Å; I14-L19 HydrophobicContact CB-CD1 3.92Å; I14-L19 HydrophobicContact CD1-CD1 4.33Å; K17-L19 HydrophobicContact CB-CD2 4.23Å
20P93.8Very high97Very high86 Ų8646.8 Ų46.856%0.55825%0.251SS*.  trans-69.6160.4175.230.5-35.5000110.8
21C91.4Very high97Very high14 Ų1447.4 Ų47.410%0.09526%0.255CS..  trans-111.7162.6172-167.80000110.7S23 Y24 P40C21-S23 VanDerWaalsContact C-N 3.33Å; C21-Y24 PolarHBondContact N-OH 3.41Å; C21-Y24 VanDerWaalsContact N-OH 3.1Å; C21-Y24 WeakPolarHBondContact O-CE2 3.43Å; C21-Y24 PolarHBondContact O-OH 2.81Å; C21-P40 HydrophobicContact CB-CB 3.79Å
22S90Very high97Very high122 Ų12244.9 Ų44.985%0.85324%0.244SC*.SBendtrans-77.6-19.2176.658.90000113.2
23S95.7Very high96.9Very high51 Ų5145.9 Ų45.936%0.35725%0.254SS..  trans-136.8150.2-176.7-174.40000110.9C21 N41C21-S23 VanDerWaalsContact C-N 3.33Å; S23-N41 PolarHBondContact O-N 3.04Å
24Y97.4Very high96.8Very high66 Ų6650.7 Ų50.726%0.25928%0.277SS..EExtended strand (participates in β ladder)trans-139153.8-176-64.6-93.8000112M9 L10 C21 R38 V39 P40M9-Y24 HydrophobicContact CE-CD1 3.63Å; M9-Y24 HydrophobicContact CE-CD2 3.75Å; M9-Y24 HydrophobicContact CE-CE1 3.66Å; M9-Y24 HydrophobicContact CE-CE2 3.79Å; M9-Y24 HydrophobicContact CE-CG 3.7Å; L10-Y24 WeakPolarHBondContact O-CE1 3.39Å; C21-Y24 PolarHBondContact N-OH 3.41Å; C21-Y24 VanDerWaalsContact N-OH 3.1Å; C21-Y24 WeakPolarHBondContact O-CE2 3.43Å; C21-Y24 PolarHBondContact O-OH 2.81Å; Y24-R38 HydrophobicContact CD1-CB 4.09Å; Y24-R38 HydrophobicContact CG-CB 4.26Å; Y24-V39 CarbonylContact C-O 3.52Å; Y24-V39 WeakPolarHBondContact CA-O 3.33Å; Y24-P40 HydrophobicContact CE1-CG 4.28Å
25I96.9Very high96.7Very high47 Ų4752.3 Ų52.324%0.24129%0.287CS..EExtended strand (participates in β ladder)trans-112.8134.5174.2-44.7-179.8000107.8S27 R38 V39 N41 T210I25-S27 PolarHBondContact O-N 2.71Å; I25-R38 CarbonylContact O-C 3.31Å; I25-R38 WeakPolarHBondContact O-CA 3.25Å; I25-V39 PolarHBondContact N-O 3.01Å; I25-V39 PolarHBondContact O-N 2.87Å; I25-N41 HydrophobicContact CD1-CB 4.11Å; I25-N41 HydrophobicContact CG1-CB 3.64Å; I25-T210 HydrophobicContact CD1-CG2 3.44Å; I25-T210 VanDerWaalsContact CD1-CG2 3.44Å
26D97.6Very high96.6Very high57 Ų5751.1 Ų51.131%0.30528%0.278SS..EExtended strand (participates in β ladder)trans-70.8127.6172.3-71.5-20.3000109.7Y28 V35 R38D26-Y28 HydrophobicContact CB-CE2 4.2Å; D26-V35 HydrophobicContact CB-CG1 3.87Å; D26-V35 HydrophobicContact CB-CG2 3.97Å; D26-R38 WeakPolarHBondContact OD1-CG 3.12Å; D26-R38 IonicContact OD1-CZ 3.9Å; D26-R38 IonicContact OD1-NE 2.8Å; D26-R38 PolarHBondContact OD1-NE 3.42Å; D26-R38 IonicContact OD1-NH2 3.8Å
27S96.5Very high96.5Very high2 Ų250.2 Ų50.21%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-104.6141.9164.9-176.10000109.2I25 Y36 C37 D94 L182I25-S27 PolarHBondContact O-N 2.71Å; S27-Y36 PolarHBondContact O-N 3.03Å; S27-C37 PolarHBondContact N-O 2.68Å; S27-C37 PolarHBondContact O-N 3.3Å; S27-D94 PolarHBondContact OG-OD1 2.98Å; S27-L182 PolarHBondContact OG-O 2.9Å
28Y97.7Very high96.5Very high101 Ų10149 Ų4940%0.39626%0.26SS..EExtended strand (participates in β ladder)trans-109.1147.7-168.3-62.6-95.6000110.9D26 P30 E34 V35D26-Y28 HydrophobicContact CB-CE2 4.2Å; Y28-P30 WeakPolarHBondContact O-CD 3.23Å; Y28-E34 CarbonylContact C-O 3.57Å; Y28-E34 VanDerWaalsContact CA-O 3.31Å; Y28-E34 WeakPolarHBondContact CA-O 3.36Å; Y28-V35 HydrophobicContact CD1-CG2 4.05Å; Y28-V35 HydrophobicContact CE1-CG2 3.65Å
29D97.9Very high96.5Very high13 Ų1346 Ų467%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-76109.9161.7179.5-28.4000107.7S31 T32 G33 E34 K93D29-S31 PolarHBondContact O-N 3.18Å; D29-S31 VanDerWaalsContact O-N 3.12Å; D29-S31 VanDerWaalsContact OD1-CB 3.31Å; D29-S31 WeakPolarHBondContact OD1-CB 3.21Å; D29-S31 PolarHBondContact OD1-N 3.34Å; D29-S31 PolarHBondContact OD1-OG 2.83Å; D29-T32 PolarHBondContact O-N 2.95Å; D29-G33 WeakPolarHBondContact O-CA 3.13Å; D29-G33 PolarHBondContact O-N 2.67Å; D29-E34 PolarHBondContact N-O 3.1Å; D29-K93 HydrophobicContact CB-CG 4.49Å; D29-K93 WeakPolarHBondContact OD2-CE 3.5Å; D29-K93 WeakPolarHBondContact OD2-CG 3.42Å
30P98.4Very high96.5Very high0 Ų042.6 Ų42.60%023%0.23CC..THydrogen-bonded Turntrans-66.2-20.2-173.1-2438.7000113.2Y28 T32 K93 A328 L329 I330 G370 Y371Y28-P30 WeakPolarHBondContact O-CD 3.23Å; P30-T32 VanDerWaalsContact C-N 3.34Å; P30-K93 VanDerWaalsContact CD-O 3.24Å; P30-K93 WeakPolarHBondContact CD-O 3.3Å; P30-A328 HydrophobicContact CB-CB 4.04Å; P30-A328 VanDerWaalsContact O-CB 3.28Å; P30-A328 WeakPolarHBondContact O-CB 3.19Å; P30-L329 VanDerWaalsContact CB-O 3.29Å; P30-L329 WeakPolarHBondContact CB-O 3.32Å; P30-I330 HydrophobicContact CG-CD1 4.23Å; P30-I330 WeakPolarHBondContact CG-O 3.29Å; P30-G370 CarbonylContact O-C 3.52Å; P30-G370 VanDerWaalsContact O-CA 3.24Å; P30-G370 WeakPolarHBondContact O-CA 3.48Å; P30-Y371 HydrophobicContact CB-CD2 3.8Å; P30-Y371 HydrophobicContact CB-CE2 4.25Å; P30-Y371 PolarHBondContact O-N 2.79Å
31S97.8Very high96.7Very high13 Ų1341.1 Ų41.19%0.09122%0.217CC..THydrogen-bonded Turntrans-79.8-14.7-178.979.50000114D29 P319 S367 F372D29-S31 PolarHBondContact O-N 3.18Å; D29-S31 VanDerWaalsContact O-N 3.12Å; D29-S31 VanDerWaalsContact OD1-CB 3.31Å; D29-S31 WeakPolarHBondContact OD1-CB 3.21Å; D29-S31 PolarHBondContact OD1-N 3.34Å; D29-S31 PolarHBondContact OD1-OG 2.83Å; S31-P319 VanDerWaalsContact CB-CD 3.44Å; S31-S367 WeakPolarHBondContact O-CA 3.38Å; S31-S367 VanDerWaalsContact O-CB 3.27Å; S31-S367 WeakPolarHBondContact O-CB 3.49Å; S31-S367 PolarHBondContact O-OG 3.08Å; S31-F372 WeakPolarHBondContact O-CE2 3.48Å
32T97.6Very high97Very high7 Ų740.6 Ų40.64%0.04321%0.213CC..THydrogen-bonded Turntrans-124.7-23.4177.666.90000112.8D29 P30 E34 R366 A369D29-T32 PolarHBondContact O-N 2.95Å; P30-T32 VanDerWaalsContact C-N 3.34Å; T32-E34 WeakPolarHBondContact OG1-CB 3.11Å; T32-E34 PolarHBondContact OG1-N 3.28Å; T32-R366 HydrophobicContact CG2-CG 4.2Å; T32-A369 CarbonylContact O-C 3.48Å; T32-A369 WeakPolarHBondContact O-CB 3.35Å
33G96.6Very high97.3Very high22 Ų2235.7 Ų35.723%0.22718%0.182CC..THydrogen-bonded Turntrans75.49.1-17200000114D29 Y371D29-G33 WeakPolarHBondContact O-CA 3.13Å; D29-G33 PolarHBondContact O-N 2.67Å; G33-Y371 WeakPolarHBondContact CA-OH 3.03Å
34E96.7Very high97.4Very high107 Ų10740.2 Ų40.250%0.520%0.195SC..EExtended strand (participates in β ladder)trans-87.2152.7177.3-61.1175.6150.800110.8Y28 D29 T32 Y36 R366Y28-E34 CarbonylContact C-O 3.57Å; Y28-E34 VanDerWaalsContact CA-O 3.31Å; Y28-E34 WeakPolarHBondContact CA-O 3.36Å; D29-E34 PolarHBondContact N-O 3.1Å; T32-E34 WeakPolarHBondContact OG1-CB 3.11Å; T32-E34 PolarHBondContact OG1-N 3.28Å; E34-Y36 PolarHBondContact O-N 3.1Å; E34-R366 IonicContact OE2-NH2 3.51Å
35V97.4Very high97.4Very high44 Ų4443.3 Ų43.327%0.26722%0.216SC..EExtended strand (participates in β ladder)trans-64.9123.3173.3-179.40000109.4L7 D26 Y28L7-V35 HydrophobicContact CD1-CG1 4Å; L7-V35 HydrophobicContact CD2-CB 4.36Å; L7-V35 HydrophobicContact CD2-CG1 4.06Å; L7-V35 WeakPolarHBondContact CD2-O 3.26Å; D26-V35 HydrophobicContact CB-CG1 3.87Å; D26-V35 HydrophobicContact CB-CG2 3.97Å; Y28-V35 HydrophobicContact CD1-CG2 4.05Å; Y28-V35 HydrophobicContact CE1-CG2 3.65Å
36Y96.1Very high97.5Very high42 Ų4243.5 Ų43.517%0.16522%0.216CC..EExtended strand (participates in β ladder)trans-91-51.2177175.8-151.7000111.6S27 E34 K93 D94 V185S27-Y36 PolarHBondContact O-N 3.03Å; E34-Y36 PolarHBondContact O-N 3.1Å; Y36-K93 HydrophobicContact CD1-CD 4.34Å; Y36-K93 HydrophobicContact CD1-CG 4.15Å; Y36-K93 HydrophobicContact CD2-CD 3.99Å; Y36-K93 VanDerWaalsContact CD2-CE 3.45Å; Y36-K93 HydrophobicContact CE1-CB 4.29Å; Y36-K93 HydrophobicContact CE1-CD 4.04Å; Y36-K93 HydrophobicContact CE1-CG 4.02Å; Y36-K93 HydrophobicContact CE2-CD 3.72Å; Y36-K93 VanDerWaalsContact CE2-NZ 3.3Å; Y36-K93 HydrophobicContact CG-CD 4.32Å; Y36-K93 HydrophobicContact CG-CG 4.43Å; Y36-D94 HydrophobicContact CD1-CB 4.27Å; Y36-D94 HydrophobicContact CE1-CB 4.07Å; Y36-V185 HydrophobicContact CD1-CG2 4.26Å; Y36-V185 HydrophobicContact CE1-CB 4.39Å; Y36-V185 HydrophobicContact CE1-CG1 4.45Å; Y36-V185 HydrophobicContact CE1-CG2 3.72Å
37C97.2Very high97.6Very high0 Ų040.9 Ų40.90%020%0.202CC..EExtended strand (participates in β ladder)trans-146.7170.5-177.274.80000111.6L8 S27 V185L8-C37 HydrophobicContact CB-CB 3.77Å; L8-C37 HydrophobicContact CD2-CB 4.08Å; L8-C37 HydrophobicContact CG-CB 4.05Å; L8-C37 CarbonylContact O-C 3.56Å; L8-C37 WeakPolarHBondContact O-CA 3.33Å; L8-C37 VanDerWaalsContact O-CB 3.27Å; L8-C37 WeakPolarHBondContact O-CB 3.45Å; S27-C37 PolarHBondContact N-O 2.68Å; S27-C37 PolarHBondContact O-N 3.3Å; C37-V185 HydrophobicContact CB-CG2 4.34Å
38R97.8Very high97.7Very high101 Ų10144.8 Ų44.838%0.38122%0.22SC..EExtended strand (participates in β ladder)trans-115.5119.4173.4-78.7-172.1174.1169.13.3109.7L8 M9 L10 Y24 I25 D26L8-R38 PolarHBondContact O-N 3.24Å; M9-R38 HydrophobicContact CE-CB 3.75Å; M9-R38 HydrophobicContact CE-CG 4.46Å; M9-R38 HydrophobicContact SD-CB 3.63Å; M9-R38 HydrophobicContact SD-CG 4.1Å; L10-R38 PolarHBondContact N-O 3.11Å; Y24-R38 HydrophobicContact CD1-CB 4.09Å; Y24-R38 HydrophobicContact CG-CB 4.26Å; I25-R38 CarbonylContact O-C 3.31Å; I25-R38 WeakPolarHBondContact O-CA 3.25Å; D26-R38 WeakPolarHBondContact OD1-CG 3.12Å; D26-R38 IonicContact OD1-CZ 3.9Å; D26-R38 IonicContact OD1-NE 2.8Å; D26-R38 PolarHBondContact OD1-NE 3.42Å; D26-R38 IonicContact OD1-NH2 3.8Å
39V98.1Very high97.7Very high0 Ų042.1 Ų42.10%022%0.219CC..EExtended strand (participates in β ladder)trans-96.4136.7-177-175.70000108.9L10 Y24 I25 N41 F208L10-V39 HydrophobicContact CD1-CG2 4Å; Y24-V39 CarbonylContact C-O 3.52Å; Y24-V39 WeakPolarHBondContact CA-O 3.33Å; I25-V39 PolarHBondContact N-O 3.01Å; I25-V39 PolarHBondContact O-N 2.87Å; V39-N41 PolarHBondContact O-N 3.28Å; V39-F208 HydrophobicContact CG1-CB 3.61Å; V39-F208 HydrophobicContact CG1-CD1 4.22Å; V39-F208 HydrophobicContact CG1-CG 4.19Å
40P98.3Very high97.8Very high0 Ų041.5 Ų41.50%022%0.215CC..EExtended strand (participates in β ladder)trans-50134.5173.8-28.532000112.1L10 C21 Y24 S42 F208 G209L10-P40 WeakPolarHBondContact O-CD 3.44Å; L10-P40 WeakPolarHBondContact O-CG 3.48Å; C21-P40 HydrophobicContact CB-CB 3.79Å; Y24-P40 HydrophobicContact CE1-CG 4.28Å; P40-S42 PolarHBondContact O-N 3.02Å; P40-F208 HydrophobicContact CB-CB 4.04Å; P40-F208 HydrophobicContact CG-CB 4.07Å; P40-F208 HydrophobicContact CG-CD2 4.23Å; P40-F208 CarbonylContact O-C 3.48Å; P40-F208 VanDerWaalsContact O-C 3.31Å; P40-F208 VanDerWaalsContact O-O 3.11Å; P40-G209 WeakPolarHBondContact O-CA 3.46Å; P40-G209 PolarHBondContact O-N 3.44Å
41N97.4Very high97.8Very high55 Ų5541.5 Ų41.529%0.29422%0.215SC..  trans-99.164.5169.9-169.515.5000109.2S23 I25 V39S23-N41 PolarHBondContact O-N 3.04Å; I25-N41 HydrophobicContact CD1-CB 4.11Å; I25-N41 HydrophobicContact CG1-CB 3.64Å; V39-N41 PolarHBondContact O-N 3.28Å
42S98.3Very high97.8Very high3 Ų345.7 Ų45.72%0.02123%0.232CC..  trans-76.7172.4-174.7-58.10000112.8N12 P40 E46 F208 T213 V214N12-S42 PolarHBondContact ND2-OG 3.01Å; P40-S42 PolarHBondContact O-N 3.02Å; S42-E46 WeakPolarHBondContact CB-OE2 3.38Å; S42-F208 WeakPolarHBondContact CB-O 3.33Å; S42-F208 PolarHBondContact N-O 3.25Å; S42-F208 PolarHBondContact OG-O 3.32Å; S42-T213 WeakPolarHBondContact O-CB 3.3Å; S42-T213 PolarHBondContact O-OG1 3.01Å; S42-T213 VanDerWaalsContact O-OG1 3.07Å; S42-V214 WeakPolarHBondContact O-CG2 3.48Å
43G96.4Very high97.9Very high19 Ų1945.7 Ų45.720%0.19623%0.233CC..  trans-142-148.6-178.200000112.8D45 E46 I47G43-D45 VanDerWaalsContact C-N 3.33Å; G43-D45 PolarHBondContact O-N 3.18Å; G43-E46 PolarHBondContact N-OE2 2.89Å; G43-I47 PolarHBondContact O-N 3.31Å
44K97.4Very high98Very high146 Ų14644.7 Ų44.764%0.63522%0.222SC*.Hα-helixtrans-63.6-37.3-173.9-174.4-179.6175.4-174.80112.7I47 E48 A217K44-I47 PolarHBondContact O-N 3.37Å; K44-E48 PolarHBondContact O-N 3.26Å; K44-A217 HydrophobicContact CB-CB 4.4Å
45D97.9Very high98.1Very high131 Ų13144.2 Ų44.270%0.70122%0.216SC*.Hα-helixtrans-67.9-40.7-174.5-63.4-14000111.6G43 I47 E48 A49G43-D45 VanDerWaalsContact C-N 3.33Å; G43-D45 PolarHBondContact O-N 3.18Å; D45-I47 VanDerWaalsContact C-N 3.35Å; D45-E48 PolarHBondContact O-N 3.45Å; D45-A49 PolarHBondContact O-N 3.12Å
46E98.5Very high98.2Very high50 Ų5047.9 Ų47.923%0.23423%0.23CC..Hα-helixtrans-68.1-34.4173.5-67.781.7-171.900112.5I14 S42 G43 A49 A50 V207I14-E46 HydrophobicContact CD1-CB 4.19Å; S42-E46 WeakPolarHBondContact CB-OE2 3.38Å; G43-E46 PolarHBondContact N-OE2 2.89Å; E46-A49 PolarHBondContact O-N 3.33Å; E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.37Å; E46-A50 PolarHBondContact O-N 3.31Å; E46-V207 HydrophobicContact CB-CG1 3.87Å
47I98.7Very high98.3Very high2 Ų246.6 Ų46.61%0.0123%0.228CC..Hα-helixtrans-64.2-45.5172.6-74.7-59.5000111.1G43 K44 D45 A49 A50 V51 V176 V207 V214 A217 L218G43-I47 PolarHBondContact O-N 3.31Å; K44-I47 PolarHBondContact O-N 3.37Å; D45-I47 VanDerWaalsContact C-N 3.35Å; I47-A49 VanDerWaalsContact C-N 3.33Å; I47-A49 PolarHBondContact O-N 2.98Å; I47-A50 PolarHBondContact O-N 2.96Å; I47-V51 HydrophobicContact CG2-CG2 4.22Å; I47-V51 WeakPolarHBondContact O-CB 3.24Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.45Å; I47-V51 PolarHBondContact O-N 2.87Å; I47-V176 HydrophobicContact CD1-CG1 4.05Å; I47-V207 HydrophobicContact CD1-CB 4.03Å; I47-V207 HydrophobicContact CD1-CG1 4.13Å; I47-V207 HydrophobicContact CD1-CG2 4.14Å; I47-V214 HydrophobicContact CD1-CG1 3.57Å; I47-V214 HydrophobicContact CG1-CG1 3.9Å; I47-A217 HydrophobicContact CB-CB 4.25Å; I47-A217 HydrophobicContact CG1-CB 4.09Å; I47-A217 HydrophobicContact CG2-CB 4.25Å; I47-L218 HydrophobicContact CD1-CB 3.98Å; I47-L218 HydrophobicContact CD1-CD1 4.44Å
48E98.8Very high98.4Very high85 Ų8548.9 Ų48.940%0.39724%0.238SC..Hα-helixtrans-59.2-45.3177.1-173.868.5-142.900110.9K44 D45 A50 V51 K52 H221K44-E48 PolarHBondContact O-N 3.26Å; D45-E48 PolarHBondContact O-N 3.45Å; E48-A50 PolarHBondContact O-N 2.86Å; E48-V51 PolarHBondContact O-N 3.06Å; E48-K52 VanDerWaalsContact O-CB 3.28Å; E48-K52 WeakPolarHBondContact O-CB 2.98Å; E48-K52 PolarHBondContact O-N 3.37Å; E48-H221 IonicContact OE1-NE2 2.61Å; E48-H221 IonicContact OE2-CD2 2.7Å; E48-H221 IonicContact OE2-NE2 2.75Å; E48-H221 PolarHBondContact OE2-NE2 3.42Å
49A98.8Very high98.4Very high44 Ų4448 Ų4836%0.36425%0.246SC..Hα-helixtrans-61.7-44.1176.200000112.3I14 D45 E46 I47 K52 A53I14-A49 HydrophobicContact CG2-CB 4.48Å; D45-A49 PolarHBondContact O-N 3.12Å; E46-A49 PolarHBondContact O-N 3.33Å; I47-A49 VanDerWaalsContact C-N 3.33Å; I47-A49 PolarHBondContact O-N 2.98Å; A49-K52 PolarHBondContact O-N 3.25Å; A49-A53 WeakPolarHBondContact O-CB 3.17Å; A49-A53 PolarHBondContact O-N 2.91Å
50A98.9Very high98.4Very high0 Ų050.2 Ų50.20%027%0.269CS..Hα-helixtrans-66.3-42.2178.500000112.6I14 E46 I47 E48 A53 A54 V176 N205 V207I14-A50 HydrophobicContact CD1-CB 4.26Å; I14-A50 HydrophobicContact CG1-CB 4.16Å; I14-A50 HydrophobicContact CG2-CB 4.44Å; E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.37Å; E46-A50 PolarHBondContact O-N 3.31Å; I47-A50 PolarHBondContact O-N 2.96Å; E48-A50 PolarHBondContact O-N 2.86Å; A50-A53 PolarHBondContact O-N 3.29Å; A50-A54 WeakPolarHBondContact O-CB 3.17Å; A50-A54 PolarHBondContact O-N 3.11Å; A50-V176 HydrophobicContact CB-CG1 3.88Å; A50-V176 HydrophobicContact CB-CG2 4.08Å; A50-N205 HydrophobicContact CB-CB 3.89Å; A50-V207 HydrophobicContact CB-CG2 3.64Å
51V98.9Very high98.5Very high0 Ų050.3 Ų50.30%027%0.269CS..Hα-helixtrans-67.5-41.2177.5174.80000110.7I47 E48 A53 A54 R55 V176 H221 E223 V224I47-V51 HydrophobicContact CG2-CG2 4.22Å; I47-V51 WeakPolarHBondContact O-CB 3.24Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.45Å; I47-V51 PolarHBondContact O-N 2.87Å; E48-V51 PolarHBondContact O-N 3.06Å; V51-A53 PolarHBondContact O-N 3.23Å; V51-A54 PolarHBondContact O-N 3.49Å; V51-R55 WeakPolarHBondContact O-CB 3.34Å; V51-R55 PolarHBondContact O-N 3Å; V51-V176 HydrophobicContact CG2-CG2 4.01Å; V51-H221 WeakPolarHBondContact CG1-CE1 3.37Å; V51-E223 HydrophobicContact CG1-CB 4.03Å; V51-V224 HydrophobicContact CG1-CG2 4.15Å; V51-V224 HydrophobicContact CG2-CG2 3.69Å
52K98.9Very high98.5Very high102 Ų10249.2 Ų49.244%0.44327%0.266SS..Hα-helixtrans-57.1-49.8173.6178.6-179.5173.6-170.80111.4E48 A49 A54 R55 E56E48-K52 VanDerWaalsContact O-CB 3.28Å; E48-K52 WeakPolarHBondContact O-CB 2.98Å; E48-K52 PolarHBondContact O-N 3.37Å; A49-K52 PolarHBondContact O-N 3.25Å; K52-A54 PolarHBondContact O-N 3.25Å; K52-R55 PolarHBondContact O-N 2.83Å; K52-E56 WeakPolarHBondContact CE-OE1 3.43Å; K52-E56 WeakPolarHBondContact CG-OE1 3.44Å; K52-E56 WeakPolarHBondContact O-CG 3.47Å; K52-E56 PolarHBondContact O-N 3.48Å
53A98.9Very high98.5Very high7 Ų753.6 Ų53.66%0.05830%0.296CS..Hα-helixtrans-60.6-44177.400000111.8I14 D15 A49 A50 V51 R55 E56 A57I14-A53 HydrophobicContact CG2-CB 4.37Å; D15-A53 HydrophobicContact CB-CB 3.87Å; A49-A53 WeakPolarHBondContact O-CB 3.17Å; A49-A53 PolarHBondContact O-N 2.91Å; A50-A53 PolarHBondContact O-N 3.29Å; V51-A53 PolarHBondContact O-N 3.23Å; A53-R55 VanDerWaalsContact C-N 3.34Å; A53-R55 PolarHBondContact O-N 3.26Å; A53-E56 PolarHBondContact O-N 3.27Å; A53-A57 WeakPolarHBondContact O-CB 3.25Å; A53-A57 PolarHBondContact O-N 3.1Å
54A98.9Very high98.6Very high0 Ų056.6 Ų56.60%030%0.302CS..Hα-helixtrans-61.2-40.3176.800000112.9A50 V51 K52 F58 V147 T174 V176 G202A50-A54 WeakPolarHBondContact O-CB 3.17Å; A50-A54 PolarHBondContact O-N 3.11Å; V51-A54 PolarHBondContact O-N 3.49Å; K52-A54 PolarHBondContact O-N 3.25Å; A54-F58 WeakPolarHBondContact O-CB 3.44Å; A54-F58 PolarHBondContact O-N 3.1Å; A54-F58 VanDerWaalsContact O-N 3.13Å; A54-V147 HydrophobicContact CB-CB 4.43Å; A54-V147 HydrophobicContact CB-CG1 3.69Å; A54-V147 HydrophobicContact CB-CG2 3.9Å; A54-T174 WeakPolarHBondContact O-CB 3.36Å; A54-T174 WeakPolarHBondContact O-CG2 3.39Å; A54-T174 PolarHBondContact O-OG1 3.43Å; A54-V176 HydrophobicContact CB-CG2 3.97Å; A54-G202 VanDerWaalsContact CA-O 3.25Å; A54-G202 WeakPolarHBondContact CA-O 3.28Å
55R98.8Very high98.5Very high97 Ų9751.5 Ų51.537%0.36629%0.285SS..Hα-helixtrans-67.7-43.1177-176.8-173.366.6-157.9-10111.7V51 K52 A53 A57 F58 P59 V147 E223V51-R55 WeakPolarHBondContact O-CB 3.34Å; V51-R55 PolarHBondContact O-N 3Å; K52-R55 PolarHBondContact O-N 2.83Å; A53-R55 VanDerWaalsContact C-N 3.34Å; A53-R55 PolarHBondContact O-N 3.26Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 3.35Å; R55-F58 PolarHBondContact O-N 2.92Å; R55-P59 VanDerWaalsContact O-CD 3.29Å; R55-P59 WeakPolarHBondContact O-CD 3.14Å; R55-V147 HydrophobicContact CB-CG2 4.37Å; R55-E223 WeakPolarHBondContact CD-OE1 3.38Å; R55-E223 IonicContact CZ-OE1 3.76Å; R55-E223 IonicContact CZ-OE2 3.39Å; R55-E223 IonicContact NE-OE1 3.88Å; R55-E223 IonicContact NH1-OE1 2.78Å; R55-E223 PolarHBondContact NH1-OE1 2.86Å; R55-E223 IonicContact NH1-OE2 3.15Å; R55-E223 PolarHBondContact NH1-OE2 3.38Å
56E98.8Very high98.5Very high121 Ų12147.6 Ų47.657%0.56527%0.266SS*.Hα-helixtrans-66.1-35.8179.3-73172.9-176.500111.8K52 A53K52-E56 WeakPolarHBondContact CE-OE1 3.43Å; K52-E56 WeakPolarHBondContact CG-OE1 3.44Å; K52-E56 WeakPolarHBondContact O-CG 3.47Å; K52-E56 PolarHBondContact O-N 3.48Å; A53-E56 PolarHBondContact O-N 3.27Å
57A98.9Very high98.5Very high16 Ų1649.6 Ų49.613%0.13228%0.276CS..Hα-helixtrans-75.8-23.8176.200000114.1A53 R55 G60 W61 T174 P201 V203A53-A57 WeakPolarHBondContact O-CB 3.25Å; A53-A57 PolarHBondContact O-N 3.1Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 3.35Å; A57-G60 PolarHBondContact O-N 2.72Å; A57-W61 PolarHBondContact O-N 3.44Å; A57-T174 HydrophobicContact CB-CG2 4.21Å; A57-P201 WeakPolarHBondContact CB-O 3.26Å; A57-V203 HydrophobicContact CB-CG2 4.06Å
58F98.9Very high98.5Very high48 Ų4853.5 Ų53.521%0.21129%0.294CS..Hα-helixtrans-59-47-170.5177.2-101.5000114.7A54 R55 G60 W61 S62 P144 G146 G172 T174A54-F58 WeakPolarHBondContact O-CB 3.44Å; A54-F58 PolarHBondContact O-N 3.1Å; A54-F58 VanDerWaalsContact O-N 3.13Å; R55-F58 PolarHBondContact O-N 2.92Å; F58-G60 VanDerWaalsContact C-N 3.27Å; F58-G60 PolarHBondContact O-N 2.84Å; F58-W61 PolarHBondContact O-N 2.77Å; F58-S62 VanDerWaalsContact O-CB 3.28Å; F58-S62 WeakPolarHBondContact O-CB 3.47Å; F58-S62 PolarHBondContact O-N 3.28Å; F58-S62 PolarHBondContact O-OG 3.11Å; F58-P144 HydrophobicContact CE2-CB 4Å; F58-P144 HydrophobicContact CE2-CG 3.97Å; F58-P144 HydrophobicContact CZ-CB 4.23Å; F58-P144 HydrophobicContact CZ-CG 3.9Å; F58-G146 VanDerWaalsContact CE2-CA 3.47Å; F58-G172 WeakPolarHBondContact CE2-O 3.39Å; F58-T174 HydrophobicContact CB-CG2 3.92Å; F58-T174 HydrophobicContact CD2-CG2 4.24Å
59P98.6Very high98.5Very high82 Ų8250.4 Ų50.453%0.53228%0.278SS..Hα-helixtrans-59-37.8177.7-25.235000113.2R55 S63R55-P59 VanDerWaalsContact O-CD 3.29Å; R55-P59 WeakPolarHBondContact O-CD 3.14Å; P59-S63 WeakPolarHBondContact O-CB 3.26Å; P59-S63 PolarHBondContact O-N 3.02Å; P59-S63 PolarHBondContact O-OG 3.38Å
60G98.5Very high98.5Very high47 Ų4748.7 Ų48.749%0.48526%0.263SS..Hα-helixtrans-72.9-35.117900000113.4A57 F58 S63A57-G60 PolarHBondContact O-N 2.72Å; F58-G60 VanDerWaalsContact C-N 3.27Å; F58-G60 PolarHBondContact O-N 2.84Å; G60-S63 PolarHBondContact O-OG 3.13Å
61W98.7Very high98.5Very high1 Ų156.5 Ų56.50%0.00429%0.293CS..Hα-helixtrans-81.5-43.9179.8-177.9-114.6000113.3A57 F58 S63 R64 R69 V72 I169 N173 T174 P200 V203A57-W61 PolarHBondContact O-N 3.44Å; F58-W61 PolarHBondContact O-N 2.77Å; W61-S63 VanDerWaalsContact C-N 3.26Å; W61-S63 PolarHBondContact O-N 3.38Å; W61-R64 WeakPolarHBondContact O-CB 3.25Å; W61-R64 PolarHBondContact O-N 2.88Å; W61-R69 HydrophobicContact CD2-CG 4.44Å; W61-R69 VanDerWaalsContact CE2-CD 3.48Å; W61-R69 HydrophobicContact CH2-CB 3.97Å; W61-R69 HydrophobicContact CH2-CG 3.69Å; W61-R69 HydrophobicContact CZ2-CB 3.88Å; W61-R69 VanDerWaalsContact CZ2-CD 3.48Å; W61-R69 HydrophobicContact CZ2-CG 3.53Å; W61-R69 HydrophobicContact CZ3-CG 4.21Å; W61-V72 HydrophobicContact CH2-CB 4.12Å; W61-V72 HydrophobicContact CH2-CG1 4.22Å; W61-V72 HydrophobicContact CH2-CG2 4.26Å; W61-V72 HydrophobicContact CZ3-CG2 4.33Å; W61-I169 HydrophobicContact CZ2-CB 4.13Å; W61-I169 WeakPolarHBondContact CZ2-O 3.42Å; W61-I169 PolarHBondContact NE1-O 2.73Å; W61-N173 PolarHBondContact NE1-O 3.42Å; W61-T174 HydrophobicContact CB-CG2 4.4Å; W61-P200 HydrophobicContact CE3-CG 4.01Å; W61-P200 HydrophobicContact CZ3-CG 4.3Å; W61-V203 HydrophobicContact CB-CG2 3.72Å; W61-V203 HydrophobicContact CD2-CG1 3.85Å; W61-V203 HydrophobicContact CD2-CG2 4.08Å; W61-V203 HydrophobicContact CE3-CG1 4.45Å; W61-V203 HydrophobicContact CE3-CG2 4.27Å; W61-V203 HydrophobicContact CG-CG1 3.86Å; W61-V203 HydrophobicContact CG-CG2 3.83Å
62S98.2Very high98.5Very high33 Ų3357.2 Ų57.223%0.23130%0.297CS..Hα-helixtrans-65.5-28.3-178.959.10000113F58F58-S62 VanDerWaalsContact O-CB 3.28Å; F58-S62 WeakPolarHBondContact O-CB 3.47Å; F58-S62 PolarHBondContact O-N 3.28Å; F58-S62 PolarHBondContact O-OG 3.11Å
63S97.6Very high98.4Very high94 Ų9452.3 Ų52.366%0.65728%0.276SS*.THydrogen-bonded Turntrans-78.4-13.6176.956.20000114.5P59 G60 W61P59-S63 WeakPolarHBondContact O-CB 3.26Å; P59-S63 PolarHBondContact O-N 3.02Å; P59-S63 PolarHBondContact O-OG 3.38Å; G60-S63 PolarHBondContact O-OG 3.13Å; W61-S63 VanDerWaalsContact C-N 3.26Å; W61-S63 PolarHBondContact O-N 3.38Å
64R98.1Very high98.4Very high83 Ų8354.7 Ų54.731%0.31329%0.288SS..SBendtrans-62.7148.2173.4-68.4-171.6-179.5-168.4-3110.6W61 E68 R69 P200W61-R64 WeakPolarHBondContact O-CB 3.25Å; W61-R64 PolarHBondContact O-N 2.88Å; R64-E68 HydrophobicContact CB-CB 4.15Å; R64-R69 HydrophobicContact CB-CG 4.01Å; R64-R69 PolarHBondContact O-NH1 2.82Å; R64-P200 VanDerWaalsContact NH2-CG 3.33Å
65S97.2Very high98.4Very high39 Ų3958.6 Ų58.627%0.27331%0.306SS..  trans-65.8154.5171.162.60000111.3Q67 E68 R69S65-Q67 PolarHBondContact O-N 3.22Å; S65-E68 WeakPolarHBondContact CB-OE2 3.43Å; S65-E68 PolarHBondContact N-OE2 2.98Å; S65-E68 PolarHBondContact O-N 3.07Å; S65-E68 VanDerWaalsContact O-N 3.11Å; S65-E68 VanDerWaalsContact OG-CD 3.31Å; S65-E68 VanDerWaalsContact OG-CG 3.26Å; S65-E68 WeakPolarHBondContact OG-CG 3.28Å; S65-E68 PolarHBondContact OG-N 3Å; S65-E68 PolarHBondContact OG-OE2 2.95Å; S65-R69 PolarHBondContact O-N 2.83Å; S65-R69 VanDerWaalsContact O-N 3.13Å
66P96.8Very high98.4Very high48 Ų4854 Ų5431%0.31229%0.288SS..Hα-helixtrans-52.3-35.3170.2-27.636000112.9R69 S70 I121 L122P66-R69 PolarHBondContact O-N 2.87Å; P66-S70 VanDerWaalsContact O-CB 3.23Å; P66-S70 WeakPolarHBondContact O-CB 3.37Å; P66-S70 PolarHBondContact O-N 3.45Å; P66-I121 HydrophobicContact CB-CB 4.46Å; P66-I121 WeakPolarHBondContact O-CD1 3.5Å; P66-L122 HydrophobicContact CB-CD2 4.21Å
67Q98.4Very high98.5Very high93 Ų9348.2 Ų48.244%0.43526%0.261SS..Hα-helixtrans-64.7-43177.8-6874.114.900112.2S65 S70 R71 L122S65-Q67 PolarHBondContact O-N 3.22Å; Q67-S70 WeakPolarHBondContact O-CB 3.21Å; Q67-S70 PolarHBondContact O-N 2.93Å; Q67-R71 WeakPolarHBondContact O-CG 3.31Å; Q67-R71 PolarHBondContact O-N 2.83Å; Q67-R71 VanDerWaalsContact O-N 3.11Å; Q67-L122 HydrophobicContact CG-CD2 4.01Å
68E98.4Very high98.5Very high83 Ų8350.1 Ų50.139%0.38827%0.269SS..Hα-helixtrans-67-42.1177.6-72.9162.9130.200111.8R64 S65 R71 V72R64-E68 HydrophobicContact CB-CB 4.15Å; S65-E68 WeakPolarHBondContact CB-OE2 3.43Å; S65-E68 PolarHBondContact N-OE2 2.98Å; S65-E68 PolarHBondContact O-N 3.07Å; S65-E68 VanDerWaalsContact O-N 3.11Å; S65-E68 VanDerWaalsContact OG-CD 3.31Å; S65-E68 VanDerWaalsContact OG-CG 3.26Å; S65-E68 WeakPolarHBondContact OG-CG 3.28Å; S65-E68 PolarHBondContact OG-N 3Å; S65-E68 PolarHBondContact OG-OE2 2.95Å; E68-R71 PolarHBondContact O-N 2.78Å; E68-V72 PolarHBondContact O-N 3.19Å
69R98.6Very high98.5Very high21 Ų2148.9 Ų48.98%0.07927%0.265CS..Hα-helixtrans-64-43174.9-62.2-162.1-65-90.4-6.1111W61 R64 S65 P66 R71 V72 L73 I121 I169 A170W61-R69 HydrophobicContact CD2-CG 4.44Å; W61-R69 VanDerWaalsContact CE2-CD 3.48Å; W61-R69 HydrophobicContact CH2-CB 3.97Å; W61-R69 HydrophobicContact CH2-CG 3.69Å; W61-R69 HydrophobicContact CZ2-CB 3.88Å; W61-R69 VanDerWaalsContact CZ2-CD 3.48Å; W61-R69 HydrophobicContact CZ2-CG 3.53Å; W61-R69 HydrophobicContact CZ3-CG 4.21Å; R64-R69 HydrophobicContact CB-CG 4.01Å; R64-R69 PolarHBondContact O-NH1 2.82Å; S65-R69 PolarHBondContact O-N 2.83Å; S65-R69 VanDerWaalsContact O-N 3.13Å; P66-R69 PolarHBondContact O-N 2.87Å; R69-R71 VanDerWaalsContact C-N 3.32Å; R69-R71 PolarHBondContact O-N 2.8Å; R69-V72 PolarHBondContact O-N 3.15Å; R69-V72 VanDerWaalsContact O-N 3.11Å; R69-L73 HydrophobicContact CB-CD1 4.42Å; R69-L73 WeakPolarHBondContact O-CD1 3.44Å; R69-L73 PolarHBondContact O-N 2.94Å; R69-I121 HydrophobicContact CB-CD1 4.15Å; R69-I169 WeakPolarHBondContact CD-O 3.37Å; R69-A170 PolarHBondContact NE-O 3.28Å; R69-A170 PolarHBondContact NH2-O 2.82Å
70S98.7Very high98.5Very high7 Ų745 Ų455%0.04924%0.24CC..Hα-helixtrans-54.1-45.7176.8-179.80000112.4P66 Q67 V72 L73 N74 A118P66-S70 VanDerWaalsContact O-CB 3.23Å; P66-S70 WeakPolarHBondContact O-CB 3.37Å; P66-S70 PolarHBondContact O-N 3.45Å; Q67-S70 WeakPolarHBondContact O-CB 3.21Å; Q67-S70 PolarHBondContact O-N 2.93Å; S70-V72 VanDerWaalsContact C-N 3.35Å; S70-V72 PolarHBondContact O-N 2.98Å; S70-L73 PolarHBondContact O-N 3.36Å; S70-N74 PolarHBondContact O-N 3.34Å; S70-N74 PolarHBondContact O-ND2 2.91Å; S70-A118 VanDerWaalsContact CB-O 3.24Å; S70-A118 WeakPolarHBondContact CB-O 3.07Å; S70-A118 PolarHBondContact OG-O 3.36Å
71R98.8Very high98.5Very high165 Ų16547.1 Ų47.162%0.62324%0.237SC*.Hα-helixtrans-59.3-44.3177.4-69.8176.5-158.2130.12.4112.2Q67 E68 R69 N74 Q75Q67-R71 WeakPolarHBondContact O-CG 3.31Å; Q67-R71 PolarHBondContact O-N 2.83Å; Q67-R71 VanDerWaalsContact O-N 3.11Å; E68-R71 PolarHBondContact O-N 2.78Å; R69-R71 VanDerWaalsContact C-N 3.32Å; R69-R71 PolarHBondContact O-N 2.8Å; R71-N74 PolarHBondContact O-N 3.44Å; R71-Q75 PolarHBondContact O-N 3.47Å
72V98.8Very high98.5Very high14 Ų1454 Ų549%0.08527%0.269CS..Hα-helixtrans-63.4-46.1177.7176.40000110.9W61 E68 R69 S70 N74 Q75 V76 V199W61-V72 HydrophobicContact CH2-CB 4.12Å; W61-V72 HydrophobicContact CH2-CG1 4.22Å; W61-V72 HydrophobicContact CH2-CG2 4.26Å; W61-V72 HydrophobicContact CZ3-CG2 4.33Å; E68-V72 PolarHBondContact O-N 3.19Å; R69-V72 PolarHBondContact O-N 3.15Å; R69-V72 VanDerWaalsContact O-N 3.11Å; S70-V72 VanDerWaalsContact C-N 3.35Å; S70-V72 PolarHBondContact O-N 2.98Å; V72-N74 VanDerWaalsContact C-N 3.35Å; V72-N74 PolarHBondContact O-N 3.01Å; V72-Q75 WeakPolarHBondContact O-CB 3.32Å; V72-Q75 PolarHBondContact O-N 3.37Å; V72-V76 WeakPolarHBondContact O-CG2 3.23Å; V72-V76 PolarHBondContact O-N 3.35Å; V72-V199 HydrophobicContact CG1-CB 4.48Å; V72-V199 HydrophobicContact CG1-CG2 3.59Å
73L98.8Very high98.5Very high0 Ų053.8 Ų53.80%027%0.268CS..Hα-helixtrans-62.1-41178.1-82.886.9000112.4R69 S70 Q75 V76 A77 F114 F117 A118 A166 I169 A170R69-L73 HydrophobicContact CB-CD1 4.42Å; R69-L73 WeakPolarHBondContact O-CD1 3.44Å; R69-L73 PolarHBondContact O-N 2.94Å; S70-L73 PolarHBondContact O-N 3.36Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-V76 PolarHBondContact O-N 3.48Å; L73-A77 PolarHBondContact O-N 2.84Å; L73-F114 HydrophobicContact CD2-CD1 4.27Å; L73-F114 HydrophobicContact CG-CD1 4.26Å; L73-F117 HydrophobicContact CD2-CB 4.07Å; L73-A118 HydrophobicContact CB-CB 3.63Å; L73-A166 HydrophobicContact CD2-CB 4.45Å; L73-I169 HydrophobicContact CD1-CD1 4.2Å; L73-I169 HydrophobicContact CD1-CG1 4.04Å; L73-I169 HydrophobicContact CD2-CG1 4.44Å; L73-I169 HydrophobicContact CG-CD1 4.22Å; L73-I169 HydrophobicContact CG-CG1 4.28Å; L73-A170 HydrophobicContact CD1-CB 4.34Å; L73-A170 HydrophobicContact CD2-CB 3.72Å
74N98.9Very high98.5Very high56 Ų5651.2 Ų51.230%0.29925%0.246SC..Hα-helixtrans-62.6-41.1174.7-77.3-43.8000111.4S70 R71 V72 V76 A77 D78 A118S70-N74 PolarHBondContact O-N 3.34Å; S70-N74 PolarHBondContact O-ND2 2.91Å; R71-N74 PolarHBondContact O-N 3.44Å; V72-N74 VanDerWaalsContact C-N 3.35Å; V72-N74 PolarHBondContact O-N 3.01Å; N74-V76 PolarHBondContact O-N 2.81Å; N74-A77 WeakPolarHBondContact O-CB 3.34Å; N74-A77 PolarHBondContact O-N 2.92Å; N74-A77 VanDerWaalsContact O-N 3.11Å; N74-D78 PolarHBondContact O-N 2.92Å; N74-A118 WeakPolarHBondContact OD1-CB 3.43Å
75Q98.9Very high98.6Very high82 Ų8250.8 Ų50.838%0.38325%0.248SC..Hα-helixtrans-62.4-40.4176.2-172.564.136.200112.4R71 V72 L73 A77 D78 L79 A197R71-Q75 PolarHBondContact O-N 3.47Å; V72-Q75 WeakPolarHBondContact O-CB 3.32Å; V72-Q75 PolarHBondContact O-N 3.37Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; Q75-A77 VanDerWaalsContact C-N 3.31Å; Q75-A77 PolarHBondContact O-N 3.18Å; Q75-D78 PolarHBondContact O-N 2.72Å; Q75-L79 HydrophobicContact CG-CD1 4.3Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 VanDerWaalsContact O-CG 3.31Å; Q75-L79 WeakPolarHBondContact O-CG 3.37Å; Q75-L79 PolarHBondContact O-N 2.95Å; Q75-L79 VanDerWaalsContact O-N 3.08Å; Q75-A197 HydrophobicContact CB-CB 4.09Å; Q75-A197 HydrophobicContact CG-CB 3.83Å
76V98.9Very high98.6Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-60.4-44.4172.7176.70000110.3V72 L73 N74 L79 L80 F114 L190 L194 A197 V199V72-V76 WeakPolarHBondContact O-CG2 3.23Å; V72-V76 PolarHBondContact O-N 3.35Å; L73-V76 PolarHBondContact O-N 3.48Å; N74-V76 PolarHBondContact O-N 2.81Å; V76-L79 PolarHBondContact O-N 2.88Å; V76-L80 WeakPolarHBondContact O-CB 3.15Å; V76-L80 PolarHBondContact O-N 3.41Å; V76-F114 HydrophobicContact CB-CD1 4.37Å; V76-F114 HydrophobicContact CB-CG 4.45Å; V76-F114 HydrophobicContact CG1-CD1 4.13Å; V76-F114 HydrophobicContact CG1-CD2 3.85Å; V76-F114 HydrophobicContact CG1-CE1 3.97Å; V76-F114 HydrophobicContact CG1-CE2 3.65Å; V76-F114 HydrophobicContact CG1-CG 4.08Å; V76-F114 HydrophobicContact CG1-CZ 3.73Å; V76-L190 HydrophobicContact CG1-CD1 4.32Å; V76-L194 HydrophobicContact CG1-CD2 4.28Å; V76-L194 HydrophobicContact CG2-CD2 4.09Å; V76-A197 HydrophobicContact CB-CB 4.25Å; V76-A197 HydrophobicContact CG2-CB 3.36Å; V76-V199 HydrophobicContact CG2-CG2 4.09Å
77A98.9Very high98.7Very high0 Ų052.9 Ų52.90%025%0.249CC..Hα-helixtrans-63.8-43.1-179.300000112.5L73 N74 Q75 L80 E81 V111 F114 R115L73-A77 PolarHBondContact O-N 2.84Å; N74-A77 WeakPolarHBondContact O-CB 3.34Å; N74-A77 PolarHBondContact O-N 2.92Å; N74-A77 VanDerWaalsContact O-N 3.11Å; Q75-A77 VanDerWaalsContact C-N 3.31Å; Q75-A77 PolarHBondContact O-N 3.18Å; A77-L80 PolarHBondContact O-N 3.38Å; A77-E81 WeakPolarHBondContact O-CB 3.39Å; A77-E81 PolarHBondContact O-N 2.79Å; A77-V111 HydrophobicContact CB-CG1 4.19Å; A77-F114 HydrophobicContact CB-CB 3.78Å; A77-R115 HydrophobicContact CB-CG 3.56Å
78D98.9Very high98.7Very high56 Ų5648.4 Ų48.430%0.29923%0.228SC..Hα-helixtrans-65.8-41.6179.3-68.5-18.6000111.5N74 Q75 E81 Q82 R115N74-D78 PolarHBondContact O-N 2.92Å; Q75-D78 PolarHBondContact O-N 2.72Å; D78-E81 PolarHBondContact O-N 2.86Å; D78-Q82 WeakPolarHBondContact O-CG 3.23Å; D78-Q82 PolarHBondContact O-N 2.89Å; D78-Q82 PolarHBondContact O-NE2 2.79Å; D78-R115 IonicContact OD1-CZ 3.95Å; D78-R115 IonicContact OD1-NE 2.9Å; D78-R115 IonicContact OD1-NH2 2.67Å; D78-R115 PolarHBondContact OD1-NH2 3.12Å
79L98.9Very high98.8Very high23 Ų2349.5 Ų49.512%0.1223%0.233CC..Hα-helixtrans-65-40174.8-72172.5000112Q75 V76 Q82 S83 L193 K196 A197Q75-L79 HydrophobicContact CG-CD1 4.3Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 VanDerWaalsContact O-CG 3.31Å; Q75-L79 WeakPolarHBondContact O-CG 3.37Å; Q75-L79 PolarHBondContact O-N 2.95Å; Q75-L79 VanDerWaalsContact O-N 3.08Å; V76-L79 PolarHBondContact O-N 2.88Å; L79-Q82 PolarHBondContact O-N 2.85Å; L79-S83 PolarHBondContact O-N 2.87Å; L79-S83 PolarHBondContact O-OG 2.74Å; L79-L193 HydrophobicContact CB-CB 4.42Å; L79-L193 HydrophobicContact CB-CD1 4.42Å; L79-L193 HydrophobicContact CB-CD2 4.23Å; L79-K196 HydrophobicContact CD1-CB 3.76Å; L79-A197 HydrophobicContact CD1-CB 4Å
80L98.8Very high98.7Very high0 Ų048.9 Ų48.90%023%0.233CC..Hα-helixtrans-67.9-37.5177.5-178.659.9000111.9V76 A77 S83 L84 F87 I107 V111 L158 L193V76-L80 WeakPolarHBondContact O-CB 3.15Å; V76-L80 PolarHBondContact O-N 3.41Å; A77-L80 PolarHBondContact O-N 3.38Å; L80-S83 CarbonylContact O-C 3.59Å; L80-S83 PolarHBondContact O-N 3.38Å; L80-L84 PolarHBondContact O-N 3.29Å; L80-L84 VanDerWaalsContact O-N 3.13Å; L80-F87 HydrophobicContact CD1-CD1 3.83Å; L80-F87 HydrophobicContact CD1-CD2 3.88Å; L80-F87 HydrophobicContact CD1-CE1 3.84Å; L80-F87 HydrophobicContact CD1-CE2 3.93Å; L80-F87 HydrophobicContact CD1-CG 3.82Å; L80-F87 HydrophobicContact CD1-CZ 3.89Å; L80-I107 HydrophobicContact CD1-CG2 4.34Å; L80-I107 HydrophobicContact CG-CG2 4.48Å; L80-V111 HydrophobicContact CB-CG2 4.04Å; L80-V111 HydrophobicContact CD2-CG2 3.91Å; L80-V111 HydrophobicContact CG-CG2 3.71Å; L80-L158 HydrophobicContact CD1-CD2 3.97Å; L80-L158 HydrophobicContact CD2-CD2 4.23Å; L80-L193 HydrophobicContact CB-CD1 3.94Å; L80-L193 HydrophobicContact CD1-CD1 3.94Å
81E98.8Very high98.7Very high91 Ų9148.5 Ų48.543%0.42523%0.23SC..Hα-helixtrans-65.1-40.3174.4-171.7172.5-109.400111.6A77 D78 S83 L84 V111 R115A77-E81 WeakPolarHBondContact O-CB 3.39Å; A77-E81 PolarHBondContact O-N 2.79Å; D78-E81 PolarHBondContact O-N 2.86Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.05Å; E81-L84 VanDerWaalsContact O-CB 3.24Å; E81-L84 WeakPolarHBondContact O-CB 3.28Å; E81-L84 PolarHBondContact O-N 3.08Å; E81-V111 HydrophobicContact CB-CG1 4.15Å; E81-V111 HydrophobicContact CB-CG2 4.08Å; E81-R115 VanDerWaalsContact CD-NH2 3.33Å; E81-R115 IonicContact OE1-CZ 3.4Å; E81-R115 IonicContact OE1-NH1 3.59Å; E81-R115 PolarHBondContact OE1-NH1 2.79Å; E81-R115 IonicContact OE1-NH2 3.09Å; E81-R115 PolarHBondContact OE1-NH2 3.22Å; E81-R115 IonicContact OE2-CZ 2.78Å; E81-R115 IonicContact OE2-NH1 3.77Å; E81-R115 PolarHBondContact OE2-NH1 2.77Å; E81-R115 IonicContact OE2-NH2 3.85Å; E81-R115 PolarHBondContact OE2-NH2 2.98Å
82Q98.8Very high98.7Very high145 Ų14541 Ų4168%0.67820%0.203SC*.Hα-helixtrans-64.6-33.8175.3-71.4164.43100112.6D78 L79D78-Q82 WeakPolarHBondContact O-CG 3.23Å; D78-Q82 PolarHBondContact O-N 2.89Å; D78-Q82 PolarHBondContact O-NE2 2.79Å; L79-Q82 PolarHBondContact O-N 2.85Å
83S98.6Very high98.7Very high29 Ų2944 Ų4420%0.20322%0.215CC..THydrogen-bonded Turntrans-93.212.5178.2-65.60000113.9L79 L80 E81 E85 E86 F87L79-S83 PolarHBondContact O-N 2.87Å; L79-S83 PolarHBondContact O-OG 2.74Å; L80-S83 CarbonylContact O-C 3.59Å; L80-S83 PolarHBondContact O-N 3.38Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.05Å; S83-E85 VanDerWaalsContact C-N 3.3Å; S83-E85 PolarHBondContact O-N 3.43Å; S83-E85 VanDerWaalsContact O-N 3.15Å; S83-E86 PolarHBondContact O-N 3.16Å; S83-E86 VanDerWaalsContact O-N 3.12Å; S83-F87 WeakPolarHBondContact O-CD2 3.39Å; S83-F87 PolarHBondContact O-N 3.03Å; S83-F87 VanDerWaalsContact O-N 3.14Å
84L98.6Very high98.6Very high40 Ų4044.1 Ų44.121%0.20922%0.215CC..Hα-helixtrans-52.6-44.5-168.9-179.8155.4000113.7L80 E81 F87 A88 R103 I107 P108L80-L84 PolarHBondContact O-N 3.29Å; L80-L84 VanDerWaalsContact O-N 3.13Å; E81-L84 VanDerWaalsContact O-CB 3.24Å; E81-L84 WeakPolarHBondContact O-CB 3.28Å; E81-L84 PolarHBondContact O-N 3.08Å; L84-F87 PolarHBondContact O-N 2.8Å; L84-A88 VanDerWaalsContact O-CB 3.32Å; L84-A88 WeakPolarHBondContact O-CB 3.13Å; L84-A88 PolarHBondContact O-N 3.33Å; L84-R103 HydrophobicContact CD2-CG 3.77Å; L84-I107 HydrophobicContact CB-CG2 4.18Å; L84-I107 HydrophobicContact CD1-CG2 4.4Å; L84-I107 HydrophobicContact CG-CB 4.17Å; L84-I107 HydrophobicContact CG-CG2 3.78Å; L84-P108 HydrophobicContact CD1-CG 4.14Å
85E98.5Very high98.6Very high74 Ų7441.4 Ų41.435%0.34620%0.201SC..Hα-helixtrans-67-40.9-176.6-176.558.3-15300112.2S83 A88 Q89 R103S83-E85 VanDerWaalsContact C-N 3.3Å; S83-E85 PolarHBondContact O-N 3.43Å; S83-E85 VanDerWaalsContact O-N 3.15Å; E85-A88 PolarHBondContact O-N 3.3Å; E85-Q89 WeakPolarHBondContact O-CG 3.45Å; E85-Q89 PolarHBondContact O-N 3.01Å; E85-Q89 PolarHBondContact OE1-NE2 3.3Å; E85-R103 IonicContact OE1-CZ 2.66Å; E85-R103 IonicContact OE1-NE 3.5Å; E85-R103 IonicContact OE1-NH2 2.92Å; E85-R103 PolarHBondContact OE1-NH2 2.93Å; E85-R103 IonicContact OE2-CZ 2.75Å; E85-R103 IonicContact OE2-NE 3.84Å; E85-R103 PolarHBondContact OE2-NE 3.22Å; E85-R103 IonicContact OE2-NH2 2.71Å; E85-R103 PolarHBondContact OE2-NH2 3.41Å; E85-R103 VanDerWaalsContact OE2-NH2 3.15Å
86E98.6Very high98.6Very high128 Ų12837.5 Ų37.560%0.59818%0.183SC*.Hα-helixtrans-63.9-44.3177.5-63.9179.8173.300110.9S83 Q89 A90 M189S83-E86 PolarHBondContact O-N 3.16Å; S83-E86 VanDerWaalsContact O-N 3.12Å; E86-Q89 PolarHBondContact O-N 2.89Å; E86-A90 PolarHBondContact O-N 2.8Å; E86-M189 HydrophobicContact CB-CE 4.1Å
87F98.8Very high98.5Very high3 Ų337.5 Ų37.51%0.01318%0.183CC..Hα-helixtrans-65.9-39.5176.1-84.7-98.8000112.2L80 S83 L84 Q89 A90 E91 I107 L158 T186 M189 L190 L193L80-F87 HydrophobicContact CD1-CD1 3.83Å; L80-F87 HydrophobicContact CD1-CD2 3.88Å; L80-F87 HydrophobicContact CD1-CE1 3.84Å; L80-F87 HydrophobicContact CD1-CE2 3.93Å; L80-F87 HydrophobicContact CD1-CG 3.82Å; L80-F87 HydrophobicContact CD1-CZ 3.89Å; S83-F87 WeakPolarHBondContact O-CD2 3.39Å; S83-F87 PolarHBondContact O-N 3.03Å; S83-F87 VanDerWaalsContact O-N 3.14Å; L84-F87 PolarHBondContact O-N 2.8Å; F87-Q89 VanDerWaalsContact C-N 3.34Å; F87-Q89 PolarHBondContact O-N 3.47Å; F87-A90 PolarHBondContact O-N 3.43Å; F87-E91 VanDerWaalsContact O-CB 3.26Å; F87-E91 WeakPolarHBondContact O-CB 3.2Å; F87-E91 PolarHBondContact O-N 2.97Å; F87-I107 HydrophobicContact CB-CD1 3.79Å; F87-I107 HydrophobicContact CB-CG1 4.06Å; F87-I107 HydrophobicContact CB-CG2 4.15Å; F87-L158 HydrophobicContact CD1-CD2 3.62Å; F87-L158 HydrophobicContact CE1-CD1 4.49Å; F87-L158 HydrophobicContact CE1-CD2 4.05Å; F87-T186 HydrophobicContact CD1-CG2 4.11Å; F87-T186 WeakPolarHBondContact CE1-O 3.3Å; F87-M189 HydrophobicContact CD1-CB 4.32Å; F87-M189 HydrophobicContact CD1-CE 4.35Å; F87-M189 HydrophobicContact CD2-CE 3.74Å; F87-M189 HydrophobicContact CE1-CB 3.58Å; F87-M189 HydrophobicContact CE2-CB 4.14Å; F87-M189 HydrophobicContact CE2-CE 3.9Å; F87-M189 HydrophobicContact CG-CE 4Å; F87-M189 HydrophobicContact CZ-CB 3.48Å; F87-M189 VanDerWaalsContact CZ-CB 3.48Å; F87-M189 HydrophobicContact CZ-CE 4.32Å; F87-L190 HydrophobicContact CE1-CB 4.35Å; F87-L193 HydrophobicContact CE2-CD1 3.59Å; F87-L193 HydrophobicContact CE2-CG 4.22Å; F87-L193 HydrophobicContact CZ-CD1 3.57Å; F87-L193 HydrophobicContact CZ-CG 4.07Å
88A98.8Very high98.5Very high0 Ų037.8 Ų37.80%019%0.185CC..Hα-helixtrans-64.6-39.4178.700000111.8L84 E85 S92 L99 A102 R103 I107L84-A88 VanDerWaalsContact O-CB 3.32Å; L84-A88 WeakPolarHBondContact O-CB 3.13Å; L84-A88 PolarHBondContact O-N 3.33Å; E85-A88 PolarHBondContact O-N 3.3Å; A88-S92 WeakPolarHBondContact O-CB 3.26Å; A88-S92 PolarHBondContact O-N 2.92Å; A88-L99 HydrophobicContact CB-CD1 3.94Å; A88-L99 WeakPolarHBondContact O-CD1 3.43Å; A88-A102 HydrophobicContact CB-CB 4.25Å; A88-R103 HydrophobicContact CB-CB 4.02Å; A88-I107 HydrophobicContact CB-CG1 4.08Å
89Q98.6Very high98.5Very high105 Ų10536.6 Ų36.649%0.49118%0.178SC..Hα-helixtrans-65.2-44.9174.7-70.5177.422.200112E85 E86 F87 K93 L99E85-Q89 WeakPolarHBondContact O-CG 3.45Å; E85-Q89 PolarHBondContact O-N 3.01Å; E85-Q89 PolarHBondContact OE1-NE2 3.3Å; E86-Q89 PolarHBondContact O-N 2.89Å; F87-Q89 VanDerWaalsContact C-N 3.34Å; F87-Q89 PolarHBondContact O-N 3.47Å; Q89-K93 VanDerWaalsContact O-CB 3.29Å; Q89-K93 WeakPolarHBondContact O-CB 3.47Å; Q89-K93 PolarHBondContact O-N 2.74Å; Q89-L99 HydrophobicContact CB-CD1 4.48Å; Q89-L99 HydrophobicContact CG-CD1 3.91Å; Q89-L99 HydrophobicContact CG-CD2 4.36Å
90A98.5Very high98.4Very high8 Ų837.3 Ų37.37%0.06619%0.187CC..Hα-helixtrans-64.1-47.4176.900000112E86 F87 S92 K93 D94 V185 T186 M189E86-A90 PolarHBondContact O-N 2.8Å; F87-A90 PolarHBondContact O-N 3.43Å; A90-S92 PolarHBondContact O-N 3.23Å; A90-K93 PolarHBondContact O-N 3.42Å; A90-D94 VanDerWaalsContact O-CB 3.29Å; A90-D94 WeakPolarHBondContact O-CB 3.35Å; A90-D94 PolarHBondContact O-N 3.39Å; A90-V185 HydrophobicContact CB-CG1 3.96Å; A90-T186 HydrophobicContact CB-CG2 3.79Å; A90-M189 HydrophobicContact CB-CE 4.36Å; A90-M189 HydrophobicContact CB-SD 3.49Å; A90-M189 WeakPolarHBondContact CB-SD 3.38Å
91E98.6Very high98.4Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-59.1-46.4179-169.584.3165.400111.5F87 Q95 K97 A102 I107 P157 L158 T186F87-E91 VanDerWaalsContact O-CB 3.26Å; F87-E91 WeakPolarHBondContact O-CB 3.2Å; F87-E91 PolarHBondContact O-N 2.97Å; E91-Q95 VanDerWaalsContact O-CB 3.27Å; E91-Q95 WeakPolarHBondContact O-CB 3.35Å; E91-Q95 PolarHBondContact O-N 2.97Å; E91-K97 HydrophobicContact CG-CD 4.27Å; E91-K97 IonicContact OE1-NZ 2.73Å; E91-A102 HydrophobicContact CB-CB 4.18Å; E91-A102 HydrophobicContact CG-CB 4.31Å; E91-I107 HydrophobicContact CB-CD1 4.28Å; E91-P157 WeakPolarHBondContact OE1-CB 3.08Å; E91-P157 WeakPolarHBondContact OE1-CD 2.84Å; E91-P157 WeakPolarHBondContact OE1-CG 3.22Å; E91-L158 PolarHBondContact OE1-N 3.04Å; E91-L158 VanDerWaalsContact OE1-N 3.11Å; E91-T186 HydrophobicContact CB-CG2 3.88Å; E91-T186 VanDerWaalsContact OE2-CB 3.28Å; E91-T186 WeakPolarHBondContact OE2-CB 3.31Å; E91-T186 WeakPolarHBondContact OE2-CG2 3.28Å; E91-T186 PolarHBondContact OE2-OG1 2.84Å
92S98.6Very high98.3Very high6 Ų634.4 Ų34.44%0.04218%0.175CC..Hα-helixtrans-62.9-43.3179.1174.70000111.8A88 A90 G96 K97 L99 P319A88-S92 WeakPolarHBondContact O-CB 3.26Å; A88-S92 PolarHBondContact O-N 2.92Å; A90-S92 PolarHBondContact O-N 3.23Å; S92-G96 WeakPolarHBondContact O-CA 3.49Å; S92-G96 PolarHBondContact O-N 3.42Å; S92-K97 WeakPolarHBondContact CB-O 3.36Å; S92-K97 PolarHBondContact OG-O 2.81Å; S92-L99 PolarHBondContact OG-N 3.13Å; S92-P319 WeakPolarHBondContact OG-CB 3.3Å
93K98Very high98.3Very high78 Ų7831.4 Ų31.434%0.33916%0.157SC..Hα-helixtrans-71.4-42.2-178.5-173.1174.5179.2-168.10113D29 P30 Y36 Q89 A90D29-K93 HydrophobicContact CB-CG 4.49Å; D29-K93 WeakPolarHBondContact OD2-CE 3.5Å; D29-K93 WeakPolarHBondContact OD2-CG 3.42Å; P30-K93 VanDerWaalsContact CD-O 3.24Å; P30-K93 WeakPolarHBondContact CD-O 3.3Å; Y36-K93 HydrophobicContact CD1-CD 4.34Å; Y36-K93 HydrophobicContact CD1-CG 4.15Å; Y36-K93 HydrophobicContact CD2-CD 3.99Å; Y36-K93 VanDerWaalsContact CD2-CE 3.45Å; Y36-K93 HydrophobicContact CE1-CB 4.29Å; Y36-K93 HydrophobicContact CE1-CD 4.04Å; Y36-K93 HydrophobicContact CE1-CG 4.02Å; Y36-K93 HydrophobicContact CE2-CD 3.72Å; Y36-K93 VanDerWaalsContact CE2-NZ 3.3Å; Y36-K93 HydrophobicContact CG-CD 4.32Å; Y36-K93 HydrophobicContact CG-CG 4.43Å; Q89-K93 VanDerWaalsContact O-CB 3.29Å; Q89-K93 WeakPolarHBondContact O-CB 3.47Å; Q89-K93 PolarHBondContact O-N 2.74Å; A90-K93 PolarHBondContact O-N 3.42Å
94D97.2Very high98.2Very high2 Ų235 Ų351%0.01118%0.178CC..Hα-helixtrans-73.6-35.8-177.4-151.227000111.1S27 Y36 A90 T183 S184 V185S27-D94 PolarHBondContact OG-OD1 2.98Å; Y36-D94 HydrophobicContact CD1-CB 4.27Å; Y36-D94 HydrophobicContact CE1-CB 4.07Å; A90-D94 VanDerWaalsContact O-CB 3.29Å; A90-D94 WeakPolarHBondContact O-CB 3.35Å; A90-D94 PolarHBondContact O-N 3.39Å; D94-T183 WeakPolarHBondContact OD2-CA 3.24Å; D94-S184 PolarHBondContact OD2-N 3.13Å; D94-V185 HydrophobicContact CB-CB 4.41Å; D94-V185 HydrophobicContact CB-CG2 4.42Å; D94-V185 WeakPolarHBondContact OD2-CB 3.47Å; D94-V185 WeakPolarHBondContact OD2-CG2 3.38Å; D94-V185 PolarHBondContact OD2-N 3.2Å
95Q98.4Very high98.1Very high0 Ų035.1 Ų35.10%018%0.178CC..Hα-helixtrans-94.7-30.7-177.1-163.9-77.8-35.400114.5E91 K97 W154 P157 T183 N282 E285 I330E91-Q95 VanDerWaalsContact O-CB 3.27Å; E91-Q95 WeakPolarHBondContact O-CB 3.35Å; E91-Q95 PolarHBondContact O-N 2.97Å; Q95-K97 VanDerWaalsContact CD-CE 3.46Å; Q95-W154 WeakPolarHBondContact CG-O 3.37Å; Q95-P157 HydrophobicContact CB-CG 4.32Å; Q95-P157 HydrophobicContact CG-CG 4.29Å; Q95-T183 HydrophobicContact CB-CG2 3.89Å; Q95-T183 HydrophobicContact CG-CG2 4Å; Q95-N282 PolarHBondContact OE1-OD1 3.45Å; Q95-E285 PolarHBondContact NE2-OE2 2.99Å; Q95-I330 HydrophobicContact CG-CD1 4.21Å; Q95-I330 WeakPolarHBondContact O-CD1 3.36Å
96G97.9Very high97.9Very high0 Ų031.6 Ų31.60%016%0.162CC..  trans99.4-10.8-177.400000115.5S92 G327 A328S92-G96 WeakPolarHBondContact O-CA 3.49Å; S92-G96 PolarHBondContact O-N 3.42Å; G96-G327 CarbonylContact O-C 3.57Å; G96-G327 WeakPolarHBondContact O-CA 3.31Å; G96-A328 CarbonylContact C-O 3.52Å; G96-A328 PolarHBondContact O-N 3.27Å
97K98.3Very high97.9Very high0 Ų025.5 Ų25.50%013%0.133CC..  trans-62.4160.5171.865.5-168.867.6166.50112.9E91 S92 Q95 L101 A102 D106 N155 N282 P319E91-K97 HydrophobicContact CG-CD 4.27Å; E91-K97 IonicContact OE1-NZ 2.73Å; S92-K97 WeakPolarHBondContact CB-O 3.36Å; S92-K97 PolarHBondContact OG-O 2.81Å; Q95-K97 VanDerWaalsContact CD-CE 3.46Å; K97-L101 HydrophobicContact CB-CD2 4.36Å; K97-A102 HydrophobicContact CD-CB 4.15Å; K97-A102 HydrophobicContact CG-CB 4.41Å; K97-D106 VanDerWaalsContact CD-OD2 3.31Å; K97-D106 WeakPolarHBondContact CD-OD2 3.15Å; K97-D106 WeakPolarHBondContact CE-OD2 3.35Å; K97-D106 IonicContact NZ-OD2 2.9Å; K97-D106 PolarHBondContact NZ-OD2 3.41Å; K97-N155 PolarHBondContact NZ-O 3.12Å; K97-N282 WeakPolarHBondContact CB-OD1 3.35Å; K97-N282 VanDerWaalsContact CE-OD1 3.24Å; K97-N282 WeakPolarHBondContact CE-OD1 3.26Å; K97-P319 WeakPolarHBondContact O-CB 3.4Å
98T98.4Very high97.9Very high6 Ų627.5 Ų27.54%0.03715%0.146CC..  trans-63.9145.4175.469.30000111.9A100 L101 A102 A324T98-A100 PolarHBondContact O-N 3.49Å; T98-L101 PolarHBondContact O-N 2.96Å; T98-L101 VanDerWaalsContact O-N 3.14Å; T98-L101 WeakPolarHBondContact OG1-CB 3.37Å; T98-L101 PolarHBondContact OG1-N 2.79Å; T98-A102 PolarHBondContact O-N 2.77Å; T98-A102 VanDerWaalsContact O-N 3.15Å; T98-A324 HydrophobicContact CG2-CB 4.1Å
99L98.5Very high97.8Very high30 Ų3029.1 Ų29.116%0.15715%0.152CC..Hα-helixtrans-61.5-34.5176.4177.756.9000111.4A88 Q89 S92 R103 P319A88-L99 HydrophobicContact CB-CD1 3.94Å; A88-L99 WeakPolarHBondContact O-CD1 3.43Å; Q89-L99 HydrophobicContact CB-CD1 4.48Å; Q89-L99 HydrophobicContact CG-CD1 3.91Å; Q89-L99 HydrophobicContact CG-CD2 4.36Å; S92-L99 PolarHBondContact OG-N 3.13Å; L99-R103 VanDerWaalsContact CG-NH2 3.31Å; L99-R103 WeakPolarHBondContact O-CB 3.22Å; L99-R103 PolarHBondContact O-N 3.43Å; L99-P319 PolarHBondContact N-O 3.29Å
100A97.9Very high97.8Very high39 Ų3924.1 Ų24.132%0.32213%0.129SC..Hα-helixtrans-57.8-49.1173.800000111.4T98 R103 T104T98-A100 PolarHBondContact O-N 3.49Å; A100-R103 PolarHBondContact O-N 2.87Å; A100-T104 WeakPolarHBondContact O-CG2 3.23Å; A100-T104 PolarHBondContact O-N 3.13Å; A100-T104 PolarHBondContact O-OG1 3.06Å
101L97.1Very high97.8Very high30 Ų3024 Ų2416%0.15713%0.127CC..Hα-helixtrans-63.1-46.8-179.5-173.963.4000111.9K97 T98 R103 T104 M105 N282K97-L101 HydrophobicContact CB-CD2 4.36Å; T98-L101 PolarHBondContact O-N 2.96Å; T98-L101 VanDerWaalsContact O-N 3.14Å; T98-L101 WeakPolarHBondContact OG1-CB 3.37Å; T98-L101 PolarHBondContact OG1-N 2.79Å; L101-R103 VanDerWaalsContact C-N 3.31Å; L101-R103 PolarHBondContact O-N 3.35Å; L101-T104 PolarHBondContact O-N 3.45Å; L101-M105 HydrophobicContact CD1-CB 4.12Å; L101-M105 HydrophobicContact CD1-CE 3.57Å; L101-M105 HydrophobicContact CD1-SD 4.02Å; L101-M105 HydrophobicContact CD2-CE 4.28Å; L101-M105 HydrophobicContact CG-CE 3.94Å; L101-M105 WeakPolarHBondContact O-CB 3.39Å; L101-M105 PolarHBondContact O-N 3.27Å; L101-N282 HydrophobicContact CD2-CB 3.86Å
102A98.3Very high97.7Very high0 Ų028 Ų280%015%0.146CC..Iπ-helixtrans-58-44.717700000111.6A88 E91 K97 T98 D106 I107A88-A102 HydrophobicContact CB-CB 4.25Å; E91-A102 HydrophobicContact CB-CB 4.18Å; E91-A102 HydrophobicContact CG-CB 4.31Å; K97-A102 HydrophobicContact CD-CB 4.15Å; K97-A102 HydrophobicContact CG-CB 4.41Å; T98-A102 PolarHBondContact O-N 2.77Å; T98-A102 VanDerWaalsContact O-N 3.15Å; A102-D106 PolarHBondContact O-N 2.82Å; A102-I107 PolarHBondContact O-N 3.48Å; A102-I107 VanDerWaalsContact O-N 3.1Å
103R98.3Very high97.7Very high82 Ų8227.7 Ų27.731%0.30914%0.144SC..Iπ-helixtrans-68.2-42-178.7-174.4-174.1-66.6114.4-2.1113.3L84 E85 A88 L99 A100 L101 P108L84-R103 HydrophobicContact CD2-CG 3.77Å; E85-R103 IonicContact OE1-CZ 2.66Å; E85-R103 IonicContact OE1-NE 3.5Å; E85-R103 IonicContact OE1-NH2 2.92Å; E85-R103 PolarHBondContact OE1-NH2 2.93Å; E85-R103 IonicContact OE2-CZ 2.75Å; E85-R103 IonicContact OE2-NE 3.84Å; E85-R103 PolarHBondContact OE2-NE 3.22Å; E85-R103 IonicContact OE2-NH2 2.71Å; E85-R103 PolarHBondContact OE2-NH2 3.41Å; E85-R103 VanDerWaalsContact OE2-NH2 3.15Å; A88-R103 HydrophobicContact CB-CB 4.02Å; L99-R103 VanDerWaalsContact CG-NH2 3.31Å; L99-R103 WeakPolarHBondContact O-CB 3.22Å; L99-R103 PolarHBondContact O-N 3.43Å; A100-R103 PolarHBondContact O-N 2.87Å; L101-R103 VanDerWaalsContact C-N 3.31Å; L101-R103 PolarHBondContact O-N 3.35Å; R103-P108 WeakPolarHBondContact O-CD 3.19Å; R103-P108 WeakPolarHBondContact O-CG 3.43Å
104T96.7Very high97.7Very high105 Ų10524 Ų2464%0.64413%0.128SC*.Iπ-helixtrans-93.9-17.1-171.861.40000113.7A100 L101A100-T104 WeakPolarHBondContact O-CG2 3.23Å; A100-T104 PolarHBondContact O-N 3.13Å; A100-T104 PolarHBondContact O-OG1 3.06Å; L101-T104 PolarHBondContact O-N 3.45Å
105M95.2Very high97.8Very high42 Ų4227.8 Ų27.821%0.20714%0.142CC..Iπ-helixtrans-122.7-64.7-176.5-170.5176.873.600112.1L101 R109 L156 L449L101-M105 HydrophobicContact CD1-CB 4.12Å; L101-M105 HydrophobicContact CD1-CE 3.57Å; L101-M105 HydrophobicContact CD1-SD 4.02Å; L101-M105 HydrophobicContact CD2-CE 4.28Å; L101-M105 HydrophobicContact CG-CE 3.94Å; L101-M105 WeakPolarHBondContact O-CB 3.39Å; L101-M105 PolarHBondContact O-N 3.27Å; M105-R109 HydrophobicContact CG-CG 4.5Å; M105-R109 VanDerWaalsContact O-CB 3.23Å; M105-R109 WeakPolarHBondContact O-CB 3.22Å; M105-R109 WeakPolarHBondContact O-CG 3.27Å; M105-R109 PolarHBondContact O-N 2.93Å; M105-L156 HydrophobicContact CE-CD2 4.1Å; M105-L449 HydrophobicContact SD-CD2 4.07Å
106D96.2Very high97.7Very high0 Ų029.3 Ų29.30%015%0.149CC..Iπ-helixtrans-69-50-163.5-65.91.4000113.3K97 A102 R109 S110 L156K97-D106 VanDerWaalsContact CD-OD2 3.31Å; K97-D106 WeakPolarHBondContact CD-OD2 3.15Å; K97-D106 WeakPolarHBondContact CE-OD2 3.35Å; K97-D106 IonicContact NZ-OD2 2.9Å; K97-D106 PolarHBondContact NZ-OD2 3.41Å; A102-D106 PolarHBondContact O-N 2.82Å; D106-R109 PolarHBondContact O-N 3.44Å; D106-S110 PolarHBondContact O-N 3.22Å; D106-S110 PolarHBondContact O-OG 3.27Å; D106-L156 WeakPolarHBondContact OD1-CD2 2.86Å
107I98.6Very high97.7Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-68.7-46.2-179.8-51.6-50.4000111.2L80 L84 F87 A88 E91 A102 R109 S110 V111 L158L80-I107 HydrophobicContact CD1-CG2 4.34Å; L80-I107 HydrophobicContact CG-CG2 4.48Å; L84-I107 HydrophobicContact CB-CG2 4.18Å; L84-I107 HydrophobicContact CD1-CG2 4.4Å; L84-I107 HydrophobicContact CG-CB 4.17Å; L84-I107 HydrophobicContact CG-CG2 3.78Å; F87-I107 HydrophobicContact CB-CD1 3.79Å; F87-I107 HydrophobicContact CB-CG1 4.06Å; F87-I107 HydrophobicContact CB-CG2 4.15Å; A88-I107 HydrophobicContact CB-CG1 4.08Å; E91-I107 HydrophobicContact CB-CD1 4.28Å; A102-I107 PolarHBondContact O-N 3.48Å; A102-I107 VanDerWaalsContact O-N 3.1Å; I107-R109 VanDerWaalsContact C-N 3.28Å; I107-R109 PolarHBondContact O-N 3.05Å; I107-S110 WeakPolarHBondContact O-CA 3.27Å; I107-S110 WeakPolarHBondContact O-CB 3.48Å; I107-S110 PolarHBondContact O-N 2.89Å; I107-V111 PolarHBondContact O-N 2.98Å; I107-L158 HydrophobicContact CD1-CB 4.49Å; I107-L158 HydrophobicContact CD1-CD2 3.7Å
108P98.1Very high97.7Very high44 Ų4429.3 Ų29.329%0.28615%0.149SC..Hα-helixtrans-55.9-39.4172.4-27.935.3000113.8L84 R103 S110 V111 Q112L84-P108 HydrophobicContact CD1-CG 4.14Å; R103-P108 WeakPolarHBondContact O-CD 3.19Å; R103-P108 WeakPolarHBondContact O-CG 3.43Å; P108-S110 VanDerWaalsContact C-N 3.34Å; P108-V111 PolarHBondContact O-N 3.33Å; P108-Q112 WeakPolarHBondContact O-CB 3.34Å; P108-Q112 PolarHBondContact O-N 2.82Å
109R96.5Very high97.6Very high34 Ų3432 Ų3213%0.12817%0.168CC..Hα-helixtrans-68-35.4176.5-71.3-72.3-71.4-174.7-7111.9M105 D106 I107 Q112 N113 Y159 R451M105-R109 HydrophobicContact CG-CG 4.5Å; M105-R109 VanDerWaalsContact O-CB 3.23Å; M105-R109 WeakPolarHBondContact O-CB 3.22Å; M105-R109 WeakPolarHBondContact O-CG 3.27Å; M105-R109 PolarHBondContact O-N 2.93Å; D106-R109 PolarHBondContact O-N 3.44Å; I107-R109 VanDerWaalsContact C-N 3.28Å; I107-R109 PolarHBondContact O-N 3.05Å; R109-Q112 PolarHBondContact O-N 2.83Å; R109-N113 PolarHBondContact O-N 2.97Å; R109-N113 PolarHBondContact O-ND2 2.89Å; R109-N113 PolarHBondContact O-OD1 3.35Å; R109-N113 VanDerWaalsContact O-OD1 3.06Å; R109-Y159 HydrophobicContact CB-CD1 4.24Å; R109-Y159 HydrophobicContact CB-CD2 3.69Å; R109-Y159 HydrophobicContact CB-CE1 4.35Å; R109-Y159 HydrophobicContact CB-CE2 3.89Å; R109-Y159 HydrophobicContact CB-CG 3.98Å; R109-Y159 PolarHBondContact NH2-OH 3.2Å; R109-Y159 VanDerWaalsContact NH2-OH 3.15Å; R109-R451 VanDerWaalsContact NH2-NH2 3.15Å
110S98.3Very high97.4Very high0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-62.8-42.6173.5-54.60000112.1D106 I107 P108 N113 F114 Y159 T162D106-S110 PolarHBondContact O-N 3.22Å; D106-S110 PolarHBondContact O-OG 3.27Å; I107-S110 WeakPolarHBondContact O-CA 3.27Å; I107-S110 WeakPolarHBondContact O-CB 3.48Å; I107-S110 PolarHBondContact O-N 2.89Å; P108-S110 VanDerWaalsContact C-N 3.34Å; S110-N113 PolarHBondContact O-N 3.11Å; S110-F114 WeakPolarHBondContact O-CD2 3.42Å; S110-Y159 VanDerWaalsContact OG-CA 3.25Å; S110-Y159 WeakPolarHBondContact OG-CA 3.36Å; S110-Y159 PolarHBondContact OG-N 2.92Å; S110-T162 WeakPolarHBondContact CA-OG1 3.28Å
111V98.7Very high97.2Very high5 Ų529.9 Ų29.93%0.0315%0.152CC..Hα-helixtrans-60.7-47.5171.2174.70000110.6A77 L80 E81 I107 P108 N113 F114 R115A77-V111 HydrophobicContact CB-CG1 4.19Å; L80-V111 HydrophobicContact CB-CG2 4.04Å; L80-V111 HydrophobicContact CD2-CG2 3.91Å; L80-V111 HydrophobicContact CG-CG2 3.71Å; E81-V111 HydrophobicContact CB-CG1 4.15Å; E81-V111 HydrophobicContact CB-CG2 4.08Å; I107-V111 PolarHBondContact O-N 2.98Å; P108-V111 PolarHBondContact O-N 3.33Å; V111-N113 VanDerWaalsContact C-N 3.28Å; V111-N113 PolarHBondContact O-N 2.98Å; V111-F114 PolarHBondContact O-N 3.25Å; V111-R115 HydrophobicContact CG1-CG 4.45Å; V111-R115 PolarHBondContact O-N 2.89Å; V111-R115 VanDerWaalsContact O-N 3.07Å
112Q97.4Very high97.1Very high84 Ų8431.8 Ų31.839%0.39316%0.162SC..Hα-helixtrans-60-38.1-178.9-165.7-175.713.800112P108 R109 F114 R115 F116 L453P108-Q112 WeakPolarHBondContact O-CB 3.34Å; P108-Q112 PolarHBondContact O-N 2.82Å; R109-Q112 PolarHBondContact O-N 2.83Å; Q112-F114 PolarHBondContact O-N 2.84Å; Q112-R115 PolarHBondContact O-N 3.18Å; Q112-F116 WeakPolarHBondContact O-CB 3.35Å; Q112-F116 PolarHBondContact O-N 2.87Å; Q112-L453 HydrophobicContact CG-CD1 3.87Å
113N97.7Very high96.8Very high0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-57-50.5177.3-66.3-15.3000111.4R109 S110 V111 F116 F117 Y159 T162 W163 A166R109-N113 PolarHBondContact O-N 2.97Å; R109-N113 PolarHBondContact O-ND2 2.89Å; R109-N113 PolarHBondContact O-OD1 3.35Å; R109-N113 VanDerWaalsContact O-OD1 3.06Å; S110-N113 PolarHBondContact O-N 3.11Å; V111-N113 VanDerWaalsContact C-N 3.28Å; V111-N113 PolarHBondContact O-N 2.98Å; N113-F116 PolarHBondContact O-N 3.2Å; N113-F117 VanDerWaalsContact O-CD2 3.23Å; N113-F117 WeakPolarHBondContact O-CD2 3.28Å; N113-F117 PolarHBondContact O-N 3.24Å; N113-Y159 VanDerWaalsContact ND2-CD2 3.34Å; N113-Y159 WeakPolarHBondContact ND2-CD2 3.13Å; N113-Y159 WeakPolarHBondContact ND2-CE2 3.33Å; N113-Y159 PolarHBondContact ND2-O 2.8Å; N113-T162 PolarHBondContact ND2-OG1 3.06Å; N113-W163 HydrophobicContact CB-CE3 4.24Å; N113-W163 VanDerWaalsContact CG-CE3 3.43Å; N113-W163 WeakPolarHBondContact ND2-CA 3.36Å; N113-W163 PolarHBondContact ND2-N 2.97Å; N113-W163 VanDerWaalsContact ND2-N 3.19Å; N113-W163 WeakPolarHBondContact OD1-CZ3 3.45Å; N113-A166 HydrophobicContact CB-CB 4.36Å
114F98.6Very high96.2Very high0 Ų038.7 Ų38.70%020%0.197CC..Hα-helixtrans-64.2-47.6177.9-75.4-69.5000112.1L73 V76 A77 S110 V111 Q112 F116 F117 A118 T162 I165 A166 I169 L190L73-F114 HydrophobicContact CD2-CD1 4.27Å; L73-F114 HydrophobicContact CG-CD1 4.26Å; V76-F114 HydrophobicContact CB-CD1 4.37Å; V76-F114 HydrophobicContact CB-CG 4.45Å; V76-F114 HydrophobicContact CG1-CD1 4.13Å; V76-F114 HydrophobicContact CG1-CD2 3.85Å; V76-F114 HydrophobicContact CG1-CE1 3.97Å; V76-F114 HydrophobicContact CG1-CE2 3.65Å; V76-F114 HydrophobicContact CG1-CG 4.08Å; V76-F114 HydrophobicContact CG1-CZ 3.73Å; A77-F114 HydrophobicContact CB-CB 3.78Å; S110-F114 WeakPolarHBondContact O-CD2 3.42Å; V111-F114 PolarHBondContact O-N 3.25Å; Q112-F114 PolarHBondContact O-N 2.84Å; F114-F116 VanDerWaalsContact C-N 3.31Å; F114-F116 PolarHBondContact O-N 3.07Å; F114-F117 PolarHBondContact O-N 3.32Å; F114-A118 VanDerWaalsContact O-CB 3.25Å; F114-A118 WeakPolarHBondContact O-CB 3.39Å; F114-A118 PolarHBondContact O-N 3.4Å; F114-T162 HydrophobicContact CD2-CG2 4.33Å; F114-T162 HydrophobicContact CE2-CG2 3.44Å; F114-T162 VanDerWaalsContact CE2-CG2 3.44Å; F114-T162 HydrophobicContact CZ-CG2 3.98Å; F114-I165 HydrophobicContact CE1-CG2 4.18Å; F114-I165 HydrophobicContact CZ-CG2 4.25Å; F114-A166 HydrophobicContact CD1-CB 3.67Å; F114-A166 HydrophobicContact CE1-CB 3.94Å; F114-A166 HydrophobicContact CG-CB 4.19Å; F114-I169 HydrophobicContact CE1-CD1 4.35Å; F114-L190 HydrophobicContact CE2-CD1 4.34Å
115R98.2Very high95.9Very high83 Ų8339.7 Ų39.731%0.31320%0.203SC..Hα-helixtrans-58.8-43.6178-72.6-169.1169.7148.70.8112.3A77 D78 E81 V111 Q112 A118 S119A77-R115 HydrophobicContact CB-CG 3.56Å; D78-R115 IonicContact OD1-CZ 3.95Å; D78-R115 IonicContact OD1-NE 2.9Å; D78-R115 IonicContact OD1-NH2 2.67Å; D78-R115 PolarHBondContact OD1-NH2 3.12Å; E81-R115 VanDerWaalsContact CD-NH2 3.33Å; E81-R115 IonicContact OE1-CZ 3.4Å; E81-R115 IonicContact OE1-NH1 3.59Å; E81-R115 PolarHBondContact OE1-NH1 2.79Å; E81-R115 IonicContact OE1-NH2 3.09Å; E81-R115 PolarHBondContact OE1-NH2 3.22Å; E81-R115 IonicContact OE2-CZ 2.78Å; E81-R115 IonicContact OE2-NH1 3.77Å; E81-R115 PolarHBondContact OE2-NH1 2.77Å; E81-R115 IonicContact OE2-NH2 3.85Å; E81-R115 PolarHBondContact OE2-NH2 2.98Å; V111-R115 HydrophobicContact CG1-CG 4.45Å; V111-R115 PolarHBondContact O-N 2.89Å; V111-R115 VanDerWaalsContact O-N 3.07Å; Q112-R115 PolarHBondContact O-N 3.18Å; R115-A118 PolarHBondContact O-N 2.95Å; R115-S119 PolarHBondContact O-N 3Å; R115-S119 VanDerWaalsContact O-N 3.09Å
116F97.8Very high95.6Very high31 Ų3141.2 Ų41.214%0.13622%0.218CC..Hα-helixtrans-64.8-47.3-178.6-179.7-98.1000111.9Q112 N113 F114 S119 S120 L453 N454 A470Q112-F116 WeakPolarHBondContact O-CB 3.35Å; Q112-F116 PolarHBondContact O-N 2.87Å; N113-F116 PolarHBondContact O-N 3.2Å; F114-F116 VanDerWaalsContact C-N 3.31Å; F114-F116 PolarHBondContact O-N 3.07Å; F116-S119 PolarHBondContact O-N 3.22Å; F116-S120 WeakPolarHBondContact O-CB 3.33Å; F116-S120 PolarHBondContact O-N 3.21Å; F116-S120 PolarHBondContact O-OG 3.05Å; F116-L453 HydrophobicContact CB-CD1 3.56Å; F116-L453 HydrophobicContact CD1-CB 3.75Å; F116-L453 HydrophobicContact CD1-CD1 3.97Å; F116-L453 HydrophobicContact CD2-CB 3.8Å; F116-L453 HydrophobicContact CD2-CD1 3.86Å; F116-L453 HydrophobicContact CD2-CG 4.36Å; F116-L453 HydrophobicContact CE1-CB 3.62Å; F116-L453 HydrophobicContact CE2-CB 3.66Å; F116-L453 HydrophobicContact CG-CB 3.83Å; F116-L453 HydrophobicContact CG-CD1 3.5Å; F116-L453 VanDerWaalsContact CG-CD1 3.5Å; F116-L453 HydrophobicContact CG-CG 4.29Å; F116-L453 VanDerWaalsContact CZ-C 3.5Å; F116-L453 HydrophobicContact CZ-CB 3.56Å; F116-N454 HydrophobicContact CZ-CB 4.47Å; F116-N454 WeakPolarHBondContact CZ-OD1 2.96Å; F116-A470 HydrophobicContact CE1-CB 3.74Å; F116-A470 HydrophobicContact CZ-CB 3.75Å
117F97.8Very high95.5Very high0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-73.6-26.7178.4-72.8-68.1000113L73 N113 F114 S119 S120 I121 W163 A166 P167 A170 Y474L73-F117 HydrophobicContact CD2-CB 4.07Å; N113-F117 VanDerWaalsContact O-CD2 3.23Å; N113-F117 WeakPolarHBondContact O-CD2 3.28Å; N113-F117 PolarHBondContact O-N 3.24Å; F114-F117 PolarHBondContact O-N 3.32Å; F117-S119 VanDerWaalsContact C-N 3.32Å; F117-S119 PolarHBondContact O-N 2.81Å; F117-S120 WeakPolarHBondContact CA-OG 3.26Å; F117-I121 WeakPolarHBondContact O-CG1 3.29Å; F117-I121 WeakPolarHBondContact O-CG2 3.35Å; F117-I121 PolarHBondContact O-N 3.13Å; F117-W163 HydrophobicContact CE2-CE3 4.07Å; F117-W163 HydrophobicContact CE2-CH2 4.39Å; F117-W163 AromaticContact CE2-CZ3 3.8Å; F117-W163 HydrophobicContact CE2-CZ3 3.8Å; F117-W163 HydrophobicContact CZ-CH2 4.5Å; F117-W163 HydrophobicContact CZ-CZ3 4.34Å; F117-A166 HydrophobicContact CB-CB 4.23Å; F117-A166 HydrophobicContact CD2-CB 3.86Å; F117-A166 HydrophobicContact CG-CB 4.43Å; F117-P167 HydrophobicContact CD1-CB 3.75Å; F117-P167 HydrophobicContact CD2-CB 4.08Å; F117-P167 HydrophobicContact CD2-CG 4.18Å; F117-P167 HydrophobicContact CE1-CB 3.62Å; F117-P167 HydrophobicContact CE1-CG 4.36Å; F117-P167 HydrophobicContact CE2-CB 3.95Å; F117-P167 HydrophobicContact CE2-CG 3.85Å; F117-P167 HydrophobicContact CG-CB 4Å; F117-P167 HydrophobicContact CZ-CB 3.72Å; F117-P167 HydrophobicContact CZ-CG 3.95Å; F117-A170 HydrophobicContact CB-CB 4.02Å; F117-Y474 HydrophobicContact CD1-CE2 4.16Å; F117-Y474 HydrophobicContact CE1-CE2 4.24Å
118A97.8Very high95.4Very high0 Ų052.2 Ų52.20%028%0.278CS..Hα-helixtrans-62.3-38.6169.100000112.4S70 L73 N74 F114 R115 I121S70-A118 VanDerWaalsContact CB-O 3.24Å; S70-A118 WeakPolarHBondContact CB-O 3.07Å; S70-A118 PolarHBondContact OG-O 3.36Å; L73-A118 HydrophobicContact CB-CB 3.63Å; N74-A118 WeakPolarHBondContact OD1-CB 3.43Å; F114-A118 VanDerWaalsContact O-CB 3.25Å; F114-A118 WeakPolarHBondContact O-CB 3.39Å; F114-A118 PolarHBondContact O-N 3.4Å; R115-A118 PolarHBondContact O-N 2.95Å; A118-I121 VanDerWaalsContact O-CG1 3.28Å; A118-I121 WeakPolarHBondContact O-CG1 3.44Å
119S96.4Very high95.3Very high63 Ų6354.4 Ų54.444%0.44129%0.29SS..Hα-helixtrans-79.6-50.3178.51800000111.9R115 F116 F117 I121 L122 H123R115-S119 PolarHBondContact O-N 3Å; R115-S119 VanDerWaalsContact O-N 3.09Å; F116-S119 PolarHBondContact O-N 3.22Å; F117-S119 VanDerWaalsContact C-N 3.32Å; F117-S119 PolarHBondContact O-N 2.81Å; S119-I121 PolarHBondContact O-N 2.83Å; S119-I121 VanDerWaalsContact O-N 3.14Å; S119-L122 WeakPolarHBondContact O-CB 3.31Å; S119-L122 PolarHBondContact O-N 3.46Å; S119-H123 PolarHBondContact O-CD2 3.3Å; S119-H123 VanDerWaalsContact O-CD2 3.3Å
120S94.5Very high95.3Very high14 Ų1458.2 Ų58.210%0.09831%0.31CS..Hα-helixtrans-61.1-29.5-173.558.40000113.6F116 F117 L122 H123 H124 Y474F116-S120 WeakPolarHBondContact O-CB 3.33Å; F116-S120 PolarHBondContact O-N 3.21Å; F116-S120 PolarHBondContact O-OG 3.05Å; F117-S120 WeakPolarHBondContact CA-OG 3.26Å; S120-L122 PolarHBondContact O-N 3.01Å; S120-H123 PolarHBondContact O-N 3.14Å; S120-H124 PolarHBondContact O-CD2 3.01Å; S120-H124 VanDerWaalsContact O-CD2 3.28Å; S120-H124 PolarHBondContact O-NE2 2.92Å; S120-H124 VanDerWaalsContact O-NE2 3.11Å; S120-Y474 PolarHBondContact OG-OH 2.89Å
121I93.9Very high95.2Very high11 Ų1161.2 Ų61.26%0.05633%0.325CS..G310 helixtrans-61.5-25.1176.352.7-178.1000114.2P66 R69 F117 A118 S119 H123 A170 Y474P66-I121 HydrophobicContact CB-CB 4.46Å; P66-I121 WeakPolarHBondContact O-CD1 3.5Å; R69-I121 HydrophobicContact CB-CD1 4.15Å; F117-I121 WeakPolarHBondContact O-CG1 3.29Å; F117-I121 WeakPolarHBondContact O-CG2 3.35Å; F117-I121 PolarHBondContact O-N 3.13Å; A118-I121 VanDerWaalsContact O-CG1 3.28Å; A118-I121 WeakPolarHBondContact O-CG1 3.44Å; S119-I121 PolarHBondContact O-N 2.83Å; S119-I121 VanDerWaalsContact O-N 3.14Å; I121-H123 PolarHBondContact O-N 3.49Å; I121-A170 HydrophobicContact CD1-CB 4.29Å; I121-A170 HydrophobicContact CG2-CB 3.47Å; I121-A170 VanDerWaalsContact CG2-CB 3.47Å; I121-A170 WeakPolarHBondContact CG2-O 3.26Å; I121-Y474 WeakPolarHBondContact CA-OH 3.48Å; I121-Y474 HydrophobicContact CG2-CE1 3.53Å; I121-Y474 WeakPolarHBondContact CG2-OH 3.43Å; I121-Y474 PolarHBondContact N-OH 2.67Å; I121-Y474 VanDerWaalsContact N-OH 3.08Å
122L95.4Very high95Very high69 Ų6966.7 Ų66.736%0.36135%0.354SS..G310 helixtrans-78.6-11.4-176.1-56.3179.8000112.8P66 Q67 S119 S120P66-L122 HydrophobicContact CB-CD2 4.21Å; Q67-L122 HydrophobicContact CG-CD2 4.01Å; S119-L122 WeakPolarHBondContact O-CB 3.31Å; S119-L122 PolarHBondContact O-N 3.46Å; S120-L122 PolarHBondContact O-N 3.01Å
123H91.8Very high94.9Very high139 Ų13969.8 Ų69.864%0.64437%0.368SS*.G310 helixtrans-120.813.3-167.8-59.2-60000113.5S119 S120 I121S119-H123 PolarHBondContact O-CD2 3.3Å; S119-H123 VanDerWaalsContact O-CD2 3.3Å; S120-H123 PolarHBondContact O-N 3.14Å; I121-H123 PolarHBondContact O-N 3.49Å
124H85.3Confident94.8Very high88 Ų8874.4 Ų74.441%0.40739%0.392SS..  trans-71.6133.6175-74.8-63.1000112.2S120 Y474S120-H124 PolarHBondContact O-CD2 3.01Å; S120-H124 VanDerWaalsContact O-CD2 3.28Å; S120-H124 PolarHBondContact O-NE2 2.92Å; S120-H124 VanDerWaalsContact O-NE2 3.11Å; H124-Y474 AromaticContact CD2-CZ 3.93Å; H124-Y474 AromaticContact CE1-CD2 2.97Å; H124-Y474 WeakPolarHBondContact CE1-CD2 3.33Å; H124-Y474 AromaticContact CE1-CE2 3.22Å; H124-Y474 WeakPolarHBondContact CE1-CE2 3.16Å; H124-Y474 AromaticContact CE1-CG 3.5Å; H124-Y474 VanDerWaalsContact CE1-CG 3.5Å; H124-Y474 AromaticContact CE1-CZ 3.85Å; H124-Y474 AromaticContact NE2-CD1 3.66Å; H124-Y474 AromaticContact NE2-CD2 3.08Å; H124-Y474 WeakPolarHBondContact NE2-CD2 3.32Å; H124-Y474 AromaticContact NE2-CE1 3.43Å; H124-Y474 WeakPolarHBondContact NE2-CE1 3.15Å; H124-Y474 AromaticContact NE2-CE2 2.86Å; H124-Y474 WeakPolarHBondContact NE2-CE2 3.47Å; H124-Y474 AromaticContact NE2-CG 3.5Å; H124-Y474 AromaticContact NE2-CZ 3.02Å
125T89.6Confident94.6Very high126 Ų12675.2 Ų75.277%0.77340%0.401SS*.  trans-104.2144.5173.256.70000110.1
126S90.2Very high94.6Very high74 Ų7472 Ų7252%0.51739%0.391SS..  trans-103.2157.3167.6-80.70000110.4T140S126-T140 WeakPolarHBondContact CB-O 3.05Å; S126-T140 PolarHBondContact OG-O 3.37Å
127E93.9Very high94.5Very high149 Ų14973.9 Ų73.970%0.69640%0.401SS*.  trans-87144175.7-63.7177.2173.100110.4Y139 T140E127-Y139 CarbonylContact O-C 3.55Å; E127-Y139 VanDerWaalsContact O-CA 3.28Å; E127-Y139 WeakPolarHBondContact O-CA 3.45Å; E127-T140 HydrophobicContact CB-CG2 4.5Å; E127-T140 PolarHBondContact N-OG1 3.09Å; E127-T140 PolarHBondContact O-N 2.81Å; E127-T140 PolarHBondContact O-OG1 3.38Å
128C95.9Very high94.5Very high82 Ų8276 Ų7655%0.55441%0.411SS*.EExtended strand (participates in β ladder)trans-143.1133.4174.3-175.70000109.9H138C128-H138 CarbonylContact C-O 3.52Å; C128-H138 VanDerWaalsContact CA-O 3.27Å; C128-H138 WeakPolarHBondContact CA-O 3.38Å; C128-H138 PolarHBondContact SG-O 3.48Å
129T96.5Very high94.4Very high90 Ų9079.8 Ų79.855%0.55243%0.425SS*.EExtended strand (participates in β ladder)trans-135.1137.2179.7-550000109.9H138T129-H138 PolarHBondContact N-O 3.23Å; T129-H138 PolarHBondContact O-N 3.43Å
130Q96.1Very high94.4Very high115 Ų11577.8 Ų77.854%0.53741%0.411SS..EExtended strand (participates in β ladder)trans-106.1134.2176.7-168.9170.1-27.900110.6D132Q130-D132 WeakPolarHBondContact CG-OD1 3.39Å; Q130-D132 PolarHBondContact NE2-OD1 2.96Å
131M96.4Very high94.4Very high63 Ų6379.4 Ų79.431%0.3142%0.42SS..EExtended strand (participates in β ladder)trans-11682.7176.2-72.6-175.470.100109.6H133 L134 G135 C136 H138M131-H133 VanDerWaalsContact C-N 3.34Å; M131-H133 VanDerWaalsContact CE-CE1 3.42Å; M131-H133 WeakPolarHBondContact CE-CE1 3.48Å; M131-H133 PolarHBondContact O-N 3.08Å; M131-L134 HydrophobicContact CE-CD1 3.76Å; M131-L134 PolarHBondContact O-N 3.49Å; M131-G135 PolarHBondContact O-N 2.82Å; M131-C136 HydrophobicContact CB-CB 4.29Å; M131-C136 PolarHBondContact N-O 3.42Å; M131-C136 PolarHBondContact O-N 3.3Å; M131-H138 PolarHBondContact SD-NE2 3.19Å; M131-H138 VanDerWaalsContact SD-NE2 3.4Å
132D93.6Very high94.4Very high120 Ų12083.1 Ų83.164%0.64243%0.433SS*.G310 helixtrans-56.7-42.6-171.6-66.1-33.4000113.7Q130 L134 G135Q130-D132 WeakPolarHBondContact CG-OD1 3.39Å; Q130-D132 PolarHBondContact NE2-OD1 2.96Å; D132-L134 PolarHBondContact O-N 3.39Å; D132-G135 PolarHBondContact O-N 3.48Å
133H95.6Very high94.4Very high149 Ų14981.6 Ų81.669%0.6943%0.43SS*.G310 helixtrans-62.3-14.9-179.264.9-76.7000114.2M131M131-H133 VanDerWaalsContact C-N 3.34Å; M131-H133 VanDerWaalsContact CE-CE1 3.42Å; M131-H133 WeakPolarHBondContact CE-CE1 3.48Å; M131-H133 PolarHBondContact O-N 3.08Å
134L94.9Very high94.7Very high96 Ų9676.3 Ų76.350%0.50341%0.408SS..G310 helixtrans-114.8-2.8175.7-63.8178.9000113.6M131 D132 C136M131-L134 HydrophobicContact CE-CD1 3.76Å; M131-L134 PolarHBondContact O-N 3.49Å; D132-L134 PolarHBondContact O-N 3.39Å; L134-C136 VanDerWaalsContact C-N 3.34Å; L134-C136 HydrophobicContact CB-CB 4.43Å
135G95.7Very high95.3Very high18 Ų1873.6 Ų73.619%0.18640%0.398CS..THydrogen-bonded Turntrans6140.9-172.300000112.3M131 D132 K486 H487M131-G135 PolarHBondContact O-N 2.82Å; D132-G135 PolarHBondContact O-N 3.48Å; G135-K486 CarbonylContact O-C 3.54Å; G135-K486 WeakPolarHBondContact O-CA 3.39Å; G135-H487 PolarHBondContact O-N 3.43Å; G135-H487 PolarHBondContact O-ND1 2.92Å
136C97.2Very high95.7Very high15 Ų1568 Ų6810%0.10137%0.366CS..EExtended strand (participates in β ladder)trans-119.1139.3-175.4-71.80000112.1M131 L134 T484M131-C136 HydrophobicContact CB-CB 4.29Å; M131-C136 PolarHBondContact N-O 3.42Å; M131-C136 PolarHBondContact O-N 3.3Å; L134-C136 VanDerWaalsContact C-N 3.34Å; L134-C136 HydrophobicContact CB-CB 4.43Å; C136-T484 HydrophobicContact CB-CG2 4.48Å
137M97Very high96.1Very high70 Ų7064.8 Ų64.835%0.34534%0.343SS..EExtended strand (participates in β ladder)trans-114.7129.2165.9-177.1172.467.200109.3Y139 T484 V485M137-Y139 HydrophobicContact CE-CD1 4.37Å; M137-T484 WeakPolarHBondContact O-CA 3.28Å; M137-V485 PolarHBondContact N-O 3.33Å; M137-V485 PolarHBondContact O-N 3.23Å
138H96.8Very high96.4Very high46 Ų4657.7 Ų57.721%0.21331%0.31CS..EExtended strand (participates in β ladder)trans-113.5131.5176.5-56.7-93.1000108.9C128 T129 M131 I483 T484C128-H138 CarbonylContact C-O 3.52Å; C128-H138 VanDerWaalsContact CA-O 3.27Å; C128-H138 WeakPolarHBondContact CA-O 3.38Å; C128-H138 PolarHBondContact SG-O 3.48Å; T129-H138 PolarHBondContact N-O 3.23Å; T129-H138 PolarHBondContact O-N 3.43Å; M131-H138 PolarHBondContact SD-NE2 3.19Å; M131-H138 VanDerWaalsContact SD-NE2 3.4Å; H138-I483 CarbonylContact C-O 3.47Å; H138-I483 WeakPolarHBondContact CA-O 3.48Å; H138-T484 WeakPolarHBondContact CE1-CG2 3.09Å; H138-T484 PolarHBondContact CE1-OG1 2.87Å; H138-T484 WeakPolarHBondContact ND1-CG2 3.44Å; H138-T484 PolarHBondContact ND1-OG1 3.38Å
139Y96.5Very high96.5Very high78 Ų7853.8 Ų53.831%0.30628%0.283SS..EExtended strand (participates in β ladder)trans-141.8154.6172.963.4-87.3000111.6E127 M137 V141 I483 V485E127-Y139 CarbonylContact O-C 3.55Å; E127-Y139 VanDerWaalsContact O-CA 3.28Å; E127-Y139 WeakPolarHBondContact O-CA 3.45Å; M137-Y139 HydrophobicContact CE-CD1 4.37Å; Y139-V141 HydrophobicContact CD2-CG1 3.93Å; Y139-V141 HydrophobicContact CE2-CG1 3.8Å; Y139-I483 HydrophobicContact CD1-CB 4.42Å; Y139-I483 HydrophobicContact CD2-CB 4.33Å; Y139-I483 HydrophobicContact CE1-CB 3.98Å; Y139-I483 HydrophobicContact CE1-CG2 3.79Å; Y139-I483 HydrophobicContact CE2-CB 3.87Å; Y139-I483 HydrophobicContact CE2-CD1 3.68Å; Y139-I483 HydrophobicContact CE2-CG1 4.27Å; Y139-I483 HydrophobicContact CE2-CG2 4.28Å; Y139-I483 PolarHBondContact N-O 3.01Å; Y139-I483 PolarHBondContact O-N 3.08Å; Y139-I483 WeakPolarHBondContact OH-CG2 3.1Å; Y139-V485 HydrophobicContact CE1-CG2 3.96Å
140T96.6Very high96.6Very high21 Ų2149.6 Ų49.613%0.12926%0.257CS..EExtended strand (participates in β ladder)trans-101.8142.6177.5570000111.7S126 E127 I480 K481S126-T140 WeakPolarHBondContact CB-O 3.05Å; S126-T140 PolarHBondContact OG-O 3.37Å; E127-T140 HydrophobicContact CB-CG2 4.5Å; E127-T140 PolarHBondContact N-OG1 3.09Å; E127-T140 PolarHBondContact O-N 2.81Å; E127-T140 PolarHBondContact O-OG1 3.38Å; T140-I480 HydrophobicContact CG2-CG2 3.94Å; T140-K481 CarbonylContact C-O 3.48Å; T140-K481 WeakPolarHBondContact CA-O 3.42Å
141V94.3Very high96.8Very high48 Ų4844.7 Ų44.729%0.29124%0.235SC..EExtended strand (participates in β ladder)trans-125147.2167.7-59.20000109.3Y139 K481 I483Y139-V141 HydrophobicContact CD2-CG1 3.93Å; Y139-V141 HydrophobicContact CE2-CG1 3.8Å; V141-K481 HydrophobicContact CG2-CB 3.82Å; V141-K481 HydrophobicContact CG2-CD 4.16Å; V141-K481 HydrophobicContact CG2-CG 4.32Å; V141-K481 PolarHBondContact N-O 3.11Å; V141-K481 PolarHBondContact O-N 3.28Å; V141-I483 HydrophobicContact CG1-CD1 4.1Å; V141-I483 HydrophobicContact CG2-CD1 3.84Å; V141-I483 HydrophobicContact CG2-CG1 4.5Å
142R93.8Very high96.9Very high89 Ų8942 Ų4234%0.33622%0.222SC..EExtended strand (participates in β ladder)trans-104.7126.4174.2-73.9179.8179-94.94.9110.1D475 T478 E479 I480R142-D475 IonicContact CZ-OD1 3.62Å; R142-D475 IonicContact NH1-OD1 3.41Å; R142-D475 PolarHBondContact NH1-OD1 3.02Å; R142-D475 IonicContact NH2-OD1 3.27Å; R142-D475 PolarHBondContact NH2-OD1 2.85Å; R142-T478 HydrophobicContact CB-CG2 4.27Å; R142-T478 PolarHBondContact NH1-OG1 2.72Å; R142-T478 VanDerWaalsContact NH1-OG1 3.07Å; R142-E479 WeakPolarHBondContact CA-O 3.23Å; R142-I480 HydrophobicContact CG-CG1 4.26Å
143A94.6Very high97.1Very high37 Ų3737 Ų3731%0.30620%0.196SC..EExtended strand (participates in β ladder)trans-112.1139.9174.600000109.6T478 E479A143-T478 CarbonylContact O-C 3.51Å; A143-T478 WeakPolarHBondContact O-CA 3.28Å; A143-T478 WeakPolarHBondContact O-CB 3.27Å; A143-E479 PolarHBondContact N-O 2.65Å; A143-E479 PolarHBondContact O-N 3.15Å
144P97.8Very high97.2Very high28 Ų2832 Ų3218%0.18217%0.171CC..EExtended strand (participates in β ladder)trans-58.1145.317123.8-31.4000110.6F58 A171 G172F58-P144 HydrophobicContact CE2-CB 4Å; F58-P144 HydrophobicContact CE2-CG 3.97Å; F58-P144 HydrophobicContact CZ-CB 4.23Å; F58-P144 HydrophobicContact CZ-CG 3.9Å; P144-A171 WeakPolarHBondContact CB-O 3.35Å; P144-G172 VanDerWaalsContact CB-C 3.47Å
145V98.4Very high97.4Very high31 Ų3127.7 Ų27.719%0.18815%0.149CC..  trans-70.6-37.9-175.3-175.70000111.7N173 P225 L226 K249 F477 E479V145-N173 PolarHBondContact N-OD1 3Å; V145-P225 HydrophobicContact CG1-CB 3.96Å; V145-P225 HydrophobicContact CG1-CG 3.81Å; V145-L226 HydrophobicContact CB-CD1 4.12Å; V145-L226 HydrophobicContact CB-CD2 3.9Å; V145-L226 HydrophobicContact CG1-CD1 4.47Å; V145-L226 HydrophobicContact CG1-CD2 3.77Å; V145-L226 HydrophobicContact CG1-CG 4.49Å; V145-L226 HydrophobicContact CG2-CD1 4.27Å; V145-K249 HydrophobicContact CG1-CD 4.31Å; V145-K249 HydrophobicContact CG2-CD 4.04Å; V145-F477 PolarHBondContact N-O 3.48Å; V145-E479 HydrophobicContact CG2-CG 4.24Å
146G98.6Very high97.5Very high9 Ų927.4 Ų27.49%0.09314%0.143CC..SBendtrans145-131.2-177.900000113.6F58 N173 T174F58-G146 VanDerWaalsContact CE2-CA 3.47Å; G146-N173 PolarHBondContact N-OD1 2.94Å; G146-N173 WeakPolarHBondContact O-CA 3.43Å; G146-N173 VanDerWaalsContact O-CB 3.24Å; G146-N173 WeakPolarHBondContact O-CB 3.37Å; G146-N173 PolarHBondContact O-OD1 2.7Å; G146-T174 PolarHBondContact O-N 2.92Å
147V98.9Very high97.5Very high7 Ų727 Ų274%0.04214%0.14CC..EExtended strand (participates in β ladder)trans-83.3114.3174-177.80000109.7A54 R55 V176 V224 P225 L226A54-V147 HydrophobicContact CB-CB 4.43Å; A54-V147 HydrophobicContact CB-CG1 3.69Å; A54-V147 HydrophobicContact CB-CG2 3.9Å; R55-V147 HydrophobicContact CB-CG2 4.37Å; V147-V176 HydrophobicContact CG1-CG2 3.97Å; V147-V224 HydrophobicContact CG1-CG2 4.17Å; V147-P225 WeakPolarHBondContact O-CD 3.34Å; V147-L226 VanDerWaalsContact O-CD2 3.29Å; V147-L226 WeakPolarHBondContact O-CD2 3.48Å
148A98.9Very high97.6Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-90.8124.517800000111.9L150 A168 T174 V175 V176 L226 F477A148-L150 HydrophobicContact CB-CD2 3.99Å; A148-L150 HydrophobicContact CB-CG 4.49Å; A148-A168 HydrophobicContact CB-CB 4.47Å; A148-T174 PolarHBondContact N-O 2.67Å; A148-V175 HydrophobicContact CB-CG2 4.49Å; A148-V175 WeakPolarHBondContact O-CA 3.32Å; A148-V176 PolarHBondContact O-N 2.87Å; A148-L226 HydrophobicContact CB-CD1 4.06Å; A148-L226 HydrophobicContact CB-CD2 3.95Å; A148-L226 HydrophobicContact CB-CG 3.89Å; A148-F477 HydrophobicContact CB-CD1 4.46Å; A148-F477 HydrophobicContact CB-CE1 4.13Å
149G98.9Very high97.7Very high0 Ų021.6 Ų21.60%011%0.114CC..EExtended strand (participates in β ladder)trans-87.3117.4169.900000110.6V176 L226 I227 S228G149-V176 WeakPolarHBondContact CA-O 3.4Å; G149-L226 PolarHBondContact N-O 3.26Å; G149-I227 WeakPolarHBondContact O-CA 3.43Å; G149-S228 PolarHBondContact O-N 3.48Å
150L98.9Very high97.7Very high1 Ų118.3 Ų18.31%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-117.4120.4-175.1-50.4-177000110.4A148 K164 I165 A168 V175 V176 A177 K178 F477A148-L150 HydrophobicContact CB-CD2 3.99Å; A148-L150 HydrophobicContact CB-CG 4.49Å; L150-K164 HydrophobicContact CB-CB 4.34Å; L150-K164 HydrophobicContact CB-CD 4.47Å; L150-K164 HydrophobicContact CD1-CB 3.84Å; L150-K164 HydrophobicContact CD2-CB 4.14Å; L150-K164 HydrophobicContact CG-CB 4.34Å; L150-I165 HydrophobicContact CD1-CB 4.47Å; L150-I165 HydrophobicContact CD1-CG1 3.83Å; L150-A168 HydrophobicContact CD1-CB 4.46Å; L150-V175 HydrophobicContact CD1-CB 4.31Å; L150-V175 HydrophobicContact CD1-CG1 3.44Å; L150-V175 VanDerWaalsContact CD1-CG1 3.44Å; L150-V175 HydrophobicContact CD1-CG2 3.85Å; L150-V175 HydrophobicContact CG-CG1 3.92Å; L150-V176 PolarHBondContact N-O 3.43Å; L150-A177 HydrophobicContact CB-CB 4.19Å; L150-A177 CarbonylContact O-C 3.45Å; L150-A177 VanDerWaalsContact O-CA 3.24Å; L150-A177 WeakPolarHBondContact O-CA 3.41Å; L150-K178 PolarHBondContact O-N 2.99Å; L150-F477 HydrophobicContact CD2-CE1 4.07Å; L150-F477 HydrophobicContact CD2-CZ 4.2Å
151I98.9Very high97.8Very high13 Ų1317.4 Ų17.47%0.06710%0.096CC..EExtended strand (participates in β ladder)trans-120.1121.3-180-59172.9000108.5K178 L218 V219 S228 F229 T230 I239I151-K178 WeakPolarHBondContact CA-O 3.48Å; I151-K178 HydrophobicContact CG1-CB 4.45Å; I151-K178 HydrophobicContact CG2-CD 4.31Å; I151-L218 HydrophobicContact CG1-CD2 4.21Å; I151-V219 HydrophobicContact CD1-CG2 3.69Å; I151-S228 PolarHBondContact N-O 3.08Å; I151-F229 HydrophobicContact CB-CD2 3.84Å; I151-F229 HydrophobicContact CG2-CD2 3.58Å; I151-F229 HydrophobicContact CG2-CE2 3.93Å; I151-F229 WeakPolarHBondContact O-CA 3.38Å; I151-T230 PolarHBondContact O-N 2.82Å; I151-T230 VanDerWaalsContact O-N 3.12Å; I151-I239 HydrophobicContact CD1-CD1 4.39Å
152S98.3Very high98Very high5 Ų515.1 Ų15.14%0.0358%0.082CC..  trans-120.9149.2-173.258.50000112.6K178 P179 S180S152-K178 PolarHBondContact N-O 3.42Å; S152-P179 WeakPolarHBondContact OG-CA 3.43Å; S152-S180 PolarHBondContact O-N 2.9Å
153P98.4Very high98.1Very high15 Ų1511.1 Ų11.110%0.0977%0.067CC..  trans-87.3-179.3-173.639.1-38.8000110.9N155 L160 T230P153-N155 WeakPolarHBondContact CG-OD1 3.11Å; P153-L160 HydrophobicContact CG-CB 4.34Å; P153-L160 HydrophobicContact CG-CD1 3.41Å; P153-L160 VanDerWaalsContact CG-CD1 3.41Å; P153-T230 HydrophobicContact CG-CG2 3.86Å
154W98.4Very high98.3Very high46 Ų469.4 Ų9.417%0.1745%0.052CC..SBendtrans-93.9-10.8-176.347.8-98.2000115.6Q95 P157 S180 L182 T183 E285 I330 H334 F393Q95-W154 WeakPolarHBondContact CG-O 3.37Å; W154-P157 VanDerWaalsContact O-CD 3.31Å; W154-P157 WeakPolarHBondContact O-CD 3.15Å; W154-P157 VanDerWaalsContact O-CG 3.3Å; W154-P157 WeakPolarHBondContact O-CG 2.97Å; W154-S180 WeakPolarHBondContact CB-OG 2.98Å; W154-L182 HydrophobicContact CB-CB 4.1Å; W154-L182 HydrophobicContact CG-CD1 4.12Å; W154-T183 WeakPolarHBondContact CA-OG1 3.46Å; W154-T183 HydrophobicContact CB-CG2 3.87Å; W154-T183 WeakPolarHBondContact CB-OG1 3.47Å; W154-T183 WeakPolarHBondContact O-CG2 3.3Å; W154-E285 HydrophobicContact CH2-CB 4.04Å; W154-E285 HydrophobicContact CH2-CG 3.98Å; W154-E285 HydrophobicContact CZ3-CB 3.84Å; W154-E285 HydrophobicContact CZ3-CG 3.99Å; W154-I330 HydrophobicContact CB-CG1 4.39Å; W154-I330 HydrophobicContact CD2-CB 4.2Å; W154-I330 HydrophobicContact CD2-CG1 3.99Å; W154-I330 HydrophobicContact CD2-CG2 3.93Å; W154-I330 HydrophobicContact CE3-CB 3.54Å; W154-I330 HydrophobicContact CE3-CD1 4.38Å; W154-I330 HydrophobicContact CE3-CG1 3.67Å; W154-I330 HydrophobicContact CE3-CG2 3.59Å; W154-I330 HydrophobicContact CG-CG1 4.31Å; W154-I330 HydrophobicContact CH2-CB 4.17Å; W154-I330 HydrophobicContact CH2-CG2 3.42Å; W154-I330 VanDerWaalsContact CH2-CG2 3.42Å; W154-I330 HydrophobicContact CZ2-CG2 3.79Å; W154-I330 HydrophobicContact CZ3-CB 3.55Å; W154-I330 HydrophobicContact CZ3-CG1 4.22Å; W154-I330 HydrophobicContact CZ3-CG2 3.35Å; W154-H334 AromaticContact CH2-CD2 4Å; W154-H334 AromaticContact CH2-NE2 3.84Å; W154-F393 AromaticContact CH2-CD1 3.47Å; W154-F393 HydrophobicContact CH2-CD1 3.47Å; W154-F393 VanDerWaalsContact CH2-CD1 3.47Å; W154-F393 AromaticContact CH2-CE1 3.33Å; W154-F393 HydrophobicContact CH2-CE1 3.33Å; W154-F393 AromaticContact CZ2-CD1 3.72Å; W154-F393 HydrophobicContact CZ2-CD1 3.72Å; W154-F393 AromaticContact CZ2-CE1 3.59Å; W154-F393 HydrophobicContact CZ2-CE1 3.59Å; W154-F393 HydrophobicContact CZ3-CD1 4.45Å; W154-F393 AromaticContact CZ3-CE1 3.99Å; W154-F393 HydrophobicContact CZ3-CE1 3.99Å
155N98.3Very high98.4Very high5 Ų58 Ų83%0.0274%0.044CC..SBendtrans-83.7-35.1-165.569.3-49000113.4K97 P153 P157 N282 E285 F393K97-N155 PolarHBondContact NZ-O 3.12Å; P153-N155 WeakPolarHBondContact CG-OD1 3.11Å; N155-P157 VanDerWaalsContact C-CD 3.45Å; N155-N282 PolarHBondContact O-ND2 3.36Å; N155-E285 HydrophobicContact CB-CB 4.39Å; N155-E285 WeakPolarHBondContact CB-O 3.28Å; N155-E285 PolarHBondContact ND2-O 3.37Å; N155-F393 HydrophobicContact CB-CE1 3.96Å; N155-F393 HydrophobicContact CB-CZ 4.02Å
156L97.9Very high98.4Very high11 Ų116.6 Ų6.66%0.0584%0.035CC..SBendtrans-129.166170.5-62.1171.2000108.7M105 D106 Y159 L160 I286M105-L156 HydrophobicContact CE-CD2 4.1Å; D106-L156 WeakPolarHBondContact OD1-CD2 2.86Å; L156-Y159 HydrophobicContact CB-CD1 4.29Å; L156-Y159 HydrophobicContact CD1-CD1 4.07Å; L156-Y159 HydrophobicContact CD1-CE1 4.41Å; L156-Y159 PolarHBondContact O-N 3.36Å; L156-L160 HydrophobicContact CB-CD1 3.85Å; L156-L160 HydrophobicContact CB-CG 3.84Å; L156-L160 HydrophobicContact CD1-CD1 4.41Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 PolarHBondContact O-N 2.87Å; L156-I286 HydrophobicContact CD1-CG1 4.4Å
157P98.3Very high98.4Very high6 Ų66.1 Ų6.14%0.0393%0.03CC..Hα-helixtrans-49.8-66-162.9-23.624.3000115E91 Q95 W154 N155 Y159 L161 T183E91-P157 WeakPolarHBondContact OE1-CB 3.08Å; E91-P157 WeakPolarHBondContact OE1-CD 2.84Å; E91-P157 WeakPolarHBondContact OE1-CG 3.22Å; Q95-P157 HydrophobicContact CB-CG 4.32Å; Q95-P157 HydrophobicContact CG-CG 4.29Å; W154-P157 VanDerWaalsContact O-CD 3.31Å; W154-P157 WeakPolarHBondContact O-CD 3.15Å; W154-P157 VanDerWaalsContact O-CG 3.3Å; W154-P157 WeakPolarHBondContact O-CG 2.97Å; N155-P157 VanDerWaalsContact C-CD 3.45Å; P157-Y159 VanDerWaalsContact C-N 3.32Å; P157-Y159 PolarHBondContact O-N 3.13Å; P157-L161 VanDerWaalsContact O-CB 3.28Å; P157-L161 WeakPolarHBondContact O-CB 3.46Å; P157-L161 PolarHBondContact O-N 2.87Å; P157-L161 VanDerWaalsContact O-N 3.17Å; P157-T183 VanDerWaalsContact CG-CB 3.43Å; P157-T183 HydrophobicContact CG-CG2 3.84Å; P157-T183 WeakPolarHBondContact CG-OG1 3.45Å
158L98.6Very high98.3Very high0 Ų05.8 Ų5.80%03%0.028CC..Hα-helixtrans-70.7-37-175.9-171.867.9000110.9L80 F87 E91 I107 L161 T162 L190L80-L158 HydrophobicContact CD1-CD2 3.97Å; L80-L158 HydrophobicContact CD2-CD2 4.23Å; F87-L158 HydrophobicContact CD1-CD2 3.62Å; F87-L158 HydrophobicContact CE1-CD1 4.49Å; F87-L158 HydrophobicContact CE1-CD2 4.05Å; E91-L158 PolarHBondContact OE1-N 3.04Å; E91-L158 VanDerWaalsContact OE1-N 3.11Å; I107-L158 HydrophobicContact CD1-CB 4.49Å; I107-L158 HydrophobicContact CD1-CD2 3.7Å; L158-L161 PolarHBondContact O-N 2.78Å; L158-T162 HydrophobicContact CD1-CG2 4.01Å; L158-T162 HydrophobicContact CG-CG2 4.08Å; L158-T162 WeakPolarHBondContact O-CB 3.17Å; L158-T162 VanDerWaalsContact O-CG2 3.28Å; L158-T162 WeakPolarHBondContact O-CG2 3.07Å; L158-T162 PolarHBondContact O-N 3.01Å; L158-T162 PolarHBondContact O-OG1 3.36Å; L158-L190 HydrophobicContact CD1-CB 4.12Å; L158-L190 HydrophobicContact CD1-CD2 3.99Å; L158-L190 HydrophobicContact CD1-CG 4.49Å
159Y97.6Very high98.3Very high4 Ų45.8 Ų5.82%0.0163%0.028CC..Hα-helixtrans-61.9-51.1-176.9174-150.9000111.3R109 S110 N113 L156 P157 T162 W163 R451R109-Y159 HydrophobicContact CB-CD1 4.24Å; R109-Y159 HydrophobicContact CB-CD2 3.69Å; R109-Y159 HydrophobicContact CB-CE1 4.35Å; R109-Y159 HydrophobicContact CB-CE2 3.89Å; R109-Y159 HydrophobicContact CB-CG 3.98Å; R109-Y159 PolarHBondContact NH2-OH 3.2Å; R109-Y159 VanDerWaalsContact NH2-OH 3.15Å; S110-Y159 VanDerWaalsContact OG-CA 3.25Å; S110-Y159 WeakPolarHBondContact OG-CA 3.36Å; S110-Y159 PolarHBondContact OG-N 2.92Å; N113-Y159 VanDerWaalsContact ND2-CD2 3.34Å; N113-Y159 WeakPolarHBondContact ND2-CD2 3.13Å; N113-Y159 WeakPolarHBondContact ND2-CE2 3.33Å; N113-Y159 PolarHBondContact ND2-O 2.8Å; L156-Y159 HydrophobicContact CB-CD1 4.29Å; L156-Y159 HydrophobicContact CD1-CD1 4.07Å; L156-Y159 HydrophobicContact CD1-CE1 4.41Å; L156-Y159 PolarHBondContact O-N 3.36Å; P157-Y159 VanDerWaalsContact C-N 3.32Å; P157-Y159 PolarHBondContact O-N 3.13Å; Y159-T162 PolarHBondContact O-OG1 3.48Å; Y159-T162 VanDerWaalsContact O-OG1 3.04Å; Y159-W163 HydrophobicContact CE2-CB 4.44Å; Y159-W163 WeakPolarHBondContact O-CB 3.41Å; Y159-W163 PolarHBondContact O-N 3.06Å; Y159-R451 VanDerWaalsContact CE1-NH2 3.27Å; Y159-R451 VanDerWaalsContact CZ-NH2 3.3Å; Y159-R451 PolarHBondContact OH-NH1 2.81Å; Y159-R451 PolarHBondContact OH-NH2 2.91Å
160L98Very high98.3Very high9 Ų95.8 Ų5.85%0.0473%0.028CC..Hα-helixtrans-75.3-26.5-178.8-65.6175.6000112.8P153 L156 T230P153-L160 HydrophobicContact CG-CB 4.34Å; P153-L160 HydrophobicContact CG-CD1 3.41Å; P153-L160 VanDerWaalsContact CG-CD1 3.41Å; L156-L160 HydrophobicContact CB-CD1 3.85Å; L156-L160 HydrophobicContact CB-CG 3.84Å; L156-L160 HydrophobicContact CD1-CD1 4.41Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 PolarHBondContact O-N 2.87Å; L160-T230 HydrophobicContact CD1-CG2 4.29Å
161L98.8Very high98.3Very high1 Ų16.1 Ų6.11%0.0053%0.031CC..Hα-helixtrans-65-51.7171.1178.162.1000111.3P157 L158 W163 K164 I165 A177 A187 I206P157-L161 VanDerWaalsContact O-CB 3.28Å; P157-L161 WeakPolarHBondContact O-CB 3.46Å; P157-L161 PolarHBondContact O-N 2.87Å; P157-L161 VanDerWaalsContact O-N 3.17Å; L158-L161 PolarHBondContact O-N 2.78Å; L161-W163 VanDerWaalsContact C-N 3.25Å; L161-W163 PolarHBondContact O-N 3.13Å; L161-K164 PolarHBondContact O-N 2.66Å; L161-I165 HydrophobicContact CD1-CD1 3.76Å; L161-I165 HydrophobicContact CD1-CG1 4.13Å; L161-I165 HydrophobicContact CD2-CD1 4.24Å; L161-I165 HydrophobicContact CG-CD1 3.72Å; L161-I165 HydrophobicContact CG-CG1 4.35Å; L161-I165 PolarHBondContact O-N 2.75Å; L161-A177 HydrophobicContact CD1-CB 3.96Å; L161-A187 HydrophobicContact CD2-CB 3.49Å; L161-A187 VanDerWaalsContact CD2-CB 3.49Å; L161-I206 HydrophobicContact CD2-CD1 4.48Å
162T98.4Very high98.2Very high0 Ų05.5 Ų5.50%03%0.028CC..Hα-helixtrans-67.6-28.2-179.257.10000112.4S110 N113 F114 L158 Y159 K164 I165 A166 L190S110-T162 WeakPolarHBondContact CA-OG1 3.28Å; N113-T162 PolarHBondContact ND2-OG1 3.06Å; F114-T162 HydrophobicContact CD2-CG2 4.33Å; F114-T162 HydrophobicContact CE2-CG2 3.44Å; F114-T162 VanDerWaalsContact CE2-CG2 3.44Å; F114-T162 HydrophobicContact CZ-CG2 3.98Å; L158-T162 HydrophobicContact CD1-CG2 4.01Å; L158-T162 HydrophobicContact CG-CG2 4.08Å; L158-T162 WeakPolarHBondContact O-CB 3.17Å; L158-T162 VanDerWaalsContact O-CG2 3.28Å; L158-T162 WeakPolarHBondContact O-CG2 3.07Å; L158-T162 PolarHBondContact O-N 3.01Å; L158-T162 PolarHBondContact O-OG1 3.36Å; Y159-T162 PolarHBondContact O-OG1 3.48Å; Y159-T162 VanDerWaalsContact O-OG1 3.04Å; T162-K164 PolarHBondContact O-N 2.89Å; T162-I165 PolarHBondContact O-N 2.9Å; T162-A166 WeakPolarHBondContact O-CB 3.42Å; T162-A166 PolarHBondContact O-N 3.47Å; T162-L190 HydrophobicContact CG2-CD2 4.04Å
163W96.3Very high98.3Very high5 Ų55.3 Ų5.32%0.0193%0.026CC..Hα-helixtrans-61.3-22.5172.7-167.7-121.2000113.1N113 F117 Y159 L161 P167 L453 E468N113-W163 HydrophobicContact CB-CE3 4.24Å; N113-W163 VanDerWaalsContact CG-CE3 3.43Å; N113-W163 WeakPolarHBondContact ND2-CA 3.36Å; N113-W163 PolarHBondContact ND2-N 2.97Å; N113-W163 VanDerWaalsContact ND2-N 3.19Å; N113-W163 WeakPolarHBondContact OD1-CZ3 3.45Å; F117-W163 HydrophobicContact CE2-CE3 4.07Å; F117-W163 HydrophobicContact CE2-CH2 4.39Å; F117-W163 AromaticContact CE2-CZ3 3.8Å; F117-W163 HydrophobicContact CE2-CZ3 3.8Å; F117-W163 HydrophobicContact CZ-CH2 4.5Å; F117-W163 HydrophobicContact CZ-CZ3 4.34Å; Y159-W163 HydrophobicContact CE2-CB 4.44Å; Y159-W163 WeakPolarHBondContact O-CB 3.41Å; Y159-W163 PolarHBondContact O-N 3.06Å; L161-W163 VanDerWaalsContact C-N 3.25Å; L161-W163 PolarHBondContact O-N 3.13Å; W163-P167 VanDerWaalsContact O-CD 3.23Å; W163-P167 WeakPolarHBondContact O-CD 3.26Å; W163-P167 WeakPolarHBondContact O-CG 3.5Å; W163-L453 HydrophobicContact CH2-CB 4.12Å; W163-L453 HydrophobicContact CH2-CD2 3.42Å; W163-L453 VanDerWaalsContact CH2-CD2 3.42Å; W163-L453 HydrophobicContact CH2-CG 4.21Å; W163-L453 HydrophobicContact CZ2-CD2 4.46Å; W163-L453 HydrophobicContact CZ3-CB 4.46Å; W163-L453 HydrophobicContact CZ3-CD1 4.17Å; W163-L453 HydrophobicContact CZ3-CD2 3.53Å; W163-L453 HydrophobicContact CZ3-CG 4.24Å; W163-E468 HydrophobicContact CZ2-CB 4.24Å; W163-E468 PolarHBondContact NE1-OE2 2.79Å
164K98.4Very high98.3Very high1 Ų14.6 Ų4.60%0.0042%0.022CC..Hα-helixtrans-98-43.7174.5-60.7-179.4-174.5-57.80112.6L150 L161 T162 P167 A168 S228 T230 E468L150-K164 HydrophobicContact CB-CB 4.34Å; L150-K164 HydrophobicContact CB-CD 4.47Å; L150-K164 HydrophobicContact CD1-CB 3.84Å; L150-K164 HydrophobicContact CD2-CB 4.14Å; L150-K164 HydrophobicContact CG-CB 4.34Å; L161-K164 PolarHBondContact O-N 2.66Å; T162-K164 PolarHBondContact O-N 2.89Å; K164-P167 WeakPolarHBondContact O-CD 3.14Å; K164-P167 WeakPolarHBondContact O-CG 3.36Å; K164-A168 WeakPolarHBondContact O-CB 3.24Å; K164-A168 PolarHBondContact O-N 2.79Å; K164-S228 PolarHBondContact NZ-OG 3.34Å; K164-T230 WeakPolarHBondContact CE-OG1 3.42Å; K164-T230 PolarHBondContact NZ-OG1 3.07Å; K164-E468 IonicContact NZ-OE1 3.65Å; K164-E468 PolarHBondContact NZ-OE1 3.44Å
165I98.8Very high98.3Very high0 Ų02.4 Ų2.40%01%0.013CC..Hα-helixtrans-63.3-50.5-178.3-67.9178.3000110.8F114 L150 L161 T162 A168 I169 V175 L190 V204F114-I165 HydrophobicContact CE1-CG2 4.18Å; F114-I165 HydrophobicContact CZ-CG2 4.25Å; L150-I165 HydrophobicContact CD1-CB 4.47Å; L150-I165 HydrophobicContact CD1-CG1 3.83Å; L161-I165 HydrophobicContact CD1-CD1 3.76Å; L161-I165 HydrophobicContact CD1-CG1 4.13Å; L161-I165 HydrophobicContact CD2-CD1 4.24Å; L161-I165 HydrophobicContact CG-CD1 3.72Å; L161-I165 HydrophobicContact CG-CG1 4.35Å; L161-I165 PolarHBondContact O-N 2.75Å; T162-I165 PolarHBondContact O-N 2.9Å; I165-A168 PolarHBondContact O-N 2.88Å; I165-I169 HydrophobicContact CG2-CD1 4.22Å; I165-I169 HydrophobicContact CG2-CG2 4.4Å; I165-I169 WeakPolarHBondContact O-CG1 3.25Å; I165-I169 PolarHBondContact O-N 3.11Å; I165-V175 HydrophobicContact CG1-CG1 4.38Å; I165-L190 HydrophobicContact CD1-CD2 4.3Å; I165-V204 HydrophobicContact CD1-CG1 4.3Å; I165-V204 HydrophobicContact CG2-CG2 4.22Å
166A98.5Very high98.3Very high0 Ų02.1 Ų2.10%01%0.012CC..Hα-helixtrans-55.3-55.5-173.500000112.5L73 N113 F114 F117 T162 A168 A170L73-A166 HydrophobicContact CD2-CB 4.45Å; N113-A166 HydrophobicContact CB-CB 4.36Å; F114-A166 HydrophobicContact CD1-CB 3.67Å; F114-A166 HydrophobicContact CE1-CB 3.94Å; F114-A166 HydrophobicContact CG-CB 4.19Å; F117-A166 HydrophobicContact CB-CB 4.23Å; F117-A166 HydrophobicContact CD2-CB 3.86Å; F117-A166 HydrophobicContact CG-CB 4.43Å; T162-A166 WeakPolarHBondContact O-CB 3.42Å; T162-A166 PolarHBondContact O-N 3.47Å; A166-A168 VanDerWaalsContact C-N 3.35Å; A166-A168 PolarHBondContact O-N 2.73Å; A166-A170 WeakPolarHBondContact O-CB 3.41Å; A166-A170 PolarHBondContact O-N 3.02Å
167P98.1Very high98.4Very high0 Ų01.6 Ų1.60%01%0.009CC..Hα-helixtrans-64.3-36.3177.922.1-30.5000113.5F117 W163 K164 A170 A171 F477F117-P167 HydrophobicContact CD1-CB 3.75Å; F117-P167 HydrophobicContact CD2-CB 4.08Å; F117-P167 HydrophobicContact CD2-CG 4.18Å; F117-P167 HydrophobicContact CE1-CB 3.62Å; F117-P167 HydrophobicContact CE1-CG 4.36Å; F117-P167 HydrophobicContact CE2-CB 3.95Å; F117-P167 HydrophobicContact CE2-CG 3.85Å; F117-P167 HydrophobicContact CG-CB 4Å; F117-P167 HydrophobicContact CZ-CB 3.72Å; F117-P167 HydrophobicContact CZ-CG 3.95Å; W163-P167 VanDerWaalsContact O-CD 3.23Å; W163-P167 WeakPolarHBondContact O-CD 3.26Å; W163-P167 WeakPolarHBondContact O-CG 3.5Å; K164-P167 WeakPolarHBondContact O-CD 3.14Å; K164-P167 WeakPolarHBondContact O-CG 3.36Å; P167-A170 PolarHBondContact O-N 3.34Å; P167-A171 WeakPolarHBondContact O-CB 3.4Å; P167-A171 PolarHBondContact O-N 2.83Å; P167-F477 HydrophobicContact CB-CD2 3.83Å; P167-F477 HydrophobicContact CB-CE2 3.84Å; P167-F477 HydrophobicContact CG-CD2 4.19Å; P167-F477 HydrophobicContact CG-CE2 3.67Å
168A98.7Very high98.4Very high0 Ų01.8 Ų1.80%01%0.01CC..Hα-helixtrans-60.1-53.3-179.100000111.5A148 L150 K164 I165 A166 A171 G172 N173 V175 F477A148-A168 HydrophobicContact CB-CB 4.47Å; L150-A168 HydrophobicContact CD1-CB 4.46Å; K164-A168 WeakPolarHBondContact O-CB 3.24Å; K164-A168 PolarHBondContact O-N 2.79Å; I165-A168 PolarHBondContact O-N 2.88Å; A166-A168 VanDerWaalsContact C-N 3.35Å; A166-A168 PolarHBondContact O-N 2.73Å; A168-A171 PolarHBondContact O-N 2.92Å; A168-G172 PolarHBondContact O-N 2.81Å; A168-N173 VanDerWaalsContact O-CB 3.3Å; A168-N173 WeakPolarHBondContact O-CB 3.37Å; A168-N173 PolarHBondContact O-N 3.01Å; A168-N173 PolarHBondContact O-ND2 2.72Å; A168-N173 VanDerWaalsContact O-ND2 3.08Å; A168-V175 HydrophobicContact CB-CG2 3.77Å; A168-F477 HydrophobicContact CB-CD1 3.73Å; A168-F477 HydrophobicContact CB-CE1 3.5Å; A168-F477 HydrophobicContact CB-CE2 4.35Å; A168-F477 HydrophobicContact CB-CG 4.28Å; A168-F477 HydrophobicContact CB-CZ 3.85Å
169I98.7Very high98.4Very high0 Ų02 Ų20%01%0.011CC..Hα-helixtrans-73.4-30.5-179.468.7174.3000111.7W61 R69 L73 F114 I165 A171 G172 V175 V203 V204W61-I169 HydrophobicContact CZ2-CB 4.13Å; W61-I169 WeakPolarHBondContact CZ2-O 3.42Å; W61-I169 PolarHBondContact NE1-O 2.73Å; R69-I169 WeakPolarHBondContact CD-O 3.37Å; L73-I169 HydrophobicContact CD1-CD1 4.2Å; L73-I169 HydrophobicContact CD1-CG1 4.04Å; L73-I169 HydrophobicContact CD2-CG1 4.44Å; L73-I169 HydrophobicContact CG-CD1 4.22Å; L73-I169 HydrophobicContact CG-CG1 4.28Å; F114-I169 HydrophobicContact CE1-CD1 4.35Å; I165-I169 HydrophobicContact CG2-CD1 4.22Å; I165-I169 HydrophobicContact CG2-CG2 4.4Å; I165-I169 WeakPolarHBondContact O-CG1 3.25Å; I165-I169 PolarHBondContact O-N 3.11Å; I169-A171 VanDerWaalsContact C-N 3.34Å; I169-A171 PolarHBondContact O-N 2.88Å; I169-G172 PolarHBondContact O-N 2.77Å; I169-V175 HydrophobicContact CG2-CG2 3.85Å; I169-V203 HydrophobicContact CG2-CG1 4.08Å; I169-V204 HydrophobicContact CG2-CG2 3.79Å
170A98.3Very high98.4Very high0 Ų02.2 Ų2.20%01%0.013CC..Hα-helixtrans-62.2-42.7174.300000111.4R69 L73 F117 I121 A166 P167 G172R69-A170 PolarHBondContact NE-O 3.28Å; R69-A170 PolarHBondContact NH2-O 2.82Å; L73-A170 HydrophobicContact CD1-CB 4.34Å; L73-A170 HydrophobicContact CD2-CB 3.72Å; F117-A170 HydrophobicContact CB-CB 4.02Å; I121-A170 HydrophobicContact CD1-CB 4.29Å; I121-A170 HydrophobicContact CG2-CB 3.47Å; I121-A170 VanDerWaalsContact CG2-CB 3.47Å; I121-A170 WeakPolarHBondContact CG2-O 3.26Å; A166-A170 WeakPolarHBondContact O-CB 3.41Å; A166-A170 PolarHBondContact O-N 3.02Å; P167-A170 PolarHBondContact O-N 3.34Å; A170-G172 PolarHBondContact O-N 2.88Å
171A97.8Very high98.4Very high8 Ų84.2 Ų4.27%0.0662%0.022CC..Hα-helixtrans-67-14.7174.500000113.7P144 P167 A168 I169 Y474 F477 T478P144-A171 WeakPolarHBondContact CB-O 3.35Å; P167-A171 WeakPolarHBondContact O-CB 3.4Å; P167-A171 PolarHBondContact O-N 2.83Å; A168-A171 PolarHBondContact O-N 2.92Å; I169-A171 VanDerWaalsContact C-N 3.34Å; I169-A171 PolarHBondContact O-N 2.88Å; A171-Y474 HydrophobicContact CB-CD1 4.32Å; A171-F477 HydrophobicContact CB-CB 3.84Å; A171-T478 HydrophobicContact CB-CG2 3.95Å
172G98.3Very high98.4Very high0 Ų06.7 Ų6.70%04%0.035CC..THydrogen-bonded Turntrans99.412.1179.400000114.7F58 P144 A168 I169 A170F58-G172 WeakPolarHBondContact CE2-O 3.39Å; P144-G172 VanDerWaalsContact CB-C 3.47Å; A168-G172 PolarHBondContact O-N 2.81Å; I169-G172 PolarHBondContact O-N 2.77Å; A170-G172 PolarHBondContact O-N 2.88Å
173N98.9Very high98.4Very high0 Ų06.8 Ų6.80%04%0.035CC..  trans-77.9158.3172.5-58.3-86.1000111W61 V145 G146 A168 F477W61-N173 PolarHBondContact NE1-O 3.42Å; V145-N173 PolarHBondContact N-OD1 3Å; G146-N173 PolarHBondContact N-OD1 2.94Å; G146-N173 WeakPolarHBondContact O-CA 3.43Å; G146-N173 VanDerWaalsContact O-CB 3.24Å; G146-N173 WeakPolarHBondContact O-CB 3.37Å; G146-N173 PolarHBondContact O-OD1 2.7Å; A168-N173 VanDerWaalsContact O-CB 3.3Å; A168-N173 WeakPolarHBondContact O-CB 3.37Å; A168-N173 PolarHBondContact O-N 3.01Å; A168-N173 PolarHBondContact O-ND2 2.72Å; A168-N173 VanDerWaalsContact O-ND2 3.08Å; N173-F477 PolarHBondContact ND2-O 2.89Å; N173-F477 PolarHBondContact OD1-O 3Å
174T98.9Very high98.4Very high0 Ų06.5 Ų6.50%04%0.035CC..EExtended strand (participates in β ladder)trans-98.9161.6161.755.60000109.5A54 A57 F58 W61 G146 A148 V203A54-T174 WeakPolarHBondContact O-CB 3.36Å; A54-T174 WeakPolarHBondContact O-CG2 3.39Å; A54-T174 PolarHBondContact O-OG1 3.43Å; A57-T174 HydrophobicContact CB-CG2 4.21Å; F58-T174 HydrophobicContact CB-CG2 3.92Å; F58-T174 HydrophobicContact CD2-CG2 4.24Å; W61-T174 HydrophobicContact CB-CG2 4.4Å; G146-T174 PolarHBondContact O-N 2.92Å; A148-T174 PolarHBondContact N-O 2.67Å; T174-V203 CarbonylContact C-O 3.59Å; T174-V203 WeakPolarHBondContact CA-O 3.44Å; T174-V203 HydrophobicContact CG2-CB 4.43Å; T174-V203 HydrophobicContact CG2-CG1 4.46Å; T174-V203 HydrophobicContact CG2-CG2 4.25Å
175V98.9Very high98.4Very high0 Ų06.6 Ų6.60%04%0.035CC..EExtended strand (participates in β ladder)trans-130.3136.9-166.3168.30000111.2A148 L150 I165 A168 I169 A177 V203 V204 N205A148-V175 HydrophobicContact CB-CG2 4.49Å; A148-V175 WeakPolarHBondContact O-CA 3.32Å; L150-V175 HydrophobicContact CD1-CB 4.31Å; L150-V175 HydrophobicContact CD1-CG1 3.44Å; L150-V175 VanDerWaalsContact CD1-CG1 3.44Å; L150-V175 HydrophobicContact CD1-CG2 3.85Å; L150-V175 HydrophobicContact CG-CG1 3.92Å; I165-V175 HydrophobicContact CG1-CG1 4.38Å; A168-V175 HydrophobicContact CB-CG2 3.77Å; I169-V175 HydrophobicContact CG2-CG2 3.85Å; V175-A177 HydrophobicContact CG1-CB 3.98Å; V175-V203 PolarHBondContact N-O 2.97Å; V175-V204 HydrophobicContact CB-CG2 4.43Å; V175-V204 HydrophobicContact CG1-CG1 4.42Å; V175-N205 PolarHBondContact O-N 2.63Å; V175-N205 PolarHBondContact O-ND2 3.46Å; V175-N205 VanDerWaalsContact O-ND2 3.08Å
176V98.9Very high98.4Very high0 Ų06.6 Ų6.60%04%0.035CC..EExtended strand (participates in β ladder)trans-119.1112.6158-177.30000107.7I47 A50 V51 A54 V147 A148 G149 L150 N205 V207 L218I47-V176 HydrophobicContact CD1-CG1 4.05Å; A50-V176 HydrophobicContact CB-CG1 3.88Å; A50-V176 HydrophobicContact CB-CG2 4.08Å; V51-V176 HydrophobicContact CG2-CG2 4.01Å; A54-V176 HydrophobicContact CB-CG2 3.97Å; V147-V176 HydrophobicContact CG1-CG2 3.97Å; A148-V176 PolarHBondContact O-N 2.87Å; G149-V176 WeakPolarHBondContact CA-O 3.4Å; L150-V176 PolarHBondContact N-O 3.43Å; V176-N205 CarbonylContact C-O 3.5Å; V176-N205 WeakPolarHBondContact CA-O 3.25Å; V176-N205 HydrophobicContact CG2-CB 4.45Å; V176-V207 HydrophobicContact CG1-CG2 4.37Å; V176-L218 HydrophobicContact CB-CD1 3.88Å; V176-L218 HydrophobicContact CG1-CD1 3.77Å; V176-L218 HydrophobicContact CG1-CD2 4.4Å
177A98.9Very high98.5Very high0 Ų06.7 Ų6.70%04%0.036CC..EExtended strand (participates in β ladder)trans-109.4140.6-176.100000112.1L150 L161 V175 N205 I206 V207L150-A177 HydrophobicContact CB-CB 4.19Å; L150-A177 CarbonylContact O-C 3.45Å; L150-A177 VanDerWaalsContact O-CA 3.24Å; L150-A177 WeakPolarHBondContact O-CA 3.41Å; L161-A177 HydrophobicContact CD1-CB 3.96Å; V175-A177 HydrophobicContact CG1-CB 3.98Å; A177-N205 PolarHBondContact N-O 2.85Å; A177-I206 HydrophobicContact CB-CG1 4.42Å; A177-I206 WeakPolarHBondContact O-CA 3.33Å; A177-V207 PolarHBondContact O-N 3.31Å
178K98.7Very high98.5Very high10 Ų109.2 Ų9.24%0.0435%0.045CC..EExtended strand (participates in β ladder)trans-122.598.1170.5-176.1-107.5138.6132.90110.1L150 I151 S152 E181 V207 G209 G211 V214L150-K178 PolarHBondContact O-N 2.99Å; I151-K178 WeakPolarHBondContact CA-O 3.48Å; I151-K178 HydrophobicContact CG1-CB 4.45Å; I151-K178 HydrophobicContact CG2-CD 4.31Å; S152-K178 PolarHBondContact N-O 3.42Å; K178-E181 IonicContact NZ-OE2 3.89Å; K178-E181 PolarHBondContact NZ-OE2 3.35Å; K178-V207 WeakPolarHBondContact CA-O 3.43Å; K178-G209 WeakPolarHBondContact CE-O 3.39Å; K178-G209 PolarHBondContact NZ-O 2.91Å; K178-G211 VanDerWaalsContact NZ-N 3.19Å; K178-V214 HydrophobicContact CB-CG1 4.1Å; K178-V214 HydrophobicContact CG-CB 4.16Å; K178-V214 HydrophobicContact CG-CG1 3.7Å
179P98.6Very high98.5Very high4 Ų410.8 Ų10.83%0.0265%0.053CC..  trans-72.9159.8169.832.6-34.8000110.8S152 E181 A187 I206 F208S152-P179 WeakPolarHBondContact OG-CA 3.43Å; P179-E181 PolarHBondContact O-N 3.1Å; P179-A187 HydrophobicContact CB-CB 3.91Å; P179-A187 HydrophobicContact CG-CB 3.77Å; P179-I206 HydrophobicContact CG-CG2 3.96Å; P179-F208 HydrophobicContact CG-CD1 3.61Å; P179-F208 HydrophobicContact CG-CE1 3.44Å; P179-F208 VanDerWaalsContact CG-CE1 3.44Å; P179-F208 HydrophobicContact CG-CZ 4.44Å
180S98.4Very high98.5Very high9 Ų910.8 Ų10.86%0.0635%0.053CC..  trans-59.5135.2175.8-1780000111.6S152 W154 L182 T183 S184S152-S180 PolarHBondContact O-N 2.9Å; W154-S180 WeakPolarHBondContact CB-OG 2.98Å; S180-L182 PolarHBondContact O-N 3.27Å; S180-L182 VanDerWaalsContact O-N 3.12Å; S180-L182 PolarHBondContact OG-N 2.86Å; S180-T183 CarbonylContact O-C 3.44Å; S180-T183 PolarHBondContact O-N 3.33Å; S180-T183 VanDerWaalsContact O-N 3.08Å; S180-S184 PolarHBondContact O-OG 2.89Å
181E97.3Very high98.5Very high50 Ų5010.8 Ų10.823%0.2345%0.053CC..THydrogen-bonded Turntrans-61.7-17.7175.763.1-86.1-160.600113.5K178 P179K178-E181 IonicContact NZ-OE2 3.89Å; K178-E181 PolarHBondContact NZ-OE2 3.35Å; P179-E181 PolarHBondContact O-N 3.1Å
182L98.1Very high98.6Very high54 Ų5412.9 Ų12.928%0.2837%0.065SC..THydrogen-bonded Turntrans-79.1-20.2176.8-58179.4000113.4S27 W154 S180 I330S27-L182 PolarHBondContact OG-O 2.9Å; W154-L182 HydrophobicContact CB-CB 4.1Å; W154-L182 HydrophobicContact CG-CD1 4.12Å; S180-L182 PolarHBondContact O-N 3.27Å; S180-L182 VanDerWaalsContact O-N 3.12Å; S180-L182 PolarHBondContact OG-N 2.86Å; L182-I330 HydrophobicContact CB-CD1 4.21Å; L182-I330 HydrophobicContact CB-CG1 4.03Å; L182-I330 HydrophobicContact CD1-CG1 3.92Å
183T98.1Very high98.6Very high1 Ų113.2 Ų13.21%0.0067%0.067CC..SBendtrans-149.666.8-171.857.30000111.3D94 Q95 W154 P157 S180 I330D94-T183 WeakPolarHBondContact OD2-CA 3.24Å; Q95-T183 HydrophobicContact CB-CG2 3.89Å; Q95-T183 HydrophobicContact CG-CG2 4Å; W154-T183 WeakPolarHBondContact CA-OG1 3.46Å; W154-T183 HydrophobicContact CB-CG2 3.87Å; W154-T183 WeakPolarHBondContact CB-OG1 3.47Å; W154-T183 WeakPolarHBondContact O-CG2 3.3Å; P157-T183 VanDerWaalsContact CG-CB 3.43Å; P157-T183 HydrophobicContact CG-CG2 3.84Å; P157-T183 WeakPolarHBondContact CG-OG1 3.45Å; S180-T183 CarbonylContact O-C 3.44Å; S180-T183 PolarHBondContact O-N 3.33Å; S180-T183 VanDerWaalsContact O-N 3.08Å; T183-I330 HydrophobicContact CG2-CD1 3.5Å
184S98.1Very high98.6Very high0 Ų013.2 Ų13.20%07%0.067CC..  trans-102.8-10.4-170.3-75.60000113.9D94 S180 T186 A187 W188 F208D94-S184 PolarHBondContact OD2-N 3.13Å; S180-S184 PolarHBondContact O-OG 2.89Å; S184-T186 PolarHBondContact O-N 3.39Å; S184-A187 PolarHBondContact O-N 3.2Å; S184-W188 WeakPolarHBondContact O-CB 3.48Å; S184-W188 PolarHBondContact O-N 2.54Å; S184-F208 WeakPolarHBondContact OG-CD1 3.47Å
185V98.6Very high98.5Very high2 Ų217.5 Ų17.51%0.0129%0.09CC..Hα-helixtrans-66.3-45.6-169.9176.80000112L8 L10 Y36 C37 A90 D94 W188 M189L8-V185 HydrophobicContact CD2-CG1 4.04Å; L8-V185 HydrophobicContact CD2-CG2 4.13Å; L10-V185 HydrophobicContact CD1-CG2 4.3Å; L10-V185 HydrophobicContact CD2-CG2 4.4Å; Y36-V185 HydrophobicContact CD1-CG2 4.26Å; Y36-V185 HydrophobicContact CE1-CB 4.39Å; Y36-V185 HydrophobicContact CE1-CG1 4.45Å; Y36-V185 HydrophobicContact CE1-CG2 3.72Å; C37-V185 HydrophobicContact CB-CG2 4.34Å; A90-V185 HydrophobicContact CB-CG1 3.96Å; D94-V185 HydrophobicContact CB-CB 4.41Å; D94-V185 HydrophobicContact CB-CG2 4.42Å; D94-V185 WeakPolarHBondContact OD2-CB 3.47Å; D94-V185 WeakPolarHBondContact OD2-CG2 3.38Å; D94-V185 PolarHBondContact OD2-N 3.2Å; V185-W188 WeakPolarHBondContact O-CB 3.47Å; V185-W188 PolarHBondContact O-N 3.14Å; V185-M189 HydrophobicContact CG1-CG 4.46Å; V185-M189 HydrophobicContact CG1-SD 4.04Å; V185-M189 VanDerWaalsContact O-CG 3.32Å; V185-M189 WeakPolarHBondContact O-CG 3.13Å; V185-M189 PolarHBondContact O-N 3.32Å
186T98.8Very high98.5Very high0 Ų024.1 Ų24.10%012%0.118CC..Hα-helixtrans-71.6-31.3-179.650.20000112.9F87 A90 E91 S184 M189 L190F87-T186 HydrophobicContact CD1-CG2 4.11Å; F87-T186 WeakPolarHBondContact CE1-O 3.3Å; A90-T186 HydrophobicContact CB-CG2 3.79Å; E91-T186 HydrophobicContact CB-CG2 3.88Å; E91-T186 VanDerWaalsContact OE2-CB 3.28Å; E91-T186 WeakPolarHBondContact OE2-CB 3.31Å; E91-T186 WeakPolarHBondContact OE2-CG2 3.28Å; E91-T186 PolarHBondContact OE2-OG1 2.84Å; S184-T186 PolarHBondContact O-N 3.39Å; T186-M189 PolarHBondContact O-N 3.21Å; T186-L190 WeakPolarHBondContact O-CB 3.13Å; T186-L190 PolarHBondContact O-N 3.06Å
187A98.8Very high98.5Very high2 Ų224.6 Ų24.62%0.01712%0.122CC..Hα-helixtrans-63.9-41.617000000111.5L161 P179 S184 L190 C191 F208L161-A187 HydrophobicContact CD2-CB 3.49Å; L161-A187 VanDerWaalsContact CD2-CB 3.49Å; P179-A187 HydrophobicContact CB-CB 3.91Å; P179-A187 HydrophobicContact CG-CB 3.77Å; S184-A187 PolarHBondContact O-N 3.2Å; A187-L190 WeakPolarHBondContact O-CB 3.41Å; A187-L190 PolarHBondContact O-N 3.11Å; A187-C191 PolarHBondContact O-SG 3.47Å; A187-C191 VanDerWaalsContact O-SG 3.38Å; A187-F208 HydrophobicContact CB-CE1 4.18Å
188W98.8Very high98.4Very high53 Ų5326.6 Ų26.620%0.20114%0.143CC..Hα-helixtrans-65.8-40.9174.8175.380.7000112.5L8 L10 E11 F18 S184 V185 L190 C191 F208L8-W188 HydrophobicContact CD1-CH2 4.09Å; L8-W188 HydrophobicContact CD1-CZ3 4.11Å; L10-W188 HydrophobicContact CB-CG 4.29Å; L10-W188 HydrophobicContact CD1-CB 4.26Å; L10-W188 HydrophobicContact CD2-CB 4.11Å; L10-W188 HydrophobicContact CD2-CD2 3.65Å; L10-W188 HydrophobicContact CD2-CE3 3.79Å; L10-W188 HydrophobicContact CD2-CG 3.8Å; L10-W188 HydrophobicContact CD2-CZ3 4.47Å; L10-W188 HydrophobicContact CG-CG 4.46Å; E11-W188 VanDerWaalsContact O-CD1 3.31Å; F18-W188 AromaticContact CD1-CD1 3.98Å; F18-W188 AromaticContact CD1-NE1 3.47Å; F18-W188 AromaticContact CE1-CD1 3.68Å; F18-W188 HydrophobicContact CE1-CG 4.46Å; F18-W188 AromaticContact CE1-NE1 3.38Å; S184-W188 WeakPolarHBondContact O-CB 3.48Å; S184-W188 PolarHBondContact O-N 2.54Å; V185-W188 WeakPolarHBondContact O-CB 3.47Å; V185-W188 PolarHBondContact O-N 3.14Å; W188-L190 VanDerWaalsContact C-N 3.32Å; W188-L190 PolarHBondContact O-N 3.11Å; W188-C191 VanDerWaalsContact O-CB 3.25Å; W188-C191 WeakPolarHBondContact O-CB 3.39Å; W188-C191 PolarHBondContact O-N 3.4Å; W188-F208 HydrophobicContact CB-CE1 4.46Å; W188-F208 HydrophobicContact CB-CE2 4.44Å; W188-F208 HydrophobicContact CB-CZ 3.78Å
189M98.8Very high98.4Very high34 Ų3426.7 Ų26.717%0.16714%0.144CC..Hα-helixtrans-62.2-39174.2-69.5170.266.100112.1E86 F87 A90 V185 T186 C191 T192E86-M189 HydrophobicContact CB-CE 4.1Å; F87-M189 HydrophobicContact CD1-CB 4.32Å; F87-M189 HydrophobicContact CD1-CE 4.35Å; F87-M189 HydrophobicContact CD2-CE 3.74Å; F87-M189 HydrophobicContact CE1-CB 3.58Å; F87-M189 HydrophobicContact CE2-CB 4.14Å; F87-M189 HydrophobicContact CE2-CE 3.9Å; F87-M189 HydrophobicContact CG-CE 4Å; F87-M189 HydrophobicContact CZ-CB 3.48Å; F87-M189 VanDerWaalsContact CZ-CB 3.48Å; F87-M189 HydrophobicContact CZ-CE 4.32Å; A90-M189 HydrophobicContact CB-CE 4.36Å; A90-M189 HydrophobicContact CB-SD 3.49Å; A90-M189 WeakPolarHBondContact CB-SD 3.38Å; V185-M189 HydrophobicContact CG1-CG 4.46Å; V185-M189 HydrophobicContact CG1-SD 4.04Å; V185-M189 VanDerWaalsContact O-CG 3.32Å; V185-M189 WeakPolarHBondContact O-CG 3.13Å; V185-M189 PolarHBondContact O-N 3.32Å; T186-M189 PolarHBondContact O-N 3.21Å; M189-C191 PolarHBondContact O-N 3.45Å; M189-T192 PolarHBondContact O-N 2.89Å
190L98.9Very high98.4Very high0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-57.1-34.2177.8179.365.5000111.9V76 F87 F114 L158 T162 I165 T186 A187 W188 T192 L193 L194V76-L190 HydrophobicContact CG1-CD1 4.32Å; F87-L190 HydrophobicContact CE1-CB 4.35Å; F114-L190 HydrophobicContact CE2-CD1 4.34Å; L158-L190 HydrophobicContact CD1-CB 4.12Å; L158-L190 HydrophobicContact CD1-CD2 3.99Å; L158-L190 HydrophobicContact CD1-CG 4.49Å; T162-L190 HydrophobicContact CG2-CD2 4.04Å; I165-L190 HydrophobicContact CD1-CD2 4.3Å; T186-L190 WeakPolarHBondContact O-CB 3.13Å; T186-L190 PolarHBondContact O-N 3.06Å; A187-L190 WeakPolarHBondContact O-CB 3.41Å; A187-L190 PolarHBondContact O-N 3.11Å; W188-L190 VanDerWaalsContact C-N 3.32Å; W188-L190 PolarHBondContact O-N 3.11Å; L190-T192 VanDerWaalsContact C-N 3.26Å; L190-T192 PolarHBondContact O-N 3.34Å; L190-L193 WeakPolarHBondContact O-CA 3.42Å; L190-L193 WeakPolarHBondContact O-CB 3.18Å; L190-L193 PolarHBondContact O-N 2.92Å; L190-L194 HydrophobicContact CD1-CG 4.47Å; L190-L194 HydrophobicContact CD2-CD1 4.49Å; L190-L194 HydrophobicContact CG-CD1 4.12Å; L190-L194 HydrophobicContact CG-CG 4.13Å; L190-L194 WeakPolarHBondContact O-CG 3.12Å; L190-L194 PolarHBondContact O-N 3.5Å
191C98.8Very high98.5Very high0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-53.8-41.2178.2-60.80000113.1F13 F18 A187 W188 M189 L193 L194 D195F13-C191 HydrophobicContact CB-CB 3.9Å; F13-C191 WeakPolarHBondContact CB-SG 3.38Å; F13-C191 HydrophobicContact CD1-CB 3.98Å; F13-C191 HydrophobicContact CD2-CB 3.63Å; F13-C191 HydrophobicContact CE1-CB 4.38Å; F13-C191 HydrophobicContact CE2-CB 4.05Å; F13-C191 HydrophobicContact CG-CB 3.56Å; F13-C191 HydrophobicContact CZ-CB 4.39Å; F18-C191 HydrophobicContact CE1-CB 3.66Å; F18-C191 HydrophobicContact CZ-CB 3.54Å; A187-C191 PolarHBondContact O-SG 3.47Å; A187-C191 VanDerWaalsContact O-SG 3.38Å; W188-C191 VanDerWaalsContact O-CB 3.25Å; W188-C191 WeakPolarHBondContact O-CB 3.39Å; W188-C191 PolarHBondContact O-N 3.4Å; M189-C191 PolarHBondContact O-N 3.45Å; C191-L193 VanDerWaalsContact C-N 3.3Å; C191-L193 PolarHBondContact O-N 2.92Å; C191-L194 PolarHBondContact O-N 3.46Å; C191-D195 PolarHBondContact O-N 2.75Å; C191-D195 VanDerWaalsContact O-N 3.15Å
192T98.5Very high98.5Very high51 Ų5128.7 Ų28.731%0.31316%0.162SC..Hα-helixtrans-65.7-36177.3-610000111.5M189 L190 K196M189-T192 PolarHBondContact O-N 2.89Å; L190-T192 VanDerWaalsContact C-N 3.26Å; L190-T192 PolarHBondContact O-N 3.34Å; T192-K196 HydrophobicContact CG2-CD 4.18Å; T192-K196 WeakPolarHBondContact O-CB 3.2Å; T192-K196 VanDerWaalsContact O-CG 3.31Å; T192-K196 WeakPolarHBondContact O-CG 3.43Å; T192-K196 PolarHBondContact O-N 2.78Å; T192-K196 VanDerWaalsContact O-N 3.13Å
193L98.8Very high98.6Very high7 Ų726.2 Ų26.24%0.03715%0.149CC..Hα-helixtrans-72.9-35.8178-55.3-169.9000111.7L79 L80 F87 L190 C191 K196 A197L79-L193 HydrophobicContact CB-CB 4.42Å; L79-L193 HydrophobicContact CB-CD1 4.42Å; L79-L193 HydrophobicContact CB-CD2 4.23Å; L80-L193 HydrophobicContact CB-CD1 3.94Å; L80-L193 HydrophobicContact CD1-CD1 3.94Å; F87-L193 HydrophobicContact CE2-CD1 3.59Å; F87-L193 HydrophobicContact CE2-CG 4.22Å; F87-L193 HydrophobicContact CZ-CD1 3.57Å; F87-L193 HydrophobicContact CZ-CG 4.07Å; L190-L193 WeakPolarHBondContact O-CA 3.42Å; L190-L193 WeakPolarHBondContact O-CB 3.18Å; L190-L193 PolarHBondContact O-N 2.92Å; C191-L193 VanDerWaalsContact C-N 3.3Å; C191-L193 PolarHBondContact O-N 2.92Å; L193-K196 PolarHBondContact O-N 2.71Å; L193-A197 WeakPolarHBondContact O-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.15Å
194L98.7Very high98.6Very high1 Ų126.2 Ų26.21%0.00515%0.149CC..Hα-helixtrans-60.8-47175.6-67.2168.5000111V76 L190 C191 A197 G198 V199 V204V76-L194 HydrophobicContact CG1-CD2 4.28Å; V76-L194 HydrophobicContact CG2-CD2 4.09Å; L190-L194 HydrophobicContact CD1-CG 4.47Å; L190-L194 HydrophobicContact CD2-CD1 4.49Å; L190-L194 HydrophobicContact CG-CD1 4.12Å; L190-L194 HydrophobicContact CG-CG 4.13Å; L190-L194 WeakPolarHBondContact O-CG 3.12Å; L190-L194 PolarHBondContact O-N 3.5Å; C191-L194 PolarHBondContact O-N 3.46Å; L194-A197 PolarHBondContact O-N 2.75Å; L194-G198 PolarHBondContact O-N 3.45Å; L194-V199 HydrophobicContact CB-CB 4.28Å; L194-V199 HydrophobicContact CB-CG2 4.15Å; L194-V199 HydrophobicContact CD2-CG2 3.9Å; L194-V199 VanDerWaalsContact O-CB 3.27Å; L194-V199 WeakPolarHBondContact O-CB 3.46Å; L194-V199 WeakPolarHBondContact O-CG2 3.24Å; L194-V199 PolarHBondContact O-N 3.31Å; L194-V199 VanDerWaalsContact O-N 3.07Å; L194-V204 HydrophobicContact CD1-CB 4.02Å; L194-V204 HydrophobicContact CD1-CG1 3.64Å
195D97.7Very high98.6Very high90 Ų9026.2 Ų26.248%0.48115%0.149SC..Hα-helixtrans-60.6-52.1175.8-178.659000111.7F13 C191 A197 G198F13-D195 HydrophobicContact CZ-CB 4.46Å; C191-D195 PolarHBondContact O-N 2.75Å; C191-D195 VanDerWaalsContact O-N 3.15Å; D195-A197 PolarHBondContact O-N 3.2Å; D195-G198 PolarHBondContact O-N 2.92Å
196K98.5Very high98.7Very high138 Ų13826.1 Ų26.160%0.615%0.149SC*.Hα-helixtrans-59.8-31.3177.4-74.1176.8-179.4177.70113.7L79 T192 L193 G198L79-K196 HydrophobicContact CD1-CB 3.76Å; T192-K196 HydrophobicContact CG2-CD 4.18Å; T192-K196 WeakPolarHBondContact O-CB 3.2Å; T192-K196 VanDerWaalsContact O-CG 3.31Å; T192-K196 WeakPolarHBondContact O-CG 3.43Å; T192-K196 PolarHBondContact O-N 2.78Å; T192-K196 VanDerWaalsContact O-N 3.13Å; L193-K196 PolarHBondContact O-N 2.71Å; K196-G198 PolarHBondContact O-N 3.4Å
197A98.4Very high98.7Very high10 Ų1026.1 Ų26.18%0.08315%0.149CC..THydrogen-bonded Turntrans-75.3-7.5177.500000113.5Q75 V76 L79 L193 L194 D195Q75-A197 HydrophobicContact CB-CB 4.09Å; Q75-A197 HydrophobicContact CG-CB 3.83Å; V76-A197 HydrophobicContact CB-CB 4.25Å; V76-A197 HydrophobicContact CG2-CB 3.36Å; L79-A197 HydrophobicContact CD1-CB 4Å; L193-A197 WeakPolarHBondContact O-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.15Å; L194-A197 PolarHBondContact O-N 2.75Å; D195-A197 PolarHBondContact O-N 3.2Å
198G97.9Very high98.7Very high42 Ų4226 Ų2643%0.43315%0.148SC..THydrogen-bonded Turntrans7827.1-177.200000113.4L194 D195 K196 P200L194-G198 PolarHBondContact O-N 3.45Å; D195-G198 PolarHBondContact O-N 2.92Å; K196-G198 PolarHBondContact O-N 3.4Å; G198-P200 WeakPolarHBondContact O-CD 3.23Å
199V98.7Very high98.6Very high12 Ų1223.5 Ų23.57%0.07314%0.138CC..PPolyproline II helixtrans-63.4120.3164.8177.80000107.3V72 V76 L194 V203 V204V72-V199 HydrophobicContact CG1-CB 4.48Å; V72-V199 HydrophobicContact CG1-CG2 3.59Å; V76-V199 HydrophobicContact CG2-CG2 4.09Å; L194-V199 HydrophobicContact CB-CB 4.28Å; L194-V199 HydrophobicContact CB-CG2 4.15Å; L194-V199 HydrophobicContact CD2-CG2 3.9Å; L194-V199 VanDerWaalsContact O-CB 3.27Å; L194-V199 WeakPolarHBondContact O-CB 3.46Å; L194-V199 WeakPolarHBondContact O-CG2 3.24Å; L194-V199 PolarHBondContact O-N 3.31Å; L194-V199 VanDerWaalsContact O-N 3.07Å; V199-V203 HydrophobicContact CG1-CB 3.8Å; V199-V203 HydrophobicContact CG1-CG1 3.97Å; V199-V204 HydrophobicContact CG1-CB 4.49Å; V199-V204 HydrophobicContact CG1-CG2 4.11Å
200P98.8Very high98.6Very high30 Ų3023.4 Ų23.420%0.19514%0.139CC..PPolyproline II helixtrans-61147.1-176.3-23.633.8000112.1W61 R64 G198 G202 V203W61-P200 HydrophobicContact CE3-CG 4.01Å; W61-P200 HydrophobicContact CZ3-CG 4.3Å; R64-P200 VanDerWaalsContact NH2-CG 3.33Å; G198-P200 WeakPolarHBondContact O-CD 3.23Å; P200-G202 PolarHBondContact O-N 2.96Å; P200-V203 HydrophobicContact CB-CG2 3.82Å; P200-V203 HydrophobicContact CG-CG2 4.06Å; P200-V203 WeakPolarHBondContact O-CB 3.25Å; P200-V203 WeakPolarHBondContact O-CG2 3.44Å; P200-V203 PolarHBondContact O-N 2.91Å
201P98.8Very high98.5Very high75 Ų7524.8 Ų24.849%0.48715%0.154SC..THydrogen-bonded Turntrans-47.6134.7172.1-29.736.7000111.7D15 A57 V203D15-P201 WeakPolarHBondContact OD1-CB 3.19Å; A57-P201 WeakPolarHBondContact CB-O 3.26Å; P201-V203 VanDerWaalsContact C-N 3.28Å; P201-V203 PolarHBondContact O-N 3.23Å
202G98.7Very high98.4Very high1 Ų129.3 Ų29.31%0.0118%0.183CC..THydrogen-bonded Turntrans82-14.3-179.400000115.2A54 P200 V204 N205A54-G202 VanDerWaalsContact CA-O 3.25Å; A54-G202 WeakPolarHBondContact CA-O 3.28Å; P200-G202 PolarHBondContact O-N 2.96Å; G202-V204 PolarHBondContact O-N 3.18Å; G202-N205 PolarHBondContact O-ND2 3.32Å
203V98.9Very high98.4Very high1 Ų129.5 Ų29.51%0.00618%0.184CC..SBendtrans-67.5-38.2179.3173.40000112A57 W61 I169 T174 V175 V199 P200 P201A57-V203 HydrophobicContact CB-CG2 4.06Å; W61-V203 HydrophobicContact CB-CG2 3.72Å; W61-V203 HydrophobicContact CD2-CG1 3.85Å; W61-V203 HydrophobicContact CD2-CG2 4.08Å; W61-V203 HydrophobicContact CE3-CG1 4.45Å; W61-V203 HydrophobicContact CE3-CG2 4.27Å; W61-V203 HydrophobicContact CG-CG1 3.86Å; W61-V203 HydrophobicContact CG-CG2 3.83Å; I169-V203 HydrophobicContact CG2-CG1 4.08Å; T174-V203 CarbonylContact C-O 3.59Å; T174-V203 WeakPolarHBondContact CA-O 3.44Å; T174-V203 HydrophobicContact CG2-CB 4.43Å; T174-V203 HydrophobicContact CG2-CG1 4.46Å; T174-V203 HydrophobicContact CG2-CG2 4.25Å; V175-V203 PolarHBondContact N-O 2.97Å; V199-V203 HydrophobicContact CG1-CB 3.8Å; V199-V203 HydrophobicContact CG1-CG1 3.97Å; P200-V203 HydrophobicContact CB-CG2 3.82Å; P200-V203 HydrophobicContact CG-CG2 4.06Å; P200-V203 WeakPolarHBondContact O-CB 3.25Å; P200-V203 WeakPolarHBondContact O-CG2 3.44Å; P200-V203 PolarHBondContact O-N 2.91Å; P201-V203 VanDerWaalsContact C-N 3.28Å; P201-V203 PolarHBondContact O-N 3.23Å
204V98.9Very high98.3Very high2 Ų229.1 Ų29.11%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-126.8122.4170.9-179.40000108.8I165 I169 V175 L194 V199 G202 I206I165-V204 HydrophobicContact CD1-CG1 4.3Å; I165-V204 HydrophobicContact CG2-CG2 4.22Å; I169-V204 HydrophobicContact CG2-CG2 3.79Å; V175-V204 HydrophobicContact CB-CG2 4.43Å; V175-V204 HydrophobicContact CG1-CG1 4.42Å; L194-V204 HydrophobicContact CD1-CB 4.02Å; L194-V204 HydrophobicContact CD1-CG1 3.64Å; V199-V204 HydrophobicContact CG1-CB 4.49Å; V199-V204 HydrophobicContact CG1-CG2 4.11Å; G202-V204 PolarHBondContact O-N 3.18Å; V204-I206 HydrophobicContact CG1-CG1 4.23Å
205N98.9Very high98.3Very high0 Ų029.4 Ų29.40%019%0.185CC..EExtended strand (participates in β ladder)trans-120.7135.2174.1-50.1-90.1000108.3F13 D15 A50 V175 V176 A177 G202F13-N205 CarbonylContact O-C 3.6Å; F13-N205 WeakPolarHBondContact O-CA 3.5Å; D15-N205 PolarHBondContact N-OD1 2.85Å; A50-N205 HydrophobicContact CB-CB 3.89Å; V175-N205 PolarHBondContact O-N 2.63Å; V175-N205 PolarHBondContact O-ND2 3.46Å; V175-N205 VanDerWaalsContact O-ND2 3.08Å; V176-N205 CarbonylContact C-O 3.5Å; V176-N205 WeakPolarHBondContact CA-O 3.25Å; V176-N205 HydrophobicContact CG2-CB 4.45Å; A177-N205 PolarHBondContact N-O 2.85Å; G202-N205 PolarHBondContact O-ND2 3.32Å
206I98.9Very high98.4Very high0 Ų028.1 Ų28.10%018%0.176CC..EExtended strand (participates in β ladder)trans-121.4116.6178.5-51.9-165.3000108.4F13 L161 A177 P179 V204 F208F13-I206 HydrophobicContact CB-CB 4.39Å; F13-I206 PolarHBondContact N-O 3.07Å; F13-I206 PolarHBondContact O-N 3.3Å; L161-I206 HydrophobicContact CD2-CD1 4.48Å; A177-I206 HydrophobicContact CB-CG1 4.42Å; A177-I206 WeakPolarHBondContact O-CA 3.33Å; P179-I206 HydrophobicContact CG-CG2 3.96Å; V204-I206 HydrophobicContact CG1-CG1 4.23Å; I206-F208 HydrophobicContact CB-CE2 4.47Å; I206-F208 HydrophobicContact CB-CZ 4.43Å; I206-F208 HydrophobicContact CG2-CE1 3.92Å; I206-F208 HydrophobicContact CG2-CE2 3.89Å; I206-F208 HydrophobicContact CG2-CZ 3.55Å
207V98.8Very high98.4Very high0 Ų022.6 Ų22.60%016%0.157CC..  trans-113.7124.8179.3-173.80000108.9N12 I14 E46 I47 A50 V176 A177 K178 V214N12-V207 WeakPolarHBondContact OD1-CA 3.4Å; I14-V207 HydrophobicContact CD1-CG2 4.15Å; I14-V207 HydrophobicContact CG1-CG2 4.27Å; E46-V207 HydrophobicContact CB-CG1 3.87Å; I47-V207 HydrophobicContact CD1-CB 4.03Å; I47-V207 HydrophobicContact CD1-CG1 4.13Å; I47-V207 HydrophobicContact CD1-CG2 4.14Å; A50-V207 HydrophobicContact CB-CG2 3.64Å; V176-V207 HydrophobicContact CG1-CG2 4.37Å; A177-V207 PolarHBondContact O-N 3.31Å; K178-V207 WeakPolarHBondContact CA-O 3.43Å; V207-V214 HydrophobicContact CB-CG1 4.04Å; V207-V214 HydrophobicContact CG1-CG1 3.73Å; V207-V214 HydrophobicContact CG1-CG2 4.25Å
208F98.7Very high98.4Very high0 Ų022.1 Ų22.10%015%0.153CC..  trans-99144.6-177-57.5-85.7000111.5E11 N12 V39 P40 S42 P179 S184 A187 W188 I206E11-F208 WeakPolarHBondContact O-CE2 2.96Å; N12-F208 PolarHBondContact OD1-N 3.39Å; V39-F208 HydrophobicContact CG1-CB 3.61Å; V39-F208 HydrophobicContact CG1-CD1 4.22Å; V39-F208 HydrophobicContact CG1-CG 4.19Å; P40-F208 HydrophobicContact CB-CB 4.04Å; P40-F208 HydrophobicContact CG-CB 4.07Å; P40-F208 HydrophobicContact CG-CD2 4.23Å; P40-F208 CarbonylContact O-C 3.48Å; P40-F208 VanDerWaalsContact O-C 3.31Å; P40-F208 VanDerWaalsContact O-O 3.11Å; S42-F208 WeakPolarHBondContact CB-O 3.33Å; S42-F208 PolarHBondContact N-O 3.25Å; S42-F208 PolarHBondContact OG-O 3.32Å; P179-F208 HydrophobicContact CG-CD1 3.61Å; P179-F208 HydrophobicContact CG-CE1 3.44Å; P179-F208 VanDerWaalsContact CG-CE1 3.44Å; P179-F208 HydrophobicContact CG-CZ 4.44Å; S184-F208 WeakPolarHBondContact OG-CD1 3.47Å; A187-F208 HydrophobicContact CB-CE1 4.18Å; W188-F208 HydrophobicContact CB-CE1 4.46Å; W188-F208 HydrophobicContact CB-CE2 4.44Å; W188-F208 HydrophobicContact CB-CZ 3.78Å; I206-F208 HydrophobicContact CB-CE2 4.47Å; I206-F208 HydrophobicContact CB-CZ 4.43Å; I206-F208 HydrophobicContact CG2-CE1 3.92Å; I206-F208 HydrophobicContact CG2-CE2 3.89Å; I206-F208 HydrophobicContact CG2-CZ 3.55Å
209G97.9Very high98.4Very high0 Ų020.2 Ų20.20%013%0.132CC..SBendtrans151.9-174.8177.200000111.7P40 K178P40-G209 WeakPolarHBondContact O-CA 3.46Å; P40-G209 PolarHBondContact O-N 3.44Å; K178-G209 WeakPolarHBondContact CE-O 3.39Å; K178-G209 PolarHBondContact NZ-O 2.91Å
210T98Very high98.4Very high31 Ų3121.7 Ų21.719%0.1914%0.144CC..  trans-75.6164.4-172.8730000113.2I25 T213 V214 G215I25-T210 HydrophobicContact CD1-CG2 3.44Å; I25-T210 VanDerWaalsContact CD1-CG2 3.44Å; T210-T213 PolarHBondContact N-OG1 3.06Å; T210-T213 PolarHBondContact OG1-N 3.36Å; T210-T213 PolarHBondContact OG1-OG1 3.48Å; T210-V214 PolarHBondContact O-N 3.06Å; T210-G215 PolarHBondContact O-N 3.25Å
211G97.3Very high98.4Very high29 Ų2920.9 Ų20.930%0.29914%0.137SC..Iπ-helixtrans-56.5-51.817100000112.9K178 T213 G215 E216K178-G211 VanDerWaalsContact NZ-N 3.19Å; G211-T213 VanDerWaalsContact C-N 3.32Å; G211-T213 PolarHBondContact O-N 2.89Å; G211-G215 CarbonylContact O-C 3.57Å; G211-G215 WeakPolarHBondContact O-CA 3.39Å; G211-G215 PolarHBondContact O-N 2.96Å; G211-E216 PolarHBondContact O-N 2.93Å
212P97.4Very high98.4Very high95 Ų9521.5 Ų21.562%0.61714%0.141SC*.Iπ-helixtrans-61-31.7179.1-29.137.4000115.5
213T96.7Very high98.4Very high55 Ų5524.8 Ų24.834%0.33716%0.156SC..Iπ-helixtrans-90.3-65.9-178.258.80000112.1S42 T210 G211 A217S42-T213 WeakPolarHBondContact O-CB 3.3Å; S42-T213 PolarHBondContact O-OG1 3.01Å; S42-T213 VanDerWaalsContact O-OG1 3.07Å; T210-T213 PolarHBondContact N-OG1 3.06Å; T210-T213 PolarHBondContact OG1-N 3.36Å; T210-T213 PolarHBondContact OG1-OG1 3.48Å; G211-T213 VanDerWaalsContact C-N 3.32Å; G211-T213 PolarHBondContact O-N 2.89Å; T213-A217 VanDerWaalsContact O-CB 3.26Å; T213-A217 WeakPolarHBondContact O-CB 3.47Å; T213-A217 PolarHBondContact O-N 3.15Å
214V98.3Very high98.4Very high0 Ų024.8 Ų24.80%016%0.156CC..Iπ-helixtrans-81-42.5-174.71800000111.1S42 I47 K178 V207 T210 L218S42-V214 WeakPolarHBondContact O-CG2 3.48Å; I47-V214 HydrophobicContact CD1-CG1 3.57Å; I47-V214 HydrophobicContact CG1-CG1 3.9Å; K178-V214 HydrophobicContact CB-CG1 4.1Å; K178-V214 HydrophobicContact CG-CB 4.16Å; K178-V214 HydrophobicContact CG-CG1 3.7Å; V207-V214 HydrophobicContact CB-CG1 4.04Å; V207-V214 HydrophobicContact CG1-CG1 3.73Å; V207-V214 HydrophobicContact CG1-CG2 4.25Å; T210-V214 PolarHBondContact O-N 3.06Å; V214-L218 WeakPolarHBondContact O-CB 3.15Å; V214-L218 PolarHBondContact O-N 3.14Å
215G98.4Very high98.4Very high6 Ų626.8 Ų26.86%0.06217%0.169CC..Iπ-helixtrans-63.2-51.4-178.300000112.9T210 G211 A217 L218 V219T210-G215 PolarHBondContact O-N 3.25Å; G211-G215 CarbonylContact O-C 3.57Å; G211-G215 WeakPolarHBondContact O-CA 3.39Å; G211-G215 PolarHBondContact O-N 2.96Å; G215-A217 PolarHBondContact O-N 3.29Å; G215-L218 PolarHBondContact O-N 3.38Å; G215-V219 WeakPolarHBondContact O-CB 3.46Å; G215-V219 WeakPolarHBondContact O-CG2 3.4Å; G215-V219 PolarHBondContact O-N 3.06Å
216E98.4Very high98.3Very high63 Ų6326.8 Ų26.829%0.29417%0.169SC..Hα-helixtrans-65.3-38.2178.8-67.6-158.8173.800112.6G211 V219 S220 R238 L242G211-E216 PolarHBondContact O-N 2.93Å; E216-V219 PolarHBondContact O-N 3.19Å; E216-S220 VanDerWaalsContact O-CB 3.28Å; E216-S220 WeakPolarHBondContact O-CB 3.34Å; E216-S220 PolarHBondContact O-N 2.99Å; E216-S220 PolarHBondContact O-OG 3.19Å; E216-R238 IonicContact OE1-CZ 3.94Å; E216-R238 IonicContact OE1-NE 2.85Å; E216-R238 PolarHBondContact OE1-NE 2.8Å; E216-R238 IonicContact OE1-NH2 3.73Å; E216-R238 PolarHBondContact OE1-NH2 3.1Å; E216-R238 IonicContact OE2-CZ 3Å; E216-R238 IonicContact OE2-NE 3.96Å; E216-R238 IonicContact OE2-NH2 3.91Å; E216-R238 PolarHBondContact OE2-NH2 3.31Å; E216-L242 HydrophobicContact CB-CD1 4.13Å; E216-L242 HydrophobicContact CG-CD1 3.95Å
217A98.7Very high98.3Very high23 Ų2326.8 Ų26.819%0.1917%0.169CC..Hα-helixtrans-61.1-44.8175.400000111.5K44 I47 T213 G215 H221K44-A217 HydrophobicContact CB-CB 4.4Å; I47-A217 HydrophobicContact CB-CB 4.25Å; I47-A217 HydrophobicContact CG1-CB 4.09Å; I47-A217 HydrophobicContact CG2-CB 4.25Å; T213-A217 VanDerWaalsContact O-CB 3.26Å; T213-A217 WeakPolarHBondContact O-CB 3.47Å; T213-A217 PolarHBondContact O-N 3.15Å; G215-A217 PolarHBondContact O-N 3.29Å; A217-H221 PolarHBondContact O-N 3.02Å
218L98.8Very high98.3Very high0 Ų026.9 Ų26.90%017%0.17CC..Hα-helixtrans-63.8-46.7177.4178.858.9000112.1I47 I151 V176 V214 G215 S220 H221 V224I47-L218 HydrophobicContact CD1-CB 3.98Å; I47-L218 HydrophobicContact CD1-CD1 4.44Å; I151-L218 HydrophobicContact CG1-CD2 4.21Å; V176-L218 HydrophobicContact CB-CD1 3.88Å; V176-L218 HydrophobicContact CG1-CD1 3.77Å; V176-L218 HydrophobicContact CG1-CD2 4.4Å; V214-L218 WeakPolarHBondContact O-CB 3.15Å; V214-L218 PolarHBondContact O-N 3.14Å; G215-L218 PolarHBondContact O-N 3.38Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.24Å; L218-H221 WeakPolarHBondContact O-CB 3.23Å; L218-H221 PolarHBondContact O-N 2.99Å; L218-V224 HydrophobicContact CD1-CG1 4.28Å; L218-V224 HydrophobicContact CD1-CG2 4.08Å
219V98.8Very high98.3Very high1 Ų127.4 Ų27.41%0.00617%0.172CC..Hα-helixtrans-67.4-34.8-177.11740000111.9I151 G215 E216 H221 I227 I239 L242 S243 K248I151-V219 HydrophobicContact CD1-CG2 3.69Å; G215-V219 WeakPolarHBondContact O-CB 3.46Å; G215-V219 WeakPolarHBondContact O-CG2 3.4Å; G215-V219 PolarHBondContact O-N 3.06Å; E216-V219 PolarHBondContact O-N 3.19Å; V219-H221 VanDerWaalsContact C-N 3.3Å; V219-I227 HydrophobicContact CG2-CD1 4.27Å; V219-I227 HydrophobicContact CG2-CG1 4.46Å; V219-I227 HydrophobicContact CG2-CG2 4.29Å; V219-I239 HydrophobicContact CG1-CB 4.33Å; V219-I239 HydrophobicContact CG1-CG1 4.42Å; V219-I239 HydrophobicContact CG1-CG2 3.96Å; V219-I239 HydrophobicContact CG2-CG1 4Å; V219-I239 HydrophobicContact CG2-CG2 4.34Å; V219-L242 HydrophobicContact CG1-CB 3.7Å; V219-L242 HydrophobicContact CG1-CD1 4.37Å; V219-S243 WeakPolarHBondContact CG1-OG 3.46Å; V219-K248 WeakPolarHBondContact O-CE 3.43Å
220S98.5Very high98.4Very high44 Ų4428 Ų2831%0.30818%0.176SC..THydrogen-bonded Turntrans-85-4.1-179.6-48.20000113E216 L218E216-S220 VanDerWaalsContact O-CB 3.28Å; E216-S220 WeakPolarHBondContact O-CB 3.34Å; E216-S220 PolarHBondContact O-N 2.99Å; E216-S220 PolarHBondContact O-OG 3.19Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.24Å
221H98.8Very high98.4Very high12 Ų1227.7 Ų27.76%0.05618%0.179CC..  trans-71.1125.3-174.1-162.9-73.3000111.2E48 V51 A217 L218 V219 E223 V224 K248E48-H221 IonicContact OE1-NE2 2.61Å; E48-H221 IonicContact OE2-CD2 2.7Å; E48-H221 IonicContact OE2-NE2 2.75Å; E48-H221 PolarHBondContact OE2-NE2 3.42Å; V51-H221 WeakPolarHBondContact CG1-CE1 3.37Å; A217-H221 PolarHBondContact O-N 3.02Å; L218-H221 WeakPolarHBondContact O-CB 3.23Å; L218-H221 PolarHBondContact O-N 2.99Å; V219-H221 VanDerWaalsContact C-N 3.3Å; H221-E223 VanDerWaalsContact C-N 3.28Å; H221-E223 IonicContact CE1-OE2 3.76Å; H221-E223 PolarHBondContact ND1-N 3.35Å; H221-E223 VanDerWaalsContact ND1-N 3.18Å; H221-E223 PolarHBondContact O-N 3.04Å; H221-V224 HydrophobicContact CB-CB 4.32Å; H221-V224 HydrophobicContact CB-CG2 3.83Å; H221-V224 PolarHBondContact O-N 3.37Å; H221-K248 WeakPolarHBondContact O-CE 3.32Å; H221-K248 PolarHBondContact O-NZ 2.61Å
222P98.3Very high98.3Very high89 Ų8928.8 Ų28.858%0.57818%0.182SC*.THydrogen-bonded Turntrans-63.2-32.5-174.123.3-33.3000113.1V224P222-V224 VanDerWaalsContact C-N 3.3Å; P222-V224 PolarHBondContact O-N 3.33Å
223E98.6Very high98.2Very high70 Ų7025.7 Ų25.733%0.32716%0.159SC..THydrogen-bonded Turntrans-85.59-178.4-56-170.5100.300115.3V51 R55 H221 P225V51-E223 HydrophobicContact CG1-CB 4.03Å; R55-E223 WeakPolarHBondContact CD-OE1 3.38Å; R55-E223 IonicContact CZ-OE1 3.76Å; R55-E223 IonicContact CZ-OE2 3.39Å; R55-E223 IonicContact NE-OE1 3.88Å; R55-E223 IonicContact NH1-OE1 2.78Å; R55-E223 PolarHBondContact NH1-OE1 2.86Å; R55-E223 IonicContact NH1-OE2 3.15Å; R55-E223 PolarHBondContact NH1-OE2 3.38Å; H221-E223 VanDerWaalsContact C-N 3.28Å; H221-E223 IonicContact CE1-OE2 3.76Å; H221-E223 PolarHBondContact ND1-N 3.35Å; H221-E223 VanDerWaalsContact ND1-N 3.18Å; H221-E223 PolarHBondContact O-N 3.04Å; E223-P225 WeakPolarHBondContact O-CD 3.24Å
224V98.8Very high98.2Very high0 Ų027.4 Ų27.40%017%0.171CC..  trans-10986.4176.8-1800000108.8V51 V147 L218 H221 P222 L226 I227 K248V51-V224 HydrophobicContact CG1-CG2 4.15Å; V51-V224 HydrophobicContact CG2-CG2 3.69Å; V147-V224 HydrophobicContact CG1-CG2 4.17Å; L218-V224 HydrophobicContact CD1-CG1 4.28Å; L218-V224 HydrophobicContact CD1-CG2 4.08Å; H221-V224 HydrophobicContact CB-CB 4.32Å; H221-V224 HydrophobicContact CB-CG2 3.83Å; H221-V224 PolarHBondContact O-N 3.37Å; P222-V224 VanDerWaalsContact C-N 3.3Å; P222-V224 PolarHBondContact O-N 3.33Å; V224-L226 PolarHBondContact O-N 3.36Å; V224-I227 HydrophobicContact CG1-CD1 3.69Å; V224-K248 VanDerWaalsContact O-CD 3.26Å; V224-K248 WeakPolarHBondContact O-CD 3.49Å; V224-K248 WeakPolarHBondContact O-CE 3.46Å; V224-K248 PolarHBondContact O-NZ 2.82Å
225P98.6Very high98.1Very high45 Ų4530.4 Ų30.429%0.29219%0.19SC..  trans-71.9-9.8-169.825.4-35.7000115.4V145 V147 E223 K248 K249V145-P225 HydrophobicContact CG1-CB 3.96Å; V145-P225 HydrophobicContact CG1-CG 3.81Å; V147-P225 WeakPolarHBondContact O-CD 3.34Å; E223-P225 WeakPolarHBondContact O-CD 3.24Å; P225-K248 CarbonylContact O-C 3.55Å; P225-K248 WeakPolarHBondContact O-CA 3.31Å; P225-K248 WeakPolarHBondContact O-CB 3.38Å; P225-K249 PolarHBondContact O-N 2.91Å
226L98.7Very high98.1Very high0 Ų030.2 Ų30.20%019%0.188CC..EExtended strand (participates in β ladder)trans-142.9140.8-178.567.9169.4000112.1V145 V147 A148 G149 V224 K249 F476 F477V145-L226 HydrophobicContact CB-CD1 4.12Å; V145-L226 HydrophobicContact CB-CD2 3.9Å; V145-L226 HydrophobicContact CG1-CD1 4.47Å; V145-L226 HydrophobicContact CG1-CD2 3.77Å; V145-L226 HydrophobicContact CG1-CG 4.49Å; V145-L226 HydrophobicContact CG2-CD1 4.27Å; V147-L226 VanDerWaalsContact O-CD2 3.29Å; V147-L226 WeakPolarHBondContact O-CD2 3.48Å; A148-L226 HydrophobicContact CB-CD1 4.06Å; A148-L226 HydrophobicContact CB-CD2 3.95Å; A148-L226 HydrophobicContact CB-CG 3.89Å; G149-L226 PolarHBondContact N-O 3.26Å; V224-L226 PolarHBondContact O-N 3.36Å; L226-K249 CarbonylContact C-O 3.59Å; L226-K249 WeakPolarHBondContact CA-O 3.36Å; L226-K249 HydrophobicContact CB-CB 3.9Å; L226-F476 HydrophobicContact CB-CE1 4.41Å; L226-F476 HydrophobicContact CB-CZ 3.99Å; L226-F476 HydrophobicContact CD1-CD1 4.36Å; L226-F476 HydrophobicContact CD1-CE1 3.91Å; L226-F476 HydrophobicContact CD1-CZ 4.3Å; L226-F476 HydrophobicContact CG-CE1 4.5Å; L226-F477 HydrophobicContact CD1-CD1 3.59Å; L226-F477 HydrophobicContact CD1-CE1 4.01Å
227I98.8Very high98.1Very high0 Ų031.9 Ų31.90%020%0.196CC..EExtended strand (participates in β ladder)trans-124.9122.4176.7-56.9-64000109.8G149 V219 V224 F229 I239 K248 K249 L250 S251 F476G149-I227 WeakPolarHBondContact O-CA 3.43Å; V219-I227 HydrophobicContact CG2-CD1 4.27Å; V219-I227 HydrophobicContact CG2-CG1 4.46Å; V219-I227 HydrophobicContact CG2-CG2 4.29Å; V224-I227 HydrophobicContact CG1-CD1 3.69Å; I227-F229 HydrophobicContact CG2-CB 4.49Å; I227-I239 HydrophobicContact CG2-CG2 4Å; I227-K248 HydrophobicContact CG1-CD 4.1Å; I227-K249 PolarHBondContact N-O 3.26Å; I227-L250 HydrophobicContact CB-CD2 3.86Å; I227-L250 HydrophobicContact CG1-CD2 4.44Å; I227-L250 WeakPolarHBondContact O-CA 3.49Å; I227-S251 PolarHBondContact O-N 3.45Å; I227-F476 WeakPolarHBondContact O-CZ 3.26Å
228S98.7Very high98.1Very high2 Ų235.4 Ų35.41%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-106.6119.6166.1-175.30000109.5G149 I151 K164 S251G149-S228 PolarHBondContact O-N 3.48Å; I151-S228 PolarHBondContact N-O 3.08Å; K164-S228 PolarHBondContact NZ-OG 3.34Å; S228-S251 CarbonylContact C-O 3.49Å; S228-S251 WeakPolarHBondContact CA-O 3.43Å
229F98.8Very high98.1Very high10 Ų1035.8 Ų35.84%0.04421%0.206CC..EExtended strand (participates in β ladder)trans-125.5138.3-176.5169.7-104.7000110.5I151 I227 G231 T235 A236 I239 S251 L252 E253 L254I151-F229 HydrophobicContact CB-CD2 3.84Å; I151-F229 HydrophobicContact CG2-CD2 3.58Å; I151-F229 HydrophobicContact CG2-CE2 3.93Å; I151-F229 WeakPolarHBondContact O-CA 3.38Å; I227-F229 HydrophobicContact CG2-CB 4.49Å; F229-G231 VanDerWaalsContact CZ-CA 3.43Å; F229-T235 HydrophobicContact CE1-CG2 4.32Å; F229-T235 HydrophobicContact CE2-CG2 3.73Å; F229-T235 HydrophobicContact CZ-CG2 3.51Å; F229-A236 HydrophobicContact CD1-CB 4.18Å; F229-A236 HydrophobicContact CE1-CB 4.03Å; F229-I239 HydrophobicContact CB-CD1 3.76Å; F229-I239 HydrophobicContact CD1-CD1 3.83Å; F229-I239 HydrophobicContact CD2-CD1 3.41Å; F229-I239 VanDerWaalsContact CD2-CD1 3.41Å; F229-I239 HydrophobicContact CE1-CD1 4.27Å; F229-I239 HydrophobicContact CE2-CD1 3.91Å; F229-I239 HydrophobicContact CG-CD1 3.37Å; F229-I239 HydrophobicContact CZ-CD1 4.3Å; F229-S251 PolarHBondContact N-O 3.48Å; F229-L252 HydrophobicContact CB-CD2 3.94Å; F229-L252 HydrophobicContact CD1-CD2 4.29Å; F229-L252 WeakPolarHBondContact O-CA 3.33Å; F229-E253 PolarHBondContact O-N 3.32Å; F229-L254 HydrophobicContact CD1-CD2 3.87Å; F229-L254 HydrophobicContact CE1-CD2 3.66Å
230T98.7Very high98Very high13 Ų1338.3 Ų38.38%0.0822%0.221CC..EExtended strand (participates in β ladder)trans-125.5127.8164.3-57.30000109.7I151 P153 L160 K164 E253I151-T230 PolarHBondContact O-N 2.82Å; I151-T230 VanDerWaalsContact O-N 3.12Å; P153-T230 HydrophobicContact CG-CG2 3.86Å; L160-T230 HydrophobicContact CD1-CG2 4.29Å; K164-T230 WeakPolarHBondContact CE-OG1 3.42Å; K164-T230 PolarHBondContact NZ-OG1 3.07Å; T230-E253 WeakPolarHBondContact CA-O 3.33Å; T230-E253 HydrophobicContact CG2-CB 3.95Å; T230-E253 WeakPolarHBondContact CG2-O 3.01Å; T230-E253 WeakPolarHBondContact OG1-CB 3.34Å
231G97.6Very high98Very high24 Ų2442.1 Ų42.125%0.24723%0.234CC..SBendtrans161.1-145.8-179.700000114.1F229 E253 L254F229-G231 VanDerWaalsContact CZ-CA 3.43Å; G231-E253 PolarHBondContact N-O 3.08Å; G231-L254 WeakPolarHBondContact O-CA 3.44Å; G231-L254 WeakPolarHBondContact O-CD2 3.42Å
232S96.4Very high98Very high53 Ų5343 Ų4337%0.37124%0.239SC..  trans-79.4149.6-171.787.60000113.4T235 A236S232-T235 PolarHBondContact O-N 3.07Å; S232-T235 PolarHBondContact OG-N 2.87Å; S232-T235 PolarHBondContact OG-OG1 2.83Å; S232-A236 PolarHBondContact O-N 3.42Å
233Q94.9Very high98Very high30 Ų3038.8 Ų38.814%0.1421%0.212CC..Hα-helixtrans-57.8-46.6176.1-179.5-168.8-19.700113.1T235 A236 E237 L254Q233-T235 VanDerWaalsContact C-N 3.26Å; Q233-T235 PolarHBondContact O-N 2.62Å; Q233-A236 WeakPolarHBondContact O-CA 3.45Å; Q233-A236 WeakPolarHBondContact O-CB 3.23Å; Q233-A236 PolarHBondContact O-N 3.38Å; Q233-E237 PolarHBondContact NE2-OE1 2.96Å; Q233-E237 PolarHBondContact O-N 3.3Å; Q233-L254 HydrophobicContact CB-CD1 4.46Å
234P96Very high98Very high91 Ų9138.6 Ų38.659%0.59122%0.222SC*.Hα-helixtrans-58.2-37.5177.5-26.735.6000113.4R238P234-R238 PolarHBondContact O-N 2.91Å; P234-R238 VanDerWaalsContact O-N 3.16Å
235T97.9Very high97.9Very high62 Ų6243.4 Ų43.438%0.3825%0.254SS..Hα-helixtrans-66.5-39.3174.7-50.60000111.4F229 S232 Q233 R238 I239F229-T235 HydrophobicContact CE1-CG2 4.32Å; F229-T235 HydrophobicContact CE2-CG2 3.73Å; F229-T235 HydrophobicContact CZ-CG2 3.51Å; S232-T235 PolarHBondContact O-N 3.07Å; S232-T235 PolarHBondContact OG-N 2.87Å; S232-T235 PolarHBondContact OG-OG1 2.83Å; Q233-T235 VanDerWaalsContact C-N 3.26Å; Q233-T235 PolarHBondContact O-N 2.62Å; T235-R238 WeakPolarHBondContact O-CB 3.16Å; T235-R238 PolarHBondContact O-N 3.5Å; T235-I239 HydrophobicContact CG2-CD1 4.08Å; T235-I239 HydrophobicContact CG2-CG1 4.49Å; T235-I239 VanDerWaalsContact O-CG1 3.29Å; T235-I239 WeakPolarHBondContact O-CG1 3.2Å; T235-I239 PolarHBondContact O-N 3.49Å
236A97.8Very high97.9Very high3 Ų345.1 Ų45.13%0.02526%0.258CS..Hα-helixtrans-65.6-38.8178.200000112.9F229 S232 Q233 R238 I239 T240 L252 L254F229-A236 HydrophobicContact CD1-CB 4.18Å; F229-A236 HydrophobicContact CE1-CB 4.03Å; S232-A236 PolarHBondContact O-N 3.42Å; Q233-A236 WeakPolarHBondContact O-CA 3.45Å; Q233-A236 WeakPolarHBondContact O-CB 3.23Å; Q233-A236 PolarHBondContact O-N 3.38Å; A236-R238 VanDerWaalsContact C-N 3.35Å; A236-I239 PolarHBondContact O-N 2.89Å; A236-T240 WeakPolarHBondContact O-CB 3.49Å; A236-T240 PolarHBondContact O-N 3.4Å; A236-T240 PolarHBondContact O-OG1 2.98Å; A236-L252 HydrophobicContact CB-CD1 4.25Å; A236-L254 HydrophobicContact CB-CD1 3.63Å; A236-L254 HydrophobicContact CB-CD2 3.4Å; A236-L254 VanDerWaalsContact CB-CD2 3.4Å; A236-L254 HydrophobicContact CB-CG 4.16Å
237E97.6Very high97.8Very high98 Ų9850.8 Ų50.846%0.45830%0.296SS..Hα-helixtrans-60.3-46.7173.1-71.5170.3-167.700110.5Q233 I239 T240 Q241Q233-E237 PolarHBondContact NE2-OE1 2.96Å; Q233-E237 PolarHBondContact O-N 3.3Å; E237-I239 PolarHBondContact O-N 2.69Å; E237-T240 PolarHBondContact O-N 2.8Å; E237-Q241 WeakPolarHBondContact O-CG 3.34Å; E237-Q241 PolarHBondContact O-N 2.8Å
238R98.3Very high97.8Very high97 Ų9751.6 Ų51.637%0.36630%0.299SS..Hα-helixtrans-60-45.3174.3179.459.9174.1157.34112.2E216 P234 T235 A236 T240 Q241 L242E216-R238 IonicContact OE1-CZ 3.94Å; E216-R238 IonicContact OE1-NE 2.85Å; E216-R238 PolarHBondContact OE1-NE 2.8Å; E216-R238 IonicContact OE1-NH2 3.73Å; E216-R238 PolarHBondContact OE1-NH2 3.1Å; E216-R238 IonicContact OE2-CZ 3Å; E216-R238 IonicContact OE2-NE 3.96Å; E216-R238 IonicContact OE2-NH2 3.91Å; E216-R238 PolarHBondContact OE2-NH2 3.31Å; P234-R238 PolarHBondContact O-N 2.91Å; P234-R238 VanDerWaalsContact O-N 3.16Å; T235-R238 WeakPolarHBondContact O-CB 3.16Å; T235-R238 PolarHBondContact O-N 3.5Å; A236-R238 VanDerWaalsContact C-N 3.35Å; R238-T240 VanDerWaalsContact C-N 3.3Å; R238-T240 PolarHBondContact O-N 3.04Å; R238-Q241 PolarHBondContact O-N 3.28Å; R238-L242 HydrophobicContact CG-CD1 4.21Å; R238-L242 WeakPolarHBondContact O-CG 3.18Å; R238-L242 PolarHBondContact O-N 2.7Å
239I98.6Very high97.8Very high7 Ų754.1 Ų54.14%0.03631%0.31CS..Hα-helixtrans-59.4-44176.8-72.9170.4000110.8I151 V219 I227 F229 T235 A236 E237 L242 S243 L250 L252I151-I239 HydrophobicContact CD1-CD1 4.39Å; V219-I239 HydrophobicContact CG1-CB 4.33Å; V219-I239 HydrophobicContact CG1-CG1 4.42Å; V219-I239 HydrophobicContact CG1-CG2 3.96Å; V219-I239 HydrophobicContact CG2-CG1 4Å; V219-I239 HydrophobicContact CG2-CG2 4.34Å; I227-I239 HydrophobicContact CG2-CG2 4Å; F229-I239 HydrophobicContact CB-CD1 3.76Å; F229-I239 HydrophobicContact CD1-CD1 3.83Å; F229-I239 HydrophobicContact CD2-CD1 3.41Å; F229-I239 VanDerWaalsContact CD2-CD1 3.41Å; F229-I239 HydrophobicContact CE1-CD1 4.27Å; F229-I239 HydrophobicContact CE2-CD1 3.91Å; F229-I239 HydrophobicContact CG-CD1 3.37Å; F229-I239 HydrophobicContact CZ-CD1 4.3Å; T235-I239 HydrophobicContact CG2-CD1 4.08Å; T235-I239 HydrophobicContact CG2-CG1 4.49Å; T235-I239 VanDerWaalsContact O-CG1 3.29Å; T235-I239 WeakPolarHBondContact O-CG1 3.2Å; T235-I239 PolarHBondContact O-N 3.49Å; A236-I239 PolarHBondContact O-N 2.89Å; E237-I239 PolarHBondContact O-N 2.69Å; I239-L242 PolarHBondContact O-N 3.18Å; I239-S243 WeakPolarHBondContact O-CB 3.12Å; I239-S243 PolarHBondContact O-N 2.92Å; I239-S243 PolarHBondContact O-OG 3.15Å; I239-L250 HydrophobicContact CG2-CD2 4.1Å; I239-L252 HydrophobicContact CG2-CD2 4.34Å
240T98.4Very high97.7Very high55 Ų5555.2 Ų55.234%0.33732%0.316SS..Hα-helixtrans-61.9-45.6179.7-57.20000111A236 E237 R238 L242 S243 A244 L250A236-T240 WeakPolarHBondContact O-CB 3.49Å; A236-T240 PolarHBondContact O-N 3.4Å; A236-T240 PolarHBondContact O-OG1 2.98Å; E237-T240 PolarHBondContact O-N 2.8Å; R238-T240 VanDerWaalsContact C-N 3.3Å; R238-T240 PolarHBondContact O-N 3.04Å; T240-L242 PolarHBondContact O-N 2.81Å; T240-S243 PolarHBondContact O-N 3.04Å; T240-A244 PolarHBondContact O-N 3.25Å; T240-L250 HydrophobicContact CG2-CD1 4.1Å
241Q98.5Very high97.7Very high124 Ų12454.7 Ų54.758%0.57931%0.313SS*.Hα-helixtrans-59.8-45.1176.8-70.6168.2-200112.4E237 R238 S243 P245E237-Q241 WeakPolarHBondContact O-CG 3.34Å; E237-Q241 PolarHBondContact O-N 2.8Å; R238-Q241 PolarHBondContact O-N 3.28Å; Q241-S243 VanDerWaalsContact C-N 3.31Å; Q241-S243 PolarHBondContact O-N 2.9Å; Q241-P245 WeakPolarHBondContact O-CD 3.43Å
242L98.4Very high97.7Very high29 Ų2953.7 Ų53.715%0.15230%0.302CS..Hα-helixtrans-70.8-27.5179.2-69.2176.1000112.9E216 V219 R238 I239 T240E216-L242 HydrophobicContact CB-CD1 4.13Å; E216-L242 HydrophobicContact CG-CD1 3.95Å; V219-L242 HydrophobicContact CG1-CB 3.7Å; V219-L242 HydrophobicContact CG1-CD1 4.37Å; R238-L242 HydrophobicContact CG-CD1 4.21Å; R238-L242 WeakPolarHBondContact O-CG 3.18Å; R238-L242 PolarHBondContact O-N 2.7Å; I239-L242 PolarHBondContact O-N 3.18Å; T240-L242 PolarHBondContact O-N 2.81Å
243S98.3Very high97.8Very high2 Ų251.4 Ų51.41%0.01429%0.285CS..Hα-helixtrans-82.7-27.6-179.4-62.70000113.3V219 I239 T240 Q241 H246 C247V219-S243 WeakPolarHBondContact CG1-OG 3.46Å; I239-S243 WeakPolarHBondContact O-CB 3.12Å; I239-S243 PolarHBondContact O-N 2.92Å; I239-S243 PolarHBondContact O-OG 3.15Å; T240-S243 PolarHBondContact O-N 3.04Å; Q241-S243 VanDerWaalsContact C-N 3.31Å; Q241-S243 PolarHBondContact O-N 2.9Å; S243-H246 PolarHBondContact O-N 2.96Å; S243-H246 VanDerWaalsContact O-N 3.09Å; S243-C247 PolarHBondContact O-N 3.48Å
244A98.1Very high98Very high65 Ų6550.6 Ų50.654%0.53728%0.282SS..G310 helixtrans-56.3-43.2-174.300000114.3T240 H246 C247T240-A244 PolarHBondContact O-N 3.25Å; A244-H246 PolarHBondContact O-N 3.33Å; A244-C247 PolarHBondContact O-N 3.43Å; A244-C247 VanDerWaalsContact O-N 3.16Å
245P97.8Very high98Very high102 Ų10246.4 Ų46.466%0.66226%0.255SS*.G310 helixtrans-60.5-18.5178.1-25.135.7000114.8Q241Q241-P245 WeakPolarHBondContact O-CD 3.43Å
246H97Very high97.9Very high81 Ų8143.5 Ų43.538%0.37524%0.238SC..G310 helixtrans-112.24-177.4-57.9-69.6000113.2S243 A244 K248S243-H246 PolarHBondContact O-N 2.96Å; S243-H246 VanDerWaalsContact O-N 3.09Å; A244-H246 PolarHBondContact O-N 3.33Å; H246-K248 HydrophobicContact CB-CD 4.4Å; H246-K248 HydrophobicContact CB-CG 3.78Å; H246-K248 PolarHBondContact O-N 3.15Å; H246-K248 VanDerWaalsContact O-N 3.17Å
247C97.2Very high97.9Very high119 Ų11943.4 Ų43.480%0.80424%0.237SC*.THydrogen-bonded Turntrans50.538.3-177.5-59.90000113.6S243 A244S243-C247 PolarHBondContact O-N 3.48Å; A244-C247 PolarHBondContact O-N 3.43Å; A244-C247 VanDerWaalsContact O-N 3.16Å
248K98.4Very high98Very high17 Ų1739 Ų397%0.07422%0.216CC..  trans-66.7146.8-175.7-52.5-175.1179-57.10111.3V219 H221 V224 P225 I227 H246V219-K248 WeakPolarHBondContact O-CE 3.43Å; H221-K248 WeakPolarHBondContact O-CE 3.32Å; H221-K248 PolarHBondContact O-NZ 2.61Å; V224-K248 VanDerWaalsContact O-CD 3.26Å; V224-K248 WeakPolarHBondContact O-CD 3.49Å; V224-K248 WeakPolarHBondContact O-CE 3.46Å; V224-K248 PolarHBondContact O-NZ 2.82Å; P225-K248 CarbonylContact O-C 3.55Å; P225-K248 WeakPolarHBondContact O-CA 3.31Å; P225-K248 WeakPolarHBondContact O-CB 3.38Å; I227-K248 HydrophobicContact CG1-CD 4.1Å; H246-K248 HydrophobicContact CB-CD 4.4Å; H246-K248 HydrophobicContact CB-CG 3.78Å; H246-K248 PolarHBondContact O-N 3.15Å; H246-K248 VanDerWaalsContact O-N 3.17Å
249K98.3Very high98Very high54 Ų5434.5 Ų34.524%0.23520%0.2CC..EExtended strand (participates in β ladder)trans-68.8134.3166.8-58.1179.786.3164.90109.2V145 P225 L226 I227 D475 F476 T478 E479V145-K249 HydrophobicContact CG1-CD 4.31Å; V145-K249 HydrophobicContact CG2-CD 4.04Å; P225-K249 PolarHBondContact O-N 2.91Å; L226-K249 CarbonylContact C-O 3.59Å; L226-K249 WeakPolarHBondContact CA-O 3.36Å; L226-K249 HydrophobicContact CB-CB 3.9Å; I227-K249 PolarHBondContact N-O 3.26Å; K249-D475 PolarHBondContact NZ-O 3.19Å; K249-F476 HydrophobicContact CB-CD2 4.28Å; K249-F476 HydrophobicContact CB-CE2 3.65Å; K249-F476 HydrophobicContact CB-CZ 4.31Å; K249-F476 VanDerWaalsContact CE-O 3.3Å; K249-F476 WeakPolarHBondContact CE-O 3.19Å; K249-F476 PolarHBondContact NZ-O 3.46Å; K249-T478 PolarHBondContact NZ-O 2.79Å; K249-E479 VanDerWaalsContact CD-OE1 3.22Å; K249-E479 WeakPolarHBondContact CD-OE1 3.44Å; K249-E479 WeakPolarHBondContact CE-OE1 2.89Å; K249-E479 IonicContact NZ-OE1 3.86Å; K249-E479 PolarHBondContact NZ-OE1 3.06Å
250L98.3Very high98Very high33 Ų3334.2 Ų34.217%0.17320%0.198CC..EExtended strand (participates in β ladder)trans-119.8129.3179-62.5179.9000111.3I227 I239 T240 L252I227-L250 HydrophobicContact CB-CD2 3.86Å; I227-L250 HydrophobicContact CG1-CD2 4.44Å; I227-L250 WeakPolarHBondContact O-CA 3.49Å; I239-L250 HydrophobicContact CG2-CD2 4.1Å; T240-L250 HydrophobicContact CG2-CD1 4.1Å; L250-L252 HydrophobicContact CB-CD1 4.48Å; L250-L252 HydrophobicContact CB-CD2 4.35Å; L250-L252 HydrophobicContact CB-CG 4.18Å
251S98.1Very high98.1Very high2 Ų231.6 Ų31.61%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-118.6110.6164.9-175.70000107.2I227 S228 F229 I465 F476I227-S251 PolarHBondContact O-N 3.45Å; S228-S251 CarbonylContact C-O 3.49Å; S228-S251 WeakPolarHBondContact CA-O 3.43Å; F229-S251 PolarHBondContact N-O 3.48Å; S251-I465 CarbonylContact C-O 3.57Å; S251-I465 WeakPolarHBondContact CA-O 3.37Å; S251-F476 VanDerWaalsContact N-CE2 3.35Å
252L98.4Very high98.1Very high3 Ų325.7 Ų25.72%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-119.9113.4-172.3-53.3178.3000108.8F229 A236 I239 L250 L254 G464 I465F229-L252 HydrophobicContact CB-CD2 3.94Å; F229-L252 HydrophobicContact CD1-CD2 4.29Å; F229-L252 WeakPolarHBondContact O-CA 3.33Å; A236-L252 HydrophobicContact CB-CD1 4.25Å; I239-L252 HydrophobicContact CG2-CD2 4.34Å; L250-L252 HydrophobicContact CB-CD1 4.48Å; L250-L252 HydrophobicContact CB-CD2 4.35Å; L250-L252 HydrophobicContact CB-CG 4.18Å; L252-L254 HydrophobicContact CB-CD2 4.35Å; L252-L254 HydrophobicContact CB-CG 4.36Å; L252-G464 CarbonylContact O-C 3.5Å; L252-G464 WeakPolarHBondContact O-CA 3.36Å; L252-I465 HydrophobicContact CB-CB 4.44Å; L252-I465 HydrophobicContact CD1-CB 4.43Å; L252-I465 HydrophobicContact CD1-CD1 4.12Å; L252-I465 HydrophobicContact CD1-CG1 4.41Å; L252-I465 HydrophobicContact CG-CB 4.5Å; L252-I465 PolarHBondContact N-O 2.73Å; L252-I465 PolarHBondContact O-N 3.44Å
253E98.3Very high98.1Very high5 Ų524.4 Ų24.42%0.02315%0.148CC..EExtended strand (participates in β ladder)trans-107.9111.1174.5-71.2-62.7149.600109.4F229 T230 G231 G458 E468F229-E253 PolarHBondContact O-N 3.32Å; T230-E253 WeakPolarHBondContact CA-O 3.33Å; T230-E253 HydrophobicContact CG2-CB 3.95Å; T230-E253 WeakPolarHBondContact CG2-O 3.01Å; T230-E253 WeakPolarHBondContact OG1-CB 3.34Å; G231-E253 PolarHBondContact N-O 3.08Å; E253-G458 WeakPolarHBondContact OE1-CA 3.08Å; E253-G458 VanDerWaalsContact OE2-CA 3.24Å; E253-G458 WeakPolarHBondContact OE2-CA 3.48Å; E253-E468 HydrophobicContact CG-CG 4.26Å
254L97.8Very high98.1Very high13 Ų1328.9 Ų28.97%0.06817%0.168CC..  trans-117.8-175.2-166.8-49.2177.7000112.5F229 G231 Q233 A236 L252 S462 S463F229-L254 HydrophobicContact CD1-CD2 3.87Å; F229-L254 HydrophobicContact CE1-CD2 3.66Å; G231-L254 WeakPolarHBondContact O-CA 3.44Å; G231-L254 WeakPolarHBondContact O-CD2 3.42Å; Q233-L254 HydrophobicContact CB-CD1 4.46Å; A236-L254 HydrophobicContact CB-CD1 3.63Å; A236-L254 HydrophobicContact CB-CD2 3.4Å; A236-L254 VanDerWaalsContact CB-CD2 3.4Å; A236-L254 HydrophobicContact CB-CG 4.16Å; L252-L254 HydrophobicContact CB-CD2 4.35Å; L252-L254 HydrophobicContact CB-CG 4.36Å; L254-S462 WeakPolarHBondContact CD1-O 3.48Å; L254-S463 WeakPolarHBondContact CA-O 3.17Å; L254-S463 WeakPolarHBondContact CB-O 3.39Å; L254-S463 PolarHBondContact N-O 3.36Å
255G96.1Very high98.1Very high3 Ų327.8 Ų27.83%0.03115%0.154CC..  trans-65.4167.5-179.800000114.6E391 Y417 S463G255-E391 WeakPolarHBondContact CA-OE1 3.43Å; G255-E391 VanDerWaalsContact CA-OE2 3.29Å; G255-E391 WeakPolarHBondContact CA-OE2 3.49Å; G255-Y417 VanDerWaalsContact O-CD1 3.25Å; G255-Y417 WeakPolarHBondContact O-CD1 3.39Å; G255-S463 WeakPolarHBondContact O-CB 3.38Å; G255-S463 PolarHBondContact O-OG 3.32Å
256G96.9Very high98.2Very high1 Ų123.4 Ų23.41%0.0113%0.126CC..  trans-135.5164.2179.400000113.3E391G256-E391 PolarHBondContact N-OE1 2.58Å; G256-E391 WeakPolarHBondContact O-CB 3.48Å; G256-E391 WeakPolarHBondContact O-CG 2.89Å
257K98.2Very high98.2Very high2 Ų222.9 Ų22.91%0.00913%0.126CC..  trans-130.263.4164.6-166.270.4-173.5-1780110.1S291 R292 C387 M388 E390 Y417K257-S291 WeakPolarHBondContact CD-OG 3.3Å; K257-R292 HydrophobicContact CD-CG 4.45Å; K257-R292 HydrophobicContact CG-CG 4.01Å; K257-R292 PolarHBondContact O-NE 3.36Å; K257-R292 PolarHBondContact O-NH2 2.98Å; K257-C387 WeakPolarHBondContact CE-O 3.17Å; K257-C387 PolarHBondContact NZ-O 3.18Å; K257-M388 WeakPolarHBondContact CG-O 3.47Å; K257-E390 VanDerWaalsContact CD-O 3.24Å; K257-E390 WeakPolarHBondContact CD-O 3.29Å; K257-E390 WeakPolarHBondContact CE-O 3.35Å; K257-E390 PolarHBondContact NZ-O 3.03Å; K257-Y417 HydrophobicContact CB-CD2 3.65Å; K257-Y417 HydrophobicContact CB-CE2 4.33Å; K257-Y417 HydrophobicContact CB-CG 4.34Å
258N98.6Very high98.3Very high5 Ų518.4 Ų18.43%0.0279%0.094CC..EExtended strand (participates in β ladder)trans-69.8126.1-159.4-49.6-53.6000111.5C287 L288 C289 S291 R292 A420N258-C287 PolarHBondContact ND2-O 2.59Å; N258-L288 WeakPolarHBondContact ND2-CA 3.31Å; N258-C289 WeakPolarHBondContact CB-O 3.41Å; N258-C289 PolarHBondContact ND2-O 2.65Å; N258-S291 PolarHBondContact O-N 3.34Å; N258-R292 PolarHBondContact O-N 2.81Å; N258-A420 WeakPolarHBondContact CA-O 3.33Å; N258-A420 HydrophobicContact CB-CB 4.42Å; N258-A420 WeakPolarHBondContact CB-O 3.38Å; N258-A420 PolarHBondContact OD1-N 2.77Å; N258-A420 PolarHBondContact OD1-O 3.08Å; N258-A420 VanDerWaalsContact OD1-O 3.06Å
259P98.8Very high98.3Very high3 Ų322.7 Ų22.72%0.01912%0.118CC..EExtended strand (participates in β ladder)trans-83.9142.1175.833.1-31.8000111.7R292 F294 A412 A420 A421 T422P259-R292 CarbonylContact C-O 3.49Å; P259-R292 VanDerWaalsContact CA-O 3.28Å; P259-R292 WeakPolarHBondContact CA-O 3.4Å; P259-F294 HydrophobicContact CB-CD2 4.02Å; P259-F294 HydrophobicContact CB-CE2 3.87Å; P259-A412 HydrophobicContact CB-CB 4.03Å; P259-A412 HydrophobicContact CG-CB 3.96Å; P259-A420 WeakPolarHBondContact CD-O 3.43Å; P259-A421 HydrophobicContact CG-CB 3.82Å; P259-A421 CarbonylContact O-C 3.44Å; P259-A421 VanDerWaalsContact O-CA 3.31Å; P259-A421 WeakPolarHBondContact O-CA 3.32Å; P259-T422 PolarHBondContact O-N 2.93Å
260A98.9Very high98.3Very high0 Ų025.7 Ų25.70%013%0.133CC..EExtended strand (participates in β ladder)trans-105.1126154.800000108.7T290 R292 I293 F294 T422A260-T290 HydrophobicContact CB-CG2 3.42Å; A260-T290 VanDerWaalsContact CB-CG2 3.42Å; A260-R292 PolarHBondContact N-O 3.41Å; A260-I293 HydrophobicContact CB-CG1 4.38Å; A260-F294 PolarHBondContact O-N 3.41Å; A260-T422 WeakPolarHBondContact CA-O 3.41Å; A260-T422 VanDerWaalsContact CA-OG1 3.26Å; A260-T422 WeakPolarHBondContact CA-OG1 3.48Å; A260-T422 WeakPolarHBondContact CB-OG1 3.35Å
261I98.9Very high98.3Very high0 Ų024.1 Ų24.10%012%0.124CC..EExtended strand (participates in β ladder)trans-108.8117.4176.5-58.2177.6000108F263 F402 V408 A412 T422 V423 W424 V434 L438I261-F263 HydrophobicContact CB-CE2 4.5Å; I261-F263 HydrophobicContact CG2-CD2 4.01Å; I261-F263 HydrophobicContact CG2-CE2 3.43Å; I261-F263 VanDerWaalsContact CG2-CE2 3.43Å; I261-F263 HydrophobicContact CG2-CZ 3.77Å; I261-F402 HydrophobicContact CG2-CE1 4.09Å; I261-F402 HydrophobicContact CG2-CZ 4.03Å; I261-V408 HydrophobicContact CB-CG2 4.5Å; I261-V408 HydrophobicContact CD1-CG1 4.31Å; I261-V408 HydrophobicContact CD1-CG2 4.07Å; I261-V408 HydrophobicContact CG1-CG2 3.96Å; I261-V408 HydrophobicContact CG2-CG1 3.83Å; I261-V408 HydrophobicContact CG2-CG2 3.88Å; I261-A412 HydrophobicContact CD1-CB 3.91Å; I261-T422 PolarHBondContact N-O 2.81Å; I261-V423 WeakPolarHBondContact O-CA 3.38Å; I261-W424 PolarHBondContact O-N 2.79Å; I261-V434 HydrophobicContact CD1-CG1 4.17Å; I261-L438 HydrophobicContact CD1-CD1 4.28Å; I261-L438 HydrophobicContact CD1-CD2 3.85Å
262I98.9Very high98.4Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-118105.9-173-53.4176.8000108.7A266 L268 I293 F294 V295 Q296 I299 F303 F402 W424I262-A266 HydrophobicContact CG2-CB 3.91Å; I262-L268 HydrophobicContact CG2-CD2 4.38Å; I262-I293 HydrophobicContact CD1-CG2 3.66Å; I262-I293 HydrophobicContact CG1-CG2 4.49Å; I262-F294 PolarHBondContact N-O 3.46Å; I262-V295 HydrophobicContact CB-CG1 4.49Å; I262-V295 HydrophobicContact CB-CG2 4.47Å; I262-V295 HydrophobicContact CD1-CG2 4.34Å; I262-Q296 PolarHBondContact O-N 2.98Å; I262-I299 HydrophobicContact CG2-CD1 4.07Å; I262-F303 HydrophobicContact CD1-CD2 4.15Å; I262-F303 HydrophobicContact CD1-CE1 4.2Å; I262-F303 HydrophobicContact CD1-CE2 3.33Å; I262-F303 HydrophobicContact CD1-CZ 3.35Å; I262-F303 HydrophobicContact CG2-CD2 4.42Å; I262-F303 HydrophobicContact CG2-CE2 4.48Å; I262-F402 WeakPolarHBondContact O-CE1 3.4Å; I262-W424 HydrophobicContact CB-CB 4.47Å; I262-W424 HydrophobicContact CG1-CB 4.29Å; I262-W424 HydrophobicContact CG1-CG 4.32Å; I262-W424 HydrophobicContact CG2-CB 4.3Å
263F98.9Very high98.4Very high3 Ų327.9 Ų27.91%0.01315%0.148CC..  trans-82.5161.3177.3-69.3-85.3000111.5I261 D265 A266 I299 F402 E405 V408 V423 W424 R430 V434I261-F263 HydrophobicContact CB-CE2 4.5Å; I261-F263 HydrophobicContact CG2-CD2 4.01Å; I261-F263 HydrophobicContact CG2-CE2 3.43Å; I261-F263 VanDerWaalsContact CG2-CE2 3.43Å; I261-F263 HydrophobicContact CG2-CZ 3.77Å; F263-D265 VanDerWaalsContact CB-OD1 3.29Å; F263-D265 WeakPolarHBondContact CB-OD1 3.37Å; F263-D265 PolarHBondContact O-N 3.38Å; F263-A266 WeakPolarHBondContact O-CB 3.24Å; F263-A266 PolarHBondContact O-N 3.41Å; F263-I299 WeakPolarHBondContact O-CD1 3.45Å; F263-F402 HydrophobicContact CD1-CE2 4.04Å; F263-F402 AromaticContact CD1-CZ 3.8Å; F263-F402 HydrophobicContact CD1-CZ 3.8Å; F263-F402 AromaticContact CE1-CE2 3.81Å; F263-F402 HydrophobicContact CE1-CE2 3.81Å; F263-F402 AromaticContact CE1-CZ 3.84Å; F263-F402 HydrophobicContact CE1-CZ 3.84Å; F263-F402 HydrophobicContact CG-CZ 4.3Å; F263-F402 HydrophobicContact CZ-CZ 4.38Å; F263-E405 HydrophobicContact CE1-CB 4.15Å; F263-E405 HydrophobicContact CE1-CG 4.42Å; F263-E405 HydrophobicContact CZ-CB 4.43Å; F263-E405 HydrophobicContact CZ-CG 4.24Å; F263-V408 HydrophobicContact CZ-CG1 4.26Å; F263-V423 HydrophobicContact CD2-CG1 4.36Å; F263-V423 HydrophobicContact CE2-CG1 4.06Å; F263-W424 PolarHBondContact N-O 2.91Å; F263-R430 HydrophobicContact CD2-CG 4.36Å; F263-R430 HydrophobicContact CE1-CG 4.5Å; F263-R430 HydrophobicContact CE2-CG 4.09Å; F263-R430 HydrophobicContact CZ-CG 4.17Å; F263-V434 HydrophobicContact CE2-CG2 4.01Å; F263-V434 HydrophobicContact CZ-CG2 3.83Å
264E98.7Very high98.4Very high95 Ų9528.4 Ų28.444%0.44415%0.153SC..THydrogen-bonded Turntrans-62.2-23.1-178.372.2-165.4155.700114.2A266 Q296 S298 I299E264-A266 VanDerWaalsContact C-N 3.32Å; E264-Q296 HydrophobicContact CB-CB 4.43Å; E264-Q296 HydrophobicContact CB-CG 4.47Å; E264-Q296 PolarHBondContact OE1-NE2 3.07Å; E264-S298 VanDerWaalsContact CB-OG 3.23Å; E264-S298 WeakPolarHBondContact CB-OG 3.27Å; E264-S298 WeakPolarHBondContact OE2-CB 3.3Å; E264-S298 PolarHBondContact OE2-OG 3.08Å; E264-I299 HydrophobicContact CB-CG1 4.42Å; E264-I299 HydrophobicContact CB-CG2 3.98Å
265D98.6Very high98.4Very high43 Ų4327.8 Ų27.823%0.2315%0.15CC..THydrogen-bonded Turntrans-92.510.7177.273.7-30.2000113F263 S425 S426 N427 R430F263-D265 VanDerWaalsContact CB-OD1 3.29Å; F263-D265 WeakPolarHBondContact CB-OD1 3.37Å; F263-D265 PolarHBondContact O-N 3.38Å; D265-S425 WeakPolarHBondContact OD1-CA 3.48Å; D265-S425 WeakPolarHBondContact OD1-CB 3.19Å; D265-S425 PolarHBondContact OD1-OG 3.46Å; D265-S425 PolarHBondContact OD2-OG 2.78Å; D265-S426 WeakPolarHBondContact O-CB 3.37Å; D265-S426 PolarHBondContact O-N 2.99Å; D265-S426 PolarHBondContact O-OG 2.78Å; D265-S426 PolarHBondContact OD2-N 3.12Å; D265-S426 PolarHBondContact OD2-OG 3.38Å; D265-N427 WeakPolarHBondContact OD2-CB 3.31Å; D265-N427 PolarHBondContact OD2-N 3.24Å; D265-R430 IonicContact OD1-NH1 3.16Å; D265-R430 PolarHBondContact OD1-NH1 3.47Å; D265-R430 IonicContact OD2-NH1 3.5Å; D265-R430 PolarHBondContact OD2-NH1 3.06Å
266A98.6Very high98.6Very high10 Ų1027.9 Ų27.98%0.08315%0.15CC..SBendtrans-68.7139.817300000110.9I262 F263 E264 L268 W424I262-A266 HydrophobicContact CG2-CB 3.91Å; F263-A266 WeakPolarHBondContact O-CB 3.24Å; F263-A266 PolarHBondContact O-N 3.41Å; E264-A266 VanDerWaalsContact C-N 3.32Å; A266-L268 PolarHBondContact O-N 3.28Å; A266-W424 HydrophobicContact CB-CB 3.86Å
267N98.4Very high98.6Very high69 Ų6933.3 Ų33.337%0.36917%0.17SC..  trans-70.799.5167.2-177.2-9.5000109.3D269 E270 C271N267-D269 PolarHBondContact O-N 3.43Å; N267-D269 WeakPolarHBondContact OD1-CB 3.47Å; N267-D269 PolarHBondContact OD1-N 3.34Å; N267-D269 VanDerWaalsContact OD1-N 3.1Å; N267-E270 HydrophobicContact CB-CB 4.45Å; N267-E270 PolarHBondContact ND2-OE1 3.43Å; N267-E270 PolarHBondContact O-N 3.12Å; N267-C271 WeakPolarHBondContact O-CB 3.39Å; N267-C271 PolarHBondContact O-N 3.11Å
268L98.6Very high98.6Very high25 Ų2533.3 Ų33.313%0.13117%0.171CC..Hα-helixtrans-64.4-26.2-177.6-67.9-170.5000113.8I262 A266 E270 I272 I299 F303I262-L268 HydrophobicContact CG2-CD2 4.38Å; A266-L268 PolarHBondContact O-N 3.28Å; L268-E270 VanDerWaalsContact C-N 3.31Å; L268-E270 PolarHBondContact O-N 3.15Å; L268-I272 HydrophobicContact CB-CD1 4.1Å; L268-I272 WeakPolarHBondContact O-CB 3.47Å; L268-I272 WeakPolarHBondContact O-CD1 3.36Å; L268-I272 WeakPolarHBondContact O-CG1 3.44Å; L268-I272 PolarHBondContact O-N 3.13Å; L268-I272 VanDerWaalsContact O-N 3.1Å; L268-I299 HydrophobicContact CD2-CD1 4.14Å; L268-F303 HydrophobicContact CD2-CD2 3.94Å
269D98.5Very high98.6Very high108 Ų10833.1 Ų33.158%0.57817%0.17SC*.Hα-helixtrans-69.2-31.8179.1-63.9-22.1000111.9N267 P273 R306N267-D269 PolarHBondContact O-N 3.43Å; N267-D269 WeakPolarHBondContact OD1-CB 3.47Å; N267-D269 PolarHBondContact OD1-N 3.34Å; N267-D269 VanDerWaalsContact OD1-N 3.1Å; D269-P273 WeakPolarHBondContact O-CD 3.2Å; D269-P273 WeakPolarHBondContact O-CG 3.46Å; D269-R306 IonicContact OD1-CZ 3.92Å; D269-R306 IonicContact OD1-NH1 3.5Å; D269-R306 PolarHBondContact OD1-NH1 3.08Å; D269-R306 IonicContact OD1-NH2 3.1Å; D269-R306 PolarHBondContact OD1-NH2 2.83Å
270E98.4Very high98.6Very high117 Ų11733 Ų3355%0.54717%0.169SC..Hα-helixtrans-89-40.1173.5-69.3172.8-161.900112.2N267 L268 A274 W424N267-E270 HydrophobicContact CB-CB 4.45Å; N267-E270 PolarHBondContact ND2-OE1 3.43Å; N267-E270 PolarHBondContact O-N 3.12Å; L268-E270 VanDerWaalsContact C-N 3.31Å; L268-E270 PolarHBondContact O-N 3.15Å; E270-A274 WeakPolarHBondContact O-CB 3.39Å; E270-A274 PolarHBondContact O-N 2.91Å; E270-W424 HydrophobicContact CB-CZ3 4.4Å
271C98.6Very high98.6Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-64.4-46.1-174.6177.80000112.5N267 A274 T275 W424N267-C271 WeakPolarHBondContact O-CB 3.39Å; N267-C271 PolarHBondContact O-N 3.11Å; C271-A274 PolarHBondContact O-N 3.44Å; C271-T275 VanDerWaalsContact O-CB 3.26Å; C271-T275 WeakPolarHBondContact O-CB 3.32Å; C271-T275 PolarHBondContact O-N 3.33Å; C271-T275 PolarHBondContact O-OG1 3.18Å; C271-W424 VanDerWaalsContact CA-CZ3 3.48Å; C271-W424 HydrophobicContact CB-CD2 3.8Å; C271-W424 HydrophobicContact CB-CE3 3.53Å; C271-W424 HydrophobicContact CB-CG 4.28Å; C271-W424 HydrophobicContact CB-CZ3 4Å; C271-W424 VanDerWaalsContact SG-CD2 3.51Å
272I98.8Very high98.5Very high6 Ų633.5 Ų33.53%0.03117%0.173CC..Hα-helixtrans-64.9-52.5-174.4-71.6161.5000112.1L268 A274 T275 V276 F303 R306 A310L268-I272 HydrophobicContact CB-CD1 4.1Å; L268-I272 WeakPolarHBondContact O-CB 3.47Å; L268-I272 WeakPolarHBondContact O-CD1 3.36Å; L268-I272 WeakPolarHBondContact O-CG1 3.44Å; L268-I272 PolarHBondContact O-N 3.13Å; L268-I272 VanDerWaalsContact O-N 3.1Å; I272-A274 VanDerWaalsContact C-N 3.29Å; I272-A274 PolarHBondContact O-N 3.42Å; I272-T275 PolarHBondContact O-N 3.11Å; I272-V276 HydrophobicContact CG2-CG2 4.46Å; I272-V276 WeakPolarHBondContact O-CG2 3.26Å; I272-V276 PolarHBondContact O-N 3.38Å; I272-F303 HydrophobicContact CD1-CD2 4.41Å; I272-F303 HydrophobicContact CG1-CD2 3.96Å; I272-F303 HydrophobicContact CG1-CE2 3.76Å; I272-R306 HydrophobicContact CD1-CB 3.49Å; I272-R306 VanDerWaalsContact CD1-CB 3.49Å; I272-R306 HydrophobicContact CD1-CG 4.35Å; I272-R306 VanDerWaalsContact CD1-NE 3.32Å; I272-A310 HydrophobicContact CG2-CB 3.75Å
273P98.5Very high98.5Very high77 Ų7733.6 Ų33.650%0.517%0.174SC..Hα-helixtrans-58.7-40.7177.8-24.834.7000112.8D269 R277D269-P273 WeakPolarHBondContact O-CD 3.2Å; D269-P273 WeakPolarHBondContact O-CG 3.46Å; P273-R277 WeakPolarHBondContact O-CB 3.34Å; P273-R277 PolarHBondContact O-N 2.98Å
274A98.6Very high98.4Very high16 Ų1633.6 Ų33.613%0.13217%0.174CC..Hα-helixtrans-67-38.6177.900000112.3E270 C271 I272 R277 S278 W424E270-A274 WeakPolarHBondContact O-CB 3.39Å; E270-A274 PolarHBondContact O-N 2.91Å; C271-A274 PolarHBondContact O-N 3.44Å; I272-A274 VanDerWaalsContact C-N 3.29Å; I272-A274 PolarHBondContact O-N 3.42Å; A274-R277 PolarHBondContact O-N 2.88Å; A274-S278 WeakPolarHBondContact O-CB 3.42Å; A274-S278 PolarHBondContact O-N 2.95Å; A274-S278 PolarHBondContact O-OG 2.97Å; A274-W424 HydrophobicContact CB-CH2 3.33Å; A274-W424 HydrophobicContact CB-CZ2 3.45Å; A274-W424 VanDerWaalsContact CB-CZ2 3.45Å; A274-W424 HydrophobicContact CB-CZ3 4.49Å
275T98.8Very high98.4Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-68.5-44.4178.4-570000110.6C271 I272 R277 S278 S279 I293 F303 F307C271-T275 VanDerWaalsContact O-CB 3.26Å; C271-T275 WeakPolarHBondContact O-CB 3.32Å; C271-T275 PolarHBondContact O-N 3.33Å; C271-T275 PolarHBondContact O-OG1 3.18Å; I272-T275 PolarHBondContact O-N 3.11Å; T275-R277 VanDerWaalsContact C-N 3.34Å; T275-R277 PolarHBondContact O-N 3.49Å; T275-S278 WeakPolarHBondContact CA-OG 3.26Å; T275-S278 PolarHBondContact O-N 3.01Å; T275-S278 VanDerWaalsContact O-N 3.13Å; T275-S278 PolarHBondContact O-OG 2.89Å; T275-S279 PolarHBondContact O-N 3.14Å; T275-S279 PolarHBondContact O-OG 3.43Å; T275-I293 HydrophobicContact CG2-CD1 3.58Å; T275-I293 HydrophobicContact CG2-CG1 4.1Å; T275-F303 HydrophobicContact CG2-CZ 4.33Å; T275-F307 HydrophobicContact CG2-CD2 4.3Å; T275-F307 HydrophobicContact CG2-CE2 3.67Å; T275-F307 HydrophobicContact CG2-CZ 4.3Å
276V98.8Very high98.4Very high5 Ų527.2 Ų27.23%0.0314%0.144CC..Hα-helixtrans-56.5-49.1173170.90000110.3I272 S278 S279 F280 F307 A310 W314I272-V276 HydrophobicContact CG2-CG2 4.46Å; I272-V276 WeakPolarHBondContact O-CG2 3.26Å; I272-V276 PolarHBondContact O-N 3.38Å; V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 2.94Å; V276-S279 PolarHBondContact O-N 3.34Å; V276-F280 HydrophobicContact CG1-CD2 3.93Å; V276-F280 HydrophobicContact CG1-CE2 4.4Å; V276-F280 WeakPolarHBondContact O-CD2 3Å; V276-F280 PolarHBondContact O-N 3.47Å; V276-F307 HydrophobicContact CB-CE2 4.32Å; V276-F307 HydrophobicContact CG2-CD2 3.67Å; V276-F307 HydrophobicContact CG2-CE2 3.48Å; V276-F307 VanDerWaalsContact CG2-CE2 3.48Å; V276-F307 HydrophobicContact CG2-CZ 4.38Å; V276-A310 HydrophobicContact CG2-CB 3.84Å; V276-W314 HydrophobicContact CG1-CB 4.29Å; V276-W314 HydrophobicContact CG1-CD2 4.09Å; V276-W314 HydrophobicContact CG1-CE3 3.69Å; V276-W314 HydrophobicContact CG1-CG 4.38Å; V276-W314 HydrophobicContact CG1-CZ3 4.38Å
277R98.3Very high98.3Very high115 Ų11527.8 Ų27.843%0.43415%0.146SC..Hα-helixtrans-58.2-46176-172.9-17976.5175.45.3111.5P273 A274 T275 S279 F280 A281 W314 W448P273-R277 WeakPolarHBondContact O-CB 3.34Å; P273-R277 PolarHBondContact O-N 2.98Å; A274-R277 PolarHBondContact O-N 2.88Å; T275-R277 VanDerWaalsContact C-N 3.34Å; T275-R277 PolarHBondContact O-N 3.49Å; R277-S279 VanDerWaalsContact C-N 3.26Å; R277-S279 PolarHBondContact O-N 2.87Å; R277-F280 PolarHBondContact O-N 3.11Å; R277-A281 HydrophobicContact CG-CB 4.34Å; R277-A281 WeakPolarHBondContact O-CB 3.41Å; R277-A281 PolarHBondContact O-N 3.47Å; R277-W314 HydrophobicContact CB-CH2 4.41Å; R277-W314 HydrophobicContact CG-CH2 4.28Å; R277-W448 HydrophobicContact CG-CZ3 4.36Å; R277-W448 PolarHBondContact NH2-O 3.27Å
278S98.4Very high98.3Very high2 Ų224.7 Ų24.71%0.01413%0.13CC..Hα-helixtrans-67.2-24-178.774.60000113.9A274 T275 V276 C289 T290 W448A274-S278 WeakPolarHBondContact O-CB 3.42Å; A274-S278 PolarHBondContact O-N 2.95Å; A274-S278 PolarHBondContact O-OG 2.97Å; T275-S278 WeakPolarHBondContact CA-OG 3.26Å; T275-S278 PolarHBondContact O-N 3.01Å; T275-S278 VanDerWaalsContact O-N 3.13Å; T275-S278 PolarHBondContact O-OG 2.89Å; V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 2.94Å; S278-C289 CarbonylContact O-C 3.4Å; S278-C289 WeakPolarHBondContact O-CA 3.14Å; S278-C289 WeakPolarHBondContact O-CB 3.28Å; S278-C289 PolarHBondContact O-SG 3.44Å; S278-T290 WeakPolarHBondContact CB-OG1 3.25Å; S278-T290 PolarHBondContact O-N 3.34Å; S278-T290 VanDerWaalsContact OG-CB 3.23Å; S278-T290 WeakPolarHBondContact OG-CB 3.46Å; S278-T290 PolarHBondContact OG-OG1 3.32Å; S278-W448 VanDerWaalsContact CB-CG 3.46Å
279S98.6Very high98.3Very high2 Ų223.9 Ų23.91%0.01413%0.126CC..Hα-helixtrans-87.3-32.7178.1-68.30000112.9T275 V276 R277 T290T275-S279 PolarHBondContact O-N 3.14Å; T275-S279 PolarHBondContact O-OG 3.43Å; V276-S279 PolarHBondContact O-N 3.34Å; R277-S279 VanDerWaalsContact C-N 3.26Å; R277-S279 PolarHBondContact O-N 2.87Å; S279-T290 WeakPolarHBondContact CA-O 3.27Å; S279-T290 WeakPolarHBondContact CB-O 3.43Å; S279-T290 PolarHBondContact OG-O 2.69Å
280F98.6Very high98.3Very high0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-126.2-5-165.3-50-59000115.7V276 R277 N282 Q283 F307 T311 W314 M326 P375 V377 P395 T397V276-F280 HydrophobicContact CG1-CD2 3.93Å; V276-F280 HydrophobicContact CG1-CE2 4.4Å; V276-F280 WeakPolarHBondContact O-CD2 3Å; V276-F280 PolarHBondContact O-N 3.47Å; R277-F280 PolarHBondContact O-N 3.11Å; F280-N282 PolarHBondContact O-N 3.44Å; F280-Q283 PolarHBondContact O-N 2.82Å; F280-F307 HydrophobicContact CE2-CZ 4.05Å; F280-F307 HydrophobicContact CZ-CZ 4.35Å; F280-T311 HydrophobicContact CD2-CG2 4.24Å; F280-T311 HydrophobicContact CE2-CG2 3.45Å; F280-T311 VanDerWaalsContact CE2-CG2 3.45Å; F280-T311 HydrophobicContact CZ-CG2 3.67Å; F280-W314 HydrophobicContact CB-CG 4.34Å; F280-W314 PolarHBondContact O-NE1 3.34Å; F280-M326 HydrophobicContact CB-SD 4.43Å; F280-P375 HydrophobicContact CD1-CB 3.71Å; F280-P375 HydrophobicContact CD2-CB 4.07Å; F280-P375 HydrophobicContact CE1-CB 3.76Å; F280-P375 HydrophobicContact CE2-CB 4.13Å; F280-P375 HydrophobicContact CG-CB 3.86Å; F280-P375 HydrophobicContact CG-CG 4.39Å; F280-P375 HydrophobicContact CZ-CB 3.97Å; F280-V377 HydrophobicContact CZ-CG2 4.23Å; F280-P395 HydrophobicContact CD1-CB 3.92Å; F280-T397 HydrophobicContact CE1-CG2 4.3Å; F280-T397 HydrophobicContact CZ-CG2 3.83Å
281A97.2Very high98.2Very high11 Ų1114.1 Ų14.19%0.0918%0.079CC..G310 helixtrans-56141.1170.800000110.5R277 Q283 G284 I286 W448R277-A281 HydrophobicContact CG-CB 4.34Å; R277-A281 WeakPolarHBondContact O-CB 3.41Å; R277-A281 PolarHBondContact O-N 3.47Å; A281-Q283 VanDerWaalsContact C-N 3.29Å; A281-Q283 PolarHBondContact O-N 3.02Å; A281-G284 PolarHBondContact O-N 3.05Å; A281-I286 HydrophobicContact CB-CD1 4.32Å; A281-W448 HydrophobicContact CB-CH2 4.34Å; A281-W448 HydrophobicContact CB-CZ3 4.43Å
282N97.7Very high98.2Very high0 Ų014.4 Ų14.40%08%0.08CC..G310 helixtrans5145.5-175.4-161.954.1000113Q95 K97 L101 N155 F280 G284 E285 I286Q95-N282 PolarHBondContact OE1-OD1 3.45Å; K97-N282 WeakPolarHBondContact CB-OD1 3.35Å; K97-N282 VanDerWaalsContact CE-OD1 3.24Å; K97-N282 WeakPolarHBondContact CE-OD1 3.26Å; L101-N282 HydrophobicContact CD2-CB 3.86Å; N155-N282 PolarHBondContact O-ND2 3.36Å; F280-N282 PolarHBondContact O-N 3.44Å; N282-G284 PolarHBondContact O-N 2.76Å; N282-E285 PolarHBondContact ND2-O 3.13Å; N282-E285 VanDerWaalsContact ND2-O 3.08Å; N282-E285 WeakPolarHBondContact O-CA 3.28Å; N282-E285 WeakPolarHBondContact O-CB 3.44Å; N282-E285 PolarHBondContact O-N 3.19Å; N282-I286 HydrophobicContact CB-CD1 3.6Å; N282-I286 HydrophobicContact CB-CG1 3.71Å
283Q98.1Very high98.2Very high1 Ų114.1 Ų14.11%0.0058%0.079CC..G310 helixtrans5822.5-178.4-55.468.8-114.700114.7F280 A281 E285 M326 G327 A328 L329 G394 P395F280-Q283 PolarHBondContact O-N 2.82Å; A281-Q283 VanDerWaalsContact C-N 3.29Å; A281-Q283 PolarHBondContact O-N 3.02Å; Q283-E285 HydrophobicContact CB-CG 4.1Å; Q283-E285 PolarHBondContact NE2-OE2 3.03Å; Q283-E285 PolarHBondContact O-N 3.11Å; Q283-M326 VanDerWaalsContact CA-SD 3.58Å; Q283-M326 HydrophobicContact CB-CG 4.14Å; Q283-M326 HydrophobicContact CB-SD 4.27Å; Q283-M326 HydrophobicContact CG-CG 3.58Å; Q283-M326 HydrophobicContact CG-SD 4.31Å; Q283-G327 WeakPolarHBondContact CG-O 3.42Å; Q283-A328 WeakPolarHBondContact CG-O 3.2Å; Q283-A328 PolarHBondContact NE2-O 2.73Å; Q283-L329 HydrophobicContact CB-CD1 4.23Å; Q283-L329 HydrophobicContact CB-CG 4.19Å; Q283-L329 HydrophobicContact CG-CD1 4.44Å; Q283-G394 CarbonylContact O-C 3.6Å; Q283-G394 WeakPolarHBondContact O-CA 3.37Å; Q283-P395 WeakPolarHBondContact O-CD 3.44Å
284G98Very high98.3Very high3 Ų310.4 Ų10.43%0.0316%0.055CC..G310 helixtrans70.712.3-172.100000113.7A281 N282 I286 F393 G394A281-G284 PolarHBondContact O-N 3.05Å; N282-G284 PolarHBondContact O-N 2.76Å; G284-I286 VanDerWaalsContact C-N 3.31Å; G284-I286 PolarHBondContact O-N 3.29Å; G284-F393 CarbonylContact O-C 3.54Å; G284-G394 PolarHBondContact O-N 3.3Å
285E98.6Very high98.3Very high0 Ų09.7 Ų9.70%05%0.049CC..  trans-94.646.1-179.9-54.9171.3136.300110.1Q95 W154 N155 N282 Q283 L329 I330 H334 F393Q95-E285 PolarHBondContact NE2-OE2 2.99Å; W154-E285 HydrophobicContact CH2-CB 4.04Å; W154-E285 HydrophobicContact CH2-CG 3.98Å; W154-E285 HydrophobicContact CZ3-CB 3.84Å; W154-E285 HydrophobicContact CZ3-CG 3.99Å; N155-E285 HydrophobicContact CB-CB 4.39Å; N155-E285 WeakPolarHBondContact CB-O 3.28Å; N155-E285 PolarHBondContact ND2-O 3.37Å; N282-E285 PolarHBondContact ND2-O 3.13Å; N282-E285 VanDerWaalsContact ND2-O 3.08Å; N282-E285 WeakPolarHBondContact O-CA 3.28Å; N282-E285 WeakPolarHBondContact O-CB 3.44Å; N282-E285 PolarHBondContact O-N 3.19Å; Q283-E285 HydrophobicContact CB-CG 4.1Å; Q283-E285 PolarHBondContact NE2-OE2 3.03Å; Q283-E285 PolarHBondContact O-N 3.11Å; E285-L329 WeakPolarHBondContact OE1-CA 3.46Å; E285-L329 WeakPolarHBondContact OE1-CB 3Å; E285-I330 PolarHBondContact OE1-N 3.46Å; E285-H334 IonicContact OE1-CD2 3.81Å; E285-H334 PolarHBondContact OE1-CD2 3.43Å; E285-H334 IonicContact OE1-NE2 2.77Å; E285-H334 PolarHBondContact OE1-NE2 3.01Å; E285-F393 HydrophobicContact CB-CD1 3.98Å; E285-F393 HydrophobicContact CB-CE1 3.77Å; E285-F393 HydrophobicContact CB-CZ 4.46Å; E285-F393 HydrophobicContact CG-CD1 4.28Å
286I97.8Very high98.3Very high5 Ų510.9 Ų10.93%0.0265%0.054CC..SBendtrans-123.6131.9169-62.9162.4000106.9L156 A281 N282 G284 L288 C289 W448L156-I286 HydrophobicContact CD1-CG1 4.4Å; A281-I286 HydrophobicContact CB-CD1 4.32Å; N282-I286 HydrophobicContact CB-CD1 3.6Å; N282-I286 HydrophobicContact CB-CG1 3.71Å; G284-I286 VanDerWaalsContact C-N 3.31Å; G284-I286 PolarHBondContact O-N 3.29Å; I286-L288 HydrophobicContact CG2-CB 3.93Å; I286-L288 HydrophobicContact CG2-CD1 4.36Å; I286-L288 HydrophobicContact CG2-CG 4.22Å; I286-L288 PolarHBondContact O-N 3.43Å; I286-C289 VanDerWaalsContact O-CB 3.25Å; I286-C289 WeakPolarHBondContact O-CB 3.43Å; I286-C289 PolarHBondContact O-N 3.02Å; I286-C289 PolarHBondContact O-SG 2.84Å; I286-W448 HydrophobicContact CD1-CH2 4.31Å
287C97.6Very high98.3Very high21 Ų2116.5 Ų16.514%0.1428%0.078CC..THydrogen-bonded Turntrans-56.7-24179.951.70000113.1N258 F393 L419N258-C287 PolarHBondContact ND2-O 2.59Å; C287-F393 HydrophobicContact CB-CE2 4.36Å; C287-L419 HydrophobicContact CB-CD2 3.67Å; C287-L419 WeakPolarHBondContact O-CD2 3.47Å
288L97.8Very high98.3Very high4 Ų414.8 Ų14.82%0.0218%0.084CC..THydrogen-bonded Turntrans-88-0.6178.4-51.5166.6000113.9N258 I286 L419 A420 L442 W444 W448 L449 F457N258-L288 WeakPolarHBondContact ND2-CA 3.31Å; I286-L288 HydrophobicContact CG2-CB 3.93Å; I286-L288 HydrophobicContact CG2-CD1 4.36Å; I286-L288 HydrophobicContact CG2-CG 4.22Å; I286-L288 PolarHBondContact O-N 3.43Å; L288-L419 HydrophobicContact CD2-CD1 4.43Å; L288-L419 HydrophobicContact CD2-CD2 3.82Å; L288-L419 HydrophobicContact CD2-CG 3.86Å; L288-A420 HydrophobicContact CD2-CB 3.87Å; L288-L442 HydrophobicContact CD2-CD1 3.77Å; L288-W444 HydrophobicContact CB-CH2 4.33Å; L288-W444 HydrophobicContact CB-CZ3 4.49Å; L288-W444 HydrophobicContact CD1-CH2 4.1Å; L288-W444 HydrophobicContact CD2-CH2 4.14Å; L288-W444 HydrophobicContact CG-CH2 4.41Å; L288-W448 HydrophobicContact CB-CZ2 4.35Å; L288-W448 PolarHBondContact O-NE1 3.47Å; L288-L449 HydrophobicContact CD1-CD1 3.45Å; L288-L449 VanDerWaalsContact CD1-CD1 3.45Å; L288-F457 HydrophobicContact CD1-CE2 3.8Å; L288-F457 HydrophobicContact CD1-CZ 4.12Å; L288-F457 HydrophobicContact CD2-CE2 3.9Å; L288-F457 HydrophobicContact CD2-CZ 3.99Å; L288-F457 HydrophobicContact CG-CE2 4.38Å; L288-F457 HydrophobicContact CG-CZ 4.41Å
289C98.3Very high98.3Very high9 Ų916.1 Ų16.16%0.0619%0.091CC..  trans-62.4140.8-177.6-820000111.9N258 S278 I286 S291N258-C289 WeakPolarHBondContact CB-O 3.41Å; N258-C289 PolarHBondContact ND2-O 2.65Å; S278-C289 CarbonylContact O-C 3.4Å; S278-C289 WeakPolarHBondContact O-CA 3.14Å; S278-C289 WeakPolarHBondContact O-CB 3.28Å; S278-C289 PolarHBondContact O-SG 3.44Å; I286-C289 VanDerWaalsContact O-CB 3.25Å; I286-C289 WeakPolarHBondContact O-CB 3.43Å; I286-C289 PolarHBondContact O-N 3.02Å; I286-C289 PolarHBondContact O-SG 2.84Å; C289-S291 PolarHBondContact O-N 2.9Å
290T98.4Very high98.3Very high2 Ų217.6 Ų17.61%0.01210%0.096CC..EExtended strand (participates in β ladder)trans-74.1114.3173-60.60000108.9A260 S278 S279 I293A260-T290 HydrophobicContact CB-CG2 3.42Å; A260-T290 VanDerWaalsContact CB-CG2 3.42Å; S278-T290 WeakPolarHBondContact CB-OG1 3.25Å; S278-T290 PolarHBondContact O-N 3.34Å; S278-T290 VanDerWaalsContact OG-CB 3.23Å; S278-T290 WeakPolarHBondContact OG-CB 3.46Å; S278-T290 PolarHBondContact OG-OG1 3.32Å; S279-T290 WeakPolarHBondContact CA-O 3.27Å; S279-T290 WeakPolarHBondContact CB-O 3.43Å; S279-T290 PolarHBondContact OG-O 2.69Å; T290-I293 HydrophobicContact CG2-CD1 4.34Å; T290-I293 HydrophobicContact CG2-CG1 3.61Å
291S97.4Very high98.3Very high17 Ų1723 Ų2312%0.11913%0.129CC..EExtended strand (participates in β ladder)trans-121.1-9.8-178.652.30000113.8K257 N258 C289 C398K257-S291 WeakPolarHBondContact CD-OG 3.3Å; N258-S291 PolarHBondContact O-N 3.34Å; C289-S291 PolarHBondContact O-N 2.9Å; S291-C398 PolarHBondContact O-N 2.81Å; S291-C398 VanDerWaalsContact O-N 3.12Å
292R98.7Very high98.4Very high6 Ų626.9 Ų26.92%0.02315%0.145CC..EExtended strand (participates in β ladder)trans-125.7122.3168-60.5-175.2-72.1151.72.4108.9K257 N258 P259 A260 F294 M388 R411 A412K257-R292 HydrophobicContact CD-CG 4.45Å; K257-R292 HydrophobicContact CG-CG 4.01Å; K257-R292 PolarHBondContact O-NE 3.36Å; K257-R292 PolarHBondContact O-NH2 2.98Å; N258-R292 PolarHBondContact O-N 2.81Å; P259-R292 CarbonylContact C-O 3.49Å; P259-R292 VanDerWaalsContact CA-O 3.28Å; P259-R292 WeakPolarHBondContact CA-O 3.4Å; A260-R292 PolarHBondContact N-O 3.41Å; R292-F294 HydrophobicContact CB-CD2 4.42Å; R292-F294 HydrophobicContact CB-CE2 3.74Å; R292-F294 HydrophobicContact CB-CZ 4.31Å; R292-M388 HydrophobicContact CB-CE 4.4Å; R292-M388 HydrophobicContact CB-SD 4.5Å; R292-M388 VanDerWaalsContact CD-O 3.29Å; R292-M388 WeakPolarHBondContact CD-O 3.29Å; R292-M388 HydrophobicContact CG-CE 4.11Å; R292-M388 HydrophobicContact CG-SD 3.89Å; R292-R411 PolarHBondContact NH1-O 3.21Å; R292-A412 PolarHBondContact NH1-O 3.29Å; R292-A412 PolarHBondContact NH2-O 3.37Å
293I98.9Very high98.5Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-115.9112.3179.3-58.1167.7000107.2A260 I262 T275 T290 V295 F303 F307 T397 C398 V399 V400A260-I293 HydrophobicContact CB-CG1 4.38Å; I262-I293 HydrophobicContact CD1-CG2 3.66Å; I262-I293 HydrophobicContact CG1-CG2 4.49Å; T275-I293 HydrophobicContact CG2-CD1 3.58Å; T275-I293 HydrophobicContact CG2-CG1 4.1Å; T290-I293 HydrophobicContact CG2-CD1 4.34Å; T290-I293 HydrophobicContact CG2-CG1 3.61Å; I293-V295 HydrophobicContact CG2-CG2 3.76Å; I293-F303 HydrophobicContact CG2-CE1 3.9Å; I293-F303 HydrophobicContact CG2-CZ 4Å; I293-F307 HydrophobicContact CD1-CE1 3.91Å; I293-F307 HydrophobicContact CD1-CE2 4.15Å; I293-F307 HydrophobicContact CD1-CZ 3.59Å; I293-T397 HydrophobicContact CD1-CG2 3.87Å; I293-T397 WeakPolarHBondContact CD1-OG1 3.49Å; I293-C398 PolarHBondContact N-O 3.24Å; I293-V399 HydrophobicContact CB-CB 4.49Å; I293-V399 HydrophobicContact CB-CG1 4.35Å; I293-V399 HydrophobicContact CB-CG2 4.16Å; I293-V399 HydrophobicContact CD1-CG2 4.02Å; I293-V399 HydrophobicContact CG2-CG1 4.25Å; I293-V399 CarbonylContact O-C 3.57Å; I293-V399 WeakPolarHBondContact O-CA 3.29Å; I293-V400 PolarHBondContact O-N 3.01Å
294F98.9Very high98.5Very high0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-98.9123.2174.5-61.9-87.2000108.4P259 A260 I262 R292 M388 V400 F402 V408 R411P259-F294 HydrophobicContact CB-CD2 4.02Å; P259-F294 HydrophobicContact CB-CE2 3.87Å; A260-F294 PolarHBondContact O-N 3.41Å; I262-F294 PolarHBondContact N-O 3.46Å; R292-F294 HydrophobicContact CB-CD2 4.42Å; R292-F294 HydrophobicContact CB-CE2 3.74Å; R292-F294 HydrophobicContact CB-CZ 4.31Å; F294-M388 HydrophobicContact CE1-CE 4.18Å; F294-M388 HydrophobicContact CZ-CE 3.98Å; F294-V400 WeakPolarHBondContact CA-O 3.47Å; F294-V400 HydrophobicContact CD1-CG2 3.49Å; F294-V400 VanDerWaalsContact CD1-CG2 3.49Å; F294-V400 HydrophobicContact CE1-CG2 3.62Å; F294-V400 HydrophobicContact CG-CG2 4.29Å; F294-F402 HydrophobicContact CB-CD1 3.79Å; F294-F402 HydrophobicContact CB-CE1 4.25Å; F294-V408 HydrophobicContact CB-CG2 3.49Å; F294-V408 VanDerWaalsContact CB-CG2 3.49Å; F294-V408 HydrophobicContact CD1-CG2 4.13Å; F294-V408 HydrophobicContact CD2-CG2 4.44Å; F294-V408 HydrophobicContact CG-CG2 3.79Å; F294-R411 HydrophobicContact CE1-CB 4Å; F294-R411 HydrophobicContact CZ-CB 4.33Å
295V98.9Very high98.5Very high0 Ų032.9 Ų32.90%017%0.171CC..EExtended strand (participates in β ladder)trans-123.2133-176.6-172.20000110.3I262 I293 K297 I299 Y300 F303 V399 V400 P401 F402I262-V295 HydrophobicContact CB-CG1 4.49Å; I262-V295 HydrophobicContact CB-CG2 4.47Å; I262-V295 HydrophobicContact CD1-CG2 4.34Å; I293-V295 HydrophobicContact CG2-CG2 3.76Å; V295-K297 PolarHBondContact O-N 3.41Å; V295-I299 HydrophobicContact CG1-CD1 3.92Å; V295-I299 HydrophobicContact CG1-CG1 3.83Å; V295-Y300 HydrophobicContact CB-CD2 4.16Å; V295-F303 HydrophobicContact CB-CD1 4.43Å; V295-F303 HydrophobicContact CG1-CB 3.83Å; V295-F303 HydrophobicContact CG1-CD1 4.19Å; V295-F303 HydrophobicContact CG1-CG 3.93Å; V295-F303 HydrophobicContact CG2-CD1 3.5Å; V295-F303 HydrophobicContact CG2-CE1 3.71Å; V295-F303 HydrophobicContact CG2-CG 4.03Å; V295-F303 HydrophobicContact CG2-CZ 4.39Å; V295-V399 HydrophobicContact CG2-CG1 3.9Å; V295-V400 PolarHBondContact N-O 3Å; V295-P401 CarbonylContact O-C 3.51Å; V295-P401 WeakPolarHBondContact O-CA 3.17Å; V295-F402 WeakPolarHBondContact O-CD1 3.49Å; V295-F402 PolarHBondContact O-N 3.49Å
296Q98.9Very high98.5Very high25 Ų2536.1 Ų36.112%0.11718%0.183CC..EExtended strand (participates in β ladder)trans-64133.8-179.1-164.1174.8-4.900109.8I262 E264 S298 I299 Y300 F402I262-Q296 PolarHBondContact O-N 2.98Å; E264-Q296 HydrophobicContact CB-CB 4.43Å; E264-Q296 HydrophobicContact CB-CG 4.47Å; E264-Q296 PolarHBondContact OE1-NE2 3.07Å; Q296-S298 PolarHBondContact O-N 3.19Å; Q296-I299 HydrophobicContact CB-CG1 4.49Å; Q296-I299 VanDerWaalsContact O-CG1 3.26Å; Q296-I299 WeakPolarHBondContact O-CG1 3.28Å; Q296-I299 PolarHBondContact O-N 3.04Å; Q296-Y300 PolarHBondContact O-N 2.91Å; Q296-F402 HydrophobicContact CB-CE1 3.97Å; Q296-F402 HydrophobicContact CB-CE2 3.96Å; Q296-F402 HydrophobicContact CB-CZ 3.6Å; Q296-F402 HydrophobicContact CG-CE2 3.96Å; Q296-F402 HydrophobicContact CG-CZ 4.12Å
297K98.7Very high98.6Very high124 Ų12435.9 Ų35.954%0.53918%0.182SC..G310 helixtrans-53.2-35.2-167.7-169.8172.7-174.4171.20114.9V295 I299 Y300 F402 D403V295-K297 PolarHBondContact O-N 3.41Å; K297-I299 PolarHBondContact O-N 3.36Å; K297-Y300 PolarHBondContact O-N 2.89Å; K297-F402 PolarHBondContact N-O 2.96Å; K297-D403 WeakPolarHBondContact CD-OD1 3.17Å; K297-D403 IonicContact NZ-OD1 2.99Å; K297-D403 PolarHBondContact NZ-OD1 3.47Å; K297-D403 IonicContact NZ-OD2 2.68Å
298S98.8Very high98.7Very high79 Ų7935.1 Ų35.155%0.55218%0.177SC*.G310 helixtrans-60.7-27.4179.150.20000113.7E264 Q296E264-S298 VanDerWaalsContact CB-OG 3.23Å; E264-S298 WeakPolarHBondContact CB-OG 3.27Å; E264-S298 WeakPolarHBondContact OE2-CB 3.3Å; E264-S298 PolarHBondContact OE2-OG 3.08Å; Q296-S298 PolarHBondContact O-N 3.19Å
299I98.8Very high98.7Very high29 Ų2939.2 Ų39.215%0.14920%0.196CC..G310 helixtrans-114.60.8179.960.4155.8000113.4I262 F263 E264 L268 V295 Q296 K297 T301 E302 F303I262-I299 HydrophobicContact CG2-CD1 4.07Å; F263-I299 WeakPolarHBondContact O-CD1 3.45Å; E264-I299 HydrophobicContact CB-CG1 4.42Å; E264-I299 HydrophobicContact CB-CG2 3.98Å; L268-I299 HydrophobicContact CD2-CD1 4.14Å; V295-I299 HydrophobicContact CG1-CD1 3.92Å; V295-I299 HydrophobicContact CG1-CG1 3.83Å; Q296-I299 HydrophobicContact CB-CG1 4.49Å; Q296-I299 VanDerWaalsContact O-CG1 3.26Å; Q296-I299 WeakPolarHBondContact O-CG1 3.28Å; Q296-I299 PolarHBondContact O-N 3.04Å; K297-I299 PolarHBondContact O-N 3.36Å; I299-T301 PolarHBondContact O-N 2.88Å; I299-E302 PolarHBondContact O-N 3.2Å; I299-F303 WeakPolarHBondContact O-CB 3.42Å; I299-F303 PolarHBondContact O-N 3.43Å
300Y98.9Very high98.7Very high34 Ų3440 Ų4013%0.13320%0.203CC..Hα-helixtrans-55.1-50.8-172.2173.6-102.9000113.2V295 Q296 K297 E302 F303 L304 V399 P401V295-Y300 HydrophobicContact CB-CD2 4.16Å; Q296-Y300 PolarHBondContact O-N 2.91Å; K297-Y300 PolarHBondContact O-N 2.89Å; Y300-E302 PolarHBondContact O-N 3.48Å; Y300-F303 PolarHBondContact O-N 3.36Å; Y300-L304 HydrophobicContact CE1-CD2 4.17Å; Y300-L304 VanDerWaalsContact O-CB 3.28Å; Y300-L304 WeakPolarHBondContact O-CB 3.34Å; Y300-L304 PolarHBondContact O-N 3.42Å; Y300-V399 HydrophobicContact CE2-CG1 4.1Å; Y300-P401 HydrophobicContact CD2-CB 3.81Å; Y300-P401 HydrophobicContact CD2-CG 4.42Å; Y300-P401 HydrophobicContact CE2-CB 4.22Å; Y300-P401 HydrophobicContact CE2-CG 4.37Å; Y300-P401 HydrophobicContact CG-CB 3.98Å
301T98.6Very high98.7Very high113 Ų11340 Ų4069%0.69320%0.203SC*.Hα-helixtrans-63-43.7-177-570000112I299 K305I299-T301 PolarHBondContact O-N 2.88Å; T301-K305 WeakPolarHBondContact O-CB 3.3Å; T301-K305 PolarHBondContact O-N 3.11Å; T301-K305 VanDerWaalsContact O-N 3.13Å
302E98.7Very high98.8Very high92 Ų9245.2 Ų45.243%0.4322%0.22SC..Hα-helixtrans-70.1-43.3-179.617757.7-173.800111.6I299 Y300 R306I299-E302 PolarHBondContact O-N 3.2Å; Y300-E302 PolarHBondContact O-N 3.48Å; E302-R306 WeakPolarHBondContact O-CG 3.33Å; E302-R306 PolarHBondContact O-N 3.01Å; E302-R306 VanDerWaalsContact O-N 3.11Å; E302-R306 WeakPolarHBondContact OE1-CD 3.22Å
303F98.9Very high98.7Very high0 Ų052.8 Ų52.80%025%0.253CS..Hα-helixtrans-57.7-51.9174176.8-88.4000111.1I262 L268 I272 T275 I293 V295 I299 Y300 K305 R306 F307 V399I262-F303 HydrophobicContact CD1-CD2 4.15Å; I262-F303 HydrophobicContact CD1-CE1 4.2Å; I262-F303 HydrophobicContact CD1-CE2 3.33Å; I262-F303 HydrophobicContact CD1-CZ 3.35Å; I262-F303 HydrophobicContact CG2-CD2 4.42Å; I262-F303 HydrophobicContact CG2-CE2 4.48Å; L268-F303 HydrophobicContact CD2-CD2 3.94Å; I272-F303 HydrophobicContact CD1-CD2 4.41Å; I272-F303 HydrophobicContact CG1-CD2 3.96Å; I272-F303 HydrophobicContact CG1-CE2 3.76Å; T275-F303 HydrophobicContact CG2-CZ 4.33Å; I293-F303 HydrophobicContact CG2-CE1 3.9Å; I293-F303 HydrophobicContact CG2-CZ 4Å; V295-F303 HydrophobicContact CB-CD1 4.43Å; V295-F303 HydrophobicContact CG1-CB 3.83Å; V295-F303 HydrophobicContact CG1-CD1 4.19Å; V295-F303 HydrophobicContact CG1-CG 3.93Å; V295-F303 HydrophobicContact CG2-CD1 3.5Å; V295-F303 HydrophobicContact CG2-CE1 3.71Å; V295-F303 HydrophobicContact CG2-CG 4.03Å; V295-F303 HydrophobicContact CG2-CZ 4.39Å; I299-F303 WeakPolarHBondContact O-CB 3.42Å; I299-F303 PolarHBondContact O-N 3.43Å; Y300-F303 PolarHBondContact O-N 3.36Å; F303-K305 VanDerWaalsContact C-N 3.34Å; F303-K305 PolarHBondContact O-N 3.17Å; F303-R306 PolarHBondContact O-N 3.19Å; F303-F307 HydrophobicContact CD1-CB 4.18Å; F303-F307 HydrophobicContact CE1-CB 3.8Å; F303-F307 HydrophobicContact CE1-CD1 4.39Å; F303-F307 HydrophobicContact CE1-CD2 4.29Å; F303-F307 AromaticContact CE1-CG 3.91Å; F303-F307 HydrophobicContact CE1-CG 3.91Å; F303-F307 HydrophobicContact CZ-CB 4.05Å; F303-F307 AromaticContact CZ-CD2 3.93Å; F303-F307 HydrophobicContact CZ-CD2 3.93Å; F303-F307 HydrophobicContact CZ-CG 4.02Å; F303-F307 WeakPolarHBondContact O-CB 3.47Å; F303-F307 PolarHBondContact O-N 3.42Å; F303-V399 HydrophobicContact CD1-CG1 4.28Å; F303-V399 HydrophobicContact CE1-CG1 4.11Å
304L98.9Very high98.7Very high9 Ų955.3 Ų55.35%0.04726%0.262CS..Hα-helixtrans-59.2-46.2-175.8178.362.3000111Y300 F307 V308 W353 V377 T379 V399Y300-L304 HydrophobicContact CE1-CD2 4.17Å; Y300-L304 VanDerWaalsContact O-CB 3.28Å; Y300-L304 WeakPolarHBondContact O-CB 3.34Å; Y300-L304 PolarHBondContact O-N 3.42Å; L304-F307 PolarHBondContact O-N 2.96Å; L304-V308 HydrophobicContact CD1-CG2 3.94Å; L304-V308 HydrophobicContact CG-CG2 4.45Å; L304-V308 WeakPolarHBondContact O-CB 3.37Å; L304-V308 VanDerWaalsContact O-CG2 3.23Å; L304-V308 WeakPolarHBondContact O-CG2 3.45Å; L304-V308 PolarHBondContact O-N 2.98Å; L304-W353 HydrophobicContact CD2-CD2 4.37Å; L304-W353 HydrophobicContact CD2-CZ2 3.91Å; L304-V377 HydrophobicContact CD1-CG1 4.31Å; L304-T379 HydrophobicContact CD1-CG2 3.74Å; L304-T379 HydrophobicContact CD2-CG2 3.95Å; L304-V399 HydrophobicContact CD1-CB 4.3Å; L304-V399 HydrophobicContact CD1-CG1 4.34Å; L304-V399 HydrophobicContact CD1-CG2 4.49Å
305K98.8Very high98.6Very high121 Ų12159.3 Ų59.353%0.52628%0.28SS..Hα-helixtrans-56.4-55.7176.8-179.9-174.3172.9-168.70111.2T301 F303 F307 V308 E309T301-K305 WeakPolarHBondContact O-CB 3.3Å; T301-K305 PolarHBondContact O-N 3.11Å; T301-K305 VanDerWaalsContact O-N 3.13Å; F303-K305 VanDerWaalsContact C-N 3.34Å; F303-K305 PolarHBondContact O-N 3.17Å; K305-F307 VanDerWaalsContact C-N 3.34Å; K305-F307 PolarHBondContact O-N 3Å; K305-V308 PolarHBondContact O-N 2.91Å; K305-E309 VanDerWaalsContact CE-OE1 3.25Å; K305-E309 WeakPolarHBondContact CE-OE1 3.37Å; K305-E309 WeakPolarHBondContact O-CG 3.16Å; K305-E309 PolarHBondContact O-N 3.04Å
306R98.9Very high98.5Very high69 Ų6960 Ų6026%0.2628%0.284SS..Hα-helixtrans-65.8-36.4-177.8-68.1177.353.6170.52.1112.5D269 I272 E302 F303 E309 A310D269-R306 IonicContact OD1-CZ 3.92Å; D269-R306 IonicContact OD1-NH1 3.5Å; D269-R306 PolarHBondContact OD1-NH1 3.08Å; D269-R306 IonicContact OD1-NH2 3.1Å; D269-R306 PolarHBondContact OD1-NH2 2.83Å; I272-R306 HydrophobicContact CD1-CB 3.49Å; I272-R306 VanDerWaalsContact CD1-CB 3.49Å; I272-R306 HydrophobicContact CD1-CG 4.35Å; I272-R306 VanDerWaalsContact CD1-NE 3.32Å; E302-R306 WeakPolarHBondContact O-CG 3.33Å; E302-R306 PolarHBondContact O-N 3.01Å; E302-R306 VanDerWaalsContact O-N 3.11Å; E302-R306 WeakPolarHBondContact OE1-CD 3.22Å; F303-R306 PolarHBondContact O-N 3.19Å; R306-E309 PolarHBondContact O-N 3.37Å; R306-A310 WeakPolarHBondContact O-CB 3.14Å; R306-A310 PolarHBondContact O-N 3.06Å
307F98.9Very high98.4Very high0 Ų059.1 Ų59.10%028%0.281CS..Hα-helixtrans-66.4-43.2177.7-178.7-105.3000111.6T275 V276 F280 I293 F303 L304 K305 A310 T311 V377 T397 V399T275-F307 HydrophobicContact CG2-CD2 4.3Å; T275-F307 HydrophobicContact CG2-CE2 3.67Å; T275-F307 HydrophobicContact CG2-CZ 4.3Å; V276-F307 HydrophobicContact CB-CE2 4.32Å; V276-F307 HydrophobicContact CG2-CD2 3.67Å; V276-F307 HydrophobicContact CG2-CE2 3.48Å; V276-F307 VanDerWaalsContact CG2-CE2 3.48Å; V276-F307 HydrophobicContact CG2-CZ 4.38Å; F280-F307 HydrophobicContact CE2-CZ 4.05Å; F280-F307 HydrophobicContact CZ-CZ 4.35Å; I293-F307 HydrophobicContact CD1-CE1 3.91Å; I293-F307 HydrophobicContact CD1-CE2 4.15Å; I293-F307 HydrophobicContact CD1-CZ 3.59Å; F303-F307 HydrophobicContact CD1-CB 4.18Å; F303-F307 HydrophobicContact CE1-CB 3.8Å; F303-F307 HydrophobicContact CE1-CD1 4.39Å; F303-F307 HydrophobicContact CE1-CD2 4.29Å; F303-F307 AromaticContact CE1-CG 3.91Å; F303-F307 HydrophobicContact CE1-CG 3.91Å; F303-F307 HydrophobicContact CZ-CB 4.05Å; F303-F307 AromaticContact CZ-CD2 3.93Å; F303-F307 HydrophobicContact CZ-CD2 3.93Å; F303-F307 HydrophobicContact CZ-CG 4.02Å; F303-F307 WeakPolarHBondContact O-CB 3.47Å; F303-F307 PolarHBondContact O-N 3.42Å; L304-F307 PolarHBondContact O-N 2.96Å; K305-F307 VanDerWaalsContact C-N 3.34Å; K305-F307 PolarHBondContact O-N 3Å; F307-A310 PolarHBondContact O-N 2.92Å; F307-T311 VanDerWaalsContact O-CB 3.28Å; F307-T311 WeakPolarHBondContact O-CB 3.42Å; F307-T311 PolarHBondContact O-N 3.5Å; F307-T311 PolarHBondContact O-OG1 3.36Å; F307-V377 HydrophobicContact CD1-CG1 4.25Å; F307-V377 HydrophobicContact CD1-CG2 4.15Å; F307-V377 HydrophobicContact CE1-CG1 4.16Å; F307-V377 HydrophobicContact CE1-CG2 3.67Å; F307-T397 HydrophobicContact CE1-CG2 3.82Å; F307-T397 HydrophobicContact CZ-CG2 3.95Å; F307-V399 HydrophobicContact CD1-CG2 4.18Å; F307-V399 HydrophobicContact CE1-CG2 4.09Å
308V98.9Very high98.3Very high4 Ų455.5 Ų55.52%0.02427%0.268CS..Hα-helixtrans-64.5-43.4175169.60000111L304 K305 A310 T311 R312 W353 C354 V377L304-V308 HydrophobicContact CD1-CG2 3.94Å; L304-V308 HydrophobicContact CG-CG2 4.45Å; L304-V308 WeakPolarHBondContact O-CB 3.37Å; L304-V308 VanDerWaalsContact O-CG2 3.23Å; L304-V308 WeakPolarHBondContact O-CG2 3.45Å; L304-V308 PolarHBondContact O-N 2.98Å; K305-V308 PolarHBondContact O-N 2.91Å; V308-A310 PolarHBondContact O-N 3Å; V308-T311 PolarHBondContact O-N 3.16Å; V308-R312 PolarHBondContact O-N 2.86Å; V308-W353 HydrophobicContact CG1-CB 4.23Å; V308-W353 HydrophobicContact CG2-CB 3.64Å; V308-W353 HydrophobicContact CG2-CG 4.2Å; V308-C354 HydrophobicContact CG1-CB 4.02Å; V308-V377 HydrophobicContact CG2-CB 4.41Å; V308-V377 HydrophobicContact CG2-CG1 4.15Å
309E98.7Very high98.1Very high91 Ų9152.2 Ų52.243%0.42525%0.245SC..Hα-helixtrans-60.7-42.6175-74.1174.5-169.500112.3K305 R306 K313K305-E309 VanDerWaalsContact CE-OE1 3.25Å; K305-E309 WeakPolarHBondContact CE-OE1 3.37Å; K305-E309 WeakPolarHBondContact O-CG 3.16Å; K305-E309 PolarHBondContact O-N 3.04Å; R306-E309 PolarHBondContact O-N 3.37Å; E309-K313 WeakPolarHBondContact O-CG 3.39Å
310A98.8Very high97.9Very high26 Ų2655 Ų5522%0.21527%0.266CS..Hα-helixtrans-68.7-37.817600000112I272 V276 R306 F307 V308 K313 W314I272-A310 HydrophobicContact CG2-CB 3.75Å; V276-A310 HydrophobicContact CG2-CB 3.84Å; R306-A310 WeakPolarHBondContact O-CB 3.14Å; R306-A310 PolarHBondContact O-N 3.06Å; F307-A310 PolarHBondContact O-N 2.92Å; V308-A310 PolarHBondContact O-N 3Å; A310-K313 WeakPolarHBondContact O-CB 3.21Å; A310-K313 PolarHBondContact O-N 3.13Å; A310-K313 VanDerWaalsContact O-N 3.13Å; A310-W314 PolarHBondContact O-N 2.78Å
311T98.8Very high97.8Very high1 Ų155.1 Ų55.11%0.00627%0.269CS..Hα-helixtrans-63.7-42.4177.8-61.70000111.7F280 F307 V308 K313 W314 P375 V377F280-T311 HydrophobicContact CD2-CG2 4.24Å; F280-T311 HydrophobicContact CE2-CG2 3.45Å; F280-T311 VanDerWaalsContact CE2-CG2 3.45Å; F280-T311 HydrophobicContact CZ-CG2 3.67Å; F307-T311 VanDerWaalsContact O-CB 3.28Å; F307-T311 WeakPolarHBondContact O-CB 3.42Å; F307-T311 PolarHBondContact O-N 3.5Å; F307-T311 PolarHBondContact O-OG1 3.36Å; V308-T311 PolarHBondContact O-N 3.16Å; T311-K313 PolarHBondContact O-N 2.89Å; T311-W314 VanDerWaalsContact O-CB 3.22Å; T311-W314 WeakPolarHBondContact O-CB 3.43Å; T311-W314 PolarHBondContact O-N 3.38Å; T311-P375 HydrophobicContact CG2-CB 3.5Å; T311-P375 VanDerWaalsContact CG2-CB 3.5Å; T311-V377 HydrophobicContact CG2-CG2 3.89Å
312R98.2Very high97.5Very high127 Ų12755.2 Ų55.248%0.47927%0.272SS..Hα-helixtrans-62.2-24174.5-75.3-173.2171.7119.91.7113.8V308 W314 W353 C354 D359V308-R312 PolarHBondContact O-N 2.86Å; R312-W314 VanDerWaalsContact C-N 3.34Å; R312-W353 PolarHBondContact NH2-O 3.2Å; R312-C354 HydrophobicContact CG-CB 3.81Å; R312-D359 IonicContact CZ-OD1 3.82Å; R312-D359 IonicContact NE-OD1 2.74Å; R312-D359 PolarHBondContact NE-OD1 2.99Å; R312-D359 IonicContact NE-OD2 3.61Å; R312-D359 PolarHBondContact NE-OD2 2.96Å; R312-D359 IonicContact NH2-OD1 3.55Å; R312-D359 IonicContact NH2-OD2 2.92Å
313K97.8Very high97.4Very high165 Ų16556.7 Ų56.772%0.71728%0.282SS*.THydrogen-bonded Turntrans-81.7-12.4175.3-65.6171.5-175.5173.70112.8E309 A310 T311 K315E309-K313 WeakPolarHBondContact O-CG 3.39Å; A310-K313 WeakPolarHBondContact O-CB 3.21Å; A310-K313 PolarHBondContact O-N 3.13Å; A310-K313 VanDerWaalsContact O-N 3.13Å; T311-K313 PolarHBondContact O-N 2.89Å; K313-K315 PolarHBondContact O-N 3.34Å
314W97.5Very high97.3Very high52 Ų5257.1 Ų57.120%0.19729%0.285CS..SBendtrans-72.292.2176-165.9-98.9000109.8V276 R277 F280 A310 T311 R312 V316 S325 P375V276-W314 HydrophobicContact CG1-CB 4.29Å; V276-W314 HydrophobicContact CG1-CD2 4.09Å; V276-W314 HydrophobicContact CG1-CE3 3.69Å; V276-W314 HydrophobicContact CG1-CG 4.38Å; V276-W314 HydrophobicContact CG1-CZ3 4.38Å; R277-W314 HydrophobicContact CB-CH2 4.41Å; R277-W314 HydrophobicContact CG-CH2 4.28Å; F280-W314 HydrophobicContact CB-CG 4.34Å; F280-W314 PolarHBondContact O-NE1 3.34Å; A310-W314 PolarHBondContact O-N 2.78Å; T311-W314 VanDerWaalsContact O-CB 3.22Å; T311-W314 WeakPolarHBondContact O-CB 3.43Å; T311-W314 PolarHBondContact O-N 3.38Å; R312-W314 VanDerWaalsContact C-N 3.34Å; W314-V316 PolarHBondContact O-N 2.87Å; W314-S325 VanDerWaalsContact CE2-CB 3.42Å; W314-P375 HydrophobicContact CB-CG 4.25Å; W314-P375 HydrophobicContact CG-CG 4.39Å
315K96.9Very high97.2Very high85 Ų8558.6 Ų58.637%0.3730%0.296SS..  trans-70.1121.5-166.3-171.4-173.4-176.4-166.10111.4K313 D321 L323 S325 M326K313-K315 PolarHBondContact O-N 3.34Å; K315-D321 WeakPolarHBondContact CE-OD2 3.35Å; K315-D321 IonicContact NZ-OD1 3.87Å; K315-D321 IonicContact NZ-OD2 3.97Å; K315-D321 PolarHBondContact NZ-OD2 2.88Å; K315-L323 HydrophobicContact CD-CB 4.13Å; K315-L323 WeakPolarHBondContact CD-O 3.42Å; K315-S325 PolarHBondContact N-OG 2.94Å; K315-S325 PolarHBondContact O-N 3.37Å; K315-M326 PolarHBondContact O-N 3.16Å; K315-M326 VanDerWaalsContact O-N 3.08Å
316V98.1Very high97.1Very high14 Ų1452.8 Ų52.89%0.08527%0.271CS..BIsolated β-bridgetrans-86.4131166.3-1730000109.1W314 M326 L361 F372 L374 P375W314-V316 PolarHBondContact O-N 2.87Å; V316-M326 WeakPolarHBondContact CA-O 3.34Å; V316-M326 HydrophobicContact CG1-CE 4.43Å; V316-M326 HydrophobicContact CG2-CB 4.4Å; V316-M326 HydrophobicContact CG2-CE 3.39Å; V316-L361 HydrophobicContact CB-CD1 3.85Å; V316-L361 HydrophobicContact CG1-CD1 4Å; V316-L361 HydrophobicContact CG1-CD2 4.22Å; V316-F372 HydrophobicContact CG1-CB 4.35Å; V316-F372 HydrophobicContact CG1-CD1 3.87Å; V316-L374 HydrophobicContact CB-CD2 4.27Å; V316-L374 HydrophobicContact CG2-CD2 3.83Å; V316-P375 HydrophobicContact CG2-CG 4.32Å
317G96.1Very high97Very high6 Ų649.5 Ų49.56%0.06226%0.259CS..  trans-163.5178.2-179.400000112.6M326 F372G317-M326 PolarHBondContact N-O 2.77Å; G317-F372 WeakPolarHBondContact O-CE1 3.32Å
318I96.5Very high97Very high48 Ų4849.5 Ų49.525%0.24626%0.259CS..  trans-61.7144175.661.9176000110S320 D321 P364 S367I318-S320 PolarHBondContact O-N 2.87Å; I318-D321 HydrophobicContact CG1-CB 3.89Å; I318-D321 WeakPolarHBondContact O-CB 3.48Å; I318-D321 PolarHBondContact O-N 3.12Å; I318-P364 HydrophobicContact CG2-CG 3.99Å; I318-S367 VanDerWaalsContact CG2-OG 3.26Å; I318-S367 WeakPolarHBondContact CG2-OG 3.22Å
319P95.2Very high97Very high11 Ų1149.3 Ų49.37%0.07126%0.258CS..THydrogen-bonded Turntrans-56-27.2-174.1-32.838.5000116.4S31 S92 K97 L99S31-P319 VanDerWaalsContact CB-CD 3.44Å; S92-P319 WeakPolarHBondContact OG-CB 3.3Å; K97-P319 WeakPolarHBondContact O-CB 3.4Å; L99-P319 PolarHBondContact N-O 3.29Å
320S94.3Very high97Very high86 Ų8645.4 Ų45.460%0.60124%0.24SC*.THydrogen-bonded Turntrans-84.2-9.6179.556.70000114.5I318 P322I318-S320 PolarHBondContact O-N 2.87Å; S320-P322 WeakPolarHBondContact O-CD 3.48Å
321D95.5Very high97Very high38 Ų3845.3 Ų45.320%0.20324%0.238CC..  trans-71.9116.8176177.21.2000109.5K315 I318 L323 A324K315-D321 WeakPolarHBondContact CE-OD2 3.35Å; K315-D321 IonicContact NZ-OD1 3.87Å; K315-D321 IonicContact NZ-OD2 3.97Å; K315-D321 PolarHBondContact NZ-OD2 2.88Å; I318-D321 HydrophobicContact CG1-CB 3.89Å; I318-D321 WeakPolarHBondContact O-CB 3.48Å; I318-D321 PolarHBondContact O-N 3.12Å; D321-L323 PolarHBondContact O-N 3.27Å; D321-L323 VanDerWaalsContact O-N 3.13Å; D321-L323 WeakPolarHBondContact OD1-CB 3.37Å; D321-L323 PolarHBondContact OD1-N 2.96Å; D321-A324 HydrophobicContact CB-CB 4.03Å; D321-A324 WeakPolarHBondContact O-CB 3.33Å; D321-A324 PolarHBondContact O-N 3.36Å
322P94Very high97Very high114 Ų11451.9 Ų51.974%0.7427%0.266SS*.THydrogen-bonded Turntrans-66.3-15.3-178.429-36.4000113.4S320S320-P322 WeakPolarHBondContact O-CD 3.48Å
323L95.1Very high97Very high124 Ų12449.5 Ų49.565%0.64927%0.274SS*.THydrogen-bonded Turntrans-92.3-9.7176.8-58178.4000112.8K315 D321K315-L323 HydrophobicContact CD-CB 4.13Å; K315-L323 WeakPolarHBondContact CD-O 3.42Å; D321-L323 PolarHBondContact O-N 3.27Å; D321-L323 VanDerWaalsContact O-N 3.13Å; D321-L323 WeakPolarHBondContact OD1-CB 3.37Å; D321-L323 PolarHBondContact OD1-N 2.96Å
324A96.6Very high97Very high8 Ų842.5 Ų42.57%0.06624%0.243CC..  trans-72.4130178.300000110.4T98 D321T98-A324 HydrophobicContact CG2-CB 4.1Å; D321-A324 HydrophobicContact CB-CB 4.03Å; D321-A324 WeakPolarHBondContact O-CB 3.33Å; D321-A324 PolarHBondContact O-N 3.36Å
325S97.4Very high97.1Very high40 Ų4040.5 Ų40.528%0.2824%0.236SC..SBendtrans-89.2-20.7171.8-460000111.8W314 K315W314-S325 VanDerWaalsContact CE2-CB 3.42Å; K315-S325 PolarHBondContact N-OG 2.94Å; K315-S325 PolarHBondContact O-N 3.37Å
326M96.8Very high97.1Very high0 Ų040.3 Ų40.30%024%0.237CC..BIsolated β-bridgetrans-147.4139.5-173.8-170.2167.190.200111.3F280 Q283 K315 V316 G317 M373 P375 P395F280-M326 HydrophobicContact CB-SD 4.43Å; Q283-M326 VanDerWaalsContact CA-SD 3.58Å; Q283-M326 HydrophobicContact CB-CG 4.14Å; Q283-M326 HydrophobicContact CB-SD 4.27Å; Q283-M326 HydrophobicContact CG-CG 3.58Å; Q283-M326 HydrophobicContact CG-SD 4.31Å; K315-M326 PolarHBondContact O-N 3.16Å; K315-M326 VanDerWaalsContact O-N 3.08Å; V316-M326 WeakPolarHBondContact CA-O 3.34Å; V316-M326 HydrophobicContact CG1-CE 4.43Å; V316-M326 HydrophobicContact CG2-CB 4.4Å; V316-M326 HydrophobicContact CG2-CE 3.39Å; G317-M326 PolarHBondContact N-O 2.77Å; M326-M373 WeakPolarHBondContact CE-O 3.5Å; M326-P375 HydrophobicContact CE-CG 3.73Å; M326-P375 HydrophobicContact SD-CG 4.21Å; M326-P395 HydrophobicContact CE-CB 3.84Å; M326-P395 HydrophobicContact CE-CG 3.93Å; M326-P395 HydrophobicContact SD-CB 3.78Å; M326-P395 HydrophobicContact SD-CG 4.38Å
327G98Very high97.1Very high0 Ų043.5 Ų43.50%025%0.249CC..  trans-102.2-146.6177.400000113.4G96 Q283G96-G327 CarbonylContact O-C 3.57Å; G96-G327 WeakPolarHBondContact O-CA 3.31Å; Q283-G327 WeakPolarHBondContact CG-O 3.42Å
328A98.3Very high97.3Very high0 Ų043.2 Ų43.20%025%0.247CC..  trans-90149.7178.500000111.4P30 G96 Q283 F372P30-A328 HydrophobicContact CB-CB 4.04Å; P30-A328 VanDerWaalsContact O-CB 3.28Å; P30-A328 WeakPolarHBondContact O-CB 3.19Å; G96-A328 CarbonylContact C-O 3.52Å; G96-A328 PolarHBondContact O-N 3.27Å; Q283-A328 WeakPolarHBondContact CG-O 3.2Å; Q283-A328 PolarHBondContact NE2-O 2.73Å; A328-F372 HydrophobicContact CB-CD1 3.9Å; A328-F372 HydrophobicContact CB-CD2 4.26Å; A328-F372 HydrophobicContact CB-CE1 3.75Å; A328-F372 HydrophobicContact CB-CE2 4.13Å; A328-F372 HydrophobicContact CB-CG 4.16Å; A328-F372 HydrophobicContact CB-CZ 3.89Å
329L98.8Very high97.4Very high0 Ų044 Ų440%025%0.247CC..  trans-68.1155.9169.6-7778.7000109.7P30 Q283 E285 S331 L335 V338 Y371 M373 P395P30-L329 VanDerWaalsContact CB-O 3.29Å; P30-L329 WeakPolarHBondContact CB-O 3.32Å; Q283-L329 HydrophobicContact CB-CD1 4.23Å; Q283-L329 HydrophobicContact CB-CG 4.19Å; Q283-L329 HydrophobicContact CG-CD1 4.44Å; E285-L329 WeakPolarHBondContact OE1-CA 3.46Å; E285-L329 WeakPolarHBondContact OE1-CB 3Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 2.9Å; L329-S331 VanDerWaalsContact O-N 3.13Å; L329-L335 HydrophobicContact CD2-CD1 4.48Å; L329-V338 HydrophobicContact CD2-CB 4.32Å; L329-V338 HydrophobicContact CD2-CG2 3.81Å; L329-Y371 PolarHBondContact N-O 3.19Å; L329-Y371 WeakPolarHBondContact O-CB 3.48Å; L329-M373 HydrophobicContact CD1-CB 3.79Å; L329-P395 HydrophobicContact CD1-CG 4.38Å
330I98.6Very high97.5Very high9 Ų945.9 Ų45.95%0.04626%0.26CS..SBendtrans-59.1-33.7-167.8-174.457.3000115.4P30 Q95 W154 L182 T183 E285 H334P30-I330 HydrophobicContact CG-CD1 4.23Å; P30-I330 WeakPolarHBondContact CG-O 3.29Å; Q95-I330 HydrophobicContact CG-CD1 4.21Å; Q95-I330 WeakPolarHBondContact O-CD1 3.36Å; W154-I330 HydrophobicContact CB-CG1 4.39Å; W154-I330 HydrophobicContact CD2-CB 4.2Å; W154-I330 HydrophobicContact CD2-CG1 3.99Å; W154-I330 HydrophobicContact CD2-CG2 3.93Å; W154-I330 HydrophobicContact CE3-CB 3.54Å; W154-I330 HydrophobicContact CE3-CD1 4.38Å; W154-I330 HydrophobicContact CE3-CG1 3.67Å; W154-I330 HydrophobicContact CE3-CG2 3.59Å; W154-I330 HydrophobicContact CG-CG1 4.31Å; W154-I330 HydrophobicContact CH2-CB 4.17Å; W154-I330 HydrophobicContact CH2-CG2 3.42Å; W154-I330 VanDerWaalsContact CH2-CG2 3.42Å; W154-I330 HydrophobicContact CZ2-CG2 3.79Å; W154-I330 HydrophobicContact CZ3-CB 3.55Å; W154-I330 HydrophobicContact CZ3-CG1 4.22Å; W154-I330 HydrophobicContact CZ3-CG2 3.35Å; L182-I330 HydrophobicContact CB-CD1 4.21Å; L182-I330 HydrophobicContact CB-CG1 4.03Å; L182-I330 HydrophobicContact CD1-CG1 3.92Å; T183-I330 HydrophobicContact CG2-CD1 3.5Å; E285-I330 PolarHBondContact OE1-N 3.46Å; I330-H334 HydrophobicContact CG2-CB 3.93Å
331S98.4Very high97.7Very high24 Ų2442.8 Ų42.817%0.16824%0.235CC..  trans-153.5157.8-174.673.20000112.7L329 A333 H334 L335L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 2.9Å; L329-S331 VanDerWaalsContact O-N 3.13Å; S331-A333 VanDerWaalsContact C-N 3.31Å; S331-A333 PolarHBondContact O-N 3.43Å; S331-H334 PolarHBondContact O-N 2.99Å; S331-H334 VanDerWaalsContact OG-CB 3.29Å; S331-H334 WeakPolarHBondContact OG-CB 3.29Å; S331-H334 PolarHBondContact OG-N 2.86Å; S331-H334 VanDerWaalsContact OG-N 3.11Å; S331-L335 PolarHBondContact O-N 2.88Å
332K98.1Very high97.8Very high138 Ų13841.3 Ų41.360%0.623%0.227SC*.Hα-helixtrans-56.8-43.4172.8-174.5176.2-180178.30112.4H334 L335 E336 Y371K332-H334 VanDerWaalsContact C-N 3.29Å; K332-H334 PolarHBondContact O-N 3.36Å; K332-L335 PolarHBondContact O-N 2.78Å; K332-E336 WeakPolarHBondContact O-CG 3.49Å; K332-E336 PolarHBondContact O-N 2.87Å; K332-Y371 HydrophobicContact CB-CD1 4.05Å; K332-Y371 HydrophobicContact CB-CE1 3.8Å
333A98.4Very high98Very high78 Ų7842.3 Ų42.365%0.64522%0.22SC*.Hα-helixtrans-62.6-39.3178.500000111.5S331 E336 K337S331-A333 VanDerWaalsContact C-N 3.31Å; S331-A333 PolarHBondContact O-N 3.43Å; A333-E336 PolarHBondContact O-N 3.01Å; A333-K337 PolarHBondContact O-N 2.84Å
334H98.6Very high98.1Very high18 Ų1841.4 Ų41.48%0.08321%0.208CC..Hα-helixtrans-69.4-42.2177-169.655.6000112.3W154 E285 I330 S331 K332 E336 K337 V338 F393W154-H334 AromaticContact CH2-CD2 4Å; W154-H334 AromaticContact CH2-NE2 3.84Å; E285-H334 IonicContact OE1-CD2 3.81Å; E285-H334 PolarHBondContact OE1-CD2 3.43Å; E285-H334 IonicContact OE1-NE2 2.77Å; E285-H334 PolarHBondContact OE1-NE2 3.01Å; I330-H334 HydrophobicContact CG2-CB 3.93Å; S331-H334 PolarHBondContact O-N 2.99Å; S331-H334 VanDerWaalsContact OG-CB 3.29Å; S331-H334 WeakPolarHBondContact OG-CB 3.29Å; S331-H334 PolarHBondContact OG-N 2.86Å; S331-H334 VanDerWaalsContact OG-N 3.11Å; K332-H334 VanDerWaalsContact C-N 3.29Å; K332-H334 PolarHBondContact O-N 3.36Å; H334-E336 VanDerWaalsContact C-N 3.32Å; H334-E336 PolarHBondContact O-N 2.63Å; H334-K337 WeakPolarHBondContact O-CB 3.36Å; H334-K337 PolarHBondContact O-N 3.11Å; H334-K337 VanDerWaalsContact O-N 3.16Å; H334-V338 WeakPolarHBondContact O-CG2 3.41Å; H334-V338 PolarHBondContact O-N 2.99Å; H334-F393 PolarHBondContact CE1-O 3.06Å; H334-F393 PolarHBondContact NE2-O 3.32Å
335L98.6Very high98.1Very high9 Ų941 Ų415%0.04720%0.204CC..Hα-helixtrans-55.5-46.1172.7176.462.7000112L329 S331 K332 V338 R339 M373L329-L335 HydrophobicContact CD2-CD1 4.48Å; S331-L335 PolarHBondContact O-N 2.88Å; K332-L335 PolarHBondContact O-N 2.78Å; L335-V338 PolarHBondContact O-N 2.97Å; L335-R339 WeakPolarHBondContact O-CG 3.27Å; L335-R339 PolarHBondContact O-N 3.32Å; L335-M373 HydrophobicContact CD1-CB 3.84Å; L335-M373 HydrophobicContact CD1-CE 4.03Å
336E98.5Very high98.1Very high82 Ų8243.4 Ų43.438%0.38321%0.214SC..Hα-helixtrans-67.6-35.9177.9-68.1-52.2136.500112.7K332 A333 H334 R339 S340K332-E336 WeakPolarHBondContact O-CG 3.49Å; K332-E336 PolarHBondContact O-N 2.87Å; A333-E336 PolarHBondContact O-N 3.01Å; H334-E336 VanDerWaalsContact C-N 3.32Å; H334-E336 PolarHBondContact O-N 2.63Å; E336-R339 PolarHBondContact O-N 3.44Å; E336-R339 IonicContact OE1-CZ 3.51Å; E336-R339 IonicContact OE1-NH1 2.75Å; E336-R339 PolarHBondContact OE1-NH1 2.87Å; E336-S340 PolarHBondContact O-N 3.06Å
337K98.4Very high98.1Very high80 Ų8047.7 Ų47.735%0.34825%0.249SC..Hα-helixtrans-56.5-51.6169.9179.9-160.1169.2-156.10110.1A333 H334 R339 S340 Y341 E391 I392A333-K337 PolarHBondContact O-N 2.84Å; H334-K337 WeakPolarHBondContact O-CB 3.36Å; H334-K337 PolarHBondContact O-N 3.11Å; H334-K337 VanDerWaalsContact O-N 3.16Å; K337-R339 PolarHBondContact O-N 3.38Å; K337-S340 WeakPolarHBondContact O-CB 3.33Å; K337-S340 PolarHBondContact O-N 3.27Å; K337-S340 VanDerWaalsContact O-N 3.11Å; K337-S340 PolarHBondContact O-OG 3.35Å; K337-Y341 HydrophobicContact CG-CE2 4.19Å; K337-Y341 WeakPolarHBondContact O-CD2 3.47Å; K337-Y341 PolarHBondContact O-N 3.47Å; K337-E391 PolarHBondContact NZ-O 3.34Å; K337-I392 PolarHBondContact NZ-O 3.49Å; K337-I392 VanDerWaalsContact NZ-O 3.15Å
338V98.7Very high98Very high0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-62.5-43.6-178.3179.50000111.3L329 H334 L335 S340 Y341 I342 M373 I392 V396L329-V338 HydrophobicContact CD2-CB 4.32Å; L329-V338 HydrophobicContact CD2-CG2 3.81Å; H334-V338 WeakPolarHBondContact O-CG2 3.41Å; H334-V338 PolarHBondContact O-N 2.99Å; L335-V338 PolarHBondContact O-N 2.97Å; V338-S340 PolarHBondContact O-N 3.26Å; V338-Y341 PolarHBondContact O-N 3.06Å; V338-Y341 VanDerWaalsContact O-N 3.15Å; V338-I342 PolarHBondContact O-N 2.95Å; V338-M373 HydrophobicContact CB-CE 4.3Å; V338-M373 HydrophobicContact CB-SD 4.26Å; V338-M373 HydrophobicContact CG1-CE 3.87Å; V338-M373 HydrophobicContact CG1-SD 3.42Å; V338-M373 WeakPolarHBondContact CG1-SD 3.42Å; V338-I392 HydrophobicContact CB-CG2 4.35Å; V338-I392 HydrophobicContact CG1-CG2 3.85Å; V338-I392 HydrophobicContact CG2-CG2 4.21Å; V338-V396 HydrophobicContact CG1-CG2 3.66Å
339R98.4Very high98Very high66 Ų6655 Ų5525%0.24930%0.299CS..Hα-helixtrans-57.7-35174-75.8178.4165.8146.44.7112.9L335 E336 K337 Y341 I342 K343 E356 M373L335-R339 WeakPolarHBondContact O-CG 3.27Å; L335-R339 PolarHBondContact O-N 3.32Å; E336-R339 PolarHBondContact O-N 3.44Å; E336-R339 IonicContact OE1-CZ 3.51Å; E336-R339 IonicContact OE1-NH1 2.75Å; E336-R339 PolarHBondContact OE1-NH1 2.87Å; K337-R339 PolarHBondContact O-N 3.38Å; R339-Y341 VanDerWaalsContact C-N 3.31Å; R339-Y341 PolarHBondContact O-N 3.06Å; R339-I342 PolarHBondContact O-N 3.11Å; R339-K343 WeakPolarHBondContact O-CG 3.43Å; R339-K343 PolarHBondContact O-N 3.25Å; R339-E356 IonicContact CZ-OE1 3.72Å; R339-E356 IonicContact NE-OE1 3.26Å; R339-E356 PolarHBondContact NE-OE1 3.34Å; R339-E356 IonicContact NH2-OE1 3.46Å; R339-E356 PolarHBondContact NH2-OE1 3.21Å; R339-M373 HydrophobicContact CB-CE 4.36Å; R339-M373 HydrophobicContact CG-CE 3.39Å
340S98.4Very high97.9Very high49 Ų4955.4 Ų55.434%0.34330%0.302SS..Hα-helixtrans-63.6-35.1179820000112.7E336 K337 V338 K343 R344E336-S340 PolarHBondContact O-N 3.06Å; K337-S340 WeakPolarHBondContact O-CB 3.33Å; K337-S340 PolarHBondContact O-N 3.27Å; K337-S340 VanDerWaalsContact O-N 3.11Å; K337-S340 PolarHBondContact O-OG 3.35Å; V338-S340 PolarHBondContact O-N 3.26Å; S340-K343 PolarHBondContact O-N 2.97Å; S340-R344 VanDerWaalsContact O-CG 3.3Å; S340-R344 WeakPolarHBondContact O-CG 3.46Å; S340-R344 PolarHBondContact O-N 3.37Å
341Y98.5Very high97.9Very high21 Ų2159.1 Ų59.18%0.08232%0.319CS..Hα-helixtrans-66.1-43.5175-80.3-82.8000112K337 V338 R339 K343 R344 A345 C386 C387 E390 I392K337-Y341 HydrophobicContact CG-CE2 4.19Å; K337-Y341 WeakPolarHBondContact O-CD2 3.47Å; K337-Y341 PolarHBondContact O-N 3.47Å; V338-Y341 PolarHBondContact O-N 3.06Å; V338-Y341 VanDerWaalsContact O-N 3.15Å; R339-Y341 VanDerWaalsContact C-N 3.31Å; R339-Y341 PolarHBondContact O-N 3.06Å; Y341-K343 VanDerWaalsContact C-N 3.34Å; Y341-K343 PolarHBondContact O-N 3.44Å; Y341-R344 PolarHBondContact O-N 3.43Å; Y341-A345 PolarHBondContact O-N 2.9Å; Y341-C386 HydrophobicContact CD1-CB 4.47Å; Y341-C386 HydrophobicContact CE1-CB 4.2Å; Y341-C387 PolarHBondContact O-SG 3.17Å; Y341-C387 VanDerWaalsContact O-SG 3.39Å; Y341-E390 HydrophobicContact CE1-CB 3.96Å; Y341-E390 VanDerWaalsContact CE1-OE2 3.27Å; Y341-E390 WeakPolarHBondContact CE1-OE2 3.41Å; Y341-E390 VanDerWaalsContact CZ-OE2 3.3Å; Y341-E390 PolarHBondContact OH-OE2 3.42Å; Y341-I392 HydrophobicContact CD1-CD1 4.43Å; Y341-I392 HydrophobicContact CD1-CG1 3.88Å; Y341-I392 HydrophobicContact CD2-CB 4.38Å; Y341-I392 HydrophobicContact CD2-CG1 4.21Å; Y341-I392 HydrophobicContact CD2-CG2 3.95Å; Y341-I392 HydrophobicContact CE1-CG1 4.32Å; Y341-I392 HydrophobicContact CG-CB 4.44Å; Y341-I392 HydrophobicContact CG-CD1 4.33Å; Y341-I392 HydrophobicContact CG-CG1 3.83Å; Y341-I392 HydrophobicContact CG-CG2 4.14Å
342I98.1Very high97.9Very high8 Ų859.1 Ų59.14%0.04132%0.317CS..Hα-helixtrans-61.8-44178-58.6174000110.4V338 R339 R344 A345 L346 I352 E356 M373 T376 V396V338-I342 PolarHBondContact O-N 2.95Å; R339-I342 PolarHBondContact O-N 3.11Å; I342-R344 VanDerWaalsContact C-N 3.33Å; I342-R344 PolarHBondContact O-N 3.07Å; I342-A345 PolarHBondContact O-N 3.33Å; I342-L346 PolarHBondContact O-N 2.93Å; I342-L346 VanDerWaalsContact O-N 3.08Å; I342-I352 HydrophobicContact CG2-CD1 3.44Å; I342-I352 VanDerWaalsContact CG2-CD1 3.44Å; I342-E356 HydrophobicContact CD1-CB 3.77Å; I342-E356 HydrophobicContact CD1-CG 4.13Å; I342-M373 HydrophobicContact CD1-CE 3.73Å; I342-M373 HydrophobicContact CD1-SD 4.09Å; I342-T376 HydrophobicContact CD1-CG2 4.12Å; I342-V396 HydrophobicContact CD1-CG2 3.92Å; I342-V396 HydrophobicContact CG1-CG1 4.44Å; I342-V396 HydrophobicContact CG1-CG2 4.06Å
343K97.6Very high97.9Very high134 Ų13457.1 Ų57.158%0.58331%0.306SS*.Hα-helixtrans-60-41.7174.9-70.9172.9-177.5173.30112.2R339 S340 Y341 A347R339-K343 WeakPolarHBondContact O-CG 3.43Å; R339-K343 PolarHBondContact O-N 3.25Å; S340-K343 PolarHBondContact O-N 2.97Å; Y341-K343 VanDerWaalsContact C-N 3.34Å; Y341-K343 PolarHBondContact O-N 3.44Å; K343-A347 PolarHBondContact O-N 3.37Å; K343-A347 VanDerWaalsContact O-N 3.11Å
344R97.1Very high97.9Very high105 Ų10553.5 Ų53.540%0.39628%0.276SS..Hα-helixtrans-64.9-44.7176.5-72.5171.770.9-175.32.8111.6S340 Y341 I342 L346 A347 E348 C386 E390S340-R344 VanDerWaalsContact O-CG 3.3Å; S340-R344 WeakPolarHBondContact O-CG 3.46Å; S340-R344 PolarHBondContact O-N 3.37Å; Y341-R344 PolarHBondContact O-N 3.43Å; I342-R344 VanDerWaalsContact C-N 3.33Å; I342-R344 PolarHBondContact O-N 3.07Å; R344-L346 VanDerWaalsContact C-N 3.33Å; R344-L346 PolarHBondContact O-N 3.19Å; R344-A347 WeakPolarHBondContact O-CB 3.39Å; R344-A347 PolarHBondContact O-N 3.45Å; R344-A347 VanDerWaalsContact O-N 3.11Å; R344-E348 WeakPolarHBondContact O-CG 3.29Å; R344-E348 PolarHBondContact O-N 3.5Å; R344-C386 PolarHBondContact NE-SG 2.99Å; R344-C386 VanDerWaalsContact NE-SG 3.36Å; R344-C386 VanDerWaalsContact NH2-CB 3.25Å; R344-E390 IonicContact NH1-OE2 3.74Å
345A97.4Very high97.9Very high0 Ų052.7 Ų52.70%027%0.272CS..Hα-helixtrans-57.9-4517700000112Y341 I342 A347 E348 G349 A350 I378 I381Y341-A345 PolarHBondContact O-N 2.9Å; I342-A345 PolarHBondContact O-N 3.33Å; A345-A347 VanDerWaalsContact C-N 3.34Å; A345-A347 PolarHBondContact O-N 3.28Å; A345-E348 PolarHBondContact O-N 2.93Å; A345-E348 VanDerWaalsContact O-N 3.14Å; A345-G349 PolarHBondContact O-N 2.59Å; A345-A350 HydrophobicContact CB-CB 4.01Å; A345-A350 WeakPolarHBondContact O-CB 3.24Å; A345-A350 PolarHBondContact O-N 2.9Å; A345-I378 HydrophobicContact CB-CD1 3.96Å; A345-I378 HydrophobicContact CB-CG2 4.24Å; A345-I381 HydrophobicContact CB-CD1 4.2Å
346L96.6Very high97.7Very high91 Ų9154.1 Ų54.148%0.47628%0.279SS..Hα-helixtrans-60.6-42.2174.8-73.8171000112.4I342 R344 E348 G349 I352I342-L346 PolarHBondContact O-N 2.93Å; I342-L346 VanDerWaalsContact O-N 3.08Å; R344-L346 VanDerWaalsContact C-N 3.33Å; R344-L346 PolarHBondContact O-N 3.19Å; L346-E348 PolarHBondContact O-N 2.98Å; L346-G349 PolarHBondContact O-N 3.27Å; L346-I352 HydrophobicContact CD1-CD1 3.74Å; L346-I352 HydrophobicContact CD2-CD1 3.67Å; L346-I352 HydrophobicContact CD2-CG1 3.84Å; L346-I352 HydrophobicContact CG-CD1 3.71Å; L346-I352 HydrophobicContact CG-CG1 4.28Å
347A97Very high97.4Very high90 Ų9054.1 Ų54.174%0.74430%0.3SS*.Hα-helixtrans-65.4-2617700000112.9K343 R344 A345 G349K343-A347 PolarHBondContact O-N 3.37Å; K343-A347 VanDerWaalsContact O-N 3.11Å; R344-A347 WeakPolarHBondContact O-CB 3.39Å; R344-A347 PolarHBondContact O-N 3.45Å; R344-A347 VanDerWaalsContact O-N 3.11Å; A345-A347 VanDerWaalsContact C-N 3.34Å; A345-A347 PolarHBondContact O-N 3.28Å; A347-G349 VanDerWaalsContact C-N 3.28Å
348E96.4Very high97.3Very high96 Ų9653.7 Ų53.745%0.44931%0.305SS..THydrogen-bonded Turntrans-82.7-1.9174.4-68.5170-162.200113.2R344 A345 L346 S385R344-E348 WeakPolarHBondContact O-CG 3.29Å; R344-E348 PolarHBondContact O-N 3.5Å; A345-E348 PolarHBondContact O-N 2.93Å; A345-E348 VanDerWaalsContact O-N 3.14Å; L346-E348 PolarHBondContact O-N 2.98Å; E348-S385 WeakPolarHBondContact OE2-CB 3.24Å; E348-S385 PolarHBondContact OE2-OG 3.48Å
349G96.8Very high97.2Very high58 Ų5856.4 Ų56.460%0.59832%0.319SS*.THydrogen-bonded Turntrans9010.8179.200000114.9A345 L346 A347A345-G349 PolarHBondContact O-N 2.59Å; L346-G349 PolarHBondContact O-N 3.27Å; A347-G349 VanDerWaalsContact C-N 3.28Å
350A97.9Very high97Very high8 Ų862.3 Ų62.37%0.06635%0.346CS..PPolyproline II helixtrans-68.9154.2176.700000111.9A345 I378 T379 I381A345-A350 HydrophobicContact CB-CB 4.01Å; A345-A350 WeakPolarHBondContact O-CB 3.24Å; A345-A350 PolarHBondContact O-N 2.9Å; A350-I378 HydrophobicContact CB-CG2 3.65Å; A350-T379 WeakPolarHBondContact CA-O 3.18Å; A350-T379 WeakPolarHBondContact CB-O 3.37Å; A350-I381 HydrophobicContact CB-CB 4.12Å; A350-I381 HydrophobicContact CB-CD1 4.37Å; A350-I381 HydrophobicContact CB-CG1 4.28Å
351Q98.1Very high96.8Very high86 Ų8662.6 Ų62.640%0.40234%0.344SS..EExtended strand (participates in β ladder)trans-102.8136.7177.4-177.5177.8-9.500111.1I378 T379 D380Q351-I378 CarbonylContact O-C 3.57Å; Q351-I378 WeakPolarHBondContact O-CA 3.39Å; Q351-T379 PolarHBondContact N-O 3.32Å; Q351-T379 PolarHBondContact O-N 3Å; Q351-D380 PolarHBondContact OE1-OD2 2.94Å
352I98.5Very high96.5Very high24 Ų2468.4 Ų68.412%0.12338%0.376CS..EExtended strand (participates in β ladder)trans-101.8120.4172.2-55176.6000109.2I342 L346 C354 V358 T376I342-I352 HydrophobicContact CG2-CD1 3.44Å; I342-I352 VanDerWaalsContact CG2-CD1 3.44Å; L346-I352 HydrophobicContact CD1-CD1 3.74Å; L346-I352 HydrophobicContact CD2-CD1 3.67Å; L346-I352 HydrophobicContact CD2-CG1 3.84Å; L346-I352 HydrophobicContact CG-CD1 3.71Å; L346-I352 HydrophobicContact CG-CG1 4.28Å; I352-C354 WeakPolarHBondContact CG2-O 3.36Å; I352-V358 HydrophobicContact CB-CG2 3.87Å; I352-V358 HydrophobicContact CG2-CB 4.5Å; I352-V358 HydrophobicContact CG2-CG2 3.56Å; I352-T376 HydrophobicContact CG2-CG2 3.82Å
353W98.4Very high96.3Very high97 Ų9769.3 Ų69.337%0.36738%0.381SS..EExtended strand (participates in β ladder)trans-89.9-31-177.2-80.184.4000114.2L304 V308 R312 V377 T379L304-W353 HydrophobicContact CD2-CD2 4.37Å; L304-W353 HydrophobicContact CD2-CZ2 3.91Å; V308-W353 HydrophobicContact CG1-CB 4.23Å; V308-W353 HydrophobicContact CG2-CB 3.64Å; V308-W353 HydrophobicContact CG2-CG 4.2Å; R312-W353 PolarHBondContact NH2-O 3.2Å; W353-V377 PolarHBondContact N-O 3.17Å; W353-T379 VanDerWaalsContact CD1-CG2 3.44Å; W353-T379 VanDerWaalsContact CD1-OG1 3.25Å; W353-T379 PolarHBondContact NE1-OG1 2.92Å
354C98.5Very high96.2Very high1 Ų166.3 Ų66.31%0.00738%0.375CS..EExtended strand (participates in β ladder)trans-158.6165.5176.265.80000110.2V308 R312 I352 D359 T376 V377V308-C354 HydrophobicContact CG1-CB 4.02Å; R312-C354 HydrophobicContact CG-CB 3.81Å; I352-C354 WeakPolarHBondContact CG2-O 3.36Å; C354-D359 VanDerWaalsContact CA-OD2 3.27Å; C354-D359 WeakPolarHBondContact CA-OD2 3.18Å; C354-D359 WeakPolarHBondContact CB-OD2 3.31Å; C354-T376 WeakPolarHBondContact O-CA 3.11Å; C354-V377 PolarHBondContact O-N 2.9Å
355G97.4Very high96Very high1 Ų165.8 Ų65.81%0.0139%0.393CS..SBendtrans100.3-140.9172.600000114.6G357 V358 D359 P375G355-G357 PolarHBondContact O-N 3.22Å; G355-V358 PolarHBondContact O-N 2.75Å; G355-V358 VanDerWaalsContact O-N 3.13Å; G355-D359 PolarHBondContact N-OD2 2.89Å; G355-D359 PolarHBondContact O-N 3.4Å; G355-P375 WeakPolarHBondContact CA-O 3.35Å
356E94.9Very high95.8Very high40 Ų4074 Ų7419%0.18742%0.424CS..THydrogen-bonded Turntrans-59.3128.7-173.9-171.177.7172.700111.4R339 I342 V358 M373 T376R339-E356 IonicContact CZ-OE1 3.72Å; R339-E356 IonicContact NE-OE1 3.26Å; R339-E356 PolarHBondContact NE-OE1 3.34Å; R339-E356 IonicContact NH2-OE1 3.46Å; R339-E356 PolarHBondContact NH2-OE1 3.21Å; I342-E356 HydrophobicContact CD1-CB 3.77Å; I342-E356 HydrophobicContact CD1-CG 4.13Å; E356-V358 PolarHBondContact O-N 3.35Å; E356-M373 HydrophobicContact CB-CE 4.22Å; E356-M373 HydrophobicContact CB-CG 4.25Å; E356-M373 HydrophobicContact CG-CE 3.87Å; E356-T376 PolarHBondContact N-OG1 3.44Å
357G91.6Very high95.8Very high81 Ų8169.9 Ų69.984%0.83540%0.403SS*.THydrogen-bonded Turntrans80.7-7.6179.600000115.2G355G355-G357 PolarHBondContact O-N 3.22Å
358V96.2Very high95.7Very high72 Ų7271.5 Ų71.544%0.43640%0.395SS..THydrogen-bonded Turntrans-114.3-53.1178.4176.30000111.1I352 G355 E356I352-V358 HydrophobicContact CB-CG2 3.87Å; I352-V358 HydrophobicContact CG2-CB 4.5Å; I352-V358 HydrophobicContact CG2-CG2 3.56Å; G355-V358 PolarHBondContact O-N 2.75Å; G355-V358 VanDerWaalsContact O-N 3.13Å; E356-V358 PolarHBondContact O-N 3.35Å
359D96.7Very high95.7Very high56 Ų5670.2 Ų70.230%0.29940%0.401SS..SBendtrans-99.4156-177.7-63.8-49.4000110.6R312 C354 G355 L374R312-D359 IonicContact CZ-OD1 3.82Å; R312-D359 IonicContact NE-OD1 2.74Å; R312-D359 PolarHBondContact NE-OD1 2.99Å; R312-D359 IonicContact NE-OD2 3.61Å; R312-D359 PolarHBondContact NE-OD2 2.96Å; R312-D359 IonicContact NH2-OD1 3.55Å; R312-D359 IonicContact NH2-OD2 2.92Å; C354-D359 VanDerWaalsContact CA-OD2 3.27Å; C354-D359 WeakPolarHBondContact CA-OD2 3.18Å; C354-D359 WeakPolarHBondContact CB-OD2 3.31Å; G355-D359 PolarHBondContact N-OD2 2.89Å; G355-D359 PolarHBondContact O-N 3.4Å; D359-L374 HydrophobicContact CB-CD1 3.72Å; D359-L374 WeakPolarHBondContact O-CD1 3.49Å
360K94.1Very high95.7Very high190 Ų19068 Ų6883%0.82638%0.378SS*.PPolyproline II helixtrans-96128.8179.1-70.1-176.8179.1-1800111
361L94.5Very high95.7Very high55 Ų5568.7 Ų68.729%0.28838%0.379SS..PPolyproline II helixtrans-94.6123.1172.1-179.360000110.4V316 L363 F372 L374V316-L361 HydrophobicContact CB-CD1 3.85Å; V316-L361 HydrophobicContact CG1-CD1 4Å; V316-L361 HydrophobicContact CG1-CD2 4.22Å; L361-L363 HydrophobicContact CD1-CD2 4.23Å; L361-L363 HydrophobicContact CD1-CG 4.46Å; L361-L363 HydrophobicContact CD2-CD1 3.96Å; L361-L363 HydrophobicContact CD2-CD2 4.3Å; L361-L363 HydrophobicContact CD2-CG 4.12Å; L361-L363 HydrophobicContact CG-CD1 4.3Å; L361-L363 HydrophobicContact CG-CD2 4.22Å; L361-L363 HydrophobicContact CG-CG 3.96Å; L361-F372 HydrophobicContact CD2-CB 3.53Å; L361-F372 HydrophobicContact CD2-CG 4.5Å; L361-L374 HydrophobicContact CB-CD1 4.09Å; L361-L374 HydrophobicContact CB-CD2 4.22Å; L361-L374 HydrophobicContact CB-CG 4Å; L361-L374 HydrophobicContact CD1-CD2 3.81Å; L361-L374 HydrophobicContact CD1-CG 4.43Å; L361-L374 HydrophobicContact CG-CD2 4.46Å
362N92.3Very high95.7Very high144 Ų14465 Ų6577%0.7736%0.362SS*.  trans-104.2118.9175.5-64.5-44.8000109.7
363L94.8Very high95.7Very high27 Ų2763.9 Ų63.914%0.14136%0.356CS..  trans-120.3150.7178.8-64.4169.7000111.2L361 Q368 F372L361-L363 HydrophobicContact CD1-CD2 4.23Å; L361-L363 HydrophobicContact CD1-CG 4.46Å; L361-L363 HydrophobicContact CD2-CD1 3.96Å; L361-L363 HydrophobicContact CD2-CD2 4.3Å; L361-L363 HydrophobicContact CD2-CG 4.12Å; L361-L363 HydrophobicContact CG-CD1 4.3Å; L361-L363 HydrophobicContact CG-CD2 4.22Å; L361-L363 HydrophobicContact CG-CG 3.96Å; L363-Q368 PolarHBondContact O-NE2 3.29Å; L363-F372 HydrophobicContact CD1-CB 3.89Å; L363-F372 HydrophobicContact CD1-CD2 3.34Å; L363-F372 HydrophobicContact CD1-CE2 3.97Å; L363-F372 HydrophobicContact CD1-CG 3.7Å; L363-F372 HydrophobicContact CD2-CD1 4.21Å; L363-F372 HydrophobicContact CD2-CD2 4.21Å; L363-F372 HydrophobicContact CD2-CE1 4.39Å; L363-F372 HydrophobicContact CD2-CE2 4.38Å; L363-F372 HydrophobicContact CD2-CG 4.11Å; L363-F372 HydrophobicContact CD2-CZ 4.46Å; L363-F372 HydrophobicContact CG-CD2 4.41Å
364P94.4Very high95.7Very high71 Ų7160.4 Ų60.446%0.46135%0.345SS..  trans-56.3151.6167.9-22.433.7000111.7I318 R366 S367 Q368I318-P364 HydrophobicContact CG2-CG 3.99Å; P364-R366 PolarHBondContact O-N 2.9Å; P364-R366 VanDerWaalsContact O-N 3.11Å; P364-S367 PolarHBondContact O-N 3.22Å; P364-Q368 PolarHBondContact O-N 3.12Å
365A94.4Very high95.7Very high93 Ų9360.7 Ų60.777%0.76935%0.347SS*.G310 helixtrans-51.8-39.8-176.400000113.7S367 Q368A365-S367 PolarHBondContact O-N 2.86Å; A365-Q368 WeakPolarHBondContact O-CB 3.27Å; A365-Q368 WeakPolarHBondContact O-CG 3.36Å; A365-Q368 PolarHBondContact O-N 3.01Å
366R92.6Very high95.8Very high172 Ų17260.7 Ų60.765%0.64935%0.346SS*.G310 helixtrans-65.1-22.9179.2-173.3175.1-179.8-160.8-5114T32 E34 P364T32-R366 HydrophobicContact CG2-CG 4.2Å; E34-R366 IonicContact OE2-NH2 3.51Å; P364-R366 PolarHBondContact O-N 2.9Å; P364-R366 VanDerWaalsContact O-N 3.11Å
367S96.1Very high96Very high6 Ų658.8 Ų58.84%0.04234%0.337CS..G310 helixtrans-104.45.5-175.9-68.80000113.2S31 I318 P364 A365 A369 G370S31-S367 WeakPolarHBondContact O-CA 3.38Å; S31-S367 VanDerWaalsContact O-CB 3.27Å; S31-S367 WeakPolarHBondContact O-CB 3.49Å; S31-S367 PolarHBondContact O-OG 3.08Å; I318-S367 VanDerWaalsContact CG2-OG 3.26Å; I318-S367 WeakPolarHBondContact CG2-OG 3.22Å; P364-S367 PolarHBondContact O-N 3.22Å; A365-S367 PolarHBondContact O-N 2.86Å; S367-A369 PolarHBondContact O-N 2.71Å; S367-G370 PolarHBondContact O-N 2.88Å
368Q94.8Very high96.3Very high123 Ų12354.9 Ų54.958%0.57530%0.297SS*.THydrogen-bonded Turntrans-63.9-27.1179.1-70.6-67.7-22.400113.1L363 P364 A365L363-Q368 PolarHBondContact O-NE2 3.29Å; P364-Q368 PolarHBondContact O-N 3.12Å; A365-Q368 WeakPolarHBondContact O-CB 3.27Å; A365-Q368 WeakPolarHBondContact O-CG 3.36Å; A365-Q368 PolarHBondContact O-N 3.01Å
369A95.8Very high96.4Very high69 Ų6951.5 Ų51.557%0.5728%0.277SS*.THydrogen-bonded Turntrans-91.5-2.5174.400000113.6T32 S367T32-A369 CarbonylContact O-C 3.48Å; T32-A369 WeakPolarHBondContact O-CB 3.35Å; S367-A369 PolarHBondContact O-N 2.71Å
370G97.6Very high96.4Very high11 Ų1153.6 Ų53.611%0.11329%0.288CS..SBendtrans-73.1165.4176.300000112.8P30 S367 F372P30-G370 CarbonylContact O-C 3.52Å; P30-G370 VanDerWaalsContact O-CA 3.24Å; P30-G370 WeakPolarHBondContact O-CA 3.48Å; S367-G370 PolarHBondContact O-N 2.88Å; G370-F372 PolarHBondContact O-N 3.38Å
371Y98.4Very high96.6Very high23 Ų2345.1 Ų45.19%0.0925%0.252CS..  trans-96.854-166.5-44.6-35.6000112.3P30 G33 L329 K332P30-Y371 HydrophobicContact CB-CD2 3.8Å; P30-Y371 HydrophobicContact CB-CE2 4.25Å; P30-Y371 PolarHBondContact O-N 2.79Å; G33-Y371 WeakPolarHBondContact CA-OH 3.03Å; L329-Y371 PolarHBondContact N-O 3.19Å; L329-Y371 WeakPolarHBondContact O-CB 3.48Å; K332-Y371 HydrophobicContact CB-CD1 4.05Å; K332-Y371 HydrophobicContact CB-CE1 3.8Å
372F98.4Very high96.7Very high9 Ų950.1 Ų50.14%0.03927%0.271CS..  trans-88.1150.4-176-59.2-92.1000112.8S31 V316 G317 A328 L361 L363 G370S31-F372 WeakPolarHBondContact O-CE2 3.48Å; V316-F372 HydrophobicContact CG1-CB 4.35Å; V316-F372 HydrophobicContact CG1-CD1 3.87Å; G317-F372 WeakPolarHBondContact O-CE1 3.32Å; A328-F372 HydrophobicContact CB-CD1 3.9Å; A328-F372 HydrophobicContact CB-CD2 4.26Å; A328-F372 HydrophobicContact CB-CE1 3.75Å; A328-F372 HydrophobicContact CB-CE2 4.13Å; A328-F372 HydrophobicContact CB-CG 4.16Å; A328-F372 HydrophobicContact CB-CZ 3.89Å; L361-F372 HydrophobicContact CD2-CB 3.53Å; L361-F372 HydrophobicContact CD2-CG 4.5Å; L363-F372 HydrophobicContact CD1-CB 3.89Å; L363-F372 HydrophobicContact CD1-CD2 3.34Å; L363-F372 HydrophobicContact CD1-CE2 3.97Å; L363-F372 HydrophobicContact CD1-CG 3.7Å; L363-F372 HydrophobicContact CD2-CD1 4.21Å; L363-F372 HydrophobicContact CD2-CD2 4.21Å; L363-F372 HydrophobicContact CD2-CE1 4.39Å; L363-F372 HydrophobicContact CD2-CE2 4.38Å; L363-F372 HydrophobicContact CD2-CG 4.11Å; L363-F372 HydrophobicContact CD2-CZ 4.46Å; L363-F372 HydrophobicContact CG-CD2 4.41Å; G370-F372 PolarHBondContact O-N 3.38Å
373M97.8Very high96.9Very high0 Ų045.1 Ų45.10%024%0.244CC..  trans-145.6149.3173.1173.4175.9-89.900109M326 L329 L335 V338 R339 I342 E356 P395 V396M326-M373 WeakPolarHBondContact CE-O 3.5Å; L329-M373 HydrophobicContact CD1-CB 3.79Å; L335-M373 HydrophobicContact CD1-CB 3.84Å; L335-M373 HydrophobicContact CD1-CE 4.03Å; V338-M373 HydrophobicContact CB-CE 4.3Å; V338-M373 HydrophobicContact CB-SD 4.26Å; V338-M373 HydrophobicContact CG1-CE 3.87Å; V338-M373 HydrophobicContact CG1-SD 3.42Å; V338-M373 WeakPolarHBondContact CG1-SD 3.42Å; R339-M373 HydrophobicContact CB-CE 4.36Å; R339-M373 HydrophobicContact CG-CE 3.39Å; I342-M373 HydrophobicContact CD1-CE 3.73Å; I342-M373 HydrophobicContact CD1-SD 4.09Å; E356-M373 HydrophobicContact CB-CE 4.22Å; E356-M373 HydrophobicContact CB-CG 4.25Å; E356-M373 HydrophobicContact CG-CE 3.87Å; M373-P395 HydrophobicContact CB-CG 4.23Å; M373-P395 HydrophobicContact CG-CG 3.97Å; M373-P395 HydrophobicContact SD-CG 3.98Å; M373-V396 HydrophobicContact SD-CG2 4.47Å
374L98.4Very high97Very high25 Ų2550.7 Ų50.713%0.13127%0.27CS..  trans-82.9147.3174.1-71.2171000112.3V316 D359 L361 T376V316-L374 HydrophobicContact CB-CD2 4.27Å; V316-L374 HydrophobicContact CG2-CD2 3.83Å; D359-L374 HydrophobicContact CB-CD1 3.72Å; D359-L374 WeakPolarHBondContact O-CD1 3.49Å; L361-L374 HydrophobicContact CB-CD1 4.09Å; L361-L374 HydrophobicContact CB-CD2 4.22Å; L361-L374 HydrophobicContact CB-CG 4Å; L361-L374 HydrophobicContact CD1-CD2 3.81Å; L361-L374 HydrophobicContact CD1-CG 4.43Å; L361-L374 HydrophobicContact CG-CD2 4.46Å; L374-T376 PolarHBondContact O-N 3.08Å; L374-T376 PolarHBondContact O-OG1 3.18Å
375P98.6Very high97.2Very high7 Ų747.6 Ų47.65%0.04525%0.25CC..  trans-55.3120.8170.1-25.337.6000111.3F280 T311 W314 V316 M326 G355 P395F280-P375 HydrophobicContact CD1-CB 3.71Å; F280-P375 HydrophobicContact CD2-CB 4.07Å; F280-P375 HydrophobicContact CE1-CB 3.76Å; F280-P375 HydrophobicContact CE2-CB 4.13Å; F280-P375 HydrophobicContact CG-CB 3.86Å; F280-P375 HydrophobicContact CG-CG 4.39Å; F280-P375 HydrophobicContact CZ-CB 3.97Å; T311-P375 HydrophobicContact CG2-CB 3.5Å; T311-P375 VanDerWaalsContact CG2-CB 3.5Å; W314-P375 HydrophobicContact CB-CG 4.25Å; W314-P375 HydrophobicContact CG-CG 4.39Å; V316-P375 HydrophobicContact CG2-CG 4.32Å; M326-P375 HydrophobicContact CE-CG 3.73Å; M326-P375 HydrophobicContact SD-CG 4.21Å; G355-P375 WeakPolarHBondContact CA-O 3.35Å; P375-P395 WeakPolarHBondContact CA-O 3.43Å
376T98.8Very high97.3Very high0 Ų043.4 Ų43.40%022%0.215CC..EExtended strand (participates in β ladder)trans-115.4127.3-169-570000110.9I342 I352 C354 E356 L374 I378 P395 V396 T397I342-T376 HydrophobicContact CD1-CG2 4.12Å; I352-T376 HydrophobicContact CG2-CG2 3.82Å; C354-T376 WeakPolarHBondContact O-CA 3.11Å; E356-T376 PolarHBondContact N-OG1 3.44Å; L374-T376 PolarHBondContact O-N 3.08Å; L374-T376 PolarHBondContact O-OG1 3.18Å; T376-I378 HydrophobicContact CG2-CG1 4.23Å; T376-P395 PolarHBondContact N-O 3.4Å; T376-V396 WeakPolarHBondContact O-CA 3.32Å; T376-T397 PolarHBondContact O-N 3.16Å
377V98.9Very high97.5Very high0 Ų035.2 Ų35.20%018%0.184CC..EExtended strand (participates in β ladder)trans-113.3121.3179.9-179.50000109.4F280 L304 F307 V308 T311 W353 C354 T397 V399F280-V377 HydrophobicContact CZ-CG2 4.23Å; L304-V377 HydrophobicContact CD1-CG1 4.31Å; F307-V377 HydrophobicContact CD1-CG1 4.25Å; F307-V377 HydrophobicContact CD1-CG2 4.15Å; F307-V377 HydrophobicContact CE1-CG1 4.16Å; F307-V377 HydrophobicContact CE1-CG2 3.67Å; V308-V377 HydrophobicContact CG2-CB 4.41Å; V308-V377 HydrophobicContact CG2-CG1 4.15Å; T311-V377 HydrophobicContact CG2-CG2 3.89Å; W353-V377 PolarHBondContact N-O 3.17Å; C354-V377 PolarHBondContact O-N 2.9Å; V377-T397 HydrophobicContact CG2-CG2 4.25Å; V377-V399 HydrophobicContact CG1-CG2 3.78Å
378I98.8Very high97.6Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-112.1134.8-177.3-56.4178.3000109.8A345 A350 Q351 T376 I381 V396 T397 C398 V399A345-I378 HydrophobicContact CB-CD1 3.96Å; A345-I378 HydrophobicContact CB-CG2 4.24Å; A350-I378 HydrophobicContact CB-CG2 3.65Å; Q351-I378 CarbonylContact O-C 3.57Å; Q351-I378 WeakPolarHBondContact O-CA 3.39Å; T376-I378 HydrophobicContact CG2-CG1 4.23Å; I378-I381 HydrophobicContact CG2-CB 4.42Å; I378-I381 HydrophobicContact CG2-CD1 4.06Å; I378-V396 HydrophobicContact CD1-CG1 3.55Å; I378-V396 HydrophobicContact CG1-CG1 4.21Å; I378-T397 PolarHBondContact N-O 3.27Å; I378-C398 CarbonylContact O-C 3.58Å; I378-C398 VanDerWaalsContact O-CA 3.28Å; I378-C398 WeakPolarHBondContact O-CA 3.47Å; I378-V399 PolarHBondContact O-N 3.05Å
379T98.8Very high97.7Very high0 Ų031.4 Ų31.40%017%0.169CC..EExtended strand (participates in β ladder)trans-127.2-178.3172.464.30000111L304 A350 Q351 W353 I381 V399L304-T379 HydrophobicContact CD1-CG2 3.74Å; L304-T379 HydrophobicContact CD2-CG2 3.95Å; A350-T379 WeakPolarHBondContact CA-O 3.18Å; A350-T379 WeakPolarHBondContact CB-O 3.37Å; Q351-T379 PolarHBondContact N-O 3.32Å; Q351-T379 PolarHBondContact O-N 3Å; W353-T379 VanDerWaalsContact CD1-CG2 3.44Å; W353-T379 VanDerWaalsContact CD1-OG1 3.25Å; W353-T379 PolarHBondContact NE1-OG1 2.92Å; T379-I381 PolarHBondContact O-N 2.96Å; T379-V399 HydrophobicContact CG2-CB 4.25Å
380D97.3Very high97.8Very high100 Ų10031.3 Ų31.354%0.53516%0.156SC..SBendtrans56.139.6175.7-52.7-64.4000112Q351Q351-D380 PolarHBondContact OE1-OD2 2.94Å
381I97.5Very high97.8Very high13 Ų1332.5 Ų32.57%0.06716%0.159CC..  trans-117.2137.5-175.1-162.8169.7000110.1A345 A350 I378 T379 S385 C387 M388 C398 V400A345-I381 HydrophobicContact CB-CD1 4.2Å; A350-I381 HydrophobicContact CB-CB 4.12Å; A350-I381 HydrophobicContact CB-CD1 4.37Å; A350-I381 HydrophobicContact CB-CG1 4.28Å; I378-I381 HydrophobicContact CG2-CB 4.42Å; I378-I381 HydrophobicContact CG2-CD1 4.06Å; T379-I381 PolarHBondContact O-N 2.96Å; I381-S385 WeakPolarHBondContact CD1-OG 3.29Å; I381-C387 HydrophobicContact CD1-CB 3.52Å; I381-M388 HydrophobicContact CD1-CG 4.45Å; I381-M388 HydrophobicContact CG1-CG 4.38Å; I381-M388 HydrophobicContact CG2-CG 3.98Å; I381-M388 HydrophobicContact CG2-SD 4.09Å; I381-C398 HydrophobicContact CG2-CB 3.96Å; I381-V400 HydrophobicContact CG2-CG1 3.84Å
382K96.9Very high97.8Very high159 Ų15931.6 Ų31.669%0.69116%0.156SC*.  trans-79.4151.4-179.6-60.3-179.8-178.6176.20111.1E384 S385 M388K382-E384 WeakPolarHBondContact CB-OE2 3.24Å; K382-E384 PolarHBondContact O-N 3.43Å; K382-S385 WeakPolarHBondContact O-CB 3.28Å; K382-S385 PolarHBondContact O-N 3.19Å; K382-M388 VanDerWaalsContact O-CG 3.31Å; K382-M388 WeakPolarHBondContact O-CG 3.37Å
383D96.8Very high97.8Very high40 Ų4032.7 Ų32.721%0.21416%0.16CC..THydrogen-bonded Turntrans-61.5-27.6179.9-751000112.4S385 M388 T389 R411D383-S385 VanDerWaalsContact C-N 3.29Å; D383-S385 PolarHBondContact O-N 3.11Å; D383-M388 VanDerWaalsContact O-CB 3.26Å; D383-M388 WeakPolarHBondContact O-CB 3.45Å; D383-T389 VanDerWaalsContact O-CG2 3.32Å; D383-T389 WeakPolarHBondContact O-CG2 3.46Å; D383-R411 IonicContact OD1-CZ 3.68Å; D383-R411 IonicContact OD1-NE 2.77Å; D383-R411 IonicContact OD1-NH2 3.68Å; D383-R411 PolarHBondContact OD1-NH2 2.79Å; D383-R411 WeakPolarHBondContact OD2-CG 3.31Å; D383-R411 IonicContact OD2-CZ 3.42Å; D383-R411 IonicContact OD2-NE 2.78Å; D383-R411 PolarHBondContact OD2-NE 3.21Å; D383-R411 IonicContact OD2-NH2 3.72Å
384E96.4Very high97.8Very high143 Ų14332.9 Ų32.967%0.66816%0.163SC*.THydrogen-bonded Turntrans-78.4-10.7177.5-55.875.2-160.600113.5K382K382-E384 WeakPolarHBondContact CB-OE2 3.24Å; K382-E384 PolarHBondContact O-N 3.43Å
385S97.8Very high97.8Very high7 Ų731.7 Ų31.75%0.04916%0.157CC..SBendtrans-56.4146.4179178.50000111.1E348 I381 K382 D383 C387 M388 T389E348-S385 WeakPolarHBondContact OE2-CB 3.24Å; E348-S385 PolarHBondContact OE2-OG 3.48Å; I381-S385 WeakPolarHBondContact CD1-OG 3.29Å; K382-S385 WeakPolarHBondContact O-CB 3.28Å; K382-S385 PolarHBondContact O-N 3.19Å; D383-S385 VanDerWaalsContact C-N 3.29Å; D383-S385 PolarHBondContact O-N 3.11Å; S385-C387 PolarHBondContact O-N 3.23Å; S385-C387 PolarHBondContact OG-N 2.97Å; S385-M388 CarbonylContact O-C 3.57Å; S385-M388 WeakPolarHBondContact O-CA 3.19Å; S385-M388 PolarHBondContact O-N 2.73Å; S385-T389 PolarHBondContact O-N 2.9Å; S385-T389 PolarHBondContact O-OG1 3.25Å
386C96Very high97.9Very high5 Ų531.6 Ų31.63%0.03416%0.156CC..Hα-helixtrans-57-32.3171.363.80000112.5Y341 R344 M388 T389 E390Y341-C386 HydrophobicContact CD1-CB 4.47Å; Y341-C386 HydrophobicContact CE1-CB 4.2Å; R344-C386 PolarHBondContact NE-SG 2.99Å; R344-C386 VanDerWaalsContact NE-SG 3.36Å; R344-C386 VanDerWaalsContact NH2-CB 3.25Å; C386-M388 PolarHBondContact O-N 3.05Å; C386-T389 WeakPolarHBondContact CA-OG1 3.42Å; C386-T389 PolarHBondContact O-N 3.49Å; C386-E390 HydrophobicContact CB-CG 4.42Å; C386-E390 WeakPolarHBondContact O-CA 3.48Å; C386-E390 VanDerWaalsContact O-CB 3.3Å; C386-E390 WeakPolarHBondContact O-CB 3.42Å; C386-E390 PolarHBondContact O-N 3.26Å
387C97.4Very high97.8Very high0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-72.4-15.9176.2-70.60000112.8K257 Y341 I381 S385 I392K257-C387 WeakPolarHBondContact CE-O 3.17Å; K257-C387 PolarHBondContact NZ-O 3.18Å; Y341-C387 PolarHBondContact O-SG 3.17Å; Y341-C387 VanDerWaalsContact O-SG 3.39Å; I381-C387 HydrophobicContact CD1-CB 3.52Å; S385-C387 PolarHBondContact O-N 3.23Å; S385-C387 PolarHBondContact OG-N 2.97Å; C387-I392 HydrophobicContact CB-CD1 4.23Å
388M98.3Very high97.8Very high2 Ų231.6 Ų31.61%0.0116%0.156CC..Hα-helixtrans-99.1-21.5173.3-69.5-64.7-78.900112.5K257 R292 F294 I381 K382 D383 S385 C386 C398 V400K257-M388 WeakPolarHBondContact CG-O 3.47Å; R292-M388 HydrophobicContact CB-CE 4.4Å; R292-M388 HydrophobicContact CB-SD 4.5Å; R292-M388 VanDerWaalsContact CD-O 3.29Å; R292-M388 WeakPolarHBondContact CD-O 3.29Å; R292-M388 HydrophobicContact CG-CE 4.11Å; R292-M388 HydrophobicContact CG-SD 3.89Å; F294-M388 HydrophobicContact CE1-CE 4.18Å; F294-M388 HydrophobicContact CZ-CE 3.98Å; I381-M388 HydrophobicContact CD1-CG 4.45Å; I381-M388 HydrophobicContact CG1-CG 4.38Å; I381-M388 HydrophobicContact CG2-CG 3.98Å; I381-M388 HydrophobicContact CG2-SD 4.09Å; K382-M388 VanDerWaalsContact O-CG 3.31Å; K382-M388 WeakPolarHBondContact O-CG 3.37Å; D383-M388 VanDerWaalsContact O-CB 3.26Å; D383-M388 WeakPolarHBondContact O-CB 3.45Å; S385-M388 CarbonylContact O-C 3.57Å; S385-M388 WeakPolarHBondContact O-CA 3.19Å; S385-M388 PolarHBondContact O-N 2.73Å; C386-M388 PolarHBondContact O-N 3.05Å; M388-C398 HydrophobicContact SD-CB 3.36Å; M388-C398 WeakPolarHBondContact SD-CB 3.47Å; M388-V400 HydrophobicContact CE-CG1 4.34Å; M388-V400 HydrophobicContact CE-CG2 3.93Å
389T97.8Very high97.8Very high47 Ų4731.6 Ų31.629%0.28816%0.156SC..Hα-helixtrans-110.2-21.1-174.354.80000114.7D383 S385 C386 Y417D383-T389 VanDerWaalsContact O-CG2 3.32Å; D383-T389 WeakPolarHBondContact O-CG2 3.46Å; S385-T389 PolarHBondContact O-N 2.9Å; S385-T389 PolarHBondContact O-OG1 3.25Å; C386-T389 WeakPolarHBondContact CA-OG1 3.42Å; C386-T389 PolarHBondContact O-N 3.49Å; T389-Y417 WeakPolarHBondContact O-CE2 3.48Å
390E97.9Very high97.8Very high66 Ų6631.8 Ų31.831%0.30816%0.157SC..SBendtrans-114.8147.2-176.1-58.1174.5-160.600112.8K257 Y341 R344 C386 I392K257-E390 VanDerWaalsContact CD-O 3.24Å; K257-E390 WeakPolarHBondContact CD-O 3.29Å; K257-E390 WeakPolarHBondContact CE-O 3.35Å; K257-E390 PolarHBondContact NZ-O 3.03Å; Y341-E390 HydrophobicContact CE1-CB 3.96Å; Y341-E390 VanDerWaalsContact CE1-OE2 3.27Å; Y341-E390 WeakPolarHBondContact CE1-OE2 3.41Å; Y341-E390 VanDerWaalsContact CZ-OE2 3.3Å; Y341-E390 PolarHBondContact OH-OE2 3.42Å; R344-E390 IonicContact NH1-OE2 3.74Å; C386-E390 HydrophobicContact CB-CG 4.42Å; C386-E390 WeakPolarHBondContact O-CA 3.48Å; C386-E390 VanDerWaalsContact O-CB 3.3Å; C386-E390 WeakPolarHBondContact O-CB 3.42Å; C386-E390 PolarHBondContact O-N 3.26Å; E390-I392 PolarHBondContact O-N 2.87Å
391E97.7Very high97.9Very high37 Ų3729.5 Ų29.517%0.17315%0.148CC..  trans-75108.5174.8-171.5-179.4-126.300111.2G255 G256 K337 F393G255-E391 WeakPolarHBondContact CA-OE1 3.43Å; G255-E391 VanDerWaalsContact CA-OE2 3.29Å; G255-E391 WeakPolarHBondContact CA-OE2 3.49Å; G256-E391 PolarHBondContact N-OE1 2.58Å; G256-E391 WeakPolarHBondContact O-CB 3.48Å; G256-E391 WeakPolarHBondContact O-CG 2.89Å; K337-E391 PolarHBondContact NZ-O 3.34Å; E391-F393 HydrophobicContact CG-CB 4.17Å; E391-F393 HydrophobicContact CG-CD2 4Å
392I98.2Very high98Very high4 Ų429 Ų292%0.02115%0.145CC..  trans-71-46177.2-56.1175.8000109.7K337 V338 Y341 C387 E390 V396K337-I392 PolarHBondContact NZ-O 3.49Å; K337-I392 VanDerWaalsContact NZ-O 3.15Å; V338-I392 HydrophobicContact CB-CG2 4.35Å; V338-I392 HydrophobicContact CG1-CG2 3.85Å; V338-I392 HydrophobicContact CG2-CG2 4.21Å; Y341-I392 HydrophobicContact CD1-CD1 4.43Å; Y341-I392 HydrophobicContact CD1-CG1 3.88Å; Y341-I392 HydrophobicContact CD2-CB 4.38Å; Y341-I392 HydrophobicContact CD2-CG1 4.21Å; Y341-I392 HydrophobicContact CD2-CG2 3.95Å; Y341-I392 HydrophobicContact CE1-CG1 4.32Å; Y341-I392 HydrophobicContact CG-CB 4.44Å; Y341-I392 HydrophobicContact CG-CD1 4.33Å; Y341-I392 HydrophobicContact CG-CG1 3.83Å; Y341-I392 HydrophobicContact CG-CG2 4.14Å; C387-I392 HydrophobicContact CB-CD1 4.23Å; E390-I392 PolarHBondContact O-N 2.87Å; I392-V396 HydrophobicContact CD1-CB 4.02Å; I392-V396 HydrophobicContact CD1-CG1 3.84Å; I392-V396 HydrophobicContact CG2-CB 4.33Å; I392-V396 HydrophobicContact CG2-CG2 4.3Å
393F98.3Very high98.1Very high31 Ų3126 Ų2614%0.13614%0.136CC..  trans63.643.9-178.2-147.6-106.8000113.1W154 N155 G284 E285 C287 H334 E391W154-F393 AromaticContact CH2-CD1 3.47Å; W154-F393 HydrophobicContact CH2-CD1 3.47Å; W154-F393 VanDerWaalsContact CH2-CD1 3.47Å; W154-F393 AromaticContact CH2-CE1 3.33Å; W154-F393 HydrophobicContact CH2-CE1 3.33Å; W154-F393 AromaticContact CZ2-CD1 3.72Å; W154-F393 HydrophobicContact CZ2-CD1 3.72Å; W154-F393 AromaticContact CZ2-CE1 3.59Å; W154-F393 HydrophobicContact CZ2-CE1 3.59Å; W154-F393 HydrophobicContact CZ3-CD1 4.45Å; W154-F393 AromaticContact CZ3-CE1 3.99Å; W154-F393 HydrophobicContact CZ3-CE1 3.99Å; N155-F393 HydrophobicContact CB-CE1 3.96Å; N155-F393 HydrophobicContact CB-CZ 4.02Å; G284-F393 CarbonylContact O-C 3.54Å; E285-F393 HydrophobicContact CB-CD1 3.98Å; E285-F393 HydrophobicContact CB-CE1 3.77Å; E285-F393 HydrophobicContact CB-CZ 4.46Å; E285-F393 HydrophobicContact CG-CD1 4.28Å; C287-F393 HydrophobicContact CB-CE2 4.36Å; H334-F393 PolarHBondContact CE1-O 3.06Å; H334-F393 PolarHBondContact NE2-O 3.32Å; E391-F393 HydrophobicContact CG-CB 4.17Å; E391-F393 HydrophobicContact CG-CD2 4Å
394G98.4Very high98.1Very high5 Ų526.2 Ų26.25%0.05214%0.141CC..SBendtrans-150.5-176.9176.800000109.8Q283 G284 V396Q283-G394 CarbonylContact O-C 3.6Å; Q283-G394 WeakPolarHBondContact O-CA 3.37Å; G284-G394 PolarHBondContact O-N 3.3Å; G394-V396 PolarHBondContact O-N 3.16Å
395P98.4Very high98.3Very high0 Ų020.5 Ų20.50%012%0.115CC..SBendtrans-82.259.2-169.935.6-36000110.7F280 Q283 M326 L329 M373 P375 T376F280-P395 HydrophobicContact CD1-CB 3.92Å; Q283-P395 WeakPolarHBondContact O-CD 3.44Å; M326-P395 HydrophobicContact CE-CB 3.84Å; M326-P395 HydrophobicContact CE-CG 3.93Å; M326-P395 HydrophobicContact SD-CB 3.78Å; M326-P395 HydrophobicContact SD-CG 4.38Å; L329-P395 HydrophobicContact CD1-CG 4.38Å; M373-P395 HydrophobicContact CB-CG 4.23Å; M373-P395 HydrophobicContact CG-CG 3.97Å; M373-P395 HydrophobicContact SD-CG 3.98Å; P375-P395 WeakPolarHBondContact CA-O 3.43Å; T376-P395 PolarHBondContact N-O 3.4Å
396V98.8Very high98.3Very high4 Ų425.8 Ų25.82%0.02414%0.138CC..EExtended strand (participates in β ladder)trans-131.7126.5-175.2-174.10000109.3V338 I342 M373 T376 I378 I392 G394V338-V396 HydrophobicContact CG1-CG2 3.66Å; I342-V396 HydrophobicContact CD1-CG2 3.92Å; I342-V396 HydrophobicContact CG1-CG1 4.44Å; I342-V396 HydrophobicContact CG1-CG2 4.06Å; M373-V396 HydrophobicContact SD-CG2 4.47Å; T376-V396 WeakPolarHBondContact O-CA 3.32Å; I378-V396 HydrophobicContact CD1-CG1 3.55Å; I378-V396 HydrophobicContact CG1-CG1 4.21Å; I392-V396 HydrophobicContact CD1-CB 4.02Å; I392-V396 HydrophobicContact CD1-CG1 3.84Å; I392-V396 HydrophobicContact CG2-CB 4.33Å; I392-V396 HydrophobicContact CG2-CG2 4.3Å; G394-V396 PolarHBondContact O-N 3.16Å
397T98.6Very high98.4Very high0 Ų027.9 Ų27.90%015%0.148CC..EExtended strand (participates in β ladder)trans-132.2148.7174.8-168.20000111.5F280 I293 F307 T376 V377 I378F280-T397 HydrophobicContact CE1-CG2 4.3Å; F280-T397 HydrophobicContact CZ-CG2 3.83Å; I293-T397 HydrophobicContact CD1-CG2 3.87Å; I293-T397 WeakPolarHBondContact CD1-OG1 3.49Å; F307-T397 HydrophobicContact CE1-CG2 3.82Å; F307-T397 HydrophobicContact CZ-CG2 3.95Å; T376-T397 PolarHBondContact O-N 3.16Å; V377-T397 HydrophobicContact CG2-CG2 4.25Å; I378-T397 PolarHBondContact N-O 3.27Å
398C98.8Very high98.5Very high0 Ų027.9 Ų27.90%015%0.148CC..EExtended strand (participates in β ladder)trans-104135.3174.1-61.20000110.1S291 I293 I378 I381 M388S291-C398 PolarHBondContact O-N 2.81Å; S291-C398 VanDerWaalsContact O-N 3.12Å; I293-C398 PolarHBondContact N-O 3.24Å; I378-C398 CarbonylContact O-C 3.58Å; I378-C398 VanDerWaalsContact O-CA 3.28Å; I378-C398 WeakPolarHBondContact O-CA 3.47Å; I381-C398 HydrophobicContact CG2-CB 3.96Å; M388-C398 HydrophobicContact SD-CB 3.36Å; M388-C398 WeakPolarHBondContact SD-CB 3.47Å
399V98.9Very high98.5Very high0 Ų028.4 Ų28.40%015%0.151CC..EExtended strand (participates in β ladder)trans-119.4122.2177.3-169.70000108.8I293 V295 Y300 F303 L304 F307 V377 I378 T379I293-V399 HydrophobicContact CB-CB 4.49Å; I293-V399 HydrophobicContact CB-CG1 4.35Å; I293-V399 HydrophobicContact CB-CG2 4.16Å; I293-V399 HydrophobicContact CD1-CG2 4.02Å; I293-V399 HydrophobicContact CG2-CG1 4.25Å; I293-V399 CarbonylContact O-C 3.57Å; I293-V399 WeakPolarHBondContact O-CA 3.29Å; V295-V399 HydrophobicContact CG2-CG1 3.9Å; Y300-V399 HydrophobicContact CE2-CG1 4.1Å; F303-V399 HydrophobicContact CD1-CG1 4.28Å; F303-V399 HydrophobicContact CE1-CG1 4.11Å; L304-V399 HydrophobicContact CD1-CB 4.3Å; L304-V399 HydrophobicContact CD1-CG1 4.34Å; L304-V399 HydrophobicContact CD1-CG2 4.49Å; F307-V399 HydrophobicContact CD1-CG2 4.18Å; F307-V399 HydrophobicContact CE1-CG2 4.09Å; V377-V399 HydrophobicContact CG1-CG2 3.78Å; I378-V399 PolarHBondContact O-N 3.05Å; T379-V399 HydrophobicContact CG2-CB 4.25Å
400V98.8Very high98.5Very high5 Ų533.1 Ų33.13%0.0317%0.169CC..EExtended strand (participates in β ladder)trans-136.6145.4-177.2-650000111I293 F294 V295 I381 M388I293-V400 PolarHBondContact O-N 3.01Å; F294-V400 WeakPolarHBondContact CA-O 3.47Å; F294-V400 HydrophobicContact CD1-CG2 3.49Å; F294-V400 VanDerWaalsContact CD1-CG2 3.49Å; F294-V400 HydrophobicContact CE1-CG2 3.62Å; F294-V400 HydrophobicContact CG-CG2 4.29Å; V295-V400 PolarHBondContact N-O 3Å; I381-V400 HydrophobicContact CG2-CG1 3.84Å; M388-V400 HydrophobicContact CE-CG1 4.34Å; M388-V400 HydrophobicContact CE-CG2 3.93Å
401P98.8Very high98.6Very high52 Ų5231.9 Ų31.934%0.33816%0.162SC..EExtended strand (participates in β ladder)trans-76.6158.7176.731.6-33.9000111.8V295 Y300 R411V295-P401 CarbonylContact O-C 3.51Å; V295-P401 WeakPolarHBondContact O-CA 3.17Å; Y300-P401 HydrophobicContact CD2-CB 3.81Å; Y300-P401 HydrophobicContact CD2-CG 4.42Å; Y300-P401 HydrophobicContact CE2-CB 4.22Å; Y300-P401 HydrophobicContact CE2-CG 4.37Å; Y300-P401 HydrophobicContact CG-CB 3.98Å; P401-R411 PolarHBondContact O-NH1 3.04Å
402F98.8Very high98.6Very high1 Ų130.3 Ų30.30%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-138.3157.7164.773.3-91.5000111.1I261 I262 F263 F294 V295 Q296 K297 S404 V408I261-F402 HydrophobicContact CG2-CE1 4.09Å; I261-F402 HydrophobicContact CG2-CZ 4.03Å; I262-F402 WeakPolarHBondContact O-CE1 3.4Å; F263-F402 HydrophobicContact CD1-CE2 4.04Å; F263-F402 AromaticContact CD1-CZ 3.8Å; F263-F402 HydrophobicContact CD1-CZ 3.8Å; F263-F402 AromaticContact CE1-CE2 3.81Å; F263-F402 HydrophobicContact CE1-CE2 3.81Å; F263-F402 AromaticContact CE1-CZ 3.84Å; F263-F402 HydrophobicContact CE1-CZ 3.84Å; F263-F402 HydrophobicContact CG-CZ 4.3Å; F263-F402 HydrophobicContact CZ-CZ 4.38Å; F294-F402 HydrophobicContact CB-CD1 3.79Å; F294-F402 HydrophobicContact CB-CE1 4.25Å; V295-F402 WeakPolarHBondContact O-CD1 3.49Å; V295-F402 PolarHBondContact O-N 3.49Å; Q296-F402 HydrophobicContact CB-CE1 3.97Å; Q296-F402 HydrophobicContact CB-CE2 3.96Å; Q296-F402 HydrophobicContact CB-CZ 3.6Å; Q296-F402 HydrophobicContact CG-CE2 3.96Å; Q296-F402 HydrophobicContact CG-CZ 4.12Å; K297-F402 PolarHBondContact N-O 2.96Å; F402-S404 WeakPolarHBondContact CD2-O 3.4Å; F402-V408 HydrophobicContact CB-CB 3.99Å; F402-V408 HydrophobicContact CB-CG2 4.14Å; F402-V408 HydrophobicContact CD1-CB 4.1Å; F402-V408 HydrophobicContact CD1-CG2 3.71Å; F402-V408 HydrophobicContact CD2-CB 3.6Å; F402-V408 HydrophobicContact CD2-CG1 3.86Å; F402-V408 HydrophobicContact CD2-CG2 4.16Å; F402-V408 HydrophobicContact CE1-CB 4.46Å; F402-V408 HydrophobicContact CE1-CG2 4.05Å; F402-V408 HydrophobicContact CE2-CB 4.02Å; F402-V408 HydrophobicContact CE2-CG1 3.77Å; F402-V408 HydrophobicContact CE2-CG2 4.48Å; F402-V408 HydrophobicContact CG-CB 3.64Å; F402-V408 HydrophobicContact CG-CG1 4.33Å; F402-V408 HydrophobicContact CG-CG2 3.75Å; F402-V408 HydrophobicContact CZ-CB 4.42Å; F402-V408 HydrophobicContact CZ-CG1 4.15Å; F402-V408 HydrophobicContact CZ-CG2 4.43Å
403D98.5Very high98.6Very high96 Ų9631.1 Ų31.151%0.51316%0.16SC..  trans-101.6-40.1-177.5-70.7-80.9000112.6K297 E407K297-D403 WeakPolarHBondContact CD-OD1 3.17Å; K297-D403 IonicContact NZ-OD1 2.99Å; K297-D403 PolarHBondContact NZ-OD1 3.47Å; K297-D403 IonicContact NZ-OD2 2.68Å; D403-E407 PolarHBondContact N-OE2 3.09Å
404S98.6Very high98.6Very high46 Ų4635.1 Ų35.132%0.32218%0.182SC..  trans-131.6159.2-174.769.60000115.9F402 E406 E407 V408F402-S404 WeakPolarHBondContact CD2-O 3.4Å; S404-E406 VanDerWaalsContact C-N 3.33Å; S404-E406 PolarHBondContact O-N 3.13Å; S404-E407 PolarHBondContact N-OE2 3Å; S404-E407 WeakPolarHBondContact OG-CB 3.29Å; S404-E407 PolarHBondContact OG-N 3.19Å; S404-V408 WeakPolarHBondContact O-CG1 3.22Å; S404-V408 PolarHBondContact O-N 3.43Å; S404-V408 VanDerWaalsContact O-N 3.11Å
405E98.6Very high98.6Very high22 Ų2235.8 Ų35.810%0.10319%0.186CC..Hα-helixtrans-59.2-43.2176.1179.4177137.100111.1F263 V408 I409 R430 R433 V434F263-E405 HydrophobicContact CE1-CB 4.15Å; F263-E405 HydrophobicContact CE1-CG 4.42Å; F263-E405 HydrophobicContact CZ-CB 4.43Å; F263-E405 HydrophobicContact CZ-CG 4.24Å; E405-V408 WeakPolarHBondContact O-CG1 3.21Å; E405-I409 HydrophobicContact CG-CD1 4.01Å; E405-I409 VanDerWaalsContact O-CD1 3.3Å; E405-I409 WeakPolarHBondContact O-CD1 3.34Å; E405-I409 VanDerWaalsContact O-CG1 3.24Å; E405-I409 WeakPolarHBondContact O-CG1 3.45Å; E405-I409 PolarHBondContact O-N 2.96Å; E405-R430 WeakPolarHBondContact OE2-CG 3.44Å; E405-R430 IonicContact OE2-NE 3.56Å; E405-R433 IonicContact OE1-CZ 3.34Å; E405-R433 IonicContact OE1-NE 3.75Å; E405-R433 PolarHBondContact OE1-NE 2.9Å; E405-R433 VanDerWaalsContact OE1-NE 3.1Å; E405-R433 IonicContact OE1-NH2 3.79Å; E405-R433 IonicContact OE2-CZ 2.83Å; E405-R433 IonicContact OE2-NE 2.95Å; E405-R433 IonicContact OE2-NH2 3.88Å; E405-R433 PolarHBondContact OE2-NH2 3.28Å; E405-V434 HydrophobicContact CG-CG2 3.76Å
406E98.6Very high98.5Very high118 Ų11840.6 Ų40.655%0.55121%0.206SC*.Hα-helixtrans-65.5-48.5-180-70.165.6-14600112.1S404 I409 E410S404-E406 VanDerWaalsContact C-N 3.33Å; S404-E406 PolarHBondContact O-N 3.13Å; E406-I409 PolarHBondContact O-N 3.38Å; E406-E410 PolarHBondContact O-N 2.98Å; E406-E410 VanDerWaalsContact O-N 3.15Å
407E98.5Very high98.5Very high49 Ų4941.6 Ų41.623%0.22921%0.21CC..Hα-helixtrans-59.3-48.4179.1179-139.8145.400111.4D403 S404 I409 E410 R411D403-E407 PolarHBondContact N-OE2 3.09Å; S404-E407 PolarHBondContact N-OE2 3Å; S404-E407 WeakPolarHBondContact OG-CB 3.29Å; S404-E407 PolarHBondContact OG-N 3.19Å; E407-I409 VanDerWaalsContact C-N 3.29Å; E407-I409 PolarHBondContact O-N 3.26Å; E407-E410 PolarHBondContact O-N 3.23Å; E407-R411 HydrophobicContact CG-CG 4.5Å; E407-R411 VanDerWaalsContact O-CG 3.31Å; E407-R411 WeakPolarHBondContact O-CG 3.41Å; E407-R411 PolarHBondContact O-N 3.23Å; E407-R411 VanDerWaalsContact OE1-CD 3.23Å; E407-R411 WeakPolarHBondContact OE1-CD 3.47Å; E407-R411 IonicContact OE1-CZ 3Å; E407-R411 IonicContact OE1-NE 3.34Å; E407-R411 IonicContact OE1-NH1 3.57Å; E407-R411 PolarHBondContact OE1-NH1 3.26Å
408V98.8Very high98.5Very high0 Ų041.6 Ų41.60%021%0.21CC..Hα-helixtrans-67.9-31.3-176.872.20000112.4I261 F263 F294 F402 S404 E405 A412I261-V408 HydrophobicContact CB-CG2 4.5Å; I261-V408 HydrophobicContact CD1-CG1 4.31Å; I261-V408 HydrophobicContact CD1-CG2 4.07Å; I261-V408 HydrophobicContact CG1-CG2 3.96Å; I261-V408 HydrophobicContact CG2-CG1 3.83Å; I261-V408 HydrophobicContact CG2-CG2 3.88Å; F263-V408 HydrophobicContact CZ-CG1 4.26Å; F294-V408 HydrophobicContact CB-CG2 3.49Å; F294-V408 VanDerWaalsContact CB-CG2 3.49Å; F294-V408 HydrophobicContact CD1-CG2 4.13Å; F294-V408 HydrophobicContact CD2-CG2 4.44Å; F294-V408 HydrophobicContact CG-CG2 3.79Å; F402-V408 HydrophobicContact CB-CB 3.99Å; F402-V408 HydrophobicContact CB-CG2 4.14Å; F402-V408 HydrophobicContact CD1-CB 4.1Å; F402-V408 HydrophobicContact CD1-CG2 3.71Å; F402-V408 HydrophobicContact CD2-CB 3.6Å; F402-V408 HydrophobicContact CD2-CG1 3.86Å; F402-V408 HydrophobicContact CD2-CG2 4.16Å; F402-V408 HydrophobicContact CE1-CB 4.46Å; F402-V408 HydrophobicContact CE1-CG2 4.05Å; F402-V408 HydrophobicContact CE2-CB 4.02Å; F402-V408 HydrophobicContact CE2-CG1 3.77Å; F402-V408 HydrophobicContact CE2-CG2 4.48Å; F402-V408 HydrophobicContact CG-CB 3.64Å; F402-V408 HydrophobicContact CG-CG1 4.33Å; F402-V408 HydrophobicContact CG-CG2 3.75Å; F402-V408 HydrophobicContact CZ-CB 4.42Å; F402-V408 HydrophobicContact CZ-CG1 4.15Å; F402-V408 HydrophobicContact CZ-CG2 4.43Å; S404-V408 WeakPolarHBondContact O-CG1 3.22Å; S404-V408 PolarHBondContact O-N 3.43Å; S404-V408 VanDerWaalsContact O-N 3.11Å; E405-V408 WeakPolarHBondContact O-CG1 3.21Å; V408-A412 WeakPolarHBondContact O-CB 3.46Å; V408-A412 PolarHBondContact O-N 3.15Å
409I98.9Very high98.4Very high14 Ų1441.7 Ų41.77%0.07221%0.211CC..Hα-helixtrans-64.9-44.3173.6-74.2164.1000110.6E405 E406 E407 N413 V434 K437E405-I409 HydrophobicContact CG-CD1 4.01Å; E405-I409 VanDerWaalsContact O-CD1 3.3Å; E405-I409 WeakPolarHBondContact O-CD1 3.34Å; E405-I409 VanDerWaalsContact O-CG1 3.24Å; E405-I409 WeakPolarHBondContact O-CG1 3.45Å; E405-I409 PolarHBondContact O-N 2.96Å; E406-I409 PolarHBondContact O-N 3.38Å; E407-I409 VanDerWaalsContact C-N 3.29Å; E407-I409 PolarHBondContact O-N 3.26Å; I409-N413 VanDerWaalsContact O-CB 3.3Å; I409-N413 WeakPolarHBondContact O-CB 3.38Å; I409-N413 VanDerWaalsContact O-CG 3.29Å; I409-N413 PolarHBondContact O-N 2.9Å; I409-N413 PolarHBondContact O-ND2 2.88Å; I409-V434 HydrophobicContact CD1-CG1 4.47Å; I409-V434 HydrophobicContact CD1-CG2 4.16Å; I409-V434 HydrophobicContact CG1-CG1 4.22Å; I409-K437 HydrophobicContact CD1-CB 4.08Å; I409-K437 HydrophobicContact CD1-CD 3.59Å; I409-K437 HydrophobicContact CD1-CG 4.5Å; I409-K437 HydrophobicContact CG2-CB 3.86Å
410E98.6Very high98.4Very high145 Ų14541.7 Ų41.768%0.67821%0.211SC*.Hα-helixtrans-60.4-51.6177-175.8174.9-179.500110.8E406 E407 A412 N413 N414E406-E410 PolarHBondContact O-N 2.98Å; E406-E410 VanDerWaalsContact O-N 3.15Å; E407-E410 PolarHBondContact O-N 3.23Å; E410-A412 PolarHBondContact O-N 3.04Å; E410-N413 CarbonylContact O-C 3.43Å; E410-N413 PolarHBondContact O-N 3.47Å; E410-N413 VanDerWaalsContact O-N 3.16Å; E410-N414 WeakPolarHBondContact O-CB 3.32Å; E410-N414 PolarHBondContact O-N 2.83Å
411R98.6Very high98.4Very high40 Ų4041.5 Ų41.515%0.15121%0.21CC..Hα-helixtrans-62.2-41.2179-64.9172.264.5-163.2-2.4112.7R292 F294 D383 P401 E407 N413 N414R292-R411 PolarHBondContact NH1-O 3.21Å; F294-R411 HydrophobicContact CE1-CB 4Å; F294-R411 HydrophobicContact CZ-CB 4.33Å; D383-R411 IonicContact OD1-CZ 3.68Å; D383-R411 IonicContact OD1-NE 2.77Å; D383-R411 IonicContact OD1-NH2 3.68Å; D383-R411 PolarHBondContact OD1-NH2 2.79Å; D383-R411 WeakPolarHBondContact OD2-CG 3.31Å; D383-R411 IonicContact OD2-CZ 3.42Å; D383-R411 IonicContact OD2-NE 2.78Å; D383-R411 PolarHBondContact OD2-NE 3.21Å; D383-R411 IonicContact OD2-NH2 3.72Å; P401-R411 PolarHBondContact O-NH1 3.04Å; E407-R411 HydrophobicContact CG-CG 4.5Å; E407-R411 VanDerWaalsContact O-CG 3.31Å; E407-R411 WeakPolarHBondContact O-CG 3.41Å; E407-R411 PolarHBondContact O-N 3.23Å; E407-R411 VanDerWaalsContact OE1-CD 3.23Å; E407-R411 WeakPolarHBondContact OE1-CD 3.47Å; E407-R411 IonicContact OE1-CZ 3Å; E407-R411 IonicContact OE1-NE 3.34Å; E407-R411 IonicContact OE1-NH1 3.57Å; E407-R411 PolarHBondContact OE1-NH1 3.26Å; R411-N413 VanDerWaalsContact C-N 3.3Å; R411-N413 PolarHBondContact O-N 2.8Å; R411-N414 PolarHBondContact O-N 3.3Å
412A98.6Very high98.4Very high4 Ų439.1 Ų39.13%0.03319%0.194CC..Hα-helixtrans-62.3-39.3175.900000111.7P259 I261 R292 V408 E410 L438P259-A412 HydrophobicContact CB-CB 4.03Å; P259-A412 HydrophobicContact CG-CB 3.96Å; I261-A412 HydrophobicContact CD1-CB 3.91Å; R292-A412 PolarHBondContact NH1-O 3.29Å; R292-A412 PolarHBondContact NH2-O 3.37Å; V408-A412 WeakPolarHBondContact O-CB 3.46Å; V408-A412 PolarHBondContact O-N 3.15Å; E410-A412 PolarHBondContact O-N 3.04Å; A412-L438 HydrophobicContact CB-CD2 3.73Å
413N98.7Very high98.4Very high22 Ų2239.1 Ų39.112%0.11819%0.194CC..Hα-helixtrans-80.9-18.4179.4-74.1-24.3000114I409 E410 R411 V415 K437 Q439 K461I409-N413 VanDerWaalsContact O-CB 3.3Å; I409-N413 WeakPolarHBondContact O-CB 3.38Å; I409-N413 VanDerWaalsContact O-CG 3.29Å; I409-N413 PolarHBondContact O-N 2.9Å; I409-N413 PolarHBondContact O-ND2 2.88Å; E410-N413 CarbonylContact O-C 3.43Å; E410-N413 PolarHBondContact O-N 3.47Å; E410-N413 VanDerWaalsContact O-N 3.16Å; R411-N413 VanDerWaalsContact C-N 3.3Å; R411-N413 PolarHBondContact O-N 2.8Å; N413-V415 PolarHBondContact O-N 3.43Å; N413-K437 PolarHBondContact ND2-O 2.78Å; N413-Q439 HydrophobicContact CB-CG 4.48Å; N413-Q439 WeakPolarHBondContact OD1-CB 3.49Å; N413-Q439 PolarHBondContact OD1-N 3.27Å; N413-K461 PolarHBondContact O-NZ 2.92Å
414N97.9Very high98.4Very high115 Ų11534.8 Ų34.862%0.61517%0.171SC*.  trans-76.851.6-177.1-166.828.2000113.5E410 R411E410-N414 WeakPolarHBondContact O-CB 3.32Å; E410-N414 PolarHBondContact O-N 2.83Å; R411-N414 PolarHBondContact O-N 3.3Å
415V97.4Very high98.4Very high19 Ų1932.6 Ų32.612%0.11516%0.156CC..SBendtrans-140.9153.7170.1-680000108.8N413 Y417 K461N413-V415 PolarHBondContact O-N 3.43Å; V415-Y417 PolarHBondContact O-N 3.33Å; V415-K461 PolarHBondContact O-NZ 3.43Å
416K97.3Very high98.4Very high101 Ų10135.6 Ų35.644%0.43918%0.179SC..SBendtrans-65.7-21.5176.965.3174.5179.2166.60113.5K461 S462K416-K461 WeakPolarHBondContact O-CB 3.21Å; K416-S462 WeakPolarHBondContact O-CB 3.36Å; K416-S462 PolarHBondContact O-N 3.35Å; K416-S462 VanDerWaalsContact O-N 3.1Å; K416-S462 PolarHBondContact O-OG 2.8Å
417Y98.4Very high98.4Very high24 Ų2433.4 Ų33.49%0.09417%0.171CC..EExtended strand (participates in β ladder)trans-83158.7-179.3-58.6-71.8000112G255 K257 T389 V415 K461 S463G255-Y417 VanDerWaalsContact O-CD1 3.25Å; G255-Y417 WeakPolarHBondContact O-CD1 3.39Å; K257-Y417 HydrophobicContact CB-CD2 3.65Å; K257-Y417 HydrophobicContact CB-CE2 4.33Å; K257-Y417 HydrophobicContact CB-CG 4.34Å; T389-Y417 WeakPolarHBondContact O-CE2 3.48Å; V415-Y417 PolarHBondContact O-N 3.33Å; Y417-K461 WeakPolarHBondContact O-CD 3.25Å; Y417-S463 WeakPolarHBondContact CA-OG 3.45Å; Y417-S463 WeakPolarHBondContact CB-OG 3.37Å
418G98.1Very high98.4Very high1 Ų135.7 Ų35.71%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-15944.6178.600000112.1Q439 S440 G441 M460 S463G418-Q439 VanDerWaalsContact CA-O 3.26Å; G418-Q439 WeakPolarHBondContact CA-O 3.04Å; G418-S440 WeakPolarHBondContact O-CA 3.33Å; G418-G441 PolarHBondContact O-N 2.95Å; G418-M460 PolarHBondContact O-N 3.13Å; G418-S463 PolarHBondContact N-OG 2.79Å
419L98.2Very high98.4Very high1 Ų137.4 Ų37.41%0.00521%0.205CC..SBendtrans-81.1-69.5-177.3-174.559000111.9C287 L288 G441 L442 S463C287-L419 HydrophobicContact CB-CD2 3.67Å; C287-L419 WeakPolarHBondContact O-CD2 3.47Å; L288-L419 HydrophobicContact CD2-CD1 4.43Å; L288-L419 HydrophobicContact CD2-CD2 3.82Å; L288-L419 HydrophobicContact CD2-CG 3.86Å; L419-G441 PolarHBondContact O-N 2.89Å; L419-G441 VanDerWaalsContact O-N 3.11Å; L419-L442 PolarHBondContact O-N 2.79Å; L419-S463 PolarHBondContact N-OG 2.79Å
420A98.2Very high98.4Very high1 Ų138.6 Ų38.61%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-135.5159.4-175.700000112.8N258 P259 L288 L442 W444N258-A420 WeakPolarHBondContact CA-O 3.33Å; N258-A420 HydrophobicContact CB-CB 4.42Å; N258-A420 WeakPolarHBondContact CB-O 3.38Å; N258-A420 PolarHBondContact OD1-N 2.77Å; N258-A420 PolarHBondContact OD1-O 3.08Å; N258-A420 VanDerWaalsContact OD1-O 3.06Å; P259-A420 WeakPolarHBondContact CD-O 3.43Å; L288-A420 HydrophobicContact CD2-CB 3.87Å; A420-L442 CarbonylContact C-O 3.49Å; A420-L442 WeakPolarHBondContact CA-O 3.48Å; A420-L442 HydrophobicContact CB-CB 4.09Å; A420-W444 HydrophobicContact CB-CH2 4.28Å; A420-W444 HydrophobicContact CB-CZ3 3.7Å
421A98.6Very high98.3Very high1 Ų132.3 Ų32.31%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-147.3159.7170.100000111.5P259 L438 L442 V443 W444P259-A421 HydrophobicContact CG-CB 3.82Å; P259-A421 CarbonylContact O-C 3.44Å; P259-A421 VanDerWaalsContact O-CA 3.31Å; P259-A421 WeakPolarHBondContact O-CA 3.32Å; A421-L438 HydrophobicContact CB-CD1 3.79Å; A421-L442 PolarHBondContact N-O 2.87Å; A421-V443 HydrophobicContact CB-CG2 4.42Å; A421-V443 WeakPolarHBondContact O-CA 3.42Å; A421-W444 PolarHBondContact O-N 2.83Å
422T98.8Very high98.3Very high2 Ų235.7 Ų35.71%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-124.6143.7168.165.70000111.5P259 A260 I261 W444 W448P259-T422 PolarHBondContact O-N 2.93Å; A260-T422 WeakPolarHBondContact CA-O 3.41Å; A260-T422 VanDerWaalsContact CA-OG1 3.26Å; A260-T422 WeakPolarHBondContact CA-OG1 3.48Å; A260-T422 WeakPolarHBondContact CB-OG1 3.35Å; I261-T422 PolarHBondContact N-O 2.81Å; T422-W444 CarbonylContact C-O 3.55Å; T422-W444 VanDerWaalsContact CA-O 3.25Å; T422-W444 WeakPolarHBondContact CA-O 3.17Å; T422-W444 HydrophobicContact CG2-CB 4.29Å; T422-W444 HydrophobicContact CG2-CE3 4.21Å; T422-W448 HydrophobicContact CG2-CB 4.24Å; T422-W448 HydrophobicContact CG2-CG 4.36Å
423V98.8Very high98.3Very high0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-125.2124.6175.2-177.10000109I261 F263 V434 L438 V443 W444 T445 N446I261-V423 WeakPolarHBondContact O-CA 3.38Å; F263-V423 HydrophobicContact CD2-CG1 4.36Å; F263-V423 HydrophobicContact CE2-CG1 4.06Å; V423-V434 HydrophobicContact CG1-CB 4.29Å; V423-V434 HydrophobicContact CG1-CG1 4.09Å; V423-V434 HydrophobicContact CG2-CB 4.43Å; V423-V434 HydrophobicContact CG2-CG1 3.7Å; V423-L438 HydrophobicContact CG2-CD1 3.65Å; V423-V443 HydrophobicContact CG2-CG1 4.11Å; V423-W444 PolarHBondContact N-O 2.85Å; V423-T445 HydrophobicContact CB-CG2 4.42Å; V423-T445 CarbonylContact O-C 3.18Å; V423-T445 VanDerWaalsContact O-CA 3.26Å; V423-T445 WeakPolarHBondContact O-CA 3.48Å; V423-N446 PolarHBondContact O-N 3.47Å
424W98.9Very high98.3Very high5 Ų539.9 Ų39.92%0.01921%0.211CC..EExtended strand (participates in β ladder)trans-113.8113.4179-65.389000110.2I261 I262 F263 A266 E270 C271 A274 N446I261-W424 PolarHBondContact O-N 2.79Å; I262-W424 HydrophobicContact CB-CB 4.47Å; I262-W424 HydrophobicContact CG1-CB 4.29Å; I262-W424 HydrophobicContact CG1-CG 4.32Å; I262-W424 HydrophobicContact CG2-CB 4.3Å; F263-W424 PolarHBondContact N-O 2.91Å; A266-W424 HydrophobicContact CB-CB 3.86Å; E270-W424 HydrophobicContact CB-CZ3 4.4Å; C271-W424 VanDerWaalsContact CA-CZ3 3.48Å; C271-W424 HydrophobicContact CB-CD2 3.8Å; C271-W424 HydrophobicContact CB-CE3 3.53Å; C271-W424 HydrophobicContact CB-CG 4.28Å; C271-W424 HydrophobicContact CB-CZ3 4Å; C271-W424 VanDerWaalsContact SG-CD2 3.51Å; A274-W424 HydrophobicContact CB-CH2 3.33Å; A274-W424 HydrophobicContact CB-CZ2 3.45Å; A274-W424 VanDerWaalsContact CB-CZ2 3.45Å; A274-W424 HydrophobicContact CB-CZ3 4.49Å; W424-N446 WeakPolarHBondContact CA-OD1 3.36Å; W424-N446 HydrophobicContact CE3-CB 4.19Å; W424-N446 VanDerWaalsContact CH2-C 3.48Å; W424-N446 VanDerWaalsContact CZ3-C 3.48Å; W424-N446 HydrophobicContact CZ3-CB 4.18Å
425S98.8Very high98.4Very high1 Ų135.6 Ų35.61%0.00719%0.192CC..  trans-170.2143.8-180177.30000109.9D265 N427 R430 N446D265-S425 WeakPolarHBondContact OD1-CA 3.48Å; D265-S425 WeakPolarHBondContact OD1-CB 3.19Å; D265-S425 PolarHBondContact OD1-OG 3.46Å; D265-S425 PolarHBondContact OD2-OG 2.78Å; S425-N427 PolarHBondContact OG-N 2.71Å; S425-N427 VanDerWaalsContact OG-N 3.17Å; S425-R430 WeakPolarHBondContact OG-CD 3.22Å; S425-N446 PolarHBondContact N-OD1 2.98Å; S425-N446 PolarHBondContact O-ND2 3.5Å; S425-N446 PolarHBondContact O-OD1 3.33Å
426S98.3Very high98.4Very high85 Ų8543.1 Ų43.159%0.59422%0.223SC*.SBendtrans-83.8-14.6171.453.70000112.9D265 V428D265-S426 WeakPolarHBondContact O-CB 3.37Å; D265-S426 PolarHBondContact O-N 2.99Å; D265-S426 PolarHBondContact O-OG 2.78Å; D265-S426 PolarHBondContact OD2-N 3.12Å; D265-S426 PolarHBondContact OD2-OG 3.38Å; S426-V428 PolarHBondContact O-N 2.72Å
427N98.5Very high98.5Very high71 Ų7143 Ų4338%0.3822%0.223SC..  trans-76.7103.1175.5-173.6-44.4000112.1D265 S425 G429 R430 V431D265-N427 WeakPolarHBondContact OD2-CB 3.31Å; D265-N427 PolarHBondContact OD2-N 3.24Å; S425-N427 PolarHBondContact OG-N 2.71Å; S425-N427 VanDerWaalsContact OG-N 3.17Å; N427-G429 VanDerWaalsContact C-N 3.27Å; N427-G429 PolarHBondContact O-N 3.34Å; N427-G429 WeakPolarHBondContact OD1-CA 3.41Å; N427-G429 PolarHBondContact OD1-N 3.49Å; N427-R430 HydrophobicContact CB-CB 3.87Å; N427-R430 WeakPolarHBondContact O-CB 3.46Å; N427-R430 PolarHBondContact O-N 2.71Å; N427-R430 VanDerWaalsContact O-N 3.11Å; N427-R430 PolarHBondContact OD1-N 3.29Å; N427-V431 WeakPolarHBondContact O-CG2 3.43Å; N427-V431 PolarHBondContact O-N 3.25Å
428V98.1Very high98.5Very high98 Ų9842.4 Ų42.459%0.59422%0.221SC*.Hα-helixtrans-55.5-39.4179.5177.60000112.8S426 V431 H432S426-V428 PolarHBondContact O-N 2.72Å; V428-V431 PolarHBondContact O-N 3.45Å; V428-H432 PolarHBondContact O-CD2 3.44Å; V428-H432 VanDerWaalsContact O-CD2 3.24Å; V428-H432 PolarHBondContact O-N 2.99Å; V428-H432 VanDerWaalsContact O-N 3.11Å
429G98.6Very high98.5Very high35 Ų3546.6 Ų46.636%0.36124%0.24SC..Hα-helixtrans-64.6-43.8178.300000112.3N427 R433N427-G429 VanDerWaalsContact C-N 3.27Å; N427-G429 PolarHBondContact O-N 3.34Å; N427-G429 WeakPolarHBondContact OD1-CA 3.41Å; N427-G429 PolarHBondContact OD1-N 3.49Å; G429-R433 WeakPolarHBondContact O-CG 3.29Å; G429-R433 PolarHBondContact O-N 2.92Å; G429-R433 VanDerWaalsContact O-N 3.08Å
430R98.6Very high98.5Very high39 Ų3947.3 Ų47.315%0.14725%0.245CC..Hα-helixtrans-61.8-48.8174.6178.1179.7-67156.7-6.9111F263 D265 E405 S425 N427 H432 R433 V434F263-R430 HydrophobicContact CD2-CG 4.36Å; F263-R430 HydrophobicContact CE1-CG 4.5Å; F263-R430 HydrophobicContact CE2-CG 4.09Å; F263-R430 HydrophobicContact CZ-CG 4.17Å; D265-R430 IonicContact OD1-NH1 3.16Å; D265-R430 PolarHBondContact OD1-NH1 3.47Å; D265-R430 IonicContact OD2-NH1 3.5Å; D265-R430 PolarHBondContact OD2-NH1 3.06Å; E405-R430 WeakPolarHBondContact OE2-CG 3.44Å; E405-R430 IonicContact OE2-NE 3.56Å; S425-R430 WeakPolarHBondContact OG-CD 3.22Å; N427-R430 HydrophobicContact CB-CB 3.87Å; N427-R430 WeakPolarHBondContact O-CB 3.46Å; N427-R430 PolarHBondContact O-N 2.71Å; N427-R430 VanDerWaalsContact O-N 3.11Å; N427-R430 PolarHBondContact OD1-N 3.29Å; R430-H432 VanDerWaalsContact C-N 3.31Å; R430-H432 PolarHBondContact O-N 3.34Å; R430-R433 PolarHBondContact O-N 2.95Å; R430-R433 VanDerWaalsContact O-N 3.12Å; R430-V434 HydrophobicContact CG-CG2 3.93Å; R430-V434 WeakPolarHBondContact O-CB 3.43Å; R430-V434 WeakPolarHBondContact O-CG2 3.41Å; R430-V434 PolarHBondContact O-N 2.99Å
431V98.1Very high98.4Very high13 Ų1348.6 Ų48.68%0.07926%0.258CS..Hα-helixtrans-52.4-50.1179.1169.30000111.1N427 V428 A435 T445N427-V431 WeakPolarHBondContact O-CG2 3.43Å; N427-V431 PolarHBondContact O-N 3.25Å; V428-V431 PolarHBondContact O-N 3.45Å; V431-A435 WeakPolarHBondContact O-CB 3.25Å; V431-A435 PolarHBondContact O-N 3.06Å; V431-T445 VanDerWaalsContact CG1-CB 3.48Å; V431-T445 HydrophobicContact CG1-CG2 3.34Å
432H98.4Very high98.3Very high112 Ų11249.6 Ų49.652%0.51926%0.263SS..Hα-helixtrans-67.1-38.5178.4-76.2-62.8000113.9V428 R430 K436V428-H432 PolarHBondContact O-CD2 3.44Å; V428-H432 VanDerWaalsContact O-CD2 3.24Å; V428-H432 PolarHBondContact O-N 2.99Å; V428-H432 VanDerWaalsContact O-N 3.11Å; R430-H432 VanDerWaalsContact C-N 3.31Å; R430-H432 PolarHBondContact O-N 3.34Å; H432-K436 WeakPolarHBondContact O-CB 3.38Å; H432-K436 VanDerWaalsContact O-CG 3.25Å; H432-K436 WeakPolarHBondContact O-CG 3.37Å; H432-K436 PolarHBondContact O-N 2.76Å
433R98.6Very high98.3Very high113 Ų11351.6 Ų51.643%0.42628%0.276SS..Hα-helixtrans-66.2-49178.5-75.5-167.7-49.3-90.2-0.6111.7E405 G429 R430 K437E405-R433 IonicContact OE1-CZ 3.34Å; E405-R433 IonicContact OE1-NE 3.75Å; E405-R433 PolarHBondContact OE1-NE 2.9Å; E405-R433 VanDerWaalsContact OE1-NE 3.1Å; E405-R433 IonicContact OE1-NH2 3.79Å; E405-R433 IonicContact OE2-CZ 2.83Å; E405-R433 IonicContact OE2-NE 2.95Å; E405-R433 IonicContact OE2-NH2 3.88Å; E405-R433 PolarHBondContact OE2-NH2 3.28Å; G429-R433 WeakPolarHBondContact O-CG 3.29Å; G429-R433 PolarHBondContact O-N 2.92Å; G429-R433 VanDerWaalsContact O-N 3.08Å; R430-R433 PolarHBondContact O-N 2.95Å; R430-R433 VanDerWaalsContact O-N 3.12Å; R433-K437 WeakPolarHBondContact O-CG 3.35Å; R433-K437 PolarHBondContact O-N 3.4Å
434V98.8Very high98.3Very high0 Ų052.6 Ų52.60%028%0.279CS..Hα-helixtrans-65.2-49.3-178.8176.80000109.7I261 F263 E405 I409 V423 R430 K436 K437 L438I261-V434 HydrophobicContact CD1-CG1 4.17Å; F263-V434 HydrophobicContact CE2-CG2 4.01Å; F263-V434 HydrophobicContact CZ-CG2 3.83Å; E405-V434 HydrophobicContact CG-CG2 3.76Å; I409-V434 HydrophobicContact CD1-CG1 4.47Å; I409-V434 HydrophobicContact CD1-CG2 4.16Å; I409-V434 HydrophobicContact CG1-CG1 4.22Å; V423-V434 HydrophobicContact CG1-CB 4.29Å; V423-V434 HydrophobicContact CG1-CG1 4.09Å; V423-V434 HydrophobicContact CG2-CB 4.43Å; V423-V434 HydrophobicContact CG2-CG1 3.7Å; R430-V434 HydrophobicContact CG-CG2 3.93Å; R430-V434 WeakPolarHBondContact O-CB 3.43Å; R430-V434 WeakPolarHBondContact O-CG2 3.41Å; R430-V434 PolarHBondContact O-N 2.99Å; V434-K436 VanDerWaalsContact C-N 3.27Å; V434-K436 PolarHBondContact O-N 2.81Å; V434-K437 PolarHBondContact O-N 2.89Å; V434-L438 HydrophobicContact CG1-CD1 4.09Å; V434-L438 HydrophobicContact CG1-CG 4.27Å; V434-L438 WeakPolarHBondContact O-CG 3.24Å; V434-L438 PolarHBondContact O-N 3.24Å; V434-L438 VanDerWaalsContact O-N 3.07Å
435A98.3Very high98.3Very high25 Ų2554.8 Ų54.821%0.20729%0.294CS..Hα-helixtrans-57.6-38.9-178.700000113V431 V443 T445V431-A435 WeakPolarHBondContact O-CB 3.25Å; V431-A435 PolarHBondContact O-N 3.06Å; A435-V443 HydrophobicContact CB-CB 4.38Å; A435-V443 HydrophobicContact CB-CG1 3.75Å; A435-T445 HydrophobicContact CB-CG2 4.41Å
436K98.2Very high98.2Very high177 Ų17757.8 Ų57.877%0.7731%0.31SS*.Hα-helixtrans-70.3-28176.9-74.1175.9-179.3-178.80114H432 V434H432-K436 WeakPolarHBondContact O-CB 3.38Å; H432-K436 VanDerWaalsContact O-CG 3.25Å; H432-K436 WeakPolarHBondContact O-CG 3.37Å; H432-K436 PolarHBondContact O-N 2.76Å; V434-K436 VanDerWaalsContact C-N 3.27Å; V434-K436 PolarHBondContact O-N 2.81Å
437K98.6Very high98.2Very high100 Ų10055.3 Ų55.344%0.43529%0.292SS..Hα-helixtrans-87.4-17.8-178.9-71176.9176.2-179.60112.8I409 N413 R433 V434I409-K437 HydrophobicContact CD1-CB 4.08Å; I409-K437 HydrophobicContact CD1-CD 3.59Å; I409-K437 HydrophobicContact CD1-CG 4.5Å; I409-K437 HydrophobicContact CG2-CB 3.86Å; N413-K437 PolarHBondContact ND2-O 2.78Å; R433-K437 WeakPolarHBondContact O-CG 3.35Å; R433-K437 PolarHBondContact O-N 3.4Å; V434-K437 PolarHBondContact O-N 2.89Å
438L98.7Very high98.1Very high10 Ų1052.1 Ų52.15%0.05228%0.275CS..SBendtrans-71.3128.7175.8-71.8173.1000110.8I261 A412 A421 V423 V434 S440 V443I261-L438 HydrophobicContact CD1-CD1 4.28Å; I261-L438 HydrophobicContact CD1-CD2 3.85Å; A412-L438 HydrophobicContact CB-CD2 3.73Å; A421-L438 HydrophobicContact CB-CD1 3.79Å; V423-L438 HydrophobicContact CG2-CD1 3.65Å; V434-L438 HydrophobicContact CG1-CD1 4.09Å; V434-L438 HydrophobicContact CG1-CG 4.27Å; V434-L438 WeakPolarHBondContact O-CG 3.24Å; V434-L438 PolarHBondContact O-N 3.24Å; V434-L438 VanDerWaalsContact O-N 3.07Å; L438-S440 PolarHBondContact O-N 2.97Å; L438-S440 VanDerWaalsContact O-N 3.08Å; L438-V443 HydrophobicContact CB-CG2 4.17Å; L438-V443 HydrophobicContact CD1-CG1 4.07Å; L438-V443 HydrophobicContact CD1-CG2 4.46Å
439Q98.4Very high97.8Very high89 Ų8949.3 Ų49.342%0.41626%0.256SS..  trans-88.860.8179.4-61.9175.2-21.100110N413 G418N413-Q439 HydrophobicContact CB-CG 4.48Å; N413-Q439 WeakPolarHBondContact OD1-CB 3.49Å; N413-Q439 PolarHBondContact OD1-N 3.27Å; G418-Q439 VanDerWaalsContact CA-O 3.26Å; G418-Q439 WeakPolarHBondContact CA-O 3.04Å
440S97.8Very high97.5Very high16 Ų1653.1 Ų53.111%0.11227%0.267CS..  trans-131.2142.2177.8-66.70000110.4G418 L438 L442 M460G418-S440 WeakPolarHBondContact O-CA 3.33Å; L438-S440 PolarHBondContact O-N 2.97Å; L438-S440 VanDerWaalsContact O-N 3.08Å; S440-L442 PolarHBondContact O-N 3.24Å; S440-M460 VanDerWaalsContact C-SD 3.54Å
441G96.8Very high96.8Very high28 Ų2853.8 Ų53.829%0.28927%0.269SS..SBendtrans-68.9-25.4-179.900000113.5G418 L419 G458G418-G441 PolarHBondContact O-N 2.95Å; L419-G441 PolarHBondContact O-N 2.89Å; L419-G441 VanDerWaalsContact O-N 3.11Å; G441-G458 WeakPolarHBondContact CA-O 3.26Å
442L97.2Very high96.3Very high22 Ų2258 Ų5812%0.11529%0.288CS..EExtended strand (participates in β ladder)trans-124.1129.1175.7-59.9167.6000109.8L288 L419 A420 A421 S440 W444 F457L288-L442 HydrophobicContact CD2-CD1 3.77Å; L419-L442 PolarHBondContact O-N 2.79Å; A420-L442 CarbonylContact C-O 3.49Å; A420-L442 WeakPolarHBondContact CA-O 3.48Å; A420-L442 HydrophobicContact CB-CB 4.09Å; A421-L442 PolarHBondContact N-O 2.87Å; S440-L442 PolarHBondContact O-N 3.24Å; L442-W444 HydrophobicContact CB-CH2 4.34Å; L442-W444 HydrophobicContact CD1-CH2 4.08Å; L442-W444 HydrophobicContact CD1-CZ2 4.33Å; L442-F457 HydrophobicContact CD1-CD2 3.52Å; L442-F457 HydrophobicContact CD1-CE2 3.45Å; L442-F457 VanDerWaalsContact CD1-CE2 3.45Å; L442-F457 HydrophobicContact CD1-CG 4.45Å; L442-F457 HydrophobicContact CD1-CZ 4.34Å; L442-F457 HydrophobicContact CD2-CD2 4.44Å
443V98.1Very high95.7Very high44 Ų4452.9 Ų52.927%0.26727%0.265SS..EExtended strand (participates in β ladder)trans-130.1116.1171.2-1750000108.6A421 V423 A435 L438A421-V443 HydrophobicContact CB-CG2 4.42Å; A421-V443 WeakPolarHBondContact O-CA 3.42Å; V423-V443 HydrophobicContact CG2-CG1 4.11Å; A435-V443 HydrophobicContact CB-CB 4.38Å; A435-V443 HydrophobicContact CB-CG1 3.75Å; L438-V443 HydrophobicContact CB-CG2 4.17Å; L438-V443 HydrophobicContact CD1-CG1 4.07Å; L438-V443 HydrophobicContact CD1-CG2 4.46Å
444W98.4Very high95.3Very high21 Ų2151.9 Ų51.98%0.0827%0.268CS..EExtended strand (participates in β ladder)trans-96.4148.3170.6-64.4-73.3000110.7L288 A420 A421 T422 V423 L442 C447 W448 I450 R451L288-W444 HydrophobicContact CB-CH2 4.33Å; L288-W444 HydrophobicContact CB-CZ3 4.49Å; L288-W444 HydrophobicContact CD1-CH2 4.1Å; L288-W444 HydrophobicContact CD2-CH2 4.14Å; L288-W444 HydrophobicContact CG-CH2 4.41Å; A420-W444 HydrophobicContact CB-CH2 4.28Å; A420-W444 HydrophobicContact CB-CZ3 3.7Å; A421-W444 PolarHBondContact O-N 2.83Å; T422-W444 CarbonylContact C-O 3.55Å; T422-W444 VanDerWaalsContact CA-O 3.25Å; T422-W444 WeakPolarHBondContact CA-O 3.17Å; T422-W444 HydrophobicContact CG2-CB 4.29Å; T422-W444 HydrophobicContact CG2-CE3 4.21Å; V423-W444 PolarHBondContact N-O 2.85Å; L442-W444 HydrophobicContact CB-CH2 4.34Å; L442-W444 HydrophobicContact CD1-CH2 4.08Å; L442-W444 HydrophobicContact CD1-CZ2 4.33Å; W444-C447 WeakPolarHBondContact CB-O 3.13Å; W444-W448 AromaticContact CE3-CD1 3.74Å; W444-W448 AromaticContact CZ3-CD1 3.79Å; W444-W448 AromaticContact CZ3-NE1 3.93Å; W444-I450 PolarHBondContact NE1-O 3.28Å; W444-R451 HydrophobicContact CZ2-CG 4.12Å
445T98.3Very high95Very high52 Ų5257.2 Ų57.232%0.31930%0.295SS..EExtended strand (participates in β ladder)trans-127.7122.6-179.164.30000107.9V423 V431 A435 C447V423-T445 HydrophobicContact CB-CG2 4.42Å; V423-T445 CarbonylContact O-C 3.18Å; V423-T445 VanDerWaalsContact O-CA 3.26Å; V423-T445 WeakPolarHBondContact O-CA 3.48Å; V431-T445 VanDerWaalsContact CG1-CB 3.48Å; V431-T445 HydrophobicContact CG1-CG2 3.34Å; A435-T445 HydrophobicContact CB-CG2 4.41Å; T445-C447 PolarHBondContact O-N 2.97Å; T445-C447 VanDerWaalsContact O-N 3.1Å; T445-C447 PolarHBondContact O-SG 3.42Å; T445-C447 VanDerWaalsContact O-SG 3.35Å
446N98.1Very high94.7Very high64 Ų6459 Ų5934%0.34231%0.305SS..SBendtrans5326.5-174.4-55.1-40.1000114.7V423 W424 S425V423-N446 PolarHBondContact O-N 3.47Å; W424-N446 WeakPolarHBondContact CA-OD1 3.36Å; W424-N446 HydrophobicContact CE3-CB 4.19Å; W424-N446 VanDerWaalsContact CH2-C 3.48Å; W424-N446 VanDerWaalsContact CZ3-C 3.48Å; W424-N446 HydrophobicContact CZ3-CB 4.18Å; S425-N446 PolarHBondContact N-OD1 2.98Å; S425-N446 PolarHBondContact O-ND2 3.5Å; S425-N446 PolarHBondContact O-OD1 3.33Å
447C97.6Very high94.5Very high33 Ų3351.2 Ų51.222%0.22327%0.271CS..  trans-161.2175.1177.162.30000110.6W444 T445 I450W444-C447 WeakPolarHBondContact CB-O 3.13Å; T445-C447 PolarHBondContact O-N 2.97Å; T445-C447 VanDerWaalsContact O-N 3.1Å; T445-C447 PolarHBondContact O-SG 3.42Å; T445-C447 VanDerWaalsContact O-SG 3.35Å; C447-I450 HydrophobicContact CB-CD1 3.73Å; C447-I450 HydrophobicContact CB-CG1 4.4Å
448W97.2Very high94.3Very high4 Ų446.5 Ų46.52%0.01525%0.251CS..SBendtrans-152.6141.7173177.983000110.7R277 S278 A281 I286 L288 T422 W444 I450R277-W448 HydrophobicContact CG-CZ3 4.36Å; R277-W448 PolarHBondContact NH2-O 3.27Å; S278-W448 VanDerWaalsContact CB-CG 3.46Å; A281-W448 HydrophobicContact CB-CH2 4.34Å; A281-W448 HydrophobicContact CB-CZ3 4.43Å; I286-W448 HydrophobicContact CD1-CH2 4.31Å; L288-W448 HydrophobicContact CB-CZ2 4.35Å; L288-W448 PolarHBondContact O-NE1 3.47Å; T422-W448 HydrophobicContact CG2-CB 4.24Å; T422-W448 HydrophobicContact CG2-CG 4.36Å; W444-W448 AromaticContact CE3-CD1 3.74Å; W444-W448 AromaticContact CZ3-CD1 3.79Å; W444-W448 AromaticContact CZ3-NE1 3.93Å; W448-I450 VanDerWaalsContact C-N 3.27Å; W448-I450 PolarHBondContact O-N 2.87Å
449L91.8Very high94.1Very high39 Ų3946 Ų4620%0.20425%0.249CC..SBendtrans61.626.8177.2-158.870.2000114.9M105 L288M105-L449 HydrophobicContact SD-CD2 4.07Å; L288-L449 HydrophobicContact CD1-CD1 3.45Å; L288-L449 VanDerWaalsContact CD1-CD1 3.45Å
450I90.6Very high94Very high114 Ų11445.6 Ų45.659%0.58525%0.247SC*.  trans-88.7119.8166.8-59.9179.6000107.5W444 C447 W448W444-I450 PolarHBondContact NE1-O 3.28Å; C447-I450 HydrophobicContact CB-CD1 3.73Å; C447-I450 HydrophobicContact CB-CG1 4.4Å; W448-I450 VanDerWaalsContact C-N 3.27Å; W448-I450 PolarHBondContact O-N 2.87Å
451R85.6Confident94Very high53 Ų5348.8 Ų48.820%0.226%0.259CS..  trans-135.3133.1-174.8-71.7-173.1-63.6168.4-0.2112.3R109 Y159 W444R109-R451 VanDerWaalsContact NH2-NH2 3.15Å; Y159-R451 VanDerWaalsContact CE1-NH2 3.27Å; Y159-R451 VanDerWaalsContact CZ-NH2 3.3Å; Y159-R451 PolarHBondContact OH-NH1 2.81Å; Y159-R451 PolarHBondContact OH-NH2 2.91Å; W444-R451 HydrophobicContact CZ2-CG 4.12Å
452E86.6Confident94Very high102 Ų10249.5 Ų49.548%0.47726%0.26SS..  trans-100.2125.917017646.4-12600108.8N454 L455E452-N454 HydrophobicContact CG-CB 4.13Å; E452-N454 PolarHBondContact O-N 3.02Å; E452-N454 PolarHBondContact OE1-N 3.48Å; E452-N454 PolarHBondContact OE1-ND2 3.42Å; E452-L455 HydrophobicContact CB-CD1 4.19Å; E452-L455 HydrophobicContact CB-CG 4.21Å; E452-L455 HydrophobicContact CG-CG 4.22Å; E452-L455 PolarHBondContact O-N 3.49Å; E452-L455 VanDerWaalsContact O-N 3.13Å
453L86.9Confident94.1Very high5 Ų548.4 Ų48.43%0.02625%0.254CS..THydrogen-bonded Turntrans-72.1-16.9-173.1-55.1-177.1000112.7Q112 F116 W163 L455 G469 A470Q112-L453 HydrophobicContact CG-CD1 3.87Å; F116-L453 HydrophobicContact CB-CD1 3.56Å; F116-L453 HydrophobicContact CD1-CB 3.75Å; F116-L453 HydrophobicContact CD1-CD1 3.97Å; F116-L453 HydrophobicContact CD2-CB 3.8Å; F116-L453 HydrophobicContact CD2-CD1 3.86Å; F116-L453 HydrophobicContact CD2-CG 4.36Å; F116-L453 HydrophobicContact CE1-CB 3.62Å; F116-L453 HydrophobicContact CE2-CB 3.66Å; F116-L453 HydrophobicContact CG-CB 3.83Å; F116-L453 HydrophobicContact CG-CD1 3.5Å; F116-L453 VanDerWaalsContact CG-CD1 3.5Å; F116-L453 HydrophobicContact CG-CG 4.29Å; F116-L453 VanDerWaalsContact CZ-C 3.5Å; F116-L453 HydrophobicContact CZ-CB 3.56Å; W163-L453 HydrophobicContact CH2-CB 4.12Å; W163-L453 HydrophobicContact CH2-CD2 3.42Å; W163-L453 VanDerWaalsContact CH2-CD2 3.42Å; W163-L453 HydrophobicContact CH2-CG 4.21Å; W163-L453 HydrophobicContact CZ2-CD2 4.46Å; W163-L453 HydrophobicContact CZ3-CB 4.46Å; W163-L453 HydrophobicContact CZ3-CD1 4.17Å; W163-L453 HydrophobicContact CZ3-CD2 3.53Å; W163-L453 HydrophobicContact CZ3-CG 4.24Å; L453-L455 VanDerWaalsContact C-N 3.3Å; L453-G469 CarbonylContact O-C 3.59Å; L453-G469 WeakPolarHBondContact O-CA 3.29Å; L453-A470 PolarHBondContact O-N 3.07Å
454N88.3Confident94Very high92 Ų9246.8 Ų46.849%0.49225%0.246SC..THydrogen-bonded Turntrans-73.8-18.4172-73.3-64.3000114F116 E452F116-N454 HydrophobicContact CZ-CB 4.47Å; F116-N454 WeakPolarHBondContact CZ-OD1 2.96Å; E452-N454 HydrophobicContact CG-CB 4.13Å; E452-N454 PolarHBondContact O-N 3.02Å; E452-N454 PolarHBondContact OE1-N 3.48Å; E452-N454 PolarHBondContact OE1-ND2 3.42Å
455L92.5Very high93.9Very high111 Ų11150.4 Ų50.458%0.58127%0.266SS*.SBendtrans-94.3150.3-179.2-64.6-177.9000111.2E452 L453 F457E452-L455 HydrophobicContact CB-CD1 4.19Å; E452-L455 HydrophobicContact CB-CG 4.21Å; E452-L455 HydrophobicContact CG-CG 4.22Å; E452-L455 PolarHBondContact O-N 3.49Å; E452-L455 VanDerWaalsContact O-N 3.13Å; L453-L455 VanDerWaalsContact C-N 3.3Å; L455-F457 PolarHBondContact O-N 3.24Å
456P92.6Very high93.7Very high62 Ų6249.5 Ų49.540%0.40327%0.267SS..  trans-63.3136.9179.125-34.3000111.3R467 E468P456-R467 HydrophobicContact CB-CB 4.14Å; P456-R467 HydrophobicContact CB-CG 4.01Å; P456-E468 CarbonylContact C-O 3.58Å
457F94.2Very high93.5Very high15 Ų1549.7 Ų49.77%0.06626%0.263CS..BIsolated β-bridgetrans-115.2129.8169.8178.2-88.7000108.3L288 L442 L455 R467 E468L288-F457 HydrophobicContact CD1-CE2 3.8Å; L288-F457 HydrophobicContact CD1-CZ 4.12Å; L288-F457 HydrophobicContact CD2-CE2 3.9Å; L288-F457 HydrophobicContact CD2-CZ 3.99Å; L288-F457 HydrophobicContact CG-CE2 4.38Å; L288-F457 HydrophobicContact CG-CZ 4.41Å; L442-F457 HydrophobicContact CD1-CD2 3.52Å; L442-F457 HydrophobicContact CD1-CE2 3.45Å; L442-F457 VanDerWaalsContact CD1-CE2 3.45Å; L442-F457 HydrophobicContact CD1-CG 4.45Å; L442-F457 HydrophobicContact CD1-CZ 4.34Å; L442-F457 HydrophobicContact CD2-CD2 4.44Å; L455-F457 PolarHBondContact O-N 3.24Å; F457-R467 CarbonylContact O-C 3.53Å; F457-R467 VanDerWaalsContact O-CA 3.26Å; F457-R467 WeakPolarHBondContact O-CA 3.34Å; F457-R467 WeakPolarHBondContact O-CD 3.27Å; F457-E468 WeakPolarHBondContact CB-O 3.49Å; F457-E468 HydrophobicContact CD1-CB 4.48Å; F457-E468 PolarHBondContact N-O 3.45Å; F457-E468 PolarHBondContact O-N 2.84Å
458G94.5Very high93.3Very high0 Ų048.4 Ų48.40%025%0.254CS..  trans152.2168.5168.300000114.4E253 G441E253-G458 WeakPolarHBondContact OE1-CA 3.08Å; E253-G458 VanDerWaalsContact OE2-CA 3.24Å; E253-G458 WeakPolarHBondContact OE2-CA 3.48Å; G441-G458 WeakPolarHBondContact CA-O 3.26Å
459G95.4Very high92.9Very high1 Ų148.2 Ų48.21%0.0125%0.253CS..  trans-85.1158.4-170.600000116.1R467G459-R467 VanDerWaalsContact O-CZ 3.29Å; G459-R467 PolarHBondContact O-NH1 2.77Å; G459-R467 PolarHBondContact O-NH2 2.91Å
460M96.2Very high92.9Very high79 Ų7946.7 Ų46.739%0.38925%0.246SC..EExtended strand (participates in β ladder)trans-100.5170.7161.8-59.9177.976.400109.9G418 S440 S462 S463G418-M460 PolarHBondContact O-N 3.13Å; S440-M460 VanDerWaalsContact C-SD 3.54Å; M460-S462 PolarHBondContact O-N 3.28Å; M460-S463 WeakPolarHBondContact O-CB 3.35Å; M460-S463 PolarHBondContact O-N 2.88Å
461K97.1Very high92.9Very high83 Ų8347.8 Ų47.836%0.36125%0.247SC..EExtended strand (participates in β ladder)trans53.9-132.8176.9-53.7174.2174.9174.30111.4N413 V415 K416 Y417 S463N413-K461 PolarHBondContact O-NZ 2.92Å; V415-K461 PolarHBondContact O-NZ 3.43Å; K416-K461 WeakPolarHBondContact O-CB 3.21Å; Y417-K461 WeakPolarHBondContact O-CD 3.25Å; K461-S463 PolarHBondContact O-N 3.49Å
462S97.1Very high93.4Very high43 Ų4347.3 Ų47.330%0.30125%0.248SC..THydrogen-bonded Turntrans-78.23.5177.7-55.20000114.2L254 K416 M460 G464L254-S462 WeakPolarHBondContact CD1-O 3.48Å; K416-S462 WeakPolarHBondContact O-CB 3.36Å; K416-S462 PolarHBondContact O-N 3.35Å; K416-S462 VanDerWaalsContact O-N 3.1Å; K416-S462 PolarHBondContact O-OG 2.8Å; M460-S462 PolarHBondContact O-N 3.28Å; S462-G464 VanDerWaalsContact C-N 3.35Å
463S98.2Very high93.8Very high0 Ų042.6 Ų42.60%023%0.226CC..THydrogen-bonded Turntrans-85.9-3.9177.2-70.90000114L254 G255 Y417 G418 L419 M460 K461L254-S463 WeakPolarHBondContact CA-O 3.17Å; L254-S463 WeakPolarHBondContact CB-O 3.39Å; L254-S463 PolarHBondContact N-O 3.36Å; G255-S463 WeakPolarHBondContact O-CB 3.38Å; G255-S463 PolarHBondContact O-OG 3.32Å; Y417-S463 WeakPolarHBondContact CA-OG 3.45Å; Y417-S463 WeakPolarHBondContact CB-OG 3.37Å; G418-S463 PolarHBondContact N-OG 2.79Å; L419-S463 PolarHBondContact N-OG 2.79Å; M460-S463 WeakPolarHBondContact O-CB 3.35Å; M460-S463 PolarHBondContact O-N 2.88Å; K461-S463 PolarHBondContact O-N 3.49Å
464G96.9Very high94Very high9 Ų942.8 Ų42.89%0.09323%0.227CC..EExtended strand (participates in β ladder)trans158.2174.3172.300000115.9L252 S462L252-G464 CarbonylContact O-C 3.5Å; L252-G464 WeakPolarHBondContact O-CA 3.36Å; S462-G464 VanDerWaalsContact C-N 3.35Å
465I96.3Very high94.3Very high97 Ų9740.9 Ų40.950%0.49722%0.217SC..EExtended strand (participates in β ladder)trans-134.9134.4173.5-60.4178.7000107.3S251 L252S251-I465 CarbonylContact C-O 3.57Å; S251-I465 WeakPolarHBondContact CA-O 3.37Å; L252-I465 HydrophobicContact CB-CB 4.44Å; L252-I465 HydrophobicContact CD1-CB 4.43Å; L252-I465 HydrophobicContact CD1-CD1 4.12Å; L252-I465 HydrophobicContact CD1-CG1 4.41Å; L252-I465 HydrophobicContact CG-CB 4.5Å; L252-I465 PolarHBondContact N-O 2.73Å; L252-I465 PolarHBondContact O-N 3.44Å
466G94.1Very high94.6Very high34 Ų3436.6 Ų36.635%0.35119%0.194SC..SBendtrans83.8-175.3-174.200000112.4
467R94.6Very high94.9Very high68 Ų6833.9 Ų33.926%0.25718%0.175SC..  trans-144.8149.4179.6-68.5-64.9-179.4-91.67.3108.8P456 F457 G459 D472P456-R467 HydrophobicContact CB-CB 4.14Å; P456-R467 HydrophobicContact CB-CG 4.01Å; F457-R467 CarbonylContact O-C 3.53Å; F457-R467 VanDerWaalsContact O-CA 3.26Å; F457-R467 WeakPolarHBondContact O-CA 3.34Å; F457-R467 WeakPolarHBondContact O-CD 3.27Å; G459-R467 VanDerWaalsContact O-CZ 3.29Å; G459-R467 PolarHBondContact O-NH1 2.77Å; G459-R467 PolarHBondContact O-NH2 2.91Å; R467-D472 HydrophobicContact CB-CB 3.5Å; R467-D472 WeakPolarHBondContact CB-OD1 3.37Å; R467-D472 WeakPolarHBondContact O-CB 3.2Å
468E92.4Very high95Very high5 Ų533.6 Ų33.62%0.02318%0.175CC..BIsolated β-bridgetrans-107.7163167.9-60.3175.8142.900109.8W163 K164 E253 P456 F457W163-E468 HydrophobicContact CZ2-CB 4.24Å; W163-E468 PolarHBondContact NE1-OE2 2.79Å; K164-E468 IonicContact NZ-OE1 3.65Å; K164-E468 PolarHBondContact NZ-OE1 3.44Å; E253-E468 HydrophobicContact CG-CG 4.26Å; P456-E468 CarbonylContact C-O 3.58Å; F457-E468 WeakPolarHBondContact CB-O 3.49Å; F457-E468 HydrophobicContact CD1-CB 4.48Å; F457-E468 PolarHBondContact N-O 3.45Å; F457-E468 PolarHBondContact O-N 2.84Å
469G89.9Confident95.1Very high0 Ų038 Ų380%020%0.195CC..SBendtrans112.5164-169.400000110.3L453 K471 D472 S473L453-G469 CarbonylContact O-C 3.59Å; L453-G469 WeakPolarHBondContact O-CA 3.29Å; G469-K471 PolarHBondContact O-N 2.99Å; G469-D472 PolarHBondContact O-N 3.29Å; G469-S473 PolarHBondContact N-OG 3.06Å; G469-S473 VanDerWaalsContact N-OG 3.13Å; G469-S473 WeakPolarHBondContact O-CB 3.49Å; G469-S473 PolarHBondContact O-N 3.38Å; G469-S473 PolarHBondContact O-OG 2.9Å; G469-S473 VanDerWaalsContact O-OG 3.04Å
470A90.4Very high95.1Very high7 Ų742.2 Ų42.26%0.05822%0.217CC..Hα-helixtrans-40.3-79.9-163.800000113.9F116 L453 D472 S473 Y474F116-A470 HydrophobicContact CE1-CB 3.74Å; F116-A470 HydrophobicContact CZ-CB 3.75Å; L453-A470 PolarHBondContact O-N 3.07Å; A470-D472 PolarHBondContact O-N 3.18Å; A470-S473 PolarHBondContact O-N 3.26Å; A470-Y474 WeakPolarHBondContact O-CD2 3.4Å; A470-Y474 WeakPolarHBondContact O-CE2 3.31Å; A470-Y474 PolarHBondContact O-N 3.24Å; A470-Y474 VanDerWaalsContact O-N 3.12Å
471K92.1Very high95.1Very high138 Ų13844.3 Ų44.360%0.622%0.224SC*.Hα-helixtrans-56.4-48.1-174.7-178.1-176.1173.5-175.20111.9G469 S473 Y474 D475G469-K471 PolarHBondContact O-N 2.99Å; K471-S473 PolarHBondContact O-N 3.49Å; K471-Y474 WeakPolarHBondContact O-CB 3.38Å; K471-Y474 PolarHBondContact O-N 3.25Å; K471-Y474 VanDerWaalsContact O-N 3.11Å; K471-D475 PolarHBondContact O-N 2.85Å
472D94.4Very high95.1Very high42 Ų4244.9 Ų44.923%0.22523%0.234CC..Hα-helixtrans-66.6-38.3-174.6-56.1-96000112.9R467 G469 A470 Y474 D475 F476R467-D472 HydrophobicContact CB-CB 3.5Å; R467-D472 WeakPolarHBondContact CB-OD1 3.37Å; R467-D472 WeakPolarHBondContact O-CB 3.2Å; G469-D472 PolarHBondContact O-N 3.29Å; A470-D472 PolarHBondContact O-N 3.18Å; D472-Y474 VanDerWaalsContact C-N 3.34Å; D472-D475 PolarHBondContact O-N 2.84Å; D472-F476 WeakPolarHBondContact O-CB 3.49Å; D472-F476 PolarHBondContact O-N 3.24Å
473S95.2Very high95.1Very high3 Ų345.3 Ų45.32%0.02123%0.233CC..Hα-helixtrans-62.7-42.1171.4-68.40000110.7G469 A470 K471 D475 F476 F477G469-S473 PolarHBondContact N-OG 3.06Å; G469-S473 VanDerWaalsContact N-OG 3.13Å; G469-S473 WeakPolarHBondContact O-CB 3.49Å; G469-S473 PolarHBondContact O-N 3.38Å; G469-S473 PolarHBondContact O-OG 2.9Å; G469-S473 VanDerWaalsContact O-OG 3.04Å; A470-S473 PolarHBondContact O-N 3.26Å; K471-S473 PolarHBondContact O-N 3.49Å; S473-D475 PolarHBondContact O-N 3.25Å; S473-F476 PolarHBondContact O-N 3.17Å; S473-F477 WeakPolarHBondContact O-CB 3.21Å; S473-F477 WeakPolarHBondContact O-CD2 3.13Å; S473-F477 PolarHBondContact O-N 3.1Å
474Y92.5Very high95Very high9 Ų948.9 Ų48.94%0.03525%0.254CS..Hα-helixtrans-62.9-42173.6-70.5-68.8000112.6F117 S120 I121 H124 A171 A470 K471 D472 F476 F477 T478F117-Y474 HydrophobicContact CD1-CE2 4.16Å; F117-Y474 HydrophobicContact CE1-CE2 4.24Å; S120-Y474 PolarHBondContact OG-OH 2.89Å; I121-Y474 WeakPolarHBondContact CA-OH 3.48Å; I121-Y474 HydrophobicContact CG2-CE1 3.53Å; I121-Y474 WeakPolarHBondContact CG2-OH 3.43Å; I121-Y474 PolarHBondContact N-OH 2.67Å; I121-Y474 VanDerWaalsContact N-OH 3.08Å; H124-Y474 AromaticContact CD2-CZ 3.93Å; H124-Y474 AromaticContact CE1-CD2 2.97Å; H124-Y474 WeakPolarHBondContact CE1-CD2 3.33Å; H124-Y474 AromaticContact CE1-CE2 3.22Å; H124-Y474 WeakPolarHBondContact CE1-CE2 3.16Å; H124-Y474 AromaticContact CE1-CG 3.5Å; H124-Y474 VanDerWaalsContact CE1-CG 3.5Å; H124-Y474 AromaticContact CE1-CZ 3.85Å; H124-Y474 AromaticContact NE2-CD1 3.66Å; H124-Y474 AromaticContact NE2-CD2 3.08Å; H124-Y474 WeakPolarHBondContact NE2-CD2 3.32Å; H124-Y474 AromaticContact NE2-CE1 3.43Å; H124-Y474 WeakPolarHBondContact NE2-CE1 3.15Å; H124-Y474 AromaticContact NE2-CE2 2.86Å; H124-Y474 WeakPolarHBondContact NE2-CE2 3.47Å; H124-Y474 AromaticContact NE2-CG 3.5Å; H124-Y474 AromaticContact NE2-CZ 3.02Å; A171-Y474 HydrophobicContact CB-CD1 4.32Å; A470-Y474 WeakPolarHBondContact O-CD2 3.4Å; A470-Y474 WeakPolarHBondContact O-CE2 3.31Å; A470-Y474 PolarHBondContact O-N 3.24Å; A470-Y474 VanDerWaalsContact O-N 3.12Å; K471-Y474 WeakPolarHBondContact O-CB 3.38Å; K471-Y474 PolarHBondContact O-N 3.25Å; K471-Y474 VanDerWaalsContact O-N 3.11Å; D472-Y474 VanDerWaalsContact C-N 3.34Å; Y474-F476 VanDerWaalsContact C-N 3.28Å; Y474-F476 PolarHBondContact O-N 3.32Å; Y474-F477 PolarHBondContact O-N 3.03Å; Y474-T478 WeakPolarHBondContact O-CB 3.39Å; Y474-T478 WeakPolarHBondContact O-CG2 3.33Å; Y474-T478 PolarHBondContact O-N 3.49Å; Y474-T478 PolarHBondContact O-OG1 2.85Å
475D94.5Very high95.1Very high53 Ų5351.2 Ų51.228%0.28327%0.267SS..Hα-helixtrans-60.3-38.7176-73.5-26.1000112.1R142 K249 K471 D472 S473 T478R142-D475 IonicContact CZ-OD1 3.62Å; R142-D475 IonicContact NH1-OD1 3.41Å; R142-D475 PolarHBondContact NH1-OD1 3.02Å; R142-D475 IonicContact NH2-OD1 3.27Å; R142-D475 PolarHBondContact NH2-OD1 2.85Å; K249-D475 PolarHBondContact NZ-O 3.19Å; K471-D475 PolarHBondContact O-N 2.85Å; D472-D475 PolarHBondContact O-N 2.84Å; S473-D475 PolarHBondContact O-N 3.25Å; D475-T478 VanDerWaalsContact O-O 3.09Å
476F97.8Very high95Very high21 Ų2154.6 Ų54.69%0.09228%0.278CS..Hα-helixtrans-70.4-47.8176.5-177.1-109.1000112.3L226 I227 K249 S251 D472 S473 Y474 T478L226-F476 HydrophobicContact CB-CE1 4.41Å; L226-F476 HydrophobicContact CB-CZ 3.99Å; L226-F476 HydrophobicContact CD1-CD1 4.36Å; L226-F476 HydrophobicContact CD1-CE1 3.91Å; L226-F476 HydrophobicContact CD1-CZ 4.3Å; L226-F476 HydrophobicContact CG-CE1 4.5Å; I227-F476 WeakPolarHBondContact O-CZ 3.26Å; K249-F476 HydrophobicContact CB-CD2 4.28Å; K249-F476 HydrophobicContact CB-CE2 3.65Å; K249-F476 HydrophobicContact CB-CZ 4.31Å; K249-F476 VanDerWaalsContact CE-O 3.3Å; K249-F476 WeakPolarHBondContact CE-O 3.19Å; K249-F476 PolarHBondContact NZ-O 3.46Å; S251-F476 VanDerWaalsContact N-CE2 3.35Å; D472-F476 WeakPolarHBondContact O-CB 3.49Å; D472-F476 PolarHBondContact O-N 3.24Å; S473-F476 PolarHBondContact O-N 3.17Å; Y474-F476 VanDerWaalsContact C-N 3.28Å; Y474-F476 PolarHBondContact O-N 3.32Å; F476-T478 VanDerWaalsContact C-N 3.33Å; F476-T478 PolarHBondContact O-N 3.49Å
477F98.4Very high94.7Very high4 Ų460.9 Ų60.92%0.01830%0.298CS..Hα-helixtrans-84.31.8-173.9-71.7-62.7000114.6V145 A148 L150 P167 A168 A171 N173 L226 S473 Y474V145-F477 PolarHBondContact N-O 3.48Å; A148-F477 HydrophobicContact CB-CD1 4.46Å; A148-F477 HydrophobicContact CB-CE1 4.13Å; L150-F477 HydrophobicContact CD2-CE1 4.07Å; L150-F477 HydrophobicContact CD2-CZ 4.2Å; P167-F477 HydrophobicContact CB-CD2 3.83Å; P167-F477 HydrophobicContact CB-CE2 3.84Å; P167-F477 HydrophobicContact CG-CD2 4.19Å; P167-F477 HydrophobicContact CG-CE2 3.67Å; A168-F477 HydrophobicContact CB-CD1 3.73Å; A168-F477 HydrophobicContact CB-CE1 3.5Å; A168-F477 HydrophobicContact CB-CE2 4.35Å; A168-F477 HydrophobicContact CB-CG 4.28Å; A168-F477 HydrophobicContact CB-CZ 3.85Å; A171-F477 HydrophobicContact CB-CB 3.84Å; N173-F477 PolarHBondContact ND2-O 2.89Å; N173-F477 PolarHBondContact OD1-O 3Å; L226-F477 HydrophobicContact CD1-CD1 3.59Å; L226-F477 HydrophobicContact CD1-CE1 4.01Å; S473-F477 WeakPolarHBondContact O-CB 3.21Å; S473-F477 WeakPolarHBondContact O-CD2 3.13Å; S473-F477 PolarHBondContact O-N 3.1Å; Y474-F477 PolarHBondContact O-N 3.03Å
478T97.6Very high94.7Very high9 Ų960.5 Ų60.56%0.05530%0.3CS..EExtended strand (participates in β ladder)trans-132.1159.7175.865.30000112.8R142 A143 A171 K249 Y474 D475 F476R142-T478 HydrophobicContact CB-CG2 4.27Å; R142-T478 PolarHBondContact NH1-OG1 2.72Å; R142-T478 VanDerWaalsContact NH1-OG1 3.07Å; A143-T478 CarbonylContact O-C 3.51Å; A143-T478 WeakPolarHBondContact O-CA 3.28Å; A143-T478 WeakPolarHBondContact O-CB 3.27Å; A171-T478 HydrophobicContact CB-CG2 3.95Å; K249-T478 PolarHBondContact NZ-O 2.79Å; Y474-T478 WeakPolarHBondContact O-CB 3.39Å; Y474-T478 WeakPolarHBondContact O-CG2 3.33Å; Y474-T478 PolarHBondContact O-N 3.49Å; Y474-T478 PolarHBondContact O-OG1 2.85Å; D475-T478 VanDerWaalsContact O-O 3.09Å; F476-T478 VanDerWaalsContact C-N 3.33Å; F476-T478 PolarHBondContact O-N 3.49Å
479E96.7Very high94.8Very high93 Ų9363.4 Ų63.444%0.43531%0.314SS..EExtended strand (participates in β ladder)trans-107137.4164.2-73.1-52.2135.900110.5R142 A143 V145 K249R142-E479 WeakPolarHBondContact CA-O 3.23Å; A143-E479 PolarHBondContact N-O 2.65Å; A143-E479 PolarHBondContact O-N 3.15Å; V145-E479 HydrophobicContact CG2-CG 4.24Å; K249-E479 VanDerWaalsContact CD-OE1 3.22Å; K249-E479 WeakPolarHBondContact CD-OE1 3.44Å; K249-E479 WeakPolarHBondContact CE-OE1 2.89Å; K249-E479 IonicContact NZ-OE1 3.86Å; K249-E479 PolarHBondContact NZ-OE1 3.06Å
480I95.4Very high95.1Very high90 Ų9066.9 Ų66.946%0.46233%0.332SS..EExtended strand (participates in β ladder)trans-87.4127174.8-57.1175.9000108.5T140 R142T140-I480 HydrophobicContact CG2-CG2 3.94Å; R142-I480 HydrophobicContact CG-CG1 4.26Å
481K95.2Very high95.4Very high123 Ų12370.5 Ų70.554%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-117.3121.3174.1-179.2-173-58.51790109.5T140 V141 I483T140-K481 CarbonylContact C-O 3.48Å; T140-K481 WeakPolarHBondContact CA-O 3.42Å; V141-K481 HydrophobicContact CG2-CB 3.82Å; V141-K481 HydrophobicContact CG2-CD 4.16Å; V141-K481 HydrophobicContact CG2-CG 4.32Å; V141-K481 PolarHBondContact N-O 3.11Å; V141-K481 PolarHBondContact O-N 3.28Å; K481-I483 HydrophobicContact CD-CD1 4.41Å; K481-I483 HydrophobicContact CD-CG1 4.26Å; K481-I483 HydrophobicContact CG-CG1 4.26Å
482T97Very high95.6Very high95 Ų9566.3 Ų66.358%0.58333%0.332SS*.EExtended strand (participates in β ladder)trans-85.7125.7171-570000109.8
483I96.9Very high95.7Very high51 Ų5167.9 Ų67.926%0.26234%0.339SS..EExtended strand (participates in β ladder)trans-112.2131175.7-59.4172.7000107.9H138 Y139 V141 K481 V485H138-I483 CarbonylContact C-O 3.47Å; H138-I483 WeakPolarHBondContact CA-O 3.48Å; Y139-I483 HydrophobicContact CD1-CB 4.42Å; Y139-I483 HydrophobicContact CD2-CB 4.33Å; Y139-I483 HydrophobicContact CE1-CB 3.98Å; Y139-I483 HydrophobicContact CE1-CG2 3.79Å; Y139-I483 HydrophobicContact CE2-CB 3.87Å; Y139-I483 HydrophobicContact CE2-CD1 3.68Å; Y139-I483 HydrophobicContact CE2-CG1 4.27Å; Y139-I483 HydrophobicContact CE2-CG2 4.28Å; Y139-I483 PolarHBondContact N-O 3.01Å; Y139-I483 PolarHBondContact O-N 3.08Å; Y139-I483 WeakPolarHBondContact OH-CG2 3.1Å; V141-I483 HydrophobicContact CG1-CD1 4.1Å; V141-I483 HydrophobicContact CG2-CD1 3.84Å; V141-I483 HydrophobicContact CG2-CG1 4.5Å; K481-I483 HydrophobicContact CD-CD1 4.41Å; K481-I483 HydrophobicContact CD-CG1 4.26Å; K481-I483 HydrophobicContact CG-CG1 4.26Å; I483-V485 HydrophobicContact CG2-CG2 4.32Å
484T97.6Very high95.7Very high75 Ų7572.5 Ų72.546%0.4636%0.362SS..EExtended strand (participates in β ladder)trans-115.6126.3177.2-57.20000109.2C136 M137 H138C136-T484 HydrophobicContact CB-CG2 4.48Å; M137-T484 WeakPolarHBondContact O-CA 3.28Å; H138-T484 WeakPolarHBondContact CE1-CG2 3.09Å; H138-T484 PolarHBondContact CE1-OG1 2.87Å; H138-T484 WeakPolarHBondContact ND1-CG2 3.44Å; H138-T484 PolarHBondContact ND1-OG1 3.38Å
485V97.4Very high96Very high59 Ų5977.4 Ų77.436%0.35839%0.387SS..EExtended strand (participates in β ladder)trans-117.7115.2176.3-177.70000108.4M137 Y139 I483M137-V485 PolarHBondContact N-O 3.33Å; M137-V485 PolarHBondContact O-N 3.23Å; Y139-V485 HydrophobicContact CE1-CG2 3.96Å; I483-V485 HydrophobicContact CG2-CG2 4.32Å
486K94.9Very high96.1Very high168 Ų16879.4 Ų79.473%0.7340%0.396SS*.EExtended strand (participates in β ladder)trans-86.7131.3171.3-170.9174.3-175.1178.70109.1G135G135-K486 CarbonylContact O-C 3.54Å; G135-K486 WeakPolarHBondContact O-CA 3.39Å
487H88.4Confident95.9Very high165 Ų16584.7 Ų84.776%0.76442%0.424SS*.  trans-132.70-178.356.7-83.8000112.1G135G135-H487 PolarHBondContact O-N 3.43Å; G135-H487 PolarHBondContact O-ND1 2.92Å

Retrieved 487 of 487 residues in 142.5 ms (Link to these results)

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