A0A3Q0KPR2_SCHMA Loading...

UPF0489 protein C5orf22 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KPR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low48.1Very low230 Ų230118.2 Ų118.2100%1.13362%0.62SS**  099.90-74166.3168.400105.9N3M1-N3 PolarHBondContact O-N 3.15Å
2N32.7Very low49.1Very low151 Ų151112.5 Ų112.581%0.80759%0.59SS**  trans-67.4112.5164.6-80.2-13.6000104.3D4N2-D4 PolarHBondContact O-N 2.67Å
3N38.6Very low50.1Low147 Ų147108.7 Ų108.779%0.78658%0.579SS**  trans-63.287.2159.8-72.5-10.5000104.3M1 V5M1-N3 PolarHBondContact O-N 3.15Å; N3-V5 VanDerWaalsContact C-N 3.26Å; N3-V5 PolarHBondContact O-N 3.16Å
4D41.4Very low51Low130 Ų130105.1 Ų105.170%0.69556%0.559SS**  trans-52.4109.4160.9-84.2-29000104N2 F6N2-D4 PolarHBondContact O-N 2.67Å; D4-F6 WeakPolarHBondContact O-CD2 3.01Å; D4-F6 PolarHBondContact O-N 3.27Å
5V40.6Very low51.5Low117 Ų117107.4 Ų107.471%0.70957%0.572SS**  trans-57.599178.1175.50000103.4N3 N7N3-V5 VanDerWaalsContact C-N 3.26Å; N3-V5 PolarHBondContact O-N 3.16Å; V5-N7 PolarHBondContact O-N 2.68Å
6F49Very low51.9Low136 Ų136108.5 Ų108.560%0.59657%0.572SS**  trans-50.6100.1158.5-80.2-103.4000103.1D4 S8 S276D4-F6 WeakPolarHBondContact O-CD2 3.01Å; D4-F6 PolarHBondContact O-N 3.27Å; F6-S8 PolarHBondContact O-N 2.84Å; F6-S276 WeakPolarHBondContact CE1-OG 3.35Å
7N46.5Very low52.5Low145 Ų145106.4 Ų106.478%0.77557%0.565SS**  trans-61.394.7168-82.3-27.9000103V5V5-N7 PolarHBondContact O-N 2.68Å
8S52.1Low53.4Low34 Ų34108.9 Ų108.924%0.23859%0.585CS.*  trans-48129.6175.949.70000105.3F6 E10 Q80F6-S8 PolarHBondContact O-N 2.84Å; S8-E10 PolarHBondContact O-N 3.03Å; S8-E10 VanDerWaalsContact O-N 3.09Å; S8-Q80 VanDerWaalsContact CB-NE2 3.29Å
9P58.6Low55.1Low56 Ų56106.5 Ų106.536%0.36458%0.578SS.*  trans-49130.5178.2-2027.7000106.9F11 L371P9-F11 HydrophobicContact CB-CD1 4.01Å; P9-F11 HydrophobicContact CB-CE1 3.56Å; P9-F11 HydrophobicContact CB-CE2 4.08Å; P9-F11 HydrophobicContact CB-CG 4.49Å; P9-F11 HydrophobicContact CB-CZ 3.59Å; P9-F11 HydrophobicContact CG-CE1 3.89Å; P9-F11 HydrophobicContact CG-CE2 4.1Å; P9-F11 HydrophobicContact CG-CZ 3.5Å; P9-F11 VanDerWaalsContact CG-CZ 3.5Å; P9-F11 WeakPolarHBondContact O-CD2 3.14Å; P9-F11 WeakPolarHBondContact O-CE2 3.34Å; P9-F11 VanDerWaalsContact O-CG 3.32Å; P9-F11 WeakPolarHBondContact O-CG 3.07Å; P9-F11 PolarHBondContact O-N 3.36Å; P9-L371 HydrophobicContact CG-CD2 3.81Å
10E60.3Low57.1Low139 Ų139101.8 Ų101.865%0.6555%0.552SS**  trans-75.672.7-171.7-153.1-175.8-139.400108.2S8 L12 S13S8-E10 PolarHBondContact O-N 3.03Å; S8-E10 VanDerWaalsContact O-N 3.09Å; E10-L12 PolarHBondContact O-N 3.32Å; E10-S13 PolarHBondContact O-N 3.26Å; E10-S13 VanDerWaalsContact O-N 3.08Å; E10-S13 PolarHBondContact O-OG 2.99Å; E10-S13 WeakPolarHBondContact OE2-CB 3.46Å; E10-S13 PolarHBondContact OE2-OG 3.09Å
11F72.8Confident58.9Low15 Ų1598.1 Ų98.17%0.06653%0.531CS..G310 helixtrans-61.1-32.4-169.1-62.8-64.9000111.7P9 S13 P33 M79 Q80 M83 L371P9-F11 HydrophobicContact CB-CD1 4.01Å; P9-F11 HydrophobicContact CB-CE1 3.56Å; P9-F11 HydrophobicContact CB-CE2 4.08Å; P9-F11 HydrophobicContact CB-CG 4.49Å; P9-F11 HydrophobicContact CB-CZ 3.59Å; P9-F11 HydrophobicContact CG-CE1 3.89Å; P9-F11 HydrophobicContact CG-CE2 4.1Å; P9-F11 HydrophobicContact CG-CZ 3.5Å; P9-F11 VanDerWaalsContact CG-CZ 3.5Å; P9-F11 WeakPolarHBondContact O-CD2 3.14Å; P9-F11 WeakPolarHBondContact O-CE2 3.34Å; P9-F11 VanDerWaalsContact O-CG 3.32Å; P9-F11 WeakPolarHBondContact O-CG 3.07Å; P9-F11 PolarHBondContact O-N 3.36Å; F11-S13 PolarHBondContact O-N 3.32Å; F11-P33 HydrophobicContact CB-CB 4.08Å; F11-P33 HydrophobicContact CB-CG 4.41Å; F11-P33 HydrophobicContact CD1-CB 3.49Å; F11-P33 VanDerWaalsContact CD1-CB 3.49Å; F11-P33 HydrophobicContact CD1-CG 3.29Å; F11-P33 HydrophobicContact CE1-CB 4.2Å; F11-P33 HydrophobicContact CE1-CG 3.55Å; F11-P33 HydrophobicContact CG-CB 4.06Å; F11-P33 HydrophobicContact CG-CG 3.92Å; F11-P33 HydrophobicContact CZ-CG 4.38Å; F11-M79 HydrophobicContact CB-CG 4.1Å; F11-M79 HydrophobicContact CD2-CB 4.37Å; F11-M79 HydrophobicContact CD2-CG 4.1Å; F11-M79 HydrophobicContact CG-CG 4.2Å; F11-Q80 HydrophobicContact CE2-CG 4.05Å; F11-M83 HydrophobicContact CE1-CE 4.37Å; F11-M83 HydrophobicContact CE2-CE 3.82Å; F11-M83 HydrophobicContact CZ-CE 3.66Å; F11-L371 HydrophobicContact CZ-CD2 4.25Å
12L60.6Low61.8Low50 Ų5087.1 Ų87.126%0.26248%0.477SS..G310 helixtrans-72.2-13.7-179.4-63.5178.3000114.1E10 F36 K40 N76 M79E10-L12 PolarHBondContact O-N 3.32Å; L12-F36 HydrophobicContact CD2-CD1 4.23Å; L12-F36 HydrophobicContact CD2-CE1 3.35Å; L12-F36 HydrophobicContact CD2-CZ 3.59Å; L12-K40 PolarHBondContact O-NZ 2.93Å; L12-N76 WeakPolarHBondContact CG-OD1 3.38Å; L12-M79 HydrophobicContact CD2-CE 4.34Å
13S61.1Low64.9Low63 Ų6381.2 Ų81.244%0.44144%0.444SS..G310 helixtrans-984.9-179.170.30000114.5E10 F11 N15E10-S13 PolarHBondContact O-N 3.26Å; E10-S13 VanDerWaalsContact O-N 3.08Å; E10-S13 PolarHBondContact O-OG 2.99Å; E10-S13 WeakPolarHBondContact OE2-CB 3.46Å; E10-S13 PolarHBondContact OE2-OG 3.09Å; F11-S13 PolarHBondContact O-N 3.32Å; S13-N15 PolarHBondContact O-N 3.14Å
14L62.6Low67.8Low59 Ų5974.2 Ų74.231%0.30941%0.406SS..  trans-53.5114.9169.4-79.7163.9000109.8Q16 P33 Y34 T37L14-Q16 PolarHBondContact O-N 3.17Å; L14-P33 HydrophobicContact CD1-CB 4.13Å; L14-Y34 HydrophobicContact CD1-CD1 3.96Å; L14-Y34 HydrophobicContact CD1-CE1 4.1Å; L14-Y34 HydrophobicContact CD2-CE1 4.34Å; L14-T37 HydrophobicContact CB-CG2 4.09Å; L14-T37 WeakPolarHBondContact CB-OG1 3.43Å
15N58.4Low70.4Confident139 Ų13968 Ų6874%0.74337%0.373SS*.  trans-61.3134.2-175.8-88-26.4000110.7S13 T17S13-N15 PolarHBondContact O-N 3.14Å; N15-T17 PolarHBondContact O-N 3.3Å
16Q58.7Low73.1Confident125 Ų12562.5 Ų62.558%0.58434%0.339SS*.  trans-6994.9170.3-67.6178-14.500108.9L14L14-Q16 PolarHBondContact O-N 3.17Å
17T62.4Low75.3Confident73 Ų7356 Ų5645%0.44831%0.311SS..  trans-88.5148.5169.560.20000109.5N15 H21N15-T17 PolarHBondContact O-N 3.3Å; T17-H21 PolarHBondContact OG1-CD2 3Å; T17-H21 PolarHBondContact OG1-NE2 3.16Å
18T68.5Low77.6Confident151 Ų15149.1 Ų49.193%0.92627%0.274SS*.SBendtrans-86.6-12.7174.852.60000112.4
19S85.9Confident79.7Confident63 Ų6347.5 Ų47.544%0.44126%0.263SS..SBendtrans-82.5137176.948.40000111H21S19-H21 PolarHBondContact O-CD2 3.33Å; S19-H21 PolarHBondContact O-N 2.86Å; S19-H21 PolarHBondContact OG-CE1 3.22Å; S19-H21 PolarHBondContact OG-NE2 3Å
20L94Very high81.6Confident12 Ų1244.9 Ų44.96%0.06325%0.246CC..  trans-65.6126.9171172.659.5000110.1L420 P421 I424 F455 L457L20-L420 HydrophobicContact CB-CD2 4.05Å; L20-L420 HydrophobicContact CB-CG 4.48Å; L20-L420 HydrophobicContact CD2-CD1 3.57Å; L20-L420 HydrophobicContact CD2-CD2 4.22Å; L20-L420 HydrophobicContact CD2-CG 3.79Å; L20-P421 WeakPolarHBondContact CD1-O 3.25Å; L20-I424 HydrophobicContact CD1-CD1 4.33Å; L20-I424 HydrophobicContact CD1-CG1 3.91Å; L20-I424 HydrophobicContact CD2-CD1 3.85Å; L20-I424 HydrophobicContact CD2-CG1 4.31Å; L20-I424 HydrophobicContact CG-CD1 4.42Å; L20-F455 HydrophobicContact CD2-CB 4.17Å; L20-F455 HydrophobicContact CD2-CG 4.4Å; L20-L457 HydrophobicContact CB-CD2 4.15Å; L20-L457 HydrophobicContact CD2-CD1 4.17Å; L20-L457 HydrophobicContact CD2-CD2 4.01Å; L20-L457 HydrophobicContact CG-CD1 4.35Å; L20-L457 HydrophobicContact CG-CD2 4.14Å
21H95.8Very high83.3Confident25 Ų2538.3 Ų38.312%0.11622%0.215CC..  trans-113.2149.2175.2-66.6-70.4000111T17 S19 Y23 I424 S461 I463T17-H21 PolarHBondContact OG1-CD2 3Å; T17-H21 PolarHBondContact OG1-NE2 3.16Å; S19-H21 PolarHBondContact O-CD2 3.33Å; S19-H21 PolarHBondContact O-N 2.86Å; S19-H21 PolarHBondContact OG-CE1 3.22Å; S19-H21 PolarHBondContact OG-NE2 3Å; H21-Y23 HydrophobicContact CB-CD2 4.21Å; H21-Y23 HydrophobicContact CB-CE2 3.55Å; H21-I424 PolarHBondContact O-N 2.89Å; H21-I424 VanDerWaalsContact O-N 3.16Å; H21-S461 WeakPolarHBondContact CA-O 3.33Å; H21-I463 HydrophobicContact CB-CD1 4.16Å
22V97.8Very high84.5Confident0 Ų037.6 Ų37.60%021%0.212CC..EExtended strand (participates in β ladder)trans-111.5117.8171.3-176.20000107.1I424 I426 L448 I451 L457 S461 I462 I463V22-I424 CarbonylContact C-O 3.55Å; V22-I424 VanDerWaalsContact CA-O 3.31Å; V22-I424 WeakPolarHBondContact CA-O 3.47Å; V22-I424 HydrophobicContact CB-CB 4.42Å; V22-I424 HydrophobicContact CG1-CB 4.36Å; V22-I424 HydrophobicContact CG1-CG2 4Å; V22-I424 HydrophobicContact CG2-CB 4.04Å; V22-I424 HydrophobicContact CG2-CD1 4.26Å; V22-I424 HydrophobicContact CG2-CG2 4.27Å; V22-I426 HydrophobicContact CG1-CD1 3.52Å; V22-I426 HydrophobicContact CG1-CG1 3.96Å; V22-L448 HydrophobicContact CG1-CD2 4.22Å; V22-I451 HydrophobicContact CG2-CG2 3.98Å; V22-L457 HydrophobicContact CG2-CD1 3.53Å; V22-S461 PolarHBondContact N-O 3.4Å; V22-I462 HydrophobicContact CB-CD1 3.65Å; V22-I462 HydrophobicContact CG1-CD1 4.26Å; V22-I462 HydrophobicContact CG2-CD1 3.62Å; V22-I463 PolarHBondContact O-N 2.92Å
23Y97.9Very high86.3Confident27 Ų2735.3 Ų35.311%0.10620%0.2CC..EExtended strand (participates in β ladder)trans-102.4125175.9-65.8-90.1000109.5H21 Y34 I423 I424 T425 I426 I463H21-Y23 HydrophobicContact CB-CD2 4.21Å; H21-Y23 HydrophobicContact CB-CE2 3.55Å; Y23-Y34 AromaticContact CD1-CD1 3.74Å; Y23-Y34 HydrophobicContact CD1-CD1 3.74Å; Y23-Y34 HydrophobicContact CD1-CD2 4.48Å; Y23-Y34 AromaticContact CD1-CE1 3.41Å; Y23-Y34 HydrophobicContact CD1-CE1 3.41Å; Y23-Y34 VanDerWaalsContact CD1-CE1 3.41Å; Y23-Y34 HydrophobicContact CD1-CE2 4.23Å; Y23-Y34 HydrophobicContact CD1-CG 4.29Å; Y23-Y34 AromaticContact CD1-CZ 3.7Å; Y23-Y34 AromaticContact CD2-CD1 3.99Å; Y23-Y34 HydrophobicContact CD2-CD1 3.99Å; Y23-Y34 HydrophobicContact CD2-CG 4.07Å; Y23-Y34 AromaticContact CE1-CD1 3.77Å; Y23-Y34 HydrophobicContact CE1-CD1 3.77Å; Y23-Y34 AromaticContact CE1-CE1 3.51Å; Y23-Y34 HydrophobicContact CE1-CE1 3.51Å; Y23-Y34 HydrophobicContact CE2-CD1 4.03Å; Y23-Y34 HydrophobicContact CE2-CG 4.47Å; Y23-Y34 AromaticContact CG-CD1 3.84Å; Y23-Y34 HydrophobicContact CG-CD1 3.84Å; Y23-Y34 HydrophobicContact CG-CD2 4.13Å; Y23-Y34 AromaticContact CG-CE1 3.95Å; Y23-Y34 HydrophobicContact CG-CE1 3.95Å; Y23-Y34 HydrophobicContact CG-CE2 4.24Å; Y23-Y34 AromaticContact CG-CG 3.96Å; Y23-Y34 HydrophobicContact CG-CG 3.96Å; Y23-Y34 AromaticContact CZ-CD1 3.91Å; Y23-I423 HydrophobicContact CD2-CD1 3.86Å; Y23-I423 HydrophobicContact CD2-CG1 3.95Å; Y23-I423 HydrophobicContact CE2-CD1 3.68Å; Y23-I423 HydrophobicContact CE2-CG1 4.08Å; Y23-I424 PolarHBondContact N-O 3.29Å; Y23-T425 CarbonylContact O-C 3.59Å; Y23-T425 WeakPolarHBondContact O-CA 3.3Å; Y23-I426 PolarHBondContact O-N 2.88Å; Y23-I463 WeakPolarHBondContact CA-O 3.36Å; Y23-I463 HydrophobicContact CD1-CB 3.88Å; Y23-I463 HydrophobicContact CD1-CD1 4.25Å; Y23-I463 HydrophobicContact CD1-CG2 3.88Å; Y23-I463 HydrophobicContact CE1-CB 4.05Å; Y23-I463 HydrophobicContact CE1-CD1 3.57Å; Y23-I463 HydrophobicContact CE1-CG1 4.4Å; Y23-I463 HydrophobicContact CE1-CG2 3.95Å
24I98.1Very high88Confident0 Ų034.1 Ų34.10%019%0.186CC..EExtended strand (participates in β ladder)trans-101.7117.2176.7-57.8164.9000107.3I426 R428 L448 I462 I463 F464 T465 L468I24-I426 CarbonylContact C-O 3.56Å; I24-I426 WeakPolarHBondContact CA-O 3.25Å; I24-I426 HydrophobicContact CG1-CB 4.32Å; I24-I426 HydrophobicContact CG1-CD1 4.38Å; I24-R428 HydrophobicContact CG2-CG 4.23Å; I24-L448 HydrophobicContact CD1-CD1 4.08Å; I24-L448 HydrophobicContact CD1-CD2 4.15Å; I24-I462 HydrophobicContact CD1-CG2 3.56Å; I24-I462 HydrophobicContact CG1-CG2 4.39Å; I24-I463 PolarHBondContact N-O 3.2Å; I24-F464 HydrophobicContact CB-CD1 4.05Å; I24-F464 HydrophobicContact CB-CE1 4.46Å; I24-F464 HydrophobicContact CD1-CD1 3.54Å; I24-F464 HydrophobicContact CD1-CD2 4.3Å; I24-F464 HydrophobicContact CD1-CE1 3.2Å; I24-F464 HydrophobicContact CD1-CE2 3.99Å; I24-F464 HydrophobicContact CD1-CG 4.1Å; I24-F464 HydrophobicContact CD1-CZ 3.44Å; I24-F464 VanDerWaalsContact CD1-CZ 3.44Å; I24-F464 HydrophobicContact CG1-CD1 4.4Å; I24-F464 HydrophobicContact CG1-CE1 4.41Å; I24-F464 HydrophobicContact CG2-CD1 4.15Å; I24-F464 HydrophobicContact CG2-CE1 4.41Å; I24-T465 WeakPolarHBondContact O-CG2 3.08Å; I24-T465 PolarHBondContact O-N 3.42Å; I24-T465 PolarHBondContact O-OG1 3.44Å; I24-L468 HydrophobicContact CG2-CD1 4.5Å; I24-L468 HydrophobicContact CG2-CD2 4.23Å
25V97.4Very high89.6Confident0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-114.8163.7-178.8-61.50000110.5E27 E30 V31 Y34 I426 S427 R428 T465 L468V25-E27 WeakPolarHBondContact CG2-O 3.28Å; V25-E30 HydrophobicContact CB-CB 3.89Å; V25-E30 WeakPolarHBondContact CB-OE2 3.49Å; V25-E30 HydrophobicContact CG1-CB 3.91Å; V25-E30 HydrophobicContact CG2-CB 4.4Å; V25-V31 HydrophobicContact CG1-CG1 4.46Å; V25-V31 HydrophobicContact CG2-CG1 3.65Å; V25-Y34 HydrophobicContact CG1-CD2 4.4Å; V25-Y34 HydrophobicContact CG1-CE2 3.81Å; V25-I426 WeakPolarHBondContact CG2-O 3.32Å; V25-I426 PolarHBondContact N-O 3.38Å; V25-S427 WeakPolarHBondContact CG2-OG 2.99Å; V25-R428 PolarHBondContact O-N 3.5Å; V25-T465 HydrophobicContact CG1-CG2 3.75Å; V25-L468 VanDerWaalsContact C-CD2 3.41Å
26E96.4Very high91.4Very high0 Ų025 Ų250%014%0.138CC..SBendtrans-83.2-50.5174.6-171.955.3-149.500111.2E30 R428 S429 S430 R431 L468 A469E26-E30 PolarHBondContact N-OE2 3.11Å; E26-R428 PolarHBondContact O-N 3.1Å; E26-S429 PolarHBondContact O-N 3.36Å; E26-S430 WeakPolarHBondContact OE1-CA 3.43Å; E26-S430 VanDerWaalsContact OE1-CB 3.31Å; E26-S430 WeakPolarHBondContact OE1-CB 3.04Å; E26-S430 PolarHBondContact OE1-N 3.08Å; E26-S430 VanDerWaalsContact OE1-N 3.13Å; E26-R431 HydrophobicContact CG-CB 4.02Å; E26-R431 PolarHBondContact OE1-N 2.84Å; E26-L468 HydrophobicContact CB-CD2 4.4Å; E26-A469 HydrophobicContact CG-CB 3.93Å; E26-A469 WeakPolarHBondContact OE1-CB 3.23Å; E26-A469 WeakPolarHBondContact OE2-CB 2.96Å; E26-A469 PolarHBondContact OE2-N 3.24Å
27E95.4Very high93Very high0 Ų020.1 Ų20.10%012%0.116CC..SBendtrans-114.9147-172-83.4176.8-145.700111V25 H29 E30 N86 Y368 S369 R431V25-E27 WeakPolarHBondContact CG2-O 3.28Å; E27-H29 VanDerWaalsContact C-N 3.33Å; E27-H29 PolarHBondContact O-N 2.95Å; E27-H29 IonicContact OE2-CE1 2.92Å; E27-H29 PolarHBondContact OE2-CE1 3.36Å; E27-H29 IonicContact OE2-ND1 3.84Å; E27-H29 IonicContact OE2-NE2 3.82Å; E27-E30 HydrophobicContact CB-CG 4.09Å; E27-E30 VanDerWaalsContact O-CB 3.28Å; E27-E30 WeakPolarHBondContact O-CB 3.46Å; E27-E30 WeakPolarHBondContact O-CG 3.21Å; E27-E30 PolarHBondContact O-N 3.38Å; E27-E30 VanDerWaalsContact O-N 3.12Å; E27-N86 WeakPolarHBondContact CB-OD1 3.34Å; E27-Y368 VanDerWaalsContact OE1-C 3.27Å; E27-Y368 WeakPolarHBondContact OE1-CA 3.42Å; E27-S369 PolarHBondContact OE1-N 3.48Å; E27-S369 VanDerWaalsContact OE2-CB 3.29Å; E27-S369 WeakPolarHBondContact OE2-CB 3.18Å; E27-S369 PolarHBondContact OE2-N 3.37Å; E27-R431 WeakPolarHBondContact OE1-CD 3.18Å; E27-R431 IonicContact OE1-CZ 3.88Å; E27-R431 IonicContact OE1-NE 3.09Å; E27-R431 IonicContact OE1-NH1 3.73Å; E27-R431 PolarHBondContact OE1-NH1 3.39Å
28H95.3Very high94.4Very high1 Ų117 Ų171%0.00510%0.097CC..G310 helixtrans-60.6-43.5-170.3-69.1-122.6000112.1E30 V31 D53 D57 N86 F89 D237 S429H28-E30 PolarHBondContact O-N 2.6Å; H28-E30 VanDerWaalsContact O-N 3.1Å; H28-V31 WeakPolarHBondContact O-CB 3.43Å; H28-V31 VanDerWaalsContact O-CG1 3.29Å; H28-V31 WeakPolarHBondContact O-CG1 3.5Å; H28-V31 WeakPolarHBondContact O-CG2 3.46Å; H28-V31 PolarHBondContact O-N 2.94Å; H28-V31 VanDerWaalsContact O-N 3.14Å; H28-D53 IonicContact CE1-OD2 2.78Å; H28-D53 PolarHBondContact CE1-OD2 3.42Å; H28-D53 IonicContact ND1-OD2 3.06Å; H28-D57 IonicContact CE1-OD2 3.67Å; H28-D57 PolarHBondContact CE1-OD2 2.89Å; H28-D57 VanDerWaalsContact CE1-OD2 3.24Å; H28-D57 IonicContact CG-OD2 2.73Å; H28-D57 IonicContact ND1-OD2 3.42Å; H28-D57 PolarHBondContact ND1-OD2 3.41Å; H28-N86 HydrophobicContact CB-CB 4.19Å; H28-N86 PolarHBondContact N-OD1 2.92Å; H28-N86 VanDerWaalsContact N-OD1 3.08Å; H28-F89 HydrophobicContact CB-CD1 3.86Å; H28-F89 HydrophobicContact CB-CE1 3.33Å; H28-F89 HydrophobicContact CB-CE2 4.25Å; H28-F89 HydrophobicContact CB-CZ 3.6Å; H28-F89 AromaticContact CG-CE1 3.99Å; H28-F89 AromaticContact ND1-CE1 3.92Å; H28-F89 AromaticContact ND1-CZ 3.9Å; H28-D237 VanDerWaalsContact CE1-CG 3.41Å; H28-D237 IonicContact CE1-OD2 3.78Å; H28-D237 PolarHBondContact CE1-OD2 3.11Å; H28-D237 IonicContact NE2-OD2 3.33Å; H28-D237 PolarHBondContact NE2-OD2 3.1Å; H28-S429 PolarHBondContact CD2-OG 3.16Å; H28-S429 PolarHBondContact NE2-OG 3.36Å
29H96.6Very high95.6Very high0 Ų09.8 Ų9.80%05%0.053CC..G310 helixtrans-67.3-17.4-17666.1-101.3000113.4E27 V31 I32 M83 N86 F89 T372E27-H29 VanDerWaalsContact C-N 3.33Å; E27-H29 PolarHBondContact O-N 2.95Å; E27-H29 IonicContact OE2-CE1 2.92Å; E27-H29 PolarHBondContact OE2-CE1 3.36Å; E27-H29 IonicContact OE2-ND1 3.84Å; E27-H29 IonicContact OE2-NE2 3.82Å; H29-V31 PolarHBondContact O-N 3.25Å; H29-V31 VanDerWaalsContact O-N 3.11Å; H29-I32 WeakPolarHBondContact O-CG1 3.36Å; H29-I32 PolarHBondContact O-N 3.2Å; H29-M83 HydrophobicContact CB-CB 4.42Å; H29-M83 WeakPolarHBondContact O-CG 3.2Å; H29-N86 PolarHBondContact N-OD1 2.61Å; H29-N86 PolarHBondContact ND1-OD1 2.93Å; H29-F89 HydrophobicContact CB-CB 3.86Å; H29-F89 HydrophobicContact CB-CG 4.43Å; H29-T372 PolarHBondContact CE1-OG1 3.11Å; H29-T372 WeakPolarHBondContact NE2-CA 2.95Å; H29-T372 PolarHBondContact NE2-OG1 3.36Å
30E96.9Very high95.9Very high1 Ų110.4 Ų10.41%0.0055%0.048CC..G310 helixtrans-63.6-14.7175.3-59.4-173.4-179.900113V25 E26 E27 H28 I32 P33 S369 L371V25-E30 HydrophobicContact CB-CB 3.89Å; V25-E30 WeakPolarHBondContact CB-OE2 3.49Å; V25-E30 HydrophobicContact CG1-CB 3.91Å; V25-E30 HydrophobicContact CG2-CB 4.4Å; E26-E30 PolarHBondContact N-OE2 3.11Å; E27-E30 HydrophobicContact CB-CG 4.09Å; E27-E30 VanDerWaalsContact O-CB 3.28Å; E27-E30 WeakPolarHBondContact O-CB 3.46Å; E27-E30 WeakPolarHBondContact O-CG 3.21Å; E27-E30 PolarHBondContact O-N 3.38Å; E27-E30 VanDerWaalsContact O-N 3.12Å; H28-E30 PolarHBondContact O-N 2.6Å; H28-E30 VanDerWaalsContact O-N 3.1Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.36Å; E30-P33 WeakPolarHBondContact O-CD 3.44Å; E30-S369 WeakPolarHBondContact OE1-CB 3.31Å; E30-S369 PolarHBondContact OE1-OG 3.32Å; E30-L371 HydrophobicContact CB-CD1 4.16Å; E30-L371 HydrophobicContact CG-CB 4.26Å; E30-L371 HydrophobicContact CG-CD1 3.94Å
31V97.7Very high95.8Very high0 Ų011.5 Ų11.50%06%0.057CC..G310 helixtrans-72.9-22.3-179-57.50000113.8V25 H28 H29 Y34 W35 F89 T425V25-V31 HydrophobicContact CG1-CG1 4.46Å; V25-V31 HydrophobicContact CG2-CG1 3.65Å; H28-V31 WeakPolarHBondContact O-CB 3.43Å; H28-V31 VanDerWaalsContact O-CG1 3.29Å; H28-V31 WeakPolarHBondContact O-CG1 3.5Å; H28-V31 WeakPolarHBondContact O-CG2 3.46Å; H28-V31 PolarHBondContact O-N 2.94Å; H28-V31 VanDerWaalsContact O-N 3.14Å; H29-V31 PolarHBondContact O-N 3.25Å; H29-V31 VanDerWaalsContact O-N 3.11Å; V31-Y34 WeakPolarHBondContact O-CA 3.47Å; V31-Y34 VanDerWaalsContact O-CB 3.28Å; V31-Y34 WeakPolarHBondContact O-CB 3.4Å; V31-Y34 PolarHBondContact O-N 3Å; V31-W35 HydrophobicContact CB-CZ2 4.36Å; V31-W35 HydrophobicContact CG2-CD2 3.77Å; V31-W35 HydrophobicContact CG2-CE3 4.28Å; V31-W35 HydrophobicContact CG2-CG 4.32Å; V31-W35 HydrophobicContact CG2-CH2 4.01Å; V31-W35 HydrophobicContact CG2-CZ2 3.42Å; V31-W35 VanDerWaalsContact CG2-CZ2 3.42Å; V31-W35 HydrophobicContact CG2-CZ3 4.37Å; V31-W35 PolarHBondContact O-N 3.38Å; V31-F89 HydrophobicContact CG2-CD2 3.79Å; V31-F89 HydrophobicContact CG2-CE2 3.7Å; V31-T425 HydrophobicContact CB-CG2 3.93Å; V31-T425 HydrophobicContact CG1-CG2 3.89Å
32I98.1Very high95.5Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-55.4-44.4-169-69.6-69.7000113.7H29 E30 Y34 W35 F36 M79 L82 M83 F89 A93H29-I32 WeakPolarHBondContact O-CG1 3.36Å; H29-I32 PolarHBondContact O-N 3.2Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.36Å; I32-Y34 PolarHBondContact O-N 2.74Å; I32-W35 HydrophobicContact CD1-CE3 3.79Å; I32-W35 HydrophobicContact CD1-CZ3 4.04Å; I32-W35 PolarHBondContact O-N 2.72Å; I32-F36 WeakPolarHBondContact O-CB 3.42Å; I32-F36 PolarHBondContact O-N 2.8Å; I32-M79 HydrophobicContact CG2-SD 3.58Å; I32-M79 VanDerWaalsContact CG2-SD 3.58Å; I32-L82 HydrophobicContact CG2-CB 3.9Å; I32-L82 HydrophobicContact CG2-CD1 4.01Å; I32-M83 HydrophobicContact CB-CG 4.06Å; I32-M83 HydrophobicContact CG1-CG 4.36Å; I32-M83 HydrophobicContact CG2-CG 4.45Å; I32-F89 HydrophobicContact CD1-CB 4.14Å; I32-F89 HydrophobicContact CD1-CD2 4.15Å; I32-F89 HydrophobicContact CG1-CB 4.13Å; I32-F89 HydrophobicContact CG1-CD2 4.43Å; I32-A93 HydrophobicContact CD1-CB 3.96Å
33P97.1Very high95.2Very high3 Ų317.1 Ų17.12%0.0199%0.087CC..Hα-helixtrans-58.9-34.6175.7-27.137.3000114F11 L14 E30 T37 M79 M83F11-P33 HydrophobicContact CB-CB 4.08Å; F11-P33 HydrophobicContact CB-CG 4.41Å; F11-P33 HydrophobicContact CD1-CB 3.49Å; F11-P33 VanDerWaalsContact CD1-CB 3.49Å; F11-P33 HydrophobicContact CD1-CG 3.29Å; F11-P33 HydrophobicContact CE1-CB 4.2Å; F11-P33 HydrophobicContact CE1-CG 3.55Å; F11-P33 HydrophobicContact CG-CB 4.06Å; F11-P33 HydrophobicContact CG-CG 3.92Å; F11-P33 HydrophobicContact CZ-CG 4.38Å; L14-P33 HydrophobicContact CD1-CB 4.13Å; E30-P33 WeakPolarHBondContact O-CD 3.44Å; P33-T37 PolarHBondContact O-N 3.43Å; P33-T37 VanDerWaalsContact O-N 3.1Å; P33-T37 PolarHBondContact O-OG1 3.06Å; P33-M79 HydrophobicContact CG-CG 4.33Å; P33-M83 HydrophobicContact CG-SD 3.94Å
34Y96.2Very high95Very high37 Ų3719.7 Ų19.715%0.14510%0.103CC..Hα-helixtrans-72.2-46179.2-57.1-53.3000110.2L14 Y23 V25 V31 I32 F36 T37 A38 I423 T425 T465L14-Y34 HydrophobicContact CD1-CD1 3.96Å; L14-Y34 HydrophobicContact CD1-CE1 4.1Å; L14-Y34 HydrophobicContact CD2-CE1 4.34Å; Y23-Y34 AromaticContact CD1-CD1 3.74Å; Y23-Y34 HydrophobicContact CD1-CD1 3.74Å; Y23-Y34 HydrophobicContact CD1-CD2 4.48Å; Y23-Y34 AromaticContact CD1-CE1 3.41Å; Y23-Y34 HydrophobicContact CD1-CE1 3.41Å; Y23-Y34 VanDerWaalsContact CD1-CE1 3.41Å; Y23-Y34 HydrophobicContact CD1-CE2 4.23Å; Y23-Y34 HydrophobicContact CD1-CG 4.29Å; Y23-Y34 AromaticContact CD1-CZ 3.7Å; Y23-Y34 AromaticContact CD2-CD1 3.99Å; Y23-Y34 HydrophobicContact CD2-CD1 3.99Å; Y23-Y34 HydrophobicContact CD2-CG 4.07Å; Y23-Y34 AromaticContact CE1-CD1 3.77Å; Y23-Y34 HydrophobicContact CE1-CD1 3.77Å; Y23-Y34 AromaticContact CE1-CE1 3.51Å; Y23-Y34 HydrophobicContact CE1-CE1 3.51Å; Y23-Y34 HydrophobicContact CE2-CD1 4.03Å; Y23-Y34 HydrophobicContact CE2-CG 4.47Å; Y23-Y34 AromaticContact CG-CD1 3.84Å; Y23-Y34 HydrophobicContact CG-CD1 3.84Å; Y23-Y34 HydrophobicContact CG-CD2 4.13Å; Y23-Y34 AromaticContact CG-CE1 3.95Å; Y23-Y34 HydrophobicContact CG-CE1 3.95Å; Y23-Y34 HydrophobicContact CG-CE2 4.24Å; Y23-Y34 AromaticContact CG-CG 3.96Å; Y23-Y34 HydrophobicContact CG-CG 3.96Å; Y23-Y34 AromaticContact CZ-CD1 3.91Å; V25-Y34 HydrophobicContact CG1-CD2 4.4Å; V25-Y34 HydrophobicContact CG1-CE2 3.81Å; V31-Y34 WeakPolarHBondContact O-CA 3.47Å; V31-Y34 VanDerWaalsContact O-CB 3.28Å; V31-Y34 WeakPolarHBondContact O-CB 3.4Å; V31-Y34 PolarHBondContact O-N 3Å; I32-Y34 PolarHBondContact O-N 2.74Å; Y34-F36 VanDerWaalsContact C-N 3.32Å; Y34-F36 PolarHBondContact O-N 2.87Å; Y34-T37 WeakPolarHBondContact O-CB 3.28Å; Y34-T37 PolarHBondContact O-N 2.98Å; Y34-T37 VanDerWaalsContact O-N 3.13Å; Y34-A38 PolarHBondContact O-N 2.78Å; Y34-I423 WeakPolarHBondContact O-CD1 3.42Å; Y34-T425 HydrophobicContact CD2-CG2 4.26Å; Y34-T465 HydrophobicContact CE2-CG2 4.18Å; Y34-T465 VanDerWaalsContact OH-CG2 3.23Å; Y34-T465 WeakPolarHBondContact OH-CG2 3.38Å
35W97.4Very high94.8Very high1 Ų124.2 Ų24.20%0.00412%0.122CC..Hα-helixtrans-58.4-44.1174.6-68.210.3000112.3V31 I32 T37 A38 A39 L49 F89 I90 A93 I99 I233 D235 T425V31-W35 HydrophobicContact CB-CZ2 4.36Å; V31-W35 HydrophobicContact CG2-CD2 3.77Å; V31-W35 HydrophobicContact CG2-CE3 4.28Å; V31-W35 HydrophobicContact CG2-CG 4.32Å; V31-W35 HydrophobicContact CG2-CH2 4.01Å; V31-W35 HydrophobicContact CG2-CZ2 3.42Å; V31-W35 VanDerWaalsContact CG2-CZ2 3.42Å; V31-W35 HydrophobicContact CG2-CZ3 4.37Å; V31-W35 PolarHBondContact O-N 3.38Å; I32-W35 HydrophobicContact CD1-CE3 3.79Å; I32-W35 HydrophobicContact CD1-CZ3 4.04Å; I32-W35 PolarHBondContact O-N 2.72Å; W35-T37 VanDerWaalsContact C-N 3.33Å; W35-T37 PolarHBondContact O-N 2.94Å; W35-A38 WeakPolarHBondContact O-CB 3.4Å; W35-A38 PolarHBondContact O-N 3.4Å; W35-A39 PolarHBondContact O-N 3.29Å; W35-L49 HydrophobicContact CH2-CD1 3.76Å; W35-L49 HydrophobicContact CH2-CD2 3.68Å; W35-L49 HydrophobicContact CH2-CG 4.4Å; W35-L49 HydrophobicContact CZ2-CD1 3.61Å; W35-L49 HydrophobicContact CZ2-CD2 4.36Å; W35-L49 HydrophobicContact CZ3-CD1 4.45Å; W35-L49 HydrophobicContact CZ3-CD2 4.2Å; W35-F89 AromaticContact CH2-CD2 3.64Å; W35-F89 HydrophobicContact CH2-CD2 3.64Å; W35-F89 AromaticContact CH2-CE2 3.19Å; W35-F89 HydrophobicContact CH2-CE2 3.19Å; W35-F89 HydrophobicContact CH2-CZ 4.24Å; W35-F89 HydrophobicContact CZ2-CD2 4.32Å; W35-F89 AromaticContact CZ2-CE2 3.68Å; W35-F89 HydrophobicContact CZ2-CE2 3.68Å; W35-F89 AromaticContact CZ3-CD2 3.84Å; W35-F89 HydrophobicContact CZ3-CD2 3.84Å; W35-F89 AromaticContact CZ3-CE2 3.9Å; W35-F89 HydrophobicContact CZ3-CE2 3.9Å; W35-I90 HydrophobicContact CH2-CG1 4.24Å; W35-A93 HydrophobicContact CE3-CB 4.18Å; W35-A93 HydrophobicContact CZ3-CB 4.13Å; W35-I99 HydrophobicContact CE3-CD1 3.93Å; W35-I99 HydrophobicContact CH2-CD1 4.47Å; W35-I99 HydrophobicContact CZ3-CD1 3.63Å; W35-I233 HydrophobicContact CB-CD1 3.77Å; W35-I233 HydrophobicContact CD2-CD1 4.2Å; W35-I233 HydrophobicContact CD2-CG2 4.04Å; W35-I233 HydrophobicContact CG-CD1 3.84Å; W35-I233 HydrophobicContact CG-CG2 3.93Å; W35-I233 HydrophobicContact CZ2-CG2 4.28Å; W35-I233 VanDerWaalsContact NE1-CG2 3.31Å; W35-D235 HydrophobicContact CZ2-CB 3.69Å; W35-D235 WeakPolarHBondContact CZ2-OD2 3.43Å; W35-T425 PolarHBondContact NE1-OG1 3.17Å; W35-T425 VanDerWaalsContact NE1-OG1 3.14Å
36F96.4Very high94.7Very high7 Ų726.7 Ų26.73%0.03113%0.133CC..Hα-helixtrans-58.7-44.9174.7175.1-94.2000111.8L12 I32 Y34 A38 A39 K40 F72 P73 M79 L98L12-F36 HydrophobicContact CD2-CD1 4.23Å; L12-F36 HydrophobicContact CD2-CE1 3.35Å; L12-F36 HydrophobicContact CD2-CZ 3.59Å; I32-F36 WeakPolarHBondContact O-CB 3.42Å; I32-F36 PolarHBondContact O-N 2.8Å; Y34-F36 VanDerWaalsContact C-N 3.32Å; Y34-F36 PolarHBondContact O-N 2.87Å; F36-A38 VanDerWaalsContact C-N 3.32Å; F36-A38 PolarHBondContact O-N 2.64Å; F36-A39 PolarHBondContact O-N 3.37Å; F36-K40 HydrophobicContact CD1-CD 4.42Å; F36-K40 HydrophobicContact CE1-CB 4.45Å; F36-K40 HydrophobicContact CE1-CD 3.64Å; F36-K40 HydrophobicContact CZ-CD 4.1Å; F36-K40 WeakPolarHBondContact O-CB 3.3Å; F36-K40 PolarHBondContact O-N 2.83Å; F36-F72 HydrophobicContact CD2-CD1 4Å; F36-F72 HydrophobicContact CE2-CB 4.43Å; F36-F72 AromaticContact CE2-CD1 3.79Å; F36-F72 HydrophobicContact CE2-CD1 3.79Å; F36-P73 HydrophobicContact CD2-CB 4.28Å; F36-P73 HydrophobicContact CD2-CG 4.03Å; F36-P73 HydrophobicContact CE2-CB 3.94Å; F36-P73 HydrophobicContact CE2-CG 4.1Å; F36-P73 WeakPolarHBondContact CE2-O 3.26Å; F36-M79 HydrophobicContact CB-CE 3.56Å; F36-M79 HydrophobicContact CB-SD 4.2Å; F36-M79 HydrophobicContact CD1-CE 3.57Å; F36-M79 HydrophobicContact CD2-CE 3.45Å; F36-M79 VanDerWaalsContact CD2-CE 3.45Å; F36-M79 HydrophobicContact CE1-CE 4.05Å; F36-M79 HydrophobicContact CE2-CE 3.94Å; F36-M79 HydrophobicContact CG-CE 3.23Å; F36-M79 HydrophobicContact CG-SD 4.46Å; F36-M79 HydrophobicContact CZ-CE 4.21Å; F36-L98 HydrophobicContact CB-CD2 4.31Å; F36-L98 HydrophobicContact CD2-CD2 3.79Å
37T92.4Very high94.7Very high22 Ų2226.7 Ų26.714%0.13513%0.133CC..Hα-helixtrans-61-42.5178.1-59.90000111.4L14 P33 Y34 W35 K40 S41L14-T37 HydrophobicContact CB-CG2 4.09Å; L14-T37 WeakPolarHBondContact CB-OG1 3.43Å; P33-T37 PolarHBondContact O-N 3.43Å; P33-T37 VanDerWaalsContact O-N 3.1Å; P33-T37 PolarHBondContact O-OG1 3.06Å; Y34-T37 WeakPolarHBondContact O-CB 3.28Å; Y34-T37 PolarHBondContact O-N 2.98Å; Y34-T37 VanDerWaalsContact O-N 3.13Å; W35-T37 VanDerWaalsContact C-N 3.33Å; W35-T37 PolarHBondContact O-N 2.94Å; T37-K40 PolarHBondContact O-N 2.91Å; T37-S41 PolarHBondContact O-N 3.28Å
38A92Very high94.8Very high6 Ų626.7 Ų26.75%0.0513%0.133CC..Hα-helixtrans-60.2-51175.600000111.7Y34 W35 F36 K40 S41 N422 I423Y34-A38 PolarHBondContact O-N 2.78Å; W35-A38 WeakPolarHBondContact O-CB 3.4Å; W35-A38 PolarHBondContact O-N 3.4Å; F36-A38 VanDerWaalsContact C-N 3.32Å; F36-A38 PolarHBondContact O-N 2.64Å; A38-K40 PolarHBondContact O-N 3.09Å; A38-S41 PolarHBondContact O-N 2.87Å; A38-S41 PolarHBondContact O-OG 2.76Å; A38-N422 HydrophobicContact CB-CB 4.27Å; A38-I423 HydrophobicContact CB-CB 4Å; A38-I423 HydrophobicContact CB-CG2 3.71Å
39A93.6Very high94.9Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-64.3-38.4178.500000112.6W35 F36 S41 F42 N44 F72 L98W35-A39 PolarHBondContact O-N 3.29Å; F36-A39 PolarHBondContact O-N 3.37Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.23Å; A39-F42 CarbonylContact O-C 3.53Å; A39-F42 WeakPolarHBondContact O-CA 3.34Å; A39-F42 PolarHBondContact O-N 2.77Å; A39-N44 WeakPolarHBondContact O-CA 3.4Å; A39-N44 PolarHBondContact O-N 2.86Å; A39-N44 VanDerWaalsContact O-N 3.13Å; A39-F72 HydrophobicContact CB-CE1 3.69Å; A39-F72 HydrophobicContact CB-CZ 3.92Å; A39-L98 HydrophobicContact CB-CD2 4.36Å
40K92.3Very high95Very high76 Ų7626.6 Ų26.633%0.3313%0.133SC..Hα-helixtrans-62.3-38.7176.7-175.1175.7178-176.70112.2L12 F36 T37 A38 F42 N43 N44L12-K40 PolarHBondContact O-NZ 2.93Å; F36-K40 HydrophobicContact CD1-CD 4.42Å; F36-K40 HydrophobicContact CE1-CB 4.45Å; F36-K40 HydrophobicContact CE1-CD 3.64Å; F36-K40 HydrophobicContact CZ-CD 4.1Å; F36-K40 WeakPolarHBondContact O-CB 3.3Å; F36-K40 PolarHBondContact O-N 2.83Å; T37-K40 PolarHBondContact O-N 2.91Å; A38-K40 PolarHBondContact O-N 3.09Å; K40-F42 PolarHBondContact O-N 3.05Å; K40-F42 VanDerWaalsContact O-N 3.13Å; K40-N43 PolarHBondContact O-N 2.72Å; K40-N43 VanDerWaalsContact O-N 3.15Å; K40-N44 WeakPolarHBondContact CA-OD1 3.46Å
41S90.8Very high95.1Very high36 Ų3626.6 Ų26.625%0.25213%0.133SC..Hα-helixtrans-63.4-15.1174.778.80000113.7T37 A38 A39T37-S41 PolarHBondContact O-N 3.28Å; A38-S41 PolarHBondContact O-N 2.87Å; A38-S41 PolarHBondContact O-OG 2.76Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.23Å
42F91Very high95.2Very high15 Ų1526.6 Ų26.67%0.06613%0.133CC..THydrogen-bonded Turntrans-106.232.6175.9-80.8-103.2000112.7A39 K40 N44 K45 P231 N422A39-F42 CarbonylContact O-C 3.53Å; A39-F42 WeakPolarHBondContact O-CA 3.34Å; A39-F42 PolarHBondContact O-N 2.77Å; K40-F42 PolarHBondContact O-N 3.05Å; K40-F42 VanDerWaalsContact O-N 3.13Å; F42-N44 VanDerWaalsContact C-N 3.3Å; F42-N44 PolarHBondContact O-N 2.78Å; F42-K45 HydrophobicContact CB-CB 4.28Å; F42-K45 WeakPolarHBondContact O-CB 3.44Å; F42-K45 WeakPolarHBondContact O-CD 3.48Å; F42-K45 WeakPolarHBondContact O-CG 3.32Å; F42-K45 PolarHBondContact O-N 3.17Å; F42-P231 HydrophobicContact CB-CB 4.12Å; F42-P231 HydrophobicContact CB-CG 3.81Å; F42-P231 HydrophobicContact CD1-CB 4.42Å; F42-P231 HydrophobicContact CD2-CB 3.89Å; F42-P231 HydrophobicContact CG-CB 3.87Å; F42-P231 HydrophobicContact CG-CG 4.05Å; F42-N422 HydrophobicContact CE2-CB 4.3Å; F42-N422 VanDerWaalsContact CE2-CG 3.45Å; F42-N422 WeakPolarHBondContact CE2-ND2 3.41Å; F42-N422 WeakPolarHBondContact CZ-ND2 3.33Å
43N91.5Very high95.2Very high128 Ų12826.6 Ų26.668%0.68413%0.133SC*.THydrogen-bonded Turntrans5642.6-178.2-60.2-39.3000112.5K40 K45K40-N43 PolarHBondContact O-N 2.72Å; K40-N43 VanDerWaalsContact O-N 3.15Å; N43-K45 PolarHBondContact O-N 3.23Å
44N92.6Very high95.1Very high81 Ų8126.6 Ų26.643%0.43313%0.133SC..THydrogen-bonded Turntrans5731.9-179.3-52.5-25.3000112.9A39 K40 F42 F72A39-N44 WeakPolarHBondContact O-CA 3.4Å; A39-N44 PolarHBondContact O-N 2.86Å; A39-N44 VanDerWaalsContact O-N 3.13Å; K40-N44 WeakPolarHBondContact CA-OD1 3.46Å; F42-N44 VanDerWaalsContact C-N 3.3Å; F42-N44 PolarHBondContact O-N 2.78Å; N44-F72 VanDerWaalsContact C-CZ 3.5Å; N44-F72 HydrophobicContact CB-CD1 4.05Å; N44-F72 HydrophobicContact CB-CD2 3.93Å; N44-F72 HydrophobicContact CB-CE1 3.92Å; N44-F72 HydrophobicContact CB-CE2 3.79Å; N44-F72 HydrophobicContact CB-CG 4.06Å; N44-F72 HydrophobicContact CB-CZ 3.81Å; N44-F72 WeakPolarHBondContact O-CE2 3.49Å; N44-F72 VanDerWaalsContact O-CZ 3.28Å; N44-F72 WeakPolarHBondContact O-CZ 3.19Å
45K93.2Very high95Very high95 Ų9525.6 Ų25.641%0.41313%0.129SC..PPolyproline II helixtrans-70.3140168.7-76.7175.9-179.6-178.80109.2F42 N43 A47 L230 P231F42-K45 HydrophobicContact CB-CB 4.28Å; F42-K45 WeakPolarHBondContact O-CB 3.44Å; F42-K45 WeakPolarHBondContact O-CD 3.48Å; F42-K45 WeakPolarHBondContact O-CG 3.32Å; F42-K45 PolarHBondContact O-N 3.17Å; N43-K45 PolarHBondContact O-N 3.23Å; K45-A47 PolarHBondContact O-N 2.87Å; K45-L230 HydrophobicContact CD-CD2 4.47Å; K45-P231 HydrophobicContact CB-CG 4.27Å; K45-P231 WeakPolarHBondContact O-CG 3.41Å
46K95.5Very high94.9Very high51 Ų5127.5 Ų27.522%0.22214%0.143CC..PPolyproline II helixtrans-60.8135.5172.7-56.3-161.9166.8-167.90110.4N97 L98 Q100K46-N97 WeakPolarHBondContact CE-OD1 3.35Å; K46-N97 WeakPolarHBondContact CG-O 3.38Å; K46-N97 PolarHBondContact NZ-OD1 3.38Å; K46-L98 CarbonylContact C-O 3.44Å; K46-L98 WeakPolarHBondContact CA-O 3.03Å; K46-Q100 HydrophobicContact CB-CB 3.58Å; K46-Q100 HydrophobicContact CB-CG 3.6Å; K46-Q100 HydrophobicContact CD-CB 3.78Å; K46-Q100 HydrophobicContact CG-CB 4.31Å
47A96.6Very high94.8Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-85.9159.4-179.200000112.9K45 L98 Q100 P231 I233K45-A47 PolarHBondContact O-N 2.87Å; A47-L98 PolarHBondContact N-O 3.33Å; A47-Q100 VanDerWaalsContact O-CG 3.29Å; A47-Q100 WeakPolarHBondContact O-CG 3.37Å; A47-Q100 PolarHBondContact O-N 3.32Å; A47-P231 CarbonylContact C-O 3.22Å; A47-P231 VanDerWaalsContact CA-O 3.23Å; A47-P231 WeakPolarHBondContact CA-O 3.34Å; A47-P231 HydrophobicContact CB-CB 4.16Å; A47-P231 HydrophobicContact CB-CG 3.96Å; A47-P231 WeakPolarHBondContact CB-O 3.38Å; A47-I233 HydrophobicContact CB-CD1 3.52Å; A47-I233 HydrophobicContact CB-CG1 3.94Å
48V97.3Very high94.9Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-91.9125.4158.3-179.90000106.7T101 Y103 L195 L230 P231 L232 I233V48-T101 WeakPolarHBondContact CA-O 3.43Å; V48-T101 HydrophobicContact CG1-CG2 4.23Å; V48-Y103 HydrophobicContact CG1-CD2 3.91Å; V48-Y103 HydrophobicContact CG1-CE2 3.71Å; V48-L195 HydrophobicContact CG1-CD2 3.87Å; V48-L230 HydrophobicContact CG2-CB 4.26Å; V48-L230 HydrophobicContact CG2-CD1 4.14Å; V48-P231 PolarHBondContact N-O 3.35Å; V48-L232 HydrophobicContact CB-CD1 4.03Å; V48-L232 HydrophobicContact CG1-CD1 3.96Å; V48-L232 WeakPolarHBondContact O-CA 3.1Å; V48-I233 PolarHBondContact O-N 2.87Å
49L98.4Very high95Very high0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-98.9131.4171.7178.666.6000109.1W35 H51 I90 I99 T101 V102 Y103 I233 D235W35-L49 HydrophobicContact CH2-CD1 3.76Å; W35-L49 HydrophobicContact CH2-CD2 3.68Å; W35-L49 HydrophobicContact CH2-CG 4.4Å; W35-L49 HydrophobicContact CZ2-CD1 3.61Å; W35-L49 HydrophobicContact CZ2-CD2 4.36Å; W35-L49 HydrophobicContact CZ3-CD1 4.45Å; W35-L49 HydrophobicContact CZ3-CD2 4.2Å; L49-H51 HydrophobicContact CD2-CB 4.22Å; L49-H51 HydrophobicContact CG-CB 4.31Å; L49-I90 HydrophobicContact CD2-CD1 4.11Å; L49-I90 HydrophobicContact CD2-CG1 4.29Å; L49-I90 HydrophobicContact CD2-CG2 3.81Å; L49-I99 HydrophobicContact CB-CD1 4.13Å; L49-I99 HydrophobicContact CB-CG2 4.09Å; L49-I99 HydrophobicContact CD2-CD1 3.92Å; L49-T101 PolarHBondContact N-O 3.38Å; L49-V102 HydrophobicContact CB-CG2 4.47Å; L49-V102 HydrophobicContact CD2-CG1 4.24Å; L49-V102 HydrophobicContact CD2-CG2 4.46Å; L49-Y103 PolarHBondContact O-N 3.19Å; L49-I233 HydrophobicContact CD1-CB 3.93Å; L49-I233 HydrophobicContact CD1-CG2 3.52Å; L49-D235 HydrophobicContact CD1-CB 3.92Å
50I98.6Very high95.1Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-110.4109.8159-59.7172.9000105.9I52 Y103 I105 L195 L232 I233 L234 D235 I417I50-I52 HydrophobicContact CG2-CD1 4.49Å; I50-I52 HydrophobicContact CG2-CG1 4.14Å; I50-Y103 CarbonylContact C-O 3.47Å; I50-Y103 WeakPolarHBondContact CA-O 3.41Å; I50-Y103 HydrophobicContact CG1-CD2 4.25Å; I50-I105 HydrophobicContact CG2-CD1 3.6Å; I50-I105 HydrophobicContact CG2-CG1 4.36Å; I50-L195 HydrophobicContact CD1-CD1 3.73Å; I50-L195 HydrophobicContact CD1-CD2 4.25Å; I50-L232 HydrophobicContact CD1-CD1 3.84Å; I50-L232 HydrophobicContact CG1-CD1 3.98Å; I50-I233 PolarHBondContact N-O 3.19Å; I50-L234 HydrophobicContact CB-CD1 4.1Å; I50-L234 HydrophobicContact CG2-CD1 3.95Å; I50-D235 PolarHBondContact O-N 3.49Å; I50-I417 HydrophobicContact CD1-CD1 3.89Å; I50-I417 HydrophobicContact CD1-CG1 4Å
51H98.7Very high95.3Very high0 Ų026.6 Ų26.60%014%0.14CC..EExtended strand (participates in β ladder)trans-100.6125175.1-167.144000108.9L49 D53 D57 I90 Y103 I104 I105 D235L49-H51 HydrophobicContact CD2-CB 4.22Å; L49-H51 HydrophobicContact CG-CB 4.31Å; H51-D53 IonicContact CD2-OD2 3.28Å; H51-D53 IonicContact CE1-OD2 2.88Å; H51-D53 PolarHBondContact CE1-OD2 3.08Å; H51-D53 VanDerWaalsContact CE1-OD2 3.28Å; H51-D53 VanDerWaalsContact NE2-CB 3.34Å; H51-D53 WeakPolarHBondContact NE2-CB 3.43Å; H51-D53 IonicContact NE2-OD2 2.73Å; H51-D53 PolarHBondContact NE2-OD2 3.05Å; H51-D57 IonicContact CD2-OD2 3.52Å; H51-D57 IonicContact CE1-OD2 2.63Å; H51-D57 IonicContact NE2-OD2 2.96Å; H51-D57 PolarHBondContact NE2-OD2 3.41Å; H51-I90 HydrophobicContact CB-CD1 4.41Å; H51-Y103 PolarHBondContact N-O 3.26Å; H51-I104 CarbonylContact O-C 3.44Å; H51-I104 WeakPolarHBondContact O-CA 3.2Å; H51-I105 PolarHBondContact O-N 2.89Å; H51-D235 WeakPolarHBondContact CA-O 3.29Å; H51-D235 IonicContact CE1-OD2 2.73Å; H51-D235 PolarHBondContact CE1-OD2 3.46Å; H51-D235 IonicContact ND1-OD2 3.18Å; H51-D235 PolarHBondContact ND1-OD2 3.39Å
52I98.7Very high95.6Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-117111179.3-59-179.3000107.5I50 I105 L234 D235 I236 D237 F240 F410 I413 L414I50-I52 HydrophobicContact CG2-CD1 4.49Å; I50-I52 HydrophobicContact CG2-CG1 4.14Å; I52-I105 HydrophobicContact CG1-CB 4.25Å; I52-I105 HydrophobicContact CG1-CD1 4.27Å; I52-L234 HydrophobicContact CD1-CD1 3.96Å; I52-L234 HydrophobicContact CG1-CD1 4.46Å; I52-D235 PolarHBondContact N-O 3.02Å; I52-I236 HydrophobicContact CD1-CG1 4.42Å; I52-D237 PolarHBondContact O-N 3.42Å; I52-F240 HydrophobicContact CG2-CB 4.14Å; I52-F240 HydrophobicContact CG2-CD1 4.17Å; I52-F240 HydrophobicContact CG2-CD2 3.31Å; I52-F240 HydrophobicContact CG2-CE1 4.45Å; I52-F240 HydrophobicContact CG2-CE2 3.64Å; I52-F240 HydrophobicContact CG2-CG 3.61Å; I52-F240 HydrophobicContact CG2-CZ 4.21Å; I52-F410 HydrophobicContact CD1-CD2 4.01Å; I52-F410 HydrophobicContact CD1-CE2 3.74Å; I52-F410 HydrophobicContact CG2-CD2 4.27Å; I52-F410 HydrophobicContact CG2-CE2 4.41Å; I52-I413 HydrophobicContact CD1-CG2 3.99Å; I52-L414 HydrophobicContact CD1-CD2 4.34Å
53D98Very high95.8Very high0 Ų032.1 Ų32.10%016%0.163CC..  trans-160.2154.8-162-166.3-54000109.9H28 H51 H55 I105 Y106 P107 D237H28-D53 IonicContact CE1-OD2 2.78Å; H28-D53 PolarHBondContact CE1-OD2 3.42Å; H28-D53 IonicContact ND1-OD2 3.06Å; H51-D53 IonicContact CD2-OD2 3.28Å; H51-D53 IonicContact CE1-OD2 2.88Å; H51-D53 PolarHBondContact CE1-OD2 3.08Å; H51-D53 VanDerWaalsContact CE1-OD2 3.28Å; H51-D53 VanDerWaalsContact NE2-CB 3.34Å; H51-D53 WeakPolarHBondContact NE2-CB 3.43Å; H51-D53 IonicContact NE2-OD2 2.73Å; H51-D53 PolarHBondContact NE2-OD2 3.05Å; D53-H55 VanDerWaalsContact C-N 3.33Å; D53-H55 WeakPolarHBondContact CB-O 3.33Å; D53-H55 IonicContact OD1-CD2 2.7Å; D53-H55 IonicContact OD1-CE1 3.76Å; D53-H55 IonicContact OD1-CG 3.66Å; D53-H55 PolarHBondContact OD1-N 2.87Å; D53-H55 IonicContact OD1-ND1 3.94Å; D53-H55 PolarHBondContact OD1-ND1 2.83Å; D53-I105 PolarHBondContact N-O 3.16Å; D53-Y106 WeakPolarHBondContact O-CA 3.35Å; D53-P107 WeakPolarHBondContact O-CD 3.17Å; D53-D237 HydrophobicContact CB-CB 4.25Å
54A96.2Very high96.1Very high3 Ų327.4 Ų27.43%0.02514%0.139CC..SBendtrans-73-24.4172.800000113.7P107 W109 T110 D239 V243 I393A54-P107 HydrophobicContact CB-CG 4.38Å; A54-W109 HydrophobicContact CB-CH2 3.57Å; A54-W109 HydrophobicContact CB-CZ2 3.89Å; A54-T110 HydrophobicContact CB-CG2 4.2Å; A54-T110 WeakPolarHBondContact O-CG2 3.39Å; A54-T110 PolarHBondContact O-OG1 3.15Å; A54-D239 WeakPolarHBondContact CB-OD1 3.25Å; A54-D239 WeakPolarHBondContact CB-OD2 2.94Å; A54-D239 PolarHBondContact N-OD1 2.73Å; A54-V243 HydrophobicContact CB-CG2 4.14Å; A54-I393 HydrophobicContact CB-CD1 3.3Å
55H94.5Very high96.2Very high16 Ų1630.5 Ų30.57%0.07416%0.155CC..SBendtrans-132.8-171.6174.95469.9000112.8D53 D57 Y106 D239 Y434D53-H55 VanDerWaalsContact C-N 3.33Å; D53-H55 WeakPolarHBondContact CB-O 3.33Å; D53-H55 IonicContact OD1-CD2 2.7Å; D53-H55 IonicContact OD1-CE1 3.76Å; D53-H55 IonicContact OD1-CG 3.66Å; D53-H55 PolarHBondContact OD1-N 2.87Å; D53-H55 IonicContact OD1-ND1 3.94Å; D53-H55 PolarHBondContact OD1-ND1 2.83Å; H55-D57 IonicContact CE1-OD1 3.42Å; H55-D57 PolarHBondContact CE1-OD1 2.98Å; H55-D57 IonicContact ND1-OD1 3.56Å; H55-D57 PolarHBondContact ND1-OD1 2.81Å; H55-Y106 VanDerWaalsContact C-CE1 3.5Å; H55-Y106 WeakPolarHBondContact O-CE1 3.47Å; H55-D239 IonicContact CD2-OD2 3.04Å; H55-D239 IonicContact NE2-OD2 3.76Å; H55-Y434 AromaticContact CD2-CD1 3.98Å; H55-Y434 AromaticContact CD2-CE1 3.45Å; H55-Y434 VanDerWaalsContact CD2-CE1 3.45Å; H55-Y434 WeakPolarHBondContact CD2-CE1 3.18Å; H55-Y434 AromaticContact CD2-CZ 3.99Å; H55-Y434 AromaticContact NE2-CD1 3.51Å; H55-Y434 AromaticContact NE2-CE1 3.03Å; H55-Y434 WeakPolarHBondContact NE2-CE1 3.46Å; H55-Y434 AromaticContact NE2-CE2 3.84Å; H55-Y434 AromaticContact NE2-CZ 3.21Å
56S93.6Very high96.4Very high41 Ų4131.1 Ų31.129%0.28716%0.16SC..  trans-94.8-32.1-163.161.90000115.7M58 I104 Y106S56-M58 VanDerWaalsContact O-CG 3.3Å; S56-M58 WeakPolarHBondContact O-CG 3.34Å; S56-M58 PolarHBondContact O-N 3.47Å; S56-I104 VanDerWaalsContact O-CD1 3.29Å; S56-I104 WeakPolarHBondContact O-CD1 3.35Å; S56-Y106 VanDerWaalsContact CB-OH 3.31Å; S56-Y106 WeakPolarHBondContact CB-OH 3.32Å
57D94.9Very high96.5Very high2 Ų229.3 Ų29.31%0.01115%0.152CC..  trans50.339.1-169.8-50.2-16.4000114.8H28 H51 H55 D87 F89 I90H28-D57 IonicContact CE1-OD2 3.67Å; H28-D57 PolarHBondContact CE1-OD2 2.89Å; H28-D57 VanDerWaalsContact CE1-OD2 3.24Å; H28-D57 IonicContact CG-OD2 2.73Å; H28-D57 IonicContact ND1-OD2 3.42Å; H28-D57 PolarHBondContact ND1-OD2 3.41Å; H51-D57 IonicContact CD2-OD2 3.52Å; H51-D57 IonicContact CE1-OD2 2.63Å; H51-D57 IonicContact NE2-OD2 2.96Å; H51-D57 PolarHBondContact NE2-OD2 3.41Å; H55-D57 IonicContact CE1-OD1 3.42Å; H55-D57 PolarHBondContact CE1-OD1 2.98Å; H55-D57 IonicContact ND1-OD1 3.56Å; H55-D57 PolarHBondContact ND1-OD1 2.81Å; D57-D87 CarbonylContact C-O 3.59Å; D57-F89 HydrophobicContact CB-CD1 4.19Å; D57-F89 HydrophobicContact CB-CE1 3.39Å; D57-F89 HydrophobicContact CB-CZ 4.12Å; D57-F89 WeakPolarHBondContact OD2-CE1 3.14Å; D57-I90 HydrophobicContact CB-CD1 3.87Å; D57-I90 HydrophobicContact CB-CG1 4.24Å; D57-I90 WeakPolarHBondContact O-CB 3.5Å; D57-I90 WeakPolarHBondContact O-CG1 3.37Å
58M94.9Very high96.5Very high18 Ų1829.3 Ų29.39%0.08915%0.152CC..  trans-117.938.2-175.3-73.1-75-68.200110.7S56 D87 I90 Q91 I94 I104 Y173 Y175S56-M58 VanDerWaalsContact O-CG 3.3Å; S56-M58 WeakPolarHBondContact O-CG 3.34Å; S56-M58 PolarHBondContact O-N 3.47Å; M58-D87 PolarHBondContact N-O 3.15Å; M58-I90 HydrophobicContact SD-CB 3.65Å; M58-I90 HydrophobicContact SD-CG2 3.31Å; M58-I90 WeakPolarHBondContact SD-CG2 3.38Å; M58-Q91 HydrophobicContact CE-CG 4.13Å; M58-Q91 PolarHBondContact O-NE2 3.47Å; M58-Q91 HydrophobicContact SD-CG 4.2Å; M58-I94 HydrophobicContact CE-CD1 4Å; M58-I94 HydrophobicContact SD-CD1 4.4Å; M58-I104 HydrophobicContact CG-CD1 3.71Å; M58-Y173 HydrophobicContact CE-CE2 3.94Å; M58-Y173 VanDerWaalsContact CE-OH 3.3Å; M58-Y173 WeakPolarHBondContact CE-OH 3.44Å; M58-Y175 HydrophobicContact CE-CD2 4.09Å; M58-Y175 HydrophobicContact CE-CE2 3.93Å; M58-Y175 HydrophobicContact CG-CE2 4.23Å
59D94.3Very high96.5Very high59 Ų5932.6 Ų32.632%0.31617%0.169SC..PPolyproline II helixtrans-78.9167168.3-157.21000111.2D87 E88 Q91 R151D59-D87 WeakPolarHBondContact CA-O 3.29Å; D59-D87 HydrophobicContact CB-CB 3.94Å; D59-D87 WeakPolarHBondContact CB-O 3.44Å; D59-D87 PolarHBondContact N-O 2.83Å; D59-E88 HydrophobicContact CB-CG 4.18Å; D59-Q91 WeakPolarHBondContact O-CB 3.48Å; D59-Q91 VanDerWaalsContact O-CD 3.25Å; D59-Q91 VanDerWaalsContact O-CG 3.31Å; D59-Q91 WeakPolarHBondContact O-CG 3.48Å; D59-Q91 PolarHBondContact O-NE2 2.86Å; D59-R151 IonicContact OD1-CZ 2.93Å; D59-R151 IonicContact OD1-NE 3.71Å; D59-R151 IonicContact OD1-NH2 3.8Å; D59-R151 PolarHBondContact OD1-NH2 3.34Å; D59-R151 IonicContact OD2-CZ 3.74Å; D59-R151 IonicContact OD2-NE 2.75Å; D59-R151 IonicContact OD2-NH2 2.81Å; D59-R151 PolarHBondContact OD2-NH2 2.84Å
60Y95.7Very high96.4Very high9 Ų933.9 Ų33.94%0.03518%0.182CC..PPolyproline II helixtrans-85.9122.8-172.1-53.4-83.5000111.9I132 M134 K149 R151 D159Y60-I132 HydrophobicContact CD1-CB 4.1Å; Y60-I132 HydrophobicContact CD1-CG2 3.86Å; Y60-M134 HydrophobicContact CE1-CB 3.91Å; Y60-K149 WeakPolarHBondContact OH-CG 3.28Å; Y60-R151 HydrophobicContact CD2-CB 3.83Å; Y60-R151 HydrophobicContact CE2-CB 4.3Å; Y60-R151 PolarHBondContact O-NH1 3.04Å; Y60-R151 PolarHBondContact O-NH2 3.16Å; Y60-D159 WeakPolarHBondContact CE2-OD1 3.05Å; Y60-D159 PolarHBondContact OH-OD1 2.85Å
61P96.6Very high96.3Very high4 Ų436.2 Ų36.23%0.02619%0.193CC..PPolyproline II helixtrans-67.3155.2171.828.8-35.1000111.8F67 E88 Q91 S92 I95 I132P61-F67 HydrophobicContact CB-CE2 4.05Å; P61-F67 HydrophobicContact CB-CZ 3.96Å; P61-F67 HydrophobicContact CG-CE2 4.44Å; P61-F67 HydrophobicContact CG-CZ 3.85Å; P61-E88 HydrophobicContact CB-CB 4.18Å; P61-Q91 HydrophobicContact CG-CB 4.44Å; P61-S92 WeakPolarHBondContact CB-OG 3.29Å; P61-S92 WeakPolarHBondContact CG-OG 3.29Å; P61-I95 HydrophobicContact CG-CD1 3.83Å; P61-I132 HydrophobicContact CG-CG1 4.33Å
62E95.9Very high96.2Very high120 Ų12037.6 Ų37.656%0.56120%0.199SC*.PPolyproline II helixtrans-73.8140.5169.1-61.4-165.7162.600111.2V64 Q84E62-V64 HydrophobicContact CB-CG1 4.07Å; E62-V64 PolarHBondContact O-N 2.75Å; E62-V64 VanDerWaalsContact O-N 3.13Å; E62-Q84 PolarHBondContact O-NE2 2.79Å
63L96.2Very high96.1Very high47 Ų4737.9 Ų37.925%0.24620%0.201CC..  trans-8289.8172.8-73.1179.4000109.7F67 I69 I123 K130 I132L63-F67 HydrophobicContact CD2-CD1 4.41Å; L63-I69 HydrophobicContact CD2-CD1 3.85Å; L63-I69 HydrophobicContact CD2-CG1 4.24Å; L63-I123 HydrophobicContact CD1-CD1 4.19Å; L63-I123 HydrophobicContact CD1-CG1 4.16Å; L63-I123 HydrophobicContact CD1-CG2 3.94Å; L63-K130 HydrophobicContact CD1-CB 3.95Å; L63-I132 HydrophobicContact CD1-CD1 4.14Å; L63-I132 HydrophobicContact CD2-CD1 3.52Å; L63-I132 HydrophobicContact CD2-CG1 4.23Å; L63-I132 HydrophobicContact CG-CD1 3.89Å; L63-I132 HydrophobicContact CG-CG1 4.24Å
64V96.6Very high96Very high29 Ų2946.8 Ų46.818%0.17623%0.234CC..  trans-98.1166.9178.8-60.40000112.3E62 F67 T81 Y373E62-V64 HydrophobicContact CB-CG1 4.07Å; E62-V64 PolarHBondContact O-N 2.75Å; E62-V64 VanDerWaalsContact O-N 3.13Å; V64-F67 HydrophobicContact CG2-CB 4.23Å; V64-F67 HydrophobicContact CG2-CD2 4.13Å; V64-F67 VanDerWaalsContact O-CB 3.27Å; V64-F67 WeakPolarHBondContact O-CB 3.42Å; V64-F67 PolarHBondContact O-N 3.09Å; V64-T81 HydrophobicContact CG2-CG2 3.85Å; V64-Y373 HydrophobicContact CB-CE1 4.13Å; V64-Y373 HydrophobicContact CG1-CE1 3.99Å; V64-Y373 HydrophobicContact CG2-CE1 3.88Å
65D96.3Very high95.9Very high146 Ų14648.5 Ų48.578%0.78125%0.246SC*.THydrogen-bonded Turntrans-59.5141.7172.5-73-24.2000110.4F67 T81D65-F67 PolarHBondContact O-N 3.35Å; D65-T81 WeakPolarHBondContact O-CG2 3.4Å
66E96.2Very high95.9Very high109 Ų10949.1 Ų49.151%0.50925%0.25SS..THydrogen-bonded Turntrans61.917.9-176-50.5-176.4158.900114.2N77 E78 T81E66-N77 WeakPolarHBondContact OE2-CB 3.19Å; E66-N77 PolarHBondContact OE2-ND2 2.86Å; E66-E78 HydrophobicContact CB-CG 4.44Å; E66-E78 WeakPolarHBondContact O-CA 3.49Å; E66-E78 WeakPolarHBondContact O-CG 3.34Å; E66-T81 HydrophobicContact CB-CG2 4.42Å; E66-T81 PolarHBondContact O-OG1 3.22Å; E66-T81 VanDerWaalsContact O-OG1 3.09Å
67F97.6Very high96Very high12 Ų1250.5 Ų50.55%0.05326%0.255CS..  trans-67.6126.5166.8-160.3-90.7000109.9P61 L63 V64 D65 I69 T81 L82 Q84 I95P61-F67 HydrophobicContact CB-CE2 4.05Å; P61-F67 HydrophobicContact CB-CZ 3.96Å; P61-F67 HydrophobicContact CG-CE2 4.44Å; P61-F67 HydrophobicContact CG-CZ 3.85Å; L63-F67 HydrophobicContact CD2-CD1 4.41Å; V64-F67 HydrophobicContact CG2-CB 4.23Å; V64-F67 HydrophobicContact CG2-CD2 4.13Å; V64-F67 VanDerWaalsContact O-CB 3.27Å; V64-F67 WeakPolarHBondContact O-CB 3.42Å; V64-F67 PolarHBondContact O-N 3.09Å; D65-F67 PolarHBondContact O-N 3.35Å; F67-I69 VanDerWaalsContact C-N 3.27Å; F67-I69 HydrophobicContact CB-CG1 4.43Å; F67-I69 HydrophobicContact CD1-CG1 3.81Å; F67-I69 PolarHBondContact O-N 2.94Å; F67-T81 WeakPolarHBondContact CD2-O 3.26Å; F67-T81 VanDerWaalsContact CE2-O 3.23Å; F67-T81 WeakPolarHBondContact CE2-O 3.26Å; F67-L82 HydrophobicContact CD2-CD2 4.49Å; F67-L82 HydrophobicContact CE1-CD2 4.24Å; F67-L82 HydrophobicContact CE2-CD2 3.88Å; F67-L82 HydrophobicContact CZ-CD2 3.76Å; F67-Q84 VanDerWaalsContact CE2-NE2 3.28Å; F67-I95 HydrophobicContact CD1-CG2 4.36Å; F67-I95 HydrophobicContact CE1-CB 4.1Å; F67-I95 HydrophobicContact CE1-CD1 4.28Å; F67-I95 HydrophobicContact CE1-CG2 3.75Å
68P97.3Very high96.1Very high0 Ų052 Ų520%026%0.261CS..  trans-7970.7-171.932.4-36.8000112.1G70 P73 E78 T81 L82 A96P68-G70 PolarHBondContact O-N 2.87Å; P68-G70 VanDerWaalsContact O-N 3.1Å; P68-P73 HydrophobicContact CB-CG 4.47Å; P68-P73 HydrophobicContact CG-CG 4.11Å; P68-E78 HydrophobicContact CB-CB 4.17Å; P68-E78 HydrophobicContact CB-CG 4.36Å; P68-E78 HydrophobicContact CG-CB 4.33Å; P68-T81 WeakPolarHBondContact CD-OG1 3.39Å; P68-L82 HydrophobicContact CG-CD1 4.07Å; P68-L82 HydrophobicContact CG-CD2 3.7Å; P68-L82 HydrophobicContact CG-CG 3.96Å; P68-A96 HydrophobicContact CG-CB 3.96Å; P68-A96 WeakPolarHBondContact O-CA 3.46Å
69I97.2Very high96.2Very high69 Ų6951.1 Ų51.135%0.35426%0.257SS..THydrogen-bonded Turntrans-67.6109.2-174.3-62.3171.9000110.8L63 F67 H71 I123 W171L63-I69 HydrophobicContact CD2-CD1 3.85Å; L63-I69 HydrophobicContact CD2-CG1 4.24Å; F67-I69 VanDerWaalsContact C-N 3.27Å; F67-I69 HydrophobicContact CB-CG1 4.43Å; F67-I69 HydrophobicContact CD1-CG1 3.81Å; F67-I69 PolarHBondContact O-N 2.94Å; I69-H71 VanDerWaalsContact C-N 3.32Å; I69-H71 PolarHBondContact O-CD2 2.92Å; I69-H71 PolarHBondContact O-N 3.41Å; I69-I123 HydrophobicContact CD1-CD1 4.21Å; I69-I123 HydrophobicContact CG2-CD1 4.06Å; I69-W171 HydrophobicContact CG2-CH2 3.58Å; I69-W171 HydrophobicContact CG2-CZ2 3.35Å
70G96.3Very high96.3Very high28 Ų2850.9 Ų50.929%0.28925%0.254SS..THydrogen-bonded Turntrans72.121.1174.100000115P68 I95 N97P68-G70 PolarHBondContact O-N 2.87Å; P68-G70 VanDerWaalsContact O-N 3.1Å; G70-I95 VanDerWaalsContact CA-O 3.29Å; G70-I95 WeakPolarHBondContact CA-O 3.5Å; G70-I95 PolarHBondContact N-O 3.21Å; G70-N97 PolarHBondContact O-ND2 3.13Å
71H97Very high96.4Very high48 Ų4850.6 Ų50.622%0.22225%0.253CS..SBendtrans-148.7157.2170.261.782.7000111.3I69 E78 A96I69-H71 VanDerWaalsContact C-N 3.32Å; I69-H71 PolarHBondContact O-CD2 2.92Å; I69-H71 PolarHBondContact O-N 3.41Å; H71-E78 IonicContact CE1-OE1 3.53Å; H71-E78 IonicContact CE1-OE2 2.93Å; H71-E78 PolarHBondContact CE1-OE2 2.99Å; H71-E78 IonicContact ND1-OE2 2.67Å; H71-A96 CarbonylContact C-O 3.55Å; H71-A96 VanDerWaalsContact C-O 3.22Å; H71-A96 CarbonylContact O-C 3.58Å
72F96Very high96.4Very high30 Ų3050.4 Ų50.413%0.13225%0.252CS..  trans-57.6143.6170.7-90.7-106.9000110.7F36 A39 N44 R74 A96 N97 L98F36-F72 HydrophobicContact CD2-CD1 4Å; F36-F72 HydrophobicContact CE2-CB 4.43Å; F36-F72 AromaticContact CE2-CD1 3.79Å; F36-F72 HydrophobicContact CE2-CD1 3.79Å; A39-F72 HydrophobicContact CB-CE1 3.69Å; A39-F72 HydrophobicContact CB-CZ 3.92Å; N44-F72 VanDerWaalsContact C-CZ 3.5Å; N44-F72 HydrophobicContact CB-CD1 4.05Å; N44-F72 HydrophobicContact CB-CD2 3.93Å; N44-F72 HydrophobicContact CB-CE1 3.92Å; N44-F72 HydrophobicContact CB-CE2 3.79Å; N44-F72 HydrophobicContact CB-CG 4.06Å; N44-F72 HydrophobicContact CB-CZ 3.81Å; N44-F72 WeakPolarHBondContact O-CE2 3.49Å; N44-F72 VanDerWaalsContact O-CZ 3.28Å; N44-F72 WeakPolarHBondContact O-CZ 3.19Å; F72-R74 WeakPolarHBondContact O-CG 3.41Å; F72-R74 PolarHBondContact O-N 3.21Å; F72-A96 WeakPolarHBondContact CA-O 3.23Å; F72-A96 PolarHBondContact N-O 3.03Å; F72-N97 HydrophobicContact CD2-CB 4.34Å; F72-N97 HydrophobicContact CE2-CB 4.47Å; F72-N97 WeakPolarHBondContact CE2-O 3.24Å; F72-L98 HydrophobicContact CD1-CD2 3.58Å; F72-L98 HydrophobicContact CE1-CD2 3.3Å; F72-L98 HydrophobicContact CE1-CG 4.45Å; F72-L98 HydrophobicContact CG-CD2 4.42Å; F72-L98 HydrophobicContact CZ-CD2 3.93Å
73P96.4Very high96.5Very high6 Ų644.7 Ų44.74%0.03923%0.225CC..  trans-52.8134.2171.5-27.233.3000112.4F36 P68 E78 M79 L82F36-P73 HydrophobicContact CD2-CB 4.28Å; F36-P73 HydrophobicContact CD2-CG 4.03Å; F36-P73 HydrophobicContact CE2-CB 3.94Å; F36-P73 HydrophobicContact CE2-CG 4.1Å; F36-P73 WeakPolarHBondContact CE2-O 3.26Å; P68-P73 HydrophobicContact CB-CG 4.47Å; P68-P73 HydrophobicContact CG-CG 4.11Å; P73-E78 WeakPolarHBondContact CA-OE2 3.5Å; P73-E78 HydrophobicContact CB-CB 4.2Å; P73-M79 HydrophobicContact CB-CE 3.68Å; P73-M79 HydrophobicContact CG-CE 3.87Å; P73-M79 HydrophobicContact CG-SD 4.32Å; P73-L82 HydrophobicContact CG-CD1 3.62Å
74R95.5Very high96.5Very high186 Ų18643.5 Ų43.570%0.70222%0.219SC*.  trans-112.7-14-177.6-60.5178.4179.3167.31.8112.9F72 E78F72-R74 WeakPolarHBondContact O-CG 3.41Å; F72-R74 PolarHBondContact O-N 3.21Å; R74-E78 PolarHBondContact N-OE2 3.48Å
75S95.5Very high96.4Very high39 Ų3943.4 Ų43.427%0.27322%0.219SC..SBendtrans-138.2165.2-179.673.70000110.7N77 E78 M79S75-N77 VanDerWaalsContact C-N 3.26Å; S75-N77 PolarHBondContact O-N 3.36Å; S75-N77 PolarHBondContact OG-N 2.96Å; S75-E78 PolarHBondContact O-N 2.8Å; S75-E78 WeakPolarHBondContact OG-CG 3.07Å; S75-E78 PolarHBondContact OG-N 2.82Å; S75-M79 PolarHBondContact O-N 2.77Å; S75-M79 VanDerWaalsContact O-N 3.16Å
76N93.8Very high96.3Very high29 Ų2937.1 Ų37.116%0.15519%0.186CC..Hα-helixtrans-65.3-33.1172.5-71.1-12.5000111.4L12 M79 Q80L12-N76 WeakPolarHBondContact CG-OD1 3.38Å; N76-M79 VanDerWaalsContact O-CB 3.3Å; N76-M79 WeakPolarHBondContact O-CB 3.25Å; N76-M79 PolarHBondContact O-N 2.82Å; N76-M79 VanDerWaalsContact O-N 3.17Å; N76-Q80 WeakPolarHBondContact O-CG 3.49Å; N76-Q80 PolarHBondContact O-N 2.85Å
77N95.6Very high96.2Very high71 Ų7134.2 Ų34.238%0.3817%0.174SC..Hα-helixtrans-67.2-43.3178.1-60.14.1000111.4E66 S75 M79 Q80 T81E66-N77 WeakPolarHBondContact OE2-CB 3.19Å; E66-N77 PolarHBondContact OE2-ND2 2.86Å; S75-N77 VanDerWaalsContact C-N 3.26Å; S75-N77 PolarHBondContact O-N 3.36Å; S75-N77 PolarHBondContact OG-N 2.96Å; N77-M79 PolarHBondContact O-N 2.88Å; N77-Q80 PolarHBondContact O-N 2.97Å; N77-Q80 VanDerWaalsContact O-N 3.11Å; N77-T81 WeakPolarHBondContact O-CG2 3.15Å; N77-T81 PolarHBondContact O-N 2.94Å
78E97.7Very high96.1Very high32 Ų3234.6 Ų34.615%0.1518%0.175CC..Hα-helixtrans-61.6-28.5172.9-72.9-176.8-170.400112E66 P68 H71 P73 R74 S75 T81E66-E78 HydrophobicContact CB-CG 4.44Å; E66-E78 WeakPolarHBondContact O-CA 3.49Å; E66-E78 WeakPolarHBondContact O-CG 3.34Å; P68-E78 HydrophobicContact CB-CB 4.17Å; P68-E78 HydrophobicContact CB-CG 4.36Å; P68-E78 HydrophobicContact CG-CB 4.33Å; H71-E78 IonicContact CE1-OE1 3.53Å; H71-E78 IonicContact CE1-OE2 2.93Å; H71-E78 PolarHBondContact CE1-OE2 2.99Å; H71-E78 IonicContact ND1-OE2 2.67Å; P73-E78 WeakPolarHBondContact CA-OE2 3.5Å; P73-E78 HydrophobicContact CB-CB 4.2Å; R74-E78 PolarHBondContact N-OE2 3.48Å; S75-E78 PolarHBondContact O-N 2.8Å; S75-E78 WeakPolarHBondContact OG-CG 3.07Å; S75-E78 PolarHBondContact OG-N 2.82Å; E78-T81 PolarHBondContact O-OG1 3.27Å
79M96.5Very high96.1Very high0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-71.5-44.3173.2-168.861.266.100111.5F11 L12 I32 P33 F36 P73 S75 N76 N77 T81 L82F11-M79 HydrophobicContact CB-CG 4.1Å; F11-M79 HydrophobicContact CD2-CB 4.37Å; F11-M79 HydrophobicContact CD2-CG 4.1Å; F11-M79 HydrophobicContact CG-CG 4.2Å; L12-M79 HydrophobicContact CD2-CE 4.34Å; I32-M79 HydrophobicContact CG2-SD 3.58Å; I32-M79 VanDerWaalsContact CG2-SD 3.58Å; P33-M79 HydrophobicContact CG-CG 4.33Å; F36-M79 HydrophobicContact CB-CE 3.56Å; F36-M79 HydrophobicContact CB-SD 4.2Å; F36-M79 HydrophobicContact CD1-CE 3.57Å; F36-M79 HydrophobicContact CD2-CE 3.45Å; F36-M79 VanDerWaalsContact CD2-CE 3.45Å; F36-M79 HydrophobicContact CE1-CE 4.05Å; F36-M79 HydrophobicContact CE2-CE 3.94Å; F36-M79 HydrophobicContact CG-CE 3.23Å; F36-M79 HydrophobicContact CG-SD 4.46Å; F36-M79 HydrophobicContact CZ-CE 4.21Å; P73-M79 HydrophobicContact CB-CE 3.68Å; P73-M79 HydrophobicContact CG-CE 3.87Å; P73-M79 HydrophobicContact CG-SD 4.32Å; S75-M79 PolarHBondContact O-N 2.77Å; S75-M79 VanDerWaalsContact O-N 3.16Å; N76-M79 VanDerWaalsContact O-CB 3.3Å; N76-M79 WeakPolarHBondContact O-CB 3.25Å; N76-M79 PolarHBondContact O-N 2.82Å; N76-M79 VanDerWaalsContact O-N 3.17Å; N77-M79 PolarHBondContact O-N 2.88Å; M79-T81 VanDerWaalsContact C-N 3.3Å; M79-T81 PolarHBondContact O-N 2.93Å; M79-L82 WeakPolarHBondContact O-CB 3.44Å; M79-L82 PolarHBondContact O-N 2.83Å
80Q96Very high96.2Very high55 Ų5531.3 Ų31.326%0.25716%0.158SC..Hα-helixtrans-61.9-37.9179.5-74.4177-27.100111.8S8 F11 N76 N77 L82 M83 Y373S8-Q80 VanDerWaalsContact CB-NE2 3.29Å; F11-Q80 HydrophobicContact CE2-CG 4.05Å; N76-Q80 WeakPolarHBondContact O-CG 3.49Å; N76-Q80 PolarHBondContact O-N 2.85Å; N77-Q80 PolarHBondContact O-N 2.97Å; N77-Q80 VanDerWaalsContact O-N 3.11Å; Q80-L82 PolarHBondContact O-N 3.24Å; Q80-L82 VanDerWaalsContact O-N 3.12Å; Q80-M83 HydrophobicContact CB-CE 4.46Å; Q80-M83 HydrophobicContact CG-CE 4.12Å; Q80-M83 WeakPolarHBondContact O-CB 3.42Å; Q80-M83 PolarHBondContact O-N 2.79Å; Q80-Y373 HydrophobicContact CB-CD2 4.33Å; Q80-Y373 WeakPolarHBondContact O-CB 3.07Å
81T97.6Very high96.2Very high2 Ų230 Ų301%0.01215%0.145CC..THydrogen-bonded Turntrans-66.5-12.3179.558.50000113.7V64 D65 E66 F67 P68 N77 E78 M79 Q84 Y373V64-T81 HydrophobicContact CG2-CG2 3.85Å; D65-T81 WeakPolarHBondContact O-CG2 3.4Å; E66-T81 HydrophobicContact CB-CG2 4.42Å; E66-T81 PolarHBondContact O-OG1 3.22Å; E66-T81 VanDerWaalsContact O-OG1 3.09Å; F67-T81 WeakPolarHBondContact CD2-O 3.26Å; F67-T81 VanDerWaalsContact CE2-O 3.23Å; F67-T81 WeakPolarHBondContact CE2-O 3.26Å; P68-T81 WeakPolarHBondContact CD-OG1 3.39Å; N77-T81 WeakPolarHBondContact O-CG2 3.15Å; N77-T81 PolarHBondContact O-N 2.94Å; E78-T81 PolarHBondContact O-OG1 3.27Å; M79-T81 VanDerWaalsContact C-N 3.3Å; M79-T81 PolarHBondContact O-N 2.93Å; T81-Q84 WeakPolarHBondContact O-CG 3.46Å; T81-Q84 PolarHBondContact O-NE2 2.77Å; T81-Y373 HydrophobicContact CG2-CD2 4.01Å; T81-Y373 HydrophobicContact CG2-CE2 3.51Å
82L97.9Very high96.3Very high0 Ų027.7 Ų27.70%013%0.134CC..THydrogen-bonded Turntrans-86.9-9.3172.1-60179.3000113.5I32 F67 P68 P73 M79 Q80 A96 L98I32-L82 HydrophobicContact CG2-CB 3.9Å; I32-L82 HydrophobicContact CG2-CD1 4.01Å; F67-L82 HydrophobicContact CD2-CD2 4.49Å; F67-L82 HydrophobicContact CE1-CD2 4.24Å; F67-L82 HydrophobicContact CE2-CD2 3.88Å; F67-L82 HydrophobicContact CZ-CD2 3.76Å; P68-L82 HydrophobicContact CG-CD1 4.07Å; P68-L82 HydrophobicContact CG-CD2 3.7Å; P68-L82 HydrophobicContact CG-CG 3.96Å; P73-L82 HydrophobicContact CG-CD1 3.62Å; M79-L82 WeakPolarHBondContact O-CB 3.44Å; M79-L82 PolarHBondContact O-N 2.83Å; Q80-L82 PolarHBondContact O-N 3.24Å; Q80-L82 VanDerWaalsContact O-N 3.12Å; L82-A96 HydrophobicContact CD1-CB 3.78Å; L82-A96 HydrophobicContact CD2-CB 3.86Å; L82-A96 HydrophobicContact CG-CB 4.49Å; L82-L98 HydrophobicContact CD1-CD1 3.98Å
83M97.3Very high96.4Very high0 Ų026.2 Ų26.20%013%0.128CC..  trans-103.846.7-175.7-67.1-168.6-64.600111.1F11 H29 I32 P33 Q80 T372 Y373F11-M83 HydrophobicContact CE1-CE 4.37Å; F11-M83 HydrophobicContact CE2-CE 3.82Å; F11-M83 HydrophobicContact CZ-CE 3.66Å; H29-M83 HydrophobicContact CB-CB 4.42Å; H29-M83 WeakPolarHBondContact O-CG 3.2Å; I32-M83 HydrophobicContact CB-CG 4.06Å; I32-M83 HydrophobicContact CG1-CG 4.36Å; I32-M83 HydrophobicContact CG2-CG 4.45Å; P33-M83 HydrophobicContact CG-SD 3.94Å; Q80-M83 HydrophobicContact CB-CE 4.46Å; Q80-M83 HydrophobicContact CG-CE 4.12Å; Q80-M83 WeakPolarHBondContact O-CB 3.42Å; Q80-M83 PolarHBondContact O-N 2.79Å; M83-T372 CarbonylContact O-C 3.51Å; M83-T372 WeakPolarHBondContact O-CA 3.33Å; M83-Y373 PolarHBondContact O-N 3.47Å
84Q96.3Very high96.5Very high23 Ų2326 Ų2611%0.10713%0.126CC..SBendtrans-76.8-44.2-171.9-61.3-177.914.500113.1E62 F67 T81 E88 T372 Y373E62-Q84 PolarHBondContact O-NE2 2.79Å; F67-Q84 VanDerWaalsContact CE2-NE2 3.28Å; T81-Q84 WeakPolarHBondContact O-CG 3.46Å; T81-Q84 PolarHBondContact O-NE2 2.77Å; Q84-E88 WeakPolarHBondContact CB-OE2 3.41Å; Q84-T372 VanDerWaalsContact O-CG2 3.27Å; Q84-T372 WeakPolarHBondContact O-CG2 3.46Å; Q84-Y373 HydrophobicContact CG-CD1 4.23Å
85S94.6Very high96.6Very high27 Ų2717.1 Ų17.119%0.1899%0.093CC..  trans-162.8165.9-178.266.60000110.9D87 E88S85-D87 VanDerWaalsContact C-N 3.27Å; S85-D87 PolarHBondContact O-N 3.29Å; S85-E88 PolarHBondContact O-N 3Å; S85-E88 VanDerWaalsContact OG-CB 3.32Å; S85-E88 WeakPolarHBondContact OG-CB 3.35Å; S85-E88 WeakPolarHBondContact OG-CG 3.37Å; S85-E88 PolarHBondContact OG-OE2 2.84Å
86N93.4Very high96.7Very high14 Ų1415.3 Ų15.38%0.0758%0.08CC..THydrogen-bonded Turntrans-68.1-24.4-178.7-64.2-35.4000113.7E27 H28 H29 F89 D432E27-N86 WeakPolarHBondContact CB-OD1 3.34Å; H28-N86 HydrophobicContact CB-CB 4.19Å; H28-N86 PolarHBondContact N-OD1 2.92Å; H28-N86 VanDerWaalsContact N-OD1 3.08Å; H29-N86 PolarHBondContact N-OD1 2.61Å; H29-N86 PolarHBondContact ND1-OD1 2.93Å; N86-F89 WeakPolarHBondContact O-CD1 3.42Å; N86-F89 WeakPolarHBondContact O-CE1 3.3Å; N86-D432 PolarHBondContact ND2-OD1 2.81Å; N86-D432 VanDerWaalsContact ND2-OD1 3.16Å; N86-D432 PolarHBondContact ND2-OD2 3.2Å
87D93.9Very high96.9Very high48 Ų4815.6 Ų15.626%0.2578%0.082SC..THydrogen-bonded Turntrans-92.8-8.8-179.1-62.4-56.8000113.4D57 M58 D59 S85D57-D87 CarbonylContact C-O 3.59Å; M58-D87 PolarHBondContact N-O 3.15Å; D59-D87 WeakPolarHBondContact CA-O 3.29Å; D59-D87 HydrophobicContact CB-CB 3.94Å; D59-D87 WeakPolarHBondContact CB-O 3.44Å; D59-D87 PolarHBondContact N-O 2.83Å; S85-D87 VanDerWaalsContact C-N 3.27Å; S85-D87 PolarHBondContact O-N 3.29Å
88E95.8Very high96.9Very high19 Ų1912.3 Ų12.39%0.0896%0.064CC..THydrogen-bonded Turntrans-112.9-10.4-168.7-65.6170.9159.300114.4D59 P61 Q84 S85 I90 Q91 S92 R151D59-E88 HydrophobicContact CB-CG 4.18Å; P61-E88 HydrophobicContact CB-CB 4.18Å; Q84-E88 WeakPolarHBondContact CB-OE2 3.41Å; S85-E88 PolarHBondContact O-N 3Å; S85-E88 VanDerWaalsContact OG-CB 3.32Å; S85-E88 WeakPolarHBondContact OG-CB 3.35Å; S85-E88 WeakPolarHBondContact OG-CG 3.37Å; S85-E88 PolarHBondContact OG-OE2 2.84Å; E88-I90 PolarHBondContact O-N 3.39Å; E88-Q91 PolarHBondContact O-N 2.87Å; E88-S92 WeakPolarHBondContact O-CB 3.35Å; E88-S92 PolarHBondContact O-N 2.77Å; E88-S92 PolarHBondContact O-OG 3.16Å; E88-R151 IonicContact OE1-CZ 3.4Å; E88-R151 IonicContact OE1-NH1 3.24Å; E88-R151 PolarHBondContact OE1-NH1 3.46Å; E88-R151 IonicContact OE1-NH2 2.88Å; E88-R151 PolarHBondContact OE1-NH2 3.08Å
89F97.8Very high97Very high0 Ų010.8 Ų10.80%06%0.057CC..Hα-helixtrans-67.5-33.3-169.474.8-73.7000113.5H28 H29 V31 I32 W35 D57 N86 S92 A93H28-F89 HydrophobicContact CB-CD1 3.86Å; H28-F89 HydrophobicContact CB-CE1 3.33Å; H28-F89 HydrophobicContact CB-CE2 4.25Å; H28-F89 HydrophobicContact CB-CZ 3.6Å; H28-F89 AromaticContact CG-CE1 3.99Å; H28-F89 AromaticContact ND1-CE1 3.92Å; H28-F89 AromaticContact ND1-CZ 3.9Å; H29-F89 HydrophobicContact CB-CB 3.86Å; H29-F89 HydrophobicContact CB-CG 4.43Å; V31-F89 HydrophobicContact CG2-CD2 3.79Å; V31-F89 HydrophobicContact CG2-CE2 3.7Å; I32-F89 HydrophobicContact CD1-CB 4.14Å; I32-F89 HydrophobicContact CD1-CD2 4.15Å; I32-F89 HydrophobicContact CG1-CB 4.13Å; I32-F89 HydrophobicContact CG1-CD2 4.43Å; W35-F89 AromaticContact CH2-CD2 3.64Å; W35-F89 HydrophobicContact CH2-CD2 3.64Å; W35-F89 AromaticContact CH2-CE2 3.19Å; W35-F89 HydrophobicContact CH2-CE2 3.19Å; W35-F89 HydrophobicContact CH2-CZ 4.24Å; W35-F89 HydrophobicContact CZ2-CD2 4.32Å; W35-F89 AromaticContact CZ2-CE2 3.68Å; W35-F89 HydrophobicContact CZ2-CE2 3.68Å; W35-F89 AromaticContact CZ3-CD2 3.84Å; W35-F89 HydrophobicContact CZ3-CD2 3.84Å; W35-F89 AromaticContact CZ3-CE2 3.9Å; W35-F89 HydrophobicContact CZ3-CE2 3.9Å; D57-F89 HydrophobicContact CB-CD1 4.19Å; D57-F89 HydrophobicContact CB-CE1 3.39Å; D57-F89 HydrophobicContact CB-CZ 4.12Å; D57-F89 WeakPolarHBondContact OD2-CE1 3.14Å; N86-F89 WeakPolarHBondContact O-CD1 3.42Å; N86-F89 WeakPolarHBondContact O-CE1 3.3Å; F89-S92 WeakPolarHBondContact O-CB 3.43Å; F89-S92 PolarHBondContact O-N 3.49Å; F89-A93 WeakPolarHBondContact O-CB 3.39Å; F89-A93 PolarHBondContact O-N 3.41Å
90I98.5Very high96.9Very high0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-68.6-48.4179.3-54.4-175.8000110.4W35 L49 H51 D57 M58 E88 S92 A93 I94 V102W35-I90 HydrophobicContact CH2-CG1 4.24Å; L49-I90 HydrophobicContact CD2-CD1 4.11Å; L49-I90 HydrophobicContact CD2-CG1 4.29Å; L49-I90 HydrophobicContact CD2-CG2 3.81Å; H51-I90 HydrophobicContact CB-CD1 4.41Å; D57-I90 HydrophobicContact CB-CD1 3.87Å; D57-I90 HydrophobicContact CB-CG1 4.24Å; D57-I90 WeakPolarHBondContact O-CB 3.5Å; D57-I90 WeakPolarHBondContact O-CG1 3.37Å; M58-I90 HydrophobicContact SD-CB 3.65Å; M58-I90 HydrophobicContact SD-CG2 3.31Å; M58-I90 WeakPolarHBondContact SD-CG2 3.38Å; E88-I90 PolarHBondContact O-N 3.39Å; I90-S92 VanDerWaalsContact C-N 3.28Å; I90-S92 PolarHBondContact O-N 3.13Å; I90-A93 WeakPolarHBondContact O-CB 3.48Å; I90-A93 PolarHBondContact O-N 3.3Å; I90-A93 VanDerWaalsContact O-N 3.15Å; I90-I94 HydrophobicContact CG2-CD1 4.4Å; I90-I94 WeakPolarHBondContact O-CG1 3.32Å; I90-I94 PolarHBondContact O-N 2.81Å; I90-V102 HydrophobicContact CG2-CG1 4.38Å; I90-V102 HydrophobicContact CG2-CG2 4.12Å
91Q97.8Very high97Very high0 Ų010.1 Ų10.10%05%0.054CC..Hα-helixtrans-60.8-40.5175.1-77.3-150.744.100111.5M58 D59 P61 E88 A93 I94 I95 L121M58-Q91 HydrophobicContact CE-CG 4.13Å; M58-Q91 PolarHBondContact O-NE2 3.47Å; M58-Q91 HydrophobicContact SD-CG 4.2Å; D59-Q91 WeakPolarHBondContact O-CB 3.48Å; D59-Q91 VanDerWaalsContact O-CD 3.25Å; D59-Q91 VanDerWaalsContact O-CG 3.31Å; D59-Q91 WeakPolarHBondContact O-CG 3.48Å; D59-Q91 PolarHBondContact O-NE2 2.86Å; P61-Q91 HydrophobicContact CG-CB 4.44Å; E88-Q91 PolarHBondContact O-N 2.87Å; Q91-A93 VanDerWaalsContact C-N 3.3Å; Q91-A93 PolarHBondContact O-N 2.86Å; Q91-I94 PolarHBondContact O-N 2.93Å; Q91-I94 VanDerWaalsContact O-N 3.16Å; Q91-I95 WeakPolarHBondContact O-CG1 3.39Å; Q91-I95 PolarHBondContact O-N 2.85Å; Q91-L121 HydrophobicContact CB-CD1 4.36Å; Q91-L121 HydrophobicContact CG-CD1 4.44Å
92S98.2Very high97Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-54.9-47.2173.5-61.90000111.6P61 E88 F89 I90 I94 I95 A96P61-S92 WeakPolarHBondContact CB-OG 3.29Å; P61-S92 WeakPolarHBondContact CG-OG 3.29Å; E88-S92 WeakPolarHBondContact O-CB 3.35Å; E88-S92 PolarHBondContact O-N 2.77Å; E88-S92 PolarHBondContact O-OG 3.16Å; F89-S92 WeakPolarHBondContact O-CB 3.43Å; F89-S92 PolarHBondContact O-N 3.49Å; I90-S92 VanDerWaalsContact C-N 3.28Å; I90-S92 PolarHBondContact O-N 3.13Å; S92-I94 PolarHBondContact O-N 2.93Å; S92-I95 PolarHBondContact O-N 3.2Å; S92-A96 WeakPolarHBondContact O-CB 3.46Å; S92-A96 PolarHBondContact O-N 3.44Å
93A98.5Very high97Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-64.9-35.2178.400000113.1I32 W35 F89 I90 Q91 N97 L98 I99I32-A93 HydrophobicContact CD1-CB 3.96Å; W35-A93 HydrophobicContact CE3-CB 4.18Å; W35-A93 HydrophobicContact CZ3-CB 4.13Å; F89-A93 WeakPolarHBondContact O-CB 3.39Å; F89-A93 PolarHBondContact O-N 3.41Å; I90-A93 WeakPolarHBondContact O-CB 3.48Å; I90-A93 PolarHBondContact O-N 3.3Å; I90-A93 VanDerWaalsContact O-N 3.15Å; Q91-A93 VanDerWaalsContact C-N 3.3Å; Q91-A93 PolarHBondContact O-N 2.86Å; A93-N97 PolarHBondContact O-N 3.15Å; A93-L98 HydrophobicContact CB-CB 4.16Å; A93-L98 HydrophobicContact CB-CD1 4.12Å; A93-L98 WeakPolarHBondContact O-CA 3.2Å; A93-L98 VanDerWaalsContact O-CB 3.25Å; A93-L98 WeakPolarHBondContact O-CB 3.19Å; A93-L98 PolarHBondContact O-N 3.06Å; A93-I99 HydrophobicContact CB-CD1 3.53Å; A93-I99 HydrophobicContact CB-CG1 3.96Å; A93-I99 PolarHBondContact O-N 2.99Å
94I98.3Very high97.1Very high1 Ų110 Ų101%0.0055%0.053CC..Hα-helixtrans-64.1-48.1174.2-64.2164.3000110.6M58 I90 Q91 S92 A96 N97 I99 V102 L121 W171 Y173M58-I94 HydrophobicContact CE-CD1 4Å; M58-I94 HydrophobicContact SD-CD1 4.4Å; I90-I94 HydrophobicContact CG2-CD1 4.4Å; I90-I94 WeakPolarHBondContact O-CG1 3.32Å; I90-I94 PolarHBondContact O-N 2.81Å; Q91-I94 PolarHBondContact O-N 2.93Å; Q91-I94 VanDerWaalsContact O-N 3.16Å; S92-I94 PolarHBondContact O-N 2.93Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 3.1Å; I94-N97 WeakPolarHBondContact O-CA 3.42Å; I94-N97 PolarHBondContact O-N 2.8Å; I94-I99 HydrophobicContact CG1-CB 4.06Å; I94-I99 HydrophobicContact CG1-CG2 4.31Å; I94-V102 HydrophobicContact CD1-CG2 4.09Å; I94-V102 HydrophobicContact CG1-CG2 4.47Å; I94-L121 HydrophobicContact CB-CD1 3.95Å; I94-L121 HydrophobicContact CD1-CD1 4.47Å; I94-L121 HydrophobicContact CG2-CD1 3.75Å; I94-L121 HydrophobicContact CG2-CG 4.43Å; I94-W171 HydrophobicContact CG2-CB 4.46Å; I94-Y173 HydrophobicContact CD1-CD1 4.31Å; I94-Y173 HydrophobicContact CD1-CD2 3.8Å; I94-Y173 HydrophobicContact CD1-CE1 4.22Å; I94-Y173 HydrophobicContact CD1-CE2 3.69Å; I94-Y173 HydrophobicContact CD1-CG 4.11Å; I94-Y173 HydrophobicContact CG2-CD1 3.86Å; I94-Y173 HydrophobicContact CG2-CE1 4.42Å; I94-Y173 HydrophobicContact CG2-CG 4.09Å
95I98.1Very high97.2Very high0 Ų09 Ų90%05%0.048CC..Hα-helixtrans-63.6-39-179.5-63.8159.4000110.9P61 F67 G70 Q91 S92 N97 L121 I132 W171P61-I95 HydrophobicContact CG-CD1 3.83Å; F67-I95 HydrophobicContact CD1-CG2 4.36Å; F67-I95 HydrophobicContact CE1-CB 4.1Å; F67-I95 HydrophobicContact CE1-CD1 4.28Å; F67-I95 HydrophobicContact CE1-CG2 3.75Å; G70-I95 VanDerWaalsContact CA-O 3.29Å; G70-I95 WeakPolarHBondContact CA-O 3.5Å; G70-I95 PolarHBondContact N-O 3.21Å; Q91-I95 WeakPolarHBondContact O-CG1 3.39Å; Q91-I95 PolarHBondContact O-N 2.85Å; S92-I95 PolarHBondContact O-N 3.2Å; I95-N97 PolarHBondContact O-N 3.39Å; I95-L121 HydrophobicContact CD1-CD1 4.15Å; I95-L121 HydrophobicContact CG1-CB 4.44Å; I95-L121 HydrophobicContact CG1-CD1 3.69Å; I95-I132 HydrophobicContact CD1-CD1 3.54Å; I95-I132 HydrophobicContact CD1-CG1 3.77Å; I95-I132 HydrophobicContact CD1-CG2 4.09Å; I95-I132 HydrophobicContact CG1-CD1 4.49Å; I95-W171 HydrophobicContact CG1-CE3 4.24Å; I95-W171 HydrophobicContact CG2-CD2 4.44Å; I95-W171 HydrophobicContact CG2-CE3 4.46Å; I95-W171 HydrophobicContact CG2-CH2 4.27Å; I95-W171 HydrophobicContact CG2-CZ2 4.25Å; I95-W171 HydrophobicContact CG2-CZ3 4.37Å
96A97.8Very high97.4Very high0 Ų08.4 Ų8.40%04%0.042CC..THydrogen-bonded Turntrans-70.29.217400000114P68 H71 F72 L82 S92 I94 L98P68-A96 HydrophobicContact CG-CB 3.96Å; P68-A96 WeakPolarHBondContact O-CA 3.46Å; H71-A96 CarbonylContact C-O 3.55Å; H71-A96 VanDerWaalsContact C-O 3.22Å; H71-A96 CarbonylContact O-C 3.58Å; F72-A96 WeakPolarHBondContact CA-O 3.23Å; F72-A96 PolarHBondContact N-O 3.03Å; L82-A96 HydrophobicContact CD1-CB 3.78Å; L82-A96 HydrophobicContact CD2-CB 3.86Å; L82-A96 HydrophobicContact CG-CB 4.49Å; S92-A96 WeakPolarHBondContact O-CB 3.46Å; S92-A96 PolarHBondContact O-N 3.44Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 3.1Å; A96-L98 HydrophobicContact CB-CD1 3.94Å; A96-L98 HydrophobicContact CB-CG 4.14Å; A96-L98 PolarHBondContact O-N 3.11Å; A96-L98 VanDerWaalsContact O-N 3.16Å
97N96.5Very high97.6Very high36 Ų367.8 Ų7.819%0.1934%0.038CC..THydrogen-bonded Turntrans57.524.5-177.6-84.5-20.6000113.6K46 G70 F72 A93 I94 I95K46-N97 WeakPolarHBondContact CE-OD1 3.35Å; K46-N97 WeakPolarHBondContact CG-O 3.38Å; K46-N97 PolarHBondContact NZ-OD1 3.38Å; G70-N97 PolarHBondContact O-ND2 3.13Å; F72-N97 HydrophobicContact CD2-CB 4.34Å; F72-N97 HydrophobicContact CE2-CB 4.47Å; F72-N97 WeakPolarHBondContact CE2-O 3.24Å; A93-N97 PolarHBondContact O-N 3.15Å; I94-N97 WeakPolarHBondContact O-CA 3.42Å; I94-N97 PolarHBondContact O-N 2.8Å; I95-N97 PolarHBondContact O-N 3.39Å
98L97.4Very high97.7Very high1 Ų17.6 Ų7.61%0.0054%0.035CC..  trans-81.4-34.8177.4-66162.5000111.8F36 A39 K46 A47 F72 L82 A93 A96F36-L98 HydrophobicContact CB-CD2 4.31Å; F36-L98 HydrophobicContact CD2-CD2 3.79Å; A39-L98 HydrophobicContact CB-CD2 4.36Å; K46-L98 CarbonylContact C-O 3.44Å; K46-L98 WeakPolarHBondContact CA-O 3.03Å; A47-L98 PolarHBondContact N-O 3.33Å; F72-L98 HydrophobicContact CD1-CD2 3.58Å; F72-L98 HydrophobicContact CE1-CD2 3.3Å; F72-L98 HydrophobicContact CE1-CG 4.45Å; F72-L98 HydrophobicContact CG-CD2 4.42Å; F72-L98 HydrophobicContact CZ-CD2 3.93Å; L82-L98 HydrophobicContact CD1-CD1 3.98Å; A93-L98 HydrophobicContact CB-CB 4.16Å; A93-L98 HydrophobicContact CB-CD1 4.12Å; A93-L98 WeakPolarHBondContact O-CA 3.2Å; A93-L98 VanDerWaalsContact O-CB 3.25Å; A93-L98 WeakPolarHBondContact O-CB 3.19Å; A93-L98 PolarHBondContact O-N 3.06Å; A96-L98 HydrophobicContact CB-CD1 3.94Å; A96-L98 HydrophobicContact CB-CG 4.14Å; A96-L98 PolarHBondContact O-N 3.11Å; A96-L98 VanDerWaalsContact O-N 3.16Å
99I98Very high97.7Very high0 Ų09 Ų90%04%0.039CC..EExtended strand (participates in β ladder)trans-121.6141.6-171.5-57.3177.7000110.4W35 L49 A93 I94 T101 V102W35-I99 HydrophobicContact CE3-CD1 3.93Å; W35-I99 HydrophobicContact CH2-CD1 4.47Å; W35-I99 HydrophobicContact CZ3-CD1 3.63Å; L49-I99 HydrophobicContact CB-CD1 4.13Å; L49-I99 HydrophobicContact CB-CG2 4.09Å; L49-I99 HydrophobicContact CD2-CD1 3.92Å; A93-I99 HydrophobicContact CB-CD1 3.53Å; A93-I99 HydrophobicContact CB-CG1 3.96Å; A93-I99 PolarHBondContact O-N 2.99Å; I94-I99 HydrophobicContact CG1-CB 4.06Å; I94-I99 HydrophobicContact CG1-CG2 4.31Å; I99-T101 WeakPolarHBondContact CG2-O 3.48Å; I99-V102 HydrophobicContact CG2-CG2 3.6Å
100Q96.1Very high97.6Very high40 Ų4011.5 Ų11.519%0.1875%0.054CC..EExtended strand (participates in β ladder)trans-122-16.3174.557.3160.567.400114.1K46 A47 Y173 H174 L230K46-Q100 HydrophobicContact CB-CB 3.58Å; K46-Q100 HydrophobicContact CB-CG 3.6Å; K46-Q100 HydrophobicContact CD-CB 3.78Å; K46-Q100 HydrophobicContact CG-CB 4.31Å; A47-Q100 VanDerWaalsContact O-CG 3.29Å; A47-Q100 WeakPolarHBondContact O-CG 3.37Å; A47-Q100 PolarHBondContact O-N 3.32Å; Q100-Y173 WeakPolarHBondContact O-CA 3.35Å; Q100-Y173 WeakPolarHBondContact O-CB 3.31Å; Q100-H174 PolarHBondContact O-N 2.87Å; Q100-L230 VanDerWaalsContact CD-CD1 3.43Å; Q100-L230 HydrophobicContact CG-CD1 4.41Å
101T97.2Very high97.3Very high1 Ų113.4 Ų13.41%0.0066%0.063CC..EExtended strand (participates in β ladder)trans-147129.5-178.7-59.40000107.5V48 L49 I99 Y103 H174 I176 T198V48-T101 WeakPolarHBondContact CA-O 3.43Å; V48-T101 HydrophobicContact CG1-CG2 4.23Å; L49-T101 PolarHBondContact N-O 3.38Å; I99-T101 WeakPolarHBondContact CG2-O 3.48Å; T101-Y103 HydrophobicContact CG2-CD2 4.02Å; T101-Y103 HydrophobicContact CG2-CE2 3.47Å; T101-Y103 VanDerWaalsContact CG2-CE2 3.47Å; T101-H174 CarbonylContact C-O 3.41Å; T101-H174 WeakPolarHBondContact CA-O 3.21Å; T101-H174 HydrophobicContact CG2-CB 3.92Å; T101-I176 HydrophobicContact CG2-CD1 3.81Å; T101-T198 HydrophobicContact CG2-CG2 4.34Å
102V98.1Very high97Very high0 Ų020.7 Ų20.70%010%0.102CC..EExtended strand (participates in β ladder)trans-122.1121.8179.7178.80000107.7L49 I90 I94 I99 I104 Y173 H174 Y175 I176L49-V102 HydrophobicContact CB-CG2 4.47Å; L49-V102 HydrophobicContact CD2-CG1 4.24Å; L49-V102 HydrophobicContact CD2-CG2 4.46Å; I90-V102 HydrophobicContact CG2-CG1 4.38Å; I90-V102 HydrophobicContact CG2-CG2 4.12Å; I94-V102 HydrophobicContact CD1-CG2 4.09Å; I94-V102 HydrophobicContact CG1-CG2 4.47Å; I99-V102 HydrophobicContact CG2-CG2 3.6Å; V102-I104 HydrophobicContact CG1-CD1 4.28Å; V102-I104 HydrophobicContact CG1-CG1 3.68Å; V102-Y173 HydrophobicContact CG2-CD2 4.38Å; V102-H174 PolarHBondContact N-O 2.98Å; V102-Y175 HydrophobicContact CB-CD2 4.35Å; V102-Y175 HydrophobicContact CG1-CD2 4.42Å; V102-I176 WeakPolarHBondContact O-CD1 3.15Å; V102-I176 PolarHBondContact O-N 3.45Å
103Y98.4Very high96.7Very high1 Ų121.4 Ų21.40%0.00411%0.109CC..EExtended strand (participates in β ladder)trans-103.2117.1163.4-64.5-91.6000107.3V48 L49 I50 H51 T101 I176 L178 L187 W193 L195V48-Y103 HydrophobicContact CG1-CD2 3.91Å; V48-Y103 HydrophobicContact CG1-CE2 3.71Å; L49-Y103 PolarHBondContact O-N 3.19Å; I50-Y103 CarbonylContact C-O 3.47Å; I50-Y103 WeakPolarHBondContact CA-O 3.41Å; I50-Y103 HydrophobicContact CG1-CD2 4.25Å; H51-Y103 PolarHBondContact N-O 3.26Å; T101-Y103 HydrophobicContact CG2-CD2 4.02Å; T101-Y103 HydrophobicContact CG2-CE2 3.47Å; T101-Y103 VanDerWaalsContact CG2-CE2 3.47Å; Y103-I176 CarbonylContact C-O 3.59Å; Y103-I176 VanDerWaalsContact CA-O 3.3Å; Y103-I176 WeakPolarHBondContact CA-O 3.26Å; Y103-I176 HydrophobicContact CD1-CB 3.65Å; Y103-I176 HydrophobicContact CD1-CD1 4.14Å; Y103-I176 HydrophobicContact CD1-CG1 4.12Å; Y103-I176 HydrophobicContact CD1-CG2 3.76Å; Y103-I176 HydrophobicContact CE1-CB 3.97Å; Y103-I176 HydrophobicContact CE1-CD1 3.87Å; Y103-I176 HydrophobicContact CE1-CG1 3.92Å; Y103-I176 HydrophobicContact CE1-CG2 4.01Å; Y103-I176 HydrophobicContact CE2-CD1 4.44Å; Y103-I176 HydrophobicContact CG-CB 4.38Å; Y103-L178 HydrophobicContact CD1-CD1 3.92Å; Y103-L187 HydrophobicContact CD1-CD2 3.58Å; Y103-L187 HydrophobicContact CD2-CD2 4.44Å; Y103-L187 HydrophobicContact CE1-CD2 3.77Å; Y103-L187 HydrophobicContact CG-CD2 3.95Å; Y103-W193 WeakPolarHBondContact CE1-O 3.48Å; Y103-W193 PolarHBondContact OH-O 3.02Å; Y103-L195 HydrophobicContact CD2-CD2 4.12Å; Y103-L195 HydrophobicContact CE2-CD2 3.54Å
104I98.3Very high96.5Very high0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-100.3124.2168.6-50.9-168.7000107.5H51 S56 M58 V102 Y106 Y175 I176 E177 L178H51-I104 CarbonylContact O-C 3.44Å; H51-I104 WeakPolarHBondContact O-CA 3.2Å; S56-I104 VanDerWaalsContact O-CD1 3.29Å; S56-I104 WeakPolarHBondContact O-CD1 3.35Å; M58-I104 HydrophobicContact CG-CD1 3.71Å; V102-I104 HydrophobicContact CG1-CD1 4.28Å; V102-I104 HydrophobicContact CG1-CG1 3.68Å; I104-Y106 HydrophobicContact CB-CE2 4.17Å; I104-Y106 HydrophobicContact CG2-CD1 4.24Å; I104-Y106 HydrophobicContact CG2-CD2 4.36Å; I104-Y106 HydrophobicContact CG2-CE1 3.65Å; I104-Y106 HydrophobicContact CG2-CE2 3.79Å; I104-Y175 HydrophobicContact CD1-CE2 3.58Å; I104-Y175 HydrophobicContact CG1-CE2 4.02Å; I104-I176 PolarHBondContact N-O 3.04Å; I104-E177 CarbonylContact O-C 3.55Å; I104-E177 WeakPolarHBondContact O-CA 3.43Å; I104-L178 PolarHBondContact O-N 3.15Å
105I98.6Very high96.3Very high0 Ų028.7 Ų28.70%014%0.144CC..EExtended strand (participates in β ladder)trans-115.9104.1-177.4-52.6177.6000108.8I50 H51 I52 D53 L178 A183 L187 I413I50-I105 HydrophobicContact CG2-CD1 3.6Å; I50-I105 HydrophobicContact CG2-CG1 4.36Å; H51-I105 PolarHBondContact O-N 2.89Å; I52-I105 HydrophobicContact CG1-CB 4.25Å; I52-I105 HydrophobicContact CG1-CD1 4.27Å; D53-I105 PolarHBondContact N-O 3.16Å; I105-L178 WeakPolarHBondContact CA-O 3.47Å; I105-L178 HydrophobicContact CG1-CB 4.27Å; I105-L178 HydrophobicContact CG1-CD1 4.26Å; I105-A183 HydrophobicContact CD1-CB 4.18Å; I105-A183 HydrophobicContact CG1-CB 4.36Å; I105-A183 HydrophobicContact CG2-CB 3.68Å; I105-L187 HydrophobicContact CD1-CD1 3.95Å; I105-I413 HydrophobicContact CD1-CG2 3.57Å; I105-I413 HydrophobicContact CG2-CD1 3.66Å; I105-I413 HydrophobicContact CG2-CG1 4.44Å
106Y98.3Very high96Very high16 Ų1630.2 Ų30.26%0.06316%0.157CC..EExtended strand (participates in β ladder)trans-83.1147.6178.3-59.3-73.3000111.8D53 H55 S56 I104 F111 E177 L178 N179 S180D53-Y106 WeakPolarHBondContact O-CA 3.35Å; H55-Y106 VanDerWaalsContact C-CE1 3.5Å; H55-Y106 WeakPolarHBondContact O-CE1 3.47Å; S56-Y106 VanDerWaalsContact CB-OH 3.31Å; S56-Y106 WeakPolarHBondContact CB-OH 3.32Å; I104-Y106 HydrophobicContact CB-CE2 4.17Å; I104-Y106 HydrophobicContact CG2-CD1 4.24Å; I104-Y106 HydrophobicContact CG2-CD2 4.36Å; I104-Y106 HydrophobicContact CG2-CE1 3.65Å; I104-Y106 HydrophobicContact CG2-CE2 3.79Å; Y106-F111 HydrophobicContact CD2-CB 3.93Å; Y106-F111 AromaticContact CD2-CD1 3.42Å; Y106-F111 HydrophobicContact CD2-CD1 3.42Å; Y106-F111 VanDerWaalsContact CD2-CD1 3.42Å; Y106-F111 HydrophobicContact CD2-CD2 4.35Å; Y106-F111 AromaticContact CD2-CE1 3.84Å; Y106-F111 HydrophobicContact CD2-CE1 3.84Å; Y106-F111 AromaticContact CD2-CG 3.68Å; Y106-F111 HydrophobicContact CD2-CG 3.68Å; Y106-F111 HydrophobicContact CD2-CZ 4.45Å; Y106-F111 HydrophobicContact CE2-CD1 4.22Å; Y106-F111 HydrophobicContact CE2-CE1 4.28Å; Y106-F111 HydrophobicContact CE2-CG 4.34Å; Y106-F111 HydrophobicContact CG-CB 3.74Å; Y106-F111 HydrophobicContact CG-CD1 4.06Å; Y106-F111 HydrophobicContact CG-CG 4.03Å; Y106-E177 HydrophobicContact CE2-CB 3.86Å; Y106-E177 HydrophobicContact CE2-CG 3.84Å; Y106-L178 PolarHBondContact N-O 2.71Å; Y106-N179 CarbonylContact O-C 3.01Å; Y106-S180 WeakPolarHBondContact O-CB 2.97Å; Y106-S180 PolarHBondContact O-N 3.18Å
107P97.9Very high95.7Very high0 Ų032.5 Ų32.50%017%0.165CC..  trans-69.9156.1169.733.5-36.6000110.5D53 A54 W109 T110 F240 L406D53-P107 WeakPolarHBondContact O-CD 3.17Å; A54-P107 HydrophobicContact CB-CG 4.38Å; P107-W109 HydrophobicContact CB-CD2 4.42Å; P107-W109 HydrophobicContact CB-CG 4.29Å; P107-W109 HydrophobicContact CB-CZ2 4.32Å; P107-W109 HydrophobicContact CG-CD2 3.98Å; P107-W109 HydrophobicContact CG-CG 4.31Å; P107-W109 HydrophobicContact CG-CH2 4.34Å; P107-W109 HydrophobicContact CG-CZ2 3.52Å; P107-W109 PolarHBondContact O-N 3.13Å; P107-T110 WeakPolarHBondContact CD-OG1 3.41Å; P107-T110 HydrophobicContact CG-CG2 3.97Å; P107-T110 PolarHBondContact O-N 3.31Å; P107-T110 PolarHBondContact O-OG1 3.45Å; P107-F240 VanDerWaalsContact CA-CE2 3.5Å; P107-F240 HydrophobicContact CB-CD2 3.79Å; P107-F240 HydrophobicContact CB-CE1 4.43Å; P107-F240 HydrophobicContact CB-CE2 3.67Å; P107-F240 HydrophobicContact CB-CG 4.23Å; P107-F240 HydrophobicContact CB-CZ 4.01Å; P107-F240 WeakPolarHBondContact CB-O 3.47Å; P107-F240 HydrophobicContact CG-CD2 4.06Å; P107-F240 HydrophobicContact CG-CE2 4.36Å; P107-F240 VanDerWaalsContact N-CE2 3.34Å; P107-L406 HydrophobicContact CB-CD2 3.81Å
108Y96.6Very high95.5Very high45 Ų4532.7 Ų32.718%0.17617%0.168CC..THydrogen-bonded Turntrans-60.9-14.5-176.470.5-91.7000115S180 Y396 K405 L406 Q409Y108-S180 PolarHBondContact N-OG 2.7Å; Y108-Y396 PolarHBondContact OH-OH 2.99Å; Y108-K405 HydrophobicContact CE1-CD 3.9Å; Y108-K405 HydrophobicContact CE1-CG 4.2Å; Y108-K405 VanDerWaalsContact CE2-NZ 3.33Å; Y108-L406 HydrophobicContact CD1-CD2 3.73Å; Y108-L406 HydrophobicContact CE1-CD2 3.49Å; Y108-L406 VanDerWaalsContact CE1-CD2 3.49Å; Y108-L406 HydrophobicContact CE1-CG 3.82Å; Y108-Q409 VanDerWaalsContact CD1-OE1 3.22Å
109W96Very high95.3Very high48 Ų4832.7 Ų32.718%0.18217%0.168CC..THydrogen-bonded Turntrans-91.1-14.8-176.255.7-98.2000113.6A54 P107 D239 F240 V243 I393 Y396A54-W109 HydrophobicContact CB-CH2 3.57Å; A54-W109 HydrophobicContact CB-CZ2 3.89Å; P107-W109 HydrophobicContact CB-CD2 4.42Å; P107-W109 HydrophobicContact CB-CG 4.29Å; P107-W109 HydrophobicContact CB-CZ2 4.32Å; P107-W109 HydrophobicContact CG-CD2 3.98Å; P107-W109 HydrophobicContact CG-CG 4.31Å; P107-W109 HydrophobicContact CG-CH2 4.34Å; P107-W109 HydrophobicContact CG-CZ2 3.52Å; P107-W109 PolarHBondContact O-N 3.13Å; W109-D239 WeakPolarHBondContact CZ2-O 3.29Å; W109-F240 PolarHBondContact NE1-O 3.41Å; W109-V243 HydrophobicContact CH2-CB 4.28Å; W109-V243 HydrophobicContact CH2-CG2 3.76Å; W109-I393 HydrophobicContact CH2-CD1 3.74Å; W109-I393 HydrophobicContact CH2-CG1 4.46Å; W109-I393 HydrophobicContact CZ3-CD1 3.73Å; W109-I393 HydrophobicContact CZ3-CG1 4.06Å; W109-Y396 HydrophobicContact CB-CD2 4.13Å; W109-Y396 HydrophobicContact CB-CE2 3.94Å; W109-Y396 HydrophobicContact CB-CG 4.49Å; W109-Y396 AromaticContact CD1-CD1 3.85Å; W109-Y396 AromaticContact CD1-CE1 3.49Å; W109-Y396 VanDerWaalsContact CD1-CE1 3.49Å; W109-Y396 AromaticContact CD1-CZ 3.8Å; W109-Y396 AromaticContact CD2-CD1 3.51Å; W109-Y396 HydrophobicContact CD2-CD1 3.51Å; W109-Y396 HydrophobicContact CD2-CD2 4.09Å; W109-Y396 AromaticContact CD2-CE1 3.97Å; W109-Y396 HydrophobicContact CD2-CE1 3.97Å; W109-Y396 HydrophobicContact CD2-CE2 4.5Å; W109-Y396 AromaticContact CD2-CG 3.56Å; W109-Y396 HydrophobicContact CD2-CG 3.56Å; W109-Y396 AromaticContact CE2-CD1 3.49Å; W109-Y396 VanDerWaalsContact CE2-CD1 3.49Å; W109-Y396 AromaticContact CE2-CE1 3.93Å; W109-Y396 VanDerWaalsContact CE3-CB 3.43Å; W109-Y396 AromaticContact CE3-CD1 3.96Å; W109-Y396 HydrophobicContact CE3-CD1 3.96Å; W109-Y396 HydrophobicContact CE3-CD2 4.14Å; W109-Y396 AromaticContact CE3-CG 3.58Å; W109-Y396 HydrophobicContact CE3-CG 3.58Å; W109-Y396 AromaticContact CG-CD1 3.82Å; W109-Y396 HydrophobicContact CG-CD1 3.82Å; W109-Y396 HydrophobicContact CG-CD2 4.07Å; W109-Y396 AromaticContact CG-CE1 3.78Å; W109-Y396 HydrophobicContact CG-CE1 3.78Å; W109-Y396 HydrophobicContact CG-CE2 4.03Å; W109-Y396 AromaticContact CG-CG 3.96Å; W109-Y396 HydrophobicContact CG-CG 3.96Å; W109-Y396 AromaticContact CG-CZ 3.87Å; W109-Y396 HydrophobicContact CH2-CD1 4.42Å; W109-Y396 HydrophobicContact CZ2-CD1 4.01Å; W109-Y396 VanDerWaalsContact CZ3-CB 3.46Å; W109-Y396 HydrophobicContact CZ3-CD1 4.37Å; W109-Y396 HydrophobicContact CZ3-CG 4.06Å; W109-Y396 AromaticContact NE1-CD1 3.65Å; W109-Y396 AromaticContact NE1-CE1 3.58Å
110T94.9Very high95.2Very high52 Ų5232.8 Ų32.832%0.31917%0.169SC..THydrogen-bonded Turntrans-100.7-37.9176.157.20000113A54 P107 I393A54-T110 HydrophobicContact CB-CG2 4.2Å; A54-T110 WeakPolarHBondContact O-CG2 3.39Å; A54-T110 PolarHBondContact O-OG1 3.15Å; P107-T110 WeakPolarHBondContact CD-OG1 3.41Å; P107-T110 HydrophobicContact CG-CG2 3.97Å; P107-T110 PolarHBondContact O-N 3.31Å; P107-T110 PolarHBondContact O-OG1 3.45Å; T110-I393 HydrophobicContact CG2-CD1 3.42Å; T110-I393 VanDerWaalsContact CG2-CD1 3.42Å; T110-I393 HydrophobicContact CG2-CG1 4.11Å
111F91.9Very high95.3Very high40 Ų4030.9 Ų30.918%0.17516%0.16CC..  trans-138.7126.4-165.7179.7-109.5000110.8Y106 G113 Y115 E177 N179Y106-F111 HydrophobicContact CD2-CB 3.93Å; Y106-F111 AromaticContact CD2-CD1 3.42Å; Y106-F111 HydrophobicContact CD2-CD1 3.42Å; Y106-F111 VanDerWaalsContact CD2-CD1 3.42Å; Y106-F111 HydrophobicContact CD2-CD2 4.35Å; Y106-F111 AromaticContact CD2-CE1 3.84Å; Y106-F111 HydrophobicContact CD2-CE1 3.84Å; Y106-F111 AromaticContact CD2-CG 3.68Å; Y106-F111 HydrophobicContact CD2-CG 3.68Å; Y106-F111 HydrophobicContact CD2-CZ 4.45Å; Y106-F111 HydrophobicContact CE2-CD1 4.22Å; Y106-F111 HydrophobicContact CE2-CE1 4.28Å; Y106-F111 HydrophobicContact CE2-CG 4.34Å; Y106-F111 HydrophobicContact CG-CB 3.74Å; Y106-F111 HydrophobicContact CG-CD1 4.06Å; Y106-F111 HydrophobicContact CG-CG 4.03Å; F111-G113 WeakPolarHBondContact CD1-O 3.26Å; F111-G113 WeakPolarHBondContact CE1-O 3.1Å; F111-Y115 HydrophobicContact CE2-CD2 4.11Å; F111-Y115 AromaticContact CE2-CE2 3.62Å; F111-Y115 HydrophobicContact CE2-CE2 3.62Å; F111-Y115 AromaticContact CZ-CD2 3.49Å; F111-Y115 HydrophobicContact CZ-CD2 3.49Å; F111-Y115 VanDerWaalsContact CZ-CD2 3.49Å; F111-Y115 AromaticContact CZ-CE2 3.35Å; F111-Y115 HydrophobicContact CZ-CE2 3.35Å; F111-E177 HydrophobicContact CE1-CB 4.17Å; F111-E177 HydrophobicContact CZ-CB 4.01Å; F111-N179 HydrophobicContact CD1-CB 4.33Å; F111-N179 PolarHBondContact O-ND2 3.12Å
112N91.5Very high95.3Very high154 Ų15430.8 Ų30.882%0.82416%0.159SC*.  trans-101.50.4-177.6-162.225.5000113.6
113G93.2Very high95.3Very high14 Ų1433.1 Ų33.114%0.14417%0.171CC..  trans-97178.2-173.100000114F111 N179F111-G113 WeakPolarHBondContact CD1-O 3.26Å; F111-G113 WeakPolarHBondContact CE1-O 3.1Å; G113-N179 VanDerWaalsContact O-CB 3.25Å; G113-N179 WeakPolarHBondContact O-CB 3.25Å; G113-N179 PolarHBondContact O-N 2.81Å
114S93.8Very high95.2Very high43 Ų4333.4 Ų33.430%0.30117%0.173SC..  trans-150.9126.5156.6-620000107.4E177 N179 T182S114-E177 CarbonylContact C-O 3.55Å; S114-E177 WeakPolarHBondContact CA-O 3.03Å; S114-N179 PolarHBondContact OG-N 2.03Å; S114-T182 PolarHBondContact OG-OG1 2.87Å
115Y93.5Very high95.1Very high111 Ų11137.3 Ų37.344%0.43520%0.197SC..EExtended strand (participates in β ladder)trans-133.3153-175.2-50.7-65.5000111.1F111 Y117 I176 E177F111-Y115 HydrophobicContact CE2-CD2 4.11Å; F111-Y115 AromaticContact CE2-CE2 3.62Å; F111-Y115 HydrophobicContact CE2-CE2 3.62Å; F111-Y115 AromaticContact CZ-CD2 3.49Å; F111-Y115 HydrophobicContact CZ-CD2 3.49Å; F111-Y115 VanDerWaalsContact CZ-CD2 3.49Å; F111-Y115 AromaticContact CZ-CE2 3.35Å; F111-Y115 HydrophobicContact CZ-CE2 3.35Å; Y115-Y117 WeakPolarHBondContact CB-OH 3.45Å; Y115-Y117 WeakPolarHBondContact CD1-OH 3.16Å; Y115-Y117 HydrophobicContact CG-CE2 4.15Å; Y115-Y117 AromaticContact CG-CZ 3.93Å; Y115-I176 CarbonylContact O-C 3.34Å; Y115-I176 WeakPolarHBondContact O-CA 3.21Å; Y115-I176 WeakPolarHBondContact O-CG2 3.38Å; Y115-E177 WeakPolarHBondContact CD2-OE2 3.36Å; Y115-E177 PolarHBondContact N-O 3.12Å; Y115-E177 PolarHBondContact O-N 3.39Å
116A92.6Very high95Very high33 Ų3338.5 Ų38.527%0.27320%0.203SC..EExtended strand (participates in β ladder)trans-146.5127177.100000109.4Y175 I176 W193A116-Y175 WeakPolarHBondContact CA-O 3.23Å; A116-I176 HydrophobicContact CB-CB 4.43Å; A116-I176 HydrophobicContact CB-CG1 3.94Å; A116-I176 HydrophobicContact CB-CG2 4.1Å; A116-W193 HydrophobicContact CB-CD2 3.75Å; A116-W193 HydrophobicContact CB-CE3 4.45Å; A116-W193 HydrophobicContact CB-CG 3.93Å; A116-W193 HydrophobicContact CB-CZ2 3.82Å; A116-W193 VanDerWaalsContact CB-NE1 3.34Å
117Y90.4Very high94.7Very high47 Ų4743.5 Ų43.518%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-135.8156.8-175-45.8-76.6000109.7Y115 I138 Y175Y115-Y117 WeakPolarHBondContact CB-OH 3.45Å; Y115-Y117 WeakPolarHBondContact CD1-OH 3.16Å; Y115-Y117 HydrophobicContact CG-CE2 4.15Å; Y115-Y117 AromaticContact CG-CZ 3.93Å; Y117-I138 HydrophobicContact CD1-CB 4.41Å; Y117-I138 HydrophobicContact CD1-CG1 3.92Å; Y117-I138 HydrophobicContact CD1-CG2 4.45Å; Y117-I138 HydrophobicContact CE1-CG1 4.02Å; Y117-I138 HydrophobicContact CE1-CG2 4.17Å; Y117-Y175 HydrophobicContact CD2-CD1 4.08Å; Y117-Y175 PolarHBondContact N-O 2.97Å; Y117-Y175 PolarHBondContact O-N 2.96Å
118T92.1Very high94.5Very high41 Ų4151.1 Ų51.125%0.25227%0.272SS..EExtended strand (participates in β ladder)trans-89.2131.1155.5-590000106.6D137 L172 H174T118-D137 WeakPolarHBondContact O-CA 3.37Å; T118-D137 WeakPolarHBondContact O-CB 3.34Å; T118-D137 PolarHBondContact O-N 2.87Å; T118-L172 HydrophobicContact CG2-CD2 4.25Å; T118-H174 PolarHBondContact OG1-ND1 2.86Å
119S94.7Very high94.5Very high1 Ų152.2 Ų52.21%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-122.4158.8179.7-175.90000109.2C135 L172 Y173S119-C135 WeakPolarHBondContact CA-O 3.33Å; S119-C135 PolarHBondContact OG-O 2.98Å; S119-L172 WeakPolarHBondContact O-CA 3.47Å; S119-Y173 VanDerWaalsContact CB-CE1 3.4Å; S119-Y173 PolarHBondContact N-O 3.37Å; S119-Y173 WeakPolarHBondContact O-CD1 3.32Å; S119-Y173 PolarHBondContact O-N 2.81Å; S119-Y173 VanDerWaalsContact OG-CE1 3.23Å; S119-Y173 WeakPolarHBondContact OG-CE1 3.3Å; S119-Y173 VanDerWaalsContact OG-CZ 3.27Å; S119-Y173 PolarHBondContact OG-OH 3.15Å
120S95.5Very high94.5Very high1 Ų156.9 Ų56.91%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-138.7138.7173.459.80000110.6M134 C135 K169 W171S120-M134 CarbonylContact O-C 3.43Å; S120-M134 WeakPolarHBondContact O-CA 3.17Å; S120-C135 PolarHBondContact N-O 3.04Å; S120-C135 PolarHBondContact O-N 3.29Å; S120-K169 WeakPolarHBondContact OG-CB 3.31Å; S120-K169 WeakPolarHBondContact OG-CD 3.45Å; S120-K169 WeakPolarHBondContact OG-CG 3.22Å; S120-W171 VanDerWaalsContact CA-O 3.3Å; S120-W171 WeakPolarHBondContact CA-O 3.15Å
121L97.3Very high94.5Very high0 Ų055.4 Ų55.40%029%0.294CS..EExtended strand (participates in β ladder)trans-95.3152.3165.8-58177.2000110.3Q91 I94 I95 I132 C133 M134 T170 W171 Y173Q91-L121 HydrophobicContact CB-CD1 4.36Å; Q91-L121 HydrophobicContact CG-CD1 4.44Å; I94-L121 HydrophobicContact CB-CD1 3.95Å; I94-L121 HydrophobicContact CD1-CD1 4.47Å; I94-L121 HydrophobicContact CG2-CD1 3.75Å; I94-L121 HydrophobicContact CG2-CG 4.43Å; I95-L121 HydrophobicContact CD1-CD1 4.15Å; I95-L121 HydrophobicContact CG1-CB 4.44Å; I95-L121 HydrophobicContact CG1-CD1 3.69Å; L121-I132 HydrophobicContact CD2-CG2 4.3Å; L121-C133 CarbonylContact C-O 3.49Å; L121-C133 VanDerWaalsContact CA-O 3.32Å; L121-C133 WeakPolarHBondContact CA-O 3.46Å; L121-M134 HydrophobicContact CD2-CB 3.71Å; L121-M134 HydrophobicContact CD2-CG 3.89Å; L121-M134 HydrophobicContact CD2-SD 4.42Å; L121-T170 PolarHBondContact O-N 3.1Å; L121-W171 HydrophobicContact CB-CB 4.32Å; L121-W171 HydrophobicContact CB-CE3 3.84Å; L121-W171 PolarHBondContact N-O 3Å; L121-W171 PolarHBondContact O-N 2.73Å; L121-Y173 HydrophobicContact CD2-CE1 4.29Å; L121-Y173 HydrophobicContact CG-CE1 3.92Å
122G97.1Very high94.8Very high0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-149.8179.4177.200000111.6I132 C133 P168G122-I132 WeakPolarHBondContact O-CA 3.3Å; G122-C133 PolarHBondContact N-O 3.19Å; G122-C133 PolarHBondContact O-N 3.46Å; G122-C133 PolarHBondContact O-SG 2.88Å; G122-P168 WeakPolarHBondContact CA-O 3.39Å
123I97.9Very high95.1Very high49 Ų4946.3 Ų46.325%0.25125%0.247SC..EExtended strand (participates in β ladder)trans-114.7124.3171.6-61.6175000107.9L63 I69 K130 Q131 I132 P168 W171L63-I123 HydrophobicContact CD1-CD1 4.19Å; L63-I123 HydrophobicContact CD1-CG1 4.16Å; L63-I123 HydrophobicContact CD1-CG2 3.94Å; I69-I123 HydrophobicContact CD1-CD1 4.21Å; I69-I123 HydrophobicContact CG2-CD1 4.06Å; I123-K130 HydrophobicContact CG2-CB 4.11Å; I123-K130 HydrophobicContact CG2-CD 4.45Å; I123-K130 HydrophobicContact CG2-CG 4.39Å; I123-Q131 WeakPolarHBondContact CA-O 3.47Å; I123-I132 HydrophobicContact CG1-CD1 4.24Å; I123-P168 WeakPolarHBondContact O-CD 3.4Å; I123-W171 HydrophobicContact CD1-CH2 3.82Å; I123-W171 HydrophobicContact CD1-CZ3 4.49Å; I123-W171 HydrophobicContact CG1-CH2 3.79Å; I123-W171 HydrophobicContact CG1-CZ3 3.98Å
124T97.2Very high95.2Very high6 Ų646.4 Ų46.44%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-108.4163.5171.8-173.90000110.2I126 K130 Q131 C133 T150 L162 Q166T124-I126 HydrophobicContact CG2-CG1 4.1Å; T124-K130 WeakPolarHBondContact O-CA 3.43Å; T124-Q131 HydrophobicContact CG2-CG 3.6Å; T124-Q131 PolarHBondContact N-O 2.63Å; T124-Q131 PolarHBondContact O-N 2.85Å; T124-C133 HydrophobicContact CG2-CB 3.86Å; T124-T150 HydrophobicContact CG2-CG2 4.18Å; T124-L162 HydrophobicContact CG2-CD1 3.93Å; T124-Q166 VanDerWaalsContact CB-O 3.3Å; T124-Q166 WeakPolarHBondContact CB-O 3.47Å; T124-Q166 PolarHBondContact OG1-O 3Å; T124-Q166 VanDerWaalsContact OG1-O 3.08Å
125T97.1Very high95.3Very high83 Ų8344.4 Ų44.451%0.50923%0.23SC..EExtended strand (participates in β ladder)trans-118.1116.4170.1-52.70000109.2T129T125-T129 WeakPolarHBondContact CA-O 3.45Å
126I94.6Very high95.2Very high25 Ų2541 Ų4113%0.12822%0.219CC..EExtended strand (participates in β ladder)trans-120.9126.6176-57.7-60.9000107.8T124 N128 T129 Q131 T150 L160 L162T124-I126 HydrophobicContact CG2-CG1 4.1Å; I126-N128 PolarHBondContact O-N 3Å; I126-T129 PolarHBondContact N-O 3.23Å; I126-T129 PolarHBondContact O-N 2.99Å; I126-Q131 HydrophobicContact CG1-CG 4.49Å; I126-T150 HydrophobicContact CG1-CG2 4.3Å; I126-L160 HydrophobicContact CD1-CD2 4.01Å; I126-L160 HydrophobicContact CG1-CD2 4.2Å; I126-L160 HydrophobicContact CG2-CD2 4.06Å; I126-L162 HydrophobicContact CD1-CD2 3.81Å
127N92.9Very high94.9Very high120 Ų12041.4 Ų41.464%0.64222%0.217SC*.THydrogen-bonded Turntrans5139.7-178.8-59.5-28.3000114.1T129N127-T129 PolarHBondContact O-N 3.18Å
128N94.4Very high94.2Very high161 Ų16142.7 Ų42.786%0.86123%0.226SC*.THydrogen-bonded Turntrans67.15.8-175.3-54.3-37.6000116I126I126-N128 PolarHBondContact O-N 3Å
129T95Very high93.1Very high68 Ų6845.1 Ų45.142%0.41724%0.238SC..EExtended strand (participates in β ladder)trans-101.9133.9174-54.70000109.3T125 I126 N127 Q153T125-T129 WeakPolarHBondContact CA-O 3.45Å; I126-T129 PolarHBondContact N-O 3.23Å; I126-T129 PolarHBondContact O-N 2.99Å; N127-T129 PolarHBondContact O-N 3.18Å; T129-Q153 VanDerWaalsContact CB-NE2 3.34Å
130K96.8Very high91.7Very high146 Ų14651.3 Ų51.364%0.63527%0.271SS*.EExtended strand (participates in β ladder)trans-82.2137.1173.7-68.5-179-178.9176.10109.5L63 I123 T124L63-K130 HydrophobicContact CD1-CB 3.95Å; I123-K130 HydrophobicContact CG2-CB 4.11Å; I123-K130 HydrophobicContact CG2-CD 4.45Å; I123-K130 HydrophobicContact CG2-CG 4.39Å; T124-K130 WeakPolarHBondContact O-CA 3.43Å
131Q96.1Very high90.1Very high21 Ų2156 Ų5610%0.09830%0.296CS..EExtended strand (participates in β ladder)trans-149160.4177.357.4-171.942.300111I123 T124 I126 T150 R151I123-Q131 WeakPolarHBondContact CA-O 3.47Å; T124-Q131 HydrophobicContact CG2-CG 3.6Å; T124-Q131 PolarHBondContact N-O 2.63Å; T124-Q131 PolarHBondContact O-N 2.85Å; I126-Q131 HydrophobicContact CG1-CG 4.49Å; Q131-T150 WeakPolarHBondContact CG-OG1 3.49Å; Q131-T150 PolarHBondContact NE2-OG1 3.28Å; Q131-R151 PolarHBondContact NE2-O 3.18Å
132I97.5Very high88.4Confident2 Ų265.4 Ų65.41%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-71.2141.6175.5-57.3-57.3000109.7Y60 P61 L63 I95 L121 G122 I123 T150Y60-I132 HydrophobicContact CD1-CB 4.1Å; Y60-I132 HydrophobicContact CD1-CG2 3.86Å; P61-I132 HydrophobicContact CG-CG1 4.33Å; L63-I132 HydrophobicContact CD1-CD1 4.14Å; L63-I132 HydrophobicContact CD2-CD1 3.52Å; L63-I132 HydrophobicContact CD2-CG1 4.23Å; L63-I132 HydrophobicContact CG-CD1 3.89Å; L63-I132 HydrophobicContact CG-CG1 4.24Å; I95-I132 HydrophobicContact CD1-CD1 3.54Å; I95-I132 HydrophobicContact CD1-CG1 3.77Å; I95-I132 HydrophobicContact CD1-CG2 4.09Å; I95-I132 HydrophobicContact CG1-CD1 4.49Å; L121-I132 HydrophobicContact CD2-CG2 4.3Å; G122-I132 WeakPolarHBondContact O-CA 3.3Å; I123-I132 HydrophobicContact CG1-CD1 4.24Å; I132-T150 WeakPolarHBondContact O-CB 3.34Å; I132-T150 PolarHBondContact O-OG1 3.4Å
133C97.4Very high86.6Confident0 Ų074 Ų740%038%0.38CS..EExtended strand (participates in β ladder)trans-128152.4169.960.70000109.8L121 G122 T124 K149 L162 C167L121-C133 CarbonylContact C-O 3.49Å; L121-C133 VanDerWaalsContact CA-O 3.32Å; L121-C133 WeakPolarHBondContact CA-O 3.46Å; G122-C133 PolarHBondContact N-O 3.19Å; G122-C133 PolarHBondContact O-N 3.46Å; G122-C133 PolarHBondContact O-SG 2.88Å; T124-C133 HydrophobicContact CG2-CB 3.86Å; C133-K149 CarbonylContact C-O 3.52Å; C133-K149 VanDerWaalsContact CA-O 3.24Å; C133-K149 WeakPolarHBondContact CA-O 3.35Å; C133-K149 WeakPolarHBondContact CB-O 3.36Å; C133-L162 HydrophobicContact CB-CD1 3.75Å; C133-C167 VanDerWaalsContact C-SG 3.56Å; C133-C167 HydrophobicContact CB-CB 3.8Å; C133-C167 WeakPolarHBondContact CB-SG 3.43Å; C133-C167 WeakPolarHBondContact SG-CA 3.31Å; C133-C167 WeakPolarHBondContact SG-CB 3.46Å; C133-C167 CovalentContact SG-SG 2.02Å; C133-C167 PolarHBondContact SG-SG 3.13Å
134M96.5Very high84.8Confident16 Ų1675.1 Ų75.18%0.07939%0.386CS..EExtended strand (participates in β ladder)trans-122.7139.7178.4179.8173.464.500109.8Y60 S120 L121 L136 C148 K149 Y173Y60-M134 HydrophobicContact CE1-CB 3.91Å; S120-M134 CarbonylContact O-C 3.43Å; S120-M134 WeakPolarHBondContact O-CA 3.17Å; L121-M134 HydrophobicContact CD2-CB 3.71Å; L121-M134 HydrophobicContact CD2-CG 3.89Å; L121-M134 HydrophobicContact CD2-SD 4.42Å; M134-L136 HydrophobicContact SD-CD2 4.34Å; M134-C148 CarbonylContact O-C 3.51Å; M134-C148 VanDerWaalsContact O-CA 3.25Å; M134-C148 WeakPolarHBondContact O-CA 3.27Å; M134-K149 PolarHBondContact N-O 2.86Å; M134-K149 PolarHBondContact O-N 2.91Å; M134-Y173 PolarHBondContact SD-OH 3.02Å; M134-Y173 VanDerWaalsContact SD-OH 3.39Å
135C94.6Very high82.9Confident2 Ų279 Ų791%0.01441%0.407CS..EExtended strand (participates in β ladder)trans-123.8128171.2-59.30000110.7S119 S120 N147 C148S119-C135 WeakPolarHBondContact CA-O 3.33Å; S119-C135 PolarHBondContact OG-O 2.98Å; S120-C135 PolarHBondContact N-O 3.04Å; S120-C135 PolarHBondContact O-N 3.29Å; C135-N147 WeakPolarHBondContact CA-O 3.14Å; C135-C148 HydrophobicContact CB-CB 4.09Å; C135-C148 WeakPolarHBondContact CB-SG 3.34Å; C135-C148 WeakPolarHBondContact SG-CB 3.44Å; C135-C148 CovalentContact SG-SG 2.03Å; C135-C148 PolarHBondContact SG-SG 2.81Å
136L91.6Very high81.5Confident39 Ų3980.5 Ų80.520%0.20442%0.416CS..EExtended strand (participates in β ladder)trans-93.5124.8173.5-61.7175.4000110.5M134 I138 N147 Y175M134-L136 HydrophobicContact SD-CD2 4.34Å; L136-I138 HydrophobicContact CB-CD1 4.27Å; L136-I138 HydrophobicContact CB-CG1 3.97Å; L136-I138 PolarHBondContact O-N 3.31Å; L136-N147 HydrophobicContact CB-CB 4.4Å; L136-N147 PolarHBondContact N-O 2.57Å; L136-N147 WeakPolarHBondContact O-CB 3.42Å; L136-Y175 HydrophobicContact CD2-CD1 4.47Å
137D86.3Confident81.2Confident42 Ų4281.6 Ų81.623%0.22542%0.422CS..EExtended strand (participates in β ladder)trans-93.784.1174.7-149.3-36.4000109.7T118 N140 K169T118-D137 WeakPolarHBondContact O-CA 3.37Å; T118-D137 WeakPolarHBondContact O-CB 3.34Å; T118-D137 PolarHBondContact O-N 2.87Å; D137-N140 VanDerWaalsContact OD1-CA 3.29Å; D137-N140 WeakPolarHBondContact OD1-CA 3.29Å; D137-N140 PolarHBondContact OD1-N 2.84Å; D137-K169 IonicContact OD2-NZ 3.04Å; D137-K169 PolarHBondContact OD2-NZ 2.98Å
138I76.3Confident81.3Confident74 Ų7476.2 Ų76.238%0.37939%0.393SS..SBendtrans-81.3-31.9-172.5-58.3178000111.4Y117 L136Y117-I138 HydrophobicContact CD1-CB 4.41Å; Y117-I138 HydrophobicContact CD1-CG1 3.92Å; Y117-I138 HydrophobicContact CD1-CG2 4.45Å; Y117-I138 HydrophobicContact CE1-CG1 4.02Å; Y117-I138 HydrophobicContact CE1-CG2 4.17Å; L136-I138 HydrophobicContact CB-CD1 4.27Å; L136-I138 HydrophobicContact CB-CG1 3.97Å; L136-I138 PolarHBondContact O-N 3.31Å
139N69.3Low81.3Confident91 Ų9171.7 Ų71.749%0.48737%0.366SS..SBendtrans-129.8-1.2-169-71.4-31000115.6N141 D144N139-N141 HydrophobicContact CB-CB 4.05Å; N139-N141 PolarHBondContact O-N 2.72Å; N139-D144 PolarHBondContact ND2-OD2 2.97Å
140N63.6Low81.4Confident132 Ų13268.4 Ų68.471%0.70635%0.346SS*.  trans51.111.1-164.1-62.5-37.6000113.9D137 E142D137-N140 VanDerWaalsContact OD1-CA 3.29Å; D137-N140 WeakPolarHBondContact OD1-CA 3.29Å; D137-N140 PolarHBondContact OD1-N 2.84Å; N140-E142 PolarHBondContact O-N 3.04Å
141N62.3Low81.3Confident100 Ų10063.5 Ų63.554%0.53532%0.324SS..  trans-82.4105.5175.8-72.9-18000106.6N139 E143 D144N139-N141 HydrophobicContact CB-CB 4.05Å; N139-N141 PolarHBondContact O-N 2.72Å; N141-E143 PolarHBondContact O-N 3.03Å; N141-D144 PolarHBondContact O-N 3.46Å
142E61Low81.1Confident196 Ų19664.3 Ų64.392%0.91633%0.329SS*.THydrogen-bonded Turntrans-57.8-15.4179.7-65-174.8161.500113.3N140N140-E142 PolarHBondContact O-N 3.04Å
143E60.6Low80.7Confident180 Ų18068 Ų6884%0.84135%0.346SS*.THydrogen-bonded Turntrans-95-7.9-177.3-65.3-173.4167.400114.9N141 D145N141-E143 PolarHBondContact O-N 3.03Å; E143-D145 PolarHBondContact O-N 3.24Å
144D59.8Low80.3Confident73 Ų7374.8 Ų74.839%0.3938%0.382SS..  trans-7975.4176.6-73.6-23.4000109.7N139 N141 V146N139-D144 PolarHBondContact ND2-OD2 2.97Å; N141-D144 PolarHBondContact O-N 3.46Å; D144-V146 PolarHBondContact O-N 3.19Å
145D58.4Low79.8Confident87 Ų8776.9 Ų76.947%0.46539%0.394SS..THydrogen-bonded Turntrans-59.62.7-177.6-113.5-21.5000114.8E143 F164E143-D145 PolarHBondContact O-N 3.24Å; D145-F164 PolarHBondContact OD1-N 2.86Å
146V67.4Low79.2Confident116 Ų11681.5 Ų81.570%0.70342%0.422SS*.THydrogen-bonded Turntrans-103.5-0.1-162.8-162.10000113.8D144D144-V146 PolarHBondContact O-N 3.19Å
147N87.9Confident78.7Confident47 Ų4786.7 Ų86.725%0.25145%0.449SS..  trans-103.87.2-170.2-62.2-28.6000115.2C135 L136C135-N147 WeakPolarHBondContact CA-O 3.14Å; L136-N147 HydrophobicContact CB-CB 4.4Å; L136-N147 PolarHBondContact N-O 2.57Å; L136-N147 WeakPolarHBondContact O-CB 3.42Å
148C94.1Very high78.9Confident7 Ų789 Ų895%0.04746%0.462CS..EExtended strand (participates in β ladder)trans-99140.7174.3-61.40000111M134 C135 L162 C167M134-C148 CarbonylContact O-C 3.51Å; M134-C148 VanDerWaalsContact O-CA 3.25Å; M134-C148 WeakPolarHBondContact O-CA 3.27Å; C135-C148 HydrophobicContact CB-CB 4.09Å; C135-C148 WeakPolarHBondContact CB-SG 3.34Å; C135-C148 WeakPolarHBondContact SG-CB 3.44Å; C135-C148 CovalentContact SG-SG 2.03Å; C135-C148 PolarHBondContact SG-SG 2.81Å; C148-L162 HydrophobicContact CB-CB 4.08Å; C148-L162 WeakPolarHBondContact CB-O 3.45Å; C148-L162 PolarHBondContact O-N 3.38Å; C148-C167 HydrophobicContact CB-CB 4.16Å
149K95.9Very high79.7Confident66 Ų6688.5 Ų88.529%0.28746%0.46SS..EExtended strand (participates in β ladder)trans-151.2164.1-177.254.3178.5-157.1158.30112.2Y60 C133 M134 D159 L160Y60-K149 WeakPolarHBondContact OH-CG 3.28Å; C133-K149 CarbonylContact C-O 3.52Å; C133-K149 VanDerWaalsContact CA-O 3.24Å; C133-K149 WeakPolarHBondContact CA-O 3.35Å; C133-K149 WeakPolarHBondContact CB-O 3.36Å; M134-K149 PolarHBondContact N-O 2.86Å; M134-K149 PolarHBondContact O-N 2.91Å; K149-D159 HydrophobicContact CB-CB 4.04Å; K149-D159 HydrophobicContact CD-CB 4.04Å; K149-D159 VanDerWaalsContact CD-OD2 3.26Å; K149-D159 WeakPolarHBondContact CD-OD2 3.45Å; K149-D159 VanDerWaalsContact CE-OD2 3.25Å; K149-D159 WeakPolarHBondContact CE-OD2 3.41Å; K149-D159 IonicContact NZ-OD2 3.99Å; K149-D159 PolarHBondContact NZ-OD2 2.88Å; K149-L160 WeakPolarHBondContact CA-O 3.28Å
150T96.1Very high80.9Confident0 Ų086.8 Ų86.80%045%0.45CS..EExtended strand (participates in β ladder)trans-154.1159.9179.1-173.40000109.4T124 I126 Q131 I132 N152 D159 L160 L162T124-T150 HydrophobicContact CG2-CG2 4.18Å; I126-T150 HydrophobicContact CG1-CG2 4.3Å; Q131-T150 WeakPolarHBondContact CG-OG1 3.49Å; Q131-T150 PolarHBondContact NE2-OG1 3.28Å; I132-T150 WeakPolarHBondContact O-CB 3.34Å; I132-T150 PolarHBondContact O-OG1 3.4Å; T150-N152 PolarHBondContact O-N 2.73Å; T150-D159 CarbonylContact O-C 3.51Å; T150-D159 WeakPolarHBondContact O-CA 3.37Å; T150-L160 HydrophobicContact CG2-CB 4Å; T150-L160 HydrophobicContact CG2-CD2 4.27Å; T150-L160 PolarHBondContact N-O 2.82Å; T150-L160 VanDerWaalsContact N-O 3.1Å; T150-L160 PolarHBondContact O-N 3.24Å; T150-L162 HydrophobicContact CG2-CD1 3.61Å; T150-L162 HydrophobicContact CG2-CD2 4Å; T150-L162 HydrophobicContact CG2-CG 3.88Å
151R94.3Very high82.3Confident42 Ų4285.2 Ų85.216%0.15845%0.447CS..EExtended strand (participates in β ladder)trans-56.9131.4176.2-168.6177.6-76.7164.8-8.1111.3D59 Y60 E88 Q131D59-R151 IonicContact OD1-CZ 2.93Å; D59-R151 IonicContact OD1-NE 3.71Å; D59-R151 IonicContact OD1-NH2 3.8Å; D59-R151 PolarHBondContact OD1-NH2 3.34Å; D59-R151 IonicContact OD2-CZ 3.74Å; D59-R151 IonicContact OD2-NE 2.75Å; D59-R151 IonicContact OD2-NH2 2.81Å; D59-R151 PolarHBondContact OD2-NH2 2.84Å; Y60-R151 HydrophobicContact CD2-CB 3.83Å; Y60-R151 HydrophobicContact CE2-CB 4.3Å; Y60-R151 PolarHBondContact O-NH1 3.04Å; Y60-R151 PolarHBondContact O-NH2 3.16Å; E88-R151 IonicContact OE1-CZ 3.4Å; E88-R151 IonicContact OE1-NH1 3.24Å; E88-R151 PolarHBondContact OE1-NH1 3.46Å; E88-R151 IonicContact OE1-NH2 2.88Å; E88-R151 PolarHBondContact OE1-NH2 3.08Å; Q131-R151 PolarHBondContact NE2-O 3.18Å
152N93.3Very high83.9Confident39 Ų3980.9 Ų80.921%0.20942%0.424CS..  trans-82.1117169.9-178.3-4.2000109.6T150 N154 D155 T156 N158 L160T150-N152 PolarHBondContact O-N 2.73Å; N152-N154 PolarHBondContact O-N 3.37Å; N152-N154 PolarHBondContact OD1-N 2.88Å; N152-D155 WeakPolarHBondContact CB-O 3.25Å; N152-D155 CarbonylContact O-C 3.28Å; N152-D155 PolarHBondContact O-N 3.04Å; N152-T156 PolarHBondContact O-N 2.56Å; N152-N158 WeakPolarHBondContact CB-O 3.01Å; N152-N158 PolarHBondContact N-O 3.26Å; N152-L160 HydrophobicContact CB-CB 4.29Å
153Q88Confident85.3Confident78 Ų7873.3 Ų73.336%0.36439%0.393SS..THydrogen-bonded Turntrans-64.7-24.7-178.5-66.8175.9-4.300113.7T129T129-Q153 VanDerWaalsContact CB-NE2 3.34Å
154N88.5Confident86.6Confident143 Ų14369.1 Ų69.177%0.76537%0.372SS*.THydrogen-bonded Turntrans-89.2-16.4-179.7-63.4-32.7000112.7N152N152-N154 PolarHBondContact O-N 3.37Å; N152-N154 PolarHBondContact OD1-N 2.88Å
155D87.5Confident88.1Confident61 Ų6174.7 Ų74.733%0.32639%0.393SS..  trans-155.288.3-176.5-177.92.5000108.8N152 L157 N158N152-D155 WeakPolarHBondContact CB-O 3.25Å; N152-D155 CarbonylContact O-C 3.28Å; N152-D155 PolarHBondContact O-N 3.04Å; D155-L157 PolarHBondContact O-N 3.14Å; D155-L157 VanDerWaalsContact O-N 3.08Å; D155-L157 WeakPolarHBondContact OD1-CB 3.47Å; D155-L157 PolarHBondContact OD1-N 2.99Å; D155-N158 PolarHBondContact O-N 3.32Å; D155-N158 VanDerWaalsContact O-O 3.11Å; D155-N158 PolarHBondContact OD2-ND2 3.44Å
156T81.5Confident89.8Confident98 Ų9875 Ų7560%0.60139%0.391SS*.THydrogen-bonded Turntrans-65.4-13.1-173.954.80000113.4N152 N158N152-T156 PolarHBondContact O-N 2.56Å; T156-N158 VanDerWaalsContact C-N 3.27Å
157L81.5Confident91.1Very high148 Ų14869.4 Ų69.478%0.77536%0.357SS*.THydrogen-bonded Turntrans-77.3-15.9175.2-61.3174.5000112.6D155D155-L157 PolarHBondContact O-N 3.14Å; D155-L157 VanDerWaalsContact O-N 3.08Å; D155-L157 WeakPolarHBondContact OD1-CB 3.47Å; D155-L157 PolarHBondContact OD1-N 2.99Å
158N88.7Confident91.4Very high91 Ų9170.4 Ų70.449%0.48737%0.366SS..SBendtrans-120.9137.5-176.1-74.1-57000111.6N152 D155 T156N152-N158 WeakPolarHBondContact CB-O 3.01Å; N152-N158 PolarHBondContact N-O 3.26Å; D155-N158 PolarHBondContact O-N 3.32Å; D155-N158 VanDerWaalsContact O-O 3.11Å; D155-N158 PolarHBondContact OD2-ND2 3.44Å; T156-N158 VanDerWaalsContact C-N 3.27Å
159D93.2Very high91.3Very high63 Ų6373.4 Ų73.434%0.33738%0.378SS..EExtended strand (participates in β ladder)trans-78.2140.7169.8-83.2-51.6000111Y60 K149 T150Y60-D159 WeakPolarHBondContact CE2-OD1 3.05Å; Y60-D159 PolarHBondContact OH-OD1 2.85Å; K149-D159 HydrophobicContact CB-CB 4.04Å; K149-D159 HydrophobicContact CD-CB 4.04Å; K149-D159 VanDerWaalsContact CD-OD2 3.26Å; K149-D159 WeakPolarHBondContact CD-OD2 3.45Å; K149-D159 VanDerWaalsContact CE-OD2 3.25Å; K149-D159 WeakPolarHBondContact CE-OD2 3.41Å; K149-D159 IonicContact NZ-OD2 3.99Å; K149-D159 PolarHBondContact NZ-OD2 2.88Å; T150-D159 CarbonylContact O-C 3.51Å; T150-D159 WeakPolarHBondContact O-CA 3.37Å
160L94.4Very high91.2Very high56 Ų5674 Ų7429%0.29339%0.388SS..EExtended strand (participates in β ladder)trans-86.8117.5167.9-179.470.7000109.2I126 K149 T150 N152 L162I126-L160 HydrophobicContact CD1-CD2 4.01Å; I126-L160 HydrophobicContact CG1-CD2 4.2Å; I126-L160 HydrophobicContact CG2-CD2 4.06Å; K149-L160 WeakPolarHBondContact CA-O 3.28Å; T150-L160 HydrophobicContact CG2-CB 4Å; T150-L160 HydrophobicContact CG2-CD2 4.27Å; T150-L160 PolarHBondContact N-O 2.82Å; T150-L160 VanDerWaalsContact N-O 3.1Å; T150-L160 PolarHBondContact O-N 3.24Å; N152-L160 HydrophobicContact CB-CB 4.29Å; L160-L162 HydrophobicContact CD2-CD2 4.27Å; L160-L162 HydrophobicContact CG-CD2 4.45Å
161P94.9Very high91.2Very high98 Ų9874.9 Ų74.964%0.63639%0.391SS*.EExtended strand (participates in β ladder)trans-66.4142.2174.527.7-34.8000110.9
162L94Very high91.2Very high9 Ų977.7 Ų77.75%0.04741%0.409CS..EExtended strand (participates in β ladder)trans-127.4149.7179.8-61.2179.8000110.2T124 I126 C133 C148 T150 L160 Q166 C167T124-L162 HydrophobicContact CG2-CD1 3.93Å; I126-L162 HydrophobicContact CD1-CD2 3.81Å; C133-L162 HydrophobicContact CB-CD1 3.75Å; C148-L162 HydrophobicContact CB-CB 4.08Å; C148-L162 WeakPolarHBondContact CB-O 3.45Å; C148-L162 PolarHBondContact O-N 3.38Å; T150-L162 HydrophobicContact CG2-CD1 3.61Å; T150-L162 HydrophobicContact CG2-CD2 4Å; T150-L162 HydrophobicContact CG2-CG 3.88Å; L160-L162 HydrophobicContact CD2-CD2 4.27Å; L160-L162 HydrophobicContact CG-CD2 4.45Å; L162-Q166 HydrophobicContact CB-CB 4.22Å; L162-Q166 HydrophobicContact CD2-CB 4.46Å; L162-C167 HydrophobicContact CD1-CB 4.28Å
163S91.4Very high91.4Very high37 Ų3776 Ų7626%0.25940%0.4SS..  trans-71155.8162.9650000110.7K165 Q166S163-K165 PolarHBondContact O-N 3.11Å; S163-K165 VanDerWaalsContact O-N 3.15Å; S163-Q166 WeakPolarHBondContact O-CB 3.22Å; S163-Q166 PolarHBondContact O-N 2.88Å; S163-Q166 WeakPolarHBondContact OG-CG 3.39Å; S163-Q166 PolarHBondContact OG-OE1 3.03Å
164F88.1Confident91.7Very high93 Ų9374.3 Ų74.341%0.40839%0.391SS..G310 helixtrans-54.9-36.4177.8173-84.9000112.7D145 Q166 C167 K169D145-F164 PolarHBondContact OD1-N 2.86Å; F164-Q166 PolarHBondContact O-N 3.43Å; F164-C167 CarbonylContact O-C 3.15Å; F164-C167 PolarHBondContact O-N 2.91Å; F164-C167 VanDerWaalsContact O-O 3.14Å; F164-K169 HydrophobicContact CD2-CD 4.3Å; F164-K169 HydrophobicContact CD2-CG 4.32Å; F164-K169 HydrophobicContact CE2-CD 3.45Å; F164-K169 VanDerWaalsContact CE2-CD 3.45Å; F164-K169 HydrophobicContact CE2-CG 3.61Å; F164-K169 HydrophobicContact CZ-CD 4.16Å; F164-K169 HydrophobicContact CZ-CG 4.1Å
165K90.4Very high92.1Very high190 Ų19068.2 Ų68.283%0.82636%0.358SS*.G310 helixtrans-67.1-22.6179.9-65.8178.2-176.3169.50113.3S163S163-K165 PolarHBondContact O-N 3.11Å; S163-K165 VanDerWaalsContact O-N 3.15Å
166Q94.6Very high92.5Very high92 Ų9265.3 Ų65.343%0.4334%0.343SS..G310 helixtrans-84.2-17.8177.8-69.8168.4-69.900112.6T124 L162 S163 F164T124-Q166 VanDerWaalsContact CB-O 3.3Å; T124-Q166 WeakPolarHBondContact CB-O 3.47Å; T124-Q166 PolarHBondContact OG1-O 3Å; T124-Q166 VanDerWaalsContact OG1-O 3.08Å; L162-Q166 HydrophobicContact CB-CB 4.22Å; L162-Q166 HydrophobicContact CD2-CB 4.46Å; S163-Q166 WeakPolarHBondContact O-CB 3.22Å; S163-Q166 PolarHBondContact O-N 2.88Å; S163-Q166 WeakPolarHBondContact OG-CG 3.39Å; S163-Q166 PolarHBondContact OG-OE1 3.03Å; F164-Q166 PolarHBondContact O-N 3.43Å
167C95.5Very high93.3Very high0 Ų062.3 Ų62.30%032%0.322CS..SBendtrans-122.391179.3-172.50000111.2C133 C148 L162 F164 K169C133-C167 VanDerWaalsContact C-SG 3.56Å; C133-C167 HydrophobicContact CB-CB 3.8Å; C133-C167 WeakPolarHBondContact CB-SG 3.43Å; C133-C167 WeakPolarHBondContact SG-CA 3.31Å; C133-C167 WeakPolarHBondContact SG-CB 3.46Å; C133-C167 CovalentContact SG-SG 2.02Å; C133-C167 PolarHBondContact SG-SG 3.13Å; C148-C167 HydrophobicContact CB-CB 4.16Å; L162-C167 HydrophobicContact CD1-CB 4.28Å; F164-C167 CarbonylContact O-C 3.15Å; F164-C167 PolarHBondContact O-N 2.91Å; F164-C167 VanDerWaalsContact O-O 3.14Å; C167-K169 PolarHBondContact O-N 3.41Å; C167-K169 VanDerWaalsContact O-N 3.12Å
168P93.1Very high94.1Very high67 Ų6755.3 Ų55.344%0.43529%0.285SS..  trans-60.2115.8178-21.432.7000111.5G122 I123 T170G122-P168 WeakPolarHBondContact CA-O 3.39Å; I123-P168 WeakPolarHBondContact O-CD 3.4Å; P168-T170 VanDerWaalsContact C-N 3.34Å; P168-T170 PolarHBondContact O-N 2.83Å; P168-T170 PolarHBondContact O-OG1 2.78Å
169K91.6Very high94.5Very high70 Ų7051.1 Ų51.130%0.30426%0.263SS..  trans-64.286177.4-61.3-161.3164.9161.30111.4S120 D137 F164 C167S120-K169 WeakPolarHBondContact OG-CB 3.31Å; S120-K169 WeakPolarHBondContact OG-CD 3.45Å; S120-K169 WeakPolarHBondContact OG-CG 3.22Å; D137-K169 IonicContact OD2-NZ 3.04Å; D137-K169 PolarHBondContact OD2-NZ 2.98Å; F164-K169 HydrophobicContact CD2-CD 4.3Å; F164-K169 HydrophobicContact CD2-CG 4.32Å; F164-K169 HydrophobicContact CE2-CD 3.45Å; F164-K169 VanDerWaalsContact CE2-CD 3.45Å; F164-K169 HydrophobicContact CE2-CG 3.61Å; F164-K169 HydrophobicContact CZ-CD 4.16Å; F164-K169 HydrophobicContact CZ-CG 4.1Å; C167-K169 PolarHBondContact O-N 3.41Å; C167-K169 VanDerWaalsContact O-N 3.12Å
170T94.3Very high94.8Very high79 Ų7948.1 Ų48.149%0.48525%0.247SC..  trans-99.3-45.7-168.5-54.40000111.6L121 P168L121-T170 PolarHBondContact O-N 3.1Å; P168-T170 VanDerWaalsContact C-N 3.34Å; P168-T170 PolarHBondContact O-N 2.83Å; P168-T170 PolarHBondContact O-OG1 2.78Å
171W95.8Very high94.9Very high18 Ų1849.7 Ų49.77%0.06826%0.255CS..EExtended strand (participates in β ladder)trans-113.890.5-178.9-54.3-76.5000110I69 I94 I95 S120 L121 I123I69-W171 HydrophobicContact CG2-CH2 3.58Å; I69-W171 HydrophobicContact CG2-CZ2 3.35Å; I94-W171 HydrophobicContact CG2-CB 4.46Å; I95-W171 HydrophobicContact CG1-CE3 4.24Å; I95-W171 HydrophobicContact CG2-CD2 4.44Å; I95-W171 HydrophobicContact CG2-CE3 4.46Å; I95-W171 HydrophobicContact CG2-CH2 4.27Å; I95-W171 HydrophobicContact CG2-CZ2 4.25Å; I95-W171 HydrophobicContact CG2-CZ3 4.37Å; S120-W171 VanDerWaalsContact CA-O 3.3Å; S120-W171 WeakPolarHBondContact CA-O 3.15Å; L121-W171 HydrophobicContact CB-CB 4.32Å; L121-W171 HydrophobicContact CB-CE3 3.84Å; L121-W171 PolarHBondContact N-O 3Å; L121-W171 PolarHBondContact O-N 2.73Å; I123-W171 HydrophobicContact CD1-CH2 3.82Å; I123-W171 HydrophobicContact CD1-CZ3 4.49Å; I123-W171 HydrophobicContact CG1-CH2 3.79Å; I123-W171 HydrophobicContact CG1-CZ3 3.98Å
172L95.3Very high94.9Very high101 Ų10147.6 Ų47.653%0.52924%0.24SC..EExtended strand (participates in β ladder)trans-72.7136.5175.4-71.2162.7000110.9T118 S119T118-L172 HydrophobicContact CG2-CD2 4.25Å; S119-L172 WeakPolarHBondContact O-CA 3.47Å
173Y96.3Very high95.1Very high4 Ų447.2 Ų47.22%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-148.4162.8174.171.5-76.7000110.9M58 I94 Q100 V102 S119 L121 M134 Y175M58-Y173 HydrophobicContact CE-CE2 3.94Å; M58-Y173 VanDerWaalsContact CE-OH 3.3Å; M58-Y173 WeakPolarHBondContact CE-OH 3.44Å; I94-Y173 HydrophobicContact CD1-CD1 4.31Å; I94-Y173 HydrophobicContact CD1-CD2 3.8Å; I94-Y173 HydrophobicContact CD1-CE1 4.22Å; I94-Y173 HydrophobicContact CD1-CE2 3.69Å; I94-Y173 HydrophobicContact CD1-CG 4.11Å; I94-Y173 HydrophobicContact CG2-CD1 3.86Å; I94-Y173 HydrophobicContact CG2-CE1 4.42Å; I94-Y173 HydrophobicContact CG2-CG 4.09Å; Q100-Y173 WeakPolarHBondContact O-CA 3.35Å; Q100-Y173 WeakPolarHBondContact O-CB 3.31Å; V102-Y173 HydrophobicContact CG2-CD2 4.38Å; S119-Y173 VanDerWaalsContact CB-CE1 3.4Å; S119-Y173 PolarHBondContact N-O 3.37Å; S119-Y173 WeakPolarHBondContact O-CD1 3.32Å; S119-Y173 PolarHBondContact O-N 2.81Å; S119-Y173 VanDerWaalsContact OG-CE1 3.23Å; S119-Y173 WeakPolarHBondContact OG-CE1 3.3Å; S119-Y173 VanDerWaalsContact OG-CZ 3.27Å; S119-Y173 PolarHBondContact OG-OH 3.15Å; L121-Y173 HydrophobicContact CD2-CE1 4.29Å; L121-Y173 HydrophobicContact CG-CE1 3.92Å; M134-Y173 PolarHBondContact SD-OH 3.02Å; M134-Y173 VanDerWaalsContact SD-OH 3.39Å; Y173-Y175 AromaticContact CE2-CD2 3.98Å; Y173-Y175 HydrophobicContact CE2-CD2 3.98Å; Y173-Y175 HydrophobicContact CE2-CG 4.11Å
174H95.8Very high95.4Very high42 Ų4246.2 Ų46.219%0.19423%0.231CC..EExtended strand (participates in β ladder)trans-94.9129.7171.6-65.9-43.9000109.5Q100 T101 V102 T118 I176 W193Q100-H174 PolarHBondContact O-N 2.87Å; T101-H174 CarbonylContact C-O 3.41Å; T101-H174 WeakPolarHBondContact CA-O 3.21Å; T101-H174 HydrophobicContact CG2-CB 3.92Å; V102-H174 PolarHBondContact N-O 2.98Å; T118-H174 PolarHBondContact OG1-ND1 2.86Å; H174-I176 HydrophobicContact CB-CD1 3.95Å; H174-W193 HydrophobicContact CB-CZ3 3.99Å; H174-W193 AromaticContact CG-CZ3 3.85Å; H174-W193 AromaticContact ND1-CZ3 3.82Å
175Y96.1Very high95.8Very high15 Ų1546.3 Ų46.36%0.05924%0.236CC..EExtended strand (participates in β ladder)trans-120.2117.8-177.8-176.2-121.3000109.3M58 V102 I104 A116 Y117 L136 Y173 E177M58-Y175 HydrophobicContact CE-CD2 4.09Å; M58-Y175 HydrophobicContact CE-CE2 3.93Å; M58-Y175 HydrophobicContact CG-CE2 4.23Å; V102-Y175 HydrophobicContact CB-CD2 4.35Å; V102-Y175 HydrophobicContact CG1-CD2 4.42Å; I104-Y175 HydrophobicContact CD1-CE2 3.58Å; I104-Y175 HydrophobicContact CG1-CE2 4.02Å; A116-Y175 WeakPolarHBondContact CA-O 3.23Å; Y117-Y175 HydrophobicContact CD2-CD1 4.08Å; Y117-Y175 PolarHBondContact N-O 2.97Å; Y117-Y175 PolarHBondContact O-N 2.96Å; L136-Y175 HydrophobicContact CD2-CD1 4.47Å; Y173-Y175 AromaticContact CE2-CD2 3.98Å; Y173-Y175 HydrophobicContact CE2-CD2 3.98Å; Y173-Y175 HydrophobicContact CE2-CG 4.11Å; Y175-E177 HydrophobicContact CE1-CG 3.69Å; Y175-E177 WeakPolarHBondContact CE1-OE1 3.26Å; Y175-E177 HydrophobicContact CE2-CG 4.44Å; Y175-E177 WeakPolarHBondContact OH-CG 3.45Å; Y175-E177 PolarHBondContact OH-OE1 2.97Å
176I96.9Very high96.1Very high1 Ų139.2 Ų39.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-129.5119.9-175.5-55.192.2000108.5T101 V102 Y103 I104 Y115 A116 H174 L178 W193T101-I176 HydrophobicContact CG2-CD1 3.81Å; V102-I176 WeakPolarHBondContact O-CD1 3.15Å; V102-I176 PolarHBondContact O-N 3.45Å; Y103-I176 CarbonylContact C-O 3.59Å; Y103-I176 VanDerWaalsContact CA-O 3.3Å; Y103-I176 WeakPolarHBondContact CA-O 3.26Å; Y103-I176 HydrophobicContact CD1-CB 3.65Å; Y103-I176 HydrophobicContact CD1-CD1 4.14Å; Y103-I176 HydrophobicContact CD1-CG1 4.12Å; Y103-I176 HydrophobicContact CD1-CG2 3.76Å; Y103-I176 HydrophobicContact CE1-CB 3.97Å; Y103-I176 HydrophobicContact CE1-CD1 3.87Å; Y103-I176 HydrophobicContact CE1-CG1 3.92Å; Y103-I176 HydrophobicContact CE1-CG2 4.01Å; Y103-I176 HydrophobicContact CE2-CD1 4.44Å; Y103-I176 HydrophobicContact CG-CB 4.38Å; I104-I176 PolarHBondContact N-O 3.04Å; Y115-I176 CarbonylContact O-C 3.34Å; Y115-I176 WeakPolarHBondContact O-CA 3.21Å; Y115-I176 WeakPolarHBondContact O-CG2 3.38Å; A116-I176 HydrophobicContact CB-CB 4.43Å; A116-I176 HydrophobicContact CB-CG1 3.94Å; A116-I176 HydrophobicContact CB-CG2 4.1Å; H174-I176 HydrophobicContact CB-CD1 3.95Å; I176-L178 HydrophobicContact CG2-CD1 4.25Å; I176-L178 HydrophobicContact CG2-CD2 3.54Å; I176-L178 HydrophobicContact CG2-CG 3.8Å; I176-W193 HydrophobicContact CD1-CE3 4.04Å; I176-W193 HydrophobicContact CD1-CZ3 4.35Å; I176-W193 HydrophobicContact CG1-CD2 4.29Å; I176-W193 HydrophobicContact CG1-CE3 3.91Å; I176-W193 HydrophobicContact CG1-CZ3 4.43Å
177E97.4Very high96.2Very high34 Ų3434.9 Ų34.916%0.15919%0.186CC..EExtended strand (participates in β ladder)trans-103.7127.9173.8-71.1-179.5177.600109I104 Y106 F111 S114 Y115 Y175I104-E177 CarbonylContact O-C 3.55Å; I104-E177 WeakPolarHBondContact O-CA 3.43Å; Y106-E177 HydrophobicContact CE2-CB 3.86Å; Y106-E177 HydrophobicContact CE2-CG 3.84Å; F111-E177 HydrophobicContact CE1-CB 4.17Å; F111-E177 HydrophobicContact CZ-CB 4.01Å; S114-E177 CarbonylContact C-O 3.55Å; S114-E177 WeakPolarHBondContact CA-O 3.03Å; Y115-E177 WeakPolarHBondContact CD2-OE2 3.36Å; Y115-E177 PolarHBondContact N-O 3.12Å; Y115-E177 PolarHBondContact O-N 3.39Å; Y175-E177 HydrophobicContact CE1-CG 3.69Å; Y175-E177 WeakPolarHBondContact CE1-OE1 3.26Å; Y175-E177 HydrophobicContact CE2-CG 4.44Å; Y175-E177 WeakPolarHBondContact OH-CG 3.45Å; Y175-E177 PolarHBondContact OH-OE1 2.97Å
178L98.2Very high96.1Very high1 Ų138.3 Ų38.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-129143.3-174.9-56.3177.9000110.3Y103 I104 I105 Y106 I176 A183 I186 L187Y103-L178 HydrophobicContact CD1-CD1 3.92Å; I104-L178 PolarHBondContact O-N 3.15Å; I105-L178 WeakPolarHBondContact CA-O 3.47Å; I105-L178 HydrophobicContact CG1-CB 4.27Å; I105-L178 HydrophobicContact CG1-CD1 4.26Å; Y106-L178 PolarHBondContact N-O 2.71Å; I176-L178 HydrophobicContact CG2-CD1 4.25Å; I176-L178 HydrophobicContact CG2-CD2 3.54Å; I176-L178 HydrophobicContact CG2-CG 3.8Å; L178-A183 HydrophobicContact CB-CB 3.86Å; L178-A183 HydrophobicContact CD1-CB 4.05Å; L178-I186 HydrophobicContact CD1-CG2 4.33Å; L178-I186 HydrophobicContact CD2-CB 4.08Å; L178-I186 HydrophobicContact CD2-CD1 3.55Å; L178-I186 HydrophobicContact CD2-CG1 4.39Å; L178-I186 HydrophobicContact CD2-CG2 3.75Å; L178-L187 HydrophobicContact CD1-CD2 4.08Å; L178-L187 HydrophobicContact CD1-CG 4.18Å
179N97.8Very high96.1Very high4 Ų443.2 Ų43.22%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-85141.2164.3172.8-54.8000109Y106 F111 G113 S114 L181 T182 A183Y106-N179 CarbonylContact O-C 3.01Å; F111-N179 HydrophobicContact CD1-CB 4.33Å; F111-N179 PolarHBondContact O-ND2 3.12Å; G113-N179 VanDerWaalsContact O-CB 3.25Å; G113-N179 WeakPolarHBondContact O-CB 3.25Å; G113-N179 PolarHBondContact O-N 2.81Å; S114-N179 PolarHBondContact OG-N 2.03Å; N179-L181 PolarHBondContact O-N 3.39Å; N179-L181 WeakPolarHBondContact OD1-CB 3.06Å; N179-L181 WeakPolarHBondContact OD1-CG 3.25Å; N179-L181 PolarHBondContact OD1-N 2.84Å; N179-T182 PolarHBondContact O-N 2.02Å; N179-T182 PolarHBondContact O-OG1 2.88Å; N179-T182 VanDerWaalsContact O-OG1 3.09Å; N179-A183 WeakPolarHBondContact O-CB 3.4Å; N179-A183 PolarHBondContact O-N 2.82Å
180S97.9Very high96.2Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-55.8-25.9-178.468.80000115Y106 Y108 Q409Y106-S180 WeakPolarHBondContact O-CB 2.97Å; Y106-S180 PolarHBondContact O-N 3.18Å; Y108-S180 PolarHBondContact N-OG 2.7Å; S180-Q409 PolarHBondContact OG-OE1 2.87Å
181L97.1Very high95.9Very high89 Ų8943.6 Ų43.647%0.46621%0.211SC..Hα-helixtrans-70.6-31.1174.9-67.5165.3000113.3N179N179-L181 PolarHBondContact O-N 3.39Å; N179-L181 WeakPolarHBondContact OD1-CB 3.06Å; N179-L181 WeakPolarHBondContact OD1-CG 3.25Å; N179-L181 PolarHBondContact OD1-N 2.84Å
182T96.3Very high95.6Very high54 Ų5449.8 Ų49.833%0.33124%0.236SC..Hα-helixtrans-108.7-18.6-174.955.80000112.7S114 N179 S184 N185 I186S114-T182 PolarHBondContact OG-OG1 2.87Å; N179-T182 PolarHBondContact O-N 2.02Å; N179-T182 PolarHBondContact O-OG1 2.88Å; N179-T182 VanDerWaalsContact O-OG1 3.09Å; T182-S184 PolarHBondContact O-N 2.95Å; T182-N185 PolarHBondContact O-N 2.69Å; T182-N185 VanDerWaalsContact O-N 3.17Å; T182-I186 PolarHBondContact O-N 3.25Å; T182-I186 VanDerWaalsContact O-N 3.14Å
183A98Very high95.5Very high0 Ų047.9 Ų47.90%022%0.222CC..Hα-helixtrans-54.3-48.8-172.500000113.1I105 L178 N179 N185 I186 L187 I413I105-A183 HydrophobicContact CD1-CB 4.18Å; I105-A183 HydrophobicContact CG1-CB 4.36Å; I105-A183 HydrophobicContact CG2-CB 3.68Å; L178-A183 HydrophobicContact CB-CB 3.86Å; L178-A183 HydrophobicContact CD1-CB 4.05Å; N179-A183 WeakPolarHBondContact O-CB 3.4Å; N179-A183 PolarHBondContact O-N 2.82Å; A183-N185 VanDerWaalsContact C-N 3.31Å; A183-N185 PolarHBondContact O-N 3.22Å; A183-I186 PolarHBondContact O-N 2.72Å; A183-I186 VanDerWaalsContact O-N 3.09Å; A183-L187 WeakPolarHBondContact O-CB 3.42Å; A183-L187 VanDerWaalsContact O-CG 3.28Å; A183-L187 WeakPolarHBondContact O-CG 2.99Å; A183-L187 PolarHBondContact O-N 2.93Å; A183-I413 HydrophobicContact CB-CD1 4.33Å; A183-I413 HydrophobicContact CB-CG1 3.93Å
184S97.4Very high95.3Very high16 Ų1648 Ų4811%0.11222%0.223CC..Hα-helixtrans-56.7-43.2-179.759.50000112.9T182 H188 Q412 S416T182-S184 PolarHBondContact O-N 2.95Å; S184-H188 WeakPolarHBondContact O-CB 3.03Å; S184-H188 PolarHBondContact O-N 2.93Å; S184-H188 VanDerWaalsContact O-N 3.16Å; S184-Q412 WeakPolarHBondContact CB-O 3.32Å; S184-S416 WeakPolarHBondContact O-CB 3.48Å
185N96.4Very high95.1Very high96 Ų9646 Ų4651%0.51321%0.214SC..Hα-helixtrans-67-38.9178-74.9-32.3000112T182 A183 Y189T182-N185 PolarHBondContact O-N 2.69Å; T182-N185 VanDerWaalsContact O-N 3.17Å; A183-N185 VanDerWaalsContact C-N 3.31Å; A183-N185 PolarHBondContact O-N 3.22Å; N185-Y189 HydrophobicContact CB-CD2 4.46Å; N185-Y189 WeakPolarHBondContact O-CA 3.14Å; N185-Y189 WeakPolarHBondContact O-CB 3.31Å; N185-Y189 PolarHBondContact O-N 2.88Å
186I96.1Very high94.7Very high41 Ų4148.2 Ų48.221%0.2123%0.227CC..Hα-helixtrans-70.8-49.3-179.6-68.9168000110.3L178 T182 A183 H188 S190 W193L178-I186 HydrophobicContact CD1-CG2 4.33Å; L178-I186 HydrophobicContact CD2-CB 4.08Å; L178-I186 HydrophobicContact CD2-CD1 3.55Å; L178-I186 HydrophobicContact CD2-CG1 4.39Å; L178-I186 HydrophobicContact CD2-CG2 3.75Å; T182-I186 PolarHBondContact O-N 3.25Å; T182-I186 VanDerWaalsContact O-N 3.14Å; A183-I186 PolarHBondContact O-N 2.72Å; A183-I186 VanDerWaalsContact O-N 3.09Å; I186-H188 PolarHBondContact O-N 2.67Å; I186-S190 WeakPolarHBondContact O-CB 3.45Å; I186-S190 PolarHBondContact O-N 3.4Å; I186-W193 HydrophobicContact CG2-CB 4.37Å
187L96.2Very high93.7Very high0 Ų052.6 Ų52.60%025%0.246CC..Hα-helixtrans-57.2-36.3179.2-68.4175.2000112.2Y103 I105 L178 A183 S194 L195 I413 S416Y103-L187 HydrophobicContact CD1-CD2 3.58Å; Y103-L187 HydrophobicContact CD2-CD2 4.44Å; Y103-L187 HydrophobicContact CE1-CD2 3.77Å; Y103-L187 HydrophobicContact CG-CD2 3.95Å; I105-L187 HydrophobicContact CD1-CD1 3.95Å; L178-L187 HydrophobicContact CD1-CD2 4.08Å; L178-L187 HydrophobicContact CD1-CG 4.18Å; A183-L187 WeakPolarHBondContact O-CB 3.42Å; A183-L187 VanDerWaalsContact O-CG 3.28Å; A183-L187 WeakPolarHBondContact O-CG 2.99Å; A183-L187 PolarHBondContact O-N 2.93Å; L187-S194 CarbonylContact O-C 3.6Å; L187-S194 WeakPolarHBondContact O-CA 3.47Å; L187-S194 WeakPolarHBondContact O-CB 3.42Å; L187-L195 HydrophobicContact CB-CD1 4.21Å; L187-L195 HydrophobicContact CB-CG 4.46Å; L187-L195 HydrophobicContact CD2-CD1 4Å; L187-L195 HydrophobicContact CD2-CD2 4.4Å; L187-L195 HydrophobicContact CD2-CG 3.96Å; L187-L195 HydrophobicContact CG-CD1 4.49Å; L187-L195 PolarHBondContact O-N 3.44Å; L187-I413 HydrophobicContact CD1-CG2 4.09Å; L187-S416 WeakPolarHBondContact CD1-OG 3.37Å
188H93.5Very high92.3Very high73 Ų7351.9 Ų51.934%0.33824%0.244SC..Hα-helixtrans-90.4-49.2-177.2-161.493.9000113.7S184 I186S184-H188 WeakPolarHBondContact O-CB 3.03Å; S184-H188 PolarHBondContact O-N 2.93Å; S184-H188 VanDerWaalsContact O-N 3.16Å; I186-H188 PolarHBondContact O-N 2.67Å
189Y93Very high90.6Very high169 Ų16953.4 Ų53.466%0.66325%0.252SS*.Hα-helixtrans-107.9-12.2-166.4-56.6-70.4000114.5N185 K191N185-Y189 HydrophobicContact CB-CD2 4.46Å; N185-Y189 WeakPolarHBondContact O-CA 3.14Å; N185-Y189 WeakPolarHBondContact O-CB 3.31Å; N185-Y189 PolarHBondContact O-N 2.88Å; Y189-K191 PolarHBondContact O-N 3.03Å; Y189-K191 VanDerWaalsContact O-N 3.15Å
190S93.7Very high88.6Confident25 Ų2560.4 Ų60.418%0.17528%0.282CS..  trans-57.6125.9-177.7177.40000111.1I186 Y192 W193 S194I186-S190 WeakPolarHBondContact O-CB 3.45Å; I186-S190 PolarHBondContact O-N 3.4Å; S190-Y192 PolarHBondContact O-N 3.22Å; S190-Y192 VanDerWaalsContact O-N 3.16Å; S190-Y192 PolarHBondContact OG-N 3.41Å; S190-W193 PolarHBondContact OG-N 3.15Å; S190-S194 WeakPolarHBondContact O-CB 3.31Å; S190-S194 PolarHBondContact O-N 3.36Å; S190-S194 PolarHBondContact O-OG 3.48Å
191K89.9Confident86.6Confident132 Ų13266.8 Ų66.857%0.57431%0.31SS*.THydrogen-bonded Turntrans-62.2-22.4177.7-176.4-178.8173.9-164.80112Y189 K197Y189-K191 PolarHBondContact O-N 3.03Å; Y189-K191 VanDerWaalsContact O-N 3.15Å; K191-K197 WeakPolarHBondContact O-CD 3.3Å; K191-K197 WeakPolarHBondContact O-CE 3.29Å; K191-K197 PolarHBondContact O-NZ 2.9Å
192Y88.8Confident84.4Confident148 Ų14868.1 Ų68.158%0.5832%0.317SS*.THydrogen-bonded Turntrans-118.2-30.6-175.1-61.3-79.1000112.8S190S190-Y192 PolarHBondContact O-N 3.22Å; S190-Y192 VanDerWaalsContact O-N 3.16Å; S190-Y192 PolarHBondContact OG-N 3.41Å
193W91.9Very high82Confident61 Ų6168.8 Ų68.823%0.23134%0.335CS..THydrogen-bonded Turntrans-123.620.9-167.9-50114.6000112.8Y103 A116 H174 I176 I186 S190Y103-W193 WeakPolarHBondContact CE1-O 3.48Å; Y103-W193 PolarHBondContact OH-O 3.02Å; A116-W193 HydrophobicContact CB-CD2 3.75Å; A116-W193 HydrophobicContact CB-CE3 4.45Å; A116-W193 HydrophobicContact CB-CG 3.93Å; A116-W193 HydrophobicContact CB-CZ2 3.82Å; A116-W193 VanDerWaalsContact CB-NE1 3.34Å; H174-W193 HydrophobicContact CB-CZ3 3.99Å; H174-W193 AromaticContact CG-CZ3 3.85Å; H174-W193 AromaticContact ND1-CZ3 3.82Å; I176-W193 HydrophobicContact CD1-CE3 4.04Å; I176-W193 HydrophobicContact CD1-CZ3 4.35Å; I176-W193 HydrophobicContact CG1-CD2 4.29Å; I176-W193 HydrophobicContact CG1-CE3 3.91Å; I176-W193 HydrophobicContact CG1-CZ3 4.43Å; I186-W193 HydrophobicContact CG2-CB 4.37Å; S190-W193 PolarHBondContact OG-N 3.15Å
194S93.6Very high79.3Confident7 Ų775.1 Ų75.15%0.04937%0.374CS..  trans-79.7147.2170.951.30000110.8L187 S190 N196 K197 T198L187-S194 CarbonylContact O-C 3.6Å; L187-S194 WeakPolarHBondContact O-CA 3.47Å; L187-S194 WeakPolarHBondContact O-CB 3.42Å; S190-S194 WeakPolarHBondContact O-CB 3.31Å; S190-S194 PolarHBondContact O-N 3.36Å; S190-S194 PolarHBondContact O-OG 3.48Å; S194-N196 PolarHBondContact O-N 3.3Å; S194-K197 PolarHBondContact O-N 3.16Å; S194-T198 PolarHBondContact O-N 3.02Å
195L91.7Very high76.8Confident0 Ų078.8 Ų78.80%040%0.4CS..Hα-helixtrans-60.8-29179.2-71170.9000112.5V48 I50 Y103 L187 K197 T198 L199 I417 P418V48-L195 HydrophobicContact CG1-CD2 3.87Å; I50-L195 HydrophobicContact CD1-CD1 3.73Å; I50-L195 HydrophobicContact CD1-CD2 4.25Å; Y103-L195 HydrophobicContact CD2-CD2 4.12Å; Y103-L195 HydrophobicContact CE2-CD2 3.54Å; L187-L195 HydrophobicContact CB-CD1 4.21Å; L187-L195 HydrophobicContact CB-CG 4.46Å; L187-L195 HydrophobicContact CD2-CD1 4Å; L187-L195 HydrophobicContact CD2-CD2 4.4Å; L187-L195 HydrophobicContact CD2-CG 3.96Å; L187-L195 HydrophobicContact CG-CD1 4.49Å; L187-L195 PolarHBondContact O-N 3.44Å; L195-K197 VanDerWaalsContact C-N 3.29Å; L195-K197 PolarHBondContact O-N 3.43Å; L195-T198 VanDerWaalsContact C-OG1 3.28Å; L195-T198 VanDerWaalsContact CA-OG1 3.29Å; L195-T198 WeakPolarHBondContact CA-OG1 3.24Å; L195-T198 PolarHBondContact O-OG1 3.02Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-I417 HydrophobicContact CD1-CB 4.44Å; L195-I417 HydrophobicContact CD1-CG1 4.29Å; L195-I417 HydrophobicContact CD1-CG2 4.25Å; L195-P418 HydrophobicContact CB-CG 3.56Å; L195-P418 HydrophobicContact CD1-CG 4.48Å
196N86.3Confident74Confident61 Ų6179.3 Ų79.333%0.32641%0.411SS..Hα-helixtrans-63.9-31.9175-77.6-38.3000113S194 L199 F200 P418S194-N196 PolarHBondContact O-N 3.3Å; N196-L199 WeakPolarHBondContact O-CB 3.05Å; N196-L199 WeakPolarHBondContact O-CG 3.39Å; N196-F200 VanDerWaalsContact O-CD2 3.23Å; N196-F200 WeakPolarHBondContact O-CD2 3.4Å; N196-F200 WeakPolarHBondContact O-CE2 3.08Å; N196-P418 WeakPolarHBondContact OD1-CB 3.39Å; N196-P418 WeakPolarHBondContact OD1-CG 3.48Å
197K77.4Confident71.3Confident94 Ų9486.5 Ų86.541%0.40944%0.441SS..Hα-helixtrans-84-30.7-178.2-76.1-151.1-178.3-170.90113.7K191 S194 L195 L199 F200K191-K197 WeakPolarHBondContact O-CD 3.3Å; K191-K197 WeakPolarHBondContact O-CE 3.29Å; K191-K197 PolarHBondContact O-NZ 2.9Å; S194-K197 PolarHBondContact O-N 3.16Å; L195-K197 VanDerWaalsContact C-N 3.29Å; L195-K197 PolarHBondContact O-N 3.43Å; K197-L199 PolarHBondContact O-N 3.39Å; K197-L199 VanDerWaalsContact O-N 3.1Å; K197-F200 PolarHBondContact O-N 2.94Å; K197-F200 VanDerWaalsContact O-N 3.11Å
198T66.5Low68.7Low19 Ų1996 Ų9612%0.11749%0.485CS..Hα-helixtrans-56.7-21.7170.527.50000112.2T101 S194 L195T101-T198 HydrophobicContact CG2-CG2 4.34Å; S194-T198 PolarHBondContact O-N 3.02Å; L195-T198 VanDerWaalsContact C-OG1 3.28Å; L195-T198 VanDerWaalsContact CA-OG1 3.29Å; L195-T198 WeakPolarHBondContact CA-OG1 3.24Å; L195-T198 PolarHBondContact O-OG1 3.02Å
199L62.2Low66.3Low32 Ų3296.8 Ų96.817%0.16850%0.498CS..THydrogen-bonded Turntrans-70-34.5176.2-46.7-175.7000113.9L195 N196 K197 H229 Y419L195-L199 WeakPolarHBondContact O-CG 3.49Å; N196-L199 WeakPolarHBondContact O-CB 3.05Å; N196-L199 WeakPolarHBondContact O-CG 3.39Å; K197-L199 PolarHBondContact O-N 3.39Å; K197-L199 VanDerWaalsContact O-N 3.1Å; L199-H229 HydrophobicContact CD1-CB 4.13Å; L199-H229 HydrophobicContact CD2-CB 3.2Å; L199-H229 HydrophobicContact CG-CB 4.11Å; L199-Y419 HydrophobicContact CD1-CD1 4.28Å; L199-Y419 HydrophobicContact CD1-CE1 4.23Å; L199-Y419 HydrophobicContact CD2-CD1 4.24Å; L199-Y419 HydrophobicContact CD2-CE1 3.45Å; L199-Y419 VanDerWaalsContact CD2-CE1 3.45Å; L199-Y419 HydrophobicContact CG-CE1 4.34Å
200F56.6Low63.9Low151 Ų15196.5 Ų96.566%0.66251%0.508SS*.THydrogen-bonded Turntrans-97.8-12.8-164.9-69.4-74.6000115.4N196 K197 N202 G203N196-F200 VanDerWaalsContact O-CD2 3.23Å; N196-F200 WeakPolarHBondContact O-CD2 3.4Å; N196-F200 WeakPolarHBondContact O-CE2 3.08Å; K197-F200 PolarHBondContact O-N 2.94Å; K197-F200 VanDerWaalsContact O-N 3.11Å; F200-N202 VanDerWaalsContact C-N 3.29Å; F200-N202 PolarHBondContact O-N 2.92Å; F200-G203 PolarHBondContact O-N 3.1Å
201K55.6Low61.6Low135 Ų135105.3 Ų105.359%0.58754%0.544SS*.G310 helixtrans-68-20.6-172.4-86.7-174.1175.8178.50114.9G203K201-G203 VanDerWaalsContact C-N 3.3Å; K201-G203 PolarHBondContact O-N 2.79Å
202N52Low59.4Low116 Ų116108 Ų10862%0.6256%0.558SS**G310 helixtrans-83.41.5-179.7-74.3-8.5000114.5F200F200-N202 VanDerWaalsContact C-N 3.29Å; F200-N202 PolarHBondContact O-N 2.92Å
203G45.1Very low57.5Low68 Ų68106.1 Ų106.170%0.70156%0.564SS**G310 helixtrans-94.3-11.2-172.700000117.5F200 K201F200-G203 PolarHBondContact O-N 3.1Å; K201-G203 VanDerWaalsContact C-N 3.3Å; K201-G203 PolarHBondContact O-N 2.79Å
204T41.9Very low55.3Low133 Ų133110.2 Ų110.282%0.81659%0.591SS**  trans-115.49.7-167.852.10000116.4S206T204-S206 PolarHBondContact O-N 2.98Å
205S44.5Very low53.2Low94 Ų94119 Ų11966%0.65763%0.631SS**SBendtrans-9185.9167.462.80000111.1
206S38Very low51.4Low107 Ų107127.2 Ų127.275%0.74867%0.669SS**  trans43.480.2145.4660000118.7T204T204-S206 PolarHBondContact O-N 2.98Å
207F39.5Very low49.8Very low192 Ų192133.4 Ų133.484%0.84270%0.695SS**  trans-103.379150-97.9-87.6000109.6S209F207-S209 VanDerWaalsContact C-N 3.32Å; F207-S209 PolarHBondContact O-N 2.81Å
208H41.6Very low48.8Very low200 Ų200136.3 Ų136.393%0.92671%0.71SS**  trans-79.886.9152-93.9-42.3000107.3
209S42.3Very low48.3Very low88 Ų88141.6 Ų141.662%0.61574%0.744SS**  trans-126.3106.616563.50000109.9F207F207-S209 VanDerWaalsContact C-N 3.32Å; F207-S209 PolarHBondContact O-N 2.81Å
210N43.3Very low47.7Very low163 Ų163146.7 Ų146.787%0.87277%0.767SS**  trans-16.3131.4167-74.1-34.6000117Q212N210-Q212 PolarHBondContact O-N 2.88Å
211K43.8Very low47.2Very low211 Ų211144.3 Ų144.392%0.91777%0.766SS**  trans-41.8119.5156.7-68.4172.9174.2177.30110.6
212Q45.7Very low46.8Very low189 Ų189143.2 Ų143.288%0.88377%0.773SS**  trans-128.1139.6147.4-100-170.8-25.400109.9N210N210-Q212 PolarHBondContact O-N 2.88Å
213P48Very low46.6Very low108 Ų108144.7 Ų144.770%0.70178%0.776SS**  trans-98149.5-166.528.7-14.6000113.2
214N45Very low47.1Very low147 Ų147148.5 Ų148.579%0.78678%0.775SS**  trans54.2101.8146.6-63.6-14.3000118.5
215H50.9Low47.6Very low192 Ų192150.6 Ų150.689%0.88978%0.775SS**  trans-146.8155.8141.6-94.4-57.4000112.5
216H53.2Low48.2Very low172 Ų172150.8 Ų150.880%0.79677%0.766SS**  trans-59.6146.4-150.7-75.6-72.3000118.8H218H216-H218 PolarHBondContact O-N 3.24Å
217H51.7Low49.3Very low190 Ų190148.7 Ų148.788%0.8875%0.75SS**  trans-58.6115175.3-69-58.3000114
218H56.7Low51.2Low156 Ų156147.9 Ų147.972%0.72275%0.748SS**  trans-104.8139.3147.2-81.3-69.2000108.9H216 H220H216-H218 PolarHBondContact O-N 3.24Å; H218-H220 PolarHBondContact O-N 2.75Å
219P56.4Low53.4Low129 Ų129139.6 Ų139.684%0.83871%0.71SS**  trans-71.997.7179.528.7-30.8000108.8
220H49.2Very low55.7Low140 Ų140135.8 Ų135.865%0.64868%0.683SS**  trans-67.8140.1170.4-77.7-78.1000109.8H218H218-H220 PolarHBondContact O-N 2.75Å
221P45.9Very low58.1Low100 Ų100128 Ų12865%0.64964%0.641SS**  trans-56.5152.6174.824.4-31.9000109.9H223P221-H223 PolarHBondContact O-N 3.19Å
222P48.9Very low60.6Low113 Ų113118 Ų11873%0.73460%0.597SS**  trans-51.6107.5-170.421.1-32.9000109.5H224P222-H224 VanDerWaalsContact C-N 3.34Å; P222-H224 PolarHBondContact O-N 2.79Å
223H46.4Very low63.1Low146 Ų146109 Ų10968%0.67656%0.556SS**  trans-59.4105.3170.4-79.8-75.5000105.7P221 H225P221-H223 PolarHBondContact O-N 3.19Å; H223-H225 VanDerWaalsContact C-N 3.25Å; H223-H225 PolarHBondContact O-N 2.93Å
224H55.1Low65.5Low148 Ų148103.9 Ų103.969%0.68552%0.522SS*.  trans-54.2101.9163.4-74-73.5000105.4P222 H226P222-H224 VanDerWaalsContact C-N 3.34Å; P222-H224 PolarHBondContact O-N 2.79Å; H224-H226 PolarHBondContact O-CD2 3.39Å; H224-H226 PolarHBondContact O-N 3.49Å
225H54.1Low68.1Low177 Ų17796.9 Ų96.982%0.81949%0.485SS*.  trans-6289.7170.3-89.5-64.8000105.5H223 P227H223-H225 VanDerWaalsContact C-N 3.25Å; H223-H225 PolarHBondContact O-N 2.93Å; H225-P227 WeakPolarHBondContact O-CD 3.02Å; H225-P227 VanDerWaalsContact O-N 3.09Å
226H57.3Low70.4Confident98 Ų9887.7 Ų87.745%0.45444%0.442SS..  trans-57.5120.3172.3-73.7-79.7000105.6H224H224-H226 PolarHBondContact O-CD2 3.39Å; H224-H226 PolarHBondContact O-N 3.49Å
227P60.9Low72.5Confident64 Ų6479.5 Ų79.542%0.41640%0.404SS..  trans-53.8152.3-179.121.9-34.2000110.1H225 H229H225-P227 WeakPolarHBondContact O-CD 3.02Å; H225-P227 VanDerWaalsContact O-N 3.09Å; P227-H229 VanDerWaalsContact CB-CD2 3.44Å; P227-H229 WeakPolarHBondContact CB-CD2 3.44Å; P227-H229 VanDerWaalsContact CG-CD2 3.46Å; P227-H229 WeakPolarHBondContact CG-CD2 3.39Å; P227-H229 WeakPolarHBondContact CG-NE2 3.33Å; P227-H229 PolarHBondContact O-N 3.06Å
228H79Confident74.7Confident174 Ų17470.5 Ų70.581%0.80636%0.363SS*.SBendtrans-64.117.7-174.8-70.8-79.4000114.8
229H86.7Confident76.6Confident26 Ų2663 Ų6312%0.1233%0.328CS..SBendtrans-102.7161.6179.162.179000113.3L199 P227 Y419L199-H229 HydrophobicContact CD1-CB 4.13Å; L199-H229 HydrophobicContact CD2-CB 3.2Å; L199-H229 HydrophobicContact CG-CB 4.11Å; P227-H229 VanDerWaalsContact CB-CD2 3.44Å; P227-H229 WeakPolarHBondContact CB-CD2 3.44Å; P227-H229 VanDerWaalsContact CG-CD2 3.46Å; P227-H229 WeakPolarHBondContact CG-CD2 3.39Å; P227-H229 WeakPolarHBondContact CG-NE2 3.33Å; P227-H229 PolarHBondContact O-N 3.06Å; H229-Y419 HydrophobicContact CB-CD2 4.43Å; H229-Y419 HydrophobicContact CB-CE1 4.36Å; H229-Y419 HydrophobicContact CB-CE2 4.12Å; H229-Y419 AromaticContact CD2-CD2 3.9Å; H229-Y419 AromaticContact CE1-CD2 3.68Å; H229-Y419 AromaticContact CE1-CE2 3.95Å; H229-Y419 AromaticContact CG-CD2 3.87Å; H229-Y419 AromaticContact CG-CE2 3.86Å; H229-Y419 AromaticContact ND1-CD2 3.72Å; H229-Y419 AromaticContact ND1-CE2 3.57Å; H229-Y419 AromaticContact NE2-CD2 3.81Å
230L91.9Very high78.6Confident8 Ų856.9 Ų56.94%0.04229%0.288CS..PPolyproline II helixtrans-79.3159.5169.9-66.1169.3000109.9K45 V48 Q100 L232K45-L230 HydrophobicContact CD-CD2 4.47Å; V48-L230 HydrophobicContact CG2-CB 4.26Å; V48-L230 HydrophobicContact CG2-CD1 4.14Å; Q100-L230 VanDerWaalsContact CD-CD1 3.43Å; Q100-L230 HydrophobicContact CG-CD1 4.41Å; L230-L232 PolarHBondContact O-N 2.96Å
231P94.2Very high80.9Confident0 Ų050.2 Ų50.20%026%0.257CS..PPolyproline II helixtrans-59.2135.1169.918.6-23.1000109.7F42 K45 A47 V48 N422F42-P231 HydrophobicContact CB-CB 4.12Å; F42-P231 HydrophobicContact CB-CG 3.81Å; F42-P231 HydrophobicContact CD1-CB 4.42Å; F42-P231 HydrophobicContact CD2-CB 3.89Å; F42-P231 HydrophobicContact CG-CB 3.87Å; F42-P231 HydrophobicContact CG-CG 4.05Å; K45-P231 HydrophobicContact CB-CG 4.27Å; K45-P231 WeakPolarHBondContact O-CG 3.41Å; A47-P231 CarbonylContact C-O 3.22Å; A47-P231 VanDerWaalsContact CA-O 3.23Å; A47-P231 WeakPolarHBondContact CA-O 3.34Å; A47-P231 HydrophobicContact CB-CB 4.16Å; A47-P231 HydrophobicContact CB-CG 3.96Å; A47-P231 WeakPolarHBondContact CB-O 3.38Å; V48-P231 PolarHBondContact N-O 3.35Å; P231-N422 WeakPolarHBondContact CA-OD1 3.45Å
232L95.8Very high83.4Confident0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-112.4123.6176.5176.565.9000109.5V48 I50 L230 I417 Y419 P421 N422V48-L232 HydrophobicContact CB-CD1 4.03Å; V48-L232 HydrophobicContact CG1-CD1 3.96Å; V48-L232 WeakPolarHBondContact O-CA 3.1Å; I50-L232 HydrophobicContact CD1-CD1 3.84Å; I50-L232 HydrophobicContact CG1-CD1 3.98Å; L230-L232 PolarHBondContact O-N 2.96Å; L232-I417 HydrophobicContact CD2-CG2 3.4Å; L232-Y419 HydrophobicContact CB-CD2 4.34Å; L232-Y419 HydrophobicContact CB-CE2 3.41Å; L232-Y419 VanDerWaalsContact CB-CE2 3.41Å; L232-Y419 HydrophobicContact CD2-CD2 4.26Å; L232-Y419 HydrophobicContact CD2-CE2 3.82Å; L232-Y419 HydrophobicContact CG-CE2 4.23Å; L232-P421 HydrophobicContact CD2-CB 4.39Å; L232-P421 HydrophobicContact CD2-CG 4.17Å; L232-P421 HydrophobicContact CG-CB 4.4Å; L232-N422 PolarHBondContact N-OD1 2.78Å; L232-N422 PolarHBondContact O-N 2.68Å
233I98Very high85.6Confident1 Ų140.1 Ų40.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-105.6127.4173.9-61168000106.7W35 A47 V48 L49 I50 I423W35-I233 HydrophobicContact CB-CD1 3.77Å; W35-I233 HydrophobicContact CD2-CD1 4.2Å; W35-I233 HydrophobicContact CD2-CG2 4.04Å; W35-I233 HydrophobicContact CG-CD1 3.84Å; W35-I233 HydrophobicContact CG-CG2 3.93Å; W35-I233 HydrophobicContact CZ2-CG2 4.28Å; W35-I233 VanDerWaalsContact NE1-CG2 3.31Å; A47-I233 HydrophobicContact CB-CD1 3.52Å; A47-I233 HydrophobicContact CB-CG1 3.94Å; V48-I233 PolarHBondContact O-N 2.87Å; L49-I233 HydrophobicContact CD1-CB 3.93Å; L49-I233 HydrophobicContact CD1-CG2 3.52Å; I50-I233 PolarHBondContact N-O 3.19Å; I233-I423 HydrophobicContact CB-CG2 4.23Å; I233-I423 HydrophobicContact CG1-CG2 3.94Å; I233-I423 HydrophobicContact CG2-CG2 3.95Å
234L98.6Very high87.8Confident0 Ų033.7 Ų33.70%016%0.162CC..EExtended strand (participates in β ladder)trans-109.9111.4169.9173.564.1000107.7I50 I52 I236 L414 I417 P421 I423 I424 T425 F455I50-L234 HydrophobicContact CB-CD1 4.1Å; I50-L234 HydrophobicContact CG2-CD1 3.95Å; I52-L234 HydrophobicContact CD1-CD1 3.96Å; I52-L234 HydrophobicContact CG1-CD1 4.46Å; L234-I236 HydrophobicContact CD1-CG1 4.2Å; L234-I236 HydrophobicContact CD2-CD1 4.12Å; L234-I236 HydrophobicContact CG-CD1 4.03Å; L234-I236 HydrophobicContact CG-CG1 4.09Å; L234-L414 HydrophobicContact CD1-CD2 4.11Å; L234-L414 HydrophobicContact CD2-CD2 3.59Å; L234-L414 HydrophobicContact CG-CD2 4.5Å; L234-I417 HydrophobicContact CD1-CD1 4.41Å; L234-I417 HydrophobicContact CD2-CD1 4.41Å; L234-P421 HydrophobicContact CB-CB 4.13Å; L234-P421 HydrophobicContact CB-CG 4.12Å; L234-P421 HydrophobicContact CD2-CG 4.27Å; L234-I423 PolarHBondContact N-O 2.94Å; L234-I423 VanDerWaalsContact N-O 3.1Å; L234-I424 HydrophobicContact CB-CG1 4.2Å; L234-I424 HydrophobicContact CD2-CD1 4.05Å; L234-I424 HydrophobicContact CD2-CG1 4.07Å; L234-I424 HydrophobicContact CD2-CG2 4.31Å; L234-I424 HydrophobicContact CG-CG2 4.43Å; L234-I424 CarbonylContact O-C 3.54Å; L234-I424 VanDerWaalsContact O-CA 3.24Å; L234-I424 WeakPolarHBondContact O-CA 3.39Å; L234-T425 PolarHBondContact O-N 2.92Å; L234-F455 HydrophobicContact CD2-CE2 3.92Å; L234-F455 HydrophobicContact CD2-CZ 4.18Å
235D98.8Very high89.6Confident0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-110.8136.7176.6-167.340.2000109.9W35 L49 I50 H51 I52 T425W35-D235 HydrophobicContact CZ2-CB 3.69Å; W35-D235 WeakPolarHBondContact CZ2-OD2 3.43Å; L49-D235 HydrophobicContact CD1-CB 3.92Å; I50-D235 PolarHBondContact O-N 3.49Å; H51-D235 WeakPolarHBondContact CA-O 3.29Å; H51-D235 IonicContact CE1-OD2 2.73Å; H51-D235 PolarHBondContact CE1-OD2 3.46Å; H51-D235 IonicContact ND1-OD2 3.18Å; H51-D235 PolarHBondContact ND1-OD2 3.39Å; I52-D235 PolarHBondContact N-O 3.02Å; D235-T425 VanDerWaalsContact OD1-CB 3.31Å; D235-T425 WeakPolarHBondContact OD1-CB 3.15Å; D235-T425 PolarHBondContact OD1-OG1 3.39Å
236I98.8Very high91.5Very high0 Ų018.7 Ų18.70%09%0.093CC..EExtended strand (participates in β ladder)trans-137.2116.3-170.4-57.3160.3000108.3I52 L234 F410 I424 T425 I426 S427 I447 I451I52-I236 HydrophobicContact CD1-CG1 4.42Å; L234-I236 HydrophobicContact CD1-CG1 4.2Å; L234-I236 HydrophobicContact CD2-CD1 4.12Å; L234-I236 HydrophobicContact CG-CD1 4.03Å; L234-I236 HydrophobicContact CG-CG1 4.09Å; I236-F410 HydrophobicContact CD1-CE2 4.11Å; I236-F410 HydrophobicContact CD1-CZ 3.82Å; I236-F410 HydrophobicContact CG1-CE2 4.23Å; I236-F410 HydrophobicContact CG1-CZ 4.43Å; I236-F410 HydrophobicContact CG2-CE2 4.04Å; I236-F410 HydrophobicContact CG2-CZ 4.35Å; I236-I424 HydrophobicContact CD1-CG2 4.01Å; I236-T425 PolarHBondContact N-O 3.21Å; I236-I426 HydrophobicContact CB-CG1 4.41Å; I236-I426 HydrophobicContact CD1-CG1 4.35Å; I236-I426 CarbonylContact O-C 3.57Å; I236-I426 WeakPolarHBondContact O-CA 3.44Å; I236-S427 PolarHBondContact O-N 2.97Å; I236-I447 HydrophobicContact CD1-CG2 4.45Å; I236-I447 HydrophobicContact CG2-CD1 4.31Å; I236-I447 HydrophobicContact CG2-CG2 4.42Å; I236-I451 HydrophobicContact CD1-CD1 3.44Å; I236-I451 VanDerWaalsContact CD1-CD1 3.44Å; I236-I451 HydrophobicContact CD1-CG1 4.46Å
237D98.2Very high93.2Very high0 Ų014.1 Ų14.10%07%0.072CC..EExtended strand (participates in β ladder)trans-85.6135.6162-165.7-10.7000110H28 I52 D53 D239 F240 S429H28-D237 VanDerWaalsContact CE1-CG 3.41Å; H28-D237 IonicContact CE1-OD2 3.78Å; H28-D237 PolarHBondContact CE1-OD2 3.11Å; H28-D237 IonicContact NE2-OD2 3.33Å; H28-D237 PolarHBondContact NE2-OD2 3.1Å; I52-D237 PolarHBondContact O-N 3.42Å; D53-D237 HydrophobicContact CB-CB 4.25Å; D237-D239 VanDerWaalsContact CG-OD1 3.29Å; D237-D239 PolarHBondContact O-N 3.14Å; D237-D239 PolarHBondContact OD1-N 2.96Å; D237-F240 WeakPolarHBondContact O-CB 3.48Å; D237-F240 PolarHBondContact O-N 3.07Å; D237-S429 VanDerWaalsContact CG-OG 3.24Å; D237-S429 WeakPolarHBondContact OD1-CB 3.49Å; D237-S429 PolarHBondContact OD1-OG 2.83Å; D237-S429 PolarHBondContact OD2-OG 3.35Å
238E98.2Very high94.7Very high0 Ų012.6 Ų12.60%06%0.06CC..G310 helixtrans-60.3-26.8169.5-73.2-172-175.200112.7F240 F241 I426 S427 T435 Q440 I443 E444 I447E238-F240 PolarHBondContact O-N 2.9Å; E238-F241 WeakPolarHBondContact O-CB 3.28Å; E238-F241 PolarHBondContact O-N 3.27Å; E238-I426 HydrophobicContact CG-CG2 4.11Å; E238-S427 WeakPolarHBondContact CG-O 3.48Å; E238-S427 PolarHBondContact N-O 3.47Å; E238-S427 VanDerWaalsContact N-O 3.08Å; E238-T435 HydrophobicContact CB-CG2 4.05Å; E238-Q440 WeakPolarHBondContact OE2-CG 3.42Å; E238-I443 HydrophobicContact CB-CG2 3.93Å; E238-I443 HydrophobicContact CG-CG2 4.05Å; E238-E444 WeakPolarHBondContact OE1-CB 3.37Å; E238-E444 WeakPolarHBondContact OE1-CG 3Å; E238-I447 HydrophobicContact CG-CD1 3.87Å
239D96.5Very high95.4Very high0 Ų06.5 Ų6.50%04%0.035CC..G310 helixtrans-66.6-16.7-178.195.5-24.4000114A54 H55 W109 D237 F241 G242 V243A54-D239 WeakPolarHBondContact CB-OD1 3.25Å; A54-D239 WeakPolarHBondContact CB-OD2 2.94Å; A54-D239 PolarHBondContact N-OD1 2.73Å; H55-D239 IonicContact CD2-OD2 3.04Å; H55-D239 IonicContact NE2-OD2 3.76Å; W109-D239 WeakPolarHBondContact CZ2-O 3.29Å; D237-D239 VanDerWaalsContact CG-OD1 3.29Å; D237-D239 PolarHBondContact O-N 3.14Å; D237-D239 PolarHBondContact OD1-N 2.96Å; D239-F241 PolarHBondContact O-N 3.27Å; D239-G242 WeakPolarHBondContact CA-O 3.48Å; D239-G242 CarbonylContact O-C 3.52Å; D239-G242 VanDerWaalsContact O-C 3.26Å; D239-G242 WeakPolarHBondContact O-CA 3.45Å; D239-G242 PolarHBondContact O-N 3.45Å; D239-G242 VanDerWaalsContact O-O 3.06Å; D239-V243 HydrophobicContact CB-CG2 4.02Å
240F98Very high95.8Very high0 Ų05.4 Ų5.40%03%0.03CC..G310 helixtrans-51-32.1167.9175.4-89.6000111.5I52 P107 W109 D237 E238 L406 F410I52-F240 HydrophobicContact CG2-CB 4.14Å; I52-F240 HydrophobicContact CG2-CD1 4.17Å; I52-F240 HydrophobicContact CG2-CD2 3.31Å; I52-F240 HydrophobicContact CG2-CE1 4.45Å; I52-F240 HydrophobicContact CG2-CE2 3.64Å; I52-F240 HydrophobicContact CG2-CG 3.61Å; I52-F240 HydrophobicContact CG2-CZ 4.21Å; P107-F240 VanDerWaalsContact CA-CE2 3.5Å; P107-F240 HydrophobicContact CB-CD2 3.79Å; P107-F240 HydrophobicContact CB-CE1 4.43Å; P107-F240 HydrophobicContact CB-CE2 3.67Å; P107-F240 HydrophobicContact CB-CG 4.23Å; P107-F240 HydrophobicContact CB-CZ 4.01Å; P107-F240 WeakPolarHBondContact CB-O 3.47Å; P107-F240 HydrophobicContact CG-CD2 4.06Å; P107-F240 HydrophobicContact CG-CE2 4.36Å; P107-F240 VanDerWaalsContact N-CE2 3.34Å; W109-F240 PolarHBondContact NE1-O 3.41Å; D237-F240 WeakPolarHBondContact O-CB 3.48Å; D237-F240 PolarHBondContact O-N 3.07Å; E238-F240 PolarHBondContact O-N 2.9Å; F240-L406 HydrophobicContact CE1-CB 4.41Å; F240-L406 HydrophobicContact CE1-CD2 4.02Å; F240-L406 HydrophobicContact CZ-CD2 4.4Å; F240-F410 HydrophobicContact CE1-CB 4.37Å
241F98.2Very high96Very high0 Ų08.1 Ų8.10%04%0.042CC..G310 helixtrans-82.2-20.1179.3-67.9-85.5000113.4E238 D239 P398 L403 L406 F410 I443 M446 I447E238-F241 WeakPolarHBondContact O-CB 3.28Å; E238-F241 PolarHBondContact O-N 3.27Å; D239-F241 PolarHBondContact O-N 3.27Å; F241-P398 WeakPolarHBondContact O-CB 3.45Å; F241-P398 VanDerWaalsContact O-CG 3.28Å; F241-P398 WeakPolarHBondContact O-CG 3.47Å; F241-L403 HydrophobicContact CB-CD2 4.06Å; F241-L403 HydrophobicContact CD1-CD2 4.43Å; F241-L406 HydrophobicContact CD1-CB 3.7Å; F241-L406 HydrophobicContact CE1-CB 3.89Å; F241-L406 WeakPolarHBondContact O-CD1 3.5Å; F241-F410 HydrophobicContact CE1-CB 4.49Å; F241-F410 HydrophobicContact CZ-CB 4.01Å; F241-F410 HydrophobicContact CZ-CD1 4.19Å; F241-F410 HydrophobicContact CZ-CD2 4.23Å; F241-F410 AromaticContact CZ-CG 3.89Å; F241-F410 HydrophobicContact CZ-CG 3.89Å; F241-I443 HydrophobicContact CB-CD1 3.97Å; F241-I443 HydrophobicContact CB-CG1 4.04Å; F241-I443 HydrophobicContact CB-CG2 3.9Å; F241-I443 HydrophobicContact CD2-CG2 3.68Å; F241-I443 HydrophobicContact CE2-CG2 4.49Å; F241-I443 HydrophobicContact CG-CG2 3.91Å; F241-M446 HydrophobicContact CD1-CE 3.35Å; F241-M446 HydrophobicContact CE1-CE 3.32Å; F241-M446 HydrophobicContact CG-CE 4.1Å; F241-M446 HydrophobicContact CZ-CE 4.06Å; F241-I447 HydrophobicContact CD2-CD1 3.88Å; F241-I447 HydrophobicContact CD2-CG1 4.19Å; F241-I447 HydrophobicContact CE2-CD1 3.52Å; F241-I447 HydrophobicContact CE2-CG1 3.45Å; F241-I447 VanDerWaalsContact CE2-CG1 3.45Å; F241-I447 HydrophobicContact CZ-CD1 4.46Å; F241-I447 HydrophobicContact CZ-CG1 3.91Å
242G96.8Very high96Very high0 Ų015.2 Ų15.20%07%0.073CC..  trans162.1166.8167.700000112.7D239 Y396 P436D239-G242 WeakPolarHBondContact CA-O 3.48Å; D239-G242 CarbonylContact O-C 3.52Å; D239-G242 VanDerWaalsContact O-C 3.26Å; D239-G242 WeakPolarHBondContact O-CA 3.45Å; D239-G242 PolarHBondContact O-N 3.45Å; D239-G242 VanDerWaalsContact O-O 3.06Å; G242-Y396 CarbonylContact C-O 3.59Å; G242-Y396 WeakPolarHBondContact CA-O 3.39Å; G242-P436 WeakPolarHBondContact O-CD 3.17Å
243V95.8Very high96.1Very high0 Ų016.5 Ų16.50%08%0.082CC..BIsolated β-bridgetrans-127.4133.1-175.91720000110.7A54 W109 D239 I393 Y396 Y434A54-V243 HydrophobicContact CB-CG2 4.14Å; W109-V243 HydrophobicContact CH2-CB 4.28Å; W109-V243 HydrophobicContact CH2-CG2 3.76Å; D239-V243 HydrophobicContact CB-CG2 4.02Å; V243-I393 HydrophobicContact CB-CG2 4.47Å; V243-I393 HydrophobicContact CG1-CG2 3.86Å; V243-I393 HydrophobicContact CG2-CD1 4.05Å; V243-I393 HydrophobicContact CG2-CG2 4.25Å; V243-Y396 PolarHBondContact N-O 3.32Å; V243-Y396 CarbonylContact O-C 3.19Å; V243-Y396 PolarHBondContact O-N 2.93Å; V243-Y396 VanDerWaalsContact O-O 3.11Å; V243-Y434 CarbonylContact C-O 3.57Å; V243-Y434 VanDerWaalsContact CA-O 3.24Å; V243-Y434 WeakPolarHBondContact CA-O 3.46Å; V243-Y434 HydrophobicContact CG1-CD1 4.04Å; V243-Y434 HydrophobicContact CG2-CD1 4.13Å
244H93.3Very high96Very high11 Ų1119.3 Ų19.35%0.05111%0.11CC..  trans-119.6116.9177.2173.1-138.6000110.7V246 T249 E395 L397 Y434 P436 W438H244-V246 PolarHBondContact O-N 3.18Å; H244-V246 VanDerWaalsContact O-N 3.13Å; H244-T249 PolarHBondContact CE1-OG1 3.38Å; H244-T249 PolarHBondContact NE2-OG1 3.39Å; H244-E395 IonicContact CD2-OE1 3.84Å; H244-E395 PolarHBondContact CD2-OE1 3.41Å; H244-L397 HydrophobicContact CB-CD2 3.81Å; H244-Y434 PolarHBondContact N-O 3.46Å; H244-P436 HydrophobicContact CB-CB 3.91Å; H244-P436 HydrophobicContact CB-CG 3.93Å; H244-W438 HydrophobicContact CB-CH2 4.29Å; H244-W438 HydrophobicContact CB-CZ3 4.33Å; H244-W438 AromaticContact CD2-CH2 3.99Å; H244-W438 AromaticContact CD2-CZ3 3.94Å; H244-W438 AromaticContact CE1-CZ3 3.61Å; H244-W438 AromaticContact CG-CH2 3.85Å; H244-W438 AromaticContact CG-CZ3 3.62Å; H244-W438 AromaticContact ND1-CZ3 3.39Å; H244-W438 WeakPolarHBondContact ND1-CZ3 3.44Å; H244-W438 AromaticContact NE2-CZ3 3.94Å
245I93.5Very high95.9Very high9 Ų919.7 Ų19.75%0.04611%0.112CC..  trans-8198.6173.2-59.9177.4000107.6T247 N248 N386 P388 T391 E395I245-T247 VanDerWaalsContact CG2-OG1 3.3Å; I245-T247 WeakPolarHBondContact CG2-OG1 3.48Å; I245-T247 PolarHBondContact O-N 3.07Å; I245-T247 VanDerWaalsContact O-N 3.09Å; I245-N248 HydrophobicContact CB-CB 4.48Å; I245-N248 VanDerWaalsContact O-CB 3.26Å; I245-N248 WeakPolarHBondContact O-CB 3.36Å; I245-N248 PolarHBondContact O-N 2.85Å; I245-N386 HydrophobicContact CG1-CB 4.31Å; I245-P388 HydrophobicContact CG2-CG 4.27Å; I245-T391 HydrophobicContact CD1-CG2 4.23Å; I245-E395 HydrophobicContact CD1-CB 3.87Å; I245-E395 HydrophobicContact CG1-CB 3.95Å; I245-E395 PolarHBondContact N-OE1 2.94Å; I245-E395 VanDerWaalsContact N-OE1 3.09Å
246V93.4Very high95.8Very high2 Ų223 Ų231%0.01213%0.131CC..Hα-helixtrans-55.2-36.2-172.2-178.40000112.6H244 N248 T249 I362 I383H244-V246 PolarHBondContact O-N 3.18Å; H244-V246 VanDerWaalsContact O-N 3.13Å; V246-N248 VanDerWaalsContact C-N 3.25Å; V246-N248 PolarHBondContact O-N 2.87Å; V246-T249 WeakPolarHBondContact O-CB 3.35Å; V246-T249 PolarHBondContact O-N 2.76Å; V246-I362 HydrophobicContact CG1-CD1 4.06Å; V246-I362 HydrophobicContact CG1-CG1 3.92Å; V246-I362 HydrophobicContact CG1-CG2 4.03Å; V246-I383 HydrophobicContact CG1-CG2 4.29Å
247T92.8Very high95.5Very high2 Ų228.5 Ų28.51%0.01215%0.152CC..Hα-helixtrans-62.6-27.5176.853.30000113.8I245 T249 L250 F251 I383 L387 P388I245-T247 VanDerWaalsContact CG2-OG1 3.3Å; I245-T247 WeakPolarHBondContact CG2-OG1 3.48Å; I245-T247 PolarHBondContact O-N 3.07Å; I245-T247 VanDerWaalsContact O-N 3.09Å; T247-T249 PolarHBondContact O-N 3.35Å; T247-L250 WeakPolarHBondContact O-CB 3.45Å; T247-L250 PolarHBondContact O-N 2.99Å; T247-F251 WeakPolarHBondContact O-CD2 2.96Å; T247-F251 PolarHBondContact O-N 2.9Å; T247-I383 HydrophobicContact CG2-CB 3.77Å; T247-I383 HydrophobicContact CG2-CD1 3.79Å; T247-I383 HydrophobicContact CG2-CG1 4.27Å; T247-I383 HydrophobicContact CG2-CG2 4.04Å; T247-L387 HydrophobicContact CG2-CD2 3.54Å; T247-P388 WeakPolarHBondContact OG1-CD 3.18Å
248N92.3Very high95.4Very high32 Ų3233.3 Ų33.317%0.17118%0.178CC..Hα-helixtrans-60.8-32.6173.1-76-19.1000112I245 V246 L250 F251 K252 P388 E395I245-N248 HydrophobicContact CB-CB 4.48Å; I245-N248 VanDerWaalsContact O-CB 3.26Å; I245-N248 WeakPolarHBondContact O-CB 3.36Å; I245-N248 PolarHBondContact O-N 2.85Å; V246-N248 VanDerWaalsContact C-N 3.25Å; V246-N248 PolarHBondContact O-N 2.87Å; N248-L250 VanDerWaalsContact C-N 3.33Å; N248-F251 PolarHBondContact O-N 3.34Å; N248-K252 VanDerWaalsContact O-CB 3.29Å; N248-K252 WeakPolarHBondContact O-CB 3.16Å; N248-K252 WeakPolarHBondContact O-CD 3.23Å; N248-K252 WeakPolarHBondContact O-CG 3.33Å; N248-K252 PolarHBondContact O-N 2.76Å; N248-P388 WeakPolarHBondContact OD1-CG 3.46Å; N248-E395 PolarHBondContact ND2-OE1 2.75Å; N248-E395 PolarHBondContact ND2-OE2 3.4Å
249T93.7Very high95.4Very high46 Ų4633.4 Ų33.428%0.28218%0.178SC..Hα-helixtrans-65.3-38.9175.1-57.60000111.2H244 V246 T247 S253 I358H244-T249 PolarHBondContact CE1-OG1 3.38Å; H244-T249 PolarHBondContact NE2-OG1 3.39Å; V246-T249 WeakPolarHBondContact O-CB 3.35Å; V246-T249 PolarHBondContact O-N 2.76Å; T247-T249 PolarHBondContact O-N 3.35Å; T249-S253 PolarHBondContact O-N 3.49Å; T249-I358 HydrophobicContact CG2-CG2 3.93Å
250L95.6Very high95.3Very high2 Ų233.6 Ų33.61%0.0118%0.179CC..Hα-helixtrans-66.4-46.7174.6-67.9164.9000110.9T247 N248 K252 S253 L255 I260 I358 I359 I362 I383T247-L250 WeakPolarHBondContact O-CB 3.45Å; T247-L250 PolarHBondContact O-N 2.99Å; N248-L250 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 3.02Å; L250-S253 WeakPolarHBondContact O-CB 3.39Å; L250-S253 PolarHBondContact O-N 3.37Å; L250-S253 VanDerWaalsContact O-N 3.1Å; L250-S253 PolarHBondContact O-OG 2.83Å; L250-L255 HydrophobicContact CB-CD1 4.45Å; L250-L255 HydrophobicContact CD2-CD1 3.66Å; L250-L255 PolarHBondContact O-N 3.27Å; L250-I260 HydrophobicContact CB-CD1 3.53Å; L250-I260 HydrophobicContact CB-CG1 4.18Å; L250-I260 HydrophobicContact CD1-CD1 3.95Å; L250-I260 HydrophobicContact CD1-CG1 4.04Å; L250-I260 HydrophobicContact CD1-CG2 4Å; L250-I260 HydrophobicContact CG-CD1 4.33Å; L250-I358 HydrophobicContact CD2-CG2 4.07Å; L250-I359 HydrophobicContact CD2-CG1 4Å; L250-I362 HydrophobicContact CD1-CD1 3.87Å; L250-I362 HydrophobicContact CD2-CD1 3.47Å; L250-I362 VanDerWaalsContact CD2-CD1 3.47Å; L250-I362 HydrophobicContact CG-CD1 3.4Å; L250-I383 HydrophobicContact CD1-CG2 3.91Å
251F95.2Very high95.2Very high65 Ų6536 Ų3629%0.28519%0.19SC..Hα-helixtrans-61.9-43.5177.9-64.1-49.5000112.7T247 N248 S253 G254 L255 Y257 I260 P388T247-F251 WeakPolarHBondContact O-CD2 2.96Å; T247-F251 PolarHBondContact O-N 2.9Å; N248-F251 PolarHBondContact O-N 3.34Å; F251-S253 PolarHBondContact O-N 3.32Å; F251-S253 VanDerWaalsContact O-N 3.17Å; F251-G254 PolarHBondContact O-N 2.74Å; F251-L255 VanDerWaalsContact CD1-O 3.32Å; F251-L255 WeakPolarHBondContact CD1-O 3.33Å; F251-Y257 HydrophobicContact CZ-CD2 4.17Å; F251-I260 HydrophobicContact CD1-CD1 3.91Å; F251-I260 HydrophobicContact CE1-CD1 3.47Å; F251-I260 VanDerWaalsContact CE1-CD1 3.47Å; F251-I260 HydrophobicContact CZ-CD1 3.9Å; F251-P388 HydrophobicContact CD2-CG 4.09Å; F251-P388 HydrophobicContact CE2-CG 3.63Å
252K95.4Very high95.2Very high150 Ų15038 Ų3865%0.65221%0.205SC*.Hα-helixtrans-61.3-23.5176.3-73.7167.8-174.9165.50112.4N248 L250 G254 E395N248-K252 VanDerWaalsContact O-CB 3.29Å; N248-K252 WeakPolarHBondContact O-CB 3.16Å; N248-K252 WeakPolarHBondContact O-CD 3.23Å; N248-K252 WeakPolarHBondContact O-CG 3.33Å; N248-K252 PolarHBondContact O-N 2.76Å; L250-K252 PolarHBondContact O-N 3.02Å; K252-G254 VanDerWaalsContact C-N 3.29Å; K252-E395 IonicContact NZ-OE2 2.78Å; K252-E395 PolarHBondContact NZ-OE2 2.79Å
253S96.4Very high95.2Very high27 Ų2738.1 Ų38.119%0.18921%0.205CC..THydrogen-bonded Turntrans-82.3-0.6173.781.70000114.7T249 L250 F251 L255 Q355 I358T249-S253 PolarHBondContact O-N 3.49Å; L250-S253 WeakPolarHBondContact O-CB 3.39Å; L250-S253 PolarHBondContact O-N 3.37Å; L250-S253 VanDerWaalsContact O-N 3.1Å; L250-S253 PolarHBondContact O-OG 2.83Å; F251-S253 PolarHBondContact O-N 3.32Å; F251-S253 VanDerWaalsContact O-N 3.17Å; S253-L255 WeakPolarHBondContact OG-CG 3.5Å; S253-Q355 WeakPolarHBondContact O-CG 3.37Å; S253-Q355 PolarHBondContact O-NE2 3.29Å; S253-I358 VanDerWaalsContact CB-CD1 3.41Å
254G97Very high95.3Very high59 Ų5939 Ų3961%0.60821%0.21SC*.THydrogen-bonded Turntrans85.49.4-178.800000114.8F251 K252F251-G254 PolarHBondContact O-N 2.74Å; K252-G254 VanDerWaalsContact C-N 3.29Å
255L96.7Very high95.4Very high8 Ų843.9 Ų43.94%0.04224%0.236CC..  trans-79.4135.5171-61172.4000109.1L250 F251 S253 F259 I260 I351 Q355 I359L250-L255 HydrophobicContact CB-CD1 4.45Å; L250-L255 HydrophobicContact CD2-CD1 3.66Å; L250-L255 PolarHBondContact O-N 3.27Å; F251-L255 VanDerWaalsContact CD1-O 3.32Å; F251-L255 WeakPolarHBondContact CD1-O 3.33Å; S253-L255 WeakPolarHBondContact OG-CG 3.5Å; L255-F259 HydrophobicContact CB-CD1 4.22Å; L255-F259 HydrophobicContact CD1-CD1 4.26Å; L255-F259 HydrophobicContact CD1-CE1 4.09Å; L255-F259 HydrophobicContact CD2-CD1 3.75Å; L255-F259 HydrophobicContact CD2-CE1 3.77Å; L255-F259 HydrophobicContact CD2-CG 4.33Å; L255-F259 HydrophobicContact CD2-CZ 4.36Å; L255-F259 HydrophobicContact CG-CD1 4.29Å; L255-F259 HydrophobicContact CG-CE1 4.43Å; L255-I260 HydrophobicContact CB-CD1 4.49Å; L255-I260 HydrophobicContact CB-CG1 4.37Å; L255-I351 HydrophobicContact CD2-CD1 3.52Å; L255-Q355 HydrophobicContact CD1-CB 4.45Å; L255-Q355 HydrophobicContact CD2-CB 4.18Å; L255-Q355 HydrophobicContact CD2-CG 4Å; L255-Q355 HydrophobicContact CG-CB 4.43Å; L255-Q355 HydrophobicContact CG-CG 4.09Å; L255-I359 HydrophobicContact CD1-CD1 3.86Å; L255-I359 HydrophobicContact CD1-CG1 3.88Å
256N95Very high95.7Very high71 Ų7144.5 Ų44.538%0.3824%0.239SC..  trans-92.5169.5178.569.316.6000111.7D258 F259 I260N256-D258 PolarHBondContact O-N 2.78Å; N256-D258 PolarHBondContact OD1-N 3.1Å; N256-F259 PolarHBondContact O-N 3.27Å; N256-F259 VanDerWaalsContact OD1-CB 3.24Å; N256-F259 WeakPolarHBondContact OD1-CB 3.3Å; N256-F259 PolarHBondContact OD1-N 3.08Å; N256-I260 WeakPolarHBondContact O-CG1 3.39Å; N256-I260 PolarHBondContact O-N 2.77Å
257Y94Very high95.9Very high115 Ų11544.4 Ų44.445%0.45124%0.238SC..Hα-helixtrans-60.3-44.2-177.6-178.7-98.7000112.4F251 F259 I260 Q261F251-Y257 HydrophobicContact CZ-CD2 4.17Å; Y257-F259 VanDerWaalsContact C-N 3.32Å; Y257-F259 PolarHBondContact O-N 2.93Å; Y257-I260 PolarHBondContact O-N 3.38Å; Y257-I260 VanDerWaalsContact O-N 3.11Å; Y257-Q261 HydrophobicContact CD1-CG 3.94Å; Y257-Q261 HydrophobicContact CD2-CG 4.42Å; Y257-Q261 HydrophobicContact CE1-CG 3.5Å; Y257-Q261 VanDerWaalsContact CE1-CG 3.5Å; Y257-Q261 HydrophobicContact CE2-CG 4.02Å; Y257-Q261 HydrophobicContact CG-CG 4.39Å; Y257-Q261 WeakPolarHBondContact O-CG 3.33Å; Y257-Q261 PolarHBondContact O-N 2.62Å; Y257-Q261 PolarHBondContact OH-NE2 3.04Å; Y257-Q261 VanDerWaalsContact OH-NE2 3.15Å
258D95.7Very high96.1Very high101 Ų10145.7 Ų45.754%0.5425%0.247SC..Hα-helixtrans-61-39.8-178.9-62.7-22.3000112.3N256 S262N256-D258 PolarHBondContact O-N 2.78Å; N256-D258 PolarHBondContact OD1-N 3.1Å; D258-S262 VanDerWaalsContact O-CB 3.27Å; D258-S262 WeakPolarHBondContact O-CB 3.17Å; D258-S262 PolarHBondContact O-N 3.49Å; D258-S262 PolarHBondContact O-OG 2.96Å
259F97.1Very high96.3Very high1 Ų145.8 Ų45.80%0.00425%0.251CS..Hα-helixtrans-62.2-48.5173.7178.5-92.1000111.2L255 N256 Y257 Q261 S262 I263 L345 F346 Y349 I351 I359L255-F259 HydrophobicContact CB-CD1 4.22Å; L255-F259 HydrophobicContact CD1-CD1 4.26Å; L255-F259 HydrophobicContact CD1-CE1 4.09Å; L255-F259 HydrophobicContact CD2-CD1 3.75Å; L255-F259 HydrophobicContact CD2-CE1 3.77Å; L255-F259 HydrophobicContact CD2-CG 4.33Å; L255-F259 HydrophobicContact CD2-CZ 4.36Å; L255-F259 HydrophobicContact CG-CD1 4.29Å; L255-F259 HydrophobicContact CG-CE1 4.43Å; N256-F259 PolarHBondContact O-N 3.27Å; N256-F259 VanDerWaalsContact OD1-CB 3.24Å; N256-F259 WeakPolarHBondContact OD1-CB 3.3Å; N256-F259 PolarHBondContact OD1-N 3.08Å; Y257-F259 VanDerWaalsContact C-N 3.32Å; Y257-F259 PolarHBondContact O-N 2.93Å; F259-Q261 VanDerWaalsContact C-N 3.35Å; F259-Q261 PolarHBondContact O-N 3.24Å; F259-S262 PolarHBondContact O-N 2.75Å; F259-I263 HydrophobicContact CE1-CD1 4.36Å; F259-I263 HydrophobicContact CE1-CG2 4.32Å; F259-I263 HydrophobicContact CZ-CD1 4.46Å; F259-I263 WeakPolarHBondContact O-CG2 3.49Å; F259-I263 PolarHBondContact O-N 3.38Å; F259-L345 HydrophobicContact CD2-CD1 4.22Å; F259-L345 HydrophobicContact CD2-CD2 4.11Å; F259-L345 HydrophobicContact CD2-CG 4Å; F259-L345 HydrophobicContact CE2-CD1 4.46Å; F259-L345 HydrophobicContact CE2-CD2 3.86Å; F259-L345 HydrophobicContact CE2-CG 3.75Å; F259-L345 HydrophobicContact CZ-CD2 4.45Å; F259-F346 HydrophobicContact CE2-CD1 4.31Å; F259-F346 HydrophobicContact CZ-CD1 4.07Å; F259-F346 AromaticContact CZ-CE1 3.87Å; F259-F346 HydrophobicContact CZ-CE1 3.87Å; F259-Y349 HydrophobicContact CB-CD1 4.07Å; F259-Y349 HydrophobicContact CB-CE1 3.69Å; F259-Y349 AromaticContact CD2-CD1 3.67Å; F259-Y349 HydrophobicContact CD2-CD1 3.67Å; F259-Y349 AromaticContact CD2-CD2 3.6Å; F259-Y349 HydrophobicContact CD2-CD2 3.6Å; F259-Y349 HydrophobicContact CD2-CE1 4.02Å; F259-Y349 AromaticContact CD2-CE2 3.94Å; F259-Y349 HydrophobicContact CD2-CE2 3.94Å; F259-Y349 AromaticContact CD2-CG 3.44Å; F259-Y349 HydrophobicContact CD2-CG 3.44Å; F259-Y349 VanDerWaalsContact CD2-CG 3.44Å; F259-Y349 HydrophobicContact CE2-CD2 4.19Å; F259-Y349 AromaticContact CE2-CG 4Å; F259-Y349 HydrophobicContact CE2-CG 4Å; F259-Y349 HydrophobicContact CG-CD1 4.18Å; F259-Y349 HydrophobicContact CG-CE1 4.27Å; F259-Y349 HydrophobicContact CG-CG 4.38Å; F259-I351 HydrophobicContact CD2-CD1 4.36Å; F259-I351 HydrophobicContact CE1-CD1 4.02Å; F259-I351 HydrophobicContact CE2-CD1 3.55Å; F259-I351 HydrophobicContact CE2-CG1 3.99Å; F259-I351 HydrophobicContact CZ-CD1 3.36Å; F259-I351 HydrophobicContact CZ-CG1 3.93Å; F259-I359 HydrophobicContact CE1-CD1 3.75Å; F259-I359 HydrophobicContact CZ-CD1 4.08Å
260I96.2Very high96.5Very high4 Ų443.7 Ų43.72%0.02124%0.238CC..Hα-helixtrans-62.6-42-177.8-63.7166.1000110.8L250 F251 L255 N256 Y257 I263 N264 L381 I383L250-I260 HydrophobicContact CB-CD1 3.53Å; L250-I260 HydrophobicContact CB-CG1 4.18Å; L250-I260 HydrophobicContact CD1-CD1 3.95Å; L250-I260 HydrophobicContact CD1-CG1 4.04Å; L250-I260 HydrophobicContact CD1-CG2 4Å; L250-I260 HydrophobicContact CG-CD1 4.33Å; F251-I260 HydrophobicContact CD1-CD1 3.91Å; F251-I260 HydrophobicContact CE1-CD1 3.47Å; F251-I260 VanDerWaalsContact CE1-CD1 3.47Å; F251-I260 HydrophobicContact CZ-CD1 3.9Å; L255-I260 HydrophobicContact CB-CD1 4.49Å; L255-I260 HydrophobicContact CB-CG1 4.37Å; N256-I260 WeakPolarHBondContact O-CG1 3.39Å; N256-I260 PolarHBondContact O-N 2.77Å; Y257-I260 PolarHBondContact O-N 3.38Å; Y257-I260 VanDerWaalsContact O-N 3.11Å; I260-I263 WeakPolarHBondContact O-CG2 3.28Å; I260-N264 VanDerWaalsContact O-CB 3.31Å; I260-N264 WeakPolarHBondContact O-CB 3.47Å; I260-N264 PolarHBondContact O-N 2.93Å; I260-L381 HydrophobicContact CG2-CD1 4.31Å; I260-I383 HydrophobicContact CG2-CD1 4.49Å
261Q95.5Very high96.5Very high50 Ų5043.7 Ų43.723%0.23424%0.237CC..Hα-helixtrans-65.9-43.1174.7-71.1-61.3-26.700111.7Y257 F259 I263 N264 L265Y257-Q261 HydrophobicContact CD1-CG 3.94Å; Y257-Q261 HydrophobicContact CD2-CG 4.42Å; Y257-Q261 HydrophobicContact CE1-CG 3.5Å; Y257-Q261 VanDerWaalsContact CE1-CG 3.5Å; Y257-Q261 HydrophobicContact CE2-CG 4.02Å; Y257-Q261 HydrophobicContact CG-CG 4.39Å; Y257-Q261 WeakPolarHBondContact O-CG 3.33Å; Y257-Q261 PolarHBondContact O-N 2.62Å; Y257-Q261 PolarHBondContact OH-NE2 3.04Å; Y257-Q261 VanDerWaalsContact OH-NE2 3.15Å; F259-Q261 VanDerWaalsContact C-N 3.35Å; F259-Q261 PolarHBondContact O-N 3.24Å; Q261-I263 PolarHBondContact O-N 3.17Å; Q261-N264 WeakPolarHBondContact O-CB 3.44Å; Q261-N264 PolarHBondContact O-N 2.86Å; Q261-L265 WeakPolarHBondContact O-CG 3.4Å; Q261-L265 PolarHBondContact O-N 3.41Å
262S97.7Very high96.5Very high44 Ų4443.1 Ų43.131%0.30824%0.241SC..Hα-helixtrans-62.2-45.8179.3-61.90000112.1D258 F259 N264 I266D258-S262 VanDerWaalsContact O-CB 3.27Å; D258-S262 WeakPolarHBondContact O-CB 3.17Å; D258-S262 PolarHBondContact O-N 3.49Å; D258-S262 PolarHBondContact O-OG 2.96Å; F259-S262 PolarHBondContact O-N 2.75Å; S262-N264 VanDerWaalsContact C-N 3.33Å; S262-I266 WeakPolarHBondContact O-CB 3.37Å; S262-I266 WeakPolarHBondContact O-CD1 3.44Å; S262-I266 VanDerWaalsContact O-CG1 3.22Å; S262-I266 WeakPolarHBondContact O-CG1 3.24Å; S262-I266 PolarHBondContact O-N 3.34Å
263I97.5Very high96.3Very high1 Ų136.2 Ų36.21%0.00521%0.211CC..Hα-helixtrans-65.2-38.9177.2-169.6179000110.8F259 I260 Q261 I266 I267 L342 L345 F346 I359 L381F259-I263 HydrophobicContact CE1-CD1 4.36Å; F259-I263 HydrophobicContact CE1-CG2 4.32Å; F259-I263 HydrophobicContact CZ-CD1 4.46Å; F259-I263 WeakPolarHBondContact O-CG2 3.49Å; F259-I263 PolarHBondContact O-N 3.38Å; I260-I263 WeakPolarHBondContact O-CG2 3.28Å; Q261-I263 PolarHBondContact O-N 3.17Å; I263-I266 PolarHBondContact O-N 3.4Å; I263-I267 HydrophobicContact CD1-CD1 4.27Å; I263-I267 HydrophobicContact CG1-CD1 3.73Å; I263-I267 HydrophobicContact CG1-CG1 4.32Å; I263-I267 WeakPolarHBondContact O-CB 3.17Å; I263-I267 WeakPolarHBondContact O-CD1 3.32Å; I263-I267 VanDerWaalsContact O-CG1 3.25Å; I263-I267 WeakPolarHBondContact O-CG1 3.42Å; I263-I267 PolarHBondContact O-N 3Å; I263-L342 HydrophobicContact CD1-CD1 4.29Å; I263-L342 HydrophobicContact CG1-CD1 3.82Å; I263-L345 HydrophobicContact CB-CD2 4.08Å; I263-F346 HydrophobicContact CD1-CE1 3.78Å; I263-F346 HydrophobicContact CD1-CZ 4.05Å; I263-F346 HydrophobicContact CG1-CE1 4.46Å; I263-I359 HydrophobicContact CD1-CD1 4.23Å; I263-I359 HydrophobicContact CD1-CG2 3.7Å; I263-L381 HydrophobicContact CG2-CD1 3.44Å; I263-L381 VanDerWaalsContact CG2-CD1 3.44Å; I263-L381 HydrophobicContact CG2-CG 4.3Å
264N96.4Very high95.8Very high20 Ų2040.8 Ų40.811%0.10723%0.233CC..Hα-helixtrans-60.4-50.7177.9-164.749.9000111.3I260 Q261 S262 I266 I267 S268 H380 L381I260-N264 VanDerWaalsContact O-CB 3.31Å; I260-N264 WeakPolarHBondContact O-CB 3.47Å; I260-N264 PolarHBondContact O-N 2.93Å; Q261-N264 WeakPolarHBondContact O-CB 3.44Å; Q261-N264 PolarHBondContact O-N 2.86Å; S262-N264 VanDerWaalsContact C-N 3.33Å; N264-I266 VanDerWaalsContact C-N 3.32Å; N264-I266 PolarHBondContact O-N 3.43Å; N264-I267 PolarHBondContact O-N 2.73Å; N264-S268 PolarHBondContact O-N 2.76Å; N264-S268 VanDerWaalsContact O-N 3.07Å; N264-S268 PolarHBondContact O-OG 3.44Å; N264-S268 VanDerWaalsContact O-OG 3.06Å; N264-H380 PolarHBondContact ND2-ND1 3.44Å; N264-H380 VanDerWaalsContact ND2-ND1 3.14Å; N264-H380 VanDerWaalsContact OD1-CB 3.28Å; N264-H380 WeakPolarHBondContact OD1-CB 3.45Å; N264-H380 PolarHBondContact OD1-ND1 2.81Å; N264-L381 PolarHBondContact OD1-N 3Å
265L96.9Very high95.1Very high112 Ų11239.4 Ų39.459%0.58621%0.213SC*.Hα-helixtrans-61.1-39177.6-68.9172.4000112.7Q261 S269Q261-L265 WeakPolarHBondContact O-CG 3.4Å; Q261-L265 PolarHBondContact O-N 3.41Å; L265-S269 PolarHBondContact O-N 3.4Å; L265-S269 PolarHBondContact O-OG 2.82Å
266I98.4Very high94.1Very high22 Ų2240 Ų4011%0.11322%0.218CC..Hα-helixtrans-67-42.4177-71168.6000110.6S262 I263 N264 S269 I270 Y338 K341 L342 L345S262-I266 WeakPolarHBondContact O-CB 3.37Å; S262-I266 WeakPolarHBondContact O-CD1 3.44Å; S262-I266 VanDerWaalsContact O-CG1 3.22Å; S262-I266 WeakPolarHBondContact O-CG1 3.24Å; S262-I266 PolarHBondContact O-N 3.34Å; I263-I266 PolarHBondContact O-N 3.4Å; N264-I266 VanDerWaalsContact C-N 3.32Å; N264-I266 PolarHBondContact O-N 3.43Å; I266-S269 CarbonylContact O-C 3.55Å; I266-S269 WeakPolarHBondContact O-CA 2.93Å; I266-S269 WeakPolarHBondContact O-CB 3.09Å; I266-S269 PolarHBondContact O-N 3.09Å; I266-S269 VanDerWaalsContact O-N 3.09Å; I266-I270 HydrophobicContact CG2-CD1 3.74Å; I266-I270 HydrophobicContact CG2-CG1 4.39Å; I266-I270 WeakPolarHBondContact O-CG1 3.4Å; I266-I270 PolarHBondContact O-N 3.42Å; I266-I270 VanDerWaalsContact O-N 3.07Å; I266-Y338 WeakPolarHBondContact CG2-O 3.44Å; I266-K341 HydrophobicContact CD1-CB 4.23Å; I266-L342 HydrophobicContact CG2-CB 3.81Å; I266-L342 HydrophobicContact CG2-CD1 4.26Å; I266-L342 HydrophobicContact CG2-CG 4.5Å; I266-L345 HydrophobicContact CD1-CB 4.42Å; I266-L345 HydrophobicContact CD1-CD2 4.01Å
267I97.9Very high93.4Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-60.3-48178.4-77.2164.1000111I263 N264 S269 I270 F271 F287 I364 I379 L381I263-I267 HydrophobicContact CD1-CD1 4.27Å; I263-I267 HydrophobicContact CG1-CD1 3.73Å; I263-I267 HydrophobicContact CG1-CG1 4.32Å; I263-I267 WeakPolarHBondContact O-CB 3.17Å; I263-I267 WeakPolarHBondContact O-CD1 3.32Å; I263-I267 VanDerWaalsContact O-CG1 3.25Å; I263-I267 WeakPolarHBondContact O-CG1 3.42Å; I263-I267 PolarHBondContact O-N 3Å; N264-I267 PolarHBondContact O-N 2.73Å; I267-S269 PolarHBondContact O-N 3.13Å; I267-S269 VanDerWaalsContact O-N 3.14Å; I267-I270 PolarHBondContact O-N 3.09Å; I267-F271 HydrophobicContact CG2-CD2 4.08Å; I267-F271 PolarHBondContact O-N 2.65Å; I267-F287 HydrophobicContact CD1-CD2 4.41Å; I267-F287 HydrophobicContact CD1-CE2 3.56Å; I267-F287 HydrophobicContact CD1-CZ 3.94Å; I267-F287 HydrophobicContact CG1-CD2 4.45Å; I267-F287 HydrophobicContact CG1-CE2 3.93Å; I267-I364 HydrophobicContact CD1-CG2 3.82Å; I267-I364 HydrophobicContact CG1-CG2 4.41Å; I267-I364 HydrophobicContact CG2-CB 4.33Å; I267-I364 HydrophobicContact CG2-CD1 4.45Å; I267-I364 HydrophobicContact CG2-CG2 3.64Å; I267-I379 HydrophobicContact CG2-CG2 4.23Å; I267-L381 HydrophobicContact CD1-CD2 3.39Å; I267-L381 HydrophobicContact CD1-CG 3.65Å
268S96.5Very high93.1Very high29 Ų2939.4 Ų39.420%0.20321%0.212CC..Hα-helixtrans-63.4-20.5177.2-46.10000112.9N264 C332 I379 H380N264-S268 PolarHBondContact O-N 2.76Å; N264-S268 VanDerWaalsContact O-N 3.07Å; N264-S268 PolarHBondContact O-OG 3.44Å; N264-S268 VanDerWaalsContact O-OG 3.06Å; S268-C332 PolarHBondContact O-SG 3.07Å; S268-I379 VanDerWaalsContact CA-O 3.25Å; S268-I379 WeakPolarHBondContact CA-O 3.23Å; S268-I379 WeakPolarHBondContact CB-O 3.24Å; S268-I379 PolarHBondContact OG-O 3.09Å; S268-H380 PolarHBondContact OG-CE1 3.33Å; S268-H380 PolarHBondContact OG-ND1 3.12Å; S268-H380 PolarHBondContact OG-NE2 3.45Å
269S97.5Very high92.7Very high35 Ų3538.8 Ų38.825%0.24521%0.209CC..THydrogen-bonded Turntrans-90-9.2173.9-54.60000113.7L265 I266 I267 C332 Y338L265-S269 PolarHBondContact O-N 3.4Å; L265-S269 PolarHBondContact O-OG 2.82Å; I266-S269 CarbonylContact O-C 3.55Å; I266-S269 WeakPolarHBondContact O-CA 2.93Å; I266-S269 WeakPolarHBondContact O-CB 3.09Å; I266-S269 PolarHBondContact O-N 3.09Å; I266-S269 VanDerWaalsContact O-N 3.09Å; I267-S269 PolarHBondContact O-N 3.13Å; I267-S269 VanDerWaalsContact O-N 3.14Å; S269-C332 VanDerWaalsContact O-CB 3.28Å; S269-C332 WeakPolarHBondContact O-CB 3.44Å; S269-C332 PolarHBondContact O-SG 3.49Å; S269-C332 VanDerWaalsContact O-SG 3.38Å; S269-Y338 VanDerWaalsContact CB-CD1 3.49Å; S269-Y338 VanDerWaalsContact CB-CG 3.49Å; S269-Y338 VanDerWaalsContact O-CD2 3.31Å; S269-Y338 WeakPolarHBondContact O-CD2 3.15Å
270I97.3Very high92.5Very high1 Ų139.1 Ų39.11%0.00521%0.21CC..THydrogen-bonded Turntrans-96.6-45.5175-67.7166.3000110.3I266 I267 L331 C332 I339 L342I266-I270 HydrophobicContact CG2-CD1 3.74Å; I266-I270 HydrophobicContact CG2-CG1 4.39Å; I266-I270 WeakPolarHBondContact O-CG1 3.4Å; I266-I270 PolarHBondContact O-N 3.42Å; I266-I270 VanDerWaalsContact O-N 3.07Å; I267-I270 PolarHBondContact O-N 3.09Å; I270-L331 HydrophobicContact CG2-CD2 4Å; I270-L331 CarbonylContact O-C 3.5Å; I270-L331 VanDerWaalsContact O-CA 3.3Å; I270-L331 WeakPolarHBondContact O-CA 3.47Å; I270-C332 PolarHBondContact O-N 3.07Å; I270-I339 HydrophobicContact CD1-CG1 3.94Å; I270-I339 HydrophobicContact CG1-CG1 4.13Å; I270-I339 HydrophobicContact CG2-CD1 4.5Å; I270-I339 HydrophobicContact CG2-CG1 4.2Å; I270-L342 HydrophobicContact CD1-CB 4.45Å; I270-L342 HydrophobicContact CD1-CD2 4.06Å
271F96.7Very high92.3Very high2 Ų239.3 Ų39.31%0.00921%0.211CC..BIsolated β-bridgetrans-108110.5-172.7-60-81.5000111I267 I283 I286 F287 L290 I330 L331 C332 I364 I379I267-F271 HydrophobicContact CG2-CD2 4.08Å; I267-F271 PolarHBondContact O-N 2.65Å; F271-I283 HydrophobicContact CB-CG2 4.16Å; F271-I283 HydrophobicContact CD1-CG2 3.5Å; F271-I283 VanDerWaalsContact CD1-CG2 3.5Å; F271-I283 HydrophobicContact CE1-CG2 4.07Å; F271-I283 HydrophobicContact CG-CG2 3.95Å; F271-I286 HydrophobicContact CE1-CB 4.27Å; F271-I286 HydrophobicContact CE1-CG2 3.9Å; F271-I286 HydrophobicContact CZ-CG2 4.31Å; F271-F287 HydrophobicContact CE2-CB 4.17Å; F271-F287 HydrophobicContact CE2-CD2 4.1Å; F271-F287 HydrophobicContact CZ-CB 3.88Å; F271-L290 HydrophobicContact CZ-CD2 4.37Å; F271-I330 CarbonylContact C-O 3.52Å; F271-I330 WeakPolarHBondContact CA-O 2.98Å; F271-I330 HydrophobicContact CD1-CG2 3.87Å; F271-I330 HydrophobicContact CE1-CG2 4.49Å; F271-L331 HydrophobicContact CD1-CD2 3.88Å; F271-L331 HydrophobicContact CE1-CD2 3.92Å; F271-C332 PolarHBondContact N-SG 3.41Å; F271-I364 HydrophobicContact CD1-CD1 4.34Å; F271-I364 HydrophobicContact CD2-CD1 3.63Å; F271-I364 HydrophobicContact CE1-CD1 4.32Å; F271-I364 HydrophobicContact CE2-CD1 3.62Å; F271-I364 HydrophobicContact CG-CD1 4.01Å; F271-I364 HydrophobicContact CZ-CD1 3.98Å; F271-I379 HydrophobicContact CB-CB 3.86Å; F271-I379 HydrophobicContact CB-CG1 4.19Å; F271-I379 HydrophobicContact CB-CG2 3.82Å; F271-I379 HydrophobicContact CG-CG2 4.36Å
272C93.7Very high92.1Very high54 Ų5438.8 Ų38.837%0.36521%0.211SC..  trans-133.576.8177.6-65.50000108.4I274 I330 C332C272-I274 PolarHBondContact O-N 2.87Å; C272-I274 VanDerWaalsContact O-N 3.17Å; C272-I330 CarbonylContact C-O 3.57Å; C272-I330 VanDerWaalsContact C-O 3.28Å; C272-I330 PolarHBondContact N-O 3.39Å; C272-C332 HydrophobicContact CB-CB 3.77Å; C272-C332 WeakPolarHBondContact CB-SG 3.47Å; C272-C332 PolarHBondContact N-SG 3.33Å; C272-C332 WeakPolarHBondContact SG-CB 3.29Å; C272-C332 CovalentContact SG-SG 2.01Å; C272-C332 PolarHBondContact SG-SG 2.63Å
273P92.2Very high91.9Very high4 Ų436.7 Ų36.73%0.02620%0.197CC..  trans-59.5123-179.722.8-30.8000110.6S275 I278 I283 D329 Y366 P377 I379P273-S275 PolarHBondContact O-N 3.23Å; P273-I278 HydrophobicContact CB-CB 4.45Å; P273-I278 HydrophobicContact CB-CD1 3.93Å; P273-I283 HydrophobicContact CB-CD1 3.98Å; P273-I283 HydrophobicContact CG-CD1 3.9Å; P273-D329 CarbonylContact C-O 3.57Å; P273-D329 WeakPolarHBondContact CA-O 3.13Å; P273-Y366 HydrophobicContact CB-CE1 4.48Å; P273-Y366 HydrophobicContact CG-CE1 3.48Å; P273-Y366 VanDerWaalsContact CG-CE1 3.48Å; P273-Y366 WeakPolarHBondContact CG-OH 3.46Å; P273-P377 HydrophobicContact CG-CB 4.25Å; P273-I379 HydrophobicContact CG-CD1 4.37Å; P273-I379 HydrophobicContact CG-CG1 3.9Å
274I85.7Confident91.8Very high124 Ų12436.7 Ų36.764%0.63620%0.197SC*.SBendtrans-67-26.4-176.5-58.5-179.8000110.8C272 T328 D329C272-I274 PolarHBondContact O-N 2.87Å; C272-I274 VanDerWaalsContact O-N 3.17Å; I274-T328 WeakPolarHBondContact CD1-O 3.19Å; I274-D329 PolarHBondContact N-O 3.44Å
275S81.8Confident91.6Very high29 Ų2937.7 Ų37.720%0.20320%0.201CC..SBendtrans-137.6150.6178.9-166.50000111.8P273 Y277P273-S275 PolarHBondContact O-N 3.23Å; S275-Y277 VanDerWaalsContact C-N 3.27Å; S275-Y277 PolarHBondContact O-N 3.48Å; S275-Y277 WeakPolarHBondContact OG-CD1 3.39Å; S275-Y277 WeakPolarHBondContact OG-CE1 3.48Å
276S76.6Confident91.4Very high20 Ų2032.6 Ų32.614%0.1417%0.174CC..THydrogen-bonded Turntrans-78.1-6.4-179.263.20000114.2F6 I278 I370F6-S276 WeakPolarHBondContact CE1-OG 3.35Å; S276-I278 PolarHBondContact O-N 3.13Å; S276-I370 WeakPolarHBondContact OG-CD1 3.15Å
277Y81.2Confident91.3Very high157 Ų15731.5 Ų31.562%0.61617%0.169SC*.THydrogen-bonded Turntrans-73.8-12.4173.468.5-106.3000112.8S275 N279 D329S275-Y277 VanDerWaalsContact C-N 3.27Å; S275-Y277 PolarHBondContact O-N 3.48Å; S275-Y277 WeakPolarHBondContact OG-CD1 3.39Å; S275-Y277 WeakPolarHBondContact OG-CE1 3.48Å; Y277-N279 PolarHBondContact O-N 3.08Å; Y277-D329 PolarHBondContact OH-OD2 3Å
278I86.3Confident91.2Very high17 Ų1733.9 Ų33.99%0.08718%0.179CC..SBendtrans-72.1119.4179-58.6177.5000108.1P273 S276 E280 I283 D329 I330 Y366P273-I278 HydrophobicContact CB-CB 4.45Å; P273-I278 HydrophobicContact CB-CD1 3.93Å; S276-I278 PolarHBondContact O-N 3.13Å; I278-E280 PolarHBondContact O-N 3.44Å; I278-I283 HydrophobicContact CG2-CD1 3.81Å; I278-I283 HydrophobicContact CG2-CG1 3.73Å; I278-D329 HydrophobicContact CD1-CB 3.85Å; I278-D329 WeakPolarHBondContact CD1-O 3.42Å; I278-I330 HydrophobicContact CD1-CG1 3.89Å; I278-I330 HydrophobicContact CG2-CD1 4.25Å; I278-I330 HydrophobicContact CG2-CG1 4.05Å; I278-Y366 PolarHBondContact O-OH 3.01Å; I278-Y366 VanDerWaalsContact O-OH 3.09Å
279N88.8Confident91Very high88 Ų8835 Ų3547%0.47118%0.179SC..  trans-67.8125.8179-173.3-49.8000109.9Y277 N281 V282Y277-N279 PolarHBondContact O-N 3.08Å; N279-N281 PolarHBondContact O-N 3.16Å; N279-N281 VanDerWaalsContact O-N 3.16Å; N279-N281 VanDerWaalsContact OD1-CB 3.23Å; N279-N281 WeakPolarHBondContact OD1-CB 3.35Å; N279-N281 PolarHBondContact OD1-N 3.26Å; N279-N281 PolarHBondContact OD1-ND2 3.17Å; N279-V282 HydrophobicContact CB-CG2 4.2Å; N279-V282 WeakPolarHBondContact O-CB 3.28Å; N279-V282 PolarHBondContact O-N 2.76Å
280E91.6Very high90.9Very high9 Ų933.4 Ų33.44%0.04217%0.168CC..Hα-helixtrans-58.4-29.1-178.860.8-173.8163.800113.6I278 V282 I283 D284 C365 Y366 R431 A469 W476I278-E280 PolarHBondContact O-N 3.44Å; E280-V282 PolarHBondContact O-N 3.5Å; E280-I283 WeakPolarHBondContact O-CB 3.4Å; E280-I283 PolarHBondContact O-N 3.12Å; E280-I283 VanDerWaalsContact O-N 3.11Å; E280-D284 WeakPolarHBondContact O-CB 2.83Å; E280-D284 PolarHBondContact O-N 3.32Å; E280-C365 WeakPolarHBondContact OE2-CB 3.23Å; E280-Y366 HydrophobicContact CB-CD2 3.68Å; E280-Y366 HydrophobicContact CB-CE2 3.77Å; E280-Y366 HydrophobicContact CG-CD2 4.36Å; E280-Y366 PolarHBondContact OE2-N 3.27Å; E280-R431 IonicContact OE1-CZ 2.63Å; E280-R431 IonicContact OE1-NE 3.92Å; E280-R431 IonicContact OE1-NH2 2.71Å; E280-R431 PolarHBondContact OE1-NH2 3.42Å; E280-R431 IonicContact OE2-NE 3.18Å; E280-R431 IonicContact OE2-NH2 3.7Å; E280-A469 WeakPolarHBondContact OE1-CA 3.19Å; E280-A469 WeakPolarHBondContact OE1-CB 3.41Å; E280-W476 HydrophobicContact CG-CH2 4.46Å; E280-W476 HydrophobicContact CG-CZ3 4.06Å
281N91.7Very high90.9Very high7 Ų733.4 Ų33.44%0.03717%0.168CC..Hα-helixtrans-62.5-29.4174.6-64.6-35.9000112.8N279 Q285 G470 M483N279-N281 PolarHBondContact O-N 3.16Å; N279-N281 VanDerWaalsContact O-N 3.16Å; N279-N281 VanDerWaalsContact OD1-CB 3.23Å; N279-N281 WeakPolarHBondContact OD1-CB 3.35Å; N279-N281 PolarHBondContact OD1-N 3.26Å; N279-N281 PolarHBondContact OD1-ND2 3.17Å; N281-Q285 WeakPolarHBondContact O-CB 3.41Å; N281-Q285 VanDerWaalsContact O-CG 3.23Å; N281-Q285 WeakPolarHBondContact O-CG 3.43Å; N281-Q285 PolarHBondContact O-N 3.49Å; N281-Q285 PolarHBondContact O-NE2 2.82Å; N281-G470 PolarHBondContact ND2-O 3.42Å; N281-G470 VanDerWaalsContact OD1-CA 3.3Å; N281-G470 WeakPolarHBondContact OD1-CA 3.4Å; N281-M483 HydrophobicContact CB-CE 4.17Å
282V90.9Very high90.8Very high39 Ų3935.9 Ų35.924%0.23618%0.18CC..Hα-helixtrans-71.5-42.8176176.70000109.7N279 E280 D284 Q285 I286 L325 I330N279-V282 HydrophobicContact CB-CG2 4.2Å; N279-V282 WeakPolarHBondContact O-CB 3.28Å; N279-V282 PolarHBondContact O-N 2.76Å; E280-V282 PolarHBondContact O-N 3.5Å; V282-D284 VanDerWaalsContact C-N 3.34Å; V282-Q285 PolarHBondContact O-N 2.71Å; V282-I286 WeakPolarHBondContact O-CG1 3.3Å; V282-I286 PolarHBondContact O-N 2.51Å; V282-L325 HydrophobicContact CG1-CD1 4Å; V282-L325 HydrophobicContact CG1-CD2 3.69Å; V282-L325 HydrophobicContact CG1-CG 4.44Å; V282-I330 HydrophobicContact CG1-CD1 4.39Å
283I94.1Very high90.8Very high1 Ų135.7 Ų35.71%0.00517%0.173CC..Hα-helixtrans-62.8-45.7176.9-53.2179.7000109.5F271 P273 I278 E280 Q285 I286 F287 I330 I364 I379F271-I283 HydrophobicContact CB-CG2 4.16Å; F271-I283 HydrophobicContact CD1-CG2 3.5Å; F271-I283 VanDerWaalsContact CD1-CG2 3.5Å; F271-I283 HydrophobicContact CE1-CG2 4.07Å; F271-I283 HydrophobicContact CG-CG2 3.95Å; P273-I283 HydrophobicContact CB-CD1 3.98Å; P273-I283 HydrophobicContact CG-CD1 3.9Å; I278-I283 HydrophobicContact CG2-CD1 3.81Å; I278-I283 HydrophobicContact CG2-CG1 3.73Å; E280-I283 WeakPolarHBondContact O-CB 3.4Å; E280-I283 PolarHBondContact O-N 3.12Å; E280-I283 VanDerWaalsContact O-N 3.11Å; I283-Q285 PolarHBondContact O-N 3.27Å; I283-I286 WeakPolarHBondContact O-CB 3.34Å; I283-I286 PolarHBondContact O-N 3.48Å; I283-I286 VanDerWaalsContact O-N 3.16Å; I283-F287 PolarHBondContact O-N 3.35Å; I283-I330 HydrophobicContact CG1-CG2 4.11Å; I283-I330 HydrophobicContact CG2-CG2 4.14Å; I283-I364 HydrophobicContact CG2-CD1 3.85Å; I283-I379 HydrophobicContact CD1-CD1 3.84Å; I283-I379 HydrophobicContact CD1-CG1 4.24Å; I283-I379 HydrophobicContact CG2-CD1 4.4Å; I283-I379 HydrophobicContact CG2-CG1 4.42Å; I283-I379 HydrophobicContact CG2-CG2 4.31Å
284D95.5Very high90.9Very high0 Ų035.5 Ų35.50%017%0.172CC..Hα-helixtrans-67.6-32.1179.6-169.444.5000113.3E280 V282 F287 H288 G363 I364 W476 R479 F480E280-D284 WeakPolarHBondContact O-CB 2.83Å; E280-D284 PolarHBondContact O-N 3.32Å; V282-D284 VanDerWaalsContact C-N 3.34Å; D284-F287 PolarHBondContact O-N 3.16Å; D284-F287 WeakPolarHBondContact OD1-CD1 3.13Å; D284-H288 VanDerWaalsContact O-CB 3.25Å; D284-H288 WeakPolarHBondContact O-CB 3.14Å; D284-H288 PolarHBondContact O-N 2.92Å; D284-G363 WeakPolarHBondContact OD1-CA 3.48Å; D284-I364 HydrophobicContact CB-CG1 4.13Å; D284-I364 WeakPolarHBondContact CB-O 3.07Å; D284-I364 WeakPolarHBondContact OD1-CG1 3.06Å; D284-I364 PolarHBondContact OD1-N 3.29Å; D284-W476 HydrophobicContact CB-CH2 4.35Å; D284-R479 IonicContact OD1-NH2 3.73Å; D284-R479 IonicContact OD2-CZ 2.75Å; D284-R479 IonicContact OD2-NE 2.76Å; D284-R479 PolarHBondContact OD2-NE 3.23Å; D284-R479 IonicContact OD2-NH2 3.35Å; D284-R479 PolarHBondContact OD2-NH2 2.93Å; D284-F480 HydrophobicContact CB-CZ 4.48Å; D284-F480 WeakPolarHBondContact OD2-CZ 3.23Å
285Q92.3Very high91.3Very high41 Ų4130.3 Ų30.319%0.19215%0.145CC..Hα-helixtrans-62.7-43.1169.9-81.316761.900112.5N281 V282 I283 F287 H288 W289 F480 M483N281-Q285 WeakPolarHBondContact O-CB 3.41Å; N281-Q285 VanDerWaalsContact O-CG 3.23Å; N281-Q285 WeakPolarHBondContact O-CG 3.43Å; N281-Q285 PolarHBondContact O-N 3.49Å; N281-Q285 PolarHBondContact O-NE2 2.82Å; V282-Q285 PolarHBondContact O-N 2.71Å; I283-Q285 PolarHBondContact O-N 3.27Å; Q285-F287 VanDerWaalsContact C-N 3.29Å; Q285-F287 PolarHBondContact O-N 2.82Å; Q285-H288 PolarHBondContact O-N 3.08Å; Q285-W289 WeakPolarHBondContact O-CB 3.31Å; Q285-W289 PolarHBondContact O-N 2.98Å; Q285-F480 HydrophobicContact CB-CE1 4.47Å; Q285-F480 HydrophobicContact CG-CD1 3.85Å; Q285-F480 HydrophobicContact CG-CE1 3.5Å; Q285-F480 VanDerWaalsContact CG-CE1 3.5Å; Q285-F480 HydrophobicContact CG-CZ 4.45Å; Q285-M483 PolarHBondContact NE2-SD 3.43Å
286I93.7Very high91.9Very high5 Ų533 Ų333%0.02615%0.153CC..Hα-helixtrans-60.2-45.9175.8-65.4162.8000109.3F271 V282 I283 W289 L290 I321 L325 L327 I330F271-I286 HydrophobicContact CE1-CB 4.27Å; F271-I286 HydrophobicContact CE1-CG2 3.9Å; F271-I286 HydrophobicContact CZ-CG2 4.31Å; V282-I286 WeakPolarHBondContact O-CG1 3.3Å; V282-I286 PolarHBondContact O-N 2.51Å; I283-I286 WeakPolarHBondContact O-CB 3.34Å; I283-I286 PolarHBondContact O-N 3.48Å; I283-I286 VanDerWaalsContact O-N 3.16Å; I286-W289 PolarHBondContact O-N 2.91Å; I286-L290 WeakPolarHBondContact O-CB 3.43Å; I286-L290 PolarHBondContact O-N 2.72Å; I286-I321 HydrophobicContact CD1-CG2 4.4Å; I286-I321 HydrophobicContact CG1-CG2 3.99Å; I286-I321 HydrophobicContact CG2-CD1 4.03Å; I286-I321 HydrophobicContact CG2-CG2 4.09Å; I286-L325 HydrophobicContact CD1-CD1 3.58Å; I286-L325 HydrophobicContact CG1-CD1 3.35Å; I286-L327 HydrophobicContact CD1-CD2 3.94Å; I286-I330 HydrophobicContact CD1-CD1 3.61Å; I286-I330 HydrophobicContact CD1-CG2 4.22Å
287F95.9Very high92.6Very high0 Ų033.6 Ų33.60%015%0.153CC..Hα-helixtrans-60.4-49.8176.9169.1-104.9000112.7I267 F271 I283 D284 Q285 W289 L290 I291 I359 I364 L381I267-F287 HydrophobicContact CD1-CD2 4.41Å; I267-F287 HydrophobicContact CD1-CE2 3.56Å; I267-F287 HydrophobicContact CD1-CZ 3.94Å; I267-F287 HydrophobicContact CG1-CD2 4.45Å; I267-F287 HydrophobicContact CG1-CE2 3.93Å; F271-F287 HydrophobicContact CE2-CB 4.17Å; F271-F287 HydrophobicContact CE2-CD2 4.1Å; F271-F287 HydrophobicContact CZ-CB 3.88Å; I283-F287 PolarHBondContact O-N 3.35Å; D284-F287 PolarHBondContact O-N 3.16Å; D284-F287 WeakPolarHBondContact OD1-CD1 3.13Å; Q285-F287 VanDerWaalsContact C-N 3.29Å; Q285-F287 PolarHBondContact O-N 2.82Å; F287-W289 VanDerWaalsContact C-N 3.29Å; F287-W289 PolarHBondContact O-N 2.87Å; F287-L290 PolarHBondContact O-N 3.22Å; F287-L290 VanDerWaalsContact O-N 3.08Å; F287-I291 HydrophobicContact CD1-CD1 4.02Å; F287-I291 HydrophobicContact CD2-CG2 3.82Å; F287-I291 HydrophobicContact CE1-CD1 3.6Å; F287-I291 HydrophobicContact CE1-CG2 4.49Å; F287-I291 HydrophobicContact CE2-CD1 4.37Å; F287-I291 HydrophobicContact CE2-CG2 3.42Å; F287-I291 VanDerWaalsContact CE2-CG2 3.42Å; F287-I291 HydrophobicContact CZ-CD1 3.81Å; F287-I291 HydrophobicContact CZ-CG2 3.81Å; F287-I291 WeakPolarHBondContact O-CG1 3.06Å; F287-I291 PolarHBondContact O-N 2.7Å; F287-I359 HydrophobicContact CE1-CG2 4.46Å; F287-I359 HydrophobicContact CZ-CG2 3.84Å; F287-I364 HydrophobicContact CB-CD1 3.29Å; F287-I364 HydrophobicContact CB-CG1 3.68Å; F287-I364 HydrophobicContact CD1-CB 4.39Å; F287-I364 HydrophobicContact CD1-CD1 4.36Å; F287-I364 HydrophobicContact CD1-CG1 3.97Å; F287-I364 HydrophobicContact CD1-CG2 3.77Å; F287-I364 HydrophobicContact CD2-CD1 4.08Å; F287-I364 HydrophobicContact CD2-CG2 3.9Å; F287-I364 HydrophobicContact CE1-CG2 3.79Å; F287-I364 HydrophobicContact CE2-CG2 3.91Å; F287-I364 HydrophobicContact CG-CB 4.45Å; F287-I364 HydrophobicContact CG-CD1 3.68Å; F287-I364 HydrophobicContact CG-CG1 3.81Å; F287-I364 HydrophobicContact CG-CG2 3.83Å; F287-I364 HydrophobicContact CZ-CG2 3.84Å; F287-L381 HydrophobicContact CZ-CD2 4.11Å
288H95Very high93.1Very high49 Ų4926.4 Ų26.423%0.22713%0.125CC..Hα-helixtrans-54.7-45.8177.4-175.797.2000111.7D284 Q285 I291 Q292 S360 F480D284-H288 VanDerWaalsContact O-CB 3.25Å; D284-H288 WeakPolarHBondContact O-CB 3.14Å; D284-H288 PolarHBondContact O-N 2.92Å; Q285-H288 PolarHBondContact O-N 3.08Å; H288-I291 VanDerWaalsContact O-CG1 3.32Å; H288-I291 WeakPolarHBondContact O-CG1 3.36Å; H288-Q292 PolarHBondContact CD2-NE2 3.01Å; H288-Q292 PolarHBondContact NE2-NE2 2.81Å; H288-Q292 VanDerWaalsContact O-CG 3.3Å; H288-Q292 WeakPolarHBondContact O-CG 3.4Å; H288-Q292 PolarHBondContact O-N 3.19Å; H288-S360 PolarHBondContact CE1-OG 3.35Å; H288-S360 PolarHBondContact ND1-O 3.24Å; H288-S360 PolarHBondContact ND1-OG 2.83Å; H288-F480 HydrophobicContact CB-CE2 4.26Å; H288-F480 HydrophobicContact CB-CZ 4.09Å; H288-F480 AromaticContact CG-CE2 3.99Å; H288-F480 AromaticContact ND1-CE2 3.55Å
289W93.4Very high93.3Very high53 Ų5328.8 Ų28.820%0.20114%0.136CC..Hα-helixtrans-64.7-46.7174.917887.3000111.8Q285 I286 F287 Q292 Q293 L317 K320 I321Q285-W289 WeakPolarHBondContact O-CB 3.31Å; Q285-W289 PolarHBondContact O-N 2.98Å; I286-W289 PolarHBondContact O-N 2.91Å; F287-W289 VanDerWaalsContact C-N 3.29Å; F287-W289 PolarHBondContact O-N 2.87Å; W289-Q292 WeakPolarHBondContact O-CB 3.02Å; W289-Q292 PolarHBondContact O-N 3.26Å; W289-Q293 HydrophobicContact CD2-CG 3.8Å; W289-Q293 VanDerWaalsContact CE2-CG 3.5Å; W289-Q293 HydrophobicContact CE3-CG 3.99Å; W289-Q293 HydrophobicContact CH2-CG 3.7Å; W289-Q293 HydrophobicContact CZ2-CG 3.48Å; W289-Q293 VanDerWaalsContact CZ2-CG 3.48Å; W289-Q293 HydrophobicContact CZ3-CG 3.9Å; W289-Q293 WeakPolarHBondContact O-CG 3.46Å; W289-Q293 PolarHBondContact O-N 3.08Å; W289-L317 HydrophobicContact CH2-CB 3.96Å; W289-L317 HydrophobicContact CH2-CD2 3.68Å; W289-L317 HydrophobicContact CH2-CG 4.44Å; W289-L317 WeakPolarHBondContact CH2-O 3.27Å; W289-L317 HydrophobicContact CZ2-CD2 4.24Å; W289-L317 HydrophobicContact CZ3-CB 4.39Å; W289-L317 HydrophobicContact CZ3-CD2 4.45Å; W289-K320 HydrophobicContact CZ2-CB 4.38Å; W289-K320 HydrophobicContact CZ2-CD 3.97Å; W289-K320 HydrophobicContact CZ2-CG 4.24Å; W289-I321 HydrophobicContact CD2-CG1 4.21Å; W289-I321 HydrophobicContact CE3-CD1 3.53Å; W289-I321 HydrophobicContact CE3-CG1 3.46Å; W289-I321 VanDerWaalsContact CE3-CG1 3.46Å; W289-I321 HydrophobicContact CH2-CD1 4.06Å; W289-I321 HydrophobicContact CH2-CG1 3.7Å; W289-I321 HydrophobicContact CZ2-CG1 4.4Å; W289-I321 HydrophobicContact CZ3-CD1 3.17Å; W289-I321 HydrophobicContact CZ3-CG1 3.21Å
290L94.8Very high93.2Very high2 Ų232.2 Ų32.21%0.0114%0.144CC..Hα-helixtrans-60.7-50.3-175.217664000111.8F271 I286 F287 Q292 Q293 I294 I339F271-L290 HydrophobicContact CZ-CD2 4.37Å; I286-L290 WeakPolarHBondContact O-CB 3.43Å; I286-L290 PolarHBondContact O-N 2.72Å; F287-L290 PolarHBondContact O-N 3.22Å; F287-L290 VanDerWaalsContact O-N 3.08Å; L290-Q292 VanDerWaalsContact C-N 3.27Å; L290-Q292 PolarHBondContact O-N 2.93Å; L290-Q293 PolarHBondContact O-N 3.34Å; L290-Q293 VanDerWaalsContact O-N 3.13Å; L290-I294 HydrophobicContact CD1-CD1 4.1Å; L290-I294 HydrophobicContact CD1-CG1 4.35Å; L290-I294 HydrophobicContact CG-CD1 3.96Å; L290-I294 WeakPolarHBondContact O-CG1 3.38Å; L290-I294 PolarHBondContact O-N 2.92Å; L290-I339 HydrophobicContact CD1-CD1 4.29Å; L290-I339 HydrophobicContact CD1-CG2 4.04Å; L290-I339 HydrophobicContact CD2-CD1 4.14Å; L290-I339 HydrophobicContact CD2-CG1 4.09Å
291I96.3Very high92.7Very high0 Ų033.8 Ų33.80%015%0.152CC..Hα-helixtrans-64.2-33.5179.864.1-165.4000112.1F287 H288 I294 Y295 L342 F346F287-I291 HydrophobicContact CD1-CD1 4.02Å; F287-I291 HydrophobicContact CD2-CG2 3.82Å; F287-I291 HydrophobicContact CE1-CD1 3.6Å; F287-I291 HydrophobicContact CE1-CG2 4.49Å; F287-I291 HydrophobicContact CE2-CD1 4.37Å; F287-I291 HydrophobicContact CE2-CG2 3.42Å; F287-I291 VanDerWaalsContact CE2-CG2 3.42Å; F287-I291 HydrophobicContact CZ-CD1 3.81Å; F287-I291 HydrophobicContact CZ-CG2 3.81Å; F287-I291 WeakPolarHBondContact O-CG1 3.06Å; F287-I291 PolarHBondContact O-N 2.7Å; H288-I291 VanDerWaalsContact O-CG1 3.32Å; H288-I291 WeakPolarHBondContact O-CG1 3.36Å; I291-I294 PolarHBondContact O-N 2.82Å; I291-Y295 VanDerWaalsContact O-CB 3.32Å; I291-Y295 WeakPolarHBondContact O-CB 3.46Å; I291-Y295 PolarHBondContact O-N 2.89Å; I291-L342 HydrophobicContact CG2-CD2 4.42Å; I291-F346 HydrophobicContact CB-CE2 4.39Å; I291-F346 HydrophobicContact CG2-CZ 4.43Å
292Q94.7Very high92Very high54 Ų5443 Ų4325%0.25219%0.192SC..Hα-helixtrans-65.5-44.6172.6-74.9178.6-2.700111.3H288 W289 L290 I294 Y295 F296 M356H288-Q292 PolarHBondContact CD2-NE2 3.01Å; H288-Q292 PolarHBondContact NE2-NE2 2.81Å; H288-Q292 VanDerWaalsContact O-CG 3.3Å; H288-Q292 WeakPolarHBondContact O-CG 3.4Å; H288-Q292 PolarHBondContact O-N 3.19Å; W289-Q292 WeakPolarHBondContact O-CB 3.02Å; W289-Q292 PolarHBondContact O-N 3.26Å; L290-Q292 VanDerWaalsContact C-N 3.27Å; L290-Q292 PolarHBondContact O-N 2.93Å; Q292-I294 PolarHBondContact O-N 3.02Å; Q292-Y295 PolarHBondContact O-N 2.93Å; Q292-F296 HydrophobicContact CB-CD2 4.42Å; Q292-F296 HydrophobicContact CB-CE2 4.23Å; Q292-F296 WeakPolarHBondContact O-CD2 3.32Å; Q292-F296 WeakPolarHBondContact O-CG 3.43Å; Q292-F296 PolarHBondContact O-N 2.82Å; Q292-M356 HydrophobicContact CG-SD 4.06Å
293Q93.6Very high91.3Very high50 Ų5046.9 Ų46.923%0.23421%0.212CC..Hα-helixtrans-62.7-42.6176.7-63.4-48-65.500111.8W289 L290 Y295 F296 H297 L317W289-Q293 HydrophobicContact CD2-CG 3.8Å; W289-Q293 VanDerWaalsContact CE2-CG 3.5Å; W289-Q293 HydrophobicContact CE3-CG 3.99Å; W289-Q293 HydrophobicContact CH2-CG 3.7Å; W289-Q293 HydrophobicContact CZ2-CG 3.48Å; W289-Q293 VanDerWaalsContact CZ2-CG 3.48Å; W289-Q293 HydrophobicContact CZ3-CG 3.9Å; W289-Q293 WeakPolarHBondContact O-CG 3.46Å; W289-Q293 PolarHBondContact O-N 3.08Å; L290-Q293 PolarHBondContact O-N 3.34Å; L290-Q293 VanDerWaalsContact O-N 3.13Å; Q293-Y295 VanDerWaalsContact C-N 3.35Å; Q293-Y295 PolarHBondContact O-N 2.73Å; Q293-F296 PolarHBondContact O-N 3.06Å; Q293-H297 VanDerWaalsContact O-CB 3.31Å; Q293-H297 WeakPolarHBondContact O-CB 3.44Å; Q293-H297 PolarHBondContact O-N 3.02Å; Q293-L317 HydrophobicContact CB-CD2 3.84Å; Q293-L317 HydrophobicContact CG-CD2 3.88Å
294I94.7Very high90.3Very high0 Ų054.2 Ų54.20%025%0.251CS..Hα-helixtrans-58.7-48.4175.2-71.4172.6000110.3L290 I291 Q292 H297 I298 I309 I339 L342 N343 F346L290-I294 HydrophobicContact CD1-CD1 4.1Å; L290-I294 HydrophobicContact CD1-CG1 4.35Å; L290-I294 HydrophobicContact CG-CD1 3.96Å; L290-I294 WeakPolarHBondContact O-CG1 3.38Å; L290-I294 PolarHBondContact O-N 2.92Å; I291-I294 PolarHBondContact O-N 2.82Å; Q292-I294 PolarHBondContact O-N 3.02Å; I294-H297 PolarHBondContact O-N 3.35Å; I294-I298 HydrophobicContact CG2-CD1 3.95Å; I294-I298 WeakPolarHBondContact O-CG1 3.38Å; I294-I298 PolarHBondContact O-N 2.76Å; I294-I298 VanDerWaalsContact O-N 3.07Å; I294-I309 HydrophobicContact CG1-CD1 3.87Å; I294-I339 HydrophobicContact CD1-CG2 4.26Å; I294-L342 HydrophobicContact CD1-CB 4.29Å; I294-L342 HydrophobicContact CD1-CD2 3.69Å; I294-L342 HydrophobicContact CD1-CG 3.92Å; I294-N343 HydrophobicContact CG2-CB 3.95Å; I294-F346 HydrophobicContact CG2-CB 4.36Å; I294-F346 HydrophobicContact CG2-CD2 3.9Å; I294-F346 HydrophobicContact CG2-CG 4.29Å
295Y95.2Very high89.6Confident16 Ų1661 Ų616%0.06328%0.282CS..Hα-helixtrans-60.7-48.9178.5179.9-88000112I291 Q292 Q293 H297 I298 H299 Y300 I351 Y353 M356I291-Y295 VanDerWaalsContact O-CB 3.32Å; I291-Y295 WeakPolarHBondContact O-CB 3.46Å; I291-Y295 PolarHBondContact O-N 2.89Å; Q292-Y295 PolarHBondContact O-N 2.93Å; Q293-Y295 VanDerWaalsContact C-N 3.35Å; Q293-Y295 PolarHBondContact O-N 2.73Å; Y295-H297 VanDerWaalsContact C-N 3.28Å; Y295-H297 PolarHBondContact O-N 2.78Å; Y295-I298 PolarHBondContact O-N 2.94Å; Y295-H299 AromaticContact CD2-CD2 3.6Å; Y295-H299 AromaticContact CD2-NE2 3.85Å; Y295-H299 HydrophobicContact CE1-CB 4.47Å; Y295-H299 AromaticContact CE1-CD2 3.88Å; Y295-H299 AromaticContact CE2-CD2 3.25Å; Y295-H299 WeakPolarHBondContact CE2-CD2 3.37Å; Y295-H299 AromaticContact CE2-NE2 3.3Å; Y295-H299 VanDerWaalsContact CE2-NE2 3.3Å; Y295-H299 WeakPolarHBondContact CE2-NE2 3.48Å; Y295-H299 AromaticContact CZ-CD2 3.37Å; Y295-H299 AromaticContact CZ-NE2 3.74Å; Y295-H299 PolarHBondContact O-CD2 3.21Å; Y295-H299 PolarHBondContact O-N 2.88Å; Y295-H299 VanDerWaalsContact O-N 3.12Å; Y295-Y300 HydrophobicContact CE1-CE2 4.27Å; Y295-I351 WeakPolarHBondContact CE2-O 3.38Å; Y295-Y353 HydrophobicContact CD1-CD2 4.24Å; Y295-Y353 AromaticContact CE1-CD2 3.64Å; Y295-Y353 HydrophobicContact CE1-CD2 3.64Å; Y295-Y353 HydrophobicContact CE1-CG 4.47Å; Y295-Y353 AromaticContact CZ-CD2 3.95Å; Y295-Y353 WeakPolarHBondContact OH-CA 3.47Å; Y295-Y353 WeakPolarHBondContact OH-CB 3.32Å; Y295-Y353 PolarHBondContact OH-N 3.35Å; Y295-M356 HydrophobicContact CD1-CE 4.05Å; Y295-M356 HydrophobicContact CD2-CB 3.79Å; Y295-M356 HydrophobicContact CD2-CE 4.44Å; Y295-M356 HydrophobicContact CD2-CG 4Å; Y295-M356 HydrophobicContact CE2-CB 4.34Å; Y295-M356 HydrophobicContact CG-CB 4.31Å; Y295-M356 HydrophobicContact CG-CE 4.01Å; Y295-M356 HydrophobicContact CG-CG 4.04Å
296F92.8Very high89.1Confident85 Ų8563.8 Ų63.837%0.37329%0.294SS..Hα-helixtrans-63.1-36.5178.9-72.1-52.2000112.2Q292 Q293 Y300Q292-F296 HydrophobicContact CB-CD2 4.42Å; Q292-F296 HydrophobicContact CB-CE2 4.23Å; Q292-F296 WeakPolarHBondContact O-CD2 3.32Å; Q292-F296 WeakPolarHBondContact O-CG 3.43Å; Q292-F296 PolarHBondContact O-N 2.82Å; Q293-F296 PolarHBondContact O-N 3.06Å; F296-Y300 AromaticContact CD1-CD2 3.65Å; F296-Y300 HydrophobicContact CD1-CD2 3.65Å; F296-Y300 AromaticContact CD1-CE2 3.79Å; F296-Y300 HydrophobicContact CD1-CE2 3.79Å; F296-Y300 HydrophobicContact CE1-CD2 4.44Å; F296-Y300 HydrophobicContact CE1-CE2 4.15Å; F296-Y300 WeakPolarHBondContact O-CA 3.26Å; F296-Y300 WeakPolarHBondContact O-CB 3.38Å; F296-Y300 PolarHBondContact O-N 3.47Å
297H91.2Very high88.7Confident32 Ų3265 Ų6515%0.14830%0.303CS..Hα-helixtrans-62.4-45.4175.5-173.681.6000112Q293 I294 Y295 H299 N301 S307 I309 Q313Q293-H297 VanDerWaalsContact O-CB 3.31Å; Q293-H297 WeakPolarHBondContact O-CB 3.44Å; Q293-H297 PolarHBondContact O-N 3.02Å; I294-H297 PolarHBondContact O-N 3.35Å; Y295-H297 VanDerWaalsContact C-N 3.28Å; Y295-H297 PolarHBondContact O-N 2.78Å; H297-H299 PolarHBondContact O-N 3.13Å; H297-N301 WeakPolarHBondContact O-CB 3.03Å; H297-S307 PolarHBondContact CD2-O 3.06Å; H297-S307 PolarHBondContact NE2-OG 3.41Å; H297-I309 HydrophobicContact CB-CD1 4.31Å; H297-I309 HydrophobicContact CB-CG1 4.15Å; H297-I309 WeakPolarHBondContact CD2-CG1 3.43Å; H297-Q313 PolarHBondContact CE1-OE1 3.33Å; H297-Q313 PolarHBondContact NE2-OE1 3.24Å
298I92.2Very high88.3Confident6 Ų668.6 Ų68.63%0.03132%0.322CS..Hα-helixtrans-64.1-41.2-179.8-66.8164.6000111.6I294 Y295 K306 N343 F346 M347I294-I298 HydrophobicContact CG2-CD1 3.95Å; I294-I298 WeakPolarHBondContact O-CG1 3.38Å; I294-I298 PolarHBondContact O-N 2.76Å; I294-I298 VanDerWaalsContact O-N 3.07Å; Y295-I298 PolarHBondContact O-N 2.94Å; I298-K306 HydrophobicContact CG2-CD 4.4Å; I298-K306 HydrophobicContact CG2-CG 4.23Å; I298-N343 WeakPolarHBondContact CD1-ND2 3.38Å; I298-N343 WeakPolarHBondContact CG1-ND2 3.48Å; I298-F346 HydrophobicContact CD1-CB 3.55Å; I298-M347 HydrophobicContact CD1-CB 4.35Å
299H91Very high88Confident68 Ų6866.4 Ų66.432%0.31531%0.311SS..Hα-helixtrans-101.3-22.4-167.4-69.6-78.9000115.2Y295 H297 I351Y295-H299 AromaticContact CD2-CD2 3.6Å; Y295-H299 AromaticContact CD2-NE2 3.85Å; Y295-H299 HydrophobicContact CE1-CB 4.47Å; Y295-H299 AromaticContact CE1-CD2 3.88Å; Y295-H299 AromaticContact CE2-CD2 3.25Å; Y295-H299 WeakPolarHBondContact CE2-CD2 3.37Å; Y295-H299 AromaticContact CE2-NE2 3.3Å; Y295-H299 VanDerWaalsContact CE2-NE2 3.3Å; Y295-H299 WeakPolarHBondContact CE2-NE2 3.48Å; Y295-H299 AromaticContact CZ-CD2 3.37Å; Y295-H299 AromaticContact CZ-NE2 3.74Å; Y295-H299 PolarHBondContact O-CD2 3.21Å; Y295-H299 PolarHBondContact O-N 2.88Å; Y295-H299 VanDerWaalsContact O-N 3.12Å; H297-H299 PolarHBondContact O-N 3.13Å; H299-I351 PolarHBondContact NE2-O 2.92Å
300Y87.1Confident87.9Confident160 Ų16067.3 Ų67.363%0.62732%0.32SS*.Hα-helixtrans-123.220-174.1-63-88.7000113.9Y295 F296Y295-Y300 HydrophobicContact CE1-CE2 4.27Å; F296-Y300 AromaticContact CD1-CD2 3.65Å; F296-Y300 HydrophobicContact CD1-CD2 3.65Å; F296-Y300 AromaticContact CD1-CE2 3.79Å; F296-Y300 HydrophobicContact CD1-CE2 3.79Å; F296-Y300 HydrophobicContact CE1-CD2 4.44Å; F296-Y300 HydrophobicContact CE1-CE2 4.15Å; F296-Y300 WeakPolarHBondContact O-CA 3.26Å; F296-Y300 WeakPolarHBondContact O-CB 3.38Å; F296-Y300 PolarHBondContact O-N 3.47Å
301N80.1Confident87.7Confident42 Ų4272.7 Ų72.723%0.22535%0.345CS..  trans-63.1139.7173.1-162.7-9.1000110.7H297 N303 N304 S307H297-N301 WeakPolarHBondContact O-CB 3.03Å; N301-N303 PolarHBondContact O-N 2.88Å; N301-N304 PolarHBondContact O-N 3.41Å; N301-S307 PolarHBondContact ND2-OG 3.3Å
302K76.7Confident87.4Confident199 Ų19978.5 Ų78.587%0.86538%0.376SS*.THydrogen-bonded Turntrans-53.5-23.5-171.8-71.3-177.1177.5178.30114.7
303N77.2Confident87.2Confident122 Ų12278.6 Ų78.665%0.65238%0.377SS*.THydrogen-bonded Turntrans-922.1-178.4-65.4-16.1000113.6N301 Q305N301-N303 PolarHBondContact O-N 2.88Å; N303-Q305 PolarHBondContact O-N 3.28Å
304N73.2Confident87.1Confident155 Ų15576.2 Ų76.283%0.82937%0.365SS*.SBendtrans52.816.2-171.4-66.3-19000114.1N301N301-N304 PolarHBondContact O-N 3.41Å
305Q81.4Confident86.9Confident141 Ų14179 Ų7966%0.65938%0.38SS*.SBendtrans-101128.2175-71.2-179.8-7.800108N303 S307N303-Q305 PolarHBondContact O-N 3.28Å; Q305-S307 PolarHBondContact O-N 3.28Å; Q305-S307 VanDerWaalsContact O-N 3.13Å
306K81Confident86.6Confident100 Ų10083.8 Ų83.844%0.43541%0.406SS..  trans-61.1114.3169.6-65.8-177178.8-178.30107.6I298 M347I298-K306 HydrophobicContact CG2-CD 4.4Å; I298-K306 HydrophobicContact CG2-CG 4.23Å; K306-M347 HydrophobicContact CB-CE 4.12Å; K306-M347 HydrophobicContact CB-CG 4.33Å; K306-M347 HydrophobicContact CB-SD 4.05Å; K306-M347 HydrophobicContact CD-CG 4.44Å
307S85.7Confident86.4Confident31 Ų3180.8 Ų80.822%0.21739%0.393CS..  trans-116.1148177.655.60000110.8H297 N301 Q305H297-S307 PolarHBondContact CD2-O 3.06Å; H297-S307 PolarHBondContact NE2-OG 3.41Å; N301-S307 PolarHBondContact ND2-OG 3.3Å; Q305-S307 PolarHBondContact O-N 3.28Å; Q305-S307 VanDerWaalsContact O-N 3.13Å
308I87.5Confident86.3Confident76 Ų7680 Ų8039%0.3939%0.39SS..PPolyproline II helixtrans-75.5138.4166.1-62.2167.1000107.6D310 I340 N343 E344 M347I308-D310 PolarHBondContact O-N 2.88Å; I308-I340 HydrophobicContact CG2-CG2 3.86Å; I308-N343 WeakPolarHBondContact CA-OD1 3.12Å; I308-E344 HydrophobicContact CD1-CG 3.86Å; I308-E344 HydrophobicContact CG1-CG 4.1Å; I308-E344 HydrophobicContact CG2-CG 4.16Å; I308-M347 HydrophobicContact CG1-SD 4.11Å
309I89.2Confident86.2Confident2 Ų286 Ų861%0.0142%0.416CS..PPolyproline II helixtrans-61.9117.3174-64.1171.2000107.8I294 H297 Q313 L314 L317 N343I294-I309 HydrophobicContact CG1-CD1 3.87Å; H297-I309 HydrophobicContact CB-CD1 4.31Å; H297-I309 HydrophobicContact CB-CG1 4.15Å; H297-I309 WeakPolarHBondContact CD2-CG1 3.43Å; I309-Q313 HydrophobicContact CG2-CB 3.86Å; I309-L314 HydrophobicContact CG2-CB 3.89Å; I309-L317 HydrophobicContact CD1-CD1 4.08Å; I309-L317 HydrophobicContact CG2-CD1 4.35Å; I309-N343 HydrophobicContact CD1-CB 4.15Å; I309-N343 HydrophobicContact CG1-CB 4.44Å; I309-N343 PolarHBondContact N-OD1 3.1Å
310D90.3Very high85.9Confident72 Ų7288.6 Ų88.639%0.38543%0.426SS..PPolyproline II helixtrans-76.9168.6174.165.347000111.7I308 D312 Q313 L314I308-D310 PolarHBondContact O-N 2.88Å; D310-D312 VanDerWaalsContact C-N 3.28Å; D310-D312 PolarHBondContact O-N 3.12Å; D310-D312 PolarHBondContact OD1-N 2.87Å; D310-Q313 PolarHBondContact O-N 3.09Å; D310-Q313 WeakPolarHBondContact OD1-CB 3.34Å; D310-Q313 VanDerWaalsContact OD1-CG 3.23Å; D310-Q313 WeakPolarHBondContact OD1-CG 3.3Å; D310-Q313 PolarHBondContact OD1-N 3.16Å; D310-Q313 VanDerWaalsContact OD2-CD 3.24Å; D310-Q313 PolarHBondContact OD2-NE2 3.2Å; D310-Q313 VanDerWaalsContact OD2-NE2 3.15Å; D310-L314 WeakPolarHBondContact O-CB 3.27Å; D310-L314 PolarHBondContact O-N 2.95Å
311H89.9Confident85.7Confident116 Ų11681.6 Ų81.654%0.53740%0.399SS..Hα-helixtrans-59.5-36.6-178.9-79.4-71.1000113.2L314 D315H311-L314 PolarHBondContact O-N 3.09Å; H311-D315 WeakPolarHBondContact O-CB 3.48Å; H311-D315 PolarHBondContact O-N 2.96Å
312D91.5Very high85.7Confident121 Ų12183.7 Ų83.765%0.64741%0.411SS*.Hα-helixtrans-69.7-42.1-178.6-69-28.5000111.1D310 D315 I316D310-D312 VanDerWaalsContact C-N 3.28Å; D310-D312 PolarHBondContact O-N 3.12Å; D310-D312 PolarHBondContact OD1-N 2.87Å; D312-D315 PolarHBondContact O-N 3.22Å; D312-I316 VanDerWaalsContact O-CG1 3.32Å; D312-I316 WeakPolarHBondContact O-CG1 3.23Å; D312-I316 PolarHBondContact O-N 2.75Å; D312-I316 VanDerWaalsContact O-N 3.08Å
313Q90.2Very high85.6Confident57 Ų5783.1 Ų83.127%0.26641%0.408SS..Hα-helixtrans-64.7-42.1174.9-69.8168.21.400111.4H297 I309 D310 I316 L317H297-Q313 PolarHBondContact CE1-OE1 3.33Å; H297-Q313 PolarHBondContact NE2-OE1 3.24Å; I309-Q313 HydrophobicContact CG2-CB 3.86Å; D310-Q313 PolarHBondContact O-N 3.09Å; D310-Q313 WeakPolarHBondContact OD1-CB 3.34Å; D310-Q313 VanDerWaalsContact OD1-CG 3.23Å; D310-Q313 WeakPolarHBondContact OD1-CG 3.3Å; D310-Q313 PolarHBondContact OD1-N 3.16Å; D310-Q313 VanDerWaalsContact OD2-CD 3.24Å; D310-Q313 PolarHBondContact OD2-NE2 3.2Å; D310-Q313 VanDerWaalsContact OD2-NE2 3.15Å; Q313-I316 WeakPolarHBondContact O-CB 3.06Å; Q313-I316 PolarHBondContact O-N 3.47Å; Q313-L317 WeakPolarHBondContact O-CG 3.21Å; Q313-L317 PolarHBondContact O-N 3.06Å
314L91.5Very high85.2Confident0 Ų081.8 Ų81.80%040%0.404CS..Hα-helixtrans-62.1-44.4175.4-177.156.5000111.2I309 D310 H311 I316 L317 I318 Q336 I339 I340I309-L314 HydrophobicContact CG2-CB 3.89Å; D310-L314 WeakPolarHBondContact O-CB 3.27Å; D310-L314 PolarHBondContact O-N 2.95Å; H311-L314 PolarHBondContact O-N 3.09Å; L314-I316 PolarHBondContact O-N 2.72Å; L314-L317 WeakPolarHBondContact O-CB 3.35Å; L314-L317 PolarHBondContact O-N 3.44Å; L314-L317 VanDerWaalsContact O-N 3.09Å; L314-I318 HydrophobicContact CD1-CD1 4.3Å; L314-I318 HydrophobicContact CD1-CG1 3.96Å; L314-I318 HydrophobicContact CG-CG1 4.2Å; L314-I318 WeakPolarHBondContact O-CB 3.47Å; L314-I318 VanDerWaalsContact O-CG1 3.27Å; L314-I318 WeakPolarHBondContact O-CG1 3.35Å; L314-I318 PolarHBondContact O-N 2.94Å; L314-Q336 HydrophobicContact CD2-CB 3.67Å; L314-Q336 HydrophobicContact CD2-CG 4Å; L314-Q336 WeakPolarHBondContact CD2-O 3.42Å; L314-I339 HydrophobicContact CD1-CB 4.09Å; L314-I339 HydrophobicContact CD1-CD1 4.07Å; L314-I339 HydrophobicContact CD1-CG2 3.51Å; L314-I339 HydrophobicContact CD2-CB 4.41Å; L314-I339 HydrophobicContact CD2-CG2 4.49Å; L314-I340 HydrophobicContact CD2-CD1 4.25Å; L314-I340 HydrophobicContact CD2-CG1 4.04Å
315D90Very high85.1Confident57 Ų5776.7 Ų76.731%0.30538%0.377SS..Hα-helixtrans-59.1-36.9175.7-86-3.2000112.1H311 D312 K319 Q336H311-D315 WeakPolarHBondContact O-CB 3.48Å; H311-D315 PolarHBondContact O-N 2.96Å; D312-D315 PolarHBondContact O-N 3.22Å; D315-K319 VanDerWaalsContact O-CB 3.26Å; D315-K319 WeakPolarHBondContact O-CB 3.17Å; D315-K319 WeakPolarHBondContact O-CD 3.32Å; D315-K319 WeakPolarHBondContact O-CG 3.29Å; D315-K319 PolarHBondContact O-N 2.91Å; D315-Q336 PolarHBondContact OD1-NE2 3.22Å
316I89.9Confident84.7Confident117 Ų11777 Ų7760%0.638%0.379SS*.Hα-helixtrans-66-44.9174.2-66.7162.1000111D312 Q313 L314 K320D312-I316 VanDerWaalsContact O-CG1 3.32Å; D312-I316 WeakPolarHBondContact O-CG1 3.23Å; D312-I316 PolarHBondContact O-N 2.75Å; D312-I316 VanDerWaalsContact O-N 3.08Å; Q313-I316 WeakPolarHBondContact O-CB 3.06Å; Q313-I316 PolarHBondContact O-N 3.47Å; L314-I316 PolarHBondContact O-N 2.72Å; I316-K320 PolarHBondContact O-N 2.83Å
317L88.8Confident84.7Confident23 Ų2372.6 Ų72.612%0.1236%0.36CS..Hα-helixtrans-60.2-48.7176.7-71.1172.5000111.3W289 Q293 I309 Q313 L314 K320 I321W289-L317 HydrophobicContact CH2-CB 3.96Å; W289-L317 HydrophobicContact CH2-CD2 3.68Å; W289-L317 HydrophobicContact CH2-CG 4.44Å; W289-L317 WeakPolarHBondContact CH2-O 3.27Å; W289-L317 HydrophobicContact CZ2-CD2 4.24Å; W289-L317 HydrophobicContact CZ3-CB 4.39Å; W289-L317 HydrophobicContact CZ3-CD2 4.45Å; Q293-L317 HydrophobicContact CB-CD2 3.84Å; Q293-L317 HydrophobicContact CG-CD2 3.88Å; I309-L317 HydrophobicContact CD1-CD1 4.08Å; I309-L317 HydrophobicContact CG2-CD1 4.35Å; Q313-L317 WeakPolarHBondContact O-CG 3.21Å; Q313-L317 PolarHBondContact O-N 3.06Å; L314-L317 WeakPolarHBondContact O-CB 3.35Å; L314-L317 PolarHBondContact O-N 3.44Å; L314-L317 VanDerWaalsContact O-N 3.09Å; L317-K320 WeakPolarHBondContact O-CB 3.37Å; L317-K320 PolarHBondContact O-N 3.1Å; L317-K320 VanDerWaalsContact O-N 3.13Å; L317-I321 PolarHBondContact O-N 2.86Å
318I89Confident84.5Confident14 Ų1476 Ų767%0.07238%0.38CS..Hα-helixtrans-65.7-42.2-179.2-64.7-60.5000111.6L314 K320 I321 N322 L327 Y335 I339L314-I318 HydrophobicContact CD1-CD1 4.3Å; L314-I318 HydrophobicContact CD1-CG1 3.96Å; L314-I318 HydrophobicContact CG-CG1 4.2Å; L314-I318 WeakPolarHBondContact O-CB 3.47Å; L314-I318 VanDerWaalsContact O-CG1 3.27Å; L314-I318 WeakPolarHBondContact O-CG1 3.35Å; L314-I318 PolarHBondContact O-N 2.94Å; I318-K320 PolarHBondContact O-N 2.83Å; I318-I321 HydrophobicContact CD1-CD1 4.22Å; I318-I321 PolarHBondContact O-N 2.93Å; I318-I321 VanDerWaalsContact O-N 3.1Å; I318-N322 WeakPolarHBondContact O-CB 3.43Å; I318-N322 PolarHBondContact O-N 2.78Å; I318-L327 HydrophobicContact CG2-CD1 3.85Å; I318-Y335 HydrophobicContact CD1-CD2 4.25Å; I318-Y335 HydrophobicContact CD1-CE2 3.61Å; I318-Y335 HydrophobicContact CG1-CE2 3.88Å; I318-Y335 HydrophobicContact CG2-CE2 4.29Å; I318-Y335 WeakPolarHBondContact CG2-OH 3.45Å; I318-I339 HydrophobicContact CD1-CD1 3.84Å
319K88.7Confident84.5Confident134 Ų13474.2 Ų74.258%0.58337%0.371SS*.Hα-helixtrans-59-30.9174.5-78.6169.6-173.5165.70112.1D315 K323D315-K319 VanDerWaalsContact O-CB 3.26Å; D315-K319 WeakPolarHBondContact O-CB 3.17Å; D315-K319 WeakPolarHBondContact O-CD 3.32Å; D315-K319 WeakPolarHBondContact O-CG 3.29Å; D315-K319 PolarHBondContact O-N 2.91Å; K319-K323 WeakPolarHBondContact O-CG 3.33Å; K319-K323 PolarHBondContact O-N 3.02Å
320K85.8Confident84.7Confident122 Ų12274.5 Ų74.553%0.5337%0.372SS..Hα-helixtrans-71.2-41.2175.7-173.1168.2169-174.20111.7W289 I316 L317 I318W289-K320 HydrophobicContact CZ2-CB 4.38Å; W289-K320 HydrophobicContact CZ2-CD 3.97Å; W289-K320 HydrophobicContact CZ2-CG 4.24Å; I316-K320 PolarHBondContact O-N 2.83Å; L317-K320 WeakPolarHBondContact O-CB 3.37Å; L317-K320 PolarHBondContact O-N 3.1Å; L317-K320 VanDerWaalsContact O-N 3.13Å; I318-K320 PolarHBondContact O-N 2.83Å
321I83.3Confident84.9Confident12 Ų1272 Ų726%0.06236%0.358CS..Hα-helixtrans-68.4-44.3175.1-56161.3000111.2I286 W289 L317 I318 K323 T324 L325 L327I286-I321 HydrophobicContact CD1-CG2 4.4Å; I286-I321 HydrophobicContact CG1-CG2 3.99Å; I286-I321 HydrophobicContact CG2-CD1 4.03Å; I286-I321 HydrophobicContact CG2-CG2 4.09Å; W289-I321 HydrophobicContact CD2-CG1 4.21Å; W289-I321 HydrophobicContact CE3-CD1 3.53Å; W289-I321 HydrophobicContact CE3-CG1 3.46Å; W289-I321 VanDerWaalsContact CE3-CG1 3.46Å; W289-I321 HydrophobicContact CH2-CD1 4.06Å; W289-I321 HydrophobicContact CH2-CG1 3.7Å; W289-I321 HydrophobicContact CZ2-CG1 4.4Å; W289-I321 HydrophobicContact CZ3-CD1 3.17Å; W289-I321 HydrophobicContact CZ3-CG1 3.21Å; L317-I321 PolarHBondContact O-N 2.86Å; I318-I321 HydrophobicContact CD1-CD1 4.22Å; I318-I321 PolarHBondContact O-N 2.93Å; I318-I321 VanDerWaalsContact O-N 3.1Å; I321-K323 PolarHBondContact O-N 3.06Å; I321-T324 WeakPolarHBondContact O-CA 3.39Å; I321-T324 PolarHBondContact O-N 2.82Å; I321-L325 HydrophobicContact CG2-CD1 4.39Å; I321-L325 PolarHBondContact O-N 2.87Å; I321-L327 HydrophobicContact CB-CD1 3.91Å; I321-L327 HydrophobicContact CB-CD2 4.29Å; I321-L327 HydrophobicContact CB-CG 4.42Å; I321-L327 HydrophobicContact CG2-CD1 3.95Å; I321-L327 HydrophobicContact CG2-CD2 3.42Å; I321-L327 VanDerWaalsContact CG2-CD2 3.42Å; I321-L327 HydrophobicContact CG2-CG 3.92Å
322N79.5Confident85.1Confident86 Ų8666.9 Ų66.946%0.4634%0.336SS..Hα-helixtrans-64.8-25.9-175.1-16244.4000113.4I318 T324 L325 L327I318-N322 WeakPolarHBondContact O-CB 3.43Å; I318-N322 PolarHBondContact O-N 2.78Å; N322-T324 PolarHBondContact O-N 3.02Å; N322-L325 CarbonylContact C-O 3.5Å; N322-L325 WeakPolarHBondContact CA-O 3.45Å; N322-L325 VanDerWaalsContact O-O 3.09Å; N322-L325 PolarHBondContact OD1-O 2.91Å; N322-L327 HydrophobicContact CB-CD1 3.7Å; N322-L327 HydrophobicContact CB-CG 4.21Å
323K74Confident85.1Confident188 Ų18868 Ų6882%0.81734%0.342SS*.THydrogen-bonded Turntrans-66.2-25.5172.8-81-179.8178.6-173.60112.5K319 I321K319-K323 WeakPolarHBondContact O-CG 3.33Å; K319-K323 PolarHBondContact O-N 3.02Å; I321-K323 PolarHBondContact O-N 3.06Å
324T69Low85.4Confident93 Ų9372.1 Ų72.157%0.57136%0.361SS*.THydrogen-bonded Turntrans-98.4-30.9-177.8-50.80000111.4I321 N322 L487I321-T324 WeakPolarHBondContact O-CA 3.39Å; I321-T324 PolarHBondContact O-N 2.82Å; N322-T324 PolarHBondContact O-N 3.02Å; T324-L487 HydrophobicContact CG2-CD2 4.32Å
325L70.6Confident85.5Confident49 Ų4974.7 Ų74.726%0.25737%0.371SS..SBendtrans-141.4145.9-168.3-62.8169.1000112V282 I286 I321 N322 L327V282-L325 HydrophobicContact CG1-CD1 4Å; V282-L325 HydrophobicContact CG1-CD2 3.69Å; V282-L325 HydrophobicContact CG1-CG 4.44Å; I286-L325 HydrophobicContact CD1-CD1 3.58Å; I286-L325 HydrophobicContact CG1-CD1 3.35Å; I321-L325 HydrophobicContact CG2-CD1 4.39Å; I321-L325 PolarHBondContact O-N 2.87Å; N322-L325 CarbonylContact C-O 3.5Å; N322-L325 WeakPolarHBondContact CA-O 3.45Å; N322-L325 VanDerWaalsContact O-O 3.09Å; N322-L325 PolarHBondContact OD1-O 2.91Å; L325-L327 VanDerWaalsContact C-N 3.3Å; L325-L327 PolarHBondContact O-N 3.43Å
326Q74.1Confident85.8Confident147 Ų14774.7 Ų74.769%0.68737%0.369SS*.  trans-7479.1174.6-68-179.30.800110.7T328 D329Q326-T328 PolarHBondContact O-N 3.11Å; Q326-D329 PolarHBondContact O-N 3.06Å
327L80.5Confident86.1Confident8 Ų873.2 Ų73.24%0.04236%0.362CS..G310 helixtrans-63-25.8-172.1-77.1-178.5000115.3I286 I318 I321 N322 L325 D329 I330 L331I286-L327 HydrophobicContact CD1-CD2 3.94Å; I318-L327 HydrophobicContact CG2-CD1 3.85Å; I321-L327 HydrophobicContact CB-CD1 3.91Å; I321-L327 HydrophobicContact CB-CD2 4.29Å; I321-L327 HydrophobicContact CB-CG 4.42Å; I321-L327 HydrophobicContact CG2-CD1 3.95Å; I321-L327 HydrophobicContact CG2-CD2 3.42Å; I321-L327 VanDerWaalsContact CG2-CD2 3.42Å; I321-L327 HydrophobicContact CG2-CG 3.92Å; N322-L327 HydrophobicContact CB-CD1 3.7Å; N322-L327 HydrophobicContact CB-CG 4.21Å; L325-L327 VanDerWaalsContact C-N 3.3Å; L325-L327 PolarHBondContact O-N 3.43Å; L327-D329 PolarHBondContact O-N 3.01Å; L327-D329 VanDerWaalsContact O-N 3.09Å; L327-I330 PolarHBondContact O-N 2.86Å; L327-L331 HydrophobicContact CB-CD1 4.08Å; L327-L331 HydrophobicContact CD1-CD1 4.05Å; L327-L331 HydrophobicContact CD2-CD1 3.9Å; L327-L331 HydrophobicContact CD2-CG 4.21Å; L327-L331 HydrophobicContact CG-CD1 4.26Å; L327-L331 PolarHBondContact O-N 2.92Å; L327-L331 VanDerWaalsContact O-N 3.08Å
328T82Confident86.5Confident103 Ų10375.3 Ų75.363%0.63237%0.369SS*.G310 helixtrans-58.2-25.9-176.949.90000112.4I274 Q326I274-T328 WeakPolarHBondContact CD1-O 3.19Å; Q326-T328 PolarHBondContact O-N 3.11Å
329D87.9Confident86.9Confident38 Ų3874.8 Ų74.820%0.20337%0.366CS..G310 helixtrans-95.5-5.4-174.8-56.5-4.6000111.8P273 I274 Y277 I278 Q326 L327P273-D329 CarbonylContact C-O 3.57Å; P273-D329 WeakPolarHBondContact CA-O 3.13Å; I274-D329 PolarHBondContact N-O 3.44Å; Y277-D329 PolarHBondContact OH-OD2 3Å; I278-D329 HydrophobicContact CD1-CB 3.85Å; I278-D329 WeakPolarHBondContact CD1-O 3.42Å; Q326-D329 PolarHBondContact O-N 3.06Å; L327-D329 PolarHBondContact O-N 3.01Å; L327-D329 VanDerWaalsContact O-N 3.09Å
330I92.3Very high87.2Confident7 Ų769.3 Ų69.34%0.03634%0.343CS..THydrogen-bonded Turntrans-111.7-38.6-174.1-62.5175.6000111.8F271 C272 I278 V282 I283 I286 L327F271-I330 CarbonylContact C-O 3.52Å; F271-I330 WeakPolarHBondContact CA-O 2.98Å; F271-I330 HydrophobicContact CD1-CG2 3.87Å; F271-I330 HydrophobicContact CE1-CG2 4.49Å; C272-I330 CarbonylContact C-O 3.57Å; C272-I330 VanDerWaalsContact C-O 3.28Å; C272-I330 PolarHBondContact N-O 3.39Å; I278-I330 HydrophobicContact CD1-CG1 3.89Å; I278-I330 HydrophobicContact CG2-CD1 4.25Å; I278-I330 HydrophobicContact CG2-CG1 4.05Å; V282-I330 HydrophobicContact CG1-CD1 4.39Å; I283-I330 HydrophobicContact CG1-CG2 4.11Å; I283-I330 HydrophobicContact CG2-CG2 4.14Å; I286-I330 HydrophobicContact CD1-CD1 3.61Å; I286-I330 HydrophobicContact CD1-CG2 4.22Å; L327-I330 PolarHBondContact O-N 2.86Å
331L94.1Very high87.8Confident19 Ų1967.5 Ų67.510%0.09934%0.335CS..BIsolated β-bridgetrans-94.9139.2-169.3-60.4177.8000112.5I270 F271 L327 Y335I270-L331 HydrophobicContact CG2-CD2 4Å; I270-L331 CarbonylContact O-C 3.5Å; I270-L331 VanDerWaalsContact O-CA 3.3Å; I270-L331 WeakPolarHBondContact O-CA 3.47Å; F271-L331 HydrophobicContact CD1-CD2 3.88Å; F271-L331 HydrophobicContact CE1-CD2 3.92Å; L327-L331 HydrophobicContact CB-CD1 4.08Å; L327-L331 HydrophobicContact CD1-CD1 4.05Å; L327-L331 HydrophobicContact CD2-CD1 3.9Å; L327-L331 HydrophobicContact CD2-CG 4.21Å; L327-L331 HydrophobicContact CG-CD1 4.26Å; L327-L331 PolarHBondContact O-N 2.92Å; L327-L331 VanDerWaalsContact O-N 3.08Å; L331-Y335 HydrophobicContact CB-CD1 3.65Å; L331-Y335 HydrophobicContact CB-CD2 4.44Å; L331-Y335 HydrophobicContact CB-CE1 4.24Å; L331-Y335 HydrophobicContact CB-CG 3.78Å; L331-Y335 HydrophobicContact CD1-CD1 4.09Å; L331-Y335 HydrophobicContact CD1-CD2 3.7Å; L331-Y335 HydrophobicContact CD1-CE1 4.11Å; L331-Y335 HydrophobicContact CD1-CE2 3.73Å; L331-Y335 HydrophobicContact CD1-CG 3.9Å; L331-Y335 HydrophobicContact CG-CD1 4.5Å; L331-Y335 HydrophobicContact CG-CG 4.33Å
332C94.7Very high88.5Confident10 Ų1067 Ų677%0.06833%0.332CS..PPolyproline II helixtrans-65.8161.5176.8-51.80000112.7S268 S269 I270 F271 C272 H334 Y335S268-C332 PolarHBondContact O-SG 3.07Å; S269-C332 VanDerWaalsContact O-CB 3.28Å; S269-C332 WeakPolarHBondContact O-CB 3.44Å; S269-C332 PolarHBondContact O-SG 3.49Å; S269-C332 VanDerWaalsContact O-SG 3.38Å; I270-C332 PolarHBondContact O-N 3.07Å; F271-C332 PolarHBondContact N-SG 3.41Å; C272-C332 HydrophobicContact CB-CB 3.77Å; C272-C332 WeakPolarHBondContact CB-SG 3.47Å; C272-C332 PolarHBondContact N-SG 3.33Å; C272-C332 WeakPolarHBondContact SG-CB 3.29Å; C272-C332 CovalentContact SG-SG 2.01Å; C272-C332 PolarHBondContact SG-SG 2.63Å; C332-H334 PolarHBondContact O-N 3.21Å; C332-Y335 WeakPolarHBondContact O-CB 3.29Å; C332-Y335 VanDerWaalsContact O-CD1 3.26Å; C332-Y335 WeakPolarHBondContact O-CD1 3.4Å; C332-Y335 PolarHBondContact O-N 2.77Å; C332-Y335 VanDerWaalsContact O-N 3.12Å
333N92.5Very high89.3Confident143 Ų14362.9 Ų62.977%0.76531%0.31SS*.THydrogen-bonded Turntrans-57.6134164.9-69.7-31.2000110.4Y335N333-Y335 VanDerWaalsContact C-N 3.28Å; N333-Y335 PolarHBondContact O-N 2.77Å
334H94.6Very high90.3Very high145 Ų14557.4 Ų57.467%0.67129%0.288SS*.THydrogen-bonded Turntrans65.221.4-176.5-39.899.3000115.3C332 Q336 L337 Y338C332-H334 PolarHBondContact O-N 3.21Å; H334-Q336 PolarHBondContact O-N 3.41Å; H334-L337 HydrophobicContact CB-CB 4.5Å; H334-L337 WeakPolarHBondContact O-CB 3.45Å; H334-L337 PolarHBondContact O-N 3.32Å; H334-Y338 WeakPolarHBondContact O-CD2 3.03Å
335Y95.2Very high91.7Very high54 Ų5454 Ų5421%0.21227%0.266CS..Hα-helixtrans-48.2-34.3175.568.8-94000112.8I318 L331 C332 N333 L337 Y338 I339I318-Y335 HydrophobicContact CD1-CD2 4.25Å; I318-Y335 HydrophobicContact CD1-CE2 3.61Å; I318-Y335 HydrophobicContact CG1-CE2 3.88Å; I318-Y335 HydrophobicContact CG2-CE2 4.29Å; I318-Y335 WeakPolarHBondContact CG2-OH 3.45Å; L331-Y335 HydrophobicContact CB-CD1 3.65Å; L331-Y335 HydrophobicContact CB-CD2 4.44Å; L331-Y335 HydrophobicContact CB-CE1 4.24Å; L331-Y335 HydrophobicContact CB-CG 3.78Å; L331-Y335 HydrophobicContact CD1-CD1 4.09Å; L331-Y335 HydrophobicContact CD1-CD2 3.7Å; L331-Y335 HydrophobicContact CD1-CE1 4.11Å; L331-Y335 HydrophobicContact CD1-CE2 3.73Å; L331-Y335 HydrophobicContact CD1-CG 3.9Å; L331-Y335 HydrophobicContact CG-CD1 4.5Å; L331-Y335 HydrophobicContact CG-CG 4.33Å; C332-Y335 WeakPolarHBondContact O-CB 3.29Å; C332-Y335 VanDerWaalsContact O-CD1 3.26Å; C332-Y335 WeakPolarHBondContact O-CD1 3.4Å; C332-Y335 PolarHBondContact O-N 2.77Å; C332-Y335 VanDerWaalsContact O-N 3.12Å; N333-Y335 VanDerWaalsContact C-N 3.28Å; N333-Y335 PolarHBondContact O-N 2.77Å; Y335-L337 VanDerWaalsContact C-N 3.34Å; Y335-L337 PolarHBondContact O-N 3.48Å; Y335-Y338 PolarHBondContact O-N 3.09Å; Y335-Y338 VanDerWaalsContact O-N 3.1Å; Y335-I339 HydrophobicContact CD2-CD1 3.8Å; Y335-I339 HydrophobicContact CE2-CD1 4.42Å; Y335-I339 WeakPolarHBondContact O-CG1 3.48Å; Y335-I339 PolarHBondContact O-N 3.04Å
336Q95.2Very high92.9Very high57 Ų5751.7 Ų51.727%0.26625%0.254SS..Hα-helixtrans-57.5-44.2178.7-68.4-176.6-34.800112.8L314 D315 H334 Y338 I339 I340L314-Q336 HydrophobicContact CD2-CB 3.67Å; L314-Q336 HydrophobicContact CD2-CG 4Å; L314-Q336 WeakPolarHBondContact CD2-O 3.42Å; D315-Q336 PolarHBondContact OD1-NE2 3.22Å; H334-Q336 PolarHBondContact O-N 3.41Å; Q336-Y338 VanDerWaalsContact C-N 3.29Å; Q336-Y338 PolarHBondContact O-N 3.3Å; Q336-I339 PolarHBondContact O-N 3.24Å; Q336-I340 WeakPolarHBondContact O-CG1 3.26Å; Q336-I340 PolarHBondContact O-N 3.18Å; Q336-I340 VanDerWaalsContact O-N 3.12Å
337L96Very high93.9Very high86 Ų8647 Ų4745%0.4523%0.233SC..Hα-helixtrans-60.6-41.5176.7175.165000111H334 Y335 I340 K341H334-L337 HydrophobicContact CB-CB 4.5Å; H334-L337 WeakPolarHBondContact O-CB 3.45Å; H334-L337 PolarHBondContact O-N 3.32Å; Y335-L337 VanDerWaalsContact C-N 3.34Å; Y335-L337 PolarHBondContact O-N 3.48Å; L337-I340 PolarHBondContact O-N 3.36Å; L337-K341 WeakPolarHBondContact O-CG 3.37Å; L337-K341 PolarHBondContact O-N 3.4Å
338Y97.6Very high94.6Very high67 Ų6752.5 Ų52.526%0.26326%0.262SS..Hα-helixtrans-76-29.3-178.1-68-73.7000113I266 S269 H334 Y335 Q336 I340 K341 L342I266-Y338 WeakPolarHBondContact CG2-O 3.44Å; S269-Y338 VanDerWaalsContact CB-CD1 3.49Å; S269-Y338 VanDerWaalsContact CB-CG 3.49Å; S269-Y338 VanDerWaalsContact O-CD2 3.31Å; S269-Y338 WeakPolarHBondContact O-CD2 3.15Å; H334-Y338 WeakPolarHBondContact O-CD2 3.03Å; Y335-Y338 PolarHBondContact O-N 3.09Å; Y335-Y338 VanDerWaalsContact O-N 3.1Å; Q336-Y338 VanDerWaalsContact C-N 3.29Å; Q336-Y338 PolarHBondContact O-N 3.3Å; Y338-I340 VanDerWaalsContact C-N 3.34Å; Y338-K341 HydrophobicContact CD1-CD 3.91Å; Y338-K341 HydrophobicContact CE1-CD 4.22Å; Y338-K341 PolarHBondContact O-N 3.2Å; Y338-L342 WeakPolarHBondContact O-CB 2.87Å; Y338-L342 PolarHBondContact O-N 2.92Å
339I96.9Very high95.3Very high2 Ų251.6 Ų51.61%0.0125%0.248CC..Hα-helixtrans-64.5-40.9169.2-66.5174.3000110.8I270 L290 I294 L314 I318 Y335 Q336 L342 N343I270-I339 HydrophobicContact CD1-CG1 3.94Å; I270-I339 HydrophobicContact CG1-CG1 4.13Å; I270-I339 HydrophobicContact CG2-CD1 4.5Å; I270-I339 HydrophobicContact CG2-CG1 4.2Å; L290-I339 HydrophobicContact CD1-CD1 4.29Å; L290-I339 HydrophobicContact CD1-CG2 4.04Å; L290-I339 HydrophobicContact CD2-CD1 4.14Å; L290-I339 HydrophobicContact CD2-CG1 4.09Å; I294-I339 HydrophobicContact CD1-CG2 4.26Å; L314-I339 HydrophobicContact CD1-CB 4.09Å; L314-I339 HydrophobicContact CD1-CD1 4.07Å; L314-I339 HydrophobicContact CD1-CG2 3.51Å; L314-I339 HydrophobicContact CD2-CB 4.41Å; L314-I339 HydrophobicContact CD2-CG2 4.49Å; I318-I339 HydrophobicContact CD1-CD1 3.84Å; Y335-I339 HydrophobicContact CD2-CD1 3.8Å; Y335-I339 HydrophobicContact CE2-CD1 4.42Å; Y335-I339 WeakPolarHBondContact O-CG1 3.48Å; Y335-I339 PolarHBondContact O-N 3.04Å; Q336-I339 PolarHBondContact O-N 3.24Å; I339-L342 WeakPolarHBondContact O-CB 3.41Å; I339-L342 PolarHBondContact O-N 3.17Å; I339-N343 PolarHBondContact O-N 2.95Å
340I96.1Very high95.6Very high20 Ų2053.7 Ų53.710%0.10326%0.262CS..Hα-helixtrans-62.1-46.7174.1-65.8168.3000110I308 L314 Q336 L337 Y338 L342 N343 E344I308-I340 HydrophobicContact CG2-CG2 3.86Å; L314-I340 HydrophobicContact CD2-CD1 4.25Å; L314-I340 HydrophobicContact CD2-CG1 4.04Å; Q336-I340 WeakPolarHBondContact O-CG1 3.26Å; Q336-I340 PolarHBondContact O-N 3.18Å; Q336-I340 VanDerWaalsContact O-N 3.12Å; L337-I340 PolarHBondContact O-N 3.36Å; Y338-I340 VanDerWaalsContact C-N 3.34Å; I340-L342 VanDerWaalsContact C-N 3.3Å; I340-L342 PolarHBondContact O-N 2.63Å; I340-N343 WeakPolarHBondContact O-CB 3.2Å; I340-N343 PolarHBondContact O-N 2.9Å; I340-N343 VanDerWaalsContact O-N 3.11Å; I340-E344 HydrophobicContact CG2-CG 4.47Å; I340-E344 WeakPolarHBondContact O-CG 3.22Å; I340-E344 PolarHBondContact O-N 2.97Å
341K97.4Very high95.8Very high83 Ų8353.5 Ų53.536%0.36126%0.261SS..Hα-helixtrans-59.2-37.8174.7-72.6178.7176.1-179.70113.1I266 L337 Y338 N343 E344 L345I266-K341 HydrophobicContact CD1-CB 4.23Å; L337-K341 WeakPolarHBondContact O-CG 3.37Å; L337-K341 PolarHBondContact O-N 3.4Å; Y338-K341 HydrophobicContact CD1-CD 3.91Å; Y338-K341 HydrophobicContact CE1-CD 4.22Å; Y338-K341 PolarHBondContact O-N 3.2Å; K341-N343 VanDerWaalsContact C-N 3.34Å; K341-E344 PolarHBondContact O-N 3.34Å; K341-L345 WeakPolarHBondContact O-CB 3.3Å; K341-L345 PolarHBondContact O-N 3.05Å
342L97.7Very high95.9Very high1 Ų155.8 Ų55.81%0.00528%0.276CS..Hα-helixtrans-62.6-43.6175.4-175.656.9000111I263 I266 I270 I291 I294 Y338 I339 I340 L345 F346I263-L342 HydrophobicContact CD1-CD1 4.29Å; I263-L342 HydrophobicContact CG1-CD1 3.82Å; I266-L342 HydrophobicContact CG2-CB 3.81Å; I266-L342 HydrophobicContact CG2-CD1 4.26Å; I266-L342 HydrophobicContact CG2-CG 4.5Å; I270-L342 HydrophobicContact CD1-CB 4.45Å; I270-L342 HydrophobicContact CD1-CD2 4.06Å; I291-L342 HydrophobicContact CG2-CD2 4.42Å; I294-L342 HydrophobicContact CD1-CB 4.29Å; I294-L342 HydrophobicContact CD1-CD2 3.69Å; I294-L342 HydrophobicContact CD1-CG 3.92Å; Y338-L342 WeakPolarHBondContact O-CB 2.87Å; Y338-L342 PolarHBondContact O-N 2.92Å; I339-L342 WeakPolarHBondContact O-CB 3.41Å; I339-L342 PolarHBondContact O-N 3.17Å; I340-L342 VanDerWaalsContact C-N 3.3Å; I340-L342 PolarHBondContact O-N 2.63Å; L342-L345 PolarHBondContact O-N 3.44Å; L342-F346 HydrophobicContact CD1-CD1 4.01Å; L342-F346 HydrophobicContact CD1-CE1 3.56Å; L342-F346 HydrophobicContact CD1-CZ 4.24Å; L342-F346 HydrophobicContact CG-CE1 4.28Å; L342-F346 WeakPolarHBondContact O-CD1 3.37Å; L342-F346 PolarHBondContact O-N 3.32Å
343N96.3Very high96Very high0 Ų060.6 Ų60.60%029%0.293CS..Hα-helixtrans-65-43.2176.4172.4-115.6000112.2I294 I298 I308 I309 I339 I340 K341 F346 M347I294-N343 HydrophobicContact CG2-CB 3.95Å; I298-N343 WeakPolarHBondContact CD1-ND2 3.38Å; I298-N343 WeakPolarHBondContact CG1-ND2 3.48Å; I308-N343 WeakPolarHBondContact CA-OD1 3.12Å; I309-N343 HydrophobicContact CD1-CB 4.15Å; I309-N343 HydrophobicContact CG1-CB 4.44Å; I309-N343 PolarHBondContact N-OD1 3.1Å; I339-N343 PolarHBondContact O-N 2.95Å; I340-N343 WeakPolarHBondContact O-CB 3.2Å; I340-N343 PolarHBondContact O-N 2.9Å; I340-N343 VanDerWaalsContact O-N 3.11Å; K341-N343 VanDerWaalsContact C-N 3.34Å; N343-F346 PolarHBondContact O-N 2.74Å; N343-M347 WeakPolarHBondContact O-CB 3.32Å; N343-M347 PolarHBondContact O-N 2.95Å
344E96.4Very high96.2Very high74 Ų7459 Ų5935%0.34628%0.284SS..Hα-helixtrans-59-45.2172.2-71.9175.4173.800111.8I308 I340 K341 F346 M347 N348I308-E344 HydrophobicContact CD1-CG 3.86Å; I308-E344 HydrophobicContact CG1-CG 4.1Å; I308-E344 HydrophobicContact CG2-CG 4.16Å; I340-E344 HydrophobicContact CG2-CG 4.47Å; I340-E344 WeakPolarHBondContact O-CG 3.22Å; I340-E344 PolarHBondContact O-N 2.97Å; K341-E344 PolarHBondContact O-N 3.34Å; E344-F346 PolarHBondContact O-N 3.26Å; E344-M347 PolarHBondContact O-N 2.04Å; E344-N348 WeakPolarHBondContact O-CB 3.14Å; E344-N348 PolarHBondContact O-N 2.96Å; E344-N348 PolarHBondContact O-ND2 3.04Å
345L97.6Very high96.4Very high20 Ų2053.3 Ų53.311%0.10526%0.258CS..Hα-helixtrans-58.7-47.6177.3-175.770.9000110.9F259 I263 I266 K341 L342 M347 N348 Y349F259-L345 HydrophobicContact CD2-CD1 4.22Å; F259-L345 HydrophobicContact CD2-CD2 4.11Å; F259-L345 HydrophobicContact CD2-CG 4Å; F259-L345 HydrophobicContact CE2-CD1 4.46Å; F259-L345 HydrophobicContact CE2-CD2 3.86Å; F259-L345 HydrophobicContact CE2-CG 3.75Å; F259-L345 HydrophobicContact CZ-CD2 4.45Å; I263-L345 HydrophobicContact CB-CD2 4.08Å; I266-L345 HydrophobicContact CD1-CB 4.42Å; I266-L345 HydrophobicContact CD1-CD2 4.01Å; K341-L345 WeakPolarHBondContact O-CB 3.3Å; K341-L345 PolarHBondContact O-N 3.05Å; L342-L345 PolarHBondContact O-N 3.44Å; L345-M347 VanDerWaalsContact C-N 3.32Å; L345-M347 PolarHBondContact O-N 3.26Å; L345-N348 PolarHBondContact O-N 2.97Å; L345-Y349 HydrophobicContact CD1-CD2 3.72Å; L345-Y349 HydrophobicContact CD1-CE2 3.58Å; L345-Y349 HydrophobicContact CG-CD2 4.31Å; L345-Y349 WeakPolarHBondContact O-CD2 3.49Å; L345-Y349 PolarHBondContact O-N 3.17Å
346F97Very high96.5Very high1 Ų150.9 Ų50.90%0.00425%0.249CC..Hα-helixtrans-64.2-37.7179.3-83.532.9000112.2F259 I263 I291 I294 I298 L342 N343 E344 T350 I351 I359F259-F346 HydrophobicContact CE2-CD1 4.31Å; F259-F346 HydrophobicContact CZ-CD1 4.07Å; F259-F346 AromaticContact CZ-CE1 3.87Å; F259-F346 HydrophobicContact CZ-CE1 3.87Å; I263-F346 HydrophobicContact CD1-CE1 3.78Å; I263-F346 HydrophobicContact CD1-CZ 4.05Å; I263-F346 HydrophobicContact CG1-CE1 4.46Å; I291-F346 HydrophobicContact CB-CE2 4.39Å; I291-F346 HydrophobicContact CG2-CZ 4.43Å; I294-F346 HydrophobicContact CG2-CB 4.36Å; I294-F346 HydrophobicContact CG2-CD2 3.9Å; I294-F346 HydrophobicContact CG2-CG 4.29Å; I298-F346 HydrophobicContact CD1-CB 3.55Å; L342-F346 HydrophobicContact CD1-CD1 4.01Å; L342-F346 HydrophobicContact CD1-CE1 3.56Å; L342-F346 HydrophobicContact CD1-CZ 4.24Å; L342-F346 HydrophobicContact CG-CE1 4.28Å; L342-F346 WeakPolarHBondContact O-CD1 3.37Å; L342-F346 PolarHBondContact O-N 3.32Å; N343-F346 PolarHBondContact O-N 2.74Å; E344-F346 PolarHBondContact O-N 3.26Å; F346-T350 PolarHBondContact O-N 3.42Å; F346-T350 VanDerWaalsContact O-N 3.15Å; F346-I351 HydrophobicContact CB-CB 4.48Å; F346-I351 HydrophobicContact CB-CG1 4.18Å; F346-I351 HydrophobicContact CD1-CG1 4.24Å; F346-I351 HydrophobicContact CD2-CB 4.47Å; F346-I351 HydrophobicContact CD2-CG1 4.48Å; F346-I351 HydrophobicContact CD2-CG2 4.42Å; F346-I351 HydrophobicContact CG-CB 4.44Å; F346-I351 HydrophobicContact CG-CG1 4.05Å; F346-I351 PolarHBondContact O-N 2.87Å; F346-I351 VanDerWaalsContact O-N 3.12Å; F346-I359 HydrophobicContact CZ-CD1 4.28Å
347M94.5Very high96.5Very high50 Ų5054 Ų5425%0.24626%0.262CS..Hα-helixtrans-67.5-46.3176.6179.3173.1152.500111.5I298 K306 I308 N343 E344 L345 T350I298-M347 HydrophobicContact CD1-CB 4.35Å; K306-M347 HydrophobicContact CB-CE 4.12Å; K306-M347 HydrophobicContact CB-CG 4.33Å; K306-M347 HydrophobicContact CB-SD 4.05Å; K306-M347 HydrophobicContact CD-CG 4.44Å; I308-M347 HydrophobicContact CG1-SD 4.11Å; N343-M347 WeakPolarHBondContact O-CB 3.32Å; N343-M347 PolarHBondContact O-N 2.95Å; E344-M347 PolarHBondContact O-N 2.04Å; L345-M347 VanDerWaalsContact C-N 3.32Å; L345-M347 PolarHBondContact O-N 3.26Å; M347-T350 PolarHBondContact O-N 2.84Å; M347-T350 VanDerWaalsContact O-N 3.15Å
348N95.6Very high96.6Very high123 Ų12352.1 Ų52.166%0.65825%0.251SS*.Hα-helixtrans-64.9-40.9-178.3-72.5-19.3000112.4E344 L345 T350E344-N348 WeakPolarHBondContact O-CB 3.14Å; E344-N348 PolarHBondContact O-N 2.96Å; E344-N348 PolarHBondContact O-ND2 3.04Å; L345-N348 PolarHBondContact O-N 2.97Å; N348-T350 VanDerWaalsContact C-N 3.26Å; N348-T350 PolarHBondContact O-N 3.26Å
349Y96.1Very high96.6Very high84 Ų8449 Ų4933%0.32924%0.239SC..THydrogen-bonded Turntrans-81.2-4.8176-83.7-98.4000113.6F259 L345 I351F259-Y349 HydrophobicContact CB-CD1 4.07Å; F259-Y349 HydrophobicContact CB-CE1 3.69Å; F259-Y349 AromaticContact CD2-CD1 3.67Å; F259-Y349 HydrophobicContact CD2-CD1 3.67Å; F259-Y349 AromaticContact CD2-CD2 3.6Å; F259-Y349 HydrophobicContact CD2-CD2 3.6Å; F259-Y349 HydrophobicContact CD2-CE1 4.02Å; F259-Y349 AromaticContact CD2-CE2 3.94Å; F259-Y349 HydrophobicContact CD2-CE2 3.94Å; F259-Y349 AromaticContact CD2-CG 3.44Å; F259-Y349 HydrophobicContact CD2-CG 3.44Å; F259-Y349 VanDerWaalsContact CD2-CG 3.44Å; F259-Y349 HydrophobicContact CE2-CD2 4.19Å; F259-Y349 AromaticContact CE2-CG 4Å; F259-Y349 HydrophobicContact CE2-CG 4Å; F259-Y349 HydrophobicContact CG-CD1 4.18Å; F259-Y349 HydrophobicContact CG-CE1 4.27Å; F259-Y349 HydrophobicContact CG-CG 4.38Å; L345-Y349 HydrophobicContact CD1-CD2 3.72Å; L345-Y349 HydrophobicContact CD1-CE2 3.58Å; L345-Y349 HydrophobicContact CG-CD2 4.31Å; L345-Y349 WeakPolarHBondContact O-CD2 3.49Å; L345-Y349 PolarHBondContact O-N 3.17Å; Y349-I351 VanDerWaalsContact C-N 3.33Å; Y349-I351 PolarHBondContact O-N 3.1Å
350T94.1Very high96.5Very high82 Ų8249 Ų4950%0.50324%0.24SC..THydrogen-bonded Turntrans52.948.1-178.360.90000113.1F346 M347 N348 T352F346-T350 PolarHBondContact O-N 3.42Å; F346-T350 VanDerWaalsContact O-N 3.15Å; M347-T350 PolarHBondContact O-N 2.84Å; M347-T350 VanDerWaalsContact O-N 3.15Å; N348-T350 VanDerWaalsContact C-N 3.26Å; N348-T350 PolarHBondContact O-N 3.26Å; T350-T352 PolarHBondContact O-N 3.14Å
351I95.8Very high96.5Very high2 Ų251.7 Ų51.71%0.0125%0.252CS..  trans-53.7128.5-174.1-66.4-68.1000111.7L255 F259 Y295 H299 F346 Y349 Q355 M356L255-I351 HydrophobicContact CD2-CD1 3.52Å; F259-I351 HydrophobicContact CD2-CD1 4.36Å; F259-I351 HydrophobicContact CE1-CD1 4.02Å; F259-I351 HydrophobicContact CE2-CD1 3.55Å; F259-I351 HydrophobicContact CE2-CG1 3.99Å; F259-I351 HydrophobicContact CZ-CD1 3.36Å; F259-I351 HydrophobicContact CZ-CG1 3.93Å; Y295-I351 WeakPolarHBondContact CE2-O 3.38Å; H299-I351 PolarHBondContact NE2-O 2.92Å; F346-I351 HydrophobicContact CB-CB 4.48Å; F346-I351 HydrophobicContact CB-CG1 4.18Å; F346-I351 HydrophobicContact CD1-CG1 4.24Å; F346-I351 HydrophobicContact CD2-CB 4.47Å; F346-I351 HydrophobicContact CD2-CG1 4.48Å; F346-I351 HydrophobicContact CD2-CG2 4.42Å; F346-I351 HydrophobicContact CG-CB 4.44Å; F346-I351 HydrophobicContact CG-CG1 4.05Å; F346-I351 PolarHBondContact O-N 2.87Å; F346-I351 VanDerWaalsContact O-N 3.12Å; Y349-I351 VanDerWaalsContact C-N 3.33Å; Y349-I351 PolarHBondContact O-N 3.1Å; I351-Q355 HydrophobicContact CG2-CB 4.05Å; I351-M356 HydrophobicContact CG2-CB 3.98Å
352T96.3Very high96.4Very high68 Ų6848.1 Ų48.142%0.41724%0.237SC..  trans-78.6163.1175.865.10000111.5T350 D354 Q355 M356T350-T352 PolarHBondContact O-N 3.14Å; T352-D354 VanDerWaalsContact C-N 3.3Å; T352-D354 PolarHBondContact O-N 3.38Å; T352-Q355 PolarHBondContact O-N 2.83Å; T352-Q355 WeakPolarHBondContact OG1-CB 3.43Å; T352-Q355 VanDerWaalsContact OG1-CG 3.25Å; T352-Q355 WeakPolarHBondContact OG1-CG 3.4Å; T352-Q355 PolarHBondContact OG1-N 2.91Å; T352-Q355 PolarHBondContact OG1-OE1 2.89Å; T352-Q355 VanDerWaalsContact OG1-OE1 3.09Å; T352-M356 PolarHBondContact O-N 3.02Å
353Y96.6Very high96.4Very high111 Ų11148.1 Ų48.144%0.43524%0.236SC..Hα-helixtrans-59.6-42.4176.6-176.7-107.6000111.8Y295 M356 K357Y295-Y353 HydrophobicContact CD1-CD2 4.24Å; Y295-Y353 AromaticContact CE1-CD2 3.64Å; Y295-Y353 HydrophobicContact CE1-CD2 3.64Å; Y295-Y353 HydrophobicContact CE1-CG 4.47Å; Y295-Y353 AromaticContact CZ-CD2 3.95Å; Y295-Y353 WeakPolarHBondContact OH-CA 3.47Å; Y295-Y353 WeakPolarHBondContact OH-CB 3.32Å; Y295-Y353 PolarHBondContact OH-N 3.35Å; Y353-M356 HydrophobicContact CD2-CE 3.5Å; Y353-M356 HydrophobicContact CE2-CE 3.45Å; Y353-M356 VanDerWaalsContact CE2-CE 3.45Å; Y353-M356 HydrophobicContact CG-CE 4.44Å; Y353-M356 PolarHBondContact O-N 3.41Å; Y353-K357 WeakPolarHBondContact O-CB 3.45Å; Y353-K357 PolarHBondContact O-N 3.35Å
354D97.5Very high96.4Very high108 Ų10848.1 Ų48.158%0.57824%0.237SC*.Hα-helixtrans-66.3-42.1-178.7-66-28.6000111.9T352 K357 I358T352-D354 VanDerWaalsContact C-N 3.3Å; T352-D354 PolarHBondContact O-N 3.38Å; D354-K357 PolarHBondContact O-N 2.76Å; D354-I358 WeakPolarHBondContact O-CG1 2.94Å; D354-I358 PolarHBondContact O-N 3.46Å
355Q98Very high96.4Very high26 Ų2644.9 Ų44.912%0.12122%0.222CC..Hα-helixtrans-61.6-45.3174-75.2168.2-27.600111.8S253 L255 I351 T352 K357 I358 I359S253-Q355 WeakPolarHBondContact O-CG 3.37Å; S253-Q355 PolarHBondContact O-NE2 3.29Å; L255-Q355 HydrophobicContact CD1-CB 4.45Å; L255-Q355 HydrophobicContact CD2-CB 4.18Å; L255-Q355 HydrophobicContact CD2-CG 4Å; L255-Q355 HydrophobicContact CG-CB 4.43Å; L255-Q355 HydrophobicContact CG-CG 4.09Å; I351-Q355 HydrophobicContact CG2-CB 4.05Å; T352-Q355 PolarHBondContact O-N 2.83Å; T352-Q355 WeakPolarHBondContact OG1-CB 3.43Å; T352-Q355 VanDerWaalsContact OG1-CG 3.25Å; T352-Q355 WeakPolarHBondContact OG1-CG 3.4Å; T352-Q355 PolarHBondContact OG1-N 2.91Å; T352-Q355 PolarHBondContact OG1-OE1 2.89Å; T352-Q355 VanDerWaalsContact OG1-OE1 3.09Å; Q355-K357 VanDerWaalsContact C-N 3.32Å; Q355-K357 PolarHBondContact O-N 3.4Å; Q355-I358 PolarHBondContact O-N 2.71Å; Q355-I359 VanDerWaalsContact O-CG1 3.31Å; Q355-I359 WeakPolarHBondContact O-CG1 3.35Å; Q355-I359 PolarHBondContact O-N 2.79Å
356M97.4Very high96.3Very high3 Ų344.6 Ų44.62%0.01522%0.219CC..Hα-helixtrans-59.8-44.5174.9177-80.6-60.200111.1Q292 Y295 I351 T352 Y353 I358 I359 S360Q292-M356 HydrophobicContact CG-SD 4.06Å; Y295-M356 HydrophobicContact CD1-CE 4.05Å; Y295-M356 HydrophobicContact CD2-CB 3.79Å; Y295-M356 HydrophobicContact CD2-CE 4.44Å; Y295-M356 HydrophobicContact CD2-CG 4Å; Y295-M356 HydrophobicContact CE2-CB 4.34Å; Y295-M356 HydrophobicContact CG-CB 4.31Å; Y295-M356 HydrophobicContact CG-CE 4.01Å; Y295-M356 HydrophobicContact CG-CG 4.04Å; I351-M356 HydrophobicContact CG2-CB 3.98Å; T352-M356 PolarHBondContact O-N 3.02Å; Y353-M356 HydrophobicContact CD2-CE 3.5Å; Y353-M356 HydrophobicContact CE2-CE 3.45Å; Y353-M356 VanDerWaalsContact CE2-CE 3.45Å; Y353-M356 HydrophobicContact CG-CE 4.44Å; Y353-M356 PolarHBondContact O-N 3.41Å; M356-I358 VanDerWaalsContact C-N 3.31Å; M356-I358 PolarHBondContact O-N 3.03Å; M356-I359 PolarHBondContact O-N 2.85Å; M356-S360 WeakPolarHBondContact O-CB 2.98Å; M356-S360 PolarHBondContact O-N 3.16Å
357K96.6Very high96.1Very high124 Ų12446 Ų4654%0.53923%0.228SC..Hα-helixtrans-61-39.7177.9-172.7-178.5178.2-175.70111.7Y353 D354 Q355 S360 H361Y353-K357 WeakPolarHBondContact O-CB 3.45Å; Y353-K357 PolarHBondContact O-N 3.35Å; D354-K357 PolarHBondContact O-N 2.76Å; Q355-K357 VanDerWaalsContact C-N 3.32Å; Q355-K357 PolarHBondContact O-N 3.4Å; K357-S360 WeakPolarHBondContact O-CB 3.26Å; K357-S360 PolarHBondContact O-N 2.89Å; K357-H361 WeakPolarHBondContact O-CB 3.47Å; K357-H361 PolarHBondContact O-N 2.93Å
358I96.6Very high96Very high45 Ų4548 Ų4823%0.23123%0.233CC..Hα-helixtrans-66.4-48176.8-71.2168.1000111.1T249 L250 S253 D354 Q355 M356 S360 H361 I362T249-I358 HydrophobicContact CG2-CG2 3.93Å; L250-I358 HydrophobicContact CD2-CG2 4.07Å; S253-I358 VanDerWaalsContact CB-CD1 3.41Å; D354-I358 WeakPolarHBondContact O-CG1 2.94Å; D354-I358 PolarHBondContact O-N 3.46Å; Q355-I358 PolarHBondContact O-N 2.71Å; M356-I358 VanDerWaalsContact C-N 3.31Å; M356-I358 PolarHBondContact O-N 3.03Å; I358-S360 VanDerWaalsContact C-N 3.27Å; I358-S360 PolarHBondContact O-N 3.11Å; I358-H361 PolarHBondContact O-N 3.09Å; I358-H361 VanDerWaalsContact O-N 3.14Å; I358-I362 HydrophobicContact CG2-CD1 3.94Å; I358-I362 WeakPolarHBondContact O-CG1 3.4Å; I358-I362 PolarHBondContact O-N 2.96Å
359I97.8Very high95.7Very high1 Ų142.1 Ų42.11%0.00520%0.202CC..Hα-helixtrans-56.4-46.7174.9-67.1162.4000110.2L250 L255 F259 I263 F287 F346 Q355 M356 H361 I362 G363 L381L250-I359 HydrophobicContact CD2-CG1 4Å; L255-I359 HydrophobicContact CD1-CD1 3.86Å; L255-I359 HydrophobicContact CD1-CG1 3.88Å; F259-I359 HydrophobicContact CE1-CD1 3.75Å; F259-I359 HydrophobicContact CZ-CD1 4.08Å; I263-I359 HydrophobicContact CD1-CD1 4.23Å; I263-I359 HydrophobicContact CD1-CG2 3.7Å; F287-I359 HydrophobicContact CE1-CG2 4.46Å; F287-I359 HydrophobicContact CZ-CG2 3.84Å; F346-I359 HydrophobicContact CZ-CD1 4.28Å; Q355-I359 VanDerWaalsContact O-CG1 3.31Å; Q355-I359 WeakPolarHBondContact O-CG1 3.35Å; Q355-I359 PolarHBondContact O-N 2.79Å; M356-I359 PolarHBondContact O-N 2.85Å; I359-H361 VanDerWaalsContact C-N 3.26Å; I359-H361 PolarHBondContact O-N 3.4Å; I359-I362 PolarHBondContact O-N 3.05Å; I359-G363 PolarHBondContact O-N 3.3Å; I359-L381 HydrophobicContact CG2-CD2 4.38Å
360S96.1Very high95.5Very high3 Ų340.4 Ų40.42%0.02120%0.198CC..Hα-helixtrans-62.8-31179.1-178.40000113.9H288 M356 K357 I358H288-S360 PolarHBondContact CE1-OG 3.35Å; H288-S360 PolarHBondContact ND1-O 3.24Å; H288-S360 PolarHBondContact ND1-OG 2.83Å; M356-S360 WeakPolarHBondContact O-CB 2.98Å; M356-S360 PolarHBondContact O-N 3.16Å; K357-S360 WeakPolarHBondContact O-CB 3.26Å; K357-S360 PolarHBondContact O-N 2.89Å; I358-S360 VanDerWaalsContact C-N 3.27Å; I358-S360 PolarHBondContact O-N 3.11Å
361H94.6Very high95.4Very high76 Ų7637.3 Ų37.335%0.35218%0.178SC..Hα-helixtrans-83.2-39.3179.6-177.465.3000112.3K357 I358 I359 G363 Y477 R479K357-H361 WeakPolarHBondContact O-CB 3.47Å; K357-H361 PolarHBondContact O-N 2.93Å; I358-H361 PolarHBondContact O-N 3.09Å; I358-H361 VanDerWaalsContact O-N 3.14Å; I359-H361 VanDerWaalsContact C-N 3.26Å; I359-H361 PolarHBondContact O-N 3.4Å; H361-G363 VanDerWaalsContact C-N 3.26Å; H361-G363 PolarHBondContact O-N 2.7Å; H361-Y477 AromaticContact CE1-CD2 3.58Å; H361-Y477 AromaticContact CE1-CE2 3.43Å; H361-Y477 VanDerWaalsContact CE1-CE2 3.43Å; H361-Y477 WeakPolarHBondContact CE1-CE2 3.44Å; H361-Y477 AromaticContact CE1-CZ 3.79Å; H361-Y477 AromaticContact NE2-CD2 3.13Å; H361-Y477 WeakPolarHBondContact NE2-CD2 3.49Å; H361-Y477 AromaticContact NE2-CE2 2.83Å; H361-Y477 WeakPolarHBondContact NE2-CE2 3.16Å; H361-Y477 AromaticContact NE2-CZ 3.56Å; H361-R479 PolarHBondContact O-NH1 2.76Å; H361-R479 PolarHBondContact O-NH2 2.99Å
362I96Very high95.4Very high9 Ų937.9 Ų37.95%0.04618%0.182CC..Hα-helixtrans-57.7-43.9170.4-73.6166.6000110.2V246 L250 I358 I359 C382 I383 W476V246-I362 HydrophobicContact CG1-CD1 4.06Å; V246-I362 HydrophobicContact CG1-CG1 3.92Å; V246-I362 HydrophobicContact CG1-CG2 4.03Å; L250-I362 HydrophobicContact CD1-CD1 3.87Å; L250-I362 HydrophobicContact CD2-CD1 3.47Å; L250-I362 VanDerWaalsContact CD2-CD1 3.47Å; L250-I362 HydrophobicContact CG-CD1 3.4Å; I358-I362 HydrophobicContact CG2-CD1 3.94Å; I358-I362 WeakPolarHBondContact O-CG1 3.4Å; I358-I362 PolarHBondContact O-N 2.96Å; I359-I362 PolarHBondContact O-N 3.05Å; I362-C382 WeakPolarHBondContact CG2-O 3.28Å; I362-I383 HydrophobicContact CG2-CG2 4.13Å; I362-W476 PolarHBondContact O-NE1 2.94Å
363G97.1Very high95.3Very high0 Ų037.2 Ų37.20%017%0.172CC..  trans72.4-170.1176.800000113.7D284 I359 H361 C382D284-G363 WeakPolarHBondContact OD1-CA 3.48Å; I359-G363 PolarHBondContact O-N 3.3Å; H361-G363 VanDerWaalsContact C-N 3.26Å; H361-G363 PolarHBondContact O-N 2.7Å; G363-C382 PolarHBondContact O-N 3.09Å
364I97.4Very high95.1Very high1 Ų138.6 Ų38.61%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-124.2143.1175.660.9173.2000109.8I267 F271 I283 D284 F287 I379 H380 L381 W476I267-I364 HydrophobicContact CD1-CG2 3.82Å; I267-I364 HydrophobicContact CG1-CG2 4.41Å; I267-I364 HydrophobicContact CG2-CB 4.33Å; I267-I364 HydrophobicContact CG2-CD1 4.45Å; I267-I364 HydrophobicContact CG2-CG2 3.64Å; F271-I364 HydrophobicContact CD1-CD1 4.34Å; F271-I364 HydrophobicContact CD2-CD1 3.63Å; F271-I364 HydrophobicContact CE1-CD1 4.32Å; F271-I364 HydrophobicContact CE2-CD1 3.62Å; F271-I364 HydrophobicContact CG-CD1 4.01Å; F271-I364 HydrophobicContact CZ-CD1 3.98Å; I283-I364 HydrophobicContact CG2-CD1 3.85Å; D284-I364 HydrophobicContact CB-CG1 4.13Å; D284-I364 WeakPolarHBondContact CB-O 3.07Å; D284-I364 WeakPolarHBondContact OD1-CG1 3.06Å; D284-I364 PolarHBondContact OD1-N 3.29Å; F287-I364 HydrophobicContact CB-CD1 3.29Å; F287-I364 HydrophobicContact CB-CG1 3.68Å; F287-I364 HydrophobicContact CD1-CB 4.39Å; F287-I364 HydrophobicContact CD1-CD1 4.36Å; F287-I364 HydrophobicContact CD1-CG1 3.97Å; F287-I364 HydrophobicContact CD1-CG2 3.77Å; F287-I364 HydrophobicContact CD2-CD1 4.08Å; F287-I364 HydrophobicContact CD2-CG2 3.9Å; F287-I364 HydrophobicContact CE1-CG2 3.79Å; F287-I364 HydrophobicContact CE2-CG2 3.91Å; F287-I364 HydrophobicContact CG-CB 4.45Å; F287-I364 HydrophobicContact CG-CD1 3.68Å; F287-I364 HydrophobicContact CG-CG1 3.81Å; F287-I364 HydrophobicContact CG-CG2 3.83Å; F287-I364 HydrophobicContact CZ-CG2 3.84Å; I364-I379 HydrophobicContact CB-CG2 3.91Å; I364-I379 HydrophobicContact CD1-CG2 3.67Å; I364-I379 HydrophobicContact CG1-CG2 4.07Å; I364-H380 CarbonylContact C-O 3.59Å; I364-H380 WeakPolarHBondContact CA-O 3.33Å; I364-H380 WeakPolarHBondContact CB-O 3.47Å; I364-H380 WeakPolarHBondContact CG2-O 3.09Å; I364-L381 HydrophobicContact CG2-CD2 4.2Å; I364-W476 WeakPolarHBondContact O-CH2 3.4Å; I364-W476 VanDerWaalsContact O-CZ2 3.23Å; I364-W476 WeakPolarHBondContact O-CZ2 3.42Å
365C96.1Very high94.8Very high5 Ų535.2 Ų35.23%0.03416%0.162CC..EExtended strand (participates in β ladder)trans-142172.8178.7600000109.6E280 I379 H380 C382 R431 W476E280-C365 WeakPolarHBondContact OE2-CB 3.23Å; C365-I379 WeakPolarHBondContact O-CA 3.17Å; C365-H380 PolarHBondContact N-O 3.25Å; C365-H380 VanDerWaalsContact N-O 3.12Å; C365-H380 PolarHBondContact O-N 3.31Å; C365-H380 VanDerWaalsContact O-N 3.09Å; C365-C382 HydrophobicContact CB-CB 3.75Å; C365-C382 WeakPolarHBondContact CB-SG 3.5Å; C365-C382 WeakPolarHBondContact SG-CA 3.34Å; C365-C382 WeakPolarHBondContact SG-CB 3.31Å; C365-C382 CovalentContact SG-SG 2.04Å; C365-C382 PolarHBondContact SG-SG 3.24Å; C365-R431 HydrophobicContact CB-CG 4.48Å; C365-W476 HydrophobicContact CB-CH2 3.57Å; C365-W476 HydrophobicContact CB-CZ2 3.83Å; C365-W476 HydrophobicContact CB-CZ3 4.13Å
366Y95.3Very high94.4Very high15 Ų1539 Ų396%0.05918%0.182CC..EExtended strand (participates in β ladder)trans-62.2148167.2-71.8-68.7000110.7P273 I278 E280 Y368 Y375 P377 E378 I379 R431P273-Y366 HydrophobicContact CB-CE1 4.48Å; P273-Y366 HydrophobicContact CG-CE1 3.48Å; P273-Y366 VanDerWaalsContact CG-CE1 3.48Å; P273-Y366 WeakPolarHBondContact CG-OH 3.46Å; I278-Y366 PolarHBondContact O-OH 3.01Å; I278-Y366 VanDerWaalsContact O-OH 3.09Å; E280-Y366 HydrophobicContact CB-CD2 3.68Å; E280-Y366 HydrophobicContact CB-CE2 3.77Å; E280-Y366 HydrophobicContact CG-CD2 4.36Å; E280-Y366 PolarHBondContact OE2-N 3.27Å; Y366-Y368 VanDerWaalsContact C-N 3.3Å; Y366-Y368 WeakPolarHBondContact CB-O 3.44Å; Y366-Y375 WeakPolarHBondContact CD1-OH 3.33Å; Y366-Y375 WeakPolarHBondContact CE1-OH 3.06Å; Y366-P377 HydrophobicContact CE1-CB 4.01Å; Y366-E378 CarbonylContact C-O 3.48Å; Y366-E378 WeakPolarHBondContact CA-O 3.48Å; Y366-I379 HydrophobicContact CD1-CD1 3.4Å; Y366-I379 HydrophobicContact CD1-CG1 4.19Å; Y366-I379 HydrophobicContact CD2-CD1 4.31Å; Y366-I379 HydrophobicContact CE1-CD1 3.54Å; Y366-I379 HydrophobicContact CE1-CG1 4.17Å; Y366-I379 HydrophobicContact CE2-CD1 4.4Å; Y366-I379 HydrophobicContact CG-CD1 3.83Å; Y366-R431 WeakPolarHBondContact O-CD 3.2Å; Y366-R431 WeakPolarHBondContact O-CG 3.37Å
367T92.4Very high94.1Very high30 Ų3040.9 Ų40.918%0.18420%0.195CC..SBendtrans-64.6-39.4174.5-48.20000111.6E378 H380T367-E378 PolarHBondContact N-O 2.87Å; T367-E378 PolarHBondContact OG1-O 3Å; T367-H380 PolarHBondContact OG1-CD2 3.46Å; T367-H380 PolarHBondContact OG1-NE2 2.87Å
368Y91.7Very high93.9Very high92 Ų9239.2 Ų39.236%0.36119%0.189SC..SBendtrans-137.1167.7-177.2-57.4-70.4000110E27 Y366 Y375 H385E27-Y368 VanDerWaalsContact OE1-C 3.27Å; E27-Y368 WeakPolarHBondContact OE1-CA 3.42Å; Y366-Y368 VanDerWaalsContact C-N 3.3Å; Y366-Y368 WeakPolarHBondContact CB-O 3.44Å; Y368-Y375 WeakPolarHBondContact O-CE2 3.45Å; Y368-H385 AromaticContact CE1-CE1 3.47Å; Y368-H385 VanDerWaalsContact CE1-CE1 3.47Å; Y368-H385 WeakPolarHBondContact CE1-CE1 3.42Å; Y368-H385 AromaticContact CE1-NE2 3.52Å; Y368-H385 AromaticContact CZ-CE1 3.88Å
369S91.2Very high93.9Very high0 Ų037.1 Ų37.10%018%0.178CC..  trans-66.6147.2170.3-175.80000111.8E27 E30 L371 T372 Y375E27-S369 PolarHBondContact OE1-N 3.48Å; E27-S369 VanDerWaalsContact OE2-CB 3.29Å; E27-S369 WeakPolarHBondContact OE2-CB 3.18Å; E27-S369 PolarHBondContact OE2-N 3.37Å; E30-S369 WeakPolarHBondContact OE1-CB 3.31Å; E30-S369 PolarHBondContact OE1-OG 3.32Å; S369-L371 PolarHBondContact O-N 3.2Å; S369-L371 PolarHBondContact OG-N 3.44Å; S369-T372 VanDerWaalsContact O-CB 3.29Å; S369-T372 WeakPolarHBondContact O-CB 3.36Å; S369-T372 PolarHBondContact O-N 2.89Å; S369-T372 PolarHBondContact O-OG1 3.15Å; S369-Y375 WeakPolarHBondContact O-CD2 3.47Å; S369-Y375 WeakPolarHBondContact O-CE2 3.35Å
370I90.9Very high93.8Very high48 Ų4838.8 Ų38.825%0.24619%0.186CC..THydrogen-bonded Turntrans-54.5-23.1167.2-174.6-174.3000113S276 T372 Y375 H467S276-I370 WeakPolarHBondContact OG-CD1 3.15Å; I370-T372 VanDerWaalsContact C-N 3.3Å; I370-Y375 HydrophobicContact CB-CE1 4.31Å; I370-Y375 HydrophobicContact CG1-CD1 4.32Å; I370-Y375 HydrophobicContact CG1-CE1 4.26Å; I370-H467 HydrophobicContact CG2-CB 4.33Å; I370-H467 VanDerWaalsContact CG2-ND1 3.26Å; I370-H467 WeakPolarHBondContact CG2-ND1 3.49Å
371L92.5Very high93.8Very high17 Ų1739 Ų399%0.08919%0.186CC..THydrogen-bonded Turntrans-81-10.5-179.8-60.6-172.7000113.5P9 F11 E30 S369P9-L371 HydrophobicContact CG-CD2 3.81Å; F11-L371 HydrophobicContact CZ-CD2 4.25Å; E30-L371 HydrophobicContact CB-CD1 4.16Å; E30-L371 HydrophobicContact CG-CB 4.26Å; E30-L371 HydrophobicContact CG-CD1 3.94Å; S369-L371 PolarHBondContact O-N 3.2Å; S369-L371 PolarHBondContact OG-N 3.44Å
372T94.8Very high93.8Very high13 Ų1335.3 Ų35.38%0.0817%0.169CC..SBendtrans-62.4140179.8-50.20000111.4H29 M83 Q84 S369 I370 Q374 Y375H29-T372 PolarHBondContact CE1-OG1 3.11Å; H29-T372 WeakPolarHBondContact NE2-CA 2.95Å; H29-T372 PolarHBondContact NE2-OG1 3.36Å; M83-T372 CarbonylContact O-C 3.51Å; M83-T372 WeakPolarHBondContact O-CA 3.33Å; Q84-T372 VanDerWaalsContact O-CG2 3.27Å; Q84-T372 WeakPolarHBondContact O-CG2 3.46Å; S369-T372 VanDerWaalsContact O-CB 3.29Å; S369-T372 WeakPolarHBondContact O-CB 3.36Å; S369-T372 PolarHBondContact O-N 2.89Å; S369-T372 PolarHBondContact O-OG1 3.15Å; I370-T372 VanDerWaalsContact C-N 3.3Å; T372-Q374 PolarHBondContact O-N 3.04Å; T372-Y375 VanDerWaalsContact O-CB 3.26Å; T372-Y375 WeakPolarHBondContact O-CB 3.47Å; T372-Y375 PolarHBondContact O-N 2.89Å; T372-Y375 VanDerWaalsContact O-N 3.1Å
373Y95.4Very high93.8Very high55 Ų5535.4 Ų35.422%0.21617%0.17CC..THydrogen-bonded Turntrans-57.1134.5173.8-178.3-114.2000110.6V64 Q80 T81 M83 Q84 Y375V64-Y373 HydrophobicContact CB-CE1 4.13Å; V64-Y373 HydrophobicContact CG1-CE1 3.99Å; V64-Y373 HydrophobicContact CG2-CE1 3.88Å; Q80-Y373 HydrophobicContact CB-CD2 4.33Å; Q80-Y373 WeakPolarHBondContact O-CB 3.07Å; T81-Y373 HydrophobicContact CG2-CD2 4.01Å; T81-Y373 HydrophobicContact CG2-CE2 3.51Å; M83-Y373 PolarHBondContact O-N 3.47Å; Q84-Y373 HydrophobicContact CG-CD1 4.23Å; Y373-Y375 PolarHBondContact O-N 3.41Å
374Q92.1Very high93.4Very high140 Ų14036.6 Ų36.665%0.65418%0.182SC*.THydrogen-bonded Turntrans53.332.7-175.8-63.7178.3-0.700113.6T372 I376T372-Q374 PolarHBondContact O-N 3.04Å; Q374-I376 WeakPolarHBondContact O-CG1 3.23Å; Q374-I376 PolarHBondContact O-N 3.14Å
375Y91.2Very high92.8Very high36 Ų3640 Ų4014%0.14120%0.198CC..  trans-46.8127.5178.1173-106.9000113Y366 Y368 S369 I370 T372 Y373 P377Y366-Y375 WeakPolarHBondContact CD1-OH 3.33Å; Y366-Y375 WeakPolarHBondContact CE1-OH 3.06Å; Y368-Y375 WeakPolarHBondContact O-CE2 3.45Å; S369-Y375 WeakPolarHBondContact O-CD2 3.47Å; S369-Y375 WeakPolarHBondContact O-CE2 3.35Å; I370-Y375 HydrophobicContact CB-CE1 4.31Å; I370-Y375 HydrophobicContact CG1-CD1 4.32Å; I370-Y375 HydrophobicContact CG1-CE1 4.26Å; T372-Y375 VanDerWaalsContact O-CB 3.26Å; T372-Y375 WeakPolarHBondContact O-CB 3.47Å; T372-Y375 PolarHBondContact O-N 2.89Å; T372-Y375 VanDerWaalsContact O-N 3.1Å; Y373-Y375 PolarHBondContact O-N 3.41Å; Y375-P377 HydrophobicContact CE1-CB 3.75Å; Y375-P377 HydrophobicContact CE1-CG 4.4Å; Y375-P377 WeakPolarHBondContact OH-CA 3.16Å
376I89.8Confident92Very high106 Ų10639.9 Ų39.954%0.54420%0.196SC..  trans-115.6122171.1-56.2176.5000106.9Q374 E378Q374-I376 WeakPolarHBondContact O-CG1 3.23Å; Q374-I376 PolarHBondContact O-N 3.14Å; I376-E378 HydrophobicContact CB-CG 4.42Å; I376-E378 HydrophobicContact CG2-CG 3.84Å; I376-E378 PolarHBondContact O-N 2.91Å
377P89.5Confident91.3Very high43 Ų4340.8 Ų40.828%0.27920%0.202SC..  trans-72.889.8-178.529.8-34.4000110.8P273 Y366 Y375P273-P377 HydrophobicContact CG-CB 4.25Å; Y366-P377 HydrophobicContact CE1-CB 4.01Å; Y375-P377 HydrophobicContact CE1-CB 3.75Å; Y375-P377 HydrophobicContact CE1-CG 4.4Å; Y375-P377 WeakPolarHBondContact OH-CA 3.16Å
378E93.3Very high90.3Very high89 Ų8942 Ų4242%0.41621%0.21SC..  trans-110.2135.4175.6-60.8-172.9166.500110Y366 T367 I376 H380Y366-E378 CarbonylContact C-O 3.48Å; Y366-E378 WeakPolarHBondContact CA-O 3.48Å; T367-E378 PolarHBondContact N-O 2.87Å; T367-E378 PolarHBondContact OG1-O 3Å; I376-E378 HydrophobicContact CB-CG 4.42Å; I376-E378 HydrophobicContact CG2-CG 3.84Å; I376-E378 PolarHBondContact O-N 2.91Å; E378-H380 IonicContact OE2-NE2 3.64Å
379I95.9Very high89.4Confident1 Ų145 Ų451%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-111.1129.4179.8-64.8-70.7000108.9I267 S268 F271 P273 I283 I364 C365 Y366I267-I379 HydrophobicContact CG2-CG2 4.23Å; S268-I379 VanDerWaalsContact CA-O 3.25Å; S268-I379 WeakPolarHBondContact CA-O 3.23Å; S268-I379 WeakPolarHBondContact CB-O 3.24Å; S268-I379 PolarHBondContact OG-O 3.09Å; F271-I379 HydrophobicContact CB-CB 3.86Å; F271-I379 HydrophobicContact CB-CG1 4.19Å; F271-I379 HydrophobicContact CB-CG2 3.82Å; F271-I379 HydrophobicContact CG-CG2 4.36Å; P273-I379 HydrophobicContact CG-CD1 4.37Å; P273-I379 HydrophobicContact CG-CG1 3.9Å; I283-I379 HydrophobicContact CD1-CD1 3.84Å; I283-I379 HydrophobicContact CD1-CG1 4.24Å; I283-I379 HydrophobicContact CG2-CD1 4.4Å; I283-I379 HydrophobicContact CG2-CG1 4.42Å; I283-I379 HydrophobicContact CG2-CG2 4.31Å; I364-I379 HydrophobicContact CB-CG2 3.91Å; I364-I379 HydrophobicContact CD1-CG2 3.67Å; I364-I379 HydrophobicContact CG1-CG2 4.07Å; C365-I379 WeakPolarHBondContact O-CA 3.17Å; Y366-I379 HydrophobicContact CD1-CD1 3.4Å; Y366-I379 HydrophobicContact CD1-CG1 4.19Å; Y366-I379 HydrophobicContact CD2-CD1 4.31Å; Y366-I379 HydrophobicContact CE1-CD1 3.54Å; Y366-I379 HydrophobicContact CE1-CG1 4.17Å; Y366-I379 HydrophobicContact CE2-CD1 4.4Å; Y366-I379 HydrophobicContact CG-CD1 3.83Å
380H95.8Very high88.7Confident36 Ų3649.1 Ų49.117%0.16726%0.258CS..EExtended strand (participates in β ladder)trans-134.7169.9-176.4-72.1-96.2000110.3N264 S268 I364 C365 T367 E378 C382N264-H380 PolarHBondContact ND2-ND1 3.44Å; N264-H380 VanDerWaalsContact ND2-ND1 3.14Å; N264-H380 VanDerWaalsContact OD1-CB 3.28Å; N264-H380 WeakPolarHBondContact OD1-CB 3.45Å; N264-H380 PolarHBondContact OD1-ND1 2.81Å; S268-H380 PolarHBondContact OG-CE1 3.33Å; S268-H380 PolarHBondContact OG-ND1 3.12Å; S268-H380 PolarHBondContact OG-NE2 3.45Å; I364-H380 CarbonylContact C-O 3.59Å; I364-H380 WeakPolarHBondContact CA-O 3.33Å; I364-H380 WeakPolarHBondContact CB-O 3.47Å; I364-H380 WeakPolarHBondContact CG2-O 3.09Å; C365-H380 PolarHBondContact N-O 3.25Å; C365-H380 VanDerWaalsContact N-O 3.12Å; C365-H380 PolarHBondContact O-N 3.31Å; C365-H380 VanDerWaalsContact O-N 3.09Å; T367-H380 PolarHBondContact OG1-CD2 3.46Å; T367-H380 PolarHBondContact OG1-NE2 2.87Å; E378-H380 IonicContact OE2-NE2 3.64Å; H380-C382 PolarHBondContact O-N 2.92Å
381L96.4Very high88Confident6 Ų648.8 Ų48.83%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-54131.3160-78.5-176.2000108.2I260 I263 N264 I267 F287 I359 I364 I383I260-L381 HydrophobicContact CG2-CD1 4.31Å; I263-L381 HydrophobicContact CG2-CD1 3.44Å; I263-L381 VanDerWaalsContact CG2-CD1 3.44Å; I263-L381 HydrophobicContact CG2-CG 4.3Å; N264-L381 PolarHBondContact OD1-N 3Å; I267-L381 HydrophobicContact CD1-CD2 3.39Å; I267-L381 HydrophobicContact CD1-CG 3.65Å; F287-L381 HydrophobicContact CZ-CD2 4.11Å; I359-L381 HydrophobicContact CG2-CD2 4.38Å; I364-L381 HydrophobicContact CG2-CD2 4.2Å; L381-I383 HydrophobicContact CB-CG2 3.99Å; L381-I383 PolarHBondContact O-N 3.31Å
382C96.1Very high87.2Confident0 Ų053.8 Ų53.80%028%0.284CS..SBendtrans-76.667.7-178.1-154.70000109.9I362 G363 C365 H380 R437 W476I362-C382 WeakPolarHBondContact CG2-O 3.28Å; G363-C382 PolarHBondContact O-N 3.09Å; C365-C382 HydrophobicContact CB-CB 3.75Å; C365-C382 WeakPolarHBondContact CB-SG 3.5Å; C365-C382 WeakPolarHBondContact SG-CA 3.34Å; C365-C382 WeakPolarHBondContact SG-CB 3.31Å; C365-C382 CovalentContact SG-SG 2.04Å; C365-C382 PolarHBondContact SG-SG 3.24Å; H380-C382 PolarHBondContact O-N 2.92Å; C382-R437 PolarHBondContact O-NH1 3.37Å; C382-R437 PolarHBondContact O-NH2 3.43Å; C382-R437 PolarHBondContact SG-NH2 2.86Å; C382-W476 HydrophobicContact CB-CZ2 4Å
383I94Very high86.8Confident11 Ų1153.8 Ų53.86%0.05628%0.284CS..  trans-102.7-13.9-177.858.1174.5000112.8V246 T247 L250 I260 I362 L381 L387V246-I383 HydrophobicContact CG1-CG2 4.29Å; T247-I383 HydrophobicContact CG2-CB 3.77Å; T247-I383 HydrophobicContact CG2-CD1 3.79Å; T247-I383 HydrophobicContact CG2-CG1 4.27Å; T247-I383 HydrophobicContact CG2-CG2 4.04Å; L250-I383 HydrophobicContact CD1-CG2 3.91Å; I260-I383 HydrophobicContact CG2-CD1 4.49Å; I362-I383 HydrophobicContact CG2-CG2 4.13Å; L381-I383 HydrophobicContact CB-CG2 3.99Å; L381-I383 PolarHBondContact O-N 3.31Å; I383-L387 HydrophobicContact CD1-CD2 4.01Å
384G90.7Very high86.5Confident24 Ų2457.8 Ų57.825%0.24731%0.309CS..  trans78.4-169-179.600000114.4R431 D432G384-R431 WeakPolarHBondContact CA-O 3.25Å; G384-D432 CarbonylContact C-O 3.26Å; G384-D432 WeakPolarHBondContact CA-O 3.49Å
385H84.6Confident86.5Confident74 Ų7453.8 Ų53.834%0.34329%0.29SS..SBendtrans-89.3-19.1-178.4-68.2-74.2000112.9Y368 L387 D432Y368-H385 AromaticContact CE1-CE1 3.47Å; Y368-H385 VanDerWaalsContact CE1-CE1 3.47Å; Y368-H385 WeakPolarHBondContact CE1-CE1 3.42Å; Y368-H385 AromaticContact CE1-NE2 3.52Å; Y368-H385 AromaticContact CZ-CE1 3.88Å; H385-L387 PolarHBondContact O-N 3.27Å; H385-D432 IonicContact CD2-OD1 3.75Å; H385-D432 PolarHBondContact N-O 2.79Å; H385-D432 IonicContact NE2-OD1 3.19Å
386N79.2Confident86.7Confident1 Ų154.2 Ų54.21%0.00529%0.292CS..  trans-77.4106176.9-71.6-45.7000112.3I245 T391 G433 Y434I245-N386 HydrophobicContact CG1-CB 4.31Å; N386-T391 PolarHBondContact OD1-OG1 3.46Å; N386-G433 PolarHBondContact ND2-O 3.41Å; N386-G433 VanDerWaalsContact ND2-O 3.07Å; N386-Y434 WeakPolarHBondContact ND2-CD1 3.31Å; N386-Y434 WeakPolarHBondContact ND2-CE1 3.33Å; N386-Y434 VanDerWaalsContact ND2-CG 3.28Å; N386-Y434 WeakPolarHBondContact OD1-CE1 3.47Å; N386-Y434 PolarHBondContact OD1-OH 2.88Å
387L80.1Confident87Confident35 Ų3552.4 Ų52.418%0.18328%0.283CS..BIsolated β-bridgetrans-110.6152.4166.5-48172.3000109.2T247 I383 H385 N389 T390 T391T247-L387 HydrophobicContact CG2-CD2 3.54Å; I383-L387 HydrophobicContact CD1-CD2 4.01Å; H385-L387 PolarHBondContact O-N 3.27Å; L387-N389 PolarHBondContact O-N 3.28Å; L387-T390 WeakPolarHBondContact CB-OG1 3.08Å; L387-T390 PolarHBondContact N-O 3.05Å; L387-T390 CarbonylContact O-C 3.54Å; L387-T390 PolarHBondContact O-N 3.34Å; L387-T391 PolarHBondContact O-N 3.42Å
388P71.6Confident87.3Confident54 Ų5451 Ų5135%0.35127%0.274SS..THydrogen-bonded Turntrans-61.2-17.7-171.8-26.136.8000115.4I245 T247 N248 F251I245-P388 HydrophobicContact CG2-CG 4.27Å; T247-P388 WeakPolarHBondContact OG1-CD 3.18Å; N248-P388 WeakPolarHBondContact OD1-CG 3.46Å; F251-P388 HydrophobicContact CD2-CG 4.09Å; F251-P388 HydrophobicContact CE2-CG 3.63Å
389N72.8Confident87.5Confident157 Ų15750.3 Ų50.384%0.8428%0.276SS*.THydrogen-bonded Turntrans-107.3-4.9177.7-62.5-22000113.1L387L387-N389 PolarHBondContact O-N 3.28Å
390T76Confident87.5Confident85 Ų8555.3 Ų55.352%0.52131%0.311SS..BIsolated β-bridgetrans-143.367.5-177.360.90000107.7L387L387-T390 WeakPolarHBondContact CB-OG1 3.08Å; L387-T390 PolarHBondContact N-O 3.05Å; L387-T390 CarbonylContact O-C 3.54Å; L387-T390 PolarHBondContact O-N 3.34Å
391T76.5Confident87.5Confident41 Ų4161.7 Ų61.725%0.25234%0.338SS..  trans-130.7142173.7-176.30000109.4I245 N386 L387 I393I245-T391 HydrophobicContact CD1-CG2 4.23Å; N386-T391 PolarHBondContact OD1-OG1 3.46Å; L387-T391 PolarHBondContact O-N 3.42Å; T391-I393 VanDerWaalsContact CG2-O 3.28Å; T391-I393 WeakPolarHBondContact CG2-O 3.46Å; T391-I393 PolarHBondContact OG1-N 3.41Å; T391-I393 PolarHBondContact OG1-O 3.34Å
392L76.1Confident87.6Confident122 Ų12263.2 Ų63.264%0.63935%0.346SS*.SBendtrans-77.3-14.4174.2-64.1175.6000111.6
393I84.9Confident87.7Confident14 Ų1464.2 Ų64.27%0.07235%0.351CS..SBendtrans-146143.6-167.9-170.6157.6000112.6A54 W109 T110 V243 T391 Y434A54-I393 HydrophobicContact CB-CD1 3.3Å; W109-I393 HydrophobicContact CH2-CD1 3.74Å; W109-I393 HydrophobicContact CH2-CG1 4.46Å; W109-I393 HydrophobicContact CZ3-CD1 3.73Å; W109-I393 HydrophobicContact CZ3-CG1 4.06Å; T110-I393 HydrophobicContact CG2-CD1 3.42Å; T110-I393 VanDerWaalsContact CG2-CD1 3.42Å; T110-I393 HydrophobicContact CG2-CG1 4.11Å; V243-I393 HydrophobicContact CB-CG2 4.47Å; V243-I393 HydrophobicContact CG1-CG2 3.86Å; V243-I393 HydrophobicContact CG2-CD1 4.05Å; V243-I393 HydrophobicContact CG2-CG2 4.25Å; T391-I393 VanDerWaalsContact CG2-O 3.28Å; T391-I393 WeakPolarHBondContact CG2-O 3.46Å; T391-I393 PolarHBondContact OG1-N 3.41Å; T391-I393 PolarHBondContact OG1-O 3.34Å; I393-Y434 HydrophobicContact CG2-CD1 3.99Å; I393-Y434 HydrophobicContact CG2-CE1 3.64Å
394D89Confident87.9Confident139 Ų13968.8 Ų68.874%0.74338%0.376SS*.  trans-73.6145.5175.2-70.6-38.6000111.7Y396D394-Y396 PolarHBondContact O-N 3.08Å
395E93Very high88.2Confident55 Ų5571.9 Ų71.926%0.25738%0.382SS..  trans-58.7124.3172.9179.2169.7-93.800110.5H244 I245 N248 K252 L397H244-E395 IonicContact CD2-OE1 3.84Å; H244-E395 PolarHBondContact CD2-OE1 3.41Å; I245-E395 HydrophobicContact CD1-CB 3.87Å; I245-E395 HydrophobicContact CG1-CB 3.95Å; I245-E395 PolarHBondContact N-OE1 2.94Å; I245-E395 VanDerWaalsContact N-OE1 3.09Å; N248-E395 PolarHBondContact ND2-OE1 2.75Å; N248-E395 PolarHBondContact ND2-OE2 3.4Å; K252-E395 IonicContact NZ-OE2 2.78Å; K252-E395 PolarHBondContact NZ-OE2 2.79Å; E395-L397 HydrophobicContact CG-CD1 4.48Å; E395-L397 HydrophobicContact CG-CD2 3.96Å; E395-L397 HydrophobicContact CG-CG 3.91Å
396Y95.4Very high88.9Confident46 Ų4668.4 Ų68.418%0.1837%0.366CS..BIsolated β-bridgetrans-131.1101.3175.6-179.3-100.6000110Y108 W109 G242 V243 D394 P398 D402 L406Y108-Y396 PolarHBondContact OH-OH 2.99Å; W109-Y396 HydrophobicContact CB-CD2 4.13Å; W109-Y396 HydrophobicContact CB-CE2 3.94Å; W109-Y396 HydrophobicContact CB-CG 4.49Å; W109-Y396 AromaticContact CD1-CD1 3.85Å; W109-Y396 AromaticContact CD1-CE1 3.49Å; W109-Y396 VanDerWaalsContact CD1-CE1 3.49Å; W109-Y396 AromaticContact CD1-CZ 3.8Å; W109-Y396 AromaticContact CD2-CD1 3.51Å; W109-Y396 HydrophobicContact CD2-CD1 3.51Å; W109-Y396 HydrophobicContact CD2-CD2 4.09Å; W109-Y396 AromaticContact CD2-CE1 3.97Å; W109-Y396 HydrophobicContact CD2-CE1 3.97Å; W109-Y396 HydrophobicContact CD2-CE2 4.5Å; W109-Y396 AromaticContact CD2-CG 3.56Å; W109-Y396 HydrophobicContact CD2-CG 3.56Å; W109-Y396 AromaticContact CE2-CD1 3.49Å; W109-Y396 VanDerWaalsContact CE2-CD1 3.49Å; W109-Y396 AromaticContact CE2-CE1 3.93Å; W109-Y396 VanDerWaalsContact CE3-CB 3.43Å; W109-Y396 AromaticContact CE3-CD1 3.96Å; W109-Y396 HydrophobicContact CE3-CD1 3.96Å; W109-Y396 HydrophobicContact CE3-CD2 4.14Å; W109-Y396 AromaticContact CE3-CG 3.58Å; W109-Y396 HydrophobicContact CE3-CG 3.58Å; W109-Y396 AromaticContact CG-CD1 3.82Å; W109-Y396 HydrophobicContact CG-CD1 3.82Å; W109-Y396 HydrophobicContact CG-CD2 4.07Å; W109-Y396 AromaticContact CG-CE1 3.78Å; W109-Y396 HydrophobicContact CG-CE1 3.78Å; W109-Y396 HydrophobicContact CG-CE2 4.03Å; W109-Y396 AromaticContact CG-CG 3.96Å; W109-Y396 HydrophobicContact CG-CG 3.96Å; W109-Y396 AromaticContact CG-CZ 3.87Å; W109-Y396 HydrophobicContact CH2-CD1 4.42Å; W109-Y396 HydrophobicContact CZ2-CD1 4.01Å; W109-Y396 VanDerWaalsContact CZ3-CB 3.46Å; W109-Y396 HydrophobicContact CZ3-CD1 4.37Å; W109-Y396 HydrophobicContact CZ3-CG 4.06Å; W109-Y396 AromaticContact NE1-CD1 3.65Å; W109-Y396 AromaticContact NE1-CE1 3.58Å; G242-Y396 CarbonylContact C-O 3.59Å; G242-Y396 WeakPolarHBondContact CA-O 3.39Å; V243-Y396 PolarHBondContact N-O 3.32Å; V243-Y396 CarbonylContact O-C 3.19Å; V243-Y396 PolarHBondContact O-N 2.93Å; V243-Y396 VanDerWaalsContact O-O 3.11Å; D394-Y396 PolarHBondContact O-N 3.08Å; Y396-P398 HydrophobicContact CD1-CB 4.47Å; Y396-P398 HydrophobicContact CE1-CB 3.9Å; Y396-P398 VanDerWaalsContact O-CD 3.27Å; Y396-P398 WeakPolarHBondContact O-CD 3.25Å; Y396-D402 WeakPolarHBondContact OH-CB 3.32Å; Y396-L406 HydrophobicContact CE1-CD1 4.21Å
397L95.7Very high89.8Confident67 Ų6768.8 Ų68.835%0.35137%0.369SS..  trans-94.6102.5178.8-56.1-175.4000109.7H244 E395 P436 W438H244-L397 HydrophobicContact CB-CD2 3.81Å; E395-L397 HydrophobicContact CG-CD1 4.48Å; E395-L397 HydrophobicContact CG-CD2 3.96Å; E395-L397 HydrophobicContact CG-CG 3.91Å; L397-P436 HydrophobicContact CD2-CG 4.42Å; L397-W438 HydrophobicContact CD1-CH2 4.05Å; L397-W438 HydrophobicContact CD1-CZ2 4.3Å; L397-W438 HydrophobicContact CD2-CH2 3.62Å; L397-W438 HydrophobicContact CD2-CZ2 4Å; L397-W438 HydrophobicContact CG-CH2 4.4Å
398P96.5Very high90.7Very high13 Ų1371.2 Ų71.28%0.08438%0.382CS..  trans-72.1140.3-170.631.9-38.6000111.3F241 Y396 D402 L403 L439F241-P398 WeakPolarHBondContact O-CB 3.45Å; F241-P398 VanDerWaalsContact O-CG 3.28Å; F241-P398 WeakPolarHBondContact O-CG 3.47Å; Y396-P398 HydrophobicContact CD1-CB 4.47Å; Y396-P398 HydrophobicContact CE1-CB 3.9Å; Y396-P398 VanDerWaalsContact O-CD 3.27Å; Y396-P398 WeakPolarHBondContact O-CD 3.25Å; P398-D402 HydrophobicContact CB-CB 4.02Å; P398-L403 HydrophobicContact CB-CD2 3.86Å; P398-L403 HydrophobicContact CB-CG 3.98Å; P398-L403 HydrophobicContact CG-CD2 3.64Å; P398-L403 HydrophobicContact CG-CG 4.05Å; P398-L439 HydrophobicContact CG-CD1 3.72Å
399T96.6Very high91.9Very high76 Ų7669 Ų6947%0.46637%0.367SS..  trans-77.7168.1164.271.80000110.6K401 D402 L403T399-K401 PolarHBondContact O-N 3.02Å; T399-K401 VanDerWaalsContact O-N 3.16Å; T399-K401 PolarHBondContact OG1-N 3.43Å; T399-D402 VanDerWaalsContact CB-OD2 3.29Å; T399-D402 WeakPolarHBondContact CB-OD2 3.45Å; T399-D402 WeakPolarHBondContact CG2-OD2 3.32Å; T399-D402 PolarHBondContact N-OD2 2.94Å; T399-D402 WeakPolarHBondContact O-CB 3.48Å; T399-D402 PolarHBondContact O-N 2.74Å; T399-D402 VanDerWaalsContact OG1-CG 3.23Å; T399-D402 PolarHBondContact OG1-N 2.85Å; T399-D402 PolarHBondContact OG1-OD2 3.47Å; T399-L403 PolarHBondContact O-N 3.48Å
400S96.1Very high93.2Very high106 Ų10661.5 Ų61.574%0.74133%0.327SS*.Hα-helixtrans-57.6-31.1173.8-47.50000113.1L404S400-L404 PolarHBondContact O-N 3.39Å; S400-L404 VanDerWaalsContact O-N 3.15Å
401K97.2Very high94.3Very high169 Ų16959.4 Ų59.474%0.73531%0.314SS*.Hα-helixtrans-71.3-38.1175.6-176.2-178.3175.7-174.30111.3T399 L404 K405T399-K401 PolarHBondContact O-N 3.02Å; T399-K401 VanDerWaalsContact O-N 3.16Å; T399-K401 PolarHBondContact OG1-N 3.43Å; K401-L404 PolarHBondContact O-N 3.16Å; K401-K405 PolarHBondContact O-N 3.41Å
402D97.5Very high95.3Very high38 Ų3861.8 Ų61.820%0.20332%0.322CS..Hα-helixtrans-68.3-44.1178.1-57.4-42.9000111Y396 P398 T399 L404 K405 L406Y396-D402 WeakPolarHBondContact OH-CB 3.32Å; P398-D402 HydrophobicContact CB-CB 4.02Å; T399-D402 VanDerWaalsContact CB-OD2 3.29Å; T399-D402 WeakPolarHBondContact CB-OD2 3.45Å; T399-D402 WeakPolarHBondContact CG2-OD2 3.32Å; T399-D402 PolarHBondContact N-OD2 2.94Å; T399-D402 WeakPolarHBondContact O-CB 3.48Å; T399-D402 PolarHBondContact O-N 2.74Å; T399-D402 VanDerWaalsContact OG1-CG 3.23Å; T399-D402 PolarHBondContact OG1-N 2.85Å; T399-D402 PolarHBondContact OG1-OD2 3.47Å; D402-L404 VanDerWaalsContact C-N 3.33Å; D402-L404 PolarHBondContact O-N 3.18Å; D402-K405 PolarHBondContact O-N 2.71Å; D402-K405 VanDerWaalsContact O-N 3.13Å; D402-L406 WeakPolarHBondContact O-CG 3.35Å; D402-L406 PolarHBondContact O-N 3.49Å
403L97.8Very high96.4Very high21 Ų2156 Ų5611%0.1129%0.291CS..Hα-helixtrans-55.8-47173.2-71.5178.6000111.4F241 P398 T399 K405 L406 A407 L439 I443 M446F241-L403 HydrophobicContact CB-CD2 4.06Å; F241-L403 HydrophobicContact CD1-CD2 4.43Å; P398-L403 HydrophobicContact CB-CD2 3.86Å; P398-L403 HydrophobicContact CB-CG 3.98Å; P398-L403 HydrophobicContact CG-CD2 3.64Å; P398-L403 HydrophobicContact CG-CG 4.05Å; T399-L403 PolarHBondContact O-N 3.48Å; L403-K405 VanDerWaalsContact C-N 3.33Å; L403-K405 PolarHBondContact O-N 3.39Å; L403-L406 PolarHBondContact O-N 3.04Å; L403-A407 VanDerWaalsContact O-CB 3.26Å; L403-A407 WeakPolarHBondContact O-CB 3.49Å; L403-A407 PolarHBondContact O-N 2.98Å; L403-L439 HydrophobicContact CD1-CD1 4.46Å; L403-I443 HydrophobicContact CD2-CG1 4.16Å; L403-M446 HydrophobicContact CD2-CE 4.44Å
404L97.9Very high97Very high108 Ų10855.3 Ų55.357%0.56529%0.288SS*.Hα-helixtrans-60.9-41.517717961.8000112.1S400 K401 D402 A407 I408S400-L404 PolarHBondContact O-N 3.39Å; S400-L404 VanDerWaalsContact O-N 3.15Å; K401-L404 PolarHBondContact O-N 3.16Å; D402-L404 VanDerWaalsContact C-N 3.33Å; D402-L404 PolarHBondContact O-N 3.18Å; L404-A407 PolarHBondContact O-N 3.15Å; L404-I408 HydrophobicContact CD1-CD1 4.37Å; L404-I408 HydrophobicContact CG-CD1 4.21Å; L404-I408 VanDerWaalsContact O-CG1 3.3Å; L404-I408 WeakPolarHBondContact O-CG1 3.46Å; L404-I408 PolarHBondContact O-N 3.15Å
405K98.1Very high97.4Very high89 Ų8954.2 Ų54.239%0.38728%0.282SS..Hα-helixtrans-65.2-44.7178.2-177.1-178.5169.3-1600111.5Y108 K401 D402 L403 A407 I408 Q409Y108-K405 HydrophobicContact CE1-CD 3.9Å; Y108-K405 HydrophobicContact CE1-CG 4.2Å; Y108-K405 VanDerWaalsContact CE2-NZ 3.33Å; K401-K405 PolarHBondContact O-N 3.41Å; D402-K405 PolarHBondContact O-N 2.71Å; D402-K405 VanDerWaalsContact O-N 3.13Å; L403-K405 VanDerWaalsContact C-N 3.33Å; L403-K405 PolarHBondContact O-N 3.39Å; K405-A407 VanDerWaalsContact C-N 3.33Å; K405-I408 PolarHBondContact O-N 2.88Å; K405-Q409 WeakPolarHBondContact O-CG 3.3Å; K405-Q409 PolarHBondContact O-N 3.07Å; K405-Q409 VanDerWaalsContact O-N 3.17Å
406L98.3Very high97.6Very high0 Ų052 Ų520%027%0.272CS..Hα-helixtrans-62.8-41.5175.9-72162.8000110.9P107 Y108 F240 F241 Y396 D402 L403 I408 Q409 F410P107-L406 HydrophobicContact CB-CD2 3.81Å; Y108-L406 HydrophobicContact CD1-CD2 3.73Å; Y108-L406 HydrophobicContact CE1-CD2 3.49Å; Y108-L406 VanDerWaalsContact CE1-CD2 3.49Å; Y108-L406 HydrophobicContact CE1-CG 3.82Å; F240-L406 HydrophobicContact CE1-CB 4.41Å; F240-L406 HydrophobicContact CE1-CD2 4.02Å; F240-L406 HydrophobicContact CZ-CD2 4.4Å; F241-L406 HydrophobicContact CD1-CB 3.7Å; F241-L406 HydrophobicContact CE1-CB 3.89Å; F241-L406 WeakPolarHBondContact O-CD1 3.5Å; Y396-L406 HydrophobicContact CE1-CD1 4.21Å; D402-L406 WeakPolarHBondContact O-CG 3.35Å; D402-L406 PolarHBondContact O-N 3.49Å; L403-L406 PolarHBondContact O-N 3.04Å; L406-I408 PolarHBondContact O-N 3.12Å; L406-Q409 PolarHBondContact O-N 3.09Å; L406-F410 VanDerWaalsContact O-CB 3.26Å; L406-F410 WeakPolarHBondContact O-CB 3.32Å; L406-F410 PolarHBondContact O-N 3.2Å
407A98.7Very high97.7Very high9 Ų950.5 Ų50.57%0.07427%0.267CS..Hα-helixtrans-61.3-40.3176.100000113.1L403 L404 K405 T411 M446 I450L403-A407 VanDerWaalsContact O-CB 3.26Å; L403-A407 WeakPolarHBondContact O-CB 3.49Å; L403-A407 PolarHBondContact O-N 2.98Å; L404-A407 PolarHBondContact O-N 3.15Å; K405-A407 VanDerWaalsContact C-N 3.33Å; A407-T411 WeakPolarHBondContact O-CB 3.25Å; A407-T411 PolarHBondContact O-N 3.26Å; A407-T411 PolarHBondContact O-OG1 2.96Å; A407-M446 HydrophobicContact CB-CE 4.22Å; A407-M446 HydrophobicContact CB-CG 4.19Å; A407-M446 HydrophobicContact CB-SD 3.51Å; A407-M446 VanDerWaalsContact CB-SD 3.51Å; A407-I450 HydrophobicContact CB-CD1 4.04Å
408I98.5Very high97.5Very high87 Ų8749.6 Ų49.645%0.44627%0.265SS..Hα-helixtrans-63-46.6175.6-71164.6000110.4L404 K405 L406 T411 Q412L404-I408 HydrophobicContact CD1-CD1 4.37Å; L404-I408 HydrophobicContact CG-CD1 4.21Å; L404-I408 VanDerWaalsContact O-CG1 3.3Å; L404-I408 WeakPolarHBondContact O-CG1 3.46Å; L404-I408 PolarHBondContact O-N 3.15Å; K405-I408 PolarHBondContact O-N 2.88Å; L406-I408 PolarHBondContact O-N 3.12Å; I408-T411 PolarHBondContact O-N 3.2Å; I408-Q412 VanDerWaalsContact O-CG 3.31Å; I408-Q412 WeakPolarHBondContact O-CG 2.91Å; I408-Q412 PolarHBondContact O-N 2.88Å
409Q98.2Very high97.3Very high7 Ų750.3 Ų50.33%0.03327%0.266CS..Hα-helixtrans-64.5-46.3178.5-68169.1-16.900111.6Y108 S180 K405 L406 T411 Q412 I413Y108-Q409 VanDerWaalsContact CD1-OE1 3.22Å; S180-Q409 PolarHBondContact OG-OE1 2.87Å; K405-Q409 WeakPolarHBondContact O-CG 3.3Å; K405-Q409 PolarHBondContact O-N 3.07Å; K405-Q409 VanDerWaalsContact O-N 3.17Å; L406-Q409 PolarHBondContact O-N 3.09Å; Q409-T411 VanDerWaalsContact C-N 3.31Å; Q409-T411 PolarHBondContact O-N 3.37Å; Q409-Q412 WeakPolarHBondContact O-CB 3.21Å; Q409-Q412 PolarHBondContact O-N 3.32Å; Q409-Q412 VanDerWaalsContact O-N 3.08Å; Q409-I413 WeakPolarHBondContact O-CD1 3.42Å; Q409-I413 WeakPolarHBondContact O-CG1 3.39Å; Q409-I413 PolarHBondContact O-N 3.45Å
410F98.7Very high97.2Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-54.4-48174.1179.1-105.6000111I52 I236 F240 F241 L406 Q412 I413 L414 I447 I450 I451I52-F410 HydrophobicContact CD1-CD2 4.01Å; I52-F410 HydrophobicContact CD1-CE2 3.74Å; I52-F410 HydrophobicContact CG2-CD2 4.27Å; I52-F410 HydrophobicContact CG2-CE2 4.41Å; I236-F410 HydrophobicContact CD1-CE2 4.11Å; I236-F410 HydrophobicContact CD1-CZ 3.82Å; I236-F410 HydrophobicContact CG1-CE2 4.23Å; I236-F410 HydrophobicContact CG1-CZ 4.43Å; I236-F410 HydrophobicContact CG2-CE2 4.04Å; I236-F410 HydrophobicContact CG2-CZ 4.35Å; F240-F410 HydrophobicContact CE1-CB 4.37Å; F241-F410 HydrophobicContact CE1-CB 4.49Å; F241-F410 HydrophobicContact CZ-CB 4.01Å; F241-F410 HydrophobicContact CZ-CD1 4.19Å; F241-F410 HydrophobicContact CZ-CD2 4.23Å; F241-F410 AromaticContact CZ-CG 3.89Å; F241-F410 HydrophobicContact CZ-CG 3.89Å; L406-F410 VanDerWaalsContact O-CB 3.26Å; L406-F410 WeakPolarHBondContact O-CB 3.32Å; L406-F410 PolarHBondContact O-N 3.2Å; F410-Q412 VanDerWaalsContact C-N 3.34Å; F410-Q412 PolarHBondContact O-N 3.07Å; F410-I413 WeakPolarHBondContact O-CB 3.48Å; F410-I413 PolarHBondContact O-N 3.33Å; F410-L414 HydrophobicContact CD1-CD1 4.15Å; F410-L414 HydrophobicContact CE1-CD1 3.51Å; F410-L414 HydrophobicContact CE1-CG 4.22Å; F410-L414 HydrophobicContact CE2-CD1 4.39Å; F410-L414 HydrophobicContact CE2-CD2 4.38Å; F410-L414 HydrophobicContact CE2-CG 4.43Å; F410-L414 HydrophobicContact CZ-CD1 3.64Å; F410-L414 HydrophobicContact CZ-CD2 4.33Å; F410-L414 HydrophobicContact CZ-CG 4.16Å; F410-L414 WeakPolarHBondContact O-CG 3.47Å; F410-L414 PolarHBondContact O-N 2.84Å; F410-I447 HydrophobicContact CE1-CG2 4.28Å; F410-I447 HydrophobicContact CZ-CG2 4.05Å; F410-I450 HydrophobicContact CD1-CB 4.31Å; F410-I450 HydrophobicContact CD1-CD1 3.86Å; F410-I450 HydrophobicContact CD1-CG2 3.91Å; F410-I450 HydrophobicContact CE1-CB 4.17Å; F410-I450 HydrophobicContact CE1-CD1 4.4Å; F410-I450 HydrophobicContact CE1-CG2 3.94Å; F410-I451 HydrophobicContact CE1-CG1 4.34Å; F410-I451 HydrophobicContact CZ-CD1 4.32Å; F410-I451 HydrophobicContact CZ-CG1 4.29Å
411T98.7Very high97.2Very high40 Ų4046 Ų4625%0.24523%0.232CC..Hα-helixtrans-58.9-43.9175.2-56.60000112A407 I408 Q409 I413 L414 L415 I450 V454A407-T411 WeakPolarHBondContact O-CB 3.25Å; A407-T411 PolarHBondContact O-N 3.26Å; A407-T411 PolarHBondContact O-OG1 2.96Å; I408-T411 PolarHBondContact O-N 3.2Å; Q409-T411 VanDerWaalsContact C-N 3.31Å; Q409-T411 PolarHBondContact O-N 3.37Å; T411-I413 VanDerWaalsContact C-N 3.35Å; T411-I413 PolarHBondContact O-N 3.49Å; T411-L414 PolarHBondContact O-N 3.25Å; T411-L415 HydrophobicContact CG2-CD1 3.9Å; T411-L415 HydrophobicContact CG2-CG 4.34Å; T411-L415 WeakPolarHBondContact O-CB 3.41Å; T411-L415 VanDerWaalsContact O-CG 3.28Å; T411-L415 WeakPolarHBondContact O-CG 3.47Å; T411-L415 PolarHBondContact O-N 3.06Å; T411-I450 HydrophobicContact CG2-CG2 4.29Å; T411-I450 WeakPolarHBondContact OG1-CG2 3.05Å; T411-V454 HydrophobicContact CG2-CG2 4.46Å
412Q98.5Very high97Very high91 Ų9140.1 Ų40.143%0.42521%0.208SC..Hα-helixtrans-64.3-37.8177.7-72.7172.4-12.900112.7S184 I408 Q409 F410 S416S184-Q412 WeakPolarHBondContact CB-O 3.32Å; I408-Q412 VanDerWaalsContact O-CG 3.31Å; I408-Q412 WeakPolarHBondContact O-CG 2.91Å; I408-Q412 PolarHBondContact O-N 2.88Å; Q409-Q412 WeakPolarHBondContact O-CB 3.21Å; Q409-Q412 PolarHBondContact O-N 3.32Å; Q409-Q412 VanDerWaalsContact O-N 3.08Å; F410-Q412 VanDerWaalsContact C-N 3.34Å; F410-Q412 PolarHBondContact O-N 3.07Å; Q412-S416 WeakPolarHBondContact O-CB 3.22Å; Q412-S416 PolarHBondContact O-N 3.14Å; Q412-S416 VanDerWaalsContact O-N 3.16Å
413I98.6Very high97Very high0 Ų038.9 Ų38.90%020%0.201CC..Hα-helixtrans-60.7-52.3173.2-69.3156.1000109.3I52 I105 A183 L187 Q409 F410 T411 L415 S416I52-I413 HydrophobicContact CD1-CG2 3.99Å; I105-I413 HydrophobicContact CD1-CG2 3.57Å; I105-I413 HydrophobicContact CG2-CD1 3.66Å; I105-I413 HydrophobicContact CG2-CG1 4.44Å; A183-I413 HydrophobicContact CB-CD1 4.33Å; A183-I413 HydrophobicContact CB-CG1 3.93Å; L187-I413 HydrophobicContact CD1-CG2 4.09Å; Q409-I413 WeakPolarHBondContact O-CD1 3.42Å; Q409-I413 WeakPolarHBondContact O-CG1 3.39Å; Q409-I413 PolarHBondContact O-N 3.45Å; F410-I413 WeakPolarHBondContact O-CB 3.48Å; F410-I413 PolarHBondContact O-N 3.33Å; T411-I413 VanDerWaalsContact C-N 3.35Å; T411-I413 PolarHBondContact O-N 3.49Å; I413-L415 VanDerWaalsContact C-N 3.35Å; I413-L415 PolarHBondContact O-N 2.92Å; I413-S416 WeakPolarHBondContact O-CB 3.45Å; I413-S416 PolarHBondContact O-N 3.24Å; I413-S416 PolarHBondContact O-OG 2.96Å
414L98.6Very high97Very high1 Ų137.9 Ų37.91%0.00520%0.196CC..Hα-helixtrans-62.4-40.6-178.4-61.4-170.4000112.7I52 L234 F410 T411 S416 I417 I450 I451 V454 F455I52-L414 HydrophobicContact CD1-CD2 4.34Å; L234-L414 HydrophobicContact CD1-CD2 4.11Å; L234-L414 HydrophobicContact CD2-CD2 3.59Å; L234-L414 HydrophobicContact CG-CD2 4.5Å; F410-L414 HydrophobicContact CD1-CD1 4.15Å; F410-L414 HydrophobicContact CE1-CD1 3.51Å; F410-L414 HydrophobicContact CE1-CG 4.22Å; F410-L414 HydrophobicContact CE2-CD1 4.39Å; F410-L414 HydrophobicContact CE2-CD2 4.38Å; F410-L414 HydrophobicContact CE2-CG 4.43Å; F410-L414 HydrophobicContact CZ-CD1 3.64Å; F410-L414 HydrophobicContact CZ-CD2 4.33Å; F410-L414 HydrophobicContact CZ-CG 4.16Å; F410-L414 WeakPolarHBondContact O-CG 3.47Å; F410-L414 PolarHBondContact O-N 2.84Å; T411-L414 PolarHBondContact O-N 3.25Å; L414-S416 PolarHBondContact O-N 2.8Å; L414-I417 HydrophobicContact CD2-CD1 4.06Å; L414-I417 WeakPolarHBondContact O-CB 3.27Å; L414-I417 PolarHBondContact O-N 3.31Å; L414-I450 HydrophobicContact CD1-CG2 4Å; L414-I451 HydrophobicContact CD1-CG1 3.79Å; L414-V454 HydrophobicContact CB-CG1 3.95Å; L414-V454 HydrophobicContact CB-CG2 4.37Å; L414-F455 HydrophobicContact CB-CZ 4.29Å; L414-F455 HydrophobicContact CD1-CE2 4.15Å; L414-F455 HydrophobicContact CD2-CE2 4.4Å; L414-F455 HydrophobicContact CD2-CZ 4.39Å
415L97.5Very high97.1Very high116 Ų11632.7 Ų32.761%0.60717%0.169SC*.Hα-helixtrans-65.8-19.1175.3-71.9172.1000113.5T411 I413 I417 V454T411-L415 HydrophobicContact CG2-CD1 3.9Å; T411-L415 HydrophobicContact CG2-CG 4.34Å; T411-L415 WeakPolarHBondContact O-CB 3.41Å; T411-L415 VanDerWaalsContact O-CG 3.28Å; T411-L415 WeakPolarHBondContact O-CG 3.47Å; T411-L415 PolarHBondContact O-N 3.06Å; I413-L415 VanDerWaalsContact C-N 3.35Å; I413-L415 PolarHBondContact O-N 2.92Å; L415-I417 VanDerWaalsContact C-N 3.33Å; L415-V454 HydrophobicContact CD2-CG1 4.19Å; L415-V454 HydrophobicContact CD2-CG2 4.22Å; L415-V454 HydrophobicContact CG-CG2 4.37Å
416S96.7Very high97.1Very high7 Ų728.5 Ų28.55%0.04915%0.151CC..Hα-helixtrans-81.2-14.3177.478.80000113.5S184 L187 Q412 I413 L414 P418S184-S416 WeakPolarHBondContact O-CB 3.48Å; L187-S416 WeakPolarHBondContact CD1-OG 3.37Å; Q412-S416 WeakPolarHBondContact O-CB 3.22Å; Q412-S416 PolarHBondContact O-N 3.14Å; Q412-S416 VanDerWaalsContact O-N 3.16Å; I413-S416 WeakPolarHBondContact O-CB 3.45Å; I413-S416 PolarHBondContact O-N 3.24Å; I413-S416 PolarHBondContact O-OG 2.96Å; L414-S416 PolarHBondContact O-N 2.8Å; S416-P418 WeakPolarHBondContact O-CD 3.47Å
417I96.4Very high97.1Very high16 Ų1628.5 Ų28.58%0.08215%0.151CC..  trans-70.9119.9-179.9-58.3177000109.1I50 L195 L232 L234 L414 L415 Y419 F455I50-I417 HydrophobicContact CD1-CD1 3.89Å; I50-I417 HydrophobicContact CD1-CG1 4Å; L195-I417 HydrophobicContact CD1-CB 4.44Å; L195-I417 HydrophobicContact CD1-CG1 4.29Å; L195-I417 HydrophobicContact CD1-CG2 4.25Å; L232-I417 HydrophobicContact CD2-CG2 3.4Å; L234-I417 HydrophobicContact CD1-CD1 4.41Å; L234-I417 HydrophobicContact CD2-CD1 4.41Å; L414-I417 HydrophobicContact CD2-CD1 4.06Å; L414-I417 WeakPolarHBondContact O-CB 3.27Å; L414-I417 PolarHBondContact O-N 3.31Å; L415-I417 VanDerWaalsContact C-N 3.33Å; I417-Y419 VanDerWaalsContact C-N 3.34Å; I417-Y419 WeakPolarHBondContact CG2-O 3.36Å; I417-Y419 PolarHBondContact O-N 3.48Å; I417-F455 HydrophobicContact CD1-CZ 4.24Å
418P92.9Very high97Very high47 Ų4728.1 Ų28.131%0.30515%0.147SC..SBendtrans-79.9-10.3-168.225.3-28.3000115.2L195 N196 S416L195-P418 HydrophobicContact CB-CG 3.56Å; L195-P418 HydrophobicContact CD1-CG 4.48Å; N196-P418 WeakPolarHBondContact OD1-CB 3.39Å; N196-P418 WeakPolarHBondContact OD1-CG 3.48Å; S416-P418 WeakPolarHBondContact O-CD 3.47Å
419Y92.1Very high96.8Very high29 Ų2924 Ų2411%0.11413%0.126CC..SBendtrans-149.7160.1178.658.1-85000110.4L199 H229 L232 I417L199-Y419 HydrophobicContact CD1-CD1 4.28Å; L199-Y419 HydrophobicContact CD1-CE1 4.23Å; L199-Y419 HydrophobicContact CD2-CD1 4.24Å; L199-Y419 HydrophobicContact CD2-CE1 3.45Å; L199-Y419 VanDerWaalsContact CD2-CE1 3.45Å; L199-Y419 HydrophobicContact CG-CE1 4.34Å; H229-Y419 HydrophobicContact CB-CD2 4.43Å; H229-Y419 HydrophobicContact CB-CE1 4.36Å; H229-Y419 HydrophobicContact CB-CE2 4.12Å; H229-Y419 AromaticContact CD2-CD2 3.9Å; H229-Y419 AromaticContact CE1-CD2 3.68Å; H229-Y419 AromaticContact CE1-CE2 3.95Å; H229-Y419 AromaticContact CG-CD2 3.87Å; H229-Y419 AromaticContact CG-CE2 3.86Å; H229-Y419 AromaticContact ND1-CD2 3.72Å; H229-Y419 AromaticContact ND1-CE2 3.57Å; H229-Y419 AromaticContact NE2-CD2 3.81Å; L232-Y419 HydrophobicContact CB-CD2 4.34Å; L232-Y419 HydrophobicContact CB-CE2 3.41Å; L232-Y419 VanDerWaalsContact CB-CE2 3.41Å; L232-Y419 HydrophobicContact CD2-CD2 4.26Å; L232-Y419 HydrophobicContact CD2-CE2 3.82Å; L232-Y419 HydrophobicContact CG-CE2 4.23Å; I417-Y419 VanDerWaalsContact C-N 3.34Å; I417-Y419 WeakPolarHBondContact CG2-O 3.36Å; I417-Y419 PolarHBondContact O-N 3.48Å
420L93.7Very high96.5Very high89 Ų8923.6 Ų23.647%0.46613%0.125SC..  trans-61.9130.9-177.3-166.469.5000110.7L20 F455L20-L420 HydrophobicContact CB-CD2 4.05Å; L20-L420 HydrophobicContact CB-CG 4.48Å; L20-L420 HydrophobicContact CD2-CD1 3.57Å; L20-L420 HydrophobicContact CD2-CD2 4.22Å; L20-L420 HydrophobicContact CD2-CG 3.79Å; L420-F455 HydrophobicContact CD1-CB 3.92Å; L420-F455 HydrophobicContact CD1-CD1 3.68Å; L420-F455 HydrophobicContact CD1-CG 4.1Å
421P96Very high96.3Very high2 Ų224 Ų241%0.01313%0.126CC..  trans-55.7150.3167.1-23.433.9000110.9L20 L232 L234 I424 F455L20-P421 WeakPolarHBondContact CD1-O 3.25Å; L232-P421 HydrophobicContact CD2-CB 4.39Å; L232-P421 HydrophobicContact CD2-CG 4.17Å; L232-P421 HydrophobicContact CG-CB 4.4Å; L234-P421 HydrophobicContact CB-CB 4.13Å; L234-P421 HydrophobicContact CB-CG 4.12Å; L234-P421 HydrophobicContact CD2-CG 4.27Å; P421-I424 HydrophobicContact CB-CG1 4.12Å; P421-I424 HydrophobicContact CG-CG1 4.41Å; P421-F455 HydrophobicContact CG-CE1 4.09Å; P421-F455 HydrophobicContact CG-CE2 4.46Å; P421-F455 HydrophobicContact CG-CZ 3.92Å
422N94.5Very high95.8Very high46 Ų4622.3 Ų22.325%0.24612%0.115CC..SBendtrans-83.2-27174.2-63.8107.7000111.8A38 F42 P231 L232A38-N422 HydrophobicContact CB-CB 4.27Å; F42-N422 HydrophobicContact CE2-CB 4.3Å; F42-N422 VanDerWaalsContact CE2-CG 3.45Å; F42-N422 WeakPolarHBondContact CE2-ND2 3.41Å; F42-N422 WeakPolarHBondContact CZ-ND2 3.33Å; P231-N422 WeakPolarHBondContact CA-OD1 3.45Å; L232-N422 PolarHBondContact N-OD1 2.78Å; L232-N422 PolarHBondContact O-N 2.68Å
423I96.9Very high95.3Very high11 Ų1118 Ų186%0.05610%0.095CC..EExtended strand (participates in β ladder)trans-150.4149173.5-160.1150.2000109.9Y23 Y34 A38 I233 L234Y23-I423 HydrophobicContact CD2-CD1 3.86Å; Y23-I423 HydrophobicContact CD2-CG1 3.95Å; Y23-I423 HydrophobicContact CE2-CD1 3.68Å; Y23-I423 HydrophobicContact CE2-CG1 4.08Å; Y34-I423 WeakPolarHBondContact O-CD1 3.42Å; A38-I423 HydrophobicContact CB-CB 4Å; A38-I423 HydrophobicContact CB-CG2 3.71Å; I233-I423 HydrophobicContact CB-CG2 4.23Å; I233-I423 HydrophobicContact CG1-CG2 3.94Å; I233-I423 HydrophobicContact CG2-CG2 3.95Å; L234-I423 PolarHBondContact N-O 2.94Å; L234-I423 VanDerWaalsContact N-O 3.1Å
424I98.4Very high95Very high0 Ų018.5 Ų18.50%010%0.097CC..EExtended strand (participates in β ladder)trans-121.4130.7170.1-58.1-179.7000107.5L20 H21 V22 Y23 L234 I236 P421 I426 I451 F455 L457L20-I424 HydrophobicContact CD1-CD1 4.33Å; L20-I424 HydrophobicContact CD1-CG1 3.91Å; L20-I424 HydrophobicContact CD2-CD1 3.85Å; L20-I424 HydrophobicContact CD2-CG1 4.31Å; L20-I424 HydrophobicContact CG-CD1 4.42Å; H21-I424 PolarHBondContact O-N 2.89Å; H21-I424 VanDerWaalsContact O-N 3.16Å; V22-I424 CarbonylContact C-O 3.55Å; V22-I424 VanDerWaalsContact CA-O 3.31Å; V22-I424 WeakPolarHBondContact CA-O 3.47Å; V22-I424 HydrophobicContact CB-CB 4.42Å; V22-I424 HydrophobicContact CG1-CB 4.36Å; V22-I424 HydrophobicContact CG1-CG2 4Å; V22-I424 HydrophobicContact CG2-CB 4.04Å; V22-I424 HydrophobicContact CG2-CD1 4.26Å; V22-I424 HydrophobicContact CG2-CG2 4.27Å; Y23-I424 PolarHBondContact N-O 3.29Å; L234-I424 HydrophobicContact CB-CG1 4.2Å; L234-I424 HydrophobicContact CD2-CD1 4.05Å; L234-I424 HydrophobicContact CD2-CG1 4.07Å; L234-I424 HydrophobicContact CD2-CG2 4.31Å; L234-I424 HydrophobicContact CG-CG2 4.43Å; L234-I424 CarbonylContact O-C 3.54Å; L234-I424 VanDerWaalsContact O-CA 3.24Å; L234-I424 WeakPolarHBondContact O-CA 3.39Å; I236-I424 HydrophobicContact CD1-CG2 4.01Å; P421-I424 HydrophobicContact CB-CG1 4.12Å; P421-I424 HydrophobicContact CG-CG1 4.41Å; I424-I426 HydrophobicContact CG2-CG1 4.48Å; I424-I451 HydrophobicContact CD1-CG2 3.73Å; I424-I451 HydrophobicContact CG2-CD1 4.11Å; I424-F455 HydrophobicContact CD1-CD2 3.66Å; I424-F455 HydrophobicContact CD1-CE2 3.77Å; I424-L457 HydrophobicContact CD1-CD1 4.48Å
425T98.5Very high94.8Very high0 Ų018.4 Ų18.40%010%0.097CC..EExtended strand (participates in β ladder)trans-118.8144.2171.742.50000109.4Y23 V31 Y34 W35 L234 D235 I236Y23-T425 CarbonylContact O-C 3.59Å; Y23-T425 WeakPolarHBondContact O-CA 3.3Å; V31-T425 HydrophobicContact CB-CG2 3.93Å; V31-T425 HydrophobicContact CG1-CG2 3.89Å; Y34-T425 HydrophobicContact CD2-CG2 4.26Å; W35-T425 PolarHBondContact NE1-OG1 3.17Å; W35-T425 VanDerWaalsContact NE1-OG1 3.14Å; L234-T425 PolarHBondContact O-N 2.92Å; D235-T425 VanDerWaalsContact OD1-CB 3.31Å; D235-T425 WeakPolarHBondContact OD1-CB 3.15Å; D235-T425 PolarHBondContact OD1-OG1 3.39Å; I236-T425 PolarHBondContact N-O 3.21Å
426I98.5Very high94.6Very high0 Ų012.9 Ų12.90%07%0.068CC..EExtended strand (participates in β ladder)trans-130.5119.5176.6-56.5173.4000107.7V22 Y23 I24 V25 I236 E238 I424 I447 L448 I451V22-I426 HydrophobicContact CG1-CD1 3.52Å; V22-I426 HydrophobicContact CG1-CG1 3.96Å; Y23-I426 PolarHBondContact O-N 2.88Å; I24-I426 CarbonylContact C-O 3.56Å; I24-I426 WeakPolarHBondContact CA-O 3.25Å; I24-I426 HydrophobicContact CG1-CB 4.32Å; I24-I426 HydrophobicContact CG1-CD1 4.38Å; V25-I426 WeakPolarHBondContact CG2-O 3.32Å; V25-I426 PolarHBondContact N-O 3.38Å; I236-I426 HydrophobicContact CB-CG1 4.41Å; I236-I426 HydrophobicContact CD1-CG1 4.35Å; I236-I426 CarbonylContact O-C 3.57Å; I236-I426 WeakPolarHBondContact O-CA 3.44Å; E238-I426 HydrophobicContact CG-CG2 4.11Å; I424-I426 HydrophobicContact CG2-CG1 4.48Å; I426-I447 HydrophobicContact CD1-CG2 3.75Å; I426-I447 HydrophobicContact CG1-CG2 4.43Å; I426-L448 HydrophobicContact CD1-CD2 3.7Å; I426-L448 HydrophobicContact CD1-CG 4.49Å; I426-I451 HydrophobicContact CD1-CD1 4.06Å
427S98Very high94.5Very high0 Ų013.2 Ų13.20%07%0.068CC..EExtended strand (participates in β ladder)trans-96.8131.6174.9-59.50000109.7V25 I236 E238V25-S427 WeakPolarHBondContact CG2-OG 2.99Å; I236-S427 PolarHBondContact O-N 2.97Å; E238-S427 WeakPolarHBondContact CG-O 3.48Å; E238-S427 PolarHBondContact N-O 3.47Å; E238-S427 VanDerWaalsContact N-O 3.08Å
428R96.8Very high94.4Very high1 Ų116.9 Ų16.90%0.0048%0.081CC..  trans-80.4-32.5178.8-76.8-178.7169.1-168.2-6.1113.3I24 V25 E26 S430 T435 Q440 E444 D471 K472I24-R428 HydrophobicContact CG2-CG 4.23Å; V25-R428 PolarHBondContact O-N 3.5Å; E26-R428 PolarHBondContact O-N 3.1Å; R428-S430 PolarHBondContact O-N 3.5Å; R428-S430 PolarHBondContact O-OG 2.9Å; R428-T435 WeakPolarHBondContact O-CB 3.44Å; R428-T435 PolarHBondContact O-OG1 2.9Å; R428-Q440 VanDerWaalsContact CD-NE2 3.27Å; R428-Q440 VanDerWaalsContact CZ-NE2 3.28Å; R428-Q440 VanDerWaalsContact NE-NE2 3.17Å; R428-E444 IonicContact CZ-OE2 3.88Å; R428-E444 IonicContact NE-OE2 3.97Å; R428-E444 PolarHBondContact NE-OE2 3.35Å; R428-E444 IonicContact NH2-OE1 3.68Å; R428-E444 PolarHBondContact NH2-OE1 3.27Å; R428-E444 IonicContact NH2-OE2 3.6Å; R428-E444 PolarHBondContact NH2-OE2 3.47Å; R428-D471 PolarHBondContact NH1-O 2.91Å; R428-D471 PolarHBondContact NH2-O 3.13Å; R428-K472 PolarHBondContact NH2-O 2.98Å
429S94.3Very high94.5Very high0 Ų015.9 Ų15.90%07%0.073CC..  trans51.130.3179.2-51.20000113.4E26 H28 D237 G433 Y434 T435E26-S429 PolarHBondContact O-N 3.36Å; H28-S429 PolarHBondContact CD2-OG 3.16Å; H28-S429 PolarHBondContact NE2-OG 3.36Å; D237-S429 VanDerWaalsContact CG-OG 3.24Å; D237-S429 WeakPolarHBondContact OD1-CB 3.49Å; D237-S429 PolarHBondContact OD1-OG 2.83Å; D237-S429 PolarHBondContact OD2-OG 3.35Å; S429-G433 PolarHBondContact O-N 3.27Å; S429-Y434 PolarHBondContact O-N 3.41Å; S429-Y434 VanDerWaalsContact O-N 3.09Å; S429-T435 PolarHBondContact O-N 3.22Å
430S92.9Very high94.6Very high0 Ų014.5 Ų14.50%07%0.068CC..THydrogen-bonded Turntrans-86.3-36.4-174.6-70.50000111.2E26 R428 G433 R437 Q440E26-S430 WeakPolarHBondContact OE1-CA 3.43Å; E26-S430 VanDerWaalsContact OE1-CB 3.31Å; E26-S430 WeakPolarHBondContact OE1-CB 3.04Å; E26-S430 PolarHBondContact OE1-N 3.08Å; E26-S430 VanDerWaalsContact OE1-N 3.13Å; R428-S430 PolarHBondContact O-N 3.5Å; R428-S430 PolarHBondContact O-OG 2.9Å; S430-G433 PolarHBondContact O-N 3.04Å; S430-R437 PolarHBondContact O-NE 3.02Å; S430-R437 PolarHBondContact O-NH2 3.26Å; S430-Q440 PolarHBondContact OG-OE1 3.01Å
431R92.9Very high94.7Very high9 Ų915.2 Ų15.23%0.0347%0.065CC..THydrogen-bonded Turntrans-63-46.6169.7-168.5-175.8-73.2131.36.7111.5E26 E27 E280 C365 Y366 G384 G433 H467 A469E26-R431 HydrophobicContact CG-CB 4.02Å; E26-R431 PolarHBondContact OE1-N 2.84Å; E27-R431 WeakPolarHBondContact OE1-CD 3.18Å; E27-R431 IonicContact OE1-CZ 3.88Å; E27-R431 IonicContact OE1-NE 3.09Å; E27-R431 IonicContact OE1-NH1 3.73Å; E27-R431 PolarHBondContact OE1-NH1 3.39Å; E280-R431 IonicContact OE1-CZ 2.63Å; E280-R431 IonicContact OE1-NE 3.92Å; E280-R431 IonicContact OE1-NH2 2.71Å; E280-R431 PolarHBondContact OE1-NH2 3.42Å; E280-R431 IonicContact OE2-NE 3.18Å; E280-R431 IonicContact OE2-NH2 3.7Å; C365-R431 HydrophobicContact CB-CG 4.48Å; Y366-R431 WeakPolarHBondContact O-CD 3.2Å; Y366-R431 WeakPolarHBondContact O-CG 3.37Å; G384-R431 WeakPolarHBondContact CA-O 3.25Å; R431-G433 PolarHBondContact O-N 2.92Å; R431-G433 VanDerWaalsContact O-N 3.1Å; R431-H467 PolarHBondContact NH2-O 2.97Å; R431-A469 HydrophobicContact CB-CB 4.32Å
432D88.6Confident94.6Very high3 Ų320.6 Ų20.62%0.0169%0.089CC..THydrogen-bonded Turntrans-66.4-11.2178.8-68.7-12.2000114.4N86 G384 H385 Y434N86-D432 PolarHBondContact ND2-OD1 2.81Å; N86-D432 VanDerWaalsContact ND2-OD1 3.16Å; N86-D432 PolarHBondContact ND2-OD2 3.2Å; G384-D432 CarbonylContact C-O 3.26Å; G384-D432 WeakPolarHBondContact CA-O 3.49Å; H385-D432 IonicContact CD2-OD1 3.75Å; H385-D432 PolarHBondContact N-O 2.79Å; H385-D432 IonicContact NE2-OD1 3.19Å; D432-Y434 HydrophobicContact CB-CD2 3.63Å; D432-Y434 HydrophobicContact CB-CE2 4Å
433G88.6Confident94.8Very high0 Ų018.4 Ų18.40%08%0.078CC..THydrogen-bonded Turntrans70.838.8177.200000112.3N386 S429 S430 R431N386-G433 PolarHBondContact ND2-O 3.41Å; N386-G433 VanDerWaalsContact ND2-O 3.07Å; S429-G433 PolarHBondContact O-N 3.27Å; S430-G433 PolarHBondContact O-N 3.04Å; R431-G433 PolarHBondContact O-N 2.92Å; R431-G433 VanDerWaalsContact O-N 3.1Å
434Y91.8Very high94.8Very high11 Ų1118.1 Ų18.14%0.0438%0.076CC..  trans-98.2-62.5166.8-72.5-88.9000109.8H55 V243 H244 N386 I393 S429 D432 P436H55-Y434 AromaticContact CD2-CD1 3.98Å; H55-Y434 AromaticContact CD2-CE1 3.45Å; H55-Y434 VanDerWaalsContact CD2-CE1 3.45Å; H55-Y434 WeakPolarHBondContact CD2-CE1 3.18Å; H55-Y434 AromaticContact CD2-CZ 3.99Å; H55-Y434 AromaticContact NE2-CD1 3.51Å; H55-Y434 AromaticContact NE2-CE1 3.03Å; H55-Y434 WeakPolarHBondContact NE2-CE1 3.46Å; H55-Y434 AromaticContact NE2-CE2 3.84Å; H55-Y434 AromaticContact NE2-CZ 3.21Å; V243-Y434 CarbonylContact C-O 3.57Å; V243-Y434 VanDerWaalsContact CA-O 3.24Å; V243-Y434 WeakPolarHBondContact CA-O 3.46Å; V243-Y434 HydrophobicContact CG1-CD1 4.04Å; V243-Y434 HydrophobicContact CG2-CD1 4.13Å; H244-Y434 PolarHBondContact N-O 3.46Å; N386-Y434 WeakPolarHBondContact ND2-CD1 3.31Å; N386-Y434 WeakPolarHBondContact ND2-CE1 3.33Å; N386-Y434 VanDerWaalsContact ND2-CG 3.28Å; N386-Y434 WeakPolarHBondContact OD1-CE1 3.47Å; N386-Y434 PolarHBondContact OD1-OH 2.88Å; I393-Y434 HydrophobicContact CG2-CD1 3.99Å; I393-Y434 HydrophobicContact CG2-CE1 3.64Å; S429-Y434 PolarHBondContact O-N 3.41Å; S429-Y434 VanDerWaalsContact O-N 3.09Å; D432-Y434 HydrophobicContact CB-CD2 3.63Å; D432-Y434 HydrophobicContact CB-CE2 4Å; Y434-P436 WeakPolarHBondContact O-CD 3.36Å
435T93.8Very high94.7Very high0 Ų020.2 Ų20.20%09%0.089CC..SBendtrans-64.6128.7-173.8-61.20000112.8E238 R428 S429 R437 Q440 I443E238-T435 HydrophobicContact CB-CG2 4.05Å; R428-T435 WeakPolarHBondContact O-CB 3.44Å; R428-T435 PolarHBondContact O-OG1 2.9Å; S429-T435 PolarHBondContact O-N 3.22Å; T435-R437 PolarHBondContact O-N 3.26Å; T435-Q440 HydrophobicContact CG2-CB 3.96Å; T435-Q440 HydrophobicContact CG2-CG 3.97Å; T435-I443 HydrophobicContact CG2-CD1 4.32Å
436P95Very high94.7Very high0 Ų022 Ų220%010%0.098CC..  trans-58.7102.4173.7-21.628.9000110.5G242 H244 L397 Y434 W438 L439 Q440G242-P436 WeakPolarHBondContact O-CD 3.17Å; H244-P436 HydrophobicContact CB-CB 3.91Å; H244-P436 HydrophobicContact CB-CG 3.93Å; L397-P436 HydrophobicContact CD2-CG 4.42Å; Y434-P436 WeakPolarHBondContact O-CD 3.36Å; P436-W438 HydrophobicContact CB-CD2 4.49Å; P436-W438 HydrophobicContact CB-CE3 4.49Å; P436-W438 HydrophobicContact CB-CH2 4.08Å; P436-W438 HydrophobicContact CB-CZ2 4.06Å; P436-W438 HydrophobicContact CB-CZ3 4.31Å; P436-W438 PolarHBondContact O-N 3.4Å; P436-L439 HydrophobicContact CB-CB 4.3Å; P436-L439 HydrophobicContact CB-CD1 4.26Å; P436-L439 HydrophobicContact CB-CG 4.41Å; P436-L439 CarbonylContact O-C 3.54Å; P436-L439 WeakPolarHBondContact O-CA 3.35Å; P436-L439 PolarHBondContact O-N 3.21Å; P436-Q440 PolarHBondContact O-N 2.98Å
437R93.6Very high94.7Very high13 Ų1322 Ų225%0.04910%0.098CC..Hα-helixtrans-57.3-33.8-166.6-61.9177.9173.9162.24.2113.8C382 S430 T435 L439 Q440 Y477C382-R437 PolarHBondContact O-NH1 3.37Å; C382-R437 PolarHBondContact O-NH2 3.43Å; C382-R437 PolarHBondContact SG-NH2 2.86Å; S430-R437 PolarHBondContact O-NE 3.02Å; S430-R437 PolarHBondContact O-NH2 3.26Å; T435-R437 PolarHBondContact O-N 3.26Å; R437-L439 PolarHBondContact O-N 2.97Å; R437-Q440 WeakPolarHBondContact O-CB 3.34Å; R437-Q440 PolarHBondContact O-N 3.34Å; R437-Y477 HydrophobicContact CB-CD2 4.33Å; R437-Y477 WeakPolarHBondContact O-CB 3.49Å
438W93.9Very high94.7Very high94 Ų9422.6 Ų22.636%0.35610%0.101SC..Hα-helixtrans-73.1-15.3176.97089.6000113.9H244 L397 P436 Y477H244-W438 HydrophobicContact CB-CH2 4.29Å; H244-W438 HydrophobicContact CB-CZ3 4.33Å; H244-W438 AromaticContact CD2-CH2 3.99Å; H244-W438 AromaticContact CD2-CZ3 3.94Å; H244-W438 AromaticContact CE1-CZ3 3.61Å; H244-W438 AromaticContact CG-CH2 3.85Å; H244-W438 AromaticContact CG-CZ3 3.62Å; H244-W438 AromaticContact ND1-CZ3 3.39Å; H244-W438 WeakPolarHBondContact ND1-CZ3 3.44Å; H244-W438 AromaticContact NE2-CZ3 3.94Å; L397-W438 HydrophobicContact CD1-CH2 4.05Å; L397-W438 HydrophobicContact CD1-CZ2 4.3Å; L397-W438 HydrophobicContact CD2-CH2 3.62Å; L397-W438 HydrophobicContact CD2-CZ2 4Å; L397-W438 HydrophobicContact CG-CH2 4.4Å; P436-W438 HydrophobicContact CB-CD2 4.49Å; P436-W438 HydrophobicContact CB-CE3 4.49Å; P436-W438 HydrophobicContact CB-CH2 4.08Å; P436-W438 HydrophobicContact CB-CZ2 4.06Å; P436-W438 HydrophobicContact CB-CZ3 4.31Å; P436-W438 PolarHBondContact O-N 3.4Å; W438-Y477 HydrophobicContact CB-CD1 4.01Å; W438-Y477 HydrophobicContact CB-CD2 3.71Å; W438-Y477 HydrophobicContact CB-CE1 3.88Å; W438-Y477 HydrophobicContact CB-CE2 3.51Å; W438-Y477 HydrophobicContact CB-CG 3.97Å
439L95.3Very high94.8Very high26 Ų2626.6 Ų26.614%0.13612%0.122CC..Hα-helixtrans-104.4-16.9174.6-61.5179.2000113.1P398 L403 P436 R437 Y441 H442 I443P398-L439 HydrophobicContact CG-CD1 3.72Å; L403-L439 HydrophobicContact CD1-CD1 4.46Å; P436-L439 HydrophobicContact CB-CB 4.3Å; P436-L439 HydrophobicContact CB-CD1 4.26Å; P436-L439 HydrophobicContact CB-CG 4.41Å; P436-L439 CarbonylContact O-C 3.54Å; P436-L439 WeakPolarHBondContact O-CA 3.35Å; P436-L439 PolarHBondContact O-N 3.21Å; R437-L439 PolarHBondContact O-N 2.97Å; L439-Y441 VanDerWaalsContact C-N 3.31Å; L439-Y441 PolarHBondContact O-N 3.45Å; L439-H442 CarbonylContact O-C 3.58Å; L439-H442 WeakPolarHBondContact O-CA 3.35Å; L439-H442 WeakPolarHBondContact O-CB 3.43Å; L439-H442 PolarHBondContact O-N 3.37Å; L439-I443 HydrophobicContact CB-CD1 3.79Å; L439-I443 HydrophobicContact CB-CG1 4.21Å; L439-I443 PolarHBondContact O-N 2.87Å
440Q95.4Very high95Very high0 Ų027.7 Ų27.70%013%0.128CC..Hα-helixtrans-43-54.3-176.7-171.2-143.4-39.200112.3E238 R428 S430 T435 P436 R437 H442 I443 E444 G475E238-Q440 WeakPolarHBondContact OE2-CG 3.42Å; R428-Q440 VanDerWaalsContact CD-NE2 3.27Å; R428-Q440 VanDerWaalsContact CZ-NE2 3.28Å; R428-Q440 VanDerWaalsContact NE-NE2 3.17Å; S430-Q440 PolarHBondContact OG-OE1 3.01Å; T435-Q440 HydrophobicContact CG2-CB 3.96Å; T435-Q440 HydrophobicContact CG2-CG 3.97Å; P436-Q440 PolarHBondContact O-N 2.98Å; R437-Q440 WeakPolarHBondContact O-CB 3.34Å; R437-Q440 PolarHBondContact O-N 3.34Å; Q440-H442 VanDerWaalsContact C-N 3.3Å; Q440-H442 PolarHBondContact O-N 2.87Å; Q440-I443 PolarHBondContact O-N 3.43Å; Q440-I443 VanDerWaalsContact O-N 3.11Å; Q440-E444 WeakPolarHBondContact O-CB 3.39Å; Q440-E444 PolarHBondContact O-N 3.34Å; Q440-G475 VanDerWaalsContact OE1-CA 3.27Å
441Y94.4Very high95.3Very high103 Ų10327.7 Ų27.740%0.40413%0.128SC..Hα-helixtrans-54.7-42.9177.6174.3-105.9000113.8L439 T445 Y473L439-Y441 VanDerWaalsContact C-N 3.31Å; L439-Y441 PolarHBondContact O-N 3.45Å; Y441-T445 WeakPolarHBondContact O-CB 3.26Å; Y441-T445 PolarHBondContact O-N 3.12Å; Y441-T445 PolarHBondContact O-OG1 3.25Å; Y441-Y473 WeakPolarHBondContact CD2-O 3.33Å; Y441-Y473 WeakPolarHBondContact CE2-O 3.24Å
442H95Very high95.6Very high115 Ų11528.7 Ų28.753%0.53213%0.132SC..Hα-helixtrans-70.7-38.8179.5-64.6102.9000111.6L439 Q440 M446L439-H442 CarbonylContact O-C 3.58Å; L439-H442 WeakPolarHBondContact O-CA 3.35Å; L439-H442 WeakPolarHBondContact O-CB 3.43Å; L439-H442 PolarHBondContact O-N 3.37Å; Q440-H442 VanDerWaalsContact C-N 3.3Å; Q440-H442 PolarHBondContact O-N 2.87Å; H442-M446 WeakPolarHBondContact O-CB 3.28Å; H442-M446 PolarHBondContact O-N 3.33Å
443I97.5Very high96Very high0 Ų034.1 Ų34.10%017%0.166CC..Hα-helixtrans-64.4-54176.5-68.4167.5000109.6E238 F241 L403 T435 L439 Q440 T445 M446 I447E238-I443 HydrophobicContact CB-CG2 3.93Å; E238-I443 HydrophobicContact CG-CG2 4.05Å; F241-I443 HydrophobicContact CB-CD1 3.97Å; F241-I443 HydrophobicContact CB-CG1 4.04Å; F241-I443 HydrophobicContact CB-CG2 3.9Å; F241-I443 HydrophobicContact CD2-CG2 3.68Å; F241-I443 HydrophobicContact CE2-CG2 4.49Å; F241-I443 HydrophobicContact CG-CG2 3.91Å; L403-I443 HydrophobicContact CD2-CG1 4.16Å; T435-I443 HydrophobicContact CG2-CD1 4.32Å; L439-I443 HydrophobicContact CB-CD1 3.79Å; L439-I443 HydrophobicContact CB-CG1 4.21Å; L439-I443 PolarHBondContact O-N 2.87Å; Q440-I443 PolarHBondContact O-N 3.43Å; Q440-I443 VanDerWaalsContact O-N 3.11Å; I443-T445 PolarHBondContact O-N 2.84Å; I443-M446 WeakPolarHBondContact O-CB 3.07Å; I443-M446 PolarHBondContact O-N 3.01Å; I443-M446 VanDerWaalsContact O-N 3.11Å; I443-I447 HydrophobicContact CG2-CD1 3.7Å; I443-I447 HydrophobicContact CG2-CG1 4.43Å; I443-I447 WeakPolarHBondContact O-CG1 3.44Å; I443-I447 PolarHBondContact O-N 3.37Å
444E97.8Very high96.5Very high6 Ų635.9 Ų35.93%0.02818%0.177CC..Hα-helixtrans-55.5-49.6177.7-167.9-176.382.100111E238 R428 Q440 M446 I447 L448E238-E444 WeakPolarHBondContact OE1-CB 3.37Å; E238-E444 WeakPolarHBondContact OE1-CG 3Å; R428-E444 IonicContact CZ-OE2 3.88Å; R428-E444 IonicContact NE-OE2 3.97Å; R428-E444 PolarHBondContact NE-OE2 3.35Å; R428-E444 IonicContact NH2-OE1 3.68Å; R428-E444 PolarHBondContact NH2-OE1 3.27Å; R428-E444 IonicContact NH2-OE2 3.6Å; R428-E444 PolarHBondContact NH2-OE2 3.47Å; Q440-E444 WeakPolarHBondContact O-CB 3.39Å; Q440-E444 PolarHBondContact O-N 3.34Å; E444-M446 VanDerWaalsContact C-N 3.29Å; E444-M446 PolarHBondContact O-N 2.89Å; E444-I447 PolarHBondContact O-N 3.38Å; E444-L448 HydrophobicContact CG-CD1 4.01Å; E444-L448 HydrophobicContact CG-CG 4.39Å; E444-L448 WeakPolarHBondContact O-CB 3.48Å; E444-L448 VanDerWaalsContact O-CG 3.26Å; E444-L448 WeakPolarHBondContact O-CG 3.42Å; E444-L448 PolarHBondContact O-N 3.34Å
445T97Very high96.7Very high43 Ų4336.6 Ų36.626%0.26418%0.18SC..Hα-helixtrans-59.6-41178.8-64.20000111.7Y441 I443 N449Y441-T445 WeakPolarHBondContact O-CB 3.26Å; Y441-T445 PolarHBondContact O-N 3.12Å; Y441-T445 PolarHBondContact O-OG1 3.25Å; I443-T445 PolarHBondContact O-N 2.84Å; T445-N449 VanDerWaalsContact O-CB 3.32Å; T445-N449 WeakPolarHBondContact O-CB 3.34Å; T445-N449 PolarHBondContact O-N 3.07Å; T445-N449 PolarHBondContact O-ND2 2.88Å; T445-N449 VanDerWaalsContact O-ND2 3.12Å
446M98.1Very high96.9Very high39 Ų3943.6 Ų43.619%0.19222%0.218CC..Hα-helixtrans-65.7-47.7177.9-179.4175.365.400111.5F241 L403 A407 H442 I443 E444 N449 I450F241-M446 HydrophobicContact CD1-CE 3.35Å; F241-M446 HydrophobicContact CE1-CE 3.32Å; F241-M446 HydrophobicContact CG-CE 4.1Å; F241-M446 HydrophobicContact CZ-CE 4.06Å; L403-M446 HydrophobicContact CD2-CE 4.44Å; A407-M446 HydrophobicContact CB-CE 4.22Å; A407-M446 HydrophobicContact CB-CG 4.19Å; A407-M446 HydrophobicContact CB-SD 3.51Å; A407-M446 VanDerWaalsContact CB-SD 3.51Å; H442-M446 WeakPolarHBondContact O-CB 3.28Å; H442-M446 PolarHBondContact O-N 3.33Å; I443-M446 WeakPolarHBondContact O-CB 3.07Å; I443-M446 PolarHBondContact O-N 3.01Å; I443-M446 VanDerWaalsContact O-N 3.11Å; E444-M446 VanDerWaalsContact C-N 3.29Å; E444-M446 PolarHBondContact O-N 2.89Å; M446-N449 PolarHBondContact O-N 3.36Å; M446-I450 HydrophobicContact CG-CD1 3.99Å; M446-I450 WeakPolarHBondContact O-CD1 3.44Å; M446-I450 VanDerWaalsContact O-CG1 3.26Å; M446-I450 WeakPolarHBondContact O-CG1 3.36Å; M446-I450 PolarHBondContact O-N 3.1Å
447I98.6Very high97Very high0 Ų044.7 Ų44.70%022%0.223CC..Hα-helixtrans-57.1-52175.9-68.5166.8000110I236 E238 F241 F410 I426 I443 E444 N449 I450 I451I236-I447 HydrophobicContact CD1-CG2 4.45Å; I236-I447 HydrophobicContact CG2-CD1 4.31Å; I236-I447 HydrophobicContact CG2-CG2 4.42Å; E238-I447 HydrophobicContact CG-CD1 3.87Å; F241-I447 HydrophobicContact CD2-CD1 3.88Å; F241-I447 HydrophobicContact CD2-CG1 4.19Å; F241-I447 HydrophobicContact CE2-CD1 3.52Å; F241-I447 HydrophobicContact CE2-CG1 3.45Å; F241-I447 VanDerWaalsContact CE2-CG1 3.45Å; F241-I447 HydrophobicContact CZ-CD1 4.46Å; F241-I447 HydrophobicContact CZ-CG1 3.91Å; F410-I447 HydrophobicContact CE1-CG2 4.28Å; F410-I447 HydrophobicContact CZ-CG2 4.05Å; I426-I447 HydrophobicContact CD1-CG2 3.75Å; I426-I447 HydrophobicContact CG1-CG2 4.43Å; I443-I447 HydrophobicContact CG2-CD1 3.7Å; I443-I447 HydrophobicContact CG2-CG1 4.43Å; I443-I447 WeakPolarHBondContact O-CG1 3.44Å; I443-I447 PolarHBondContact O-N 3.37Å; E444-I447 PolarHBondContact O-N 3.38Å; I447-N449 VanDerWaalsContact C-N 3.35Å; I447-N449 PolarHBondContact O-N 2.01Å; I447-I450 PolarHBondContact O-N 3.12Å; I447-I451 HydrophobicContact CG2-CD1 3.52Å; I447-I451 HydrophobicContact CG2-CG1 4.33Å; I447-I451 WeakPolarHBondContact O-CB 3.3Å; I447-I451 WeakPolarHBondContact O-CG1 3.39Å; I447-I451 PolarHBondContact O-N 3.13Å
448L98.5Very high97.1Very high12 Ų1248.1 Ų48.16%0.06325%0.246CC..Hα-helixtrans-60.7-41.8-178.8-70.2177.4000112.3V22 I24 I426 E444 I451 K452 I462 F464V22-L448 HydrophobicContact CG1-CD2 4.22Å; I24-L448 HydrophobicContact CD1-CD1 4.08Å; I24-L448 HydrophobicContact CD1-CD2 4.15Å; I426-L448 HydrophobicContact CD1-CD2 3.7Å; I426-L448 HydrophobicContact CD1-CG 4.49Å; E444-L448 HydrophobicContact CG-CD1 4.01Å; E444-L448 HydrophobicContact CG-CG 4.39Å; E444-L448 WeakPolarHBondContact O-CB 3.48Å; E444-L448 VanDerWaalsContact O-CG 3.26Å; E444-L448 WeakPolarHBondContact O-CG 3.42Å; E444-L448 PolarHBondContact O-N 3.34Å; L448-I451 PolarHBondContact O-N 3.2Å; L448-K452 VanDerWaalsContact O-CB 3.25Å; L448-K452 WeakPolarHBondContact O-CB 3.45Å; L448-K452 WeakPolarHBondContact O-CD 3.35Å; L448-K452 WeakPolarHBondContact O-CG 3.31Å; L448-K452 PolarHBondContact O-N 2.84Å; L448-I462 HydrophobicContact CD1-CG2 4.4Å; L448-I462 HydrophobicContact CD2-CD1 3.95Å; L448-I462 HydrophobicContact CD2-CG1 4.42Å; L448-I462 HydrophobicContact CD2-CG2 4.02Å; L448-F464 HydrophobicContact CD1-CZ 4.49Å
449N98.5Very high97.2Very high85 Ų8549.7 Ų49.746%0.45526%0.257SS..Hα-helixtrans-64-41.3177.4-76.1-25.5000112.1T445 M446 I447 T453T445-N449 VanDerWaalsContact O-CB 3.32Å; T445-N449 WeakPolarHBondContact O-CB 3.34Å; T445-N449 PolarHBondContact O-N 3.07Å; T445-N449 PolarHBondContact O-ND2 2.88Å; T445-N449 VanDerWaalsContact O-ND2 3.12Å; M446-N449 PolarHBondContact O-N 3.36Å; I447-N449 VanDerWaalsContact C-N 3.35Å; I447-N449 PolarHBondContact O-N 2.01Å; N449-T453 WeakPolarHBondContact O-CB 3.37Å; N449-T453 PolarHBondContact O-N 3.1Å; N449-T453 VanDerWaalsContact O-N 3.09Å; N449-T453 PolarHBondContact O-OG1 3.09Å
450I98.8Very high97.2Very high23 Ų2355.4 Ų55.412%0.11829%0.288CS..Hα-helixtrans-65.4-49.9177.2-66165.6000109.9A407 F410 T411 L414 M446 I447 K452 T453 V454A407-I450 HydrophobicContact CB-CD1 4.04Å; F410-I450 HydrophobicContact CD1-CB 4.31Å; F410-I450 HydrophobicContact CD1-CD1 3.86Å; F410-I450 HydrophobicContact CD1-CG2 3.91Å; F410-I450 HydrophobicContact CE1-CB 4.17Å; F410-I450 HydrophobicContact CE1-CD1 4.4Å; F410-I450 HydrophobicContact CE1-CG2 3.94Å; T411-I450 HydrophobicContact CG2-CG2 4.29Å; T411-I450 WeakPolarHBondContact OG1-CG2 3.05Å; L414-I450 HydrophobicContact CD1-CG2 4Å; M446-I450 HydrophobicContact CG-CD1 3.99Å; M446-I450 WeakPolarHBondContact O-CD1 3.44Å; M446-I450 VanDerWaalsContact O-CG1 3.26Å; M446-I450 WeakPolarHBondContact O-CG1 3.36Å; M446-I450 PolarHBondContact O-N 3.1Å; I447-I450 PolarHBondContact O-N 3.12Å; I450-K452 PolarHBondContact O-N 2.86Å; I450-T453 PolarHBondContact O-N 2.88Å; I450-T453 VanDerWaalsContact O-N 3.15Å; I450-V454 HydrophobicContact CG2-CG2 4.09Å; I450-V454 WeakPolarHBondContact O-CB 3.44Å; I450-V454 WeakPolarHBondContact O-CG2 3.46Å; I450-V454 PolarHBondContact O-N 2.83Å
451I98.6Very high97.3Very high0 Ų056 Ų560%029%0.292CS..Hα-helixtrans-61.3-45.5-179.5-71.9174.6000111.5V22 I236 F410 L414 I424 I426 I447 L448 T453 V454 F455 L457V22-I451 HydrophobicContact CG2-CG2 3.98Å; I236-I451 HydrophobicContact CD1-CD1 3.44Å; I236-I451 VanDerWaalsContact CD1-CD1 3.44Å; I236-I451 HydrophobicContact CD1-CG1 4.46Å; F410-I451 HydrophobicContact CE1-CG1 4.34Å; F410-I451 HydrophobicContact CZ-CD1 4.32Å; F410-I451 HydrophobicContact CZ-CG1 4.29Å; L414-I451 HydrophobicContact CD1-CG1 3.79Å; I424-I451 HydrophobicContact CD1-CG2 3.73Å; I424-I451 HydrophobicContact CG2-CD1 4.11Å; I426-I451 HydrophobicContact CD1-CD1 4.06Å; I447-I451 HydrophobicContact CG2-CD1 3.52Å; I447-I451 HydrophobicContact CG2-CG1 4.33Å; I447-I451 WeakPolarHBondContact O-CB 3.3Å; I447-I451 WeakPolarHBondContact O-CG1 3.39Å; I447-I451 PolarHBondContact O-N 3.13Å; L448-I451 PolarHBondContact O-N 3.2Å; I451-T453 VanDerWaalsContact C-N 3.25Å; I451-T453 PolarHBondContact O-N 3.21Å; I451-V454 PolarHBondContact O-N 3.17Å; I451-F455 HydrophobicContact CB-CD2 4.5Å; I451-F455 HydrophobicContact CG2-CD2 3.91Å; I451-F455 HydrophobicContact CG2-CE2 4.5Å; I451-F455 WeakPolarHBondContact O-CB 3.27Å; I451-F455 PolarHBondContact O-N 3.36Å; I451-L457 HydrophobicContact CG2-CD1 3.81Å
452K98.3Very high97.4Very high29 Ų2952 Ų5213%0.12628%0.277CS..Hα-helixtrans-57.7-41175.4-76.2168.7-178.81710111.6L448 I450 N456 L457 E459 I462L448-K452 VanDerWaalsContact O-CB 3.25Å; L448-K452 WeakPolarHBondContact O-CB 3.45Å; L448-K452 WeakPolarHBondContact O-CD 3.35Å; L448-K452 WeakPolarHBondContact O-CG 3.31Å; L448-K452 PolarHBondContact O-N 2.84Å; I450-K452 PolarHBondContact O-N 2.86Å; K452-N456 CarbonylContact O-C 3.53Å; K452-N456 WeakPolarHBondContact O-CA 3.43Å; K452-N456 PolarHBondContact O-N 3.31Å; K452-L457 HydrophobicContact CG-CB 4.19Å; K452-L457 PolarHBondContact O-N 3.01Å; K452-E459 IonicContact NZ-OE1 3.34Å; K452-E459 PolarHBondContact NZ-OE1 3.39Å; K452-E459 IonicContact NZ-OE2 3.61Å; K452-E459 PolarHBondContact NZ-OE2 2.84Å; K452-I462 VanDerWaalsContact CE-CG1 3.49Å
453T98.2Very high97.5Very high118 Ų11849.3 Ų49.372%0.72427%0.266SS*.Hα-helixtrans-70.7-49.7179.3-57.20000111.7N449 I450 I451N449-T453 WeakPolarHBondContact O-CB 3.37Å; N449-T453 PolarHBondContact O-N 3.1Å; N449-T453 VanDerWaalsContact O-N 3.09Å; N449-T453 PolarHBondContact O-OG1 3.09Å; I450-T453 PolarHBondContact O-N 2.88Å; I450-T453 VanDerWaalsContact O-N 3.15Å; I451-T453 VanDerWaalsContact C-N 3.25Å; I451-T453 PolarHBondContact O-N 3.21Å
454V98.2Very high97.4Very high37 Ų3752.1 Ų52.122%0.22428%0.279CS..Hα-helixtrans-66.9-40.5-175.3172.80000111.6T411 L414 L415 I450 I451T411-V454 HydrophobicContact CG2-CG2 4.46Å; L414-V454 HydrophobicContact CB-CG1 3.95Å; L414-V454 HydrophobicContact CB-CG2 4.37Å; L415-V454 HydrophobicContact CD2-CG1 4.19Å; L415-V454 HydrophobicContact CD2-CG2 4.22Å; L415-V454 HydrophobicContact CG-CG2 4.37Å; I450-V454 HydrophobicContact CG2-CG2 4.09Å; I450-V454 WeakPolarHBondContact O-CB 3.44Å; I450-V454 WeakPolarHBondContact O-CG2 3.46Å; I450-V454 PolarHBondContact O-N 2.83Å; I451-V454 PolarHBondContact O-N 3.17Å
455F96.9Very high97.2Very high26 Ų2652.8 Ų52.811%0.11428%0.283CS..Hα-helixtrans-105.38.7-176.5-57-59.2000114L20 L234 L414 I417 L420 P421 I424 I451 L457L20-F455 HydrophobicContact CD2-CB 4.17Å; L20-F455 HydrophobicContact CD2-CG 4.4Å; L234-F455 HydrophobicContact CD2-CE2 3.92Å; L234-F455 HydrophobicContact CD2-CZ 4.18Å; L414-F455 HydrophobicContact CB-CZ 4.29Å; L414-F455 HydrophobicContact CD1-CE2 4.15Å; L414-F455 HydrophobicContact CD2-CE2 4.4Å; L414-F455 HydrophobicContact CD2-CZ 4.39Å; I417-F455 HydrophobicContact CD1-CZ 4.24Å; L420-F455 HydrophobicContact CD1-CB 3.92Å; L420-F455 HydrophobicContact CD1-CD1 3.68Å; L420-F455 HydrophobicContact CD1-CG 4.1Å; P421-F455 HydrophobicContact CG-CE1 4.09Å; P421-F455 HydrophobicContact CG-CE2 4.46Å; P421-F455 HydrophobicContact CG-CZ 3.92Å; I424-F455 HydrophobicContact CD1-CD2 3.66Å; I424-F455 HydrophobicContact CD1-CE2 3.77Å; I451-F455 HydrophobicContact CB-CD2 4.5Å; I451-F455 HydrophobicContact CG2-CD2 3.91Å; I451-F455 HydrophobicContact CG2-CE2 4.5Å; I451-F455 WeakPolarHBondContact O-CB 3.27Å; I451-F455 PolarHBondContact O-N 3.36Å; F455-L457 HydrophobicContact CB-CD1 4.28Å; F455-L457 HydrophobicContact CB-CD2 4.27Å; F455-L457 HydrophobicContact CB-CG 3.93Å; F455-L457 PolarHBondContact O-N 3.11Å
456N97Very high96.9Very high147 Ų14760.1 Ų60.179%0.78631%0.311SS*.THydrogen-bonded Turntrans52.149.9179.7-170.543000113K452K452-N456 CarbonylContact O-C 3.53Å; K452-N456 WeakPolarHBondContact O-CA 3.43Å; K452-N456 PolarHBondContact O-N 3.31Å
457L96.8Very high96.6Very high23 Ų2361 Ų6112%0.1232%0.315CS..  trans-93.6156.6-178.8-53.8-177.8000112L20 V22 I424 I451 K452 F455L20-L457 HydrophobicContact CB-CD2 4.15Å; L20-L457 HydrophobicContact CD2-CD1 4.17Å; L20-L457 HydrophobicContact CD2-CD2 4.01Å; L20-L457 HydrophobicContact CG-CD1 4.35Å; L20-L457 HydrophobicContact CG-CD2 4.14Å; V22-L457 HydrophobicContact CG2-CD1 3.53Å; I424-L457 HydrophobicContact CD1-CD1 4.48Å; I451-L457 HydrophobicContact CG2-CD1 3.81Å; K452-L457 HydrophobicContact CG-CB 4.19Å; K452-L457 PolarHBondContact O-N 3.01Å; F455-L457 HydrophobicContact CB-CD1 4.28Å; F455-L457 HydrophobicContact CB-CD2 4.27Å; F455-L457 HydrophobicContact CB-CG 3.93Å; F455-L457 PolarHBondContact O-N 3.11Å
458T96.4Very high96.3Very high84 Ų8461.8 Ų61.852%0.51532%0.319SS..  trans-109171.2176.867.90000110.6N460 S461T458-N460 PolarHBondContact O-N 3.37Å; T458-N460 PolarHBondContact OG1-N 3.2Å; T458-S461 VanDerWaalsContact O-CB 3.26Å; T458-S461 WeakPolarHBondContact O-CB 3.44Å; T458-S461 PolarHBondContact O-N 2.96Å
459E96Very high96Very high128 Ų12861.2 Ų61.260%0.59832%0.316SS*.G310 helixtrans-56.4-33.9173.1-63.8-54.9149.400112.9K452 S461 I462K452-E459 IonicContact NZ-OE1 3.34Å; K452-E459 PolarHBondContact NZ-OE1 3.39Å; K452-E459 IonicContact NZ-OE2 3.61Å; K452-E459 PolarHBondContact NZ-OE2 2.84Å; E459-S461 PolarHBondContact O-N 3.12Å; E459-I462 PolarHBondContact O-N 3.13Å
460N95.9Very high95.7Very high145 Ų14557.4 Ų57.478%0.77530%0.297SS*.G310 helixtrans-68.5-14.5178.8-64.8-18.7000113.1T458 I462T458-N460 PolarHBondContact O-N 3.37Å; T458-N460 PolarHBondContact OG1-N 3.2Å; N460-I462 VanDerWaalsContact C-N 3.33Å
461S96.2Very high95.2Very high14 Ų1458 Ų5810%0.09830%0.301CS..G310 helixtrans-80.4-16.6174.1-58.40000112.3H21 V22 T458 E459H21-S461 WeakPolarHBondContact CA-O 3.33Å; V22-S461 PolarHBondContact N-O 3.4Å; T458-S461 VanDerWaalsContact O-CB 3.26Å; T458-S461 WeakPolarHBondContact O-CB 3.44Å; T458-S461 PolarHBondContact O-N 2.96Å; E459-S461 PolarHBondContact O-N 3.12Å
462I97.3Very high94.8Very high17 Ų1762.4 Ų62.49%0.08732%0.32CS..EExtended strand (participates in β ladder)trans-95.2122.9-175.8-46.9-52.7000109.9V22 I24 L448 K452 E459 N460 F464V22-I462 HydrophobicContact CB-CD1 3.65Å; V22-I462 HydrophobicContact CG1-CD1 4.26Å; V22-I462 HydrophobicContact CG2-CD1 3.62Å; I24-I462 HydrophobicContact CD1-CG2 3.56Å; I24-I462 HydrophobicContact CG1-CG2 4.39Å; L448-I462 HydrophobicContact CD1-CG2 4.4Å; L448-I462 HydrophobicContact CD2-CD1 3.95Å; L448-I462 HydrophobicContact CD2-CG1 4.42Å; L448-I462 HydrophobicContact CD2-CG2 4.02Å; K452-I462 VanDerWaalsContact CE-CG1 3.49Å; E459-I462 PolarHBondContact O-N 3.13Å; N460-I462 VanDerWaalsContact C-N 3.33Å; I462-F464 HydrophobicContact CG2-CD2 4.34Å; I462-F464 HydrophobicContact CG2-CE2 3.83Å; I462-F464 HydrophobicContact CG2-CZ 4.27Å
463I96.6Very high94.3Very high59 Ų5966.2 Ų66.230%0.30333%0.334SS..EExtended strand (participates in β ladder)trans-123.6109.2-176.1-58.1173.3000108.5H21 V22 Y23 I24H21-I463 HydrophobicContact CB-CD1 4.16Å; V22-I463 PolarHBondContact O-N 2.92Å; Y23-I463 WeakPolarHBondContact CA-O 3.36Å; Y23-I463 HydrophobicContact CD1-CB 3.88Å; Y23-I463 HydrophobicContact CD1-CD1 4.25Å; Y23-I463 HydrophobicContact CD1-CG2 3.88Å; Y23-I463 HydrophobicContact CE1-CB 4.05Å; Y23-I463 HydrophobicContact CE1-CD1 3.57Å; Y23-I463 HydrophobicContact CE1-CG1 4.4Å; Y23-I463 HydrophobicContact CE1-CG2 3.95Å; I24-I463 PolarHBondContact N-O 3.2Å
464F96.2Very high93.8Very high60 Ų6063.4 Ų63.426%0.26331%0.31SS..EExtended strand (participates in β ladder)trans-80.4127.9170.4-65.5-93.9000109.4I24 L448 I462 L468 K472I24-F464 HydrophobicContact CB-CD1 4.05Å; I24-F464 HydrophobicContact CB-CE1 4.46Å; I24-F464 HydrophobicContact CD1-CD1 3.54Å; I24-F464 HydrophobicContact CD1-CD2 4.3Å; I24-F464 HydrophobicContact CD1-CE1 3.2Å; I24-F464 HydrophobicContact CD1-CE2 3.99Å; I24-F464 HydrophobicContact CD1-CG 4.1Å; I24-F464 HydrophobicContact CD1-CZ 3.44Å; I24-F464 VanDerWaalsContact CD1-CZ 3.44Å; I24-F464 HydrophobicContact CG1-CD1 4.4Å; I24-F464 HydrophobicContact CG1-CE1 4.41Å; I24-F464 HydrophobicContact CG2-CD1 4.15Å; I24-F464 HydrophobicContact CG2-CE1 4.41Å; L448-F464 HydrophobicContact CD1-CZ 4.49Å; I462-F464 HydrophobicContact CG2-CD2 4.34Å; I462-F464 HydrophobicContact CG2-CE2 3.83Å; I462-F464 HydrophobicContact CG2-CZ 4.27Å; F464-L468 HydrophobicContact CB-CD1 3.85Å; F464-L468 HydrophobicContact CD1-CD1 3.7Å; F464-L468 HydrophobicContact CG-CD1 4.27Å; F464-K472 HydrophobicContact CB-CB 3.95Å; F464-K472 HydrophobicContact CD1-CB 3.66Å; F464-K472 HydrophobicContact CD2-CB 4.42Å; F464-K472 HydrophobicContact CE1-CB 4.23Å; F464-K472 WeakPolarHBondContact CE1-O 3.31Å; F464-K472 HydrophobicContact CG-CB 3.76Å; F464-K472 HydrophobicContact CG-CD 4.48Å
465T94.3Very high93.5Very high19 Ų1961.6 Ų61.612%0.11730%0.3CS..  trans-70.3169.517470.10000111.5I24 V25 Y34 H467I24-T465 WeakPolarHBondContact O-CG2 3.08Å; I24-T465 PolarHBondContact O-N 3.42Å; I24-T465 PolarHBondContact O-OG1 3.44Å; V25-T465 HydrophobicContact CG1-CG2 3.75Å; Y34-T465 HydrophobicContact CE2-CG2 4.18Å; Y34-T465 VanDerWaalsContact OH-CG2 3.23Å; Y34-T465 WeakPolarHBondContact OH-CG2 3.38Å; T465-H467 VanDerWaalsContact C-N 3.3Å
466K90.4Very high93.4Very high198 Ų19860.4 Ų60.486%0.86129%0.294SS*.SBendtrans-83.1-7.1-178.6-65.3-179.7-179.1175.70113.3
467H90.4Very high93.2Very high57 Ų5758 Ų5826%0.26428%0.275SS..  trans-111.713.5-166.3-53.3-58.7000113.3I370 R431 T465I370-H467 HydrophobicContact CG2-CB 4.33Å; I370-H467 VanDerWaalsContact CG2-ND1 3.26Å; I370-H467 WeakPolarHBondContact CG2-ND1 3.49Å; R431-H467 PolarHBondContact NH2-O 2.97Å; T465-H467 VanDerWaalsContact C-N 3.3Å
468L93.9Very high92.9Very high16 Ų1660.8 Ų60.88%0.08429%0.288CS..  trans-61.4135.7175.9-59179.6000111.5I24 V25 E26 F464 G470 K472I24-L468 HydrophobicContact CG2-CD1 4.5Å; I24-L468 HydrophobicContact CG2-CD2 4.23Å; V25-L468 VanDerWaalsContact C-CD2 3.41Å; E26-L468 HydrophobicContact CB-CD2 4.4Å; F464-L468 HydrophobicContact CB-CD1 3.85Å; F464-L468 HydrophobicContact CD1-CD1 3.7Å; F464-L468 HydrophobicContact CG-CD1 4.27Å; L468-G470 PolarHBondContact O-N 2.99Å; L468-K472 HydrophobicContact CD1-CB 4.24Å
469A92.4Very high92.7Very high0 Ų057 Ų570%026%0.264CS..SBendtrans-71128.817100000109.7E26 E280 R431 W476E26-A469 HydrophobicContact CG-CB 3.93Å; E26-A469 WeakPolarHBondContact OE1-CB 3.23Å; E26-A469 WeakPolarHBondContact OE2-CB 2.96Å; E26-A469 PolarHBondContact OE2-N 3.24Å; E280-A469 WeakPolarHBondContact OE1-CA 3.19Å; E280-A469 WeakPolarHBondContact OE1-CB 3.41Å; R431-A469 HydrophobicContact CB-CB 4.32Å; A469-W476 HydrophobicContact CB-CE3 3.72Å; A469-W476 HydrophobicContact CB-CZ3 4.19Å
470G90.4Very high92.2Very high6 Ų653.1 Ų53.16%0.06225%0.245CC..SBendtrans79.7-131.2-172.900000109.9N281 L468 W476N281-G470 PolarHBondContact ND2-O 3.42Å; N281-G470 VanDerWaalsContact OD1-CA 3.3Å; N281-G470 WeakPolarHBondContact OD1-CA 3.4Å; L468-G470 PolarHBondContact O-N 2.99Å; G470-W476 VanDerWaalsContact N-CE3 3.28Å
471D88.3Confident91.2Very high36 Ų3649.6 Ų49.619%0.19323%0.229CC..BIsolated β-bridgetrans-127.3168.6175.173.148.1000112.6R428 Y473 Y474 G475R428-D471 PolarHBondContact NH1-O 2.91Å; R428-D471 PolarHBondContact NH2-O 3.13Å; D471-Y473 PolarHBondContact O-N 2.92Å; D471-Y473 WeakPolarHBondContact OD1-CA 3.4Å; D471-Y473 PolarHBondContact OD1-N 2.81Å; D471-Y474 PolarHBondContact OD1-N 2.91Å; D471-Y474 WeakPolarHBondContact OD2-CD2 3.37Å; D471-G475 PolarHBondContact O-N 3.42Å; D471-G475 VanDerWaalsContact O-N 3.16Å
472K90.4Very high89.4Confident92 Ų9254.9 Ų54.940%0.425%0.247SC..THydrogen-bonded Turntrans-67.1-12.7-178.864.5171174.5163.10115R428 F464 L468R428-K472 PolarHBondContact NH2-O 2.98Å; F464-K472 HydrophobicContact CB-CB 3.95Å; F464-K472 HydrophobicContact CD1-CB 3.66Å; F464-K472 HydrophobicContact CD2-CB 4.42Å; F464-K472 HydrophobicContact CE1-CB 4.23Å; F464-K472 WeakPolarHBondContact CE1-O 3.31Å; F464-K472 HydrophobicContact CG-CB 3.76Å; F464-K472 HydrophobicContact CG-CD 4.48Å; L468-K472 HydrophobicContact CD1-CB 4.24Å
473Y88.2Confident87.2Confident108 Ų10857.3 Ų57.342%0.42426%0.258SS..THydrogen-bonded Turntrans-108.7-33.6-174.2-66.4-59.8000113.6Y441 D471Y441-Y473 WeakPolarHBondContact CD2-O 3.33Å; Y441-Y473 WeakPolarHBondContact CE2-O 3.24Å; D471-Y473 PolarHBondContact O-N 2.92Å; D471-Y473 WeakPolarHBondContact OD1-CA 3.4Å; D471-Y473 PolarHBondContact OD1-N 2.81Å
474Y87.9Confident84.8Confident59 Ų5960.3 Ų60.323%0.23128%0.275CS..THydrogen-bonded Turntrans-126.3-10.4-166.8-59.8-67.4000112.5D471 R482D471-Y474 PolarHBondContact OD1-N 2.91Å; D471-Y474 WeakPolarHBondContact OD2-CD2 3.37Å; Y474-R482 HydrophobicContact CE2-CG 3.99Å; Y474-R482 PolarHBondContact OH-NE 3.36Å; Y474-R482 PolarHBondContact OH-NH2 2.9Å
475G92.2Very high82.1Confident0 Ų063.8 Ų63.80%030%0.297CS..BIsolated β-bridgetrans66.6-159.7178.400000113.2Q440 D471Q440-G475 VanDerWaalsContact OE1-CA 3.27Å; D471-G475 PolarHBondContact O-N 3.42Å; D471-G475 VanDerWaalsContact O-N 3.16Å
476W93.9Very high79.4Confident1 Ų170.3 Ų70.30%0.00433%0.33CS..THydrogen-bonded Turntrans-73.2-38.1-176-167.5-100.4000112.8E280 D284 I362 I364 C365 C382 A469 G470 E478 R479E280-W476 HydrophobicContact CG-CH2 4.46Å; E280-W476 HydrophobicContact CG-CZ3 4.06Å; D284-W476 HydrophobicContact CB-CH2 4.35Å; I362-W476 PolarHBondContact O-NE1 2.94Å; I364-W476 WeakPolarHBondContact O-CH2 3.4Å; I364-W476 VanDerWaalsContact O-CZ2 3.23Å; I364-W476 WeakPolarHBondContact O-CZ2 3.42Å; C365-W476 HydrophobicContact CB-CH2 3.57Å; C365-W476 HydrophobicContact CB-CZ2 3.83Å; C365-W476 HydrophobicContact CB-CZ3 4.13Å; C382-W476 HydrophobicContact CB-CZ2 4Å; A469-W476 HydrophobicContact CB-CE3 3.72Å; A469-W476 HydrophobicContact CB-CZ3 4.19Å; G470-W476 VanDerWaalsContact N-CE3 3.28Å; W476-E478 PolarHBondContact O-N 2.94Å; W476-R479 WeakPolarHBondContact O-CD 3.5Å; W476-R479 WeakPolarHBondContact O-CG 3.26Å; W476-R479 PolarHBondContact O-N 3.3Å; W476-R479 PolarHBondContact O-NH1 3.08Å
477Y92.8Very high76.8Confident95 Ų9568.8 Ų68.837%0.37333%0.331SS..THydrogen-bonded Turntrans-64.2-37.6-171.7-173.4-100.1000113.4H361 R437 W438H361-Y477 AromaticContact CE1-CD2 3.58Å; H361-Y477 AromaticContact CE1-CE2 3.43Å; H361-Y477 VanDerWaalsContact CE1-CE2 3.43Å; H361-Y477 WeakPolarHBondContact CE1-CE2 3.44Å; H361-Y477 AromaticContact CE1-CZ 3.79Å; H361-Y477 AromaticContact NE2-CD2 3.13Å; H361-Y477 WeakPolarHBondContact NE2-CD2 3.49Å; H361-Y477 AromaticContact NE2-CE2 2.83Å; H361-Y477 WeakPolarHBondContact NE2-CE2 3.16Å; H361-Y477 AromaticContact NE2-CZ 3.56Å; R437-Y477 HydrophobicContact CB-CD2 4.33Å; R437-Y477 WeakPolarHBondContact O-CB 3.49Å; W438-Y477 HydrophobicContact CB-CD1 4.01Å; W438-Y477 HydrophobicContact CB-CD2 3.71Å; W438-Y477 HydrophobicContact CB-CE1 3.88Å; W438-Y477 HydrophobicContact CB-CE2 3.51Å; W438-Y477 HydrophobicContact CB-CG 3.97Å
478E91Very high76.1Confident83 Ų8369.4 Ų69.439%0.38833%0.334SS..THydrogen-bonded Turntrans-110.518.9-175.8-69.4-165.9162.300113.5W476 F480 T481W476-E478 PolarHBondContact O-N 2.94Å; E478-F480 PolarHBondContact O-N 3.09Å; E478-T481 HydrophobicContact CB-CG2 3.86Å; E478-T481 HydrophobicContact CG-CG2 4.32Å; E478-T481 WeakPolarHBondContact O-CB 3.44Å; E478-T481 WeakPolarHBondContact O-CG2 3.32Å; E478-T481 PolarHBondContact O-N 2.98Å; E478-T481 PolarHBondContact O-OG1 2.8Å
479R92.2Very high75.2Confident5 Ų572.2 Ų72.22%0.01935%0.348CS..THydrogen-bonded Turntrans-55.5-15.5-174.966.2-166.2179.3-78.8-0.7116.6D284 H361 W476D284-R479 IonicContact OD1-NH2 3.73Å; D284-R479 IonicContact OD2-CZ 2.75Å; D284-R479 IonicContact OD2-NE 2.76Å; D284-R479 PolarHBondContact OD2-NE 3.23Å; D284-R479 IonicContact OD2-NH2 3.35Å; D284-R479 PolarHBondContact OD2-NH2 2.93Å; H361-R479 PolarHBondContact O-NH1 2.76Å; H361-R479 PolarHBondContact O-NH2 2.99Å; W476-R479 WeakPolarHBondContact O-CD 3.5Å; W476-R479 WeakPolarHBondContact O-CG 3.26Å; W476-R479 PolarHBondContact O-N 3.3Å; W476-R479 PolarHBondContact O-NH1 3.08Å
480F84.9Confident74.2Confident45 Ų4576.2 Ų76.220%0.19737%0.367CS..THydrogen-bonded Turntrans-100.6-4.3178-56.8-44.4000114.8D284 Q285 H288 E478 R482 M483D284-F480 HydrophobicContact CB-CZ 4.48Å; D284-F480 WeakPolarHBondContact OD2-CZ 3.23Å; Q285-F480 HydrophobicContact CB-CE1 4.47Å; Q285-F480 HydrophobicContact CG-CD1 3.85Å; Q285-F480 HydrophobicContact CG-CE1 3.5Å; Q285-F480 VanDerWaalsContact CG-CE1 3.5Å; Q285-F480 HydrophobicContact CG-CZ 4.45Å; H288-F480 HydrophobicContact CB-CE2 4.26Å; H288-F480 HydrophobicContact CB-CZ 4.09Å; H288-F480 AromaticContact CG-CE2 3.99Å; H288-F480 AromaticContact ND1-CE2 3.55Å; E478-F480 PolarHBondContact O-N 3.09Å; F480-R482 VanDerWaalsContact C-N 3.28Å; F480-R482 PolarHBondContact O-N 3.39Å; F480-M483 PolarHBondContact O-N 3.15Å
481T76.1Confident73.3Confident72 Ų7280.4 Ų80.444%0.44239%0.385SS..THydrogen-bonded Turntrans-64.4-25.8-171.5520000114.5E478E478-T481 HydrophobicContact CB-CG2 3.86Å; E478-T481 HydrophobicContact CG-CG2 4.32Å; E478-T481 WeakPolarHBondContact O-CB 3.44Å; E478-T481 WeakPolarHBondContact O-CG2 3.32Å; E478-T481 PolarHBondContact O-N 2.98Å; E478-T481 PolarHBondContact O-OG1 2.8Å
482R57.4Low72.4Confident125 Ų12583.1 Ų83.147%0.47240%0.397SS..THydrogen-bonded Turntrans-104.5-13.8178-82.3-168.1173.3161.13.2116Y474 F480 N484 D485Y474-R482 HydrophobicContact CE2-CG 3.99Å; Y474-R482 PolarHBondContact OH-NE 3.36Å; Y474-R482 PolarHBondContact OH-NH2 2.9Å; F480-R482 VanDerWaalsContact C-N 3.28Å; F480-R482 PolarHBondContact O-N 3.39Å; R482-N484 PolarHBondContact O-N 3.35Å; R482-D485 PolarHBondContact O-N 3.06Å
483M52Low71.2Confident67 Ų6782.5 Ų82.533%0.3340%0.397SS..G310 helixtrans-69.1-27.3-177.1-68.2-96.6-17500111.7N281 Q285 F480 D485 N486N281-M483 HydrophobicContact CB-CE 4.17Å; Q285-M483 PolarHBondContact NE2-SD 3.43Å; F480-M483 PolarHBondContact O-N 3.15Å; M483-D485 PolarHBondContact O-N 3.32Å; M483-N486 PolarHBondContact O-N 2.9Å
484N45.6Very low69.9Low123 Ų12380.7 Ų80.766%0.65840%0.395SS*.G310 helixtrans-68.9-12.3177.7-72.1-19.1000114.3R482 N486R482-N484 PolarHBondContact O-N 3.35Å; N484-N486 VanDerWaalsContact C-N 3.32Å
485D40.5Very low68.6Low133 Ų13382.4 Ų82.471%0.71141%0.407SS*.G310 helixtrans-80.5-13.4176.5-71.1-24.5000112.8R482 M483R482-D485 PolarHBondContact O-N 3.06Å; M483-D485 PolarHBondContact O-N 3.32Å
486N36.8Very low66.6Low155 Ų15589.3 Ų89.383%0.82944%0.441SS*.  trans-124.74.7-173.7-73.8-35.1000115.2M483 N484M483-N486 PolarHBondContact O-N 2.9Å; N484-N486 VanDerWaalsContact C-N 3.32Å
487L35.9Very low64.1Low167 Ų16797.3 Ų97.387%0.87448%0.481SS*.  trans-106.50170.1-78.7166.6000109.8T324T324-L487 HydrophobicContact CG2-CD2 4.32Å

Retrieved 487 of 487 residues in 244.7 ms (Link to these results)

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