A0A087WRE3_MOUSE Loading...

Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 2

AlphaFold DB , UniProt , Accession A0A087WRE3, Species MOUSE (Mus musculus, Mouse), Gene Nmnat2, Length 279 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
1M37.1Very low78.1Confident245 Ų24591.3 Ų91.3100%1.20748%0.482SS*.  0114.60-75.9170.1164.100105.9E3M1-E3 PolarHBondContact O-N 2.93Å
2T47.4Very low79.8Confident134 Ų13483.7 Ų83.782%0.82244%0.441SS*.  trans-68.4121.2176.745.20000107.9T4T2-T4 PolarHBondContact O-N 3.16Å
3E55.6Low81.3Confident194 Ų19477.4 Ų77.491%0.90741%0.409SS*.  trans-57.1114.1167.9-82.1-171.1141.700107.9M1 T5M1-E3 PolarHBondContact O-N 2.93Å; E3-T5 PolarHBondContact O-N 3.25Å
4T65.3Low82.5Confident128 Ų12873.2 Ų73.279%0.78539%0.389SS*.PPolyproline II helixtrans-70.1117.1169.870000107.6T2 K6T2-T4 PolarHBondContact O-N 3.16Å; T4-K6 PolarHBondContact O-N 3.41Å
5T83.5Confident83.5Confident108 Ų10870.1 Ų70.166%0.66338%0.381SS*.PPolyproline II helixtrans-57.9131.6172.749.20000109.2E3E3-T5 PolarHBondContact O-N 3.25Å
6K89.6Confident84.4Confident107 Ų10766.8 Ų66.847%0.46537%0.365SS..PPolyproline II helixtrans-86.9137.2-179.9-64.6-177.9-177.8175.20110.1T4 H8 G39 R40 I42T4-K6 PolarHBondContact O-N 3.41Å; K6-H8 PolarHBondContact O-ND1 3.36Å; K6-G39 WeakPolarHBondContact CE-O 3.5Å; K6-R40 WeakPolarHBondContact CA-O 3.46Å; K6-I42 HydrophobicContact CB-CD1 3.89Å; K6-I42 HydrophobicContact CB-CG1 3.89Å; K6-I42 HydrophobicContact CD-CD1 3.87Å; K6-I42 HydrophobicContact CD-CG1 3.74Å; K6-I42 HydrophobicContact CG-CD1 4.5Å; K6-I42 HydrophobicContact CG-CG1 4.48Å
7T92.8Very high85.1Confident19 Ų1963.3 Ų63.312%0.11735%0.345CS..EExtended strand (participates in β ladder)trans-77.3126.6175.2-52.80000109.8V9 R40 F41 I42 E192 R194T7-V9 HydrophobicContact CG2-CG1 4.16Å; T7-R40 PolarHBondContact N-O 2.86Å; T7-F41 HydrophobicContact CG2-CD1 4.25Å; T7-F41 HydrophobicContact CG2-CE1 4.28Å; T7-F41 CarbonylContact O-C 3.58Å; T7-F41 VanDerWaalsContact O-CA 3.24Å; T7-F41 WeakPolarHBondContact O-CA 3.38Å; T7-I42 PolarHBondContact O-N 2.91Å; T7-E192 HydrophobicContact CG2-CB 4.31Å; T7-E192 HydrophobicContact CG2-CG 4.02Å; T7-E192 PolarHBondContact OG1-OE2 2.99Å; T7-R194 HydrophobicContact CG2-CG 4.06Å
8H94.2Very high85.7Confident45 Ų4560.7 Ų60.721%0.20833%0.331CS..EExtended strand (participates in β ladder)trans-84.7137.7176.3-66.861.1000109.3K6 I42 I44 I191 E192 L193 R194K6-H8 PolarHBondContact O-ND1 3.36Å; H8-I42 CarbonylContact C-O 3.54Å; H8-I42 VanDerWaalsContact CA-O 3.31Å; H8-I42 WeakPolarHBondContact CA-O 3.41Å; H8-I44 HydrophobicContact CB-CD1 4.36Å; H8-I44 HydrophobicContact CB-CG2 4.43Å; H8-I191 HydrophobicContact CB-CG2 4.07Å; H8-I191 WeakPolarHBondContact ND1-CG2 3.33Å; H8-E192 PolarHBondContact N-O 3.07Å; H8-L193 HydrophobicContact CB-CD1 4.05Å; H8-L193 CarbonylContact O-C 3.55Å; H8-L193 WeakPolarHBondContact O-CA 3.37Å; H8-R194 PolarHBondContact O-N 2.86Å
9V96.7Very high86.3Confident0 Ų059.1 Ų59.10%032%0.323CS..EExtended strand (participates in β ladder)trans-135.5144-173.9-56.30000112.9T7 L35 F41 I42 V43 I44 R194 L196T7-V9 HydrophobicContact CG2-CG1 4.16Å; V9-L35 HydrophobicContact CG2-CD1 4.15Å; V9-F41 HydrophobicContact CG1-CD1 3.62Å; V9-F41 HydrophobicContact CG1-CE1 4.24Å; V9-F41 HydrophobicContact CG1-CG 4.44Å; V9-F41 HydrophobicContact CG2-CB 4.4Å; V9-I42 PolarHBondContact N-O 3.01Å; V9-V43 HydrophobicContact CG2-CB 4.13Å; V9-V43 HydrophobicContact CG2-CG1 4.48Å; V9-V43 HydrophobicContact CG2-CG2 3.67Å; V9-V43 WeakPolarHBondContact O-CA 3.43Å; V9-I44 PolarHBondContact O-N 3.41Å; V9-R194 CarbonylContact C-O 3.5Å; V9-R194 VanDerWaalsContact CA-O 3.25Å; V9-R194 WeakPolarHBondContact CA-O 3.46Å; V9-R194 HydrophobicContact CG1-CB 4.35Å; V9-L196 HydrophobicContact CB-CD1 4.06Å; V9-L196 HydrophobicContact CB-CG 4.41Å; V9-L196 HydrophobicContact CG1-CD1 3.94Å; V9-L196 HydrophobicContact CG1-CG 4.38Å; V9-L196 HydrophobicContact CG2-CD1 4.34Å
10I98.1Very high86.9Confident24 Ų2457.1 Ų57.112%0.12331%0.312CS..EExtended strand (participates in β ladder)trans-108.5131165-62.7-172.5000108.3I44 G45 I47 M106 L193 R194 I195 L196I10-I44 HydrophobicContact CG1-CD1 4.4Å; I10-I44 HydrophobicContact CG1-CG1 3.97Å; I10-G45 WeakPolarHBondContact CA-O 3.41Å; I10-I47 HydrophobicContact CG2-CD1 3.73Å; I10-I47 HydrophobicContact CG2-CG1 3.86Å; I10-M106 HydrophobicContact CB-SD 4.41Å; I10-M106 HydrophobicContact CD1-CG 4.22Å; I10-M106 HydrophobicContact CD1-SD 3.49Å; I10-M106 WeakPolarHBondContact CD1-SD 3.34Å; I10-M106 HydrophobicContact CG1-SD 4.08Å; I10-L193 HydrophobicContact CG1-CD1 4.31Å; I10-R194 PolarHBondContact N-O 3.28Å; I10-I195 HydrophobicContact CB-CG1 4.14Å; I10-I195 WeakPolarHBondContact O-CA 3.42Å; I10-L196 PolarHBondContact O-N 3.3Å
11L98.8Very high87.3Confident0 Ų055 Ų550%030%0.301CS..EExtended strand (participates in β ladder)trans-90.9123.8174.4-61.6-179.6000109.3F28 A31 L35 V43 G45 G46 I47 W79 L196 L198 V228L11-F28 HydrophobicContact CB-CD1 4.21Å; L11-F28 HydrophobicContact CB-CE1 4.09Å; L11-A31 HydrophobicContact CD1-CB 3.75Å; L11-L35 HydrophobicContact CD1-CD1 4.44Å; L11-L35 HydrophobicContact CD2-CD1 3.76Å; L11-V43 HydrophobicContact CD1-CG1 4.02Å; L11-V43 HydrophobicContact CD1-CG2 4.48Å; L11-V43 HydrophobicContact CG-CG1 3.99Å; L11-G45 PolarHBondContact N-O 2.84Å; L11-G46 CarbonylContact O-C 3.56Å; L11-G46 VanDerWaalsContact O-CA 3.3Å; L11-G46 WeakPolarHBondContact O-CA 3.37Å; L11-I47 PolarHBondContact O-N 3.29Å; L11-W79 HydrophobicContact CD1-CH2 4.21Å; L11-W79 HydrophobicContact CD1-CZ3 4.25Å; L11-L196 HydrophobicContact CD2-CB 4.14Å; L11-L196 HydrophobicContact CD2-CD1 4.33Å; L11-L198 HydrophobicContact CB-CB 4.31Å; L11-L198 HydrophobicContact CB-CD2 4.34Å; L11-L198 HydrophobicContact CD1-CD2 4.39Å; L11-V228 HydrophobicContact CD2-CG2 4.03Å
12L98.9Very high89.9Confident0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-113121.1176.3175.767.7000109.6I47 V98 L99 I195 L196 L197 L198L12-I47 WeakPolarHBondContact CA-O 3.41Å; L12-I47 HydrophobicContact CD1-CB 3.59Å; L12-I47 HydrophobicContact CD1-CG2 3.43Å; L12-I47 VanDerWaalsContact CD1-CG2 3.43Å; L12-V98 HydrophobicContact CD2-CG1 4.12Å; L12-L99 HydrophobicContact CB-CD2 4.44Å; L12-L99 HydrophobicContact CD2-CD2 3.61Å; L12-L99 HydrophobicContact CD2-CG 3.97Å; L12-I195 HydrophobicContact CB-CG2 3.88Å; L12-I195 HydrophobicContact CD2-CG2 4.37Å; L12-L196 PolarHBondContact N-O 3.12Å; L12-L197 CarbonylContact O-C 3.53Å; L12-L197 WeakPolarHBondContact O-CA 3.34Å; L12-L198 PolarHBondContact O-N 3.48Å
13A98.8Very high92Very high2 Ų245.4 Ų45.42%0.01725%0.245CC..EExtended strand (participates in β ladder)trans-109.7111.4171.700000110.2F17 M27 F28 I47 S49 L198A13-F17 HydrophobicContact CB-CZ 4.29Å; A13-F17 WeakPolarHBondContact O-CZ 3.37Å; A13-M27 HydrophobicContact CB-CE 4.21Å; A13-F28 HydrophobicContact CB-CE1 4.45Å; A13-F28 HydrophobicContact CB-CE2 3.64Å; A13-F28 HydrophobicContact CB-CZ 3.42Å; A13-F28 VanDerWaalsContact CB-CZ 3.42Å; A13-I47 PolarHBondContact N-O 2.79Å; A13-S49 PolarHBondContact O-N 2.88Å; A13-L198 HydrophobicContact CB-CB 4.34Å
14C98.5Very high93.9Very high19 Ų1937.5 Ų37.513%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-88.2142.9170-55.20000109.8S49 T95C14-S49 WeakPolarHBondContact CA-O 3.44Å; C14-T95 HydrophobicContact CB-CG2 4.31Å
15G97.1Very high95.4Very high26 Ų2633.2 Ų33.227%0.26818%0.18SC..EExtended strand (participates in β ladder)trans173.6172.4177.100000114.7F17 S49 P50 V51G15-F17 WeakPolarHBondContact O-CD2 3.5Å; G15-F17 WeakPolarHBondContact O-CE2 3.26Å; G15-S49 PolarHBondContact N-O 2.87Å; G15-P50 WeakPolarHBondContact O-CA 3.22Å; G15-V51 PolarHBondContact O-N 2.99Å
16S97.5Very high95.9Very high18 Ų1831.2 Ų31.213%0.12616%0.163CC..  trans-66.9-41.1178.7-48.70000112.4N18 K57 R66S16-N18 PolarHBondContact O-N 3.06Å; S16-K57 WeakPolarHBondContact OG-CD 3.43Å; S16-K57 PolarHBondContact OG-NZ 2.89Å; S16-R66 VanDerWaalsContact O-CD 3.24Å; S16-R66 WeakPolarHBondContact O-CD 3.38Å; S16-R66 PolarHBondContact O-NH1 3.14Å
17F97.5Very high96.1Very high7 Ų727 Ų273%0.03115%0.145CC..  trans47.758.4-171.9-53.3-75000112.6A13 G15 P19 I20 H24 V48 S49 P50 C70A13-F17 HydrophobicContact CB-CZ 4.29Å; A13-F17 WeakPolarHBondContact O-CZ 3.37Å; G15-F17 WeakPolarHBondContact O-CD2 3.5Å; G15-F17 WeakPolarHBondContact O-CE2 3.26Å; F17-P19 VanDerWaalsContact C-CA 3.46Å; F17-P19 CarbonylContact C-O 3.55Å; F17-P19 CarbonylContact O-C 3.54Å; F17-P19 VanDerWaalsContact O-CA 3.28Å; F17-P19 WeakPolarHBondContact O-CA 3.36Å; F17-I20 HydrophobicContact CB-CB 4.13Å; F17-I20 HydrophobicContact CD1-CB 4.31Å; F17-I20 HydrophobicContact CD1-CD1 4.1Å; F17-I20 HydrophobicContact CD1-CG1 4Å; F17-I20 PolarHBondContact O-N 2.98Å; F17-H24 HydrophobicContact CD1-CB 4.5Å; F17-H24 AromaticContact CD1-CD2 3.67Å; F17-H24 HydrophobicContact CE1-CB 4.29Å; F17-H24 AromaticContact CE1-CD2 3.56Å; F17-V48 HydrophobicContact CD1-CG1 4.27Å; F17-V48 HydrophobicContact CD2-CG1 3.95Å; F17-V48 HydrophobicContact CE1-CG1 3.98Å; F17-V48 HydrophobicContact CE2-CG1 3.65Å; F17-V48 HydrophobicContact CG-CG1 4.26Å; F17-V48 HydrophobicContact CZ-CG1 3.68Å; F17-S49 WeakPolarHBondContact CE2-O 3.33Å; F17-P50 HydrophobicContact CD2-CB 4.07Å; F17-P50 HydrophobicContact CD2-CG 4.05Å; F17-C70 VanDerWaalsContact CB-SG 3.55Å
18N96.1Very high96.4Very high17 Ų1726.1 Ų26.19%0.09114%0.14CC..THydrogen-bonded Turntrans-121.169.8-169.1-170.452.6000113.2S16 G59 L60 V61 S270 S274S16-N18 PolarHBondContact O-N 3.06Å; N18-G59 PolarHBondContact ND2-O 2.98Å; N18-L60 HydrophobicContact CB-CD1 4.07Å; N18-V61 WeakPolarHBondContact OD1-CB 3.37Å; N18-V61 WeakPolarHBondContact OD1-CG2 3.23Å; N18-V61 PolarHBondContact OD1-N 3.37Å; N18-S270 WeakPolarHBondContact O-CB 3.48Å; N18-S274 PolarHBondContact O-OG 3.46Å
19P96.7Very high96.5Very high29 Ų2926.6 Ų26.619%0.18814%0.142CC..THydrogen-bonded Turncis-86.3170.7-5.236-35.9000112.3F17 M69 S270F17-P19 VanDerWaalsContact C-CA 3.46Å; F17-P19 CarbonylContact C-O 3.55Å; F17-P19 CarbonylContact O-C 3.54Å; F17-P19 VanDerWaalsContact O-CA 3.28Å; F17-P19 WeakPolarHBondContact O-CA 3.36Å; P19-M69 HydrophobicContact CB-CE 3.87Å; P19-M69 HydrophobicContact CB-SD 3.66Å; P19-S270 WeakPolarHBondContact O-CB 3.42Å; P19-S270 PolarHBondContact O-OG 2.8Å
20I97.3Very high96.4Very high19 Ų1928.4 Ų28.410%0.09715%0.149CC..  trans-59.8149.6163.7-166.6161.5000110F17 H24 I25 V48 M69 C70 A73F17-I20 HydrophobicContact CB-CB 4.13Å; F17-I20 HydrophobicContact CD1-CB 4.31Å; F17-I20 HydrophobicContact CD1-CD1 4.1Å; F17-I20 HydrophobicContact CD1-CG1 4Å; F17-I20 PolarHBondContact O-N 2.98Å; I20-H24 HydrophobicContact CD1-CB 4.47Å; I20-H24 HydrophobicContact CG1-CB 3.96Å; I20-I25 HydrophobicContact CD1-CD1 3.94Å; I20-V48 HydrophobicContact CD1-CG1 4.35Å; I20-M69 HydrophobicContact CG2-CB 4.27Å; I20-C70 HydrophobicContact CD1-CB 4.29Å; I20-A73 HydrophobicContact CD1-CB 4.02Å; I20-A73 HydrophobicContact CG1-CB 4.33Å; I20-A73 HydrophobicContact CG2-CB 3.59Å
21T95.1Very high96.4Very high14 Ų1427.3 Ų27.39%0.08614%0.143CC..  trans-134.1165-178.772.90000110.4G23 H24 V268T21-G23 PolarHBondContact O-N 2.88Å; T21-G23 VanDerWaalsContact O-N 3.17Å; T21-G23 PolarHBondContact OG1-N 3.23Å; T21-H24 PolarHBondContact N-ND1 3.17Å; T21-H24 WeakPolarHBondContact O-CB 3.36Å; T21-H24 PolarHBondContact O-N 3.38Å; T21-H24 PolarHBondContact OG1-CE1 3.14Å; T21-H24 PolarHBondContact OG1-ND1 2.99Å; T21-V268 WeakPolarHBondContact CB-O 3.48Å; T21-V268 HydrophobicContact CG2-CG1 4.26Å; T21-V268 PolarHBondContact OG1-O 3.27Å
22K92Very high96.3Very high165 Ų16529.9 Ų29.972%0.71715%0.153SC*.Hα-helixtrans-55.7-30.6172.6-69.5-173.1178.9-178.60112.9H24 I25 Q26K22-H24 VanDerWaalsContact C-N 3.29Å; K22-H24 PolarHBondContact O-N 3.49Å; K22-I25 PolarHBondContact O-N 2.79Å; K22-Q26 WeakPolarHBondContact O-CB 3.45Å; K22-Q26 WeakPolarHBondContact O-CG 3.5Å; K22-Q26 PolarHBondContact O-N 3.46Å
23G91.3Very high96.2Very high13 Ų1333.7 Ų33.713%0.13417%0.173CC..Hα-helixtrans-60.8-36.4175.400000112.9T21 M27T21-G23 PolarHBondContact O-N 2.88Å; T21-G23 VanDerWaalsContact O-N 3.17Å; T21-G23 PolarHBondContact OG1-N 3.23Å; G23-M27 WeakPolarHBondContact O-CB 3.46Å; G23-M27 PolarHBondContact O-N 3.26Å
24H95.4Very high96Very high28 Ų2836.3 Ų36.313%0.1318%0.183CC..Hα-helixtrans-66.6-41.9175.1-59.491.2000111.3F17 I20 T21 K22 M27 F28 S270F17-H24 HydrophobicContact CD1-CB 4.5Å; F17-H24 AromaticContact CD1-CD2 3.67Å; F17-H24 HydrophobicContact CE1-CB 4.29Å; F17-H24 AromaticContact CE1-CD2 3.56Å; I20-H24 HydrophobicContact CD1-CB 4.47Å; I20-H24 HydrophobicContact CG1-CB 3.96Å; T21-H24 PolarHBondContact N-ND1 3.17Å; T21-H24 WeakPolarHBondContact O-CB 3.36Å; T21-H24 PolarHBondContact O-N 3.38Å; T21-H24 PolarHBondContact OG1-CE1 3.14Å; T21-H24 PolarHBondContact OG1-ND1 2.99Å; K22-H24 VanDerWaalsContact C-N 3.29Å; K22-H24 PolarHBondContact O-N 3.49Å; H24-M27 WeakPolarHBondContact O-CB 3.31Å; H24-M27 PolarHBondContact O-N 3.09Å; H24-F28 WeakPolarHBondContact O-CD2 3.25Å; H24-F28 PolarHBondContact O-N 3.23Å; H24-S270 PolarHBondContact CE1-OG 3.36Å
25I96.7Very high95.9Very high38 Ų3835.4 Ų35.420%0.19518%0.177CC..Hα-helixtrans-68.1-43178.3-52.2-52.6000110.8I20 K22 M27 F28 E29 A73 V74 I80I20-I25 HydrophobicContact CD1-CD1 3.94Å; K22-I25 PolarHBondContact O-N 2.79Å; I25-M27 PolarHBondContact O-N 2.89Å; I25-F28 WeakPolarHBondContact O-CB 3.31Å; I25-F28 PolarHBondContact O-N 2.98Å; I25-F28 VanDerWaalsContact O-N 3.09Å; I25-E29 PolarHBondContact O-N 3.46Å; I25-E29 VanDerWaalsContact O-N 3.16Å; I25-A73 HydrophobicContact CD1-CB 4.43Å; I25-V74 HydrophobicContact CD1-CG1 3.77Å; I25-I80 HydrophobicContact CG2-CD1 4.46Å
26Q94.3Very high95.8Very high66 Ų6637.7 Ų37.731%0.30818%0.181SC..Hα-helixtrans-60.1-32.8175.2-74.4178.1-18.300112.6K22 F28 E29 R30 S266K22-Q26 WeakPolarHBondContact O-CB 3.45Å; K22-Q26 WeakPolarHBondContact O-CG 3.5Å; K22-Q26 PolarHBondContact O-N 3.46Å; Q26-F28 VanDerWaalsContact C-N 3.35Å; Q26-E29 PolarHBondContact O-N 2.89Å; Q26-R30 WeakPolarHBondContact O-CB 3.49Å; Q26-R30 WeakPolarHBondContact O-CG 3.24Å; Q26-R30 PolarHBondContact O-N 3.38Å; Q26-S266 PolarHBondContact OE1-OG 3.26Å
27M95.1Very high95.7Very high17 Ų1743.6 Ų43.68%0.08420%0.204CC..Hα-helixtrans-61.1-42.3174.4-177.4172.369.600111.7A13 G23 H24 I25 A31 L198 C199 V230A13-M27 HydrophobicContact CB-CE 4.21Å; G23-M27 WeakPolarHBondContact O-CB 3.46Å; G23-M27 PolarHBondContact O-N 3.26Å; H24-M27 WeakPolarHBondContact O-CB 3.31Å; H24-M27 PolarHBondContact O-N 3.09Å; I25-M27 PolarHBondContact O-N 2.89Å; M27-A31 VanDerWaalsContact O-CB 3.3Å; M27-A31 WeakPolarHBondContact O-CB 3.47Å; M27-A31 PolarHBondContact O-N 3.05Å; M27-A31 VanDerWaalsContact O-N 3.12Å; M27-L198 HydrophobicContact CE-CD2 4.34Å; M27-L198 HydrophobicContact CE-CG 4.11Å; M27-L198 HydrophobicContact CG-CD1 3.9Å; M27-L198 HydrophobicContact CG-CD2 4.15Å; M27-L198 HydrophobicContact CG-CG 3.99Å; M27-L198 HydrophobicContact SD-CG 4.37Å; M27-C199 VanDerWaalsContact SD-C 3.53Å; M27-V230 HydrophobicContact CG-CB 3.83Å; M27-V230 HydrophobicContact CG-CG1 4.48Å; M27-V230 HydrophobicContact CG-CG2 3.7Å
28F98Very high95.5Very high1 Ų145.4 Ų45.40%0.00422%0.216CC..Hα-helixtrans-62.6-50.2173.9-83.5-87.7000111.9L11 A13 H24 I25 Q26 R30 A31 R32 I47 V48 W79 I80 L198L11-F28 HydrophobicContact CB-CD1 4.21Å; L11-F28 HydrophobicContact CB-CE1 4.09Å; A13-F28 HydrophobicContact CB-CE1 4.45Å; A13-F28 HydrophobicContact CB-CE2 3.64Å; A13-F28 HydrophobicContact CB-CZ 3.42Å; A13-F28 VanDerWaalsContact CB-CZ 3.42Å; H24-F28 WeakPolarHBondContact O-CD2 3.25Å; H24-F28 PolarHBondContact O-N 3.23Å; I25-F28 WeakPolarHBondContact O-CB 3.31Å; I25-F28 PolarHBondContact O-N 2.98Å; I25-F28 VanDerWaalsContact O-N 3.09Å; Q26-F28 VanDerWaalsContact C-N 3.35Å; F28-R30 PolarHBondContact O-N 2.97Å; F28-A31 PolarHBondContact O-N 2.69Å; F28-R32 WeakPolarHBondContact O-CB 3.49Å; F28-R32 PolarHBondContact O-N 3.05Å; F28-I47 WeakPolarHBondContact CZ-O 3.36Å; F28-V48 HydrophobicContact CE2-CG2 3.74Å; F28-V48 HydrophobicContact CZ-CG2 3.91Å; F28-W79 HydrophobicContact CB-CH2 3.68Å; F28-W79 HydrophobicContact CB-CZ2 3.78Å; F28-W79 AromaticContact CD1-CH2 3.88Å; F28-W79 HydrophobicContact CD1-CH2 3.88Å; F28-W79 HydrophobicContact CD1-CZ3 4.2Å; F28-W79 HydrophobicContact CG-CH2 4.27Å; F28-W79 WeakPolarHBondContact O-CH2 3.3Å; F28-I80 HydrophobicContact CB-CD1 3.55Å; F28-I80 HydrophobicContact CB-CG1 4.36Å; F28-I80 HydrophobicContact CD1-CD1 4.31Å; F28-I80 HydrophobicContact CD1-CG1 4.32Å; F28-I80 HydrophobicContact CD2-CD1 4.4Å; F28-I80 HydrophobicContact CE1-CG2 4.48Å; F28-I80 HydrophobicContact CG-CD1 3.86Å; F28-I80 HydrophobicContact CG-CG1 4.37Å; F28-L198 HydrophobicContact CB-CD2 4.22Å; F28-L198 HydrophobicContact CD1-CD2 3.5Å; F28-L198 HydrophobicContact CD2-CD2 3.86Å; F28-L198 HydrophobicContact CE1-CD2 3.7Å; F28-L198 HydrophobicContact CE2-CD2 4.04Å; F28-L198 HydrophobicContact CG-CD2 3.59Å; F28-L198 HydrophobicContact CZ-CD2 3.97Å
29E96.6Very high95.3Very high55 Ų5546.5 Ų46.526%0.25723%0.231SC..Hα-helixtrans-59.8-45.7-177.7-62.7-57.5152.500111.9I25 Q26 A31 R32 D33 W79I25-E29 PolarHBondContact O-N 3.46Å; I25-E29 VanDerWaalsContact O-N 3.16Å; Q26-E29 PolarHBondContact O-N 2.89Å; E29-A31 PolarHBondContact O-N 3.36Å; E29-R32 PolarHBondContact O-N 3.4Å; E29-R32 IonicContact OE1-NH2 2.77Å; E29-R32 IonicContact OE2-CZ 3.4Å; E29-R32 IonicContact OE2-NE 3.84Å; E29-R32 PolarHBondContact OE2-NE 3.14Å; E29-R32 IonicContact OE2-NH2 3.86Å; E29-R32 PolarHBondContact OE2-NH2 3.43Å; E29-D33 PolarHBondContact O-N 3.45Å; E29-W79 PolarHBondContact OE1-NE1 3.18Å
30R94.9Very high95.1Very high39 Ų3951.5 Ų51.515%0.14725%0.246CC..Hα-helixtrans-64-43.2177.9-72.3-178.6-168.9-135.8-6.1113.1Q26 F28 R32 D33 Y34 V230 V257 D259 H263 P264 M265Q26-R30 WeakPolarHBondContact O-CB 3.49Å; Q26-R30 WeakPolarHBondContact O-CG 3.24Å; Q26-R30 PolarHBondContact O-N 3.38Å; F28-R30 PolarHBondContact O-N 2.97Å; R30-R32 VanDerWaalsContact C-N 3.32Å; R30-D33 PolarHBondContact O-N 3.23Å; R30-Y34 WeakPolarHBondContact O-CB 3.46Å; R30-Y34 PolarHBondContact O-N 3.27Å; R30-V230 HydrophobicContact CB-CG1 4.39Å; R30-V257 HydrophobicContact CB-CG1 4.35Å; R30-D259 IonicContact CZ-OD1 2.69Å; R30-D259 IonicContact NH1-OD1 3.59Å; R30-D259 PolarHBondContact NH1-OD1 2.84Å; R30-D259 IonicContact NH1-OD2 3.4Å; R30-H263 VanDerWaalsContact CZ-O 3.25Å; R30-H263 PolarHBondContact NH1-O 3.38Å; R30-H263 PolarHBondContact NH2-O 2.94Å; R30-P264 VanDerWaalsContact NH2-C 3.34Å; R30-P264 PolarHBondContact NH2-O 3.18Å; R30-M265 VanDerWaalsContact CZ-CG 3.46Å; R30-M265 VanDerWaalsContact NH1-CG 3.35Å
31A97.3Very high95Very high0 Ų051.1 Ų51.10%024%0.244CC..Hα-helixtrans-62.2-43.1177.400000111.2L11 M27 F28 E29 L35 L198 V228 V230 V257L11-A31 HydrophobicContact CD1-CB 3.75Å; M27-A31 VanDerWaalsContact O-CB 3.3Å; M27-A31 WeakPolarHBondContact O-CB 3.47Å; M27-A31 PolarHBondContact O-N 3.05Å; M27-A31 VanDerWaalsContact O-N 3.12Å; F28-A31 PolarHBondContact O-N 2.69Å; E29-A31 PolarHBondContact O-N 3.36Å; A31-L35 WeakPolarHBondContact O-CB 3.39Å; A31-L35 WeakPolarHBondContact O-CG 3.38Å; A31-L35 PolarHBondContact O-N 3.28Å; A31-L198 HydrophobicContact CB-CD1 3.44Å; A31-L198 VanDerWaalsContact CB-CD1 3.44Å; A31-L198 HydrophobicContact CB-CD2 4.36Å; A31-V228 HydrophobicContact CB-CG1 3.75Å; A31-V230 HydrophobicContact CB-CG2 4.15Å; A31-V257 HydrophobicContact CB-CG2 4.5Å
32R97.6Very high95Very high55 Ų5553.1 Ų53.121%0.20825%0.253CS..Hα-helixtrans-59.8-54175.5177.1170.573.1158.11.9112F28 E29 R30 Y34 L35 H36 V43 W79F28-R32 WeakPolarHBondContact O-CB 3.49Å; F28-R32 PolarHBondContact O-N 3.05Å; E29-R32 PolarHBondContact O-N 3.4Å; E29-R32 IonicContact OE1-NH2 2.77Å; E29-R32 IonicContact OE2-CZ 3.4Å; E29-R32 IonicContact OE2-NE 3.84Å; E29-R32 PolarHBondContact OE2-NE 3.14Å; E29-R32 IonicContact OE2-NH2 3.86Å; E29-R32 PolarHBondContact OE2-NH2 3.43Å; R30-R32 VanDerWaalsContact C-N 3.32Å; R32-Y34 VanDerWaalsContact C-N 3.31Å; R32-Y34 PolarHBondContact O-N 2.97Å; R32-L35 PolarHBondContact O-N 3.3Å; R32-H36 PolarHBondContact O-N 2.94Å; R32-V43 HydrophobicContact CB-CB 4.45Å; R32-V43 HydrophobicContact CB-CG1 4.48Å; R32-V43 HydrophobicContact CB-CG2 4.27Å; R32-V43 HydrophobicContact CG-CB 3.94Å; R32-V43 HydrophobicContact CG-CG1 4.3Å; R32-V43 HydrophobicContact CG-CG2 4.1Å; R32-W79 HydrophobicContact CB-CH2 3.68Å; R32-W79 HydrophobicContact CB-CZ2 3.96Å; R32-W79 HydrophobicContact CB-CZ3 4.33Å; R32-W79 HydrophobicContact CG-CH2 4.34Å; R32-W79 HydrophobicContact CG-CZ2 4.47Å; R32-W79 VanDerWaalsContact CZ-CE2 3.46Å; R32-W79 VanDerWaalsContact NH1-CG 3.34Å
33D96Very high95.3Very high79 Ų7945.9 Ų45.942%0.42222%0.223SC..Hα-helixtrans-58.2-45-179.6-73.1-7.8000111.5E29 R30 H36 K37E29-D33 PolarHBondContact O-N 3.45Å; R30-D33 PolarHBondContact O-N 3.23Å; D33-H36 PolarHBondContact O-N 3.47Å; D33-K37 WeakPolarHBondContact O-CB 3.26Å; D33-K37 VanDerWaalsContact O-CG 3.22Å; D33-K37 WeakPolarHBondContact O-CG 3.26Å; D33-K37 PolarHBondContact O-N 2.97Å
34Y96Very high95.5Very high57 Ų5749.4 Ų49.422%0.22424%0.238CC..Hα-helixtrans-61-48.5177.9176-98000112R30 R32 H36 K37 T38 M255 V256 V257R30-Y34 WeakPolarHBondContact O-CB 3.46Å; R30-Y34 PolarHBondContact O-N 3.27Å; R32-Y34 VanDerWaalsContact C-N 3.31Å; R32-Y34 PolarHBondContact O-N 2.97Å; Y34-H36 PolarHBondContact O-N 3.3Å; Y34-K37 PolarHBondContact O-N 3.17Å; Y34-T38 HydrophobicContact CE1-CG2 4.23Å; Y34-T38 VanDerWaalsContact O-CG2 3.23Å; Y34-T38 WeakPolarHBondContact O-CG2 3.48Å; Y34-T38 PolarHBondContact O-N 3.45Å; Y34-T38 VanDerWaalsContact O-N 3.15Å; Y34-M255 HydrophobicContact CE1-CB 4.4Å; Y34-V256 PolarHBondContact OH-O 2.94Å; Y34-V257 HydrophobicContact CD1-CB 4.5Å; Y34-V257 HydrophobicContact CD1-CG2 3.83Å; Y34-V257 HydrophobicContact CD2-CB 4.5Å; Y34-V257 HydrophobicContact CD2-CG1 4.22Å; Y34-V257 HydrophobicContact CG-CB 4.21Å; Y34-V257 HydrophobicContact CG-CG1 4.06Å; Y34-V257 HydrophobicContact CG-CG2 3.87Å
35L96.1Very high95.6Very high0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-63.6-42.7-179.5-72.8174.1000111.9V9 L11 A31 R32 T38 F41 V43 L196 V228 M255V9-L35 HydrophobicContact CG2-CD1 4.15Å; L11-L35 HydrophobicContact CD1-CD1 4.44Å; L11-L35 HydrophobicContact CD2-CD1 3.76Å; A31-L35 WeakPolarHBondContact O-CB 3.39Å; A31-L35 WeakPolarHBondContact O-CG 3.38Å; A31-L35 PolarHBondContact O-N 3.28Å; R32-L35 PolarHBondContact O-N 3.3Å; L35-T38 WeakPolarHBondContact O-CB 3.37Å; L35-T38 PolarHBondContact O-N 3.34Å; L35-T38 PolarHBondContact O-OG1 2.74Å; L35-F41 HydrophobicContact CB-CB 4.09Å; L35-F41 HydrophobicContact CB-CD2 4.44Å; L35-F41 HydrophobicContact CD2-CD2 3.63Å; L35-F41 HydrophobicContact CD2-CE2 4.01Å; L35-F41 HydrophobicContact CD2-CG 4.19Å; L35-V43 HydrophobicContact CB-CG2 3.91Å; L35-V43 HydrophobicContact CD1-CG2 3.75Å; L35-L196 HydrophobicContact CD1-CD1 4.27Å; L35-V228 HydrophobicContact CD1-CG2 4.02Å; L35-V228 HydrophobicContact CD2-CG2 4.34Å; L35-M255 HydrophobicContact CD2-CE 4.24Å; L35-M255 HydrophobicContact CD2-SD 3.51Å; L35-M255 VanDerWaalsContact CD2-SD 3.51Å
36H95.4Very high95.7Very high75 Ų7546.8 Ų46.835%0.34723%0.228SC..Hα-helixtrans-63.4-43.5175.1-70.1169.5000111.9R32 D33 Y34 T38 G39 V43R32-H36 PolarHBondContact O-N 2.94Å; D33-H36 PolarHBondContact O-N 3.47Å; Y34-H36 PolarHBondContact O-N 3.3Å; H36-T38 PolarHBondContact O-N 3.19Å; H36-G39 PolarHBondContact O-N 3.29Å; H36-V43 PolarHBondContact CD2-N 3.4Å; H36-V43 PolarHBondContact NE2-N 3.06Å; H36-V43 PolarHBondContact NE2-O 2.99Å
37K94.1Very high95.9Very high141 Ų14144.9 Ų44.961%0.61322%0.22SC*.Hα-helixtrans-59.1-27.8176.4-78.8173180176.50113.1D33 Y34 G39 D260D33-K37 WeakPolarHBondContact O-CB 3.26Å; D33-K37 VanDerWaalsContact O-CG 3.22Å; D33-K37 WeakPolarHBondContact O-CG 3.26Å; D33-K37 PolarHBondContact O-N 2.97Å; Y34-K37 PolarHBondContact O-N 3.17Å; K37-G39 PolarHBondContact O-N 3.06Å; K37-D260 IonicContact NZ-OD2 2.71Å; K37-D260 PolarHBondContact NZ-OD2 3.11Å
38T92.9Very high96.1Very high45 Ų4544.1 Ų44.128%0.27622%0.216SC..THydrogen-bonded Turntrans-66.5-17.3175.973.80000113.2Y34 L35 H36 R40Y34-T38 HydrophobicContact CE1-CG2 4.23Å; Y34-T38 VanDerWaalsContact O-CG2 3.23Å; Y34-T38 WeakPolarHBondContact O-CG2 3.48Å; Y34-T38 PolarHBondContact O-N 3.45Å; Y34-T38 VanDerWaalsContact O-N 3.15Å; L35-T38 WeakPolarHBondContact O-CB 3.37Å; L35-T38 PolarHBondContact O-N 3.34Å; L35-T38 PolarHBondContact O-OG1 2.74Å; H36-T38 PolarHBondContact O-N 3.19Å; T38-R40 PolarHBondContact O-N 3.31Å; T38-R40 VanDerWaalsContact O-N 3.14Å; T38-R40 PolarHBondContact OG1-N 3.1Å
39G92.2Very high96.1Very high40 Ų4044.1 Ų44.141%0.41222%0.216SC..SBendtrans72.7-6.3-175.600000114.8K6 H36 K37K6-G39 WeakPolarHBondContact CE-O 3.5Å; H36-G39 PolarHBondContact O-N 3.29Å; K37-G39 PolarHBondContact O-N 3.06Å
40R92.4Very high96.2Very high135 Ų13541.5 Ų41.551%0.50920%0.204SC..SBendtrans-93.1-24.5-176-62.1-174.7-65134.4-3.5113.8K6 T7 T38K6-R40 WeakPolarHBondContact CA-O 3.46Å; T7-R40 PolarHBondContact N-O 2.86Å; T38-R40 PolarHBondContact O-N 3.31Å; T38-R40 VanDerWaalsContact O-N 3.14Å; T38-R40 PolarHBondContact OG1-N 3.1Å
41F95.3Very high96.4Very high11 Ų1140 Ų405%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-123.2148.7-170.6-60-75.1000112.6T7 V9 L35 M255T7-F41 HydrophobicContact CG2-CD1 4.25Å; T7-F41 HydrophobicContact CG2-CE1 4.28Å; T7-F41 CarbonylContact O-C 3.58Å; T7-F41 VanDerWaalsContact O-CA 3.24Å; T7-F41 WeakPolarHBondContact O-CA 3.38Å; V9-F41 HydrophobicContact CG1-CD1 3.62Å; V9-F41 HydrophobicContact CG1-CE1 4.24Å; V9-F41 HydrophobicContact CG1-CG 4.44Å; V9-F41 HydrophobicContact CG2-CB 4.4Å; L35-F41 HydrophobicContact CB-CB 4.09Å; L35-F41 HydrophobicContact CB-CD2 4.44Å; L35-F41 HydrophobicContact CD2-CD2 3.63Å; L35-F41 HydrophobicContact CD2-CE2 4.01Å; L35-F41 HydrophobicContact CD2-CG 4.19Å; F41-M255 HydrophobicContact CD2-SD 4.36Å; F41-M255 HydrophobicContact CE2-SD 3.49Å; F41-M255 WeakPolarHBondContact CE2-SD 3.31Å; F41-M255 HydrophobicContact CZ-CE 4.27Å; F41-M255 HydrophobicContact CZ-SD 3.73Å
42I95.7Very high96.5Very high55 Ų5541 Ų4128%0.28220%0.204SC..EExtended strand (participates in β ladder)trans-119.6104.5165.7-59.3172.7000107.5K6 T7 H8 V9 I44K6-I42 HydrophobicContact CB-CD1 3.89Å; K6-I42 HydrophobicContact CB-CG1 3.89Å; K6-I42 HydrophobicContact CD-CD1 3.87Å; K6-I42 HydrophobicContact CD-CG1 3.74Å; K6-I42 HydrophobicContact CG-CD1 4.5Å; K6-I42 HydrophobicContact CG-CG1 4.48Å; T7-I42 PolarHBondContact O-N 2.91Å; H8-I42 CarbonylContact C-O 3.54Å; H8-I42 VanDerWaalsContact CA-O 3.31Å; H8-I42 WeakPolarHBondContact CA-O 3.41Å; V9-I42 PolarHBondContact N-O 3.01Å; I42-I44 HydrophobicContact CG2-CG2 3.86Å; I42-I44 PolarHBondContact O-N 3.44Å
43V97.3Very high96.4Very high13 Ų1341.2 Ų41.28%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-69.7119169-171.50000109.6V9 L11 R32 L35 H36 W79V9-V43 HydrophobicContact CG2-CB 4.13Å; V9-V43 HydrophobicContact CG2-CG1 4.48Å; V9-V43 HydrophobicContact CG2-CG2 3.67Å; V9-V43 WeakPolarHBondContact O-CA 3.43Å; L11-V43 HydrophobicContact CD1-CG1 4.02Å; L11-V43 HydrophobicContact CD1-CG2 4.48Å; L11-V43 HydrophobicContact CG-CG1 3.99Å; R32-V43 HydrophobicContact CB-CB 4.45Å; R32-V43 HydrophobicContact CB-CG1 4.48Å; R32-V43 HydrophobicContact CB-CG2 4.27Å; R32-V43 HydrophobicContact CG-CB 3.94Å; R32-V43 HydrophobicContact CG-CG1 4.3Å; R32-V43 HydrophobicContact CG-CG2 4.1Å; L35-V43 HydrophobicContact CB-CG2 3.91Å; L35-V43 HydrophobicContact CD1-CG2 3.75Å; H36-V43 PolarHBondContact CD2-N 3.4Å; H36-V43 PolarHBondContact NE2-N 3.06Å; H36-V43 PolarHBondContact NE2-O 2.99Å; V43-W79 HydrophobicContact CG1-CE3 4.09Å; V43-W79 HydrophobicContact CG1-CH2 4.47Å; V43-W79 HydrophobicContact CG1-CZ3 3.62Å
44I95.9Very high96.5Very high87 Ų8741.2 Ų41.245%0.44622%0.215SC..EExtended strand (participates in β ladder)trans-109.1-8.5-179.261168.4000113.6H8 V9 I10 I42 L193H8-I44 HydrophobicContact CB-CD1 4.36Å; H8-I44 HydrophobicContact CB-CG2 4.43Å; V9-I44 PolarHBondContact O-N 3.41Å; I10-I44 HydrophobicContact CG1-CD1 4.4Å; I10-I44 HydrophobicContact CG1-CG1 3.97Å; I42-I44 HydrophobicContact CG2-CG2 3.86Å; I42-I44 PolarHBondContact O-N 3.44Å; I44-L193 HydrophobicContact CD1-CD1 3.55Å; I44-L193 HydrophobicContact CG1-CD1 4.25Å
45G97.9Very high96.4Very high10 Ų1043.7 Ų43.710%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-169.5156.5178.900000113.4I10 L11 W79I10-G45 WeakPolarHBondContact CA-O 3.41Å; L11-G45 PolarHBondContact N-O 2.84Å; G45-W79 WeakPolarHBondContact CA-O 3.37Å
46G98.6Very high95.8Very high2 Ų246.6 Ų46.62%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-125.8138.2170.700000110.5L11 W79 I80 R81L11-G46 CarbonylContact O-C 3.56Å; L11-G46 VanDerWaalsContact O-CA 3.3Å; L11-G46 WeakPolarHBondContact O-CA 3.37Å; G46-W79 PolarHBondContact N-O 2.87Å; G46-I80 CarbonylContact O-C 3.59Å; G46-I80 WeakPolarHBondContact O-CA 3.22Å; G46-R81 PolarHBondContact O-N 3.31Å
47I98.9Very high95.6Very high26 Ų2647.5 Ų47.513%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-123.5121.9178.4-58174.9000108.8I10 L11 L12 A13 F28 R81 D83I10-I47 HydrophobicContact CG2-CD1 3.73Å; I10-I47 HydrophobicContact CG2-CG1 3.86Å; L11-I47 PolarHBondContact O-N 3.29Å; L12-I47 WeakPolarHBondContact CA-O 3.41Å; L12-I47 HydrophobicContact CD1-CB 3.59Å; L12-I47 HydrophobicContact CD1-CG2 3.43Å; L12-I47 VanDerWaalsContact CD1-CG2 3.43Å; A13-I47 PolarHBondContact N-O 2.79Å; F28-I47 WeakPolarHBondContact CZ-O 3.36Å; I47-R81 WeakPolarHBondContact CA-O 3.4Å; I47-D83 HydrophobicContact CG2-CB 3.71Å
48V98.9Very high95.5Very high1 Ų149.3 Ų49.31%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-91.8117.8165.51760000107.5F17 I20 F28 P50 C70 V74 I80 R81 V82 D83F17-V48 HydrophobicContact CD1-CG1 4.27Å; F17-V48 HydrophobicContact CD2-CG1 3.95Å; F17-V48 HydrophobicContact CE1-CG1 3.98Å; F17-V48 HydrophobicContact CE2-CG1 3.65Å; F17-V48 HydrophobicContact CG-CG1 4.26Å; F17-V48 HydrophobicContact CZ-CG1 3.68Å; I20-V48 HydrophobicContact CD1-CG1 4.35Å; F28-V48 HydrophobicContact CE2-CG2 3.74Å; F28-V48 HydrophobicContact CZ-CG2 3.91Å; V48-P50 HydrophobicContact CG1-CG 4.33Å; V48-P50 WeakPolarHBondContact O-CD 3.33Å; V48-C70 HydrophobicContact CG1-CB 4.21Å; V48-V74 HydrophobicContact CG2-CG1 4.43Å; V48-I80 HydrophobicContact CG2-CG2 3.93Å; V48-R81 PolarHBondContact N-O 3.39Å; V48-V82 HydrophobicContact CB-CG2 4.32Å; V48-V82 WeakPolarHBondContact O-CA 3.5Å; V48-D83 PolarHBondContact O-N 3.15Å
49S98.8Very high95.6Very high0 Ų050.2 Ų50.20%029%0.286CS..EExtended strand (participates in β ladder)trans-112.797.4176.4-177.40000110.6A13 C14 G15 F17 E86A13-S49 PolarHBondContact O-N 2.88Å; C14-S49 WeakPolarHBondContact CA-O 3.44Å; G15-S49 PolarHBondContact N-O 2.87Å; F17-S49 WeakPolarHBondContact CE2-O 3.33Å; S49-E86 PolarHBondContact OG-OE2 3.49Å
50P98.7Very high95.8Very high0 Ų049.9 Ų49.90%028%0.275CS..EExtended strand (participates in β ladder)trans-69138.8176.2-21.636.5000112.8G15 F17 V48 L67 C70 V82 C87G15-P50 WeakPolarHBondContact O-CA 3.22Å; F17-P50 HydrophobicContact CD2-CB 4.07Å; F17-P50 HydrophobicContact CD2-CG 4.05Å; V48-P50 HydrophobicContact CG1-CG 4.33Å; V48-P50 WeakPolarHBondContact O-CD 3.33Å; P50-L67 HydrophobicContact CB-CD2 4.44Å; P50-L67 HydrophobicContact CG-CD2 3.91Å; P50-C70 HydrophobicContact CG-CB 4.41Å; P50-V82 HydrophobicContact CG-CG1 4.17Å; P50-C87 PolarHBondContact O-SG 2.84Å
51V98.4Very high96Very high8 Ų846.3 Ų46.35%0.04827%0.268CS..PPolyproline II helixtrans-64.4150.1-175.780.50000112.2G15 Y55 L60 R66 E86 C87G15-V51 PolarHBondContact O-N 2.99Å; V51-Y55 HydrophobicContact CG1-CD1 4.02Å; V51-Y55 HydrophobicContact CG1-CG 4.17Å; V51-Y55 HydrophobicContact CG2-CD1 4.1Å; V51-Y55 HydrophobicContact CG2-CD2 3.87Å; V51-Y55 HydrophobicContact CG2-CG 3.61Å; V51-L60 HydrophobicContact CG1-CD1 4.35Å; V51-L60 HydrophobicContact CG1-CD2 4.05Å; V51-R66 VanDerWaalsContact O-CZ 3.26Å; V51-R66 PolarHBondContact O-NH1 3.13Å; V51-R66 PolarHBondContact O-NH2 3.43Å; V51-E86 WeakPolarHBondContact CA-OE1 3.21Å; V51-E86 WeakPolarHBondContact CG2-OE1 3.47Å; V51-C87 PolarHBondContact O-SG 2.75Å; V51-C87 VanDerWaalsContact O-SG 3.42Å
52H98.4Very high96.1Very high21 Ų2148 Ų4810%0.09728%0.282CS..PPolyproline II helixtrans-61.5152.8171.8-170.8-97.1000113.2S54 Y55 E86 Q89 W92H52-S54 VanDerWaalsContact C-N 3.31Å; H52-S54 PolarHBondContact CE1-OG 3.29Å; H52-S54 WeakPolarHBondContact ND1-CB 3.11Å; H52-S54 PolarHBondContact ND1-N 2.85Å; H52-S54 PolarHBondContact ND1-OG 2.9Å; H52-S54 PolarHBondContact O-N 2.9Å; H52-Y55 VanDerWaalsContact O-CB 3.24Å; H52-Y55 WeakPolarHBondContact O-CB 3.37Å; H52-Y55 PolarHBondContact O-N 3.34Å; H52-Y55 VanDerWaalsContact O-N 3.14Å; H52-E86 PolarHBondContact N-OE1 3.41Å; H52-Q89 PolarHBondContact CD2-O 2.95Å; H52-Q89 VanDerWaalsContact CD2-O 3.28Å; H52-Q89 PolarHBondContact NE2-O 3.25Å; H52-W92 HydrophobicContact CB-CB 4.36Å
53D97.5Very high96.2Very high60 Ų6046.2 Ų46.232%0.32127%0.274SS..G310 helixtrans-66.1-30.9-177.7-75.9-21.8000113.4Y55 S63 R66D53-Y55 PolarHBondContact O-N 3.14Å; D53-Y55 VanDerWaalsContact O-N 3.13Å; D53-S63 WeakPolarHBondContact OD1-CA 3.38Å; D53-S63 WeakPolarHBondContact OD1-CB 3.21Å; D53-S63 PolarHBondContact OD1-N 3.38Å; D53-S63 WeakPolarHBondContact OD2-CB 3.49Å; D53-S63 PolarHBondContact OD2-N 2.94Å; D53-S63 PolarHBondContact OD2-OG 2.95Å; D53-R66 IonicContact OD1-CZ 3.87Å; D53-R66 IonicContact OD1-NH2 2.82Å; D53-R66 PolarHBondContact OD1-NH2 3.01Å
54S97.1Very high96.2Very high79 Ų7953.1 Ų53.155%0.55230%0.299SS*.G310 helixtrans-72.14.2174.4-49.70000114.5H52 G56H52-S54 VanDerWaalsContact C-N 3.31Å; H52-S54 PolarHBondContact CE1-OG 3.29Å; H52-S54 WeakPolarHBondContact ND1-CB 3.11Å; H52-S54 PolarHBondContact ND1-N 2.85Å; H52-S54 PolarHBondContact ND1-OG 2.9Å; H52-S54 PolarHBondContact O-N 2.9Å; S54-G56 PolarHBondContact O-N 2.97Å; S54-G56 VanDerWaalsContact O-N 3.12Å
55Y94.1Very high96.3Very high109 Ų10953 Ų5343%0.42730%0.296SS..G310 helixtrans-58.1-22.6173.4-179.7-122.7000112.8V51 H52 D53 K57 W92V51-Y55 HydrophobicContact CG1-CD1 4.02Å; V51-Y55 HydrophobicContact CG1-CG 4.17Å; V51-Y55 HydrophobicContact CG2-CD1 4.1Å; V51-Y55 HydrophobicContact CG2-CD2 3.87Å; V51-Y55 HydrophobicContact CG2-CG 3.61Å; H52-Y55 VanDerWaalsContact O-CB 3.24Å; H52-Y55 WeakPolarHBondContact O-CB 3.37Å; H52-Y55 PolarHBondContact O-N 3.34Å; H52-Y55 VanDerWaalsContact O-N 3.14Å; D53-Y55 PolarHBondContact O-N 3.14Å; D53-Y55 VanDerWaalsContact O-N 3.13Å; Y55-K57 VanDerWaalsContact C-N 3.3Å; Y55-K57 HydrophobicContact CD1-CB 3.65Å; Y55-K57 HydrophobicContact CE1-CB 3.86Å; Y55-K57 HydrophobicContact CE1-CD 4.35Å; Y55-K57 PolarHBondContact O-N 3.2Å; Y55-W92 AromaticContact CD2-CD1 3.67Å; Y55-W92 HydrophobicContact CD2-CD2 4.38Å; Y55-W92 AromaticContact CD2-CE2 3.8Å; Y55-W92 HydrophobicContact CD2-CG 4.29Å; Y55-W92 HydrophobicContact CD2-CZ2 4.4Å; Y55-W92 AromaticContact CD2-NE1 3.33Å; Y55-W92 VanDerWaalsContact CD2-NE1 3.33Å; Y55-W92 HydrophobicContact CE2-CZ2 4.38Å; Y55-W92 AromaticContact CE2-NE1 3.97Å
56G84.4Confident96.3Very high61 Ų6152.5 Ų52.563%0.62929%0.291SS*.  trans76.714170.400000114.6S54 Q58S54-G56 PolarHBondContact O-N 2.97Å; S54-G56 VanDerWaalsContact O-N 3.12Å; G56-Q58 PolarHBondContact O-N 3.23Å
57K90.6Very high96.3Very high94 Ų9452.9 Ų52.941%0.40929%0.292SS..  trans-67.5127.7171.8178.3174.8-178.4171.10110.3S16 Y55 G59 L60S16-K57 WeakPolarHBondContact OG-CD 3.43Å; S16-K57 PolarHBondContact OG-NZ 2.89Å; Y55-K57 VanDerWaalsContact C-N 3.3Å; Y55-K57 HydrophobicContact CD1-CB 3.65Å; Y55-K57 HydrophobicContact CE1-CB 3.86Å; Y55-K57 HydrophobicContact CE1-CD 4.35Å; Y55-K57 PolarHBondContact O-N 3.2Å; K57-G59 PolarHBondContact O-N 2.81Å; K57-L60 HydrophobicContact CB-CB 4.24Å; K57-L60 WeakPolarHBondContact O-CB 3.3Å; K57-L60 PolarHBondContact O-N 3.5Å; K57-L60 VanDerWaalsContact O-N 3.11Å
58Q92.6Very high96.3Very high178 Ų17855.5 Ų55.583%0.83231%0.306SS*.THydrogen-bonded Turntrans-57.2132.5175.7-70.2-63.4-30.300111.3G56 L60G56-Q58 PolarHBondContact O-N 3.23Å; Q58-L60 VanDerWaalsContact C-N 3.27Å; Q58-L60 PolarHBondContact O-N 2.93Å
59G94.1Very high96.3Very high64 Ų6458.5 Ų58.566%0.6632%0.321SS*.THydrogen-bonded Turntrans70.115.9-178.100000115.2N18 K57 V61N18-G59 PolarHBondContact ND2-O 2.98Å; K57-G59 PolarHBondContact O-N 2.81Å; G59-V61 PolarHBondContact O-N 3.46Å
60L95.9Very high96.3Very high33 Ų3358.5 Ų58.517%0.17332%0.321CS..PPolyproline II helixtrans-66.8116.7174.6-172.664.7000110.2N18 V51 K57 Q58N18-L60 HydrophobicContact CB-CD1 4.07Å; V51-L60 HydrophobicContact CG1-CD1 4.35Å; V51-L60 HydrophobicContact CG1-CD2 4.05Å; K57-L60 HydrophobicContact CB-CB 4.24Å; K57-L60 WeakPolarHBondContact O-CB 3.3Å; K57-L60 PolarHBondContact O-N 3.5Å; K57-L60 VanDerWaalsContact O-N 3.11Å; Q58-L60 VanDerWaalsContact C-N 3.27Å; Q58-L60 PolarHBondContact O-N 2.93Å
61V96.3Very high96.3Very high60 Ų6063.4 Ų63.436%0.36434%0.343SS..PPolyproline II helixtrans-71150.9173.7-179.70000109.2N18 G59 S63 H65 R66N18-V61 WeakPolarHBondContact OD1-CB 3.37Å; N18-V61 WeakPolarHBondContact OD1-CG2 3.23Å; N18-V61 PolarHBondContact OD1-N 3.37Å; G59-V61 PolarHBondContact O-N 3.46Å; V61-S63 PolarHBondContact O-N 3.48Å; V61-H65 HydrophobicContact CG1-CB 3.83Å; V61-R66 HydrophobicContact CB-CG 4.45Å; V61-R66 VanDerWaalsContact O-CD 3.31Å; V61-R66 WeakPolarHBondContact O-CD 3.5Å; V61-R66 PolarHBondContact O-NE 3.45Å
62S97.8Very high96.3Very high48 Ų4867.7 Ų67.734%0.33637%0.366SS..PPolyproline II helixtrans-46.5136.7175.2170.80000113.3R64 H65 R66S62-R64 PolarHBondContact O-N 2.82Å; S62-R64 VanDerWaalsContact O-N 3.16Å; S62-R64 PolarHBondContact OG-N 2.97Å; S62-H65 PolarHBondContact O-N 3.07Å; S62-R66 PolarHBondContact O-N 2.99Å
63S97.6Very high96.3Very high17 Ų1768.8 Ų68.812%0.11938%0.379CS..Hα-helixtrans-47.8-39.2174.252.70000112D53 V61 H65 R66 L67 C87D53-S63 WeakPolarHBondContact OD1-CA 3.38Å; D53-S63 WeakPolarHBondContact OD1-CB 3.21Å; D53-S63 PolarHBondContact OD1-N 3.38Å; D53-S63 WeakPolarHBondContact OD2-CB 3.49Å; D53-S63 PolarHBondContact OD2-N 2.94Å; D53-S63 PolarHBondContact OD2-OG 2.95Å; V61-S63 PolarHBondContact O-N 3.48Å; S63-H65 PolarHBondContact O-N 2.98Å; S63-R66 VanDerWaalsContact CA-NH2 3.3Å; S63-R66 PolarHBondContact O-N 3.31Å; S63-L67 WeakPolarHBondContact O-CB 3.45Å; S63-L67 VanDerWaalsContact O-CG 3.25Å; S63-L67 WeakPolarHBondContact O-CG 3.36Å; S63-L67 PolarHBondContact O-N 2.86Å; S63-C87 VanDerWaalsContact CB-SG 3.57Å
64R97.8Very high96.3Very high158 Ų15866.5 Ų66.560%0.59637%0.367SS*.Hα-helixtrans-54.1-48.6175.7-171.9-178.770.4130.13.9112.3S62 I68S62-R64 PolarHBondContact O-N 2.82Å; S62-R64 VanDerWaalsContact O-N 3.16Å; S62-R64 PolarHBondContact OG-N 2.97Å; R64-I68 HydrophobicContact CG-CD1 4.41Å; R64-I68 WeakPolarHBondContact O-CD1 3.48Å; R64-I68 VanDerWaalsContact O-CG1 3.31Å; R64-I68 WeakPolarHBondContact O-CG1 3.45Å; R64-I68 PolarHBondContact O-N 2.85Å
65H98.3Very high96.3Very high83 Ų8368.9 Ų68.938%0.38437%0.369SS..Hα-helixtrans-70.9-40.1179.2-61.8149.2000111.4V61 S62 S63 I68 M69V61-H65 HydrophobicContact CG1-CB 3.83Å; S62-H65 PolarHBondContact O-N 3.07Å; S63-H65 PolarHBondContact O-N 2.98Å; H65-I68 PolarHBondContact O-N 2.83Å; H65-M69 HydrophobicContact CB-CE 4.49Å; H65-M69 WeakPolarHBondContact O-CG 3.35Å; H65-M69 PolarHBondContact O-N 3.37Å
66R98.4Very high96.4Very high0 Ų071 Ų710%039%0.388CS..Hα-helixtrans-64.1-42.6179.9-63.7-174.9-69106.50111.7S16 V51 D53 V61 S62 S63 I68 M69 C70S16-R66 VanDerWaalsContact O-CD 3.24Å; S16-R66 WeakPolarHBondContact O-CD 3.38Å; S16-R66 PolarHBondContact O-NH1 3.14Å; V51-R66 VanDerWaalsContact O-CZ 3.26Å; V51-R66 PolarHBondContact O-NH1 3.13Å; V51-R66 PolarHBondContact O-NH2 3.43Å; D53-R66 IonicContact OD1-CZ 3.87Å; D53-R66 IonicContact OD1-NH2 2.82Å; D53-R66 PolarHBondContact OD1-NH2 3.01Å; V61-R66 HydrophobicContact CB-CG 4.45Å; V61-R66 VanDerWaalsContact O-CD 3.31Å; V61-R66 WeakPolarHBondContact O-CD 3.5Å; V61-R66 PolarHBondContact O-NE 3.45Å; S62-R66 PolarHBondContact O-N 2.99Å; S63-R66 VanDerWaalsContact CA-NH2 3.3Å; S63-R66 PolarHBondContact O-N 3.31Å; R66-I68 PolarHBondContact O-N 3.31Å; R66-M69 HydrophobicContact CG-CE 4.13Å; R66-M69 PolarHBondContact O-N 2.93Å; R66-C70 WeakPolarHBondContact O-CB 3.42Å; R66-C70 PolarHBondContact O-N 3.49Å; R66-C70 PolarHBondContact O-SG 3.29Å
67L98.5Very high97Very high10 Ų1069.1 Ų69.15%0.05237%0.365CS..Hα-helixtrans-58-47.9174.3-75168.8000111.7P50 S63 C70 Q71 V82 P84 C87 Y88P50-L67 HydrophobicContact CB-CD2 4.44Å; P50-L67 HydrophobicContact CG-CD2 3.91Å; S63-L67 WeakPolarHBondContact O-CB 3.45Å; S63-L67 VanDerWaalsContact O-CG 3.25Å; S63-L67 WeakPolarHBondContact O-CG 3.36Å; S63-L67 PolarHBondContact O-N 2.86Å; L67-C70 PolarHBondContact O-N 2.67Å; L67-Q71 WeakPolarHBondContact O-CB 3.31Å; L67-Q71 VanDerWaalsContact O-CG 3.26Å; L67-Q71 WeakPolarHBondContact O-CG 3.35Å; L67-Q71 PolarHBondContact O-N 3.5Å; L67-V82 HydrophobicContact CD2-CG1 3.88Å; L67-P84 HydrophobicContact CD1-CB 4.06Å; L67-P84 HydrophobicContact CD2-CB 3.84Å; L67-C87 HydrophobicContact CD1-CB 3.93Å; L67-C87 HydrophobicContact CG-CB 4.5Å; L67-Y88 HydrophobicContact CD1-CE1 4.2Å
68I98.6Very high97.3Very high82 Ų8270.7 Ų70.742%0.42138%0.378SS..Hα-helixtrans-62.6-45.7178.3-66165.2000110.7R64 H65 R66 C70 Q71 L72R64-I68 HydrophobicContact CG-CD1 4.41Å; R64-I68 WeakPolarHBondContact O-CD1 3.48Å; R64-I68 VanDerWaalsContact O-CG1 3.31Å; R64-I68 WeakPolarHBondContact O-CG1 3.45Å; R64-I68 PolarHBondContact O-N 2.85Å; H65-I68 PolarHBondContact O-N 2.83Å; R66-I68 PolarHBondContact O-N 3.31Å; I68-C70 VanDerWaalsContact C-N 3.34Å; I68-C70 PolarHBondContact O-N 2.92Å; I68-Q71 PolarHBondContact O-N 3.49Å; I68-L72 HydrophobicContact CG2-CD1 4.03Å; I68-L72 HydrophobicContact CG2-CG 4.47Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 2.93Å
69M98.6Very high97.6Very high64 Ų6463.3 Ų63.332%0.31534%0.343SS..Hα-helixtrans-61.2-42.6176.9-71.6-173.2-67.200111.9P19 I20 H65 R66 L72 A73P19-M69 HydrophobicContact CB-CE 3.87Å; P19-M69 HydrophobicContact CB-SD 3.66Å; I20-M69 HydrophobicContact CG2-CB 4.27Å; H65-M69 HydrophobicContact CB-CE 4.49Å; H65-M69 WeakPolarHBondContact O-CG 3.35Å; H65-M69 PolarHBondContact O-N 3.37Å; R66-M69 HydrophobicContact CG-CE 4.13Å; R66-M69 PolarHBondContact O-N 2.93Å; M69-L72 PolarHBondContact O-N 3.5Å; M69-A73 WeakPolarHBondContact O-CB 3.34Å; M69-A73 PolarHBondContact O-N 2.97Å
70C98.6Very high97.8Very high0 Ų060.3 Ų60.30%031%0.311CS..Hα-helixtrans-61.7-44.8174.9-70.20000111.6F17 I20 V48 P50 R66 L67 I68 L72 A73 V74 V82F17-C70 VanDerWaalsContact CB-SG 3.55Å; I20-C70 HydrophobicContact CD1-CB 4.29Å; V48-C70 HydrophobicContact CG1-CB 4.21Å; P50-C70 HydrophobicContact CG-CB 4.41Å; R66-C70 WeakPolarHBondContact O-CB 3.42Å; R66-C70 PolarHBondContact O-N 3.49Å; R66-C70 PolarHBondContact O-SG 3.29Å; L67-C70 PolarHBondContact O-N 2.67Å; I68-C70 VanDerWaalsContact C-N 3.34Å; I68-C70 PolarHBondContact O-N 2.92Å; C70-L72 PolarHBondContact O-N 2.96Å; C70-A73 PolarHBondContact O-N 3.3Å; C70-V74 WeakPolarHBondContact O-CG2 3.49Å; C70-V74 PolarHBondContact O-N 2.81Å; C70-V74 VanDerWaalsContact O-N 3.13Å; C70-V82 HydrophobicContact CB-CB 4.5Å; C70-V82 HydrophobicContact CB-CG1 4.02Å; C70-V82 HydrophobicContact CB-CG2 3.6Å
71Q98.5Very high97.9Very high102 Ų10265.1 Ų65.148%0.47733%0.327SS..Hα-helixtrans-61.6-45.5179.1-75.1169.5-7.400111.2L67 I68 A73 V74 Q75 V82L67-Q71 WeakPolarHBondContact O-CB 3.31Å; L67-Q71 VanDerWaalsContact O-CG 3.26Å; L67-Q71 WeakPolarHBondContact O-CG 3.35Å; L67-Q71 PolarHBondContact O-N 3.5Å; I68-Q71 PolarHBondContact O-N 3.49Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 2.92Å; Q71-V74 PolarHBondContact O-N 3.4Å; Q71-Q75 PolarHBondContact O-N 3.01Å; Q71-V82 HydrophobicContact CG-CB 4.1Å; Q71-V82 HydrophobicContact CG-CG2 4.04Å
72L98.5Very high98Very high98 Ų9863.4 Ų63.451%0.51332%0.317SS..Hα-helixtrans-63.8-35.8175.7-69.6172.1000112.5I68 M69 C70 V74 Q75I68-L72 HydrophobicContact CG2-CD1 4.03Å; I68-L72 HydrophobicContact CG2-CG 4.47Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 2.93Å; M69-L72 PolarHBondContact O-N 3.5Å; C70-L72 PolarHBondContact O-N 2.96Å; L72-V74 VanDerWaalsContact C-N 3.31Å; L72-V74 PolarHBondContact O-N 3.24Å; L72-Q75 VanDerWaalsContact O-CG 3.26Å; L72-Q75 WeakPolarHBondContact O-CG 3.25Å; L72-Q75 PolarHBondContact O-NE2 2.75Å
73A98.1Very high98.1Very high45 Ų4563 Ų6337%0.37231%0.311SS..Hα-helixtrans-68.1-29.4178.500000113.1I20 I25 M69 C70 Q71I20-A73 HydrophobicContact CD1-CB 4.02Å; I20-A73 HydrophobicContact CG1-CB 4.33Å; I20-A73 HydrophobicContact CG2-CB 3.59Å; I25-A73 HydrophobicContact CD1-CB 4.43Å; M69-A73 WeakPolarHBondContact O-CB 3.34Å; M69-A73 PolarHBondContact O-N 2.97Å; C70-A73 PolarHBondContact O-N 3.3Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 2.92Å
74V97.9Very high98.1Very high11 Ų1163.9 Ų63.97%0.06732%0.316CS..Hα-helixtrans-105.55.1179.6-52.50000113.8I25 V48 C70 Q71 L72 N76 S77 I80 V82I25-V74 HydrophobicContact CD1-CG1 3.77Å; V48-V74 HydrophobicContact CG2-CG1 4.43Å; C70-V74 WeakPolarHBondContact O-CG2 3.49Å; C70-V74 PolarHBondContact O-N 2.81Å; C70-V74 VanDerWaalsContact O-N 3.13Å; Q71-V74 PolarHBondContact O-N 3.4Å; L72-V74 VanDerWaalsContact C-N 3.31Å; L72-V74 PolarHBondContact O-N 3.24Å; V74-N76 PolarHBondContact O-N 2.95Å; V74-N76 VanDerWaalsContact O-N 3.07Å; V74-S77 VanDerWaalsContact O-CB 3.31Å; V74-S77 WeakPolarHBondContact O-CB 3.33Å; V74-S77 PolarHBondContact O-N 3.49Å; V74-I80 HydrophobicContact CB-CB 4.45Å; V74-I80 HydrophobicContact CB-CG2 4.36Å; V74-I80 HydrophobicContact CG1-CB 4.3Å; V74-I80 HydrophobicContact CG1-CG2 3.79Å; V74-V82 HydrophobicContact CG2-CG2 3.75Å
75Q97.3Very high98.2Very high129 Ų12958.8 Ų58.860%0.60330%0.297SS*.THydrogen-bonded Turntrans-56.9-30.4-17372.2-172.1-48.700114.2Q71 L72Q71-Q75 PolarHBondContact O-N 3.01Å; L72-Q75 VanDerWaalsContact O-CG 3.26Å; L72-Q75 WeakPolarHBondContact O-CG 3.25Å; L72-Q75 PolarHBondContact O-NE2 2.75Å
76N95.9Very high98.2Very high153 Ų15355.1 Ų55.182%0.81828%0.28SS*.THydrogen-bonded Turntrans-994.6179-64.8-26.9000112.9V74V74-N76 PolarHBondContact O-N 2.95Å; V74-N76 VanDerWaalsContact O-N 3.07Å
77S97.4Very high98.1Very high23 Ų2355.5 Ų55.516%0.16128%0.283CS..  trans-84.9129.2175.3-176.60000109.7V74 W79 I80 R81V74-S77 VanDerWaalsContact O-CB 3.31Å; V74-S77 WeakPolarHBondContact O-CB 3.33Å; V74-S77 PolarHBondContact O-N 3.49Å; S77-W79 VanDerWaalsContact C-N 3.34Å; S77-W79 PolarHBondContact OG-N 2.93Å; S77-I80 WeakPolarHBondContact OG-CB 3.4Å; S77-I80 WeakPolarHBondContact OG-CG1 3.4Å; S77-I80 PolarHBondContact OG-N 3.28Å; S77-R81 PolarHBondContact O-NH1 2.64Å
78D97.4Very high98.1Very high127 Ų12763 Ų6368%0.67931%0.312SS*.SBendtrans-77.6-20.5174.859.3-11.6000112.8R81D78-R81 PolarHBondContact O-NH1 3.15Å; D78-R81 PolarHBondContact O-NH2 3.17Å
79W98.3Very high98.1Very high23 Ų2361.8 Ų61.89%0.08730%0.304CS..SBendtrans-123.3-16.5-169.775.6-77.1000115.6L11 F28 E29 R32 V43 G45 G46 S77L11-W79 HydrophobicContact CD1-CH2 4.21Å; L11-W79 HydrophobicContact CD1-CZ3 4.25Å; F28-W79 HydrophobicContact CB-CH2 3.68Å; F28-W79 HydrophobicContact CB-CZ2 3.78Å; F28-W79 AromaticContact CD1-CH2 3.88Å; F28-W79 HydrophobicContact CD1-CH2 3.88Å; F28-W79 HydrophobicContact CD1-CZ3 4.2Å; F28-W79 HydrophobicContact CG-CH2 4.27Å; F28-W79 WeakPolarHBondContact O-CH2 3.3Å; E29-W79 PolarHBondContact OE1-NE1 3.18Å; R32-W79 HydrophobicContact CB-CH2 3.68Å; R32-W79 HydrophobicContact CB-CZ2 3.96Å; R32-W79 HydrophobicContact CB-CZ3 4.33Å; R32-W79 HydrophobicContact CG-CH2 4.34Å; R32-W79 HydrophobicContact CG-CZ2 4.47Å; R32-W79 VanDerWaalsContact CZ-CE2 3.46Å; R32-W79 VanDerWaalsContact NH1-CG 3.34Å; V43-W79 HydrophobicContact CG1-CE3 4.09Å; V43-W79 HydrophobicContact CG1-CH2 4.47Å; V43-W79 HydrophobicContact CG1-CZ3 3.62Å; G45-W79 WeakPolarHBondContact CA-O 3.37Å; G46-W79 PolarHBondContact N-O 2.87Å; S77-W79 VanDerWaalsContact C-N 3.34Å; S77-W79 PolarHBondContact OG-N 2.93Å
80I98.6Very high98Very high0 Ų066.3 Ų66.30%033%0.329CS..EExtended strand (participates in β ladder)trans-100.6133.8177.9-50.9169.5000109.6I25 F28 G46 V48 V74 S77I25-I80 HydrophobicContact CG2-CD1 4.46Å; F28-I80 HydrophobicContact CB-CD1 3.55Å; F28-I80 HydrophobicContact CB-CG1 4.36Å; F28-I80 HydrophobicContact CD1-CD1 4.31Å; F28-I80 HydrophobicContact CD1-CG1 4.32Å; F28-I80 HydrophobicContact CD2-CD1 4.4Å; F28-I80 HydrophobicContact CE1-CG2 4.48Å; F28-I80 HydrophobicContact CG-CD1 3.86Å; F28-I80 HydrophobicContact CG-CG1 4.37Å; G46-I80 CarbonylContact O-C 3.59Å; G46-I80 WeakPolarHBondContact O-CA 3.22Å; V48-I80 HydrophobicContact CG2-CG2 3.93Å; V74-I80 HydrophobicContact CB-CB 4.45Å; V74-I80 HydrophobicContact CB-CG2 4.36Å; V74-I80 HydrophobicContact CG1-CB 4.3Å; V74-I80 HydrophobicContact CG1-CG2 3.79Å; S77-I80 WeakPolarHBondContact OG-CB 3.4Å; S77-I80 WeakPolarHBondContact OG-CG1 3.4Å; S77-I80 PolarHBondContact OG-N 3.28Å
81R98.3Very high98Very high135 Ų13570.4 Ų70.451%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-128.5161175.3-60-65.4178.3-88.2-4110.7G46 I47 V48 S77 D78G46-R81 PolarHBondContact O-N 3.31Å; I47-R81 WeakPolarHBondContact CA-O 3.4Å; V48-R81 PolarHBondContact N-O 3.39Å; S77-R81 PolarHBondContact O-NH1 2.64Å; D78-R81 PolarHBondContact O-NH1 3.15Å; D78-R81 PolarHBondContact O-NH2 3.17Å
82V98.8Very high97.9Very high24 Ų2470.6 Ų70.615%0.14535%0.351CS..EExtended strand (participates in β ladder)trans-100.8130.5170.4-174.80000108V48 P50 L67 C70 Q71 V74V48-V82 HydrophobicContact CB-CG2 4.32Å; V48-V82 WeakPolarHBondContact O-CA 3.5Å; P50-V82 HydrophobicContact CG-CG1 4.17Å; L67-V82 HydrophobicContact CD2-CG1 3.88Å; C70-V82 HydrophobicContact CB-CB 4.5Å; C70-V82 HydrophobicContact CB-CG1 4.02Å; C70-V82 HydrophobicContact CB-CG2 3.6Å; Q71-V82 HydrophobicContact CG-CB 4.1Å; Q71-V82 HydrophobicContact CG-CG2 4.04Å; V74-V82 HydrophobicContact CG2-CG2 3.75Å
83D98.6Very high97.9Very high38 Ų3867.9 Ų67.920%0.20334%0.336CS..  trans-108.1123.7170.6-162.7-56.7000109.9I47 V48 W85 H102I47-D83 HydrophobicContact CG2-CB 3.71Å; V48-D83 PolarHBondContact O-N 3.15Å; D83-W85 VanDerWaalsContact C-N 3.33Å; D83-W85 WeakPolarHBondContact OD1-CB 3.43Å; D83-W85 PolarHBondContact OD1-N 3.2Å; D83-H102 VanDerWaalsContact CG-CE1 3.48Å; D83-H102 IonicContact OD2-CE1 3.54Å; D83-H102 PolarHBondContact OD2-CE1 3.42Å
84P98.4Very high97.9Very high37 Ų3767.5 Ų67.524%0.2433%0.329CS..  trans-84.8-1-17935.8-36.5000114.1L67 E86 C87 Y88L67-P84 HydrophobicContact CD1-CB 4.06Å; L67-P84 HydrophobicContact CD2-CB 3.84Å; P84-E86 VanDerWaalsContact C-N 3.33Å; P84-E86 PolarHBondContact O-N 3.47Å; P84-C87 WeakPolarHBondContact O-CA 3.48Å; P84-C87 WeakPolarHBondContact O-CB 3.49Å; P84-C87 PolarHBondContact O-N 3.39Å; P84-Y88 HydrophobicContact CB-CD2 4.14Å; P84-Y88 HydrophobicContact CB-CE1 4.29Å; P84-Y88 HydrophobicContact CB-CE2 3.83Å; P84-Y88 HydrophobicContact CB-CG 4.5Å; P84-Y88 HydrophobicContact CG-CD2 4.21Å; P84-Y88 HydrophobicContact CG-CE2 3.85Å; P84-Y88 PolarHBondContact O-N 2.92Å; P84-Y88 VanDerWaalsContact O-N 3.15Å
85W98.7Very high97.9Very high51 Ų5168 Ų6819%0.19333%0.332CS..THydrogen-bonded Turntrans-50.8-48.6-168.6174.681.5000113D83 C87 Y88 Q89 Q93 V98 H101D83-W85 VanDerWaalsContact C-N 3.33Å; D83-W85 WeakPolarHBondContact OD1-CB 3.43Å; D83-W85 PolarHBondContact OD1-N 3.2Å; W85-C87 VanDerWaalsContact C-N 3.33Å; W85-C87 PolarHBondContact O-N 2.98Å; W85-Y88 PolarHBondContact O-N 2.82Å; W85-Y88 VanDerWaalsContact O-N 3.1Å; W85-Q89 HydrophobicContact CD2-CG 4.5Å; W85-Q89 HydrophobicContact CH2-CG 4.27Å; W85-Q89 HydrophobicContact CZ2-CG 4.11Å; W85-Q89 VanDerWaalsContact NE1-NE2 3.15Å; W85-Q89 WeakPolarHBondContact O-CG 3.48Å; W85-Q89 PolarHBondContact O-N 2.94Å; W85-Q89 PolarHBondContact O-NE2 3.35Å; W85-Q93 HydrophobicContact CH2-CG 4.13Å; W85-Q93 HydrophobicContact CZ3-CG 4.21Å; W85-V98 HydrophobicContact CZ3-CB 4.32Å; W85-V98 HydrophobicContact CZ3-CG2 3.99Å; W85-H101 AromaticContact CD1-CE1 3.27Å; W85-H101 AromaticContact CD1-ND1 3.83Å; W85-H101 AromaticContact CD1-NE2 3.42Å; W85-H101 HydrophobicContact CD2-CB 4.23Å; W85-H101 AromaticContact CD2-CD2 3.49Å; W85-H101 VanDerWaalsContact CD2-CD2 3.49Å; W85-H101 AromaticContact CD2-CE1 3.85Å; W85-H101 AromaticContact CD2-CG 3.53Å; W85-H101 AromaticContact CD2-ND1 3.76Å; W85-H101 AromaticContact CD2-NE2 3.74Å; W85-H101 AromaticContact CE2-CD2 3.86Å; W85-H101 AromaticContact CE2-CE1 3.57Å; W85-H101 AromaticContact CE2-CG 3.45Å; W85-H101 VanDerWaalsContact CE2-CG 3.45Å; W85-H101 AromaticContact CE2-ND1 3.26Å; W85-H101 VanDerWaalsContact CE2-ND1 3.26Å; W85-H101 AromaticContact CE2-NE2 3.96Å; W85-H101 HydrophobicContact CE3-CB 4.08Å; W85-H101 AromaticContact CE3-CD2 3.86Å; W85-H101 AromaticContact CE3-CG 3.84Å; W85-H101 AromaticContact CG-CD2 3.64Å; W85-H101 AromaticContact CG-CE1 3.69Å; W85-H101 AromaticContact CG-NE2 3.41Å; W85-H101 HydrophobicContact CH2-CB 3.77Å; W85-H101 HydrophobicContact CZ2-CB 3.91Å; W85-H101 AromaticContact CZ2-CG 3.73Å; W85-H101 AromaticContact CZ2-ND1 3.62Å; W85-H101 HydrophobicContact CZ3-CB 3.87Å; W85-H101 AromaticContact NE1-CE1 3.18Å; W85-H101 PolarHBondContact NE1-CE1 3.12Å; W85-H101 AromaticContact NE1-CG 3.91Å; W85-H101 AromaticContact NE1-ND1 3.31Å; W85-H101 PolarHBondContact NE1-ND1 3.3Å; W85-H101 AromaticContact NE1-NE2 3.75Å
86E98.5Very high98Very high5 Ų562 Ų622%0.02330%0.304CS..G310 helixtrans-61.1-41.9179.9-170.3-169.1154.800112S49 V51 H52 P84 Y88 Q89 Q93 V98S49-E86 PolarHBondContact OG-OE2 3.49Å; V51-E86 WeakPolarHBondContact CA-OE1 3.21Å; V51-E86 WeakPolarHBondContact CG2-OE1 3.47Å; H52-E86 PolarHBondContact N-OE1 3.41Å; P84-E86 VanDerWaalsContact C-N 3.33Å; P84-E86 PolarHBondContact O-N 3.47Å; E86-Y88 PolarHBondContact O-N 3.46Å; E86-Q89 PolarHBondContact O-N 3.31Å; E86-Q93 HydrophobicContact CG-CB 4.21Å; E86-Q93 HydrophobicContact CG-CG 4.38Å; E86-V98 HydrophobicContact CB-CG2 4.29Å; E86-V98 HydrophobicContact CG-CG2 3.95Å
87C97.9Very high98.1Very high9 Ų956.6 Ų56.66%0.06128%0.278CS..G310 helixtrans-67.1-19.4178.1-74.90000113.6P50 V51 S63 L67 P84 W85P50-C87 PolarHBondContact O-SG 2.84Å; V51-C87 PolarHBondContact O-SG 2.75Å; V51-C87 VanDerWaalsContact O-SG 3.42Å; S63-C87 VanDerWaalsContact CB-SG 3.57Å; L67-C87 HydrophobicContact CD1-CB 3.93Å; L67-C87 HydrophobicContact CG-CB 4.5Å; P84-C87 WeakPolarHBondContact O-CA 3.48Å; P84-C87 WeakPolarHBondContact O-CB 3.49Å; P84-C87 PolarHBondContact O-N 3.39Å; W85-C87 VanDerWaalsContact C-N 3.33Å; W85-C87 PolarHBondContact O-N 2.98Å
88Y97.9Very high98.2Very high168 Ų16855.5 Ų55.566%0.65927%0.271SS*.G310 helixtrans-99.12.7-179.3-69.8-7.8000113.6L67 P84 W85 E86L67-Y88 HydrophobicContact CD1-CE1 4.2Å; P84-Y88 HydrophobicContact CB-CD2 4.14Å; P84-Y88 HydrophobicContact CB-CE1 4.29Å; P84-Y88 HydrophobicContact CB-CE2 3.83Å; P84-Y88 HydrophobicContact CB-CG 4.5Å; P84-Y88 HydrophobicContact CG-CD2 4.21Å; P84-Y88 HydrophobicContact CG-CE2 3.85Å; P84-Y88 PolarHBondContact O-N 2.92Å; P84-Y88 VanDerWaalsContact O-N 3.15Å; W85-Y88 PolarHBondContact O-N 2.82Å; W85-Y88 VanDerWaalsContact O-N 3.1Å; E86-Y88 PolarHBondContact O-N 3.46Å
89Q98.3Very high98.2Very high56 Ų5649.4 Ų49.426%0.26224%0.238SC..SBendtrans-74.4157.7170.4-57.4-45.1-70.700110.6H52 W85 E86 T91 Q93H52-Q89 PolarHBondContact CD2-O 2.95Å; H52-Q89 VanDerWaalsContact CD2-O 3.28Å; H52-Q89 PolarHBondContact NE2-O 3.25Å; W85-Q89 HydrophobicContact CD2-CG 4.5Å; W85-Q89 HydrophobicContact CH2-CG 4.27Å; W85-Q89 HydrophobicContact CZ2-CG 4.11Å; W85-Q89 VanDerWaalsContact NE1-NE2 3.15Å; W85-Q89 WeakPolarHBondContact O-CG 3.48Å; W85-Q89 PolarHBondContact O-N 2.94Å; W85-Q89 PolarHBondContact O-NE2 3.35Å; E86-Q89 PolarHBondContact O-N 3.31Å; Q89-T91 WeakPolarHBondContact CB-O 3.46Å; Q89-T91 PolarHBondContact O-N 3.45Å; Q89-Q93 HydrophobicContact CB-CG 4.09Å; Q89-Q93 HydrophobicContact CG-CG 3.7Å
90D97.1Very high98.2Very high158 Ų15851.6 Ų51.685%0.84525%0.249SC*.SBendtrans-69.1-26.4177.3-65.1-36.2000112.4
91T97Very high98.2Very high86 Ų8653.4 Ų53.453%0.52826%0.258SS..SBendtrans-137.9162.8-177.160.40000111.4Q89 Q93Q89-T91 WeakPolarHBondContact CB-O 3.46Å; Q89-T91 PolarHBondContact O-N 3.45Å; T91-Q93 PolarHBondContact O-NE2 3.49Å; T91-Q93 PolarHBondContact OG1-NE2 3.3Å
92W97.8Very high98.2Very high107 Ų10747.2 Ų47.241%0.40523%0.234SC..  trans-58.4141173170.170.6000111.7H52 Y55 T94H52-W92 HydrophobicContact CB-CB 4.36Å; Y55-W92 AromaticContact CD2-CD1 3.67Å; Y55-W92 HydrophobicContact CD2-CD2 4.38Å; Y55-W92 AromaticContact CD2-CE2 3.8Å; Y55-W92 HydrophobicContact CD2-CG 4.29Å; Y55-W92 HydrophobicContact CD2-CZ2 4.4Å; Y55-W92 AromaticContact CD2-NE1 3.33Å; Y55-W92 VanDerWaalsContact CD2-NE1 3.33Å; Y55-W92 HydrophobicContact CE2-CZ2 4.38Å; Y55-W92 AromaticContact CE2-NE1 3.97Å; W92-T94 HydrophobicContact CH2-CG2 3.92Å; W92-T94 HydrophobicContact CZ3-CG2 4.16Å
93Q98.3Very high98Very high40 Ų4048.4 Ų48.419%0.18724%0.236CC..  trans-112.6145.9-179.4-56.9-57.9-60.400110.7W85 E86 Q89 T91 V98W85-Q93 HydrophobicContact CH2-CG 4.13Å; W85-Q93 HydrophobicContact CZ3-CG 4.21Å; E86-Q93 HydrophobicContact CG-CB 4.21Å; E86-Q93 HydrophobicContact CG-CG 4.38Å; Q89-Q93 HydrophobicContact CB-CG 4.09Å; Q89-Q93 HydrophobicContact CG-CG 3.7Å; T91-Q93 PolarHBondContact O-NE2 3.49Å; T91-Q93 PolarHBondContact OG1-NE2 3.3Å; Q93-V98 HydrophobicContact CB-CG2 4.14Å
94T98.1Very high97.8Very high37 Ų3749.7 Ų49.723%0.22724%0.243CC..  trans-70.8153.1172.477.60000110.1W92 C96 S97 V98 D217W92-T94 HydrophobicContact CH2-CG2 3.92Å; W92-T94 HydrophobicContact CZ3-CG2 4.16Å; T94-C96 PolarHBondContact O-N 2.87Å; T94-C96 VanDerWaalsContact O-N 3.17Å; T94-S97 PolarHBondContact O-N 2.96Å; T94-S97 PolarHBondContact OG1-N 3.49Å; T94-S97 PolarHBondContact OG1-OG 3.3Å; T94-V98 WeakPolarHBondContact O-CG2 3.45Å; T94-V98 PolarHBondContact O-N 2.84Å; T94-V98 VanDerWaalsContact O-N 3.12Å; T94-D217 WeakPolarHBondContact CB-OD2 3.43Å; T94-D217 PolarHBondContact OG1-OD2 3.2Å
95T98.4Very high97.4Very high22 Ų2251 Ų5114%0.13525%0.248CC..Hα-helixtrans-54.7-34.4174.5-54.80000111.8C14 V98 L99 L197 I221C14-T95 HydrophobicContact CB-CG2 4.31Å; T95-V98 PolarHBondContact O-N 2.86Å; T95-L99 HydrophobicContact CG2-CD1 4.13Å; T95-L99 WeakPolarHBondContact O-CG 3.33Å; T95-L99 PolarHBondContact O-N 3.16Å; T95-L197 HydrophobicContact CG2-CD1 3.81Å; T95-L197 HydrophobicContact CG2-CD2 4.01Å; T95-I221 HydrophobicContact CG2-CD1 4.5Å
96C98.5Very high96.9Very high3 Ų349.7 Ų49.72%0.0224%0.244CC..Hα-helixtrans-59.2-55174.2-171.30000110.3T94 V98 L99 E100 D217 I221T94-C96 PolarHBondContact O-N 2.87Å; T94-C96 VanDerWaalsContact O-N 3.17Å; C96-V98 VanDerWaalsContact C-N 3.26Å; C96-V98 PolarHBondContact O-N 3.28Å; C96-L99 WeakPolarHBondContact O-CA 3.4Å; C96-L99 WeakPolarHBondContact O-CB 3.38Å; C96-L99 PolarHBondContact O-N 2.98Å; C96-E100 WeakPolarHBondContact O-CG 3.29Å; C96-E100 PolarHBondContact O-N 3.42Å; C96-D217 HydrophobicContact CB-CB 3.78Å; C96-D217 VanDerWaalsContact CB-CG 3.48Å; C96-I221 HydrophobicContact CB-CD1 4.11Å; C96-I221 HydrophobicContact CB-CG1 4.08Å
97S98.6Very high96.3Very high39 Ų3955.8 Ų55.827%0.27327%0.271SS..Hα-helixtrans-57.3-36.4178.8-54.80000113.5T94 E100 H101T94-S97 PolarHBondContact O-N 2.96Å; T94-S97 PolarHBondContact OG1-N 3.49Å; T94-S97 PolarHBondContact OG1-OG 3.3Å; S97-E100 PolarHBondContact O-N 3.48Å; S97-H101 WeakPolarHBondContact O-CB 3.41Å; S97-H101 PolarHBondContact O-N 2.74Å
98V98.7Very high95.8Very high0 Ų061.7 Ų61.70%029%0.292CS..Hα-helixtrans-65.6-45.5175.1-175.20000111.1L12 W85 E86 Q93 T94 T95 C96 E100 H101 H102L12-V98 HydrophobicContact CD2-CG1 4.12Å; W85-V98 HydrophobicContact CZ3-CB 4.32Å; W85-V98 HydrophobicContact CZ3-CG2 3.99Å; E86-V98 HydrophobicContact CB-CG2 4.29Å; E86-V98 HydrophobicContact CG-CG2 3.95Å; Q93-V98 HydrophobicContact CB-CG2 4.14Å; T94-V98 WeakPolarHBondContact O-CG2 3.45Å; T94-V98 PolarHBondContact O-N 2.84Å; T94-V98 VanDerWaalsContact O-N 3.12Å; T95-V98 PolarHBondContact O-N 2.86Å; C96-V98 VanDerWaalsContact C-N 3.26Å; C96-V98 PolarHBondContact O-N 3.28Å; V98-E100 VanDerWaalsContact C-N 3.34Å; V98-E100 PolarHBondContact O-N 3.09Å; V98-H101 PolarHBondContact O-N 2.78Å; V98-H102 PolarHBondContact O-CD2 3.24Å; V98-H102 PolarHBondContact O-N 2.99Å; V98-H102 VanDerWaalsContact O-N 3.15Å
99L98.6Very high95.1Very high0 Ų057.3 Ų57.30%028%0.282CS..Hα-helixtrans-60.1-43.9175.5-76.6160.2000111.7L12 T95 C96 H102 R103 I195 L197 I221 F225L12-L99 HydrophobicContact CB-CD2 4.44Å; L12-L99 HydrophobicContact CD2-CD2 3.61Å; L12-L99 HydrophobicContact CD2-CG 3.97Å; T95-L99 HydrophobicContact CG2-CD1 4.13Å; T95-L99 WeakPolarHBondContact O-CG 3.33Å; T95-L99 PolarHBondContact O-N 3.16Å; C96-L99 WeakPolarHBondContact O-CA 3.4Å; C96-L99 WeakPolarHBondContact O-CB 3.38Å; C96-L99 PolarHBondContact O-N 2.98Å; L99-H102 PolarHBondContact O-N 3.21Å; L99-R103 WeakPolarHBondContact O-CB 3.22Å; L99-R103 PolarHBondContact O-N 2.94Å; L99-I195 HydrophobicContact CD2-CG2 3.59Å; L99-L197 HydrophobicContact CD1-CB 4.29Å; L99-L197 HydrophobicContact CD2-CB 4.24Å; L99-I221 HydrophobicContact CD1-CB 4.4Å; L99-I221 HydrophobicContact CD1-CG1 3.83Å; L99-I221 HydrophobicContact CD1-CG2 4.09Å; L99-F225 VanDerWaalsContact C-CZ 3.43Å; L99-F225 HydrophobicContact CB-CD1 4.05Å; L99-F225 HydrophobicContact CB-CD2 4.07Å; L99-F225 HydrophobicContact CB-CE1 3.71Å; L99-F225 HydrophobicContact CB-CE2 3.75Å; L99-F225 HydrophobicContact CB-CG 4.21Å; L99-F225 HydrophobicContact CB-CZ 3.56Å; L99-F225 HydrophobicContact CD1-CD2 4.25Å; L99-F225 HydrophobicContact CD1-CG 4.33Å; L99-F225 HydrophobicContact CD2-CD1 4.01Å; L99-F225 HydrophobicContact CD2-CE1 4.38Å; L99-F225 HydrophobicContact CD2-CG 4.22Å; L99-F225 WeakPolarHBondContact O-CE1 3.35Å; L99-F225 WeakPolarHBondContact O-CZ 3.5Å
100E98.3Very high94.3Very high69 Ų6957.3 Ų57.332%0.32229%0.286SS..Hα-helixtrans-63.9-44.2177.8-62-161.2119.800112.4C96 S97 V98 H102 R103 D104 F225C96-E100 WeakPolarHBondContact O-CG 3.29Å; C96-E100 PolarHBondContact O-N 3.42Å; S97-E100 PolarHBondContact O-N 3.48Å; V98-E100 VanDerWaalsContact C-N 3.34Å; V98-E100 PolarHBondContact O-N 3.09Å; E100-H102 VanDerWaalsContact C-N 3.34Å; E100-H102 PolarHBondContact O-N 3.15Å; E100-R103 VanDerWaalsContact CG-NH2 3.28Å; E100-R103 WeakPolarHBondContact O-CB 3.49Å; E100-R103 PolarHBondContact O-N 3.39Å; E100-R103 IonicContact OE1-CZ 2.67Å; E100-R103 IonicContact OE1-NH2 3.5Å; E100-R103 PolarHBondContact OE1-NH2 2.85Å; E100-D104 PolarHBondContact O-N 2.78Å; E100-F225 HydrophobicContact CG-CE2 4.11Å; E100-F225 HydrophobicContact CG-CZ 4.04Å
101H98.1Very high93.3Very high38 Ų3851.5 Ų51.518%0.17626%0.264CS..Hα-helixtrans-53.9-51.2175172.276.1000111.6W85 S97 V98 R103 D104 L105W85-H101 AromaticContact CD1-CE1 3.27Å; W85-H101 AromaticContact CD1-ND1 3.83Å; W85-H101 AromaticContact CD1-NE2 3.42Å; W85-H101 HydrophobicContact CD2-CB 4.23Å; W85-H101 AromaticContact CD2-CD2 3.49Å; W85-H101 VanDerWaalsContact CD2-CD2 3.49Å; W85-H101 AromaticContact CD2-CE1 3.85Å; W85-H101 AromaticContact CD2-CG 3.53Å; W85-H101 AromaticContact CD2-ND1 3.76Å; W85-H101 AromaticContact CD2-NE2 3.74Å; W85-H101 AromaticContact CE2-CD2 3.86Å; W85-H101 AromaticContact CE2-CE1 3.57Å; W85-H101 AromaticContact CE2-CG 3.45Å; W85-H101 VanDerWaalsContact CE2-CG 3.45Å; W85-H101 AromaticContact CE2-ND1 3.26Å; W85-H101 VanDerWaalsContact CE2-ND1 3.26Å; W85-H101 AromaticContact CE2-NE2 3.96Å; W85-H101 HydrophobicContact CE3-CB 4.08Å; W85-H101 AromaticContact CE3-CD2 3.86Å; W85-H101 AromaticContact CE3-CG 3.84Å; W85-H101 AromaticContact CG-CD2 3.64Å; W85-H101 AromaticContact CG-CE1 3.69Å; W85-H101 AromaticContact CG-NE2 3.41Å; W85-H101 HydrophobicContact CH2-CB 3.77Å; W85-H101 HydrophobicContact CZ2-CB 3.91Å; W85-H101 AromaticContact CZ2-CG 3.73Å; W85-H101 AromaticContact CZ2-ND1 3.62Å; W85-H101 HydrophobicContact CZ3-CB 3.87Å; W85-H101 AromaticContact NE1-CE1 3.18Å; W85-H101 PolarHBondContact NE1-CE1 3.12Å; W85-H101 AromaticContact NE1-CG 3.91Å; W85-H101 AromaticContact NE1-ND1 3.31Å; W85-H101 PolarHBondContact NE1-ND1 3.3Å; W85-H101 AromaticContact NE1-NE2 3.75Å; S97-H101 WeakPolarHBondContact O-CB 3.41Å; S97-H101 PolarHBondContact O-N 2.74Å; V98-H101 PolarHBondContact O-N 2.78Å; H101-R103 VanDerWaalsContact C-N 3.34Å; H101-R103 PolarHBondContact O-N 3.45Å; H101-D104 PolarHBondContact O-N 3.41Å; H101-L105 WeakPolarHBondContact O-CB 3.4Å; H101-L105 PolarHBondContact O-N 3.33Å
102H97.5Very high92Very high4 Ų450.9 Ų50.92%0.01926%0.262CS..Hα-helixtrans-67.1-35.8-179.2-74.9-65.8000112.1D83 V98 L99 E100 D104 L105 M106 I195D83-H102 VanDerWaalsContact CG-CE1 3.48Å; D83-H102 IonicContact OD2-CE1 3.54Å; D83-H102 PolarHBondContact OD2-CE1 3.42Å; V98-H102 PolarHBondContact O-CD2 3.24Å; V98-H102 PolarHBondContact O-N 2.99Å; V98-H102 VanDerWaalsContact O-N 3.15Å; L99-H102 PolarHBondContact O-N 3.21Å; E100-H102 VanDerWaalsContact C-N 3.34Å; E100-H102 PolarHBondContact O-N 3.15Å; H102-D104 VanDerWaalsContact C-N 3.34Å; H102-D104 PolarHBondContact O-N 2.91Å; H102-L105 PolarHBondContact O-N 3.4Å; H102-M106 VanDerWaalsContact O-CG 3.31Å; H102-M106 WeakPolarHBondContact O-CG 3.14Å; H102-M106 PolarHBondContact O-N 3.1Å; H102-I195 HydrophobicContact CB-CD1 3.48Å; H102-I195 VanDerWaalsContact CB-CD1 3.48Å
103R95.1Very high90.8Very high49 Ų4949.9 Ų49.919%0.18526%0.264CS..Hα-helixtrans-59.8-45.7173.8-180-179.763.6-158.7-2.6111.8L99 E100 H101 M106 K107 I195 F225L99-R103 WeakPolarHBondContact O-CB 3.22Å; L99-R103 PolarHBondContact O-N 2.94Å; E100-R103 VanDerWaalsContact CG-NH2 3.28Å; E100-R103 WeakPolarHBondContact O-CB 3.49Å; E100-R103 PolarHBondContact O-N 3.39Å; E100-R103 IonicContact OE1-CZ 2.67Å; E100-R103 IonicContact OE1-NH2 3.5Å; E100-R103 PolarHBondContact OE1-NH2 2.85Å; H101-R103 VanDerWaalsContact C-N 3.34Å; H101-R103 PolarHBondContact O-N 3.45Å; R103-M106 PolarHBondContact O-N 3.4Å; R103-K107 HydrophobicContact CG-CD 4.46Å; R103-K107 WeakPolarHBondContact O-CG 3.25Å; R103-K107 PolarHBondContact O-N 2.78Å; R103-I195 HydrophobicContact CB-CD1 4.21Å; R103-F225 HydrophobicContact CB-CE1 3.87Å; R103-F225 HydrophobicContact CB-CZ 4.19Å; R103-F225 HydrophobicContact CG-CE1 4.37Å; R103-F225 VanDerWaalsContact CZ-CZ 3.5Å; R103-F225 VanDerWaalsContact NH1-CE2 3.27Å
104D93.4Very high89.5Confident66 Ų6650.9 Ų50.935%0.35327%0.27SS..Hα-helixtrans-71.2-35.2-179-68.1-11.2000111.7E100 H101 H102 K107 R108E100-D104 PolarHBondContact O-N 2.78Å; H101-D104 PolarHBondContact O-N 3.41Å; H102-D104 VanDerWaalsContact C-N 3.34Å; H102-D104 PolarHBondContact O-N 2.91Å; D104-K107 PolarHBondContact O-N 3.25Å; D104-R108 WeakPolarHBondContact O-CG 3.31Å; D104-R108 PolarHBondContact O-N 2.97Å; D104-R108 PolarHBondContact O-NH1 2.84Å
105L91.2Very high88Confident63 Ų6352.1 Ų52.133%0.3328%0.28SS..Hα-helixtrans-60.9-47.6171.8-178.861.3000111.4H101 H102 K107 R108 V109H101-L105 WeakPolarHBondContact O-CB 3.4Å; H101-L105 PolarHBondContact O-N 3.33Å; H102-L105 PolarHBondContact O-N 3.4Å; L105-K107 PolarHBondContact O-N 3.28Å; L105-R108 PolarHBondContact O-N 2.97Å; L105-V109 HydrophobicContact CD1-CG2 4.35Å; L105-V109 WeakPolarHBondContact O-CG2 3.42Å; L105-V109 PolarHBondContact O-N 3.12Å
106M87.9Confident86.2Confident25 Ų2556.5 Ų56.512%0.12330%0.303CS..Hα-helixtrans-59.8-47.4176.4-70.9-169.7-37.600111.8I10 H102 R103 R108 V109 T110 L193 I195I10-M106 HydrophobicContact CB-SD 4.41Å; I10-M106 HydrophobicContact CD1-CG 4.22Å; I10-M106 HydrophobicContact CD1-SD 3.49Å; I10-M106 WeakPolarHBondContact CD1-SD 3.34Å; I10-M106 HydrophobicContact CG1-SD 4.08Å; H102-M106 VanDerWaalsContact O-CG 3.31Å; H102-M106 WeakPolarHBondContact O-CG 3.14Å; H102-M106 PolarHBondContact O-N 3.1Å; R103-M106 PolarHBondContact O-N 3.4Å; M106-R108 VanDerWaalsContact C-N 3.27Å; M106-R108 PolarHBondContact O-N 3.47Å; M106-V109 PolarHBondContact O-N 3.42Å; M106-T110 WeakPolarHBondContact O-CB 3.49Å; M106-T110 PolarHBondContact O-N 3.19Å; M106-T110 PolarHBondContact O-OG1 3.47Å; M106-T110 VanDerWaalsContact O-OG1 3.1Å; M106-L193 HydrophobicContact CB-CD2 4.18Å; M106-L193 HydrophobicContact CE-CD2 4.15Å; M106-L193 HydrophobicContact CE-CG 3.94Å; M106-L193 HydrophobicContact CG-CD2 4.31Å; M106-L193 HydrophobicContact SD-CD1 4.31Å; M106-L193 HydrophobicContact SD-CD2 3.71Å; M106-L193 HydrophobicContact SD-CG 3.87Å; M106-I195 HydrophobicContact CE-CB 4.42Å; M106-I195 HydrophobicContact CE-CD1 3.35Å; M106-I195 HydrophobicContact CE-CG1 3.4Å; M106-I195 HydrophobicContact CG-CD1 4.19Å; M106-I195 HydrophobicContact SD-CD1 3.59Å; M106-I195 VanDerWaalsContact SD-CD1 3.59Å; M106-I195 HydrophobicContact SD-CG1 3.5Å; M106-I195 WeakPolarHBondContact SD-CG1 3.35Å
107K86.6Confident84.3Confident132 Ų13260.2 Ų60.257%0.57433%0.325SS*.Hα-helixtrans-56.4-42.3178.3-75.3175.5178.6177.10111.8R103 D104 L105 G111R103-K107 HydrophobicContact CG-CD 4.46Å; R103-K107 WeakPolarHBondContact O-CG 3.25Å; R103-K107 PolarHBondContact O-N 2.78Å; D104-K107 PolarHBondContact O-N 3.25Å; L105-K107 PolarHBondContact O-N 3.28Å; K107-G111 PolarHBondContact O-N 2.91Å
108R85.8Confident82.1Confident134 Ų13464.4 Ų64.451%0.50635%0.345SS..Hα-helixtrans-63.9-48.4175.7-73.2-173.1-63.6-90.21.6112D104 L105 M106 G111 C112D104-R108 WeakPolarHBondContact O-CG 3.31Å; D104-R108 PolarHBondContact O-N 2.97Å; D104-R108 PolarHBondContact O-NH1 2.84Å; L105-R108 PolarHBondContact O-N 2.97Å; M106-R108 VanDerWaalsContact C-N 3.27Å; M106-R108 PolarHBondContact O-N 3.47Å; R108-G111 PolarHBondContact O-N 3.01Å; R108-C112 PolarHBondContact O-N 3.26Å; R108-C112 PolarHBondContact O-SG 2.88Å
109V83Confident79.5Confident75 Ų7568.7 Ų68.746%0.45537%0.371SS..Hα-helixtrans-62.8-48.6-178.9172.30000111L105 M106 G111 C112 I113L105-V109 HydrophobicContact CD1-CG2 4.35Å; L105-V109 WeakPolarHBondContact O-CG2 3.42Å; L105-V109 PolarHBondContact O-N 3.12Å; M106-V109 PolarHBondContact O-N 3.42Å; V109-G111 VanDerWaalsContact C-N 3.34Å; V109-G111 PolarHBondContact O-N 3.02Å; V109-C112 PolarHBondContact O-N 3.28Å; V109-I113 HydrophobicContact CG1-CD1 3.85Å; V109-I113 WeakPolarHBondContact O-CG1 3.42Å; V109-I113 PolarHBondContact O-N 3.25Å
110T81.6Confident77Confident56 Ų5673.9 Ų73.934%0.34441%0.405SS..Hα-helixtrans-61-43.5176.9-56.80000111M106 C112 I113 L114M106-T110 WeakPolarHBondContact O-CB 3.49Å; M106-T110 PolarHBondContact O-N 3.19Å; M106-T110 PolarHBondContact O-OG1 3.47Å; M106-T110 VanDerWaalsContact O-OG1 3.1Å; T110-C112 PolarHBondContact O-N 2.78Å; T110-I113 PolarHBondContact O-N 2.87Å; T110-L114 HydrophobicContact CG2-CD1 3.95Å; T110-L114 HydrophobicContact CG2-CG 4.35Å; T110-L114 WeakPolarHBondContact O-CB 3.46Å; T110-L114 VanDerWaalsContact O-CG 3.26Å; T110-L114 WeakPolarHBondContact O-CG 3.45Å; T110-L114 PolarHBondContact O-N 2.91Å
111G75.9Confident74.4Confident37 Ų3775.4 Ų75.438%0.38142%0.423SS..Hα-helixtrans-57.8-44.3174.800000113.2K107 R108 V109 L114 S115K107-G111 PolarHBondContact O-N 2.91Å; R108-G111 PolarHBondContact O-N 3.01Å; V109-G111 VanDerWaalsContact C-N 3.34Å; V109-G111 PolarHBondContact O-N 3.02Å; G111-L114 PolarHBondContact O-N 2.74Å; G111-S115 PolarHBondContact O-N 2.72Å; G111-S115 PolarHBondContact O-OG 3.22Å
112C69.8Low71.9Confident73 Ų7381.6 Ų81.649%0.49345%0.454SS..Hα-helixtrans-65.5-39.8176.5-70.50000113.1R108 V109 T110 S115 N116R108-C112 PolarHBondContact O-N 3.26Å; R108-C112 PolarHBondContact O-SG 2.88Å; V109-C112 PolarHBondContact O-N 3.28Å; T110-C112 PolarHBondContact O-N 2.78Å; C112-S115 WeakPolarHBondContact CA-OG 3.41Å; C112-S115 PolarHBondContact O-N 3Å; C112-S115 PolarHBondContact O-OG 2.72Å; C112-N116 WeakPolarHBondContact O-CB 3.11Å; C112-N116 PolarHBondContact O-N 3.28Å; C112-N116 VanDerWaalsContact O-N 3.09Å; C112-N116 PolarHBondContact O-ND2 2.93Å
113I73.2Confident69.4Low85 Ų8586.1 Ų86.144%0.43648%0.482SS..Hα-helixtrans-63.2-48.9177.3-68.8166.7000109.4V109 T110 S115 N116 V117V109-I113 HydrophobicContact CG1-CD1 3.85Å; V109-I113 WeakPolarHBondContact O-CG1 3.42Å; V109-I113 PolarHBondContact O-N 3.25Å; T110-I113 PolarHBondContact O-N 2.87Å; I113-S115 VanDerWaalsContact C-N 3.31Å; I113-S115 PolarHBondContact O-N 3.06Å; I113-N116 PolarHBondContact O-N 3.01Å; I113-V117 WeakPolarHBondContact O-CG2 3.46Å; I113-V117 PolarHBondContact O-N 3Å; I113-V117 VanDerWaalsContact O-N 3.14Å
114L71.2Confident66.7Low62 Ų6289.2 Ų89.233%0.32551%0.508SS..Hα-helixtrans-64-34.6179.9-65.5174.8000112.3T110 G111 N118 Y188T110-L114 HydrophobicContact CG2-CD1 3.95Å; T110-L114 HydrophobicContact CG2-CG 4.35Å; T110-L114 WeakPolarHBondContact O-CB 3.46Å; T110-L114 VanDerWaalsContact O-CG 3.26Å; T110-L114 WeakPolarHBondContact O-CG 3.45Å; T110-L114 PolarHBondContact O-N 2.91Å; G111-L114 PolarHBondContact O-N 2.74Å; L114-N118 PolarHBondContact O-N 3.17Å; L114-N118 PolarHBondContact O-ND2 3.32Å; L114-Y188 HydrophobicContact CD2-CD1 3.5Å; L114-Y188 VanDerWaalsContact CD2-CD1 3.5Å; L114-Y188 HydrophobicContact CD2-CD2 4.34Å; L114-Y188 HydrophobicContact CD2-CE1 3.74Å; L114-Y188 HydrophobicContact CD2-CG 3.82Å
115S66.8Low64.2Low62 Ų6292.7 Ų92.743%0.43453%0.532SS..Hα-helixtrans-69.3-37.5175.7650000113G111 C112 I113G111-S115 PolarHBondContact O-N 2.72Å; G111-S115 PolarHBondContact O-OG 3.22Å; C112-S115 WeakPolarHBondContact CA-OG 3.41Å; C112-S115 PolarHBondContact O-N 3Å; C112-S115 PolarHBondContact O-OG 2.72Å; I113-S115 VanDerWaalsContact C-N 3.31Å; I113-S115 PolarHBondContact O-N 3.06Å
116N60.5Low62Low115 Ų11597.7 Ų97.762%0.61556%0.557SS**Hα-helixtrans-76.8-27.3-177.1-70.3-17.2000113.5C112 I113 T119C112-N116 WeakPolarHBondContact O-CB 3.11Å; C112-N116 PolarHBondContact O-N 3.28Å; C112-N116 VanDerWaalsContact O-N 3.09Å; C112-N116 PolarHBondContact O-ND2 2.93Å; I113-N116 PolarHBondContact O-N 3.01Å; N116-T119 PolarHBondContact O-OG1 3.33Å
117V59Low59.6Low81 Ų8199.3 Ų99.349%0.49158%0.58SS.*Hα-helixtrans-75.9-30.8175.6176.40000111.4I113 T119 Y188I113-V117 WeakPolarHBondContact O-CG2 3.46Å; I113-V117 PolarHBondContact O-N 3Å; I113-V117 VanDerWaalsContact O-N 3.14Å; V117-T119 VanDerWaalsContact C-N 3.32Å; V117-T119 PolarHBondContact O-N 3.02Å; V117-Y188 HydrophobicContact CG1-CE2 4Å
118N51.2Low57.4Low127 Ų127102 Ų10268%0.67960%0.595SS**SBendtrans-82.3-4.3-179.4-72.8-31.9000114.4L114 P120L114-N118 PolarHBondContact O-N 3.17Å; L114-N118 PolarHBondContact O-ND2 3.32Å; N118-P120 WeakPolarHBondContact O-CD 3.34Å
119T45.7Very low55Low90 Ų90101.9 Ų101.955%0.55261%0.611SS**SBendtrans-91.5116.4172.944.50000110.9N116 V117 S121N116-T119 PolarHBondContact O-OG1 3.33Å; V117-T119 VanDerWaalsContact C-N 3.32Å; V117-T119 PolarHBondContact O-N 3.02Å; T119-S121 PolarHBondContact O-N 3.2Å
120P44.8Very low52.6Low109 Ų109107.5 Ų107.571%0.70863%0.632SS**  trans-61.6126.6171.8-1223.8000109.5N118 M122N118-P120 WeakPolarHBondContact O-CD 3.34Å; P120-M122 VanDerWaalsContact C-N 3.31Å; P120-M122 PolarHBondContact O-N 3.39Å
121S44.3Very low50.2Low100 Ų100113 Ų11370%0.69965%0.654SS**  trans-66.888.9170.7175.90000109.8T119 T123T119-S121 PolarHBondContact O-N 3.2Å; S121-T123 PolarHBondContact O-N 3.32Å; S121-T123 VanDerWaalsContact O-N 3.07Å; S121-T123 PolarHBondContact OG-OG1 2.75Å
122M46.2Very low48Very low168 Ų168120.6 Ų120.683%0.82868%0.679SS**  trans-80.372.2166.7-73.2-86.596.400109.6P120 P124P120-M122 VanDerWaalsContact C-N 3.31Å; P120-M122 PolarHBondContact O-N 3.39Å; M122-P124 WeakPolarHBondContact O-CD 3.21Å
123T44.2Very low46.2Very low99 Ų99123.9 Ų123.961%0.60769%0.692SS**  trans-85.4114.3156.323.70000107.6S121 V125S121-T123 PolarHBondContact O-N 3.32Å; S121-T123 VanDerWaalsContact O-N 3.07Å; S121-T123 PolarHBondContact OG-OG1 2.75Å; T123-V125 PolarHBondContact O-N 3.41Å; T123-V125 VanDerWaalsContact O-N 3.16Å
124P39.3Very low44Very low115 Ų115126.1 Ų126.175%0.74771%0.71SS**  trans-64.911917425.1-30.1000108.8M122 I126M122-P124 WeakPolarHBondContact O-CD 3.21Å; P124-I126 PolarHBondContact O-N 3.48Å
125V41Very low42Very low138 Ų138131.5 Ų131.584%0.83673%0.733SS**  trans-68.3112.1166.7176.20000106.5T123 G127T123-V125 PolarHBondContact O-N 3.41Å; T123-V125 VanDerWaalsContact O-N 3.16Å; V125-G127 VanDerWaalsContact C-N 3.33Å; V125-G127 PolarHBondContact O-N 3.35Å
126I44.4Very low41Very low169 Ų169133.3 Ų133.387%0.86774%0.744SS**  trans-69.194.7173-68.9161.7000107.2P124P124-I126 PolarHBondContact O-N 3.48Å
127G38Very low39.4Very low58 Ų58134.6 Ų134.660%0.59875%0.749SS**PPolyproline II helixtrans-88140170.700000111.3V125V125-G127 VanDerWaalsContact C-N 3.33Å; V125-G127 PolarHBondContact O-N 3.35Å
128Q39.9Very low37.9Very low190 Ų190141.4 Ų141.489%0.88877%0.767SS**PPolyproline II helixtrans-49.5148174.7-66159.1-59.700113.4
129P34.2Very low36.9Very low130 Ų130143.5 Ų143.584%0.84477%0.773SS**PPolyproline II helixtrans-89.5130.1157.81.318.1000111
130Q33.4Very low36Very low193 Ų193146.3 Ų146.390%0.90279%0.785SS**PPolyproline II helixtrans-66.9150.4168.3-68175.2-39.500111.2
131H32.3Very low35.3Very low173 Ų173144.8 Ų144.880%0.80178%0.776SS**PPolyproline II helixtrans-61.8133.7172.8-104.8-89.8000112.3
132E29.7Very low34.4Very low196 Ų196147.3 Ų147.392%0.91678%0.782SS**  trans-148.8130.8142.9-110.4176.9-170.900110.2
133N30.6Very low33.6Very low141 Ų141145.6 Ų145.675%0.75478%0.781SS**  trans-75.5149.5-176.7-77.5-35.1000112
134T28Very low33.5Very low133 Ų133145.9 Ų145.982%0.81678%0.784SS**  -171113.3126.9-60.20000112.2
135Q29Very low32.9Very low175 Ų175147.2 Ų147.282%0.81879%0.791SS**  trans62.7141.5149-58.6-76.3-20.600123.7
136P44.8Very low32.2Very low100 Ų100150.1 Ų150.165%0.64979%0.792SS**  trans-111.8-174-175.439.6-25000114.8
137I26.6Very low32Very low142 Ų142147.3 Ų147.373%0.72879%0.785SS**  trans109.6127167-58.8163.4000112.1
138Y28Very low31.6Very low224 Ų224151.1 Ų151.188%0.87880%0.797SS**  cis-148.3157.637.9-119.4-71.5000113
139Q30.4Very low31Very low171 Ų171146.5 Ų146.580%0.79979%0.791SS**  trans-74.4175.6174.7-94.9169.1-48.100116.3
140N27.8Very low30.9Very low148 Ų148144.8 Ų144.879%0.79179%0.788SS**  trans100.9138.6152.9-89.8-0.1000116.9
141S28.5Very low30.6Very low77 Ų77144.7 Ų144.754%0.53878%0.784SS.*  cis177.5159.6-742.40000109.1
142N27.1Very low30.5Very low153 Ų153143.5 Ų143.582%0.81878%0.783SS**  trans99.5133.7148-62-21.6000121.4
143V28.2Very low30.5Very low133 Ų133142.5 Ų142.581%0.80678%0.783SS**  trans-99.7-158.7-169.6-158.90000109.2
144P42.3Very low30.3Very low104 Ų104139 Ų13968%0.67578%0.78SS**  -111.3-179-76.529.9-12.1000113.2
145T26.7Very low30.4Very low143 Ų143143 Ų14388%0.87779%0.786SS**  -175.4130.2122.132.90000113
146K26.5Very low30.4Very low199 Ų199141.8 Ų141.887%0.86579%0.79SS**  trans-86.8-174.7155.9-91.7-176.3178.5178.20108.8
147P41.1Very low29.6Very low111 Ų111140.4 Ų140.472%0.72179%0.794SS**  cis-136.1179.7-524.80.1000114.5
148T29.1Very low29.8Very low138 Ų138142.5 Ų142.585%0.84780%0.801SS**  153.9143.9121.6-60.50000113
149A27.1Very low30Very low92 Ų92136.8 Ų136.876%0.7679%0.794SS**  trans-98.9153.9-165.700000115.1
150A30.9Very low30Very low95 Ų95135.9 Ų135.979%0.78579%0.793SS**  trans-178.9113.4140.900000108.6
151K28Very low30.4Very low190 Ų190133.6 Ų133.683%0.82679%0.789SS**  70.4123.681.4-99.1-173.7-178.2-1800115.9
152I31Very low31.3Very low149 Ų149141.1 Ų141.176%0.76481%0.806SS**  trans87.995147.5-57157.5000115.3
153L27.9Very low31.7Very low175 Ų175141.8 Ų141.892%0.91681%0.807SS**  49.1105.983.9-157.381000111.4
154G27.5Very low31.9Very low68 Ų68139.8 Ų139.870%0.70180%0.798SS**  cis140.71303700000106
155K29.4Very low31.7Very low217 Ų217141.7 Ų141.794%0.94381%0.812SS**  trans-153.3115.7152.4-120.7179.8-179.1-177.80108.3
156V29.2Very low32.2Very low149 Ų149140.6 Ų140.690%0.90381%0.805SS**  trans-81.1126.1-171.8173.40000108.5
157G27.4Very low32.7Very low71 Ų71142 Ų14273%0.73281%0.805SS**  trans-126.5101.5169.300000108.8
158E31Very low32.3Very low186 Ų186141.5 Ų141.587%0.86980%0.802SS**  trans41.1124152.7-64.2-178.2162.200122.2
159S33.6Very low32.4Very low104 Ų104141.1 Ų141.173%0.72780%0.801SS**  trans77.8109.9146.6-1540000117.4
160L29.4Very low32.9Very low152 Ų152143 Ų14380%0.79680%0.803SS**  173.6124.1109-87161.5000110.5
161S36Very low32.9Very low99 Ų99145.9 Ų145.969%0.69280%0.8SS**  trans59.4129.4143.667.40000121.3
162R48.8Very low33.1Very low236 Ų236147.2 Ų147.289%0.89180%0.8SS**  trans67.898.9154.5-66.9179.4-179.5-178.60.9117
163I35.6Very low33.1Very low167 Ų167148.2 Ų148.286%0.85680%0.799SS**  trans-174.9137.9151.5-97.3144.3000105
164C32.3Very low33.1Very low91 Ų91144.8 Ų144.862%0.61579%0.786SS**  cis-172.4136.7-18.2-94.60000103.5V166C164-V166 HydrophobicContact CB-CG2 4.04Å
165C36.3Very low33.2Very low143 Ų143151 Ų15197%0.96679%0.794SS**  trans-118.492.1146.8-78.10000106.4
166V38.1Very low33.5Very low121 Ų121146 Ų14673%0.73378%0.781SS**PPolyproline II helixtrans-61.7130.6173.8177.50000108.6C164C164-V166 HydrophobicContact CB-CG2 4.04Å
167R37.3Very low34Very low228 Ų228144.4 Ų144.486%0.8677%0.768SS**PPolyproline II helixtrans-69.9128171.4-149.9173.3-168.6169.81.7107.7
168P32.6Very low34.7Very low100 Ų100149.5 Ų149.565%0.64977%0.773SS**PPolyproline II helixtrans-61.7149.6175.5-2.310.2000110.1V170P168-V170 PolarHBondContact O-N 2.97Å
169P30.8Very low35.2Very low130 Ų130147.4 Ų147.484%0.84477%0.767SS**PPolyproline II helixtrans-67.8117.7176.213.6-3.2000108.2E171P169-E171 PolarHBondContact O-N 3.31Å
170V37.8Very low35.8Very low131 Ų131146.4 Ų146.479%0.79477%0.765SS**  trans-82114168.6-174.30000106.3P168 R172P168-V170 PolarHBondContact O-N 2.97Å; V170-R172 PolarHBondContact O-N 3.16Å; V170-R172 VanDerWaalsContact O-N 3.14Å
171E31.3Very low36.4Very low156 Ų156146.6 Ų146.673%0.72977%0.767SS**  trans-55.3118.9166.1-75.7-178161.600108.6P169 F173P169-E171 PolarHBondContact O-N 3.31Å; E171-F173 HydrophobicContact CB-CE2 4.32Å; E171-F173 PolarHBondContact O-N 3.45Å
172R32Very low37Very low218 Ų218148.9 Ų148.982%0.82377%0.771SS**  trans-74.589.3-178.5-167-177-155.5170.84.2108.2V170 T174V170-R172 PolarHBondContact O-N 3.16Å; V170-R172 VanDerWaalsContact O-N 3.14Å; R172-T174 HydrophobicContact CG-CG2 4.17Å; R172-T174 PolarHBondContact O-N 3.18Å
173F30.7Very low36.3Very low170 Ų170140.3 Ų140.375%0.74676%0.756SS**  trans-69.7100.5163-75.6-82000108.2E171 F175E171-F173 HydrophobicContact CB-CE2 4.32Å; E171-F173 PolarHBondContact O-N 3.45Å; F173-F175 PolarHBondContact O-N 3Å
174T28.2Very low36.4Very low104 Ų104138 Ų13864%0.63875%0.75SS**  trans-76.298.8167.949.40000108.2R172 V176R172-T174 HydrophobicContact CG-CG2 4.17Å; R172-T174 PolarHBondContact O-N 3.18Å; T174-V176 PolarHBondContact O-N 2.69Å
175F30.1Very low36.8Very low199 Ų199140 Ų14087%0.87376%0.759SS**  trans-77.1104.9153.9-96.5-92.6000107F173F173-F175 PolarHBondContact O-N 3Å
176V35.7Very low36.9Very low111 Ų111139.9 Ų139.967%0.67375%0.746SS**  trans-82.4108163.5-173.40000105.1T174 E178T174-V176 PolarHBondContact O-N 2.69Å; V176-E178 HydrophobicContact CG1-CG 3.99Å; V176-E178 PolarHBondContact O-N 3.21Å
177D39.4Very low37.1Very low116 Ų116144.6 Ų144.662%0.6275%0.75SS**  trans-84.999.6165.4-167.6-7000107.5N179 A180D177-N179 PolarHBondContact O-N 3.34Å; D177-N179 VanDerWaalsContact O-N 3.14Å; D177-N179 PolarHBondContact OD1-N 2.73Å; D177-N179 VanDerWaalsContact OD1-N 3.12Å; D177-A180 PolarHBondContact O-N 3.17Å
178E42.7Very low37.6Very low178 Ų178139.5 Ų139.583%0.83273%0.732SS**THydrogen-bonded Turntrans-69.34.1176.4-82.2-173.1149.800113.4V176V176-E178 HydrophobicContact CG1-CG 3.99Å; V176-E178 PolarHBondContact O-N 3.21Å
179N40.3Very low38.6Very low142 Ų142141.4 Ų141.476%0.75973%0.732SS**THydrogen-bonded Turntrans-110.914.8175.1-76.1-28.6000114.9D177 N181D177-N179 PolarHBondContact O-N 3.34Å; D177-N179 VanDerWaalsContact O-N 3.14Å; D177-N179 PolarHBondContact OD1-N 2.73Å; D177-N179 VanDerWaalsContact OD1-N 3.12Å; N179-N181 PolarHBondContact O-N 3.02Å
180A46.1Very low40.1Very low82 Ų82144.4 Ų144.468%0.67874%0.735SS**  trans-74.448.416900000112.3D177 L182D177-A180 PolarHBondContact O-N 3.17Å; A180-L182 PolarHBondContact O-N 3.42Å
181N42.6Very low41.7Very low157 Ų157142.7 Ų142.784%0.8472%0.72SS**  trans-79.865162.4-139.64.3000107.6N179 G183N179-N181 PolarHBondContact O-N 3.02Å; N181-G183 PolarHBondContact O-N 2.7Å
182L48.3Very low44.2Very low147 Ų147140 Ų14077%0.7771%0.708SS**  trans-77.174.4170.4-147.679.2000107.3A180 T184A180-L182 PolarHBondContact O-N 3.42Å; L182-T184 PolarHBondContact O-N 2.78Å
183G34.4Very low46.9Very low56 Ų56132 Ų13258%0.57768%0.681SS**  trans-53.1131.9168.700000109.2N181N181-G183 PolarHBondContact O-N 2.7Å
184T36.8Very low50Low119 Ų119126.8 Ų126.873%0.7366%0.657SS**SBendtrans83.1105.1-175.9-28.20000113.1L182 M186L182-T184 PolarHBondContact O-N 2.78Å; T184-M186 VanDerWaalsContact C-N 3.3Å; T184-M186 PolarHBondContact O-N 3.18Å
185V40.4Very low53.2Low133 Ų133122.1 Ų122.181%0.80663%0.627SS**  trans-42.297.4156176.20000107.9R187V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 2.92Å
186M40Very low56.5Low139 Ų139112.6 Ų112.669%0.68559%0.586SS**  trans-60102.6168.1-73.1-71.2-75.100105.1T184 Y188T184-M186 VanDerWaalsContact C-N 3.3Å; T184-M186 PolarHBondContact O-N 3.18Å; M186-Y188 PolarHBondContact O-N 2.87Å
187R41.6Very low59.5Low221 Ų221107.4 Ų107.483%0.83455%0.554SS**  trans-58.6116.7159.9-69.8-160.5-165.1-176.66.9104.1V185 E189V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 2.92Å; R187-E189 PolarHBondContact O-N 2.99Å
188Y47.9Very low62.3Low120 Ų120102 Ų10247%0.47153%0.525SS..  trans-63.276.6166.1-72.4-92.9000106.8L114 V117 M186 E190L114-Y188 HydrophobicContact CD2-CD1 3.5Å; L114-Y188 VanDerWaalsContact CD2-CD1 3.5Å; L114-Y188 HydrophobicContact CD2-CD2 4.34Å; L114-Y188 HydrophobicContact CD2-CE1 3.74Å; L114-Y188 HydrophobicContact CD2-CG 3.82Å; V117-Y188 HydrophobicContact CG1-CE2 4Å; M186-Y188 PolarHBondContact O-N 2.87Å; Y188-E190 PolarHBondContact O-N 3.24Å
189E52.5Low64.9Low141 Ų14193.7 Ų93.766%0.65949%0.487SS*.  trans-51.1127.7150.8-78.3-176.5166.300105.1R187 I191R187-E189 PolarHBondContact O-N 2.99Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 WeakPolarHBondContact O-CG1 3.37Å; E189-I191 PolarHBondContact O-N 2.89Å
190E63.4Low67.5Low193 Ų19387.1 Ų87.190%0.90245%0.453SS*.  trans-5196.1-172-160.8169.8-162.400109.1Y188 E192Y188-E190 PolarHBondContact O-N 3.24Å; E190-E192 PolarHBondContact O-N 2.81Å
191I70.7Confident69.7Low95 Ų9583.6 Ų83.649%0.48742%0.423SS..  trans-64.7107-176-61.9178.7000106.1H8 E189 L193H8-I191 HydrophobicContact CB-CG2 4.07Å; H8-I191 WeakPolarHBondContact ND1-CG2 3.33Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 WeakPolarHBondContact O-CG1 3.37Å; E189-I191 PolarHBondContact O-N 2.89Å; I191-L193 PolarHBondContact O-N 2.83Å
192E84.2Confident72Confident99 Ų9980 Ų8046%0.46340%0.404SS..  trans-67.3106.5177.1-169.2-165.5177.700108.4T7 H8 E190 R194T7-E192 HydrophobicContact CG2-CB 4.31Å; T7-E192 HydrophobicContact CG2-CG 4.02Å; T7-E192 PolarHBondContact OG1-OE2 2.99Å; H8-E192 PolarHBondContact N-O 3.07Å; E190-E192 PolarHBondContact O-N 2.81Å; E192-R194 HydrophobicContact CG-CG 4.49Å; E192-R194 WeakPolarHBondContact OE1-CD 3.2Å
193L89.4Confident74.2Confident50 Ų5074.9 Ų74.926%0.26238%0.377SS..EExtended strand (participates in β ladder)trans-107.9123178.8178.460.7000110.4H8 I10 I44 M106 I191H8-L193 HydrophobicContact CB-CD1 4.05Å; H8-L193 CarbonylContact O-C 3.55Å; H8-L193 WeakPolarHBondContact O-CA 3.37Å; I10-L193 HydrophobicContact CG1-CD1 4.31Å; I44-L193 HydrophobicContact CD1-CD1 3.55Å; I44-L193 HydrophobicContact CG1-CD1 4.25Å; M106-L193 HydrophobicContact CB-CD2 4.18Å; M106-L193 HydrophobicContact CE-CD2 4.15Å; M106-L193 HydrophobicContact CE-CG 3.94Å; M106-L193 HydrophobicContact CG-CD2 4.31Å; M106-L193 HydrophobicContact SD-CD1 4.31Å; M106-L193 HydrophobicContact SD-CD2 3.71Å; M106-L193 HydrophobicContact SD-CG 3.87Å; I191-L193 PolarHBondContact O-N 2.83Å
194R94.4Very high77.1Confident61 Ų6172.2 Ų72.223%0.2335%0.35CS..EExtended strand (participates in β ladder)trans-123.3152.6179.3-65.8179.461.5-174.9-4.6112.2T7 H8 V9 I10 E192 F225 N253T7-R194 HydrophobicContact CG2-CG 4.06Å; H8-R194 PolarHBondContact O-N 2.86Å; V9-R194 CarbonylContact C-O 3.5Å; V9-R194 VanDerWaalsContact CA-O 3.25Å; V9-R194 WeakPolarHBondContact CA-O 3.46Å; V9-R194 HydrophobicContact CG1-CB 4.35Å; I10-R194 PolarHBondContact N-O 3.28Å; E192-R194 HydrophobicContact CG-CG 4.49Å; E192-R194 WeakPolarHBondContact OE1-CD 3.2Å; R194-F225 PolarHBondContact NH2-O 3.4Å; R194-N253 PolarHBondContact NH2-OD1 3.14Å
195I97.1Very high79.8Confident5 Ų572.1 Ų72.13%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-102.6135.9162.7-72.1155.6000108.1I10 L12 L99 H102 R103 M106 F225I10-I195 HydrophobicContact CB-CG1 4.14Å; I10-I195 WeakPolarHBondContact O-CA 3.42Å; L12-I195 HydrophobicContact CB-CG2 3.88Å; L12-I195 HydrophobicContact CD2-CG2 4.37Å; L99-I195 HydrophobicContact CD2-CG2 3.59Å; H102-I195 HydrophobicContact CB-CD1 3.48Å; H102-I195 VanDerWaalsContact CB-CD1 3.48Å; R103-I195 HydrophobicContact CB-CD1 4.21Å; M106-I195 HydrophobicContact CE-CB 4.42Å; M106-I195 HydrophobicContact CE-CD1 3.35Å; M106-I195 HydrophobicContact CE-CG1 3.4Å; M106-I195 HydrophobicContact CG-CD1 4.19Å; M106-I195 HydrophobicContact SD-CD1 3.59Å; M106-I195 VanDerWaalsContact SD-CD1 3.59Å; M106-I195 HydrophobicContact SD-CG1 3.5Å; M106-I195 WeakPolarHBondContact SD-CG1 3.35Å; I195-F225 HydrophobicContact CB-CD1 4.2Å; I195-F225 HydrophobicContact CB-CE1 4.46Å; I195-F225 HydrophobicContact CG2-CD1 4.41Å
196L98.6Very high82.4Confident0 Ų066.7 Ų66.70%031%0.309CS..EExtended strand (participates in β ladder)trans-118.4137173.3-55174000109V9 I10 L11 L12 L35 L198 F225 V228 M255V9-L196 HydrophobicContact CB-CD1 4.06Å; V9-L196 HydrophobicContact CB-CG 4.41Å; V9-L196 HydrophobicContact CG1-CD1 3.94Å; V9-L196 HydrophobicContact CG1-CG 4.38Å; V9-L196 HydrophobicContact CG2-CD1 4.34Å; I10-L196 PolarHBondContact O-N 3.3Å; L11-L196 HydrophobicContact CD2-CB 4.14Å; L11-L196 HydrophobicContact CD2-CD1 4.33Å; L12-L196 PolarHBondContact N-O 3.12Å; L35-L196 HydrophobicContact CD1-CD1 4.27Å; L196-L198 PolarHBondContact O-N 2.9Å; L196-F225 WeakPolarHBondContact CD2-O 3.47Å; L196-V228 HydrophobicContact CB-CG2 4.03Å; L196-V228 HydrophobicContact CD1-CG2 3.74Å; L196-M255 HydrophobicContact CD1-CE 3.54Å; L196-M255 HydrophobicContact CD2-CE 4.09Å; L196-M255 HydrophobicContact CG-CE 4.42Å
197L98.8Very high85.1Confident1 Ų160.5 Ų60.51%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-72.3122.1170.9179.264.8000109.1L12 T95 L99 L203 I221 G226 I227 V228L12-L197 CarbonylContact O-C 3.53Å; L12-L197 WeakPolarHBondContact O-CA 3.34Å; T95-L197 HydrophobicContact CG2-CD1 3.81Å; T95-L197 HydrophobicContact CG2-CD2 4.01Å; L99-L197 HydrophobicContact CD1-CB 4.29Å; L99-L197 HydrophobicContact CD2-CB 4.24Å; L197-L203 HydrophobicContact CD2-CD2 4.12Å; L197-I221 HydrophobicContact CD2-CG2 3.69Å; L197-G226 PolarHBondContact N-O 3.03Å; L197-I227 HydrophobicContact CB-CG1 4.25Å; L197-I227 HydrophobicContact CD2-CD1 4.17Å; L197-I227 HydrophobicContact CD2-CG1 4.36Å; L197-I227 CarbonylContact O-C 3.59Å; L197-I227 VanDerWaalsContact O-CA 3.29Å; L197-I227 WeakPolarHBondContact O-CA 3.36Å; L197-I227 WeakPolarHBondContact O-CG2 3.34Å; L197-V228 PolarHBondContact O-N 2.79Å
198L98.8Very high87.6Confident2 Ų252.1 Ų52.11%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-98.6124.6174.6174.763.2000109.9L11 L12 A13 M27 F28 A31 L196 V228 V230L11-L198 HydrophobicContact CB-CB 4.31Å; L11-L198 HydrophobicContact CB-CD2 4.34Å; L11-L198 HydrophobicContact CD1-CD2 4.39Å; L12-L198 PolarHBondContact O-N 3.48Å; A13-L198 HydrophobicContact CB-CB 4.34Å; M27-L198 HydrophobicContact CE-CD2 4.34Å; M27-L198 HydrophobicContact CE-CG 4.11Å; M27-L198 HydrophobicContact CG-CD1 3.9Å; M27-L198 HydrophobicContact CG-CD2 4.15Å; M27-L198 HydrophobicContact CG-CG 3.99Å; M27-L198 HydrophobicContact SD-CG 4.37Å; F28-L198 HydrophobicContact CB-CD2 4.22Å; F28-L198 HydrophobicContact CD1-CD2 3.5Å; F28-L198 HydrophobicContact CD2-CD2 3.86Å; F28-L198 HydrophobicContact CE1-CD2 3.7Å; F28-L198 HydrophobicContact CE2-CD2 4.04Å; F28-L198 HydrophobicContact CG-CD2 3.59Å; F28-L198 HydrophobicContact CZ-CD2 3.97Å; A31-L198 HydrophobicContact CB-CD1 3.44Å; A31-L198 VanDerWaalsContact CB-CD1 3.44Å; A31-L198 HydrophobicContact CB-CD2 4.36Å; L196-L198 PolarHBondContact O-N 2.9Å; L198-V228 WeakPolarHBondContact CA-O 3.37Å; L198-V228 HydrophobicContact CD1-CB 4.17Å; L198-V228 HydrophobicContact CD1-CG1 4.17Å; L198-V230 HydrophobicContact CD1-CG2 4.02Å
199C97.3Very high89.8Confident5 Ų550.7 Ų50.73%0.03425%0.252CS..EExtended strand (participates in β ladder)trans-151.1169.4179.873.70000114.6M27 L203 V228 V229 V230M27-C199 VanDerWaalsContact SD-C 3.53Å; C199-L203 HydrophobicContact CB-CB 3.84Å; C199-L203 HydrophobicContact CB-CD1 4.45Å; C199-L203 HydrophobicContact CB-CD2 3.62Å; C199-L203 HydrophobicContact CB-CG 4.16Å; C199-V228 PolarHBondContact N-O 3.28Å; C199-V229 CarbonylContact O-C 3.6Å; C199-V229 WeakPolarHBondContact O-CA 3.39Å; C199-V230 PolarHBondContact O-N 3.34Å
200G94.2Very high91.7Very high4 Ų450 Ų504%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-82.8175.1168.600000112.9D202 L203 L204 V230G200-D202 VanDerWaalsContact C-N 3.28Å; G200-D202 WeakPolarHBondContact CA-OD1 3.43Å; G200-D202 PolarHBondContact O-N 3.05Å; G200-L203 PolarHBondContact O-N 3.09Å; G200-L204 PolarHBondContact O-N 3.29Å; G200-V230 WeakPolarHBondContact CA-O 3.41Å
201S91.6Very high93.2Very high8 Ų844.7 Ų44.76%0.05626%0.257CS..Hα-helixtrans-62.8-31.2174.642.20000113.7L204 E205 R232 A235S201-L204 WeakPolarHBondContact O-CB 3.16Å; S201-L204 PolarHBondContact O-N 2.95Å; S201-E205 WeakPolarHBondContact O-CB 3.48Å; S201-E205 PolarHBondContact O-N 3.17Å; S201-R232 PolarHBondContact OG-N 3.12Å; S201-R232 PolarHBondContact OG-O 3.2Å; S201-A235 VanDerWaalsContact CB-CB 3.42Å; S201-A235 WeakPolarHBondContact OG-CB 3.42Å
202D91.6Very high94.3Very high82 Ų8244.9 Ų44.944%0.43926%0.259SS..Hα-helixtrans-63.8-41.3177.457.1-44000112.9G200 E205 S206 R232G200-D202 VanDerWaalsContact C-N 3.28Å; G200-D202 WeakPolarHBondContact CA-OD1 3.43Å; G200-D202 PolarHBondContact O-N 3.05Å; D202-E205 PolarHBondContact O-N 2.92Å; D202-S206 PolarHBondContact O-N 3.49Å; D202-R232 IonicContact OD1-CZ 3.6Å; D202-R232 IonicContact OD1-NE 3.81Å; D202-R232 IonicContact OD1-NH2 2.78Å; D202-R232 PolarHBondContact OD1-NH2 3.44Å; D202-R232 IonicContact OD2-CZ 2.75Å; D202-R232 IonicContact OD2-NH2 3.85Å; D202-R232 PolarHBondContact OD2-NH2 3.26Å
203L94.3Very high94.9Very high39 Ų3942.3 Ų42.320%0.20425%0.245CC..Hα-helixtrans-70.2-38.9175-171.1134000110.9L197 C199 G200 E205 S206 F207 W213L197-L203 HydrophobicContact CD2-CD2 4.12Å; C199-L203 HydrophobicContact CB-CB 3.84Å; C199-L203 HydrophobicContact CB-CD1 4.45Å; C199-L203 HydrophobicContact CB-CD2 3.62Å; C199-L203 HydrophobicContact CB-CG 4.16Å; G200-L203 PolarHBondContact O-N 3.09Å; L203-E205 VanDerWaalsContact C-N 3.34Å; L203-E205 PolarHBondContact O-N 3.04Å; L203-S206 WeakPolarHBondContact O-CB 3.14Å; L203-S206 PolarHBondContact O-N 3.06Å; L203-S206 PolarHBondContact O-OG 3.48Å; L203-F207 HydrophobicContact CD2-CE2 4.13Å; L203-F207 HydrophobicContact CD2-CZ 4.33Å; L203-W213 HydrophobicContact CD2-CZ2 4.43Å; L203-W213 HydrophobicContact CG-CZ2 4.29Å
204L95.1Very high95.3Very high0 Ų044.6 Ų44.60%026%0.257CS..Hα-helixtrans-60-45.2174-176.872.9000111.3G200 S201 S206 F207 V229 T237 I240 M241 L247 I254G200-L204 PolarHBondContact O-N 3.29Å; S201-L204 WeakPolarHBondContact O-CB 3.16Å; S201-L204 PolarHBondContact O-N 2.95Å; L204-S206 VanDerWaalsContact C-N 3.25Å; L204-S206 PolarHBondContact O-N 3.3Å; L204-F207 HydrophobicContact CD1-CD2 4.26Å; L204-F207 WeakPolarHBondContact O-CB 3.46Å; L204-F207 PolarHBondContact O-N 3.21Å; L204-V229 HydrophobicContact CB-CG1 4.39Å; L204-V229 HydrophobicContact CB-CG2 4.4Å; L204-V229 HydrophobicContact CD1-CG2 4.13Å; L204-V229 HydrophobicContact CD2-CG1 4.2Å; L204-V229 HydrophobicContact CD2-CG2 4.12Å; L204-V229 HydrophobicContact CG-CG2 4.44Å; L204-T237 HydrophobicContact CD2-CG2 4.22Å; L204-I240 HydrophobicContact CD2-CB 4.35Å; L204-I240 HydrophobicContact CD2-CG2 3.99Å; L204-I240 HydrophobicContact CG-CG2 3.84Å; L204-M241 HydrophobicContact CD2-CG 4.45Å; L204-L247 HydrophobicContact CD1-CD1 4.24Å; L204-L247 HydrophobicContact CD1-CD2 4.42Å; L204-I254 HydrophobicContact CD1-CG2 4.41Å
205E94.3Very high95.4Very high117 Ų11748.5 Ų48.555%0.54728%0.278SS..Hα-helixtrans-63-33.3177.2-171.9170.9-157.200112S201 D202 L203 F207 C208 I240S201-E205 WeakPolarHBondContact O-CB 3.48Å; S201-E205 PolarHBondContact O-N 3.17Å; D202-E205 PolarHBondContact O-N 2.92Å; L203-E205 VanDerWaalsContact C-N 3.34Å; L203-E205 PolarHBondContact O-N 3.04Å; E205-F207 PolarHBondContact O-N 2.88Å; E205-C208 WeakPolarHBondContact O-CB 3.48Å; E205-C208 PolarHBondContact O-N 3.37Å; E205-I240 HydrophobicContact CB-CD1 4.04Å; E205-I240 HydrophobicContact CB-CG1 4.47Å; E205-I240 HydrophobicContact CB-CG2 4.46Å; E205-I240 HydrophobicContact CG-CD1 4.48Å
206S95.1Very high95.4Very high18 Ų1851.2 Ų51.213%0.12630%0.301CS..Hα-helixtrans-61.8-24.7178.283.70000113.8D202 L203 L204 C208 I209 W213D202-S206 PolarHBondContact O-N 3.49Å; L203-S206 WeakPolarHBondContact O-CB 3.14Å; L203-S206 PolarHBondContact O-N 3.06Å; L203-S206 PolarHBondContact O-OG 3.48Å; L204-S206 VanDerWaalsContact C-N 3.25Å; L204-S206 PolarHBondContact O-N 3.3Å; S206-C208 PolarHBondContact O-N 3.24Å; S206-I209 WeakPolarHBondContact O-CB 3.49Å; S206-I209 PolarHBondContact O-N 3.06Å; S206-W213 PolarHBondContact O-NE1 3.06Å; S206-W213 PolarHBondContact OG-NE1 2.77Å
207F95.5Very high95.4Very high9 Ų953.1 Ų53.14%0.03931%0.311CS..THydrogen-bonded Turntrans-63.6-17.1172.5-73.8-56.1000113.4L203 L204 E205 W213 M218 I221 I227 L247L203-F207 HydrophobicContact CD2-CE2 4.13Å; L203-F207 HydrophobicContact CD2-CZ 4.33Å; L204-F207 HydrophobicContact CD1-CD2 4.26Å; L204-F207 WeakPolarHBondContact O-CB 3.46Å; L204-F207 PolarHBondContact O-N 3.21Å; E205-F207 PolarHBondContact O-N 2.88Å; F207-W213 HydrophobicContact CD1-CB 4.36Å; F207-W213 AromaticContact CD1-CD1 3.92Å; F207-W213 AromaticContact CD1-CD2 3.59Å; F207-W213 HydrophobicContact CD1-CD2 3.59Å; F207-W213 AromaticContact CD1-CE2 3.74Å; F207-W213 HydrophobicContact CD1-CE3 4.05Å; F207-W213 AromaticContact CD1-CG 3.73Å; F207-W213 HydrophobicContact CD1-CG 3.73Å; F207-W213 HydrophobicContact CD1-CZ2 4.29Å; F207-W213 AromaticContact CD1-NE1 3.92Å; F207-W213 AromaticContact CE1-CD2 3.5Å; F207-W213 HydrophobicContact CE1-CD2 3.5Å; F207-W213 AromaticContact CE1-CE2 3.69Å; F207-W213 AromaticContact CE1-CE3 3.49Å; F207-W213 HydrophobicContact CE1-CE3 3.49Å; F207-W213 VanDerWaalsContact CE1-CE3 3.49Å; F207-W213 HydrophobicContact CE1-CG 4.13Å; F207-W213 AromaticContact CE1-CH2 3.84Å; F207-W213 HydrophobicContact CE1-CH2 3.84Å; F207-W213 AromaticContact CE1-CZ2 3.87Å; F207-W213 HydrophobicContact CE1-CZ2 3.87Å; F207-W213 AromaticContact CE1-CZ3 3.65Å; F207-W213 HydrophobicContact CE1-CZ3 3.65Å; F207-W213 HydrophobicContact CZ-CE3 4.45Å; F207-W213 HydrophobicContact CZ-CH2 4.08Å; F207-W213 HydrophobicContact CZ-CZ2 4.24Å; F207-W213 HydrophobicContact CZ-CZ3 4.2Å; F207-M218 HydrophobicContact CB-CE 3.71Å; F207-M218 HydrophobicContact CD1-CE 3.78Å; F207-M218 HydrophobicContact CD1-CG 3.69Å; F207-M218 HydrophobicContact CD1-SD 3.94Å; F207-M218 HydrophobicContact CE1-CG 3.95Å; F207-M218 HydrophobicContact CG-CE 4.03Å; F207-I221 HydrophobicContact CE1-CD1 4.45Å; F207-I221 HydrophobicContact CZ-CG2 4.18Å; F207-I227 HydrophobicContact CE2-CD1 3.49Å; F207-I227 VanDerWaalsContact CE2-CD1 3.49Å; F207-I227 HydrophobicContact CZ-CD1 3.91Å; F207-L247 HydrophobicContact CB-CD1 4.12Å; F207-L247 HydrophobicContact CB-CD2 4.31Å; F207-L247 HydrophobicContact CB-CG 4.49Å; F207-L247 HydrophobicContact CD2-CD2 4.08Å; F207-L247 HydrophobicContact CG-CD2 4.34Å
208C94.1Very high95.3Very high45 Ų4553.4 Ų53.430%0.30431%0.313SS..THydrogen-bonded Turntrans-90-2.8176.3-62.20000112.9E205 S206 P210E205-C208 WeakPolarHBondContact O-CB 3.48Å; E205-C208 PolarHBondContact O-N 3.37Å; S206-C208 PolarHBondContact O-N 3.24Å; C208-P210 WeakPolarHBondContact O-CD 3.18Å
209I94.8Very high95.3Very high91 Ų9156.8 Ų56.847%0.46733%0.329SS..SBendtrans-83.2115.6179.1-59.5174.5000109.2S206 G211 L212S206-I209 WeakPolarHBondContact O-CB 3.49Å; S206-I209 PolarHBondContact O-N 3.06Å; I209-G211 PolarHBondContact O-N 2.92Å; I209-L212 HydrophobicContact CB-CB 3.92Å; I209-L212 HydrophobicContact CB-CD2 3.95Å; I209-L212 HydrophobicContact CD1-CD2 3.78Å; I209-L212 HydrophobicContact CG1-CD2 4.38Å; I209-L212 HydrophobicContact CG2-CB 3.88Å; I209-L212 HydrophobicContact CG2-CD2 4.23Å; I209-L212 WeakPolarHBondContact O-CB 3.36Å; I209-L212 PolarHBondContact O-N 3.42Å
210P93.4Very high95.3Very high126 Ų12658.1 Ų58.182%0.81834%0.336SS*.THydrogen-bonded Turntrans-59.4131.3-177.5-24.635.1000112.6C208 L212C208-P210 WeakPolarHBondContact O-CD 3.18Å; P210-L212 PolarHBondContact O-N 3.45Å
211G93.6Very high95.5Very high82 Ų8257.9 Ų57.985%0.84533%0.334SS*.THydrogen-bonded Turntrans75.7-3.2177.300000115.5I209I209-G211 PolarHBondContact O-N 2.92Å
212L94.6Very high95.8Very high99 Ų9957.5 Ų57.552%0.51833%0.332SS..THydrogen-bonded Turntrans-76.5-35.7176.4-177.361.3000112.2I209 P210I209-L212 HydrophobicContact CB-CB 3.92Å; I209-L212 HydrophobicContact CB-CD2 3.95Å; I209-L212 HydrophobicContact CD1-CD2 3.78Å; I209-L212 HydrophobicContact CG1-CD2 4.38Å; I209-L212 HydrophobicContact CG2-CB 3.88Å; I209-L212 HydrophobicContact CG2-CD2 4.23Å; I209-L212 WeakPolarHBondContact O-CB 3.36Å; I209-L212 PolarHBondContact O-N 3.42Å; P210-L212 PolarHBondContact O-N 3.45Å
213W96.8Very high96Very high45 Ų4554.5 Ų54.517%0.1732%0.32CS..SBendtrans-118.2139.7179.7-67.186.7000110.1L203 S206 F207 M218 I221L203-W213 HydrophobicContact CD2-CZ2 4.43Å; L203-W213 HydrophobicContact CG-CZ2 4.29Å; S206-W213 PolarHBondContact O-NE1 3.06Å; S206-W213 PolarHBondContact OG-NE1 2.77Å; F207-W213 HydrophobicContact CD1-CB 4.36Å; F207-W213 AromaticContact CD1-CD1 3.92Å; F207-W213 AromaticContact CD1-CD2 3.59Å; F207-W213 HydrophobicContact CD1-CD2 3.59Å; F207-W213 AromaticContact CD1-CE2 3.74Å; F207-W213 HydrophobicContact CD1-CE3 4.05Å; F207-W213 AromaticContact CD1-CG 3.73Å; F207-W213 HydrophobicContact CD1-CG 3.73Å; F207-W213 HydrophobicContact CD1-CZ2 4.29Å; F207-W213 AromaticContact CD1-NE1 3.92Å; F207-W213 AromaticContact CE1-CD2 3.5Å; F207-W213 HydrophobicContact CE1-CD2 3.5Å; F207-W213 AromaticContact CE1-CE2 3.69Å; F207-W213 AromaticContact CE1-CE3 3.49Å; F207-W213 HydrophobicContact CE1-CE3 3.49Å; F207-W213 VanDerWaalsContact CE1-CE3 3.49Å; F207-W213 HydrophobicContact CE1-CG 4.13Å; F207-W213 AromaticContact CE1-CH2 3.84Å; F207-W213 HydrophobicContact CE1-CH2 3.84Å; F207-W213 AromaticContact CE1-CZ2 3.87Å; F207-W213 HydrophobicContact CE1-CZ2 3.87Å; F207-W213 AromaticContact CE1-CZ3 3.65Å; F207-W213 HydrophobicContact CE1-CZ3 3.65Å; F207-W213 HydrophobicContact CZ-CE3 4.45Å; F207-W213 HydrophobicContact CZ-CH2 4.08Å; F207-W213 HydrophobicContact CZ-CZ2 4.24Å; F207-W213 HydrophobicContact CZ-CZ3 4.2Å; W213-M218 HydrophobicContact CB-CG 3.67Å; W213-M218 HydrophobicContact CB-SD 3.49Å; W213-M218 WeakPolarHBondContact CB-SD 3.48Å; W213-M218 HydrophobicContact CG-CG 4.36Å; W213-M218 HydrophobicContact CG-SD 4.32Å; W213-I221 HydrophobicContact CE3-CD1 4.21Å; W213-I221 HydrophobicContact CZ3-CD1 3.75Å
214N97.1Very high96.2Very high98 Ų9857.6 Ų57.652%0.52434%0.337SS..  trans-71.1129.4167.7179.7-73.1000108.9A216 D217 M218N214-A216 VanDerWaalsContact C-N 3.33Å; N214-A216 PolarHBondContact O-N 2.77Å; N214-A216 WeakPolarHBondContact OD1-CA 3.44Å; N214-A216 VanDerWaalsContact OD1-CB 3.32Å; N214-A216 WeakPolarHBondContact OD1-CB 3.48Å; N214-A216 PolarHBondContact OD1-N 2.87Å; N214-D217 HydrophobicContact CB-CB 4.11Å; N214-D217 WeakPolarHBondContact O-CB 3.28Å; N214-D217 PolarHBondContact O-N 2.65Å; N214-D217 PolarHBondContact OD1-N 3.41Å; N214-M218 WeakPolarHBondContact O-CG 3.2Å; N214-M218 PolarHBondContact O-N 3.31Å
215E96.4Very high96.3Very high143 Ų14357.9 Ų57.967%0.66834%0.338SS*.Hα-helixtrans-65.1-33.3-175.4-68.4-170.5176.500113.3M218 E219 I246E215-M218 WeakPolarHBondContact O-CB 3.47Å; E215-M218 PolarHBondContact O-N 3.38Å; E215-E219 WeakPolarHBondContact O-CG 3.22Å; E215-E219 PolarHBondContact O-N 3.46Å; E215-I246 HydrophobicContact CB-CD1 3.95Å; E215-I246 HydrophobicContact CG-CD1 4.19Å
216A97.7Very high96.5Very high61 Ų6152.3 Ų52.350%0.50431%0.312SS..Hα-helixtrans-68.9-41.4176.200000111.2N214 M218 E219 V220N214-A216 VanDerWaalsContact C-N 3.33Å; N214-A216 PolarHBondContact O-N 2.77Å; N214-A216 WeakPolarHBondContact OD1-CA 3.44Å; N214-A216 VanDerWaalsContact OD1-CB 3.32Å; N214-A216 WeakPolarHBondContact OD1-CB 3.48Å; N214-A216 PolarHBondContact OD1-N 2.87Å; A216-M218 VanDerWaalsContact C-N 3.28Å; A216-M218 PolarHBondContact O-N 3.18Å; A216-E219 PolarHBondContact O-N 2.82Å; A216-V220 WeakPolarHBondContact O-CG2 3.24Å; A216-V220 PolarHBondContact O-N 3.05Å
217D97.9Very high96.6Very high40 Ų4051.4 Ų51.421%0.21431%0.306CS..Hα-helixtrans-59.6-41.8171.2-82.410.6000110.7T94 C96 N214 V220 I221T94-D217 WeakPolarHBondContact CB-OD2 3.43Å; T94-D217 PolarHBondContact OG1-OD2 3.2Å; C96-D217 HydrophobicContact CB-CB 3.78Å; C96-D217 VanDerWaalsContact CB-CG 3.48Å; N214-D217 HydrophobicContact CB-CB 4.11Å; N214-D217 WeakPolarHBondContact O-CB 3.28Å; N214-D217 PolarHBondContact O-N 2.65Å; N214-D217 PolarHBondContact OD1-N 3.41Å; D217-V220 PolarHBondContact O-N 3.25Å; D217-I221 WeakPolarHBondContact O-CB 3.42Å; D217-I221 WeakPolarHBondContact O-CD1 3.24Å; D217-I221 WeakPolarHBondContact O-CG1 3.41Å; D217-I221 PolarHBondContact O-N 2.71Å
218M97.6Very high96.7Very high8 Ų851 Ų514%0.03930%0.304CS..Hα-helixtrans-60.5-46.7175.7-70.2177.356.900111.8F207 W213 N214 E215 A216 V220 I221 V222 I246F207-M218 HydrophobicContact CB-CE 3.71Å; F207-M218 HydrophobicContact CD1-CE 3.78Å; F207-M218 HydrophobicContact CD1-CG 3.69Å; F207-M218 HydrophobicContact CD1-SD 3.94Å; F207-M218 HydrophobicContact CE1-CG 3.95Å; F207-M218 HydrophobicContact CG-CE 4.03Å; W213-M218 HydrophobicContact CB-CG 3.67Å; W213-M218 HydrophobicContact CB-SD 3.49Å; W213-M218 WeakPolarHBondContact CB-SD 3.48Å; W213-M218 HydrophobicContact CG-CG 4.36Å; W213-M218 HydrophobicContact CG-SD 4.32Å; N214-M218 WeakPolarHBondContact O-CG 3.2Å; N214-M218 PolarHBondContact O-N 3.31Å; E215-M218 WeakPolarHBondContact O-CB 3.47Å; E215-M218 PolarHBondContact O-N 3.38Å; A216-M218 VanDerWaalsContact C-N 3.28Å; A216-M218 PolarHBondContact O-N 3.18Å; M218-V220 VanDerWaalsContact C-N 3.28Å; M218-V220 PolarHBondContact O-N 3.5Å; M218-I221 PolarHBondContact O-N 2.69Å; M218-V222 WeakPolarHBondContact O-CG2 3.31Å; M218-V222 PolarHBondContact O-N 3.49Å; M218-I246 HydrophobicContact CB-CD1 4.27Å; M218-I246 HydrophobicContact CB-CG2 4.32Å; M218-I246 HydrophobicContact CE-CB 4.44Å; M218-I246 HydrophobicContact CE-CD1 4.32Å
219E97.8Very high96.9Very high73 Ų7348.9 Ų48.934%0.34129%0.289SS..Hα-helixtrans-57.9-40.8177.5-70.1-141.4138.200111.8E215 A216 G223 I246 K249 Y250E215-E219 WeakPolarHBondContact O-CG 3.22Å; E215-E219 PolarHBondContact O-N 3.46Å; A216-E219 PolarHBondContact O-N 2.82Å; E219-G223 WeakPolarHBondContact O-CA 3.36Å; E219-G223 PolarHBondContact O-N 2.74Å; E219-I246 HydrophobicContact CG-CD1 4.14Å; E219-I246 HydrophobicContact CG-CG1 4.39Å; E219-I246 HydrophobicContact CG-CG2 4.23Å; E219-K249 IonicContact OE1-NZ 3.89Å; E219-K249 PolarHBondContact OE1-NZ 3.25Å; E219-K249 IonicContact OE2-NZ 2.74Å; E219-Y250 HydrophobicContact CG-CE2 4.47Å
220V98.3Very high96.9Very high32 Ų3244.5 Ų44.519%0.19427%0.267CS..Hα-helixtrans-66.6-47.5175.31740000111.1A216 D217 M218 V222 D224 F225A216-V220 WeakPolarHBondContact O-CG2 3.24Å; A216-V220 PolarHBondContact O-N 3.05Å; D217-V220 PolarHBondContact O-N 3.25Å; M218-V220 VanDerWaalsContact C-N 3.28Å; M218-V220 PolarHBondContact O-N 3.5Å; V220-V222 PolarHBondContact O-N 3.01Å; V220-D224 HydrophobicContact CG1-CB 4.38Å; V220-D224 WeakPolarHBondContact O-CB 3.46Å; V220-D224 PolarHBondContact O-N 2.98Å; V220-F225 HydrophobicContact CG1-CD2 3.95Å; V220-F225 HydrophobicContact CG1-CE2 3.67Å; V220-F225 WeakPolarHBondContact O-CD2 3.39Å; V220-F225 PolarHBondContact O-N 3.13Å
221I98.4Very high96.7Very high0 Ų039.6 Ų39.60%024%0.235CC..Iπ-helixtrans-60-50.4-178.2-67163.8000111.2T95 C96 L99 L197 F207 W213 D217 M218 F225 G226 I227T95-I221 HydrophobicContact CG2-CD1 4.5Å; C96-I221 HydrophobicContact CB-CD1 4.11Å; C96-I221 HydrophobicContact CB-CG1 4.08Å; L99-I221 HydrophobicContact CD1-CB 4.4Å; L99-I221 HydrophobicContact CD1-CG1 3.83Å; L99-I221 HydrophobicContact CD1-CG2 4.09Å; L197-I221 HydrophobicContact CD2-CG2 3.69Å; F207-I221 HydrophobicContact CE1-CD1 4.45Å; F207-I221 HydrophobicContact CZ-CG2 4.18Å; W213-I221 HydrophobicContact CE3-CD1 4.21Å; W213-I221 HydrophobicContact CZ3-CD1 3.75Å; D217-I221 WeakPolarHBondContact O-CB 3.42Å; D217-I221 WeakPolarHBondContact O-CD1 3.24Å; D217-I221 WeakPolarHBondContact O-CG1 3.41Å; D217-I221 PolarHBondContact O-N 2.71Å; M218-I221 PolarHBondContact O-N 2.69Å; I221-F225 WeakPolarHBondContact O-CB 3.42Å; I221-G226 PolarHBondContact O-N 3.14Å; I221-I227 HydrophobicContact CG2-CD1 3.9Å; I221-I227 HydrophobicContact CG2-CG1 4.12Å
222V97.3Very high95.9Very high0 Ų039.3 Ų39.30%021%0.209CC..Iπ-helixtrans-86.8-23.7-178-64.60000113.6M218 V220 I227 I246 L247 Y250 N253 I254M218-V222 WeakPolarHBondContact O-CG2 3.31Å; M218-V222 PolarHBondContact O-N 3.49Å; V220-V222 PolarHBondContact O-N 3.01Å; V222-I227 HydrophobicContact CG1-CD1 3.46Å; V222-I227 VanDerWaalsContact CG1-CD1 3.46Å; V222-I227 HydrophobicContact CG1-CG1 3.98Å; V222-I246 HydrophobicContact CG2-CG2 3.56Å; V222-L247 HydrophobicContact CG1-CD2 3.85Å; V222-Y250 HydrophobicContact CG2-CD2 3.56Å; V222-Y250 HydrophobicContact CG2-CE2 4.42Å; V222-Y250 HydrophobicContact CG2-CG 3.92Å; V222-N253 VanDerWaalsContact O-CB 3.31Å; V222-N253 WeakPolarHBondContact O-CB 3.41Å; V222-N253 PolarHBondContact O-ND2 3Å; V222-I254 HydrophobicContact CG1-CD1 4.33Å; V222-I254 HydrophobicContact CG1-CG1 4.45Å
223G97.1Very high94.7Very high18 Ų1840.5 Ų40.519%0.18622%0.215CC..Iπ-helixtrans-86.2-54.9-178.300000112.8E219 Y250 N253E219-G223 WeakPolarHBondContact O-CA 3.36Å; E219-G223 PolarHBondContact O-N 2.74Å; G223-Y250 VanDerWaalsContact CA-CD1 3.47Å; G223-N253 PolarHBondContact O-ND2 3.39Å
224D96.7Very high93.4Very high105 Ų10543.6 Ų43.656%0.56125%0.251SS*.Iπ-helixtrans-89.5-39.8-171-63.3-9.5000112.1V220V220-D224 HydrophobicContact CG1-CB 4.38Å; V220-D224 WeakPolarHBondContact O-CB 3.46Å; V220-D224 PolarHBondContact O-N 2.98Å
225F98Very high92.6Very high5 Ų540.4 Ų40.42%0.02224%0.238CC..Iπ-helixtrans-87.7-66.1179.4-67.8-84.2000111.1L99 E100 R103 R194 I195 L196 V220 I221L99-F225 VanDerWaalsContact C-CZ 3.43Å; L99-F225 HydrophobicContact CB-CD1 4.05Å; L99-F225 HydrophobicContact CB-CD2 4.07Å; L99-F225 HydrophobicContact CB-CE1 3.71Å; L99-F225 HydrophobicContact CB-CE2 3.75Å; L99-F225 HydrophobicContact CB-CG 4.21Å; L99-F225 HydrophobicContact CB-CZ 3.56Å; L99-F225 HydrophobicContact CD1-CD2 4.25Å; L99-F225 HydrophobicContact CD1-CG 4.33Å; L99-F225 HydrophobicContact CD2-CD1 4.01Å; L99-F225 HydrophobicContact CD2-CE1 4.38Å; L99-F225 HydrophobicContact CD2-CG 4.22Å; L99-F225 WeakPolarHBondContact O-CE1 3.35Å; L99-F225 WeakPolarHBondContact O-CZ 3.5Å; E100-F225 HydrophobicContact CG-CE2 4.11Å; E100-F225 HydrophobicContact CG-CZ 4.04Å; R103-F225 HydrophobicContact CB-CE1 3.87Å; R103-F225 HydrophobicContact CB-CZ 4.19Å; R103-F225 HydrophobicContact CG-CE1 4.37Å; R103-F225 VanDerWaalsContact CZ-CZ 3.5Å; R103-F225 VanDerWaalsContact NH1-CE2 3.27Å; R194-F225 PolarHBondContact NH2-O 3.4Å; I195-F225 HydrophobicContact CB-CD1 4.2Å; I195-F225 HydrophobicContact CB-CE1 4.46Å; I195-F225 HydrophobicContact CG2-CD1 4.41Å; L196-F225 WeakPolarHBondContact CD2-O 3.47Å; V220-F225 HydrophobicContact CG1-CD2 3.95Å; V220-F225 HydrophobicContact CG1-CE2 3.67Å; V220-F225 WeakPolarHBondContact O-CD2 3.39Å; V220-F225 PolarHBondContact O-N 3.13Å; I221-F225 WeakPolarHBondContact O-CB 3.42Å
226G97.9Very high92.2Very high0 Ų038.1 Ų38.10%023%0.23CC..  trans99.1159.8-169.400000112.1L197 I221 N253L197-G226 PolarHBondContact N-O 3.03Å; I221-G226 PolarHBondContact O-N 3.14Å; G226-N253 VanDerWaalsContact CA-CG 3.47Å; G226-N253 WeakPolarHBondContact CA-ND2 3.5Å; G226-N253 VanDerWaalsContact CA-O 3.25Å; G226-N253 WeakPolarHBondContact CA-O 3.43Å; G226-N253 PolarHBondContact N-ND2 3.34Å
227I97.9Very high91.8Very high0 Ų035.8 Ų35.80%021%0.21CC..EExtended strand (participates in β ladder)trans-127140-173.4-53.1-171.2000109.7L197 F207 I221 V222 V229 N253 I254 M255L197-I227 HydrophobicContact CB-CG1 4.25Å; L197-I227 HydrophobicContact CD2-CD1 4.17Å; L197-I227 HydrophobicContact CD2-CG1 4.36Å; L197-I227 CarbonylContact O-C 3.59Å; L197-I227 VanDerWaalsContact O-CA 3.29Å; L197-I227 WeakPolarHBondContact O-CA 3.36Å; L197-I227 WeakPolarHBondContact O-CG2 3.34Å; F207-I227 HydrophobicContact CE2-CD1 3.49Å; F207-I227 VanDerWaalsContact CE2-CD1 3.49Å; F207-I227 HydrophobicContact CZ-CD1 3.91Å; I221-I227 HydrophobicContact CG2-CD1 3.9Å; I221-I227 HydrophobicContact CG2-CG1 4.12Å; V222-I227 HydrophobicContact CG1-CD1 3.46Å; V222-I227 VanDerWaalsContact CG1-CD1 3.46Å; V222-I227 HydrophobicContact CG1-CG1 3.98Å; I227-V229 HydrophobicContact CG2-CG2 3.66Å; I227-N253 PolarHBondContact N-O 3.36Å; I227-I254 WeakPolarHBondContact O-CA 3.48Å; I227-M255 PolarHBondContact O-N 3.43Å
228V98.3Very high91.4Very high0 Ų037.6 Ų37.60%022%0.22CC..EExtended strand (participates in β ladder)trans-110.3117.3166-174.80000107.8L11 A31 L35 L196 L197 L198 C199 M255 V257L11-V228 HydrophobicContact CD2-CG2 4.03Å; A31-V228 HydrophobicContact CB-CG1 3.75Å; L35-V228 HydrophobicContact CD1-CG2 4.02Å; L35-V228 HydrophobicContact CD2-CG2 4.34Å; L196-V228 HydrophobicContact CB-CG2 4.03Å; L196-V228 HydrophobicContact CD1-CG2 3.74Å; L197-V228 PolarHBondContact O-N 2.79Å; L198-V228 WeakPolarHBondContact CA-O 3.37Å; L198-V228 HydrophobicContact CD1-CB 4.17Å; L198-V228 HydrophobicContact CD1-CG1 4.17Å; C199-V228 PolarHBondContact N-O 3.28Å; V228-M255 CarbonylContact C-O 3.33Å; V228-M255 WeakPolarHBondContact CA-O 3.49Å; V228-M255 HydrophobicContact CG2-CB 4.41Å; V228-M255 HydrophobicContact CG2-CE 3.96Å; V228-V257 HydrophobicContact CG1-CG2 3.84Å
229V97Very high91.1Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-106.4122.8-176.2-175.50000108.7C199 L204 I227 P231 T237 I254 M255 V256 V257C199-V229 CarbonylContact O-C 3.6Å; C199-V229 WeakPolarHBondContact O-CA 3.39Å; L204-V229 HydrophobicContact CB-CG1 4.39Å; L204-V229 HydrophobicContact CB-CG2 4.4Å; L204-V229 HydrophobicContact CD1-CG2 4.13Å; L204-V229 HydrophobicContact CD2-CG1 4.2Å; L204-V229 HydrophobicContact CD2-CG2 4.12Å; L204-V229 HydrophobicContact CG-CG2 4.44Å; I227-V229 HydrophobicContact CG2-CG2 3.66Å; V229-P231 WeakPolarHBondContact O-CD 3.45Å; V229-T237 HydrophobicContact CG1-CG2 4.34Å; V229-I254 HydrophobicContact CG2-CG2 3.97Å; V229-M255 PolarHBondContact N-O 3.42Å; V229-V256 HydrophobicContact CB-CG2 4.46Å; V229-V257 PolarHBondContact O-N 3.02Å
230V94.6Very high90.8Very high0 Ų042.2 Ų42.20%023%0.234CC..EExtended strand (participates in β ladder)trans-103101.6169.2-175.80000107.8M27 R30 A31 L198 C199 G200 R232 V257 M265M27-V230 HydrophobicContact CG-CB 3.83Å; M27-V230 HydrophobicContact CG-CG1 4.48Å; M27-V230 HydrophobicContact CG-CG2 3.7Å; R30-V230 HydrophobicContact CB-CG1 4.39Å; A31-V230 HydrophobicContact CB-CG2 4.15Å; L198-V230 HydrophobicContact CD1-CG2 4.02Å; C199-V230 PolarHBondContact O-N 3.34Å; G200-V230 WeakPolarHBondContact CA-O 3.41Å; V230-R232 PolarHBondContact O-N 2.65Å; V230-V257 HydrophobicContact CG2-CB 4.18Å; V230-V257 HydrophobicContact CG2-CG2 3.84Å; V230-M265 HydrophobicContact CG1-CE 3.94Å; V230-M265 HydrophobicContact CG1-SD 4.08Å
231P89.8Confident90.5Very high23 Ų2340.9 Ų40.915%0.14923%0.226CC..  trans-59.9140.9-175.7-22.734.3000111.9V229 T237 V256 V257V229-P231 WeakPolarHBondContact O-CD 3.45Å; P231-T237 HydrophobicContact CB-CG2 4.41Å; P231-T237 HydrophobicContact CG-CG2 3.97Å; P231-V256 HydrophobicContact CG-CG1 3.62Å; P231-V257 WeakPolarHBondContact CD-O 3.49Å
232R77.3Confident90.2Very high76 Ų7644.7 Ų44.729%0.28725%0.247SC..  trans-109145.4166.4-67.8-170-78.9-173.5-5.7108.8S201 D202 V230 A234 A235 M265S201-R232 PolarHBondContact OG-N 3.12Å; S201-R232 PolarHBondContact OG-O 3.2Å; D202-R232 IonicContact OD1-CZ 3.6Å; D202-R232 IonicContact OD1-NE 3.81Å; D202-R232 IonicContact OD1-NH2 2.78Å; D202-R232 PolarHBondContact OD1-NH2 3.44Å; D202-R232 IonicContact OD2-CZ 2.75Å; D202-R232 IonicContact OD2-NH2 3.85Å; D202-R232 PolarHBondContact OD2-NH2 3.26Å; V230-R232 PolarHBondContact O-N 2.65Å; R232-A234 PolarHBondContact O-N 3.48Å; R232-A235 WeakPolarHBondContact O-CB 3.46Å; R232-A235 PolarHBondContact O-N 2.75Å; R232-M265 HydrophobicContact CG-CE 3.47Å; R232-M265 VanDerWaalsContact CG-CE 3.47Å
233D68.6Low89.9Confident123 Ų12350.6 Ų50.666%0.65827%0.274SS*.THydrogen-bonded Turntrans53.255.6166-55.7-34.7000115.5A235D233-A235 PolarHBondContact O-N 3.38Å
234A70.3Confident89.7Confident111 Ų11150.4 Ų50.492%0.91727%0.27SS*.THydrogen-bonded Turntrans52.626.2175.700000115.1R232 D236R232-A234 PolarHBondContact O-N 3.48Å; A234-D236 PolarHBondContact O-N 3.2Å
235A80.4Confident89.7Confident31 Ų3149.2 Ų49.226%0.25627%0.269SS..  trans-59.5131179.700000112.1S201 R232 D233 T237S201-A235 VanDerWaalsContact CB-CB 3.42Å; S201-A235 WeakPolarHBondContact OG-CB 3.42Å; R232-A235 WeakPolarHBondContact O-CB 3.46Å; R232-A235 PolarHBondContact O-N 2.75Å; D233-A235 PolarHBondContact O-N 3.38Å; A235-T237 PolarHBondContact O-N 3.18Å; A235-T237 VanDerWaalsContact O-N 3.11Å
236D87.3Confident89.6Confident94 Ų9449.4 Ų49.450%0.50327%0.271SS..  trans-81.986.7175-174.3-14.1000110.2A234 D238 R239 I240A234-D236 PolarHBondContact O-N 3.2Å; D236-D238 VanDerWaalsContact C-N 3.26Å; D236-D238 PolarHBondContact O-N 2.95Å; D236-D238 PolarHBondContact OD1-N 3.31Å; D236-R239 HydrophobicContact CB-CB 3.95Å; D236-R239 WeakPolarHBondContact O-CB 3.29Å; D236-R239 PolarHBondContact O-N 3.28Å; D236-R239 PolarHBondContact OD1-N 3.5Å; D236-R239 WeakPolarHBondContact OD2-CB 3.3Å; D236-I240 WeakPolarHBondContact O-CG1 3.13Å; D236-I240 PolarHBondContact O-N 3.12Å; D236-I240 VanDerWaalsContact O-N 3.11Å
237T88.9Confident89.5Confident13 Ų1349.4 Ų49.48%0.0827%0.271CS..Hα-helixtrans-64.2-30.3-179.552.10000113.1L204 V229 P231 A235 I240 M241 V256L204-T237 HydrophobicContact CD2-CG2 4.22Å; V229-T237 HydrophobicContact CG1-CG2 4.34Å; P231-T237 HydrophobicContact CB-CG2 4.41Å; P231-T237 HydrophobicContact CG-CG2 3.97Å; A235-T237 PolarHBondContact O-N 3.18Å; A235-T237 VanDerWaalsContact O-N 3.11Å; T237-I240 PolarHBondContact O-N 3.16Å; T237-M241 WeakPolarHBondContact O-CE 3.17Å; T237-M241 WeakPolarHBondContact O-CG 3.39Å; T237-M241 PolarHBondContact O-N 3.45Å; T237-V256 HydrophobicContact CG2-CG1 3.94Å; T237-V256 HydrophobicContact CG2-CG2 4.3Å
238D90.7Very high89.4Confident78 Ų7855.7 Ų55.742%0.41729%0.294SS..Hα-helixtrans-68.3-41.8177.8-84.2-55.3000110.8D236 M241 N242 K251D236-D238 VanDerWaalsContact C-N 3.26Å; D236-D238 PolarHBondContact O-N 2.95Å; D236-D238 PolarHBondContact OD1-N 3.31Å; D238-M241 PolarHBondContact O-N 3.41Å; D238-N242 WeakPolarHBondContact O-CB 3.32Å; D238-N242 VanDerWaalsContact O-CG 3.28Å; D238-N242 PolarHBondContact O-N 3.34Å; D238-N242 VanDerWaalsContact O-N 3.14Å; D238-N242 PolarHBondContact O-ND2 3.38Å; D238-N242 VanDerWaalsContact O-ND2 3.11Å; D238-K251 IonicContact OD1-NZ 2.75Å; D238-K251 PolarHBondContact OD1-NZ 3.46Å
239R91.8Very high89.4Confident162 Ų16261.7 Ų61.761%0.61132%0.32SS*.Hα-helixtrans-58-50.1170.7-176.8179.5174.3-171.3-2.3110.8D236 M241 N242 H243D236-R239 HydrophobicContact CB-CB 3.95Å; D236-R239 WeakPolarHBondContact O-CB 3.29Å; D236-R239 PolarHBondContact O-N 3.28Å; D236-R239 PolarHBondContact OD1-N 3.5Å; D236-R239 WeakPolarHBondContact OD2-CB 3.3Å; R239-M241 PolarHBondContact O-N 3.36Å; R239-N242 PolarHBondContact O-N 2.92Å; R239-N242 VanDerWaalsContact O-N 3.16Å; R239-H243 WeakPolarHBondContact CG-CE1 3.47Å; R239-H243 PolarHBondContact O-N 3Å; R239-H243 PolarHBondContact O-ND1 2.9Å
240I90.7Very high89.4Confident16 Ų1664.5 Ų64.58%0.08233%0.331CS..Hα-helixtrans-56.7-50.5-179.4-64.9164.4000111L204 E205 D236 T237 N242 H243 L247L204-I240 HydrophobicContact CD2-CB 4.35Å; L204-I240 HydrophobicContact CD2-CG2 3.99Å; L204-I240 HydrophobicContact CG-CG2 3.84Å; E205-I240 HydrophobicContact CB-CD1 4.04Å; E205-I240 HydrophobicContact CB-CG1 4.47Å; E205-I240 HydrophobicContact CB-CG2 4.46Å; E205-I240 HydrophobicContact CG-CD1 4.48Å; D236-I240 WeakPolarHBondContact O-CG1 3.13Å; D236-I240 PolarHBondContact O-N 3.12Å; D236-I240 VanDerWaalsContact O-N 3.11Å; T237-I240 PolarHBondContact O-N 3.16Å; I240-N242 PolarHBondContact O-N 3.26Å; I240-H243 PolarHBondContact O-N 2.86Å; I240-H243 VanDerWaalsContact O-N 3.08Å; I240-L247 HydrophobicContact CG2-CD1 4.39Å
241M92.3Very high89.5Confident4 Ų468.1 Ų68.12%0.0235%0.347CS..Hα-helixtrans-60.9-30.4-179.6-72.1-176.4-72.100113.1L204 T237 D238 R239 L247 R248 K251 I254 V256L204-M241 HydrophobicContact CD2-CG 4.45Å; T237-M241 WeakPolarHBondContact O-CE 3.17Å; T237-M241 WeakPolarHBondContact O-CG 3.39Å; T237-M241 PolarHBondContact O-N 3.45Å; D238-M241 PolarHBondContact O-N 3.41Å; R239-M241 PolarHBondContact O-N 3.36Å; M241-L247 HydrophobicContact CB-CB 4.47Å; M241-R248 PolarHBondContact O-N 3.39Å; M241-K251 HydrophobicContact SD-CD 4.49Å; M241-K251 HydrophobicContact SD-CG 4Å; M241-I254 HydrophobicContact CG-CD1 4.31Å; M241-I254 HydrophobicContact SD-CB 4.1Å; M241-I254 HydrophobicContact SD-CD1 4.19Å; M241-I254 HydrophobicContact SD-CG2 3.86Å; M241-V256 HydrophobicContact CE-CG2 4.13Å
242N92.3Very high89.7Confident80 Ų8075 Ų7543%0.42838%0.382SS..Hα-helixtrans-77.4-19178.8-73.8-30.4000113.9D238 R239 I240 R248D238-N242 WeakPolarHBondContact O-CB 3.32Å; D238-N242 VanDerWaalsContact O-CG 3.28Å; D238-N242 PolarHBondContact O-N 3.34Å; D238-N242 VanDerWaalsContact O-N 3.14Å; D238-N242 PolarHBondContact O-ND2 3.38Å; D238-N242 VanDerWaalsContact O-ND2 3.11Å; R239-N242 PolarHBondContact O-N 2.92Å; R239-N242 VanDerWaalsContact O-N 3.16Å; I240-N242 PolarHBondContact O-N 3.26Å; N242-R248 PolarHBondContact O-NH1 3.45Å
243H91.2Very high90.6Very high124 Ų12472.6 Ų72.657%0.57438%0.375SS*.Hα-helixtrans-76-27.7179.3-77.370.4000113R239 I240R239-H243 WeakPolarHBondContact CG-CE1 3.47Å; R239-H243 PolarHBondContact O-N 3Å; R239-H243 PolarHBondContact O-ND1 2.9Å; I240-H243 PolarHBondContact O-N 2.86Å; I240-H243 VanDerWaalsContact O-N 3.08Å
244S92.8Very high92Very high14 Ų1467.3 Ų67.310%0.09835%0.347CS..  trans-104.1130.6178.1169.90000111.1I246 L247 R248S244-I246 VanDerWaalsContact C-N 3.3Å; S244-I246 PolarHBondContact O-N 3.11Å; S244-I246 PolarHBondContact OG-N 3.42Å; S244-L247 PolarHBondContact O-N 3.28Å; S244-L247 PolarHBondContact OG-N 3.08Å; S244-R248 VanDerWaalsContact O-CB 3.3Å; S244-R248 WeakPolarHBondContact O-CB 3.5Å; S244-R248 PolarHBondContact O-N 3.32Å
245S95.2Very high93.3Very high79 Ų7962.7 Ų62.755%0.55231%0.307SS*.Hα-helixtrans-61.5-39.1174.751.60000111.9K249S245-K249 VanDerWaalsContact O-CB 3.29Å; S245-K249 WeakPolarHBondContact O-CB 3.39Å; S245-K249 PolarHBondContact O-N 3.13Å
246I96.5Very high94Very high10 Ų1062.2 Ų62.25%0.05130%0.301CS..Hα-helixtrans-67.5-49.4178.6-63173.7000110.3E215 M218 E219 V222 S244 R248 K249 Y250E215-I246 HydrophobicContact CB-CD1 3.95Å; E215-I246 HydrophobicContact CG-CD1 4.19Å; M218-I246 HydrophobicContact CB-CD1 4.27Å; M218-I246 HydrophobicContact CB-CG2 4.32Å; M218-I246 HydrophobicContact CE-CB 4.44Å; M218-I246 HydrophobicContact CE-CD1 4.32Å; E219-I246 HydrophobicContact CG-CD1 4.14Å; E219-I246 HydrophobicContact CG-CG1 4.39Å; E219-I246 HydrophobicContact CG-CG2 4.23Å; V222-I246 HydrophobicContact CG2-CG2 3.56Å; S244-I246 VanDerWaalsContact C-N 3.3Å; S244-I246 PolarHBondContact O-N 3.11Å; S244-I246 PolarHBondContact OG-N 3.42Å; I246-R248 VanDerWaalsContact C-N 3.28Å; I246-R248 PolarHBondContact O-N 3.02Å; I246-K249 WeakPolarHBondContact O-CB 3.37Å; I246-K249 PolarHBondContact O-N 3.23Å; I246-Y250 HydrophobicContact CG2-CD2 4.07Å; I246-Y250 HydrophobicContact CG2-CE2 4.36Å; I246-Y250 WeakPolarHBondContact O-CD2 3.49Å; I246-Y250 PolarHBondContact O-N 3.39Å
247L96.4Very high94.3Very high0 Ų058 Ų580%028%0.279CS..Hα-helixtrans-60.8-40.5178-61-175.9000111.4L204 F207 V222 I240 M241 S244 Y250 K251 I254L204-L247 HydrophobicContact CD1-CD1 4.24Å; L204-L247 HydrophobicContact CD1-CD2 4.42Å; F207-L247 HydrophobicContact CB-CD1 4.12Å; F207-L247 HydrophobicContact CB-CD2 4.31Å; F207-L247 HydrophobicContact CB-CG 4.49Å; F207-L247 HydrophobicContact CD2-CD2 4.08Å; F207-L247 HydrophobicContact CG-CD2 4.34Å; V222-L247 HydrophobicContact CG1-CD2 3.85Å; I240-L247 HydrophobicContact CG2-CD1 4.39Å; M241-L247 HydrophobicContact CB-CB 4.47Å; S244-L247 PolarHBondContact O-N 3.28Å; S244-L247 PolarHBondContact OG-N 3.08Å; L247-Y250 CarbonylContact O-C 3.46Å; L247-Y250 PolarHBondContact O-N 3.46Å; L247-K251 WeakPolarHBondContact O-CA 3.34Å; L247-K251 PolarHBondContact O-N 2.87Å; L247-I254 HydrophobicContact CB-CD1 4.16Å; L247-I254 HydrophobicContact CD2-CD1 3.96Å
248R96.1Very high94.1Very high131 Ų13165.2 Ų65.249%0.49431%0.308SS..Hα-helixtrans-64.8-42.3176.1-174.3169.861.7-117.70.5112.3M241 N242 S244 I246 Y250 K251M241-R248 PolarHBondContact O-N 3.39Å; N242-R248 PolarHBondContact O-NH1 3.45Å; S244-R248 VanDerWaalsContact O-CB 3.3Å; S244-R248 WeakPolarHBondContact O-CB 3.5Å; S244-R248 PolarHBondContact O-N 3.32Å; I246-R248 VanDerWaalsContact C-N 3.28Å; I246-R248 PolarHBondContact O-N 3.02Å; R248-Y250 VanDerWaalsContact C-N 3.31Å; R248-Y250 PolarHBondContact O-N 3.11Å; R248-K251 PolarHBondContact O-N 3.48Å
249K97.4Very high93.1Very high127 Ų12765.1 Ų65.155%0.55231%0.308SS*.Hα-helixtrans-59.1-41.4177.1177-177.8169.4-166.40111.6E219 S245 I246E219-K249 IonicContact OE1-NZ 3.89Å; E219-K249 PolarHBondContact OE1-NZ 3.25Å; E219-K249 IonicContact OE2-NZ 2.74Å; S245-K249 VanDerWaalsContact O-CB 3.29Å; S245-K249 WeakPolarHBondContact O-CB 3.39Å; S245-K249 PolarHBondContact O-N 3.13Å; I246-K249 WeakPolarHBondContact O-CB 3.37Å; I246-K249 PolarHBondContact O-N 3.23Å
250Y97.1Very high91.5Very high59 Ų5962.3 Ų62.323%0.23131%0.305CS..THydrogen-bonded Turntrans-104.522.6-176.4-63.2-76.3000114.3E219 V222 G223 I246 L247 R248 N252 N253E219-Y250 HydrophobicContact CG-CE2 4.47Å; V222-Y250 HydrophobicContact CG2-CD2 3.56Å; V222-Y250 HydrophobicContact CG2-CE2 4.42Å; V222-Y250 HydrophobicContact CG2-CG 3.92Å; G223-Y250 VanDerWaalsContact CA-CD1 3.47Å; I246-Y250 HydrophobicContact CG2-CD2 4.07Å; I246-Y250 HydrophobicContact CG2-CE2 4.36Å; I246-Y250 WeakPolarHBondContact O-CD2 3.49Å; I246-Y250 PolarHBondContact O-N 3.39Å; L247-Y250 CarbonylContact O-C 3.46Å; L247-Y250 PolarHBondContact O-N 3.46Å; R248-Y250 VanDerWaalsContact C-N 3.31Å; R248-Y250 PolarHBondContact O-N 3.11Å; Y250-N252 PolarHBondContact O-N 3.24Å; Y250-N253 PolarHBondContact O-N 3.36Å
251K95.7Very high89.7Confident76 Ų7669.4 Ų69.433%0.3334%0.342SS..G310 helixtrans-51.6-36.2-175.9-177.4169.8-175.7168.30113.8D238 M241 L247 R248 N253 I254D238-K251 IonicContact OD1-NZ 2.75Å; D238-K251 PolarHBondContact OD1-NZ 3.46Å; M241-K251 HydrophobicContact SD-CD 4.49Å; M241-K251 HydrophobicContact SD-CG 4Å; L247-K251 WeakPolarHBondContact O-CA 3.34Å; L247-K251 PolarHBondContact O-N 2.87Å; R248-K251 PolarHBondContact O-N 3.48Å; K251-N253 PolarHBondContact O-N 3.45Å; K251-I254 PolarHBondContact O-N 3.43Å; K251-I254 VanDerWaalsContact O-N 3.09Å
252N94.9Very high87.6Confident166 Ų16675.6 Ų75.689%0.88838%0.375SS*.G310 helixtrans-67.8-18.4179.8-66.7-20.1000113.9Y250Y250-N252 PolarHBondContact O-N 3.24Å
253N97.1Very high85.7Confident26 Ų2678.4 Ų78.414%0.13939%0.385CS..G310 helixtrans-98.15.2176.2-150.827.2000112.4R194 V222 G223 G226 I227 Y250 K251R194-N253 PolarHBondContact NH2-OD1 3.14Å; V222-N253 VanDerWaalsContact O-CB 3.31Å; V222-N253 WeakPolarHBondContact O-CB 3.41Å; V222-N253 PolarHBondContact O-ND2 3Å; G223-N253 PolarHBondContact O-ND2 3.39Å; G226-N253 VanDerWaalsContact CA-CG 3.47Å; G226-N253 WeakPolarHBondContact CA-ND2 3.5Å; G226-N253 VanDerWaalsContact CA-O 3.25Å; G226-N253 WeakPolarHBondContact CA-O 3.43Å; G226-N253 PolarHBondContact N-ND2 3.34Å; I227-N253 PolarHBondContact N-O 3.36Å; Y250-N253 PolarHBondContact O-N 3.36Å; K251-N253 PolarHBondContact O-N 3.45Å
254I97.2Very high83.9Confident13 Ų1377.8 Ų77.87%0.06739%0.392CS..EExtended strand (participates in β ladder)trans-109108174.7-55.5173000108.1L204 V222 I227 V229 M241 L247 K251L204-I254 HydrophobicContact CD1-CG2 4.41Å; V222-I254 HydrophobicContact CG1-CD1 4.33Å; V222-I254 HydrophobicContact CG1-CG1 4.45Å; I227-I254 WeakPolarHBondContact O-CA 3.48Å; V229-I254 HydrophobicContact CG2-CG2 3.97Å; M241-I254 HydrophobicContact CG-CD1 4.31Å; M241-I254 HydrophobicContact SD-CB 4.1Å; M241-I254 HydrophobicContact SD-CD1 4.19Å; M241-I254 HydrophobicContact SD-CG2 3.86Å; L247-I254 HydrophobicContact CB-CD1 4.16Å; L247-I254 HydrophobicContact CD2-CD1 3.96Å; K251-I254 PolarHBondContact O-N 3.43Å; K251-I254 VanDerWaalsContact O-N 3.09Å
255M96.6Very high82.2Confident13 Ų1378.6 Ų78.66%0.06440%0.395CS..EExtended strand (participates in β ladder)trans-99.2104.6-177.6-71172.3-79.800110.1Y34 L35 F41 L196 I227 V228 V229Y34-M255 HydrophobicContact CE1-CB 4.4Å; L35-M255 HydrophobicContact CD2-CE 4.24Å; L35-M255 HydrophobicContact CD2-SD 3.51Å; L35-M255 VanDerWaalsContact CD2-SD 3.51Å; F41-M255 HydrophobicContact CD2-SD 4.36Å; F41-M255 HydrophobicContact CE2-SD 3.49Å; F41-M255 WeakPolarHBondContact CE2-SD 3.31Å; F41-M255 HydrophobicContact CZ-CE 4.27Å; F41-M255 HydrophobicContact CZ-SD 3.73Å; L196-M255 HydrophobicContact CD1-CE 3.54Å; L196-M255 HydrophobicContact CD2-CE 4.09Å; L196-M255 HydrophobicContact CG-CE 4.42Å; I227-M255 PolarHBondContact O-N 3.43Å; V228-M255 CarbonylContact C-O 3.33Å; V228-M255 WeakPolarHBondContact CA-O 3.49Å; V228-M255 HydrophobicContact CG2-CB 4.41Å; V228-M255 HydrophobicContact CG2-CE 3.96Å; V229-M255 PolarHBondContact N-O 3.42Å
256V95.6Very high80.3Confident22 Ų2276.9 Ų76.913%0.13338%0.383CS..EExtended strand (participates in β ladder)trans-85.8119.4175.6-175.60000109.7Y34 V229 P231 T237 M241 K258Y34-V256 PolarHBondContact OH-O 2.94Å; V229-V256 HydrophobicContact CB-CG2 4.46Å; P231-V256 HydrophobicContact CG-CG1 3.62Å; T237-V256 HydrophobicContact CG2-CG1 3.94Å; T237-V256 HydrophobicContact CG2-CG2 4.3Å; M241-V256 HydrophobicContact CE-CG2 4.13Å; V256-K258 PolarHBondContact O-N 3.47Å
257V93.3Very high78.5Confident6 Ų680 Ų804%0.03640%0.402CS..PPolyproline II helixtrans-69.2119.8173.7177.50000108.7R30 A31 Y34 V228 V229 V230 P231R30-V257 HydrophobicContact CB-CG1 4.35Å; A31-V257 HydrophobicContact CB-CG2 4.5Å; Y34-V257 HydrophobicContact CD1-CB 4.5Å; Y34-V257 HydrophobicContact CD1-CG2 3.83Å; Y34-V257 HydrophobicContact CD2-CB 4.5Å; Y34-V257 HydrophobicContact CD2-CG1 4.22Å; Y34-V257 HydrophobicContact CG-CB 4.21Å; Y34-V257 HydrophobicContact CG-CG1 4.06Å; Y34-V257 HydrophobicContact CG-CG2 3.87Å; V228-V257 HydrophobicContact CG1-CG2 3.84Å; V229-V257 PolarHBondContact O-N 3.02Å; V230-V257 HydrophobicContact CG2-CB 4.18Å; V230-V257 HydrophobicContact CG2-CG2 3.84Å; P231-V257 WeakPolarHBondContact CD-O 3.49Å
258K85.9Confident76.7Confident163 Ų16383.1 Ų83.171%0.70942%0.421SS*.PPolyproline II helixtrans-91.3122.8174.1-61.6-178.4-179.6-178.40107.8V256 D260V256-K258 PolarHBondContact O-N 3.47Å; K258-D260 PolarHBondContact O-N 3.31Å
259D69Low75.5Confident77 Ų7778.3 Ų78.341%0.41241%0.407SS..PPolyproline II helixtrans-65.1133.5176.9-78.3-28.8000110.2R30 I261R30-D259 IonicContact CZ-OD1 2.69Å; R30-D259 IonicContact NH1-OD1 3.59Å; R30-D259 PolarHBondContact NH1-OD1 2.84Å; R30-D259 IonicContact NH1-OD2 3.4Å; D259-I261 PolarHBondContact O-N 2.91Å
260D59.3Low74.2Confident103 Ų10373.1 Ų73.155%0.55139%0.387SS*.PPolyproline II helixtrans-68.7122.5156.7-79.4-40.8000106.3K37 K258 N262 H263K37-D260 IonicContact NZ-OD2 2.71Å; K37-D260 PolarHBondContact NZ-OD2 3.11Å; K258-D260 PolarHBondContact O-N 3.31Å; D260-N262 PolarHBondContact O-N 3.24Å; D260-H263 PolarHBondContact O-N 2.95Å
261I52.5Low73Confident165 Ų16574.5 Ų74.585%0.84640%0.402SS*.THydrogen-bonded Turntrans-48.6-16.4-171.3-63.4168000114D259D259-I261 PolarHBondContact O-N 2.91Å
262N46.9Very low71.6Confident134 Ų13476.4 Ų76.472%0.71741%0.41SS*.THydrogen-bonded Turntrans-88.2-8.3-173.3-66-15.9000116D260D260-N262 PolarHBondContact O-N 3.24Å
263H53Low69.9Low139 Ų13969.8 Ų69.864%0.64438%0.377SS*.  trans-137.779.5-178.8-63.688.8000112.8R30 D260R30-H263 VanDerWaalsContact CZ-O 3.25Å; R30-H263 PolarHBondContact NH1-O 3.38Å; R30-H263 PolarHBondContact NH2-O 2.94Å; D260-H263 PolarHBondContact O-N 2.95Å
264P54.3Low68.2Low111 Ų11170.7 Ų70.772%0.72139%0.385SS*.  trans-61147.8173.624.8-32.4000111.9R30R30-P264 VanDerWaalsContact NH2-C 3.34Å; R30-P264 PolarHBondContact NH2-O 3.18Å
265M56Low66.3Low30 Ų3076.6 Ų76.615%0.14841%0.413CS..  trans-60.7144.7178.2-67.3-107.4-92.200111.2R30 V230 R232 V267R30-M265 VanDerWaalsContact CZ-CG 3.46Å; R30-M265 VanDerWaalsContact NH1-CG 3.35Å; V230-M265 HydrophobicContact CG1-CE 3.94Å; V230-M265 HydrophobicContact CG1-SD 4.08Å; R232-M265 HydrophobicContact CG-CE 3.47Å; R232-M265 VanDerWaalsContact CG-CE 3.47Å; M265-V267 PolarHBondContact O-N 3.43Å
266S55.1Low64.4Low44 Ų4479 Ų7931%0.30844%0.44SS..  trans-68.3114.6160.268.90000108.5Q26 V268Q26-S266 PolarHBondContact OE1-OG 3.26Å; S266-V268 PolarHBondContact O-N 2.96Å
267V58.1Low62.6Low75 Ų7586.1 Ų86.146%0.45547%0.47SS..  trans-80.265.2-177.7-1690000110M265M265-V267 PolarHBondContact O-N 3.43Å
268V59.2Low60.6Low65 Ų6590.7 Ų90.739%0.39450%0.502SS..  trans-110.796.2175.3-172.90000109.2T21 S266 S273T21-V268 WeakPolarHBondContact CB-O 3.48Å; T21-V268 HydrophobicContact CG2-CG1 4.26Å; T21-V268 PolarHBondContact OG1-O 3.27Å; S266-V268 PolarHBondContact O-N 2.96Å; V268-S273 WeakPolarHBondContact CG1-OG 3.41Å
269S70.5Confident58.3Low30 Ų3092.6 Ų92.621%0.2153%0.527CS..  trans-88.2152.7173.168.50000111T271 K272 S273S269-T271 PolarHBondContact O-N 3.11Å; S269-K272 PolarHBondContact O-N 2.71Å; S269-K272 VanDerWaalsContact O-N 3.13Å; S269-K272 WeakPolarHBondContact OG-CG 3.39Å; S269-K272 PolarHBondContact OG-N 3.33Å; S269-S273 PolarHBondContact O-N 3.31Å; S269-S273 PolarHBondContact O-OG 3.38Å
270S71Confident57.7Low19 Ų1993.4 Ų93.413%0.13353%0.533CS..Hα-helixtrans-55.6-38.4175.2-53.70000112N18 P19 H24 K272 S273 S274N18-S270 WeakPolarHBondContact O-CB 3.48Å; P19-S270 WeakPolarHBondContact O-CB 3.42Å; P19-S270 PolarHBondContact O-OG 2.8Å; H24-S270 PolarHBondContact CE1-OG 3.36Å; S270-K272 PolarHBondContact O-N 3.5Å; S270-S273 PolarHBondContact O-N 3.37Å; S270-S274 PolarHBondContact O-N 3.18Å; S270-S274 PolarHBondContact O-OG 3.31Å; S270-S274 VanDerWaalsContact O-OG 3.08Å
271T71.7Confident57.6Low87 Ų8792.9 Ų92.953%0.53453%0.532SS..Hα-helixtrans-59.3-46.3177.1-48.40000112S269 S273 S274 Q275S269-T271 PolarHBondContact O-N 3.11Å; T271-S273 VanDerWaalsContact C-N 3.35Å; T271-S274 PolarHBondContact O-N 3.06Å; T271-Q275 WeakPolarHBondContact O-CG 3.39Å; T271-Q275 PolarHBondContact O-N 3.08Å; T271-Q275 VanDerWaalsContact O-N 3.08Å
272K66.4Low57.9Low117 Ų11788.9 Ų88.951%0.50951%0.514SS..Hα-helixtrans-65.5-39.6177.6-73.3176.8177.2177.80111.2S269 S270 G276S269-K272 PolarHBondContact O-N 2.71Å; S269-K272 VanDerWaalsContact O-N 3.13Å; S269-K272 WeakPolarHBondContact OG-CG 3.39Å; S269-K272 PolarHBondContact OG-N 3.33Å; S270-K272 PolarHBondContact O-N 3.5Å; K272-G276 PolarHBondContact O-N 3.16Å
273S60.1Low58.6Low26 Ų2686.2 Ų86.218%0.18250%0.502CS..Hα-helixtrans-62.5-48.9175.6-61.30000111.9V268 S269 S270 T271 Q275 G276 F277V268-S273 WeakPolarHBondContact CG1-OG 3.41Å; S269-S273 PolarHBondContact O-N 3.31Å; S269-S273 PolarHBondContact O-OG 3.38Å; S270-S273 PolarHBondContact O-N 3.37Å; T271-S273 VanDerWaalsContact C-N 3.35Å; S273-Q275 PolarHBondContact O-N 3.11Å; S273-G276 PolarHBondContact O-N 3.14Å; S273-G276 VanDerWaalsContact O-N 3.11Å; S273-F277 WeakPolarHBondContact O-CD2 3.35Å; S273-F277 PolarHBondContact O-N 3.39Å
274S60.6Low58.9Low46 Ų4682.9 Ų82.932%0.32249%0.493SS..Hα-helixtrans-63.3-38.9-179.3-58.50000112.6N18 S270 T271 G276 F277 S278N18-S274 PolarHBondContact O-OG 3.46Å; S270-S274 PolarHBondContact O-N 3.18Å; S270-S274 PolarHBondContact O-OG 3.31Å; S270-S274 VanDerWaalsContact O-OG 3.08Å; T271-S274 PolarHBondContact O-N 3.06Å; S274-G276 VanDerWaalsContact C-N 3.27Å; S274-G276 PolarHBondContact O-N 3.08Å; S274-F277 PolarHBondContact O-N 3.25Å; S274-F277 VanDerWaalsContact O-N 3.16Å; S274-S278 PolarHBondContact O-N 2.84Å; S274-S278 PolarHBondContact O-OG 3.21Å
275Q57.8Low59.2Low137 Ų13781.1 Ų81.164%0.6448%0.478SS*.Hα-helixtrans-60.7-34.6174-75.5176.4-7.200112.8T271 S273 F277T271-Q275 WeakPolarHBondContact O-CG 3.39Å; T271-Q275 PolarHBondContact O-N 3.08Å; T271-Q275 VanDerWaalsContact O-N 3.08Å; S273-Q275 PolarHBondContact O-N 3.11Å; Q275-F277 VanDerWaalsContact C-N 3.27Å; Q275-F277 PolarHBondContact O-N 3.24Å
276G56.3Low59.5Low62 Ų6284.7 Ų84.764%0.63950%0.502SS*.Hα-helixtrans-71.9-16.3177.400000114.8K272 S273 S274K272-G276 PolarHBondContact O-N 3.16Å; S273-G276 PolarHBondContact O-N 3.14Å; S273-G276 VanDerWaalsContact O-N 3.11Å; S274-G276 VanDerWaalsContact C-N 3.27Å; S274-G276 PolarHBondContact O-N 3.08Å
277F57Low59.8Low173 Ų17387.8 Ų87.876%0.75952%0.517SS*.Hα-helixtrans-101.5-11.9178-71.9-70.9000113.8S273 S274 Q275 V279S273-F277 WeakPolarHBondContact O-CD2 3.35Å; S273-F277 PolarHBondContact O-N 3.39Å; S274-F277 PolarHBondContact O-N 3.25Å; S274-F277 VanDerWaalsContact O-N 3.16Å; Q275-F277 VanDerWaalsContact C-N 3.27Å; Q275-F277 PolarHBondContact O-N 3.24Å; F277-V279 PolarHBondContact O-N 3.36Å; F277-V279 VanDerWaalsContact O-N 3.12Å
278S52.6Low59.9Low102 Ų10288.9 Ų88.971%0.71352%0.522SS*.  trans-78.588.9171.5-63.60000109.4S274S274-S278 PolarHBondContact O-N 2.84Å; S274-S278 PolarHBondContact O-OG 3.21Å
279V36.2Very low60Low203 Ų20391.1 Ų91.1100%1.2353%0.534SS*.  trans-98.10173.4-163.90000110.2F277F277-V279 PolarHBondContact O-N 3.36Å; F277-V279 VanDerWaalsContact O-N 3.12Å

Retrieved 279 of 279 residues in 518.8 ms (Link to these results)

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