TPH2_MACMU Loading...

Tryptophan 5-hydroxylase 2

AlphaFold DB , UniProt , Accession Q2HZ26, Species MACMU (Macaca mulatta, Rhesus macaque), Gene TPH2, Length 490 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
1M36.9Very low46.9Very low112 Ų11232.2 Ų32.255%0.55217%0.168SC*.  0104.50-154.2-174.2-134.300103.2Y310 T413M1-Y310 VanDerWaalsContact C-CE2 3.47Å; M1-Y310 HydrophobicContact CB-CD2 3.51Å; M1-Y310 HydrophobicContact CB-CE2 3.26Å; M1-Y310 HydrophobicContact CG-CD2 4.15Å; M1-Y310 HydrophobicContact CG-CE2 3.43Å; M1-Y310 VanDerWaalsContact CG-CE2 3.43Å; M1-Y310 WeakPolarHBondContact O-CD2 3.28Å; M1-Y310 WeakPolarHBondContact O-CE2 3.31Å; M1-Y310 HydrophobicContact SD-CD2 4.37Å; M1-Y310 HydrophobicContact SD-CE2 3.75Å; M1-T413 WeakPolarHBondContact CG-O 3.26Å
2Q34Very low47.2Very low9 Ų932.7 Ų32.74%0.04217%0.167CC..  trans-146.790.8-171.1-84.4-174.2-25.700111.5A4 T311 G379 S382 I412Q2-A4 PolarHBondContact O-N 3.21Å; Q2-A4 VanDerWaalsContact O-N 3.1Å; Q2-T311 WeakPolarHBondContact CA-O 3.38Å; Q2-G379 PolarHBondContact NE2-O 2.82Å; Q2-G379 VanDerWaalsContact OE1-CA 3.23Å; Q2-G379 PolarHBondContact OE1-O 3.06Å; Q2-S382 PolarHBondContact NE2-O 3.42Å; Q2-S382 PolarHBondContact NE2-OG 2.96Å; Q2-I412 CarbonylContact C-O 3.58Å
3P40.2Very low47.1Very low4 Ų432.7 Ų32.73%0.02616%0.164CC..  trans-68.213.8170.9-15.89.5000118M5 M6 Y281 P312 I412 T413P3-M5 PolarHBondContact O-N 3.43Å; P3-M6 HydrophobicContact CB-CE 3.68Å; P3-M6 HydrophobicContact CB-CG 4.31Å; P3-M6 WeakPolarHBondContact O-CG 3.49Å; P3-M6 PolarHBondContact O-N 2.93Å; P3-Y281 PolarHBondContact O-OH 3.25Å; P3-P312 CarbonylContact C-O 2.88Å; P3-P312 WeakPolarHBondContact CA-O 3.36Å; P3-P312 HydrophobicContact CB-CB 4.03Å; P3-P312 WeakPolarHBondContact CB-O 3.42Å; P3-P312 VanDerWaalsContact CD-CA 3.45Å; P3-P312 VanDerWaalsContact CG-CA 3.43Å; P3-P312 HydrophobicContact CG-CB 3.53Å; P3-I412 WeakPolarHBondContact CA-O 3.43Å; P3-I412 VanDerWaalsContact CD-O 3.26Å; P3-I412 WeakPolarHBondContact CD-O 3.36Å; P3-T413 HydrophobicContact CG-CG2 4.44Å
4A39Very low46.8Very low6 Ų635 Ų355%0.0519%0.19CC..THydrogen-bonded Turntrans-48.4-3.9168.300000114.7Q2 Y281 P312 P314Q2-A4 PolarHBondContact O-N 3.21Å; Q2-A4 VanDerWaalsContact O-N 3.1Å; A4-Y281 WeakPolarHBondContact CA-OH 3.46Å; A4-Y281 PolarHBondContact N-OH 3.02Å; A4-Y281 WeakPolarHBondContact O-CE1 3.46Å; A4-P312 PolarHBondContact N-O 3Å; A4-P314 HydrophobicContact CB-CB 3.92Å; A4-P314 HydrophobicContact CB-CG 4.34Å
5M51.3Low46.3Very low2 Ų247.9 Ų47.91%0.0124%0.235CC..THydrogen-bonded Turntrans-128.815.6-165.7-54.9-161-76.700114.9P3 M7 F8 F359 E363 F364 I412P3-M5 PolarHBondContact O-N 3.43Å; M5-M7 PolarHBondContact O-N 3.49Å; M5-M7 VanDerWaalsContact O-N 3.09Å; M5-F8 HydrophobicContact CB-CD2 3.87Å; M5-F8 HydrophobicContact CG-CD2 4.36Å; M5-F8 PolarHBondContact O-N 3.38Å; M5-F359 HydrophobicContact CB-CD2 3.72Å; M5-F359 HydrophobicContact CB-CE2 3.33Å; M5-F359 HydrophobicContact CB-CZ 4.34Å; M5-F359 HydrophobicContact CE-CD2 4.11Å; M5-F359 HydrophobicContact CE-CE1 3.88Å; M5-F359 HydrophobicContact CE-CE2 3.25Å; M5-F359 HydrophobicContact CE-CZ 3.07Å; M5-F359 HydrophobicContact CG-CD2 3.99Å; M5-F359 HydrophobicContact CG-CE2 3.77Å; M5-F359 HydrophobicContact SD-CD1 4.16Å; M5-F359 HydrophobicContact SD-CD2 3.14Å; M5-F359 WeakPolarHBondContact SD-CD2 3.25Å; M5-F359 HydrophobicContact SD-CE1 3.89Å; M5-F359 HydrophobicContact SD-CE2 2.92Å; M5-F359 WeakPolarHBondContact SD-CE2 3.38Å; M5-F359 HydrophobicContact SD-CG 3.82Å; M5-F359 HydrophobicContact SD-CZ 3.3Å; M5-F359 WeakPolarHBondContact SD-CZ 3.31Å; M5-E363 HydrophobicContact SD-CB 3.87Å; M5-E363 HydrophobicContact SD-CG 4.2Å; M5-F364 HydrophobicContact CE-CD2 3.47Å; M5-F364 VanDerWaalsContact CE-CD2 3.47Å; M5-F364 HydrophobicContact CE-CE1 4.33Å; M5-F364 HydrophobicContact CE-CE2 2.96Å; M5-F364 HydrophobicContact CE-CG 4.43Å; M5-F364 HydrophobicContact CE-CZ 3.39Å; M5-F364 HydrophobicContact CG-CE2 4.2Å; M5-F364 HydrophobicContact SD-CD2 3.25Å; M5-F364 WeakPolarHBondContact SD-CD2 3.27Å; M5-F364 HydrophobicContact SD-CE2 2.96Å; M5-F364 WeakPolarHBondContact SD-CE2 3.19Å; M5-F364 HydrophobicContact SD-CZ 3.99Å; M5-I412 HydrophobicContact CB-CG2 4.04Å; M5-I412 WeakPolarHBondContact O-CG2 3.46Å
6M47.1Very low46.1Very low18 Ų1853.3 Ų53.39%0.08925%0.252CS..G310 helixtrans-54.1-30.8175.7-66.1-149.1-173.800112.7P3 F8 S9 Y12 M170 Y171 I412P3-M6 HydrophobicContact CB-CE 3.68Å; P3-M6 HydrophobicContact CB-CG 4.31Å; P3-M6 WeakPolarHBondContact O-CG 3.49Å; P3-M6 PolarHBondContact O-N 2.93Å; M6-F8 PolarHBondContact O-N 3.33Å; M6-F8 VanDerWaalsContact O-N 3.1Å; M6-S9 PolarHBondContact O-N 3.19Å; M6-Y12 HydrophobicContact CB-CD1 4.32Å; M6-Y12 HydrophobicContact CB-CE1 4.3Å; M6-Y12 HydrophobicContact SD-CD2 4.07Å; M6-Y12 HydrophobicContact SD-CE1 4.08Å; M6-Y12 HydrophobicContact SD-CE2 3.38Å; M6-Y12 WeakPolarHBondContact SD-CE2 3.34Å; M6-Y12 PolarHBondContact SD-OH 3.26Å; M6-M170 HydrophobicContact SD-CE 3.94Å; M6-M170 HydrophobicContact SD-SD 4.2Å; M6-Y171 HydrophobicContact CE-CE2 4.19Å; M6-Y171 WeakPolarHBondContact CE-OH 3.33Å; M6-Y171 HydrophobicContact SD-CE2 4.08Å; M6-I412 HydrophobicContact CE-CD1 4.23Å; M6-I412 HydrophobicContact CG-CD1 3.76Å; M6-I412 HydrophobicContact SD-CD1 4.22Å
7M50.8Low45.2Very low12 Ų1252.9 Ų52.96%0.05927%0.266CS..G310 helixtrans-60-19.5175.867.6-173.5-76.900114.2M5 W13 P284 F287M5-M7 PolarHBondContact O-N 3.49Å; M5-M7 VanDerWaalsContact O-N 3.09Å; M7-W13 HydrophobicContact CB-CZ2 4.38Å; M7-W13 PolarHBondContact O-NE1 3Å; M7-P284 HydrophobicContact CB-CG 4.22Å; M7-P284 HydrophobicContact CE-CB 4.45Å; M7-P284 VanDerWaalsContact O-CG 3.23Å; M7-P284 WeakPolarHBondContact O-CG 3.2Å; M7-F287 HydrophobicContact CE-CB 3.75Å; M7-F287 HydrophobicContact CE-CD1 3.75Å; M7-F287 HydrophobicContact CE-CG 3.8Å
8F54.5Low44.4Very low1 Ų157.4 Ų57.40%0.00428%0.284CS..G310 helixtrans-103.2-5.8-174.9-56.9-68.8000113.9M5 M6 S10 Q352 A355 Y358 F359 E363 C410M5-F8 HydrophobicContact CB-CD2 3.87Å; M5-F8 HydrophobicContact CG-CD2 4.36Å; M5-F8 PolarHBondContact O-N 3.38Å; M6-F8 PolarHBondContact O-N 3.33Å; M6-F8 VanDerWaalsContact O-N 3.1Å; F8-S10 PolarHBondContact O-N 2.91Å; F8-Q352 PolarHBondContact O-NE2 2.89Å; F8-A355 HydrophobicContact CD1-CB 3.44Å; F8-A355 VanDerWaalsContact CD1-CB 3.44Å; F8-A355 WeakPolarHBondContact CD1-O 3.28Å; F8-A355 HydrophobicContact CE1-CB 3.68Å; F8-A355 VanDerWaalsContact CE1-O 3.24Å; F8-A355 WeakPolarHBondContact CE1-O 3.14Å; F8-Y358 AromaticContact CE1-CD1 3.64Å; F8-Y358 HydrophobicContact CE1-CD1 3.64Å; F8-Y358 HydrophobicContact CE1-CE1 4.37Å; F8-Y358 HydrophobicContact CE1-CG 4.29Å; F8-Y358 AromaticContact CE2-CD1 3.99Å; F8-Y358 HydrophobicContact CE2-CD1 3.99Å; F8-Y358 HydrophobicContact CE2-CE1 4.07Å; F8-Y358 AromaticContact CZ-CD1 3.19Å; F8-Y358 HydrophobicContact CZ-CD1 3.19Å; F8-Y358 AromaticContact CZ-CE1 3.5Å; F8-Y358 HydrophobicContact CZ-CE1 3.5Å; F8-Y358 VanDerWaalsContact CZ-CE1 3.5Å; F8-Y358 HydrophobicContact CZ-CG 4.2Å; F8-F359 HydrophobicContact CB-CB 4.17Å; F8-F359 HydrophobicContact CB-CD2 3.41Å; F8-F359 VanDerWaalsContact CB-CD2 3.41Å; F8-F359 HydrophobicContact CB-CE2 4.1Å; F8-F359 HydrophobicContact CB-CG 4.21Å; F8-F359 HydrophobicContact CD1-CB 4.24Å; F8-F359 HydrophobicContact CD2-CB 4.25Å; F8-F359 AromaticContact CD2-CD2 3.56Å; F8-F359 HydrophobicContact CD2-CD2 3.56Å; F8-F359 HydrophobicContact CD2-CE2 4.46Å; F8-F359 HydrophobicContact CD2-CG 4.39Å; F8-F359 HydrophobicContact CG-CB 3.96Å; F8-F359 AromaticContact CG-CD2 3.65Å; F8-F359 HydrophobicContact CG-CD2 3.65Å; F8-F359 HydrophobicContact CG-CG 4.32Å; F8-E363 HydrophobicContact CE2-CG 4.34Å; F8-C410 HydrophobicContact CB-CB 4.18Å; F8-C410 PolarHBondContact O-SG 3.09Å
9S55.7Low44.1Very low11 Ų1156.9 Ų56.98%0.07729%0.286CS..  trans-87.7108.2179.6-177.60000111.1M6 K11 Y12 W13M6-S9 PolarHBondContact O-N 3.19Å; S9-K11 PolarHBondContact O-N 3.27Å; S9-Y12 VanDerWaalsContact O-CB 3.28Å; S9-Y12 WeakPolarHBondContact O-CB 3.2Å; S9-Y12 PolarHBondContact O-N 3.44Å; S9-Y12 PolarHBondContact OG-N 3.45Å; S9-W13 PolarHBondContact O-N 2.92Å
10S53.4Low43.5Very low63 Ų6360.2 Ų60.244%0.44130%0.304SS..Hα-helixtrans-58.7-36.4176.263.90000112.5F8 Y12 W13 A14F8-S10 PolarHBondContact O-N 2.91Å; S10-Y12 VanDerWaalsContact C-N 3.28Å; S10-Y12 PolarHBondContact O-N 3.3Å; S10-W13 PolarHBondContact O-N 2.93Å; S10-A14 VanDerWaalsContact O-CB 3.27Å; S10-A14 WeakPolarHBondContact O-CB 3.33Å; S10-A14 PolarHBondContact O-N 3.29Å
11K52.6Low43.1Very low116 Ų11661.2 Ų61.250%0.50431%0.31SS..Hα-helixtrans-65.7-31.7175.1-69.8-178.2-172.2160.50112.4S9 R15 E409S9-K11 PolarHBondContact O-N 3.27Å; K11-R15 WeakPolarHBondContact O-CG 3.32Å; K11-R15 PolarHBondContact O-N 2.78Å; K11-E409 WeakPolarHBondContact CD-OE1 3.42Å; K11-E409 WeakPolarHBondContact CE-OE1 3.39Å; K11-E409 IonicContact NZ-OE1 3.05Å; K11-E409 PolarHBondContact NZ-OE1 3.31Å; K11-E409 IonicContact NZ-OE2 3.79Å; K11-E409 PolarHBondContact NZ-OE2 3.25Å
12Y50.4Low42.8Very low38 Ų3861.7 Ų61.715%0.14932%0.324CS..Hα-helixtrans-68.6-48.5176.7-169.2-92.9000111.2M6 S9 S10 R15 R16 M170 I412M6-Y12 HydrophobicContact CB-CD1 4.32Å; M6-Y12 HydrophobicContact CB-CE1 4.3Å; M6-Y12 HydrophobicContact SD-CD2 4.07Å; M6-Y12 HydrophobicContact SD-CE1 4.08Å; M6-Y12 HydrophobicContact SD-CE2 3.38Å; M6-Y12 WeakPolarHBondContact SD-CE2 3.34Å; M6-Y12 PolarHBondContact SD-OH 3.26Å; S9-Y12 VanDerWaalsContact O-CB 3.28Å; S9-Y12 WeakPolarHBondContact O-CB 3.2Å; S9-Y12 PolarHBondContact O-N 3.44Å; S9-Y12 PolarHBondContact OG-N 3.45Å; S10-Y12 VanDerWaalsContact C-N 3.28Å; S10-Y12 PolarHBondContact O-N 3.3Å; Y12-R15 PolarHBondContact O-N 3.46Å; Y12-R16 PolarHBondContact O-N 3.41Å; Y12-R16 PolarHBondContact OH-NE 3.29Å; Y12-R16 PolarHBondContact OH-NH1 3.02Å; Y12-R16 PolarHBondContact OH-NH2 2.97Å; Y12-M170 HydrophobicContact CE1-SD 3.55Å; Y12-M170 VanDerWaalsContact CE1-SD 3.55Å; Y12-M170 WeakPolarHBondContact OH-CE 3.49Å; Y12-M170 PolarHBondContact OH-SD 3.35Å; Y12-I412 HydrophobicContact CD2-CD1 4.34Å
13W46.8Very low42.5Very low33 Ų3364.3 Ų64.313%0.12535%0.348CS..Hα-helixtrans-67.7-37.9176.7-67.4116.2000113.3M7 S9 S10 R15 R16 G17 L169M7-W13 HydrophobicContact CB-CZ2 4.38Å; M7-W13 PolarHBondContact O-NE1 3Å; S9-W13 PolarHBondContact O-N 2.92Å; S10-W13 PolarHBondContact O-N 2.93Å; W13-R15 PolarHBondContact O-N 2.91Å; W13-R15 VanDerWaalsContact O-N 3.15Å; W13-R16 CarbonylContact O-C 3.04Å; W13-R16 PolarHBondContact O-N 3.38Å; W13-G17 PolarHBondContact O-N 3.48Å; W13-L169 HydrophobicContact CH2-CB 4.1Å; W13-L169 HydrophobicContact CH2-CD1 3.22Å; W13-L169 HydrophobicContact CH2-CG 4.2Å; W13-L169 HydrophobicContact CZ2-CD1 3.99Å; W13-L169 HydrophobicContact CZ3-CD1 3.82Å
14A42.8Very low41.9Very low65 Ų6569.6 Ų69.654%0.53738%0.38SS..Hα-helixtrans-58.4-29.5174.800000112.5S10 F18S10-A14 VanDerWaalsContact O-CB 3.27Å; S10-A14 WeakPolarHBondContact O-CB 3.33Å; S10-A14 PolarHBondContact O-N 3.29Å; A14-F18 HydrophobicContact CB-CE2 4.28Å
15R39.4Very low41.3Very low229 Ų22973.9 Ų73.986%0.86441%0.407SS*.Hα-helixtrans-80.5-20.7174.4-73.4-178.1-176.6-1682.3114K11 Y12 W13K11-R15 WeakPolarHBondContact O-CG 3.32Å; K11-R15 PolarHBondContact O-N 2.78Å; Y12-R15 PolarHBondContact O-N 3.46Å; W13-R15 PolarHBondContact O-N 2.91Å; W13-R15 VanDerWaalsContact O-N 3.15Å
16R42.2Very low40.1Very low134 Ų13481.8 Ų81.851%0.50644%0.444SS..Hα-helixtrans-110.2-2.4-176.1-72.7-164.3175.9-170.31.5114.9Y12 W13 M170Y12-R16 PolarHBondContact O-N 3.41Å; Y12-R16 PolarHBondContact OH-NE 3.29Å; Y12-R16 PolarHBondContact OH-NH1 3.02Å; Y12-R16 PolarHBondContact OH-NH2 2.97Å; W13-R16 CarbonylContact O-C 3.04Å; W13-R16 PolarHBondContact O-N 3.38Å; R16-M170 PolarHBondContact NH1-SD 2.9Å
17G30.8Very low39.2Very low47 Ų4788.8 Ų88.849%0.48548%0.476SS..  trans90.1131.5-177.900000111.3W13W13-G17 PolarHBondContact O-N 3.48Å
18F31.4Very low38.2Very low134 Ų13497.5 Ų97.559%0.58852%0.517SS*.SBendtrans-72137.2174.3-81.3-93.2000110.3A14A14-F18 HydrophobicContact CB-CE2 4.28Å
19S38.6Very low37Very low47 Ų47105.6 Ų105.633%0.32955%0.554SS.*  trans46.5111.6164.3-163.60000118.2D21 D348S19-D21 PolarHBondContact O-N 3.02Å; S19-D348 VanDerWaalsContact CB-OD2 3.29Å; S19-D348 WeakPolarHBondContact CB-OD2 3.32Å
20L31.7Very low35.6Very low122 Ų122113.1 Ų113.164%0.63959%0.593SS**G310 helixtrans-71.21.8173.5-109.2147.9000114S22 A23 L169L20-S22 PolarHBondContact O-N 3.2Å; L20-S22 VanDerWaalsContact O-N 3.13Å; L20-A23 HydrophobicContact CD2-CB 4.11Å; L20-A23 PolarHBondContact O-N 3.42Å; L20-L169 HydrophobicContact CD1-CD2 4.06Å
21D35.5Very low34.4Very low82 Ų82118.9 Ų118.944%0.43962%0.618SS.*G310 helixtrans-70.1-4.1176.4-74.6-26.2000113.2S19 R167S19-D21 PolarHBondContact O-N 3.02Å; D21-R167 IonicContact OD1-NH1 3.96Å; D21-R167 PolarHBondContact OD1-NH1 2.91Å
22S31.3Very low33.2Very low122 Ų122116.7 Ų116.785%0.85363%0.628SS**G310 helixtrans-99.25.6172.3-56.90000114.9L20L20-S22 PolarHBondContact O-N 3.2Å; L20-S22 VanDerWaalsContact O-N 3.13Å
23A27Very low32Very low64 Ų64122.3 Ų122.353%0.52966%0.661SS.*  trans-131.234.6-173.500000114.4L20 P25L20-A23 HydrophobicContact CD2-CB 4.11Å; L20-A23 PolarHBondContact O-N 3.42Å; A23-P25 WeakPolarHBondContact O-CD 3.27Å
24V28.3Very low31.1Very low115 Ų115129.2 Ų129.270%0.69770%0.699SS**  trans-78118.6159.2-171.20000107E26V24-E26 PolarHBondContact O-N 3.46Å
25P26Very low30.5Very low97 Ų97132.6 Ų132.663%0.6371%0.713SS**  trans-59.2125.8166.7-16.329.7000107.9A23 E27A23-P25 WeakPolarHBondContact O-CD 3.27Å; P25-E27 HydrophobicContact CB-CG 4.24Å; P25-E27 PolarHBondContact O-N 3.16Å
26E26.7Very low29.9Very low168 Ų168128.6 Ų128.679%0.78571%0.708SS**  trans-59.973.9163.8-71-178.7151.400109.6V24V24-E26 PolarHBondContact O-N 3.46Å
27E27.5Very low29.3Very low164 Ų164129.2 Ų129.277%0.76672%0.722SS**  trans-100.839.3173.6-84.7-164.7164.200111.2P25P25-E27 HydrophobicContact CB-CG 4.24Å; P25-E27 PolarHBondContact O-N 3.16Å
28H29.6Very low29.4Very low195 Ų195136.3 Ų136.390%0.90374%0.739SS**SBendtrans-152.650.9165.1-80.9-54.9000112.8
29Q28.6Very low29.4Very low171 Ų171134.1 Ų134.180%0.79975%0.746SS**SBendtrans-14017.8168.6-93.3-171.222.200115.7
30L26.7Very low29.2Very low170 Ų170139.3 Ų139.389%0.8977%0.77SS**  trans-119.547.3-178.1-83.5163.2000114.3
31L27.7Very low29.2Very low184 Ų184139 Ų13996%0.96378%0.778SS**SBendtrans-145.284.7167.1-85.6168000110.5
32G27.5Very low29.1Very low69 Ų69138.4 Ų138.471%0.71179%0.791SS**SBendtrans146.161.2164.800000115.9
33N27.1Very low29.4Very low156 Ų156141.6 Ų141.683%0.83479%0.79SS**  trans-157.971.7160.7-96.7-22.7000110.9
34L26.5Very low29.8Very low178 Ų178144.6 Ų144.693%0.93280%0.797SS**  trans-140.886.1160.7-77.3176.1000109.7
35T31.1Very low30.2Very low136 Ų136145.3 Ų145.383%0.83480%0.797SS**  trans-79.5134.516135.70000110.8
36L27.3Very low30.8Very low146 Ų146146.6 Ų146.676%0.76480%0.799SS**  trans-45.7145.2177.3-71.777.1000114.9
37N29.4Very low31.2Very low147 Ų147147.4 Ų147.479%0.78680%0.8SS**  176.9145.3104.1-93-39.2000116
38K33Very low31.6Very low195 Ų195143.3 Ų143.385%0.84880%0.801SS**  trans91.390155.3-75.5176.7177.3177.90121.1
39A31.1Very low31.9Very low88 Ų88140.9 Ų140.973%0.72780%0.795SS**  30.1122.3119.700000120.6
40N33.1Very low32.1Very low156 Ų156142.3 Ų142.383%0.83480%0.798SS**  -176.3133.796.9-110.7-11.8000114.5
41S33.4Very low32.5Very low116 Ų116138 Ų13881%0.81180%0.795SS**  trans18139156.274.70000123.8
42G33.4Very low32.5Very low70 Ų70134.8 Ų134.872%0.72279%0.788SS**  153.685.6127.900000119.3
43K36.9Very low32.8Very low189 Ų189137 Ų13782%0.82279%0.792SS**  trans60.6114.9136.6-74.6-176.2173.9174.60120.9
44N35.6Very low32.9Very low126 Ų126139 Ų13967%0.67479%0.793SS**  86.7144102.4-76.932.3000111.7
45D35.4Very low33.1Very low131 Ų131138.1 Ų138.170%0.70179%0.79SS**  cis-166.1155.5-4-93.4-38.7000103.7
46D38.7Very low33Very low124 Ų124140.5 Ų140.566%0.66379%0.791SS**  149.2117117.4-136.716.3000115.2
47K36.7Very low33Very low185 Ų185140 Ų14080%0.80480%0.795SS**  trans38.8133.8144.2-73.2178.3-158.695.10122.6
48G35.2Very low33Very low77 Ų77137.6 Ų137.679%0.79480%0.795SS**  trans176.433.9158.800000123.3
49N35.7Very low33.1Very low145 Ų145134.7 Ų134.778%0.77579%0.794SS**  trans58.5111148.2-142.221.1000123.4
50K32.4Very low33.5Very low201 Ų201138.9 Ų138.987%0.87480%0.799SS**  trans40.9116135.5-70-179.8179.4175.60122.1
51G34.7Very low34.4Very low80 Ų80135.1 Ų135.183%0.82579%0.785SS**  trans-157.2111.7149.100000110.4
52S29.1Very low35.8Very low115 Ų115131.2 Ų131.280%0.80476%0.763SS**  trans-73.6129-175.9159.30000112.2
53S32.7Very low37.7Very low116 Ų116137 Ų13781%0.81177%0.768SS**  trans-155.4120.1143.3-82.30000110
54K30Very low39.9Very low197 Ų197129.1 Ų129.186%0.85774%0.736SS**  trans-57.3129.1168.7-66.9172174.5178.50108.3
55N30Very low42.2Very low161 Ų161123.7 Ų123.786%0.86171%0.708SS**  trans-150136.4148-100-10.7000109.5
56E28.9Very low44.7Very low185 Ų185117.4 Ų117.486%0.86468%0.675SS**  trans-66.7142.6-164.8-64.8163.3150.800111.7A58E56-A58 PolarHBondContact O-N 2.89Å
57T27.5Very low47Very low137 Ų137111.9 Ų111.984%0.8465%0.645SS**  trans-64.795.5171.8450000109.6T59T57-T59 PolarHBondContact O-N 2.85Å
58A28.9Very low49.5Very low96 Ų96103 Ų10379%0.79361%0.607SS**  trans-68.9107.2165.600000108.7E56 E60E56-A58 PolarHBondContact O-N 2.89Å; A58-E60 PolarHBondContact O-N 3.45Å
59T36.7Very low52Low133 Ų13399.4 Ų99.482%0.81657%0.569SS**  trans-66.1113.817041.90000109.3T57 S61T57-T59 PolarHBondContact O-N 2.85Å; T59-S61 PolarHBondContact O-N 3.14Å; T59-S61 VanDerWaalsContact O-N 3.07Å
60E38.6Very low54.6Low177 Ų17793.2 Ų93.283%0.82754%0.536SS*.  trans-53108.8174.7-73.3177.9150.100111.2A58 G62A58-E60 PolarHBondContact O-N 3.45Å; E60-G62 PolarHBondContact O-N 3Å
61S52.3Low57.1Low77 Ų7789.4 Ų89.454%0.53852%0.519SS..  trans-77.4111.6164.6590000108.5T59 E113T59-S61 PolarHBondContact O-N 3.14Å; T59-S61 VanDerWaalsContact O-N 3.07Å; S61-E113 PolarHBondContact OG-OE1 3.13Å
62G63.4Low59.3Low34 Ų3491.5 Ų91.535%0.35151%0.512SS..EExtended strand (participates in β ladder)trans-92.1134.6177.500000110.8E60 T64E60-G62 PolarHBondContact O-N 3Å; G62-T64 PolarHBondContact O-N 2.98Å
63K71.6Confident62Low190 Ų19091.8 Ų91.883%0.82650%0.5SS*.EExtended strand (participates in β ladder)trans-65.9130.2162.4-70.8-174.1178.2-176.80108.8
64T83.6Confident64.3Low25 Ų2593.6 Ų93.615%0.15351%0.506CS..EExtended strand (participates in β ladder)trans-137.1151.8178.950.10000109.5G62 C112 F119 N136G62-T64 PolarHBondContact O-N 2.98Å; T64-C112 PolarHBondContact N-O 3.39Å; T64-C112 WeakPolarHBondContact O-CA 3.31Å; T64-C112 WeakPolarHBondContact O-CB 3.39Å; T64-C112 PolarHBondContact O-N 2.94Å; T64-C112 VanDerWaalsContact O-O 3.14Å; T64-F119 HydrophobicContact CG2-CD1 4.39Å; T64-F119 HydrophobicContact CG2-CE1 4.43Å; T64-F119 HydrophobicContact CG2-CG 4.44Å; T64-F119 VanDerWaalsContact OG1-CD2 3.31Å; T64-F119 WeakPolarHBondContact OG1-CD2 3.45Å; T64-F119 WeakPolarHBondContact OG1-CE2 3.4Å; T64-N136 WeakPolarHBondContact CA-OD1 3.4Å
65A85Confident66.9Low11 Ų1185.8 Ų85.89%0.09148%0.482CS..EExtended strand (participates in β ladder)trans-126.7145.7179.400000110.6F109 V110 N136A65-F109 HydrophobicContact CB-CE2 4Å; A65-F109 HydrophobicContact CB-CZ 4.14Å; A65-V110 WeakPolarHBondContact CA-O 3.35Å; A65-N136 PolarHBondContact N-OD1 3.41Å; A65-N136 WeakPolarHBondContact O-CA 3.28Å; A65-N136 PolarHBondContact O-N 3.38Å; A65-N136 PolarHBondContact O-OD1 2.97Å
66V88Confident69.6Low0 Ų079 Ų790%045%0.45CS..EExtended strand (participates in β ladder)trans-133.7138.9174.462.60000110.6F68 F84 V110 F119 I123 L126 V133 L135V66-F68 HydrophobicContact CG1-CD1 4.38Å; V66-F68 HydrophobicContact CG1-CE1 4.5Å; V66-F68 HydrophobicContact CG2-CD1 4.3Å; V66-F84 HydrophobicContact CG1-CE1 4.04Å; V66-F84 HydrophobicContact CG1-CZ 3.75Å; V66-V110 HydrophobicContact CG1-CB 4.01Å; V66-V110 PolarHBondContact N-O 3.04Å; V66-V110 PolarHBondContact O-N 2.82Å; V66-F119 HydrophobicContact CB-CE2 4.44Å; V66-F119 HydrophobicContact CB-CZ 4.29Å; V66-I123 HydrophobicContact CB-CD1 4.05Å; V66-I123 HydrophobicContact CG2-CD1 3.53Å; V66-L126 HydrophobicContact CG1-CD1 4.46Å; V66-L126 HydrophobicContact CG2-CD1 4.13Å; V66-V133 HydrophobicContact CG2-CG1 3.78Å; V66-L135 HydrophobicContact CG2-CD2 4.19Å
67V86Confident72.4Confident7 Ų773.3 Ų73.34%0.04243%0.425CS..EExtended strand (participates in β ladder)trans-118.8128.5172.8166.50000108.9I108 F109 V133 T134 P137 W142V67-I108 CarbonylContact C-O 3.58Å; V67-I108 VanDerWaalsContact CA-O 3.27Å; V67-I108 WeakPolarHBondContact CA-O 3.36Å; V67-F109 HydrophobicContact CG2-CB 4.22Å; V67-F109 HydrophobicContact CG2-CD2 3.55Å; V67-F109 HydrophobicContact CG2-CE2 4.43Å; V67-F109 HydrophobicContact CG2-CG 4.35Å; V67-V133 CarbonylContact O-C 3.57Å; V67-V133 VanDerWaalsContact O-CA 3.29Å; V67-V133 WeakPolarHBondContact O-CA 3.44Å; V67-T134 PolarHBondContact N-O 3.21Å; V67-T134 PolarHBondContact O-N 3.4Å; V67-P137 HydrophobicContact CB-CG 4.25Å; V67-P137 HydrophobicContact CG2-CB 4.46Å; V67-P137 HydrophobicContact CG2-CG 3.52Å; V67-W142 HydrophobicContact CG1-CZ2 3.96Å; V67-W142 HydrophobicContact CG2-CG 4.41Å; V67-W142 HydrophobicContact CG2-CZ2 4.39Å
68F89.2Confident75.3Confident0 Ų070.6 Ų70.60%041%0.408CS..EExtended strand (participates in β ladder)trans-138.9146.4177.258.8-90.4000113.4V66 L70 A80 F84 E107 I108 V110 L126 T130 I132 V133V66-F68 HydrophobicContact CG1-CD1 4.38Å; V66-F68 HydrophobicContact CG1-CE1 4.5Å; V66-F68 HydrophobicContact CG2-CD1 4.3Å; F68-L70 HydrophobicContact CD2-CD1 4.37Å; F68-L70 HydrophobicContact CD2-CD2 3.54Å; F68-L70 HydrophobicContact CD2-CG 3.81Å; F68-L70 HydrophobicContact CE2-CD1 3.9Å; F68-L70 HydrophobicContact CE2-CD2 3.69Å; F68-L70 HydrophobicContact CE2-CG 3.85Å; F68-A80 HydrophobicContact CE2-CB 3.71Å; F68-A80 HydrophobicContact CZ-CB 4.14Å; F68-F84 AromaticContact CE1-CE2 3.91Å; F68-F84 HydrophobicContact CE1-CE2 3.91Å; F68-F84 AromaticContact CE1-CZ 3.83Å; F68-F84 HydrophobicContact CE1-CZ 3.83Å; F68-F84 HydrophobicContact CZ-CE2 4.16Å; F68-F84 HydrophobicContact CZ-CZ 4.49Å; F68-E107 CarbonylContact O-C 3.53Å; F68-I108 HydrophobicContact CD1-CB 4.42Å; F68-I108 HydrophobicContact CD2-CB 3.98Å; F68-I108 HydrophobicContact CD2-CG1 4.27Å; F68-I108 HydrophobicContact CE1-CB 4.03Å; F68-I108 HydrophobicContact CE1-CG2 3.88Å; F68-I108 HydrophobicContact CE2-CB 3.56Å; F68-I108 HydrophobicContact CE2-CG1 3.76Å; F68-I108 HydrophobicContact CE2-CG2 3.93Å; F68-I108 HydrophobicContact CG-CB 4.41Å; F68-I108 HydrophobicContact CZ-CB 3.6Å; F68-I108 HydrophobicContact CZ-CG1 4.2Å; F68-I108 HydrophobicContact CZ-CG2 3.45Å; F68-I108 VanDerWaalsContact CZ-CG2 3.45Å; F68-I108 PolarHBondContact N-O 2.87Å; F68-I108 PolarHBondContact O-N 2.86Å; F68-V110 HydrophobicContact CE1-CG2 3.71Å; F68-V110 HydrophobicContact CZ-CG2 4.27Å; F68-L126 HydrophobicContact CD1-CD1 4.24Å; F68-L126 HydrophobicContact CD1-CD2 4.29Å; F68-L126 HydrophobicContact CD2-CD2 4.49Å; F68-L126 HydrophobicContact CE1-CD2 4.37Å; F68-L126 HydrophobicContact CG-CD2 4.34Å; F68-L126 HydrophobicContact CZ-CD2 4.49Å; F68-T130 HydrophobicContact CB-CG2 4.03Å; F68-T130 HydrophobicContact CD2-CG2 3.69Å; F68-T130 HydrophobicContact CE2-CG2 4.49Å; F68-T130 HydrophobicContact CG-CG2 4.12Å; F68-I132 CarbonylContact C-O 3.51Å; F68-I132 WeakPolarHBondContact CA-O 3.35Å; F68-I132 WeakPolarHBondContact CB-O 3.45Å; F68-V133 HydrophobicContact CB-CG2 4.28Å
69S88Confident78.1Confident1 Ų172.1 Ų72.11%0.00740%0.397CS..EExtended strand (participates in β ladder)trans-101.1131.7178.9-53.20000111.1V106 E107 T130 T131 I132S69-V106 WeakPolarHBondContact CA-O 3.45Å; S69-E107 WeakPolarHBondContact OG-CG 3.45Å; S69-T130 WeakPolarHBondContact O-CA 3.47Å; S69-T130 WeakPolarHBondContact O-CB 3.38Å; S69-T131 PolarHBondContact O-N 3.49Å; S69-I132 PolarHBondContact N-O 3.15Å
70L89.2Confident80.6Confident14 Ų1465.9 Ų65.97%0.07336%0.358CS..EExtended strand (participates in β ladder)trans-119147.9179-52175.3000109.9F68 L77 A80 E105 V106 I108 T130F68-L70 HydrophobicContact CD2-CD1 4.37Å; F68-L70 HydrophobicContact CD2-CD2 3.54Å; F68-L70 HydrophobicContact CD2-CG 3.81Å; F68-L70 HydrophobicContact CE2-CD1 3.9Å; F68-L70 HydrophobicContact CE2-CD2 3.69Å; F68-L70 HydrophobicContact CE2-CG 3.85Å; L70-L77 HydrophobicContact CD1-CB 4.07Å; L70-L77 HydrophobicContact CD1-CD1 3.9Å; L70-A80 HydrophobicContact CD1-CB 4.47Å; L70-A80 HydrophobicContact CD2-CB 4.02Å; L70-E105 CarbonylContact O-C 3.53Å; L70-E105 WeakPolarHBondContact O-CA 3.48Å; L70-E105 WeakPolarHBondContact O-CB 3.41Å; L70-V106 PolarHBondContact N-O 3.02Å; L70-V106 PolarHBondContact O-N 3.44Å; L70-I108 HydrophobicContact CD1-CD1 4.31Å; L70-I108 HydrophobicContact CD1-CG1 3.61Å; L70-I108 HydrophobicContact CG-CG1 4.08Å; L70-T130 HydrophobicContact CD2-CG2 3.52Å
71K85.5Confident83Confident121 Ų12159.5 Ų59.553%0.52633%0.33SS..EExtended strand (participates in β ladder)trans-66.4141.6160.9-72.8-174.5179.2179.40109.9E73 E105K71-E73 HydrophobicContact CB-CG 4.05Å; K71-E73 WeakPolarHBondContact CD-OE1 3.36Å; K71-E73 PolarHBondContact O-N 3.22Å; K71-E105 HydrophobicContact CG-CG 4.45Å
72N81.4Confident84.9Confident124 Ų12462.6 Ų62.666%0.66333%0.33SS*.SBendtrans-74.875.1176.9-169.319.9000111S104 V106N72-S104 WeakPolarHBondContact CB-O 3.39Å; N72-S104 PolarHBondContact N-O 3.49Å; N72-V106 HydrophobicContact CB-CG2 4.09Å
73E85.1Confident86.2Confident121 Ų12161.2 Ų61.257%0.56532%0.315SS*.  trans-121.8149.5-179-66.7176.1-167.400110.9K71 G75 G76K71-E73 HydrophobicContact CB-CG 4.05Å; K71-E73 WeakPolarHBondContact CD-OE1 3.36Å; K71-E73 PolarHBondContact O-N 3.22Å; E73-G75 PolarHBondContact O-N 2.95Å; E73-G75 VanDerWaalsContact O-N 3.14Å; E73-G76 PolarHBondContact O-N 3.42Å
74V82.2Confident87.2Confident155 Ų15552.2 Ų52.294%0.93928%0.275SS*.THydrogen-bonded Turntrans-58.3120.6179.51800000110.1G76V74-G76 VanDerWaalsContact C-N 3.31Å; V74-G76 PolarHBondContact O-N 3.2Å
75G84.7Confident87.5Confident33 Ų3358.5 Ų58.534%0.3430%0.303SS..THydrogen-bonded Turntrans800.818000000115.5E73 V78 K79E73-G75 PolarHBondContact O-N 2.95Å; E73-G75 VanDerWaalsContact O-N 3.14Å; G75-V78 PolarHBondContact O-N 3.45Å; G75-K79 WeakPolarHBondContact O-CG 3.33Å; G75-K79 PolarHBondContact O-N 3.4Å
76G85.9Confident87.8Confident18 Ų1864.2 Ų64.219%0.18633%0.328CS..Hα-helixtrans-58.3-48.9177.500000112.7E73 V74 V78 K79 A80E73-G76 PolarHBondContact O-N 3.42Å; V74-G76 VanDerWaalsContact C-N 3.31Å; V74-G76 PolarHBondContact O-N 3.2Å; G76-V78 PolarHBondContact O-N 2.94Å; G76-K79 PolarHBondContact O-N 3.44Å; G76-A80 PolarHBondContact O-N 3.23Å; G76-A80 VanDerWaalsContact O-N 3.17Å
77L87.3Confident87.9Confident66 Ų6666.8 Ų66.835%0.34634%0.339SS..Hα-helixtrans-61.2-42.6175.1179.859.4000112.2L70 K79 A80 L81 I108L70-L77 HydrophobicContact CD1-CB 4.07Å; L70-L77 HydrophobicContact CD1-CD1 3.9Å; L77-K79 VanDerWaalsContact C-N 3.31Å; L77-K79 PolarHBondContact O-N 2.97Å; L77-A80 PolarHBondContact O-N 3.11Å; L77-L81 HydrophobicContact CD1-CD1 4.03Å; L77-L81 HydrophobicContact CD1-CD2 4.33Å; L77-L81 HydrophobicContact CD1-CG 3.95Å; L77-L81 HydrophobicContact CG-CD1 3.92Å; L77-L81 HydrophobicContact CG-CG 4.23Å; L77-L81 WeakPolarHBondContact O-CG 3.49Å; L77-L81 PolarHBondContact O-N 3.28Å; L77-I108 HydrophobicContact CD1-CD1 3.71Å; L77-I108 HydrophobicContact CD1-CG1 3.83Å; L77-I108 HydrophobicContact CD1-CG2 4.19Å; L77-I108 HydrophobicContact CD2-CD1 4.45Å
78V88.3Confident87.9Confident80 Ų8077.3 Ų77.349%0.48538%0.378SS..Hα-helixtrans-61.6-40.5179.1178.60000111.2G75 G76 L81 R82G75-V78 PolarHBondContact O-N 3.45Å; G76-V78 PolarHBondContact O-N 2.94Å; V78-L81 PolarHBondContact O-N 3.32Å; V78-R82 WeakPolarHBondContact O-CG 3.47Å; V78-R82 PolarHBondContact O-N 3.01Å; V78-R82 VanDerWaalsContact O-N 3.1Å
79K88.2Confident87.9Confident127 Ų12777.7 Ų77.755%0.55238%0.38SS*.Hα-helixtrans-61.7-44.5175.1-71.8173.6-177.2175.50111.6G75 G76 L77 R82G75-K79 WeakPolarHBondContact O-CG 3.33Å; G75-K79 PolarHBondContact O-N 3.4Å; G76-K79 PolarHBondContact O-N 3.44Å; L77-K79 VanDerWaalsContact C-N 3.31Å; L77-K79 PolarHBondContact O-N 2.97Å; K79-R82 PolarHBondContact O-N 3.09Å
80A89Confident87.9Confident2 Ų283.4 Ų83.42%0.01741%0.407CS..Hα-helixtrans-64.5-44.5177.900000112.2F68 L70 G76 L77 R82 L83 L126F68-A80 HydrophobicContact CE2-CB 3.71Å; F68-A80 HydrophobicContact CZ-CB 4.14Å; L70-A80 HydrophobicContact CD1-CB 4.47Å; L70-A80 HydrophobicContact CD2-CB 4.02Å; G76-A80 PolarHBondContact O-N 3.23Å; G76-A80 VanDerWaalsContact O-N 3.17Å; L77-A80 PolarHBondContact O-N 3.11Å; A80-R82 VanDerWaalsContact C-N 3.3Å; A80-R82 PolarHBondContact O-N 3.01Å; A80-L83 VanDerWaalsContact O-CB 3.31Å; A80-L83 WeakPolarHBondContact O-CB 3.27Å; A80-L83 PolarHBondContact O-N 3.12Å; A80-L83 VanDerWaalsContact O-N 3.13Å; A80-L126 HydrophobicContact CB-CD2 4.42Å
81L90.2Very high87.9Confident44 Ų4486.1 Ų86.123%0.2342%0.42CS..Hα-helixtrans-67.8-26.1179.9-64.4179.9000113.6L77 V78 L83 F84 Q85 M91 I94L77-L81 HydrophobicContact CD1-CD1 4.03Å; L77-L81 HydrophobicContact CD1-CD2 4.33Å; L77-L81 HydrophobicContact CD1-CG 3.95Å; L77-L81 HydrophobicContact CG-CD1 3.92Å; L77-L81 HydrophobicContact CG-CG 4.23Å; L77-L81 WeakPolarHBondContact O-CG 3.49Å; L77-L81 PolarHBondContact O-N 3.28Å; V78-L81 PolarHBondContact O-N 3.32Å; L81-L83 PolarHBondContact O-N 2.95Å; L81-F84 HydrophobicContact CD2-CD2 4.35Å; L81-F84 HydrophobicContact CD2-CE2 4.49Å; L81-F84 WeakPolarHBondContact O-CB 3.39Å; L81-F84 PolarHBondContact O-N 3.36Å; L81-Q85 PolarHBondContact O-N 3.18Å; L81-M91 HydrophobicContact CD2-CE 4.35Å; L81-M91 HydrophobicContact CD2-SD 3.81Å; L81-I94 HydrophobicContact CD1-CD1 4.04Å; L81-I94 HydrophobicContact CD2-CD1 3.55Å; L81-I94 HydrophobicContact CG-CD1 4.4Å
82R91.3Very high87.9Confident141 Ų14184.5 Ų84.553%0.53242%0.42SS..Hα-helixtrans-60.3-31.2171.6-78.5175.7-172.7174.32112.6V78 K79 A80 F84 Q85 E86V78-R82 WeakPolarHBondContact O-CG 3.47Å; V78-R82 PolarHBondContact O-N 3.01Å; V78-R82 VanDerWaalsContact O-N 3.1Å; K79-R82 PolarHBondContact O-N 3.09Å; A80-R82 VanDerWaalsContact C-N 3.3Å; A80-R82 PolarHBondContact O-N 3.01Å; R82-F84 VanDerWaalsContact C-N 3.3Å; R82-F84 PolarHBondContact O-N 3.18Å; R82-Q85 WeakPolarHBondContact O-CB 3.17Å; R82-Q85 PolarHBondContact O-N 3.45Å; R82-E86 WeakPolarHBondContact O-CG 3.41Å; R82-E86 PolarHBondContact O-N 3.16Å
83L91Very high88.1Confident6 Ų682.7 Ų82.73%0.03141%0.407CS..Hα-helixtrans-63.7-37.6176.9-60.2176.4000111.9A80 L81 Q85 E86 K87 L122 L125 L126 Q129A80-L83 VanDerWaalsContact O-CB 3.31Å; A80-L83 WeakPolarHBondContact O-CB 3.27Å; A80-L83 PolarHBondContact O-N 3.12Å; A80-L83 VanDerWaalsContact O-N 3.13Å; L81-L83 PolarHBondContact O-N 2.95Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-E86 PolarHBondContact O-N 3.17Å; L83-K87 WeakPolarHBondContact O-CB 3.48Å; L83-K87 WeakPolarHBondContact O-CG 3.06Å; L83-K87 PolarHBondContact O-N 3.32Å; L83-L122 HydrophobicContact CB-CD1 3.76Å; L83-L125 HydrophobicContact CD1-CB 4Å; L83-L125 HydrophobicContact CD2-CB 4.02Å; L83-L125 HydrophobicContact CD2-CD1 4.14Å; L83-L126 HydrophobicContact CD1-CD2 3.86Å; L83-L126 HydrophobicContact CD1-CG 4.13Å; L83-Q129 HydrophobicContact CD1-CG 4.41Å
84F91.9Very high88.2Confident1 Ų180.4 Ų80.40%0.00440%0.398CS..Hα-helixtrans-63.8-42.4175.4-69.7-105.5000110.8V66 F68 L81 R82 R88 V89 M91 V110 L122 L126V66-F84 HydrophobicContact CG1-CE1 4.04Å; V66-F84 HydrophobicContact CG1-CZ 3.75Å; F68-F84 AromaticContact CE1-CE2 3.91Å; F68-F84 HydrophobicContact CE1-CE2 3.91Å; F68-F84 AromaticContact CE1-CZ 3.83Å; F68-F84 HydrophobicContact CE1-CZ 3.83Å; F68-F84 HydrophobicContact CZ-CE2 4.16Å; F68-F84 HydrophobicContact CZ-CZ 4.49Å; L81-F84 HydrophobicContact CD2-CD2 4.35Å; L81-F84 HydrophobicContact CD2-CE2 4.49Å; L81-F84 WeakPolarHBondContact O-CB 3.39Å; L81-F84 PolarHBondContact O-N 3.36Å; R82-F84 VanDerWaalsContact C-N 3.3Å; R82-F84 PolarHBondContact O-N 3.18Å; F84-R88 PolarHBondContact O-N 2.84Å; F84-R88 VanDerWaalsContact O-N 3.1Å; F84-V89 HydrophobicContact CD1-CB 4.23Å; F84-V89 HydrophobicContact CD1-CG1 3.96Å; F84-V89 PolarHBondContact O-N 3.3Å; F84-M91 HydrophobicContact CB-CE 4.42Å; F84-M91 HydrophobicContact CB-CG 4.38Å; F84-M91 HydrophobicContact CB-SD 4.12Å; F84-M91 HydrophobicContact CD1-CG 3.71Å; F84-M91 HydrophobicContact CD1-SD 3.86Å; F84-M91 HydrophobicContact CD2-SD 4.48Å; F84-M91 HydrophobicContact CE1-CG 4.32Å; F84-M91 HydrophobicContact CE1-SD 4.39Å; F84-M91 HydrophobicContact CG-CG 4.25Å; F84-M91 HydrophobicContact CG-SD 3.91Å; F84-V110 HydrophobicContact CD1-CG1 4.28Å; F84-V110 HydrophobicContact CE1-CB 3.98Å; F84-V110 HydrophobicContact CE1-CG1 3.64Å; F84-V110 HydrophobicContact CE1-CG2 4.24Å; F84-V110 HydrophobicContact CZ-CB 4.06Å; F84-V110 HydrophobicContact CZ-CG1 4.14Å; F84-V110 HydrophobicContact CZ-CG2 3.88Å; F84-L122 HydrophobicContact CD1-CD1 4.4Å; F84-L122 HydrophobicContact CD1-CD2 3.64Å; F84-L122 HydrophobicContact CD2-CD1 3.94Å; F84-L122 HydrophobicContact CE1-CD2 3.48Å; F84-L122 VanDerWaalsContact CE1-CD2 3.48Å; F84-L122 HydrophobicContact CE2-CD1 4.13Å; F84-L122 HydrophobicContact CE2-CD2 4.39Å; F84-L122 HydrophobicContact CG-CD1 4.09Å; F84-L122 HydrophobicContact CG-CD2 4.17Å; F84-L122 HydrophobicContact CZ-CD1 4.44Å; F84-L122 HydrophobicContact CZ-CD2 3.88Å; F84-L126 HydrophobicContact CE2-CD1 4.06Å; F84-L126 HydrophobicContact CE2-CD2 4.2Å; F84-L126 HydrophobicContact CZ-CD1 4.03Å
85Q90.8Very high88.3Confident156 Ų15675.5 Ų75.573%0.72937%0.365SS*.Hα-helixtrans-63.4-47.6175.5-174.4-178.62.700112.1L81 R82 L83 K87 R88L81-Q85 PolarHBondContact O-N 3.18Å; R82-Q85 WeakPolarHBondContact O-CB 3.17Å; R82-Q85 PolarHBondContact O-N 3.45Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; Q85-K87 VanDerWaalsContact C-N 3.3Å; Q85-K87 PolarHBondContact O-N 3.05Å; Q85-R88 PolarHBondContact O-N 2.84Å
86E91.2Very high88.4Confident131 Ų13177.1 Ų77.161%0.61237%0.371SS*.Hα-helixtrans-62-37.2179.7-74.4171.9-168.900112.4R82 L83 R88R82-E86 WeakPolarHBondContact O-CG 3.41Å; R82-E86 PolarHBondContact O-N 3.16Å; L83-E86 PolarHBondContact O-N 3.17Å; E86-R88 VanDerWaalsContact C-N 3.35Å
87K89Confident88Confident55 Ų5581.6 Ų81.624%0.23938%0.382CS..THydrogen-bonded Turntrans-89.44.8179.1-64.3-59.4-177.8178.70114.7L83 Q85 V89 E121 L122 L125L83-K87 WeakPolarHBondContact O-CB 3.48Å; L83-K87 WeakPolarHBondContact O-CG 3.06Å; L83-K87 PolarHBondContact O-N 3.32Å; Q85-K87 VanDerWaalsContact C-N 3.3Å; Q85-K87 PolarHBondContact O-N 3.05Å; K87-V89 HydrophobicContact CB-CG2 4.07Å; K87-V89 PolarHBondContact O-N 2.98Å; K87-E121 HydrophobicContact CD-CB 3.99Å; K87-E121 IonicContact NZ-OE2 3.54Å; K87-E121 PolarHBondContact NZ-OE2 2.59Å; K87-L122 HydrophobicContact CB-CB 4.34Å; K87-L122 HydrophobicContact CG-CB 4.33Å; K87-L125 HydrophobicContact CD-CD1 4.29Å; K87-L125 HydrophobicContact CG-CD1 4.16Å
88R87.6Confident87.7Confident227 Ų22787.7 Ų87.786%0.85741%0.406SS*.THydrogen-bonded Turntrans54.236.2179.8-55.4-178.8176.2-173.8-1.6112.6F84 Q85 E86F84-R88 PolarHBondContact O-N 2.84Å; F84-R88 VanDerWaalsContact O-N 3.1Å; Q85-R88 PolarHBondContact O-N 2.84Å; E86-R88 VanDerWaalsContact C-N 3.35Å
89V88.2Confident87.2Confident9 Ų984.4 Ų84.46%0.05539%0.387CS..PPolyproline II helixtrans-87.7119.7175.3176.20000108.5F84 K87 C112 C114 E118 L122F84-V89 HydrophobicContact CD1-CB 4.23Å; F84-V89 HydrophobicContact CD1-CG1 3.96Å; F84-V89 PolarHBondContact O-N 3.3Å; K87-V89 HydrophobicContact CB-CG2 4.07Å; K87-V89 PolarHBondContact O-N 2.98Å; V89-C112 HydrophobicContact CG1-CB 3.67Å; V89-C114 HydrophobicContact CB-CB 4.38Å; V89-C114 HydrophobicContact CG1-CB 4.13Å; V89-C114 HydrophobicContact CG2-CB 4.08Å; V89-E118 HydrophobicContact CG2-CB 4.26Å; V89-L122 HydrophobicContact CB-CD2 4.19Å; V89-L122 HydrophobicContact CG1-CD2 4.06Å; V89-L122 HydrophobicContact CG2-CB 4.28Å; V89-L122 HydrophobicContact CG2-CD2 3.92Å
90H87.9Confident86.3Confident120 Ų12086.2 Ų86.256%0.55639%0.39SS*.EExtended strand (participates in β ladder)trans-80.1123.5179.6-172.6-90.1000109.8C112 E113H90-C112 CarbonylContact O-C 3.58Å; H90-C112 VanDerWaalsContact O-CA 3.3Å; H90-C112 WeakPolarHBondContact O-CA 3.37Å; H90-E113 WeakPolarHBondContact CB-O 3.48Å; H90-E113 PolarHBondContact N-O 3.16Å; H90-E113 PolarHBondContact O-N 3.01Å
91M89Confident85.6Confident72 Ų7294.2 Ų94.236%0.35542%0.42SS..EExtended strand (participates in β ladder)trans-90.1122.9177.2-62-177.9-73.200109.7L81 F84 V110 D111L81-M91 HydrophobicContact CD2-CE 4.35Å; L81-M91 HydrophobicContact CD2-SD 3.81Å; F84-M91 HydrophobicContact CB-CE 4.42Å; F84-M91 HydrophobicContact CB-CG 4.38Å; F84-M91 HydrophobicContact CB-SD 4.12Å; F84-M91 HydrophobicContact CD1-CG 3.71Å; F84-M91 HydrophobicContact CD1-SD 3.86Å; F84-M91 HydrophobicContact CD2-SD 4.48Å; F84-M91 HydrophobicContact CE1-CG 4.32Å; F84-M91 HydrophobicContact CE1-SD 4.39Å; F84-M91 HydrophobicContact CG-CG 4.25Å; F84-M91 HydrophobicContact CG-SD 3.91Å; M91-V110 HydrophobicContact CB-CG1 4.02Å; M91-V110 HydrophobicContact CG-CG1 3.57Å; M91-V110 HydrophobicContact SD-CG1 3.78Å; M91-D111 CarbonylContact C-O 3.55Å; M91-D111 WeakPolarHBondContact CA-O 3.39Å
92V86.8Confident85Confident87 Ų8798.6 Ų98.653%0.52743%0.433SS..EExtended strand (participates in β ladder)trans-89.5-42.3178.1-179.30000110.5D111 E113V92-D111 HydrophobicContact CB-CB 4.16Å; V92-D111 PolarHBondContact N-O 2.69Å; V92-E113 HydrophobicContact CG2-CB 4.15Å
93H84.4Confident84.5Confident85 Ų8598 Ų9839%0.39445%0.451SS..EExtended strand (participates in β ladder)trans-144.7144.9179.4178.972000109.8F109 V110 D111H93-F109 AromaticContact CD2-CD1 3.88Å; H93-F109 AromaticContact CD2-CE1 3.85Å; H93-V110 WeakPolarHBondContact O-CA 3.12Å; H93-D111 HydrophobicContact CB-CB 4Å; H93-D111 PolarHBondContact O-N 2.79Å
94I88.2Confident84.2Confident74 Ų74101 Ų10138%0.37947%0.472SS..EExtended strand (participates in β ladder)trans-137.3133174-178.5167.6000109.6L81 I108 F109 V110L81-I94 HydrophobicContact CD1-CD1 4.04Å; L81-I94 HydrophobicContact CD2-CD1 3.55Å; L81-I94 HydrophobicContact CG-CD1 4.4Å; I94-I108 HydrophobicContact CD1-CG2 4.06Å; I94-I108 HydrophobicContact CG1-CG2 4.09Å; I94-F109 VanDerWaalsContact CA-O 3.31Å; I94-F109 WeakPolarHBondContact CA-O 3.49Å; I94-V110 HydrophobicContact CD1-CG2 4.26Å; I94-V110 HydrophobicContact CG1-CG2 4.17Å
95E83.7Confident83.9Confident51 Ų51101.1 Ų101.124%0.23847%0.473CS..EExtended strand (participates in β ladder)trans-134.8147.7177-175.7156.5-124.900111.1R97 I108 F109 W142E95-R97 VanDerWaalsContact CG-NH1 3.33Å; E95-R97 IonicContact OE1-CZ 3.84Å; E95-R97 IonicContact OE1-NH1 3.73Å; E95-R97 PolarHBondContact OE1-NH1 3.26Å; E95-R97 IonicContact OE1-NH2 2.68Å; E95-R97 PolarHBondContact OE1-NH2 3.27Å; E95-R97 IonicContact OE2-CZ 2.59Å; E95-R97 IonicContact OE2-NH1 2.63Å; E95-R97 IonicContact OE2-NH2 3.7Å; E95-R97 PolarHBondContact OE2-NH2 3.31Å; E95-I108 WeakPolarHBondContact O-CA 3.11Å; E95-F109 HydrophobicContact CB-CB 4.43Å; E95-F109 PolarHBondContact N-O 3.38Å; E95-F109 PolarHBondContact O-N 3.03Å; E95-W142 HydrophobicContact CB-CZ3 4.36Å; E95-W142 HydrophobicContact CG-CE3 4.31Å; E95-W142 HydrophobicContact CG-CZ3 4.13Å; E95-W142 WeakPolarHBondContact O-CH2 3.43Å
96S86.2Confident83.7Confident67 Ų6795.1 Ų95.147%0.46945%0.447SS..EExtended strand (participates in β ladder)trans-123.8143.8174.767.50000111.1E107S96-E107 WeakPolarHBondContact CA-O 3.42Å
97R78.6Confident83.5Confident112 Ų11290.3 Ų90.342%0.42342%0.424SS..EExtended strand (participates in β ladder)trans-141.1150.2176.9-70.4-64.6-174.7-93.3-3.5110.4E95 S99 V106 E107 W142E95-R97 VanDerWaalsContact CG-NH1 3.33Å; E95-R97 IonicContact OE1-CZ 3.84Å; E95-R97 IonicContact OE1-NH1 3.73Å; E95-R97 PolarHBondContact OE1-NH1 3.26Å; E95-R97 IonicContact OE1-NH2 2.68Å; E95-R97 PolarHBondContact OE1-NH2 3.27Å; E95-R97 IonicContact OE2-CZ 2.59Å; E95-R97 IonicContact OE2-NH1 2.63Å; E95-R97 IonicContact OE2-NH2 3.7Å; E95-R97 PolarHBondContact OE2-NH2 3.31Å; R97-S99 PolarHBondContact O-N 3.18Å; R97-V106 WeakPolarHBondContact O-CA 3.41Å; R97-V106 WeakPolarHBondContact O-CG1 3.32Å; R97-E107 PolarHBondContact N-O 3.17Å; R97-E107 PolarHBondContact O-N 3.46Å; R97-W142 HydrophobicContact CB-CE3 4.11Å; R97-W142 HydrophobicContact CB-CH2 4.23Å; R97-W142 HydrophobicContact CB-CZ3 3.63Å; R97-W142 HydrophobicContact CG-CE3 3.55Å; R97-W142 HydrophobicContact CG-CH2 4.43Å; R97-W142 HydrophobicContact CG-CZ3 3.4Å
98K80.8Confident83.5Confident194 Ų19487.8 Ų87.884%0.84341%0.413SS*.EExtended strand (participates in β ladder)trans-62.4132.8169.6-71.6-176.8179.31770108.5R100K98-R100 PolarHBondContact O-N 3.28Å
99S77.2Confident83.5Confident11 Ų1177.6 Ų77.68%0.07738%0.375CS..  trans-64.7136179.2179.10000111.2R97 R101 R102 E105 E107R97-S99 PolarHBondContact O-N 3.18Å; S99-R101 PolarHBondContact O-N 3.34Å; S99-R101 PolarHBondContact OG-N 2.92Å; S99-R101 VanDerWaalsContact OG-N 3.14Å; S99-R102 WeakPolarHBondContact CB-O 3.34Å; S99-E105 WeakPolarHBondContact CB-O 3.35Å; S99-E105 PolarHBondContact N-O 3.22Å; S99-E107 WeakPolarHBondContact CA-OE1 3.46Å; S99-E107 WeakPolarHBondContact CB-OE1 3.45Å; S99-E107 PolarHBondContact OG-OE1 2.72Å
100R70.4Confident83.5Confident166 Ų16677.2 Ų77.263%0.62637%0.373SS*.SBendtrans-69.7-25.3171.9-63.9-175.873.7169.16.2112K98 E144 E146K98-R100 PolarHBondContact O-N 3.28Å; R100-E144 IonicContact CZ-OE2 3.62Å; R100-E144 IonicContact NH1-OE2 3.58Å; R100-E144 PolarHBondContact NH1-OE2 3.42Å; R100-E146 IonicContact NH2-OE1 3.27Å
101R73.1Confident83.4Confident170 Ų17073.5 Ų73.564%0.64236%0.357SS*.SBendtrans-84.9-38.8-173.1-57.3178.3-167.4-1763.3112S99S99-R101 PolarHBondContact O-N 3.34Å; S99-R101 PolarHBondContact OG-N 2.92Å; S99-R101 VanDerWaalsContact OG-N 3.14Å
102R78.3Confident83.3Confident135 Ų13570.2 Ų70.251%0.50934%0.341SS..  trans-145126-174.6-71.4174.5177.7173.53.2111.4S99 S104 E105S99-R102 WeakPolarHBondContact CB-O 3.34Å; R102-S104 PolarHBondContact O-N 3.14Å; R102-S104 VanDerWaalsContact O-N 3.16Å; R102-E105 HydrophobicContact CB-CB 4.15Å; R102-E105 HydrophobicContact CB-CG 4.01Å; R102-E105 VanDerWaalsContact CD-CD 3.45Å; R102-E105 WeakPolarHBondContact CD-OE1 3.4Å; R102-E105 IonicContact CZ-OE1 3.04Å; R102-E105 IonicContact NE-OE1 2.71Å; R102-E105 IonicContact NH1-OE1 3.44Å; R102-E105 PolarHBondContact NH1-OE1 3.46Å; R102-E105 PolarHBondContact O-N 3Å
103S79.7Confident83.4Confident130 Ų13070.1 Ų70.191%0.90934%0.335SS*.THydrogen-bonded Turntrans-63-21.6178.455.90000114.2E105S103-E105 VanDerWaalsContact C-N 3.31Å
104S85.1Confident83.4Confident67 Ų6766.7 Ų66.747%0.46932%0.321SS..THydrogen-bonded Turntrans-85.41176.961.30000114N72 R102N72-S104 WeakPolarHBondContact CB-O 3.39Å; N72-S104 PolarHBondContact N-O 3.49Å; R102-S104 PolarHBondContact O-N 3.14Å; R102-S104 VanDerWaalsContact O-N 3.16Å
105E86.3Confident83.2Confident5 Ų564.5 Ų64.52%0.02332%0.316CS..EExtended strand (participates in β ladder)trans-119.9151.6-174.7-67.4-179.2-169.200112.1L70 K71 S99 R102 S103L70-E105 CarbonylContact O-C 3.53Å; L70-E105 WeakPolarHBondContact O-CA 3.48Å; L70-E105 WeakPolarHBondContact O-CB 3.41Å; K71-E105 HydrophobicContact CG-CG 4.45Å; S99-E105 WeakPolarHBondContact CB-O 3.35Å; S99-E105 PolarHBondContact N-O 3.22Å; R102-E105 HydrophobicContact CB-CB 4.15Å; R102-E105 HydrophobicContact CB-CG 4.01Å; R102-E105 VanDerWaalsContact CD-CD 3.45Å; R102-E105 WeakPolarHBondContact CD-OE1 3.4Å; R102-E105 IonicContact CZ-OE1 3.04Å; R102-E105 IonicContact NE-OE1 2.71Å; R102-E105 IonicContact NH1-OE1 3.44Å; R102-E105 PolarHBondContact NH1-OE1 3.46Å; R102-E105 PolarHBondContact O-N 3Å; S103-E105 VanDerWaalsContact C-N 3.31Å
106V85.5Confident83.1Confident30 Ų3070 Ų7018%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-119.4130.1173.8178.50000106.4S69 L70 N72 R97 I108S69-V106 WeakPolarHBondContact CA-O 3.45Å; L70-V106 PolarHBondContact N-O 3.02Å; L70-V106 PolarHBondContact O-N 3.44Å; N72-V106 HydrophobicContact CB-CG2 4.09Å; R97-V106 WeakPolarHBondContact O-CA 3.41Å; R97-V106 WeakPolarHBondContact O-CG1 3.32Å; V106-I108 HydrophobicContact CG1-CD1 3.75Å
107E87.1Confident83Confident29 Ų2971.1 Ų71.114%0.13634%0.344CS..EExtended strand (participates in β ladder)trans-85.4143.5167.9-74.3165-15900107.1F68 S69 S96 R97 S99 W142F68-E107 CarbonylContact O-C 3.53Å; S69-E107 WeakPolarHBondContact OG-CG 3.45Å; S96-E107 WeakPolarHBondContact CA-O 3.42Å; R97-E107 PolarHBondContact N-O 3.17Å; R97-E107 PolarHBondContact O-N 3.46Å; S99-E107 WeakPolarHBondContact CA-OE1 3.46Å; S99-E107 WeakPolarHBondContact CB-OE1 3.45Å; S99-E107 PolarHBondContact OG-OE1 2.72Å; E107-W142 HydrophobicContact CB-CH2 3.75Å; E107-W142 HydrophobicContact CB-CZ2 3.41Å; E107-W142 VanDerWaalsContact CB-CZ2 3.41Å; E107-W142 WeakPolarHBondContact O-CH2 3.02Å
108I88.9Confident83.4Confident3 Ų369.7 Ų69.72%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-125.1127.4175.6-53.1-64.7000109.2V67 F68 L70 L77 I94 E95 V106 V110 W142V67-I108 CarbonylContact C-O 3.58Å; V67-I108 VanDerWaalsContact CA-O 3.27Å; V67-I108 WeakPolarHBondContact CA-O 3.36Å; F68-I108 HydrophobicContact CD1-CB 4.42Å; F68-I108 HydrophobicContact CD2-CB 3.98Å; F68-I108 HydrophobicContact CD2-CG1 4.27Å; F68-I108 HydrophobicContact CE1-CB 4.03Å; F68-I108 HydrophobicContact CE1-CG2 3.88Å; F68-I108 HydrophobicContact CE2-CB 3.56Å; F68-I108 HydrophobicContact CE2-CG1 3.76Å; F68-I108 HydrophobicContact CE2-CG2 3.93Å; F68-I108 HydrophobicContact CG-CB 4.41Å; F68-I108 HydrophobicContact CZ-CB 3.6Å; F68-I108 HydrophobicContact CZ-CG1 4.2Å; F68-I108 HydrophobicContact CZ-CG2 3.45Å; F68-I108 VanDerWaalsContact CZ-CG2 3.45Å; F68-I108 PolarHBondContact N-O 2.87Å; F68-I108 PolarHBondContact O-N 2.86Å; L70-I108 HydrophobicContact CD1-CD1 4.31Å; L70-I108 HydrophobicContact CD1-CG1 3.61Å; L70-I108 HydrophobicContact CG-CG1 4.08Å; L77-I108 HydrophobicContact CD1-CD1 3.71Å; L77-I108 HydrophobicContact CD1-CG1 3.83Å; L77-I108 HydrophobicContact CD1-CG2 4.19Å; L77-I108 HydrophobicContact CD2-CD1 4.45Å; I94-I108 HydrophobicContact CD1-CG2 4.06Å; I94-I108 HydrophobicContact CG1-CG2 4.09Å; E95-I108 WeakPolarHBondContact O-CA 3.11Å; V106-I108 HydrophobicContact CG1-CD1 3.75Å; I108-V110 HydrophobicContact CG2-CG2 3.88Å; I108-W142 VanDerWaalsContact N-CZ2 3.3Å
109F87.1Confident83.7Confident13 Ų1361 Ų616%0.05730%0.304CS..EExtended strand (participates in β ladder)trans-106.5135.4173.5173.2-91.8000108.6A65 V67 H93 I94 E95 D111 P137 W142A65-F109 HydrophobicContact CB-CE2 4Å; A65-F109 HydrophobicContact CB-CZ 4.14Å; V67-F109 HydrophobicContact CG2-CB 4.22Å; V67-F109 HydrophobicContact CG2-CD2 3.55Å; V67-F109 HydrophobicContact CG2-CE2 4.43Å; V67-F109 HydrophobicContact CG2-CG 4.35Å; H93-F109 AromaticContact CD2-CD1 3.88Å; H93-F109 AromaticContact CD2-CE1 3.85Å; I94-F109 VanDerWaalsContact CA-O 3.31Å; I94-F109 WeakPolarHBondContact CA-O 3.49Å; E95-F109 HydrophobicContact CB-CB 4.43Å; E95-F109 PolarHBondContact N-O 3.38Å; E95-F109 PolarHBondContact O-N 3.03Å; F109-D111 HydrophobicContact CE1-CB 4.38Å; F109-D111 VanDerWaalsContact CE1-CG 3.42Å; F109-D111 WeakPolarHBondContact CE1-OD1 3.03Å; F109-D111 WeakPolarHBondContact CE1-OD2 3.38Å; F109-D111 WeakPolarHBondContact CZ-OD1 3.39Å; F109-P137 HydrophobicContact CE2-CG 4.48Å; F109-W142 HydrophobicContact CB-CD2 3.51Å; F109-W142 HydrophobicContact CB-CE3 3.76Å; F109-W142 HydrophobicContact CB-CG 3.86Å; F109-W142 HydrophobicContact CB-CH2 3.79Å; F109-W142 HydrophobicContact CB-CZ2 3.69Å; F109-W142 HydrophobicContact CB-CZ3 3.88Å; F109-W142 HydrophobicContact CD2-CB 4.31Å; F109-W142 AromaticContact CD2-CD1 3.85Å; F109-W142 HydrophobicContact CD2-CD2 4.47Å; F109-W142 AromaticContact CD2-CG 3.93Å; F109-W142 HydrophobicContact CD2-CG 3.93Å; F109-W142 HydrophobicContact CG-CD2 4.3Å; F109-W142 HydrophobicContact CG-CG 4.15Å
110V88.8Confident84.1Confident0 Ų065 Ų650%032%0.324CS..EExtended strand (participates in β ladder)trans-138.2118.1177.9-166.90000110.2A65 V66 F68 F84 M91 H93 I94 I108 C112A65-V110 WeakPolarHBondContact CA-O 3.35Å; V66-V110 HydrophobicContact CG1-CB 4.01Å; V66-V110 PolarHBondContact N-O 3.04Å; V66-V110 PolarHBondContact O-N 2.82Å; F68-V110 HydrophobicContact CE1-CG2 3.71Å; F68-V110 HydrophobicContact CZ-CG2 4.27Å; F84-V110 HydrophobicContact CD1-CG1 4.28Å; F84-V110 HydrophobicContact CE1-CB 3.98Å; F84-V110 HydrophobicContact CE1-CG1 3.64Å; F84-V110 HydrophobicContact CE1-CG2 4.24Å; F84-V110 HydrophobicContact CZ-CB 4.06Å; F84-V110 HydrophobicContact CZ-CG1 4.14Å; F84-V110 HydrophobicContact CZ-CG2 3.88Å; M91-V110 HydrophobicContact CB-CG1 4.02Å; M91-V110 HydrophobicContact CG-CG1 3.57Å; M91-V110 HydrophobicContact SD-CG1 3.78Å; H93-V110 WeakPolarHBondContact O-CA 3.12Å; I94-V110 HydrophobicContact CD1-CG2 4.26Å; I94-V110 HydrophobicContact CG1-CG2 4.17Å; I108-V110 HydrophobicContact CG2-CG2 3.88Å; V110-C112 PolarHBondContact O-SG 2.92Å
111D86Confident85Confident43 Ų4361.4 Ų61.423%0.2332%0.315CS..EExtended strand (participates in β ladder)trans-81.6131.4164.3-75.5-34.9000109.7M91 V92 H93 F109M91-D111 CarbonylContact C-O 3.55Å; M91-D111 WeakPolarHBondContact CA-O 3.39Å; V92-D111 HydrophobicContact CB-CB 4.16Å; V92-D111 PolarHBondContact N-O 2.69Å; H93-D111 HydrophobicContact CB-CB 4Å; H93-D111 PolarHBondContact O-N 2.79Å; F109-D111 HydrophobicContact CE1-CB 4.38Å; F109-D111 VanDerWaalsContact CE1-CG 3.42Å; F109-D111 WeakPolarHBondContact CE1-OD1 3.03Å; F109-D111 WeakPolarHBondContact CE1-OD2 3.38Å; F109-D111 WeakPolarHBondContact CZ-OD1 3.39Å
112C88Confident85.8Confident2 Ų253.3 Ų53.31%0.01428%0.284CS..EExtended strand (participates in β ladder)trans-129.1144.7-169.7-55.80000111.4T64 V89 H90 V110 F119T64-C112 PolarHBondContact N-O 3.39Å; T64-C112 WeakPolarHBondContact O-CA 3.31Å; T64-C112 WeakPolarHBondContact O-CB 3.39Å; T64-C112 PolarHBondContact O-N 2.94Å; T64-C112 VanDerWaalsContact O-O 3.14Å; V89-C112 HydrophobicContact CG1-CB 3.67Å; H90-C112 CarbonylContact O-C 3.58Å; H90-C112 VanDerWaalsContact O-CA 3.3Å; H90-C112 WeakPolarHBondContact O-CA 3.37Å; V110-C112 PolarHBondContact O-SG 2.92Å; C112-F119 HydrophobicContact CB-CE2 4.45Å
113E87.4Confident86.2Confident86 Ų8647 Ų4740%0.40226%0.261SS..EExtended strand (participates in β ladder)trans-119.6113.4166.7-170.7174.2-17200109S61 H90 V92S61-E113 PolarHBondContact OG-OE1 3.13Å; H90-E113 WeakPolarHBondContact CB-O 3.48Å; H90-E113 PolarHBondContact N-O 3.16Å; H90-E113 PolarHBondContact O-N 3.01Å; V92-E113 HydrophobicContact CG2-CB 4.15Å
114C84.9Confident86.5Confident13 Ų1346.2 Ų46.29%0.08824%0.242CC..EExtended strand (participates in β ladder)trans-164.5170.5178.958.70000111.8V89 E118V89-C114 HydrophobicContact CB-CB 4.38Å; V89-C114 HydrophobicContact CG1-CB 4.13Å; V89-C114 HydrophobicContact CG2-CB 4.08Å; C114-E118 HydrophobicContact CB-CB 4.33Å
115G83.2Confident86.6Confident28 Ų2845.8 Ų45.829%0.28924%0.235SC..  trans-70160168.500000112.2T117 E118 F119G115-T117 PolarHBondContact O-N 3.39Å; G115-E118 VanDerWaalsContact C-OE2 3.26Å; G115-E118 WeakPolarHBondContact CA-OE2 3.06Å; G115-E118 PolarHBondContact N-OE2 2.91Å; G115-E118 PolarHBondContact O-N 3.04Å; G115-F119 PolarHBondContact O-N 3.48Å; G115-F119 VanDerWaalsContact O-N 3.11Å
116K81.7Confident86.7Confident165 Ų16545.5 Ų45.572%0.71723%0.233SC*.Hα-helixtrans-60.8-32.4179.4-71.2177.9179.7168.80112.5N120K116-N120 WeakPolarHBondContact O-CB 3.38Å; K116-N120 VanDerWaalsContact O-CG 3.24Å; K116-N120 PolarHBondContact O-N 3.36Å; K116-N120 VanDerWaalsContact O-N 3.08Å; K116-N120 PolarHBondContact O-ND2 2.96Å
117T85.4Confident86.6Confident92 Ų9249.5 Ų49.556%0.56425%0.248SC*.Hα-helixtrans-69.9-51.1-178-50.60000110.8G115 F119 N120 E121G115-T117 PolarHBondContact O-N 3.39Å; T117-F119 VanDerWaalsContact C-N 3.32Å; T117-F119 PolarHBondContact O-N 3.18Å; T117-N120 PolarHBondContact O-N 3.32Å; T117-E121 WeakPolarHBondContact O-CG 3.48Å; T117-E121 PolarHBondContact O-N 2.8Å
118E86.9Confident86.4Confident82 Ų8256.6 Ų56.638%0.38328%0.279SS..Hα-helixtrans-60.8-42.6178.6-62.883.7174.500111V89 C114 G115 E121 L122V89-E118 HydrophobicContact CG2-CB 4.26Å; C114-E118 HydrophobicContact CB-CB 4.33Å; G115-E118 VanDerWaalsContact C-OE2 3.26Å; G115-E118 WeakPolarHBondContact CA-OE2 3.06Å; G115-E118 PolarHBondContact N-OE2 2.91Å; G115-E118 PolarHBondContact O-N 3.04Å; E118-E121 PolarHBondContact O-N 2.93Å; E118-L122 WeakPolarHBondContact O-CB 3.27Å; E118-L122 PolarHBondContact O-N 2.68Å
119F87Confident85.6Confident10 Ų1061.3 Ų61.34%0.04430%0.301CS..Hα-helixtrans-60.4-50.1176.3-166.1-110.3000111.5T64 V66 C112 G115 T117 E121 L122 I123 L135T64-F119 HydrophobicContact CG2-CD1 4.39Å; T64-F119 HydrophobicContact CG2-CE1 4.43Å; T64-F119 HydrophobicContact CG2-CG 4.44Å; T64-F119 VanDerWaalsContact OG1-CD2 3.31Å; T64-F119 WeakPolarHBondContact OG1-CD2 3.45Å; T64-F119 WeakPolarHBondContact OG1-CE2 3.4Å; V66-F119 HydrophobicContact CB-CE2 4.44Å; V66-F119 HydrophobicContact CB-CZ 4.29Å; C112-F119 HydrophobicContact CB-CE2 4.45Å; G115-F119 PolarHBondContact O-N 3.48Å; G115-F119 VanDerWaalsContact O-N 3.11Å; T117-F119 VanDerWaalsContact C-N 3.32Å; T117-F119 PolarHBondContact O-N 3.18Å; F119-E121 VanDerWaalsContact C-N 3.31Å; F119-E121 PolarHBondContact O-N 3.43Å; F119-L122 WeakPolarHBondContact O-CB 3.33Å; F119-L122 PolarHBondContact O-N 3.1Å; F119-L122 VanDerWaalsContact O-N 3.16Å; F119-I123 HydrophobicContact CD1-CG1 4.12Å; F119-I123 HydrophobicContact CE1-CD1 4.2Å; F119-I123 HydrophobicContact CE1-CG1 3.91Å; F119-I123 HydrophobicContact CE2-CD1 4.29Å; F119-I123 HydrophobicContact CZ-CD1 3.96Å; F119-I123 HydrophobicContact CZ-CG1 4.18Å; F119-I123 VanDerWaalsContact O-CG1 3.32Å; F119-I123 WeakPolarHBondContact O-CG1 3.29Å; F119-I123 PolarHBondContact O-N 2.9Å; F119-L135 HydrophobicContact CE1-CD2 4.32Å; F119-L135 HydrophobicContact CZ-CD2 4.44Å
120N85.1Confident85.3Confident96 Ų9661.5 Ų61.551%0.51330%0.303SS..Hα-helixtrans-60.9-39.5-179.7-77.5-34.4000112.4K116 T117 I123 Q124K116-N120 WeakPolarHBondContact O-CB 3.38Å; K116-N120 VanDerWaalsContact O-CG 3.24Å; K116-N120 PolarHBondContact O-N 3.36Å; K116-N120 VanDerWaalsContact O-N 3.08Å; K116-N120 PolarHBondContact O-ND2 2.96Å; T117-N120 PolarHBondContact O-N 3.32Å; N120-I123 PolarHBondContact O-N 2.8Å; N120-Q124 WeakPolarHBondContact O-CG 3.36Å; N120-Q124 PolarHBondContact O-N 2.63Å; N120-Q124 VanDerWaalsContact O-N 3.13Å
121E88.6Confident84.5Confident90 Ų9064.9 Ų64.942%0.42132%0.324SS..Hα-helixtrans-65.3-41.4175.1-70.6-176-174.300112.6K87 T117 E118 F119 I123 Q124 L125K87-E121 HydrophobicContact CD-CB 3.99Å; K87-E121 IonicContact NZ-OE2 3.54Å; K87-E121 PolarHBondContact NZ-OE2 2.59Å; T117-E121 WeakPolarHBondContact O-CG 3.48Å; T117-E121 PolarHBondContact O-N 2.8Å; E118-E121 PolarHBondContact O-N 2.93Å; F119-E121 VanDerWaalsContact C-N 3.31Å; F119-E121 PolarHBondContact O-N 3.43Å; E121-I123 VanDerWaalsContact C-N 3.35Å; E121-Q124 PolarHBondContact O-N 2.98Å; E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 3.41Å
122L90.3Very high83.9Confident0 Ų064.6 Ų64.60%032%0.322CS..Hα-helixtrans-58.3-47.4174.3170.568.2000111L83 F84 K87 V89 E118 F119 Q124 L125 L126L83-L122 HydrophobicContact CB-CD1 3.76Å; F84-L122 HydrophobicContact CD1-CD1 4.4Å; F84-L122 HydrophobicContact CD1-CD2 3.64Å; F84-L122 HydrophobicContact CD2-CD1 3.94Å; F84-L122 HydrophobicContact CE1-CD2 3.48Å; F84-L122 VanDerWaalsContact CE1-CD2 3.48Å; F84-L122 HydrophobicContact CE2-CD1 4.13Å; F84-L122 HydrophobicContact CE2-CD2 4.39Å; F84-L122 HydrophobicContact CG-CD1 4.09Å; F84-L122 HydrophobicContact CG-CD2 4.17Å; F84-L122 HydrophobicContact CZ-CD1 4.44Å; F84-L122 HydrophobicContact CZ-CD2 3.88Å; K87-L122 HydrophobicContact CB-CB 4.34Å; K87-L122 HydrophobicContact CG-CB 4.33Å; V89-L122 HydrophobicContact CB-CD2 4.19Å; V89-L122 HydrophobicContact CG1-CD2 4.06Å; V89-L122 HydrophobicContact CG2-CB 4.28Å; V89-L122 HydrophobicContact CG2-CD2 3.92Å; E118-L122 WeakPolarHBondContact O-CB 3.27Å; E118-L122 PolarHBondContact O-N 2.68Å; F119-L122 WeakPolarHBondContact O-CB 3.33Å; F119-L122 PolarHBondContact O-N 3.1Å; F119-L122 VanDerWaalsContact O-N 3.16Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.39Å; L122-L125 PolarHBondContact O-N 2.69Å; L122-L125 VanDerWaalsContact O-N 3.15Å; L122-L126 HydrophobicContact CD1-CD1 3.97Å; L122-L126 HydrophobicContact CD1-CG 4.1Å; L122-L126 HydrophobicContact CD2-CD1 4.3Å; L122-L126 HydrophobicContact CG-CD1 3.82Å; L122-L126 HydrophobicContact CG-CG 4.35Å; L122-L126 PolarHBondContact O-N 3.24Å
123I86.3Confident83.4Confident4 Ų466 Ų662%0.02133%0.33CS..Hα-helixtrans-61.9-40.8-179.4-65.8-44000112V66 F119 N120 E121 L125 L126 K127 V133 L135V66-I123 HydrophobicContact CB-CD1 4.05Å; V66-I123 HydrophobicContact CG2-CD1 3.53Å; F119-I123 HydrophobicContact CD1-CG1 4.12Å; F119-I123 HydrophobicContact CE1-CD1 4.2Å; F119-I123 HydrophobicContact CE1-CG1 3.91Å; F119-I123 HydrophobicContact CE2-CD1 4.29Å; F119-I123 HydrophobicContact CZ-CD1 3.96Å; F119-I123 HydrophobicContact CZ-CG1 4.18Å; F119-I123 VanDerWaalsContact O-CG1 3.32Å; F119-I123 WeakPolarHBondContact O-CG1 3.29Å; F119-I123 PolarHBondContact O-N 2.9Å; N120-I123 PolarHBondContact O-N 2.8Å; E121-I123 VanDerWaalsContact C-N 3.35Å; I123-L125 VanDerWaalsContact C-N 3.29Å; I123-L125 PolarHBondContact O-N 2.61Å; I123-L126 HydrophobicContact CD1-CD1 4.22Å; I123-L126 PolarHBondContact O-N 2.76Å; I123-K127 HydrophobicContact CG2-CD 4.35Å; I123-K127 WeakPolarHBondContact O-CG 3.35Å; I123-K127 PolarHBondContact O-N 2.79Å; I123-V133 HydrophobicContact CD1-CG1 4.25Å; I123-V133 HydrophobicContact CG2-CG1 4.34Å; I123-L135 HydrophobicContact CB-CD2 4.18Å; I123-L135 HydrophobicContact CD1-CD2 3.2Å; I123-L135 HydrophobicContact CG1-CD1 4.37Å; I123-L135 HydrophobicContact CG1-CD2 3.37Å; I123-L135 HydrophobicContact CG1-CG 4.5Å; I123-L135 HydrophobicContact CG2-CD1 3.98Å; I123-L135 HydrophobicContact CG2-CD2 3.71Å; I123-L135 HydrophobicContact CG2-CG 4.35Å
124Q86.1Confident82.9Confident112 Ų11264.1 Ų64.152%0.52333%0.325SS..Hα-helixtrans-59.8-42.7176.2-70.2-65-19.200111N120 E121 L122 F128N120-Q124 WeakPolarHBondContact O-CG 3.36Å; N120-Q124 PolarHBondContact O-N 2.63Å; N120-Q124 VanDerWaalsContact O-N 3.13Å; E121-Q124 PolarHBondContact O-N 2.98Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.39Å; Q124-F128 WeakPolarHBondContact O-CD2 3.45Å
125L88.6Confident82.5Confident58 Ų5866.9 Ų66.930%0.30434%0.338SS..Hα-helixtrans-69.9-41.2177.9-66.5174.5000112.8L83 K87 E121 L122 I123 K127 F128L83-L125 HydrophobicContact CD1-CB 4Å; L83-L125 HydrophobicContact CD2-CB 4.02Å; L83-L125 HydrophobicContact CD2-CD1 4.14Å; K87-L125 HydrophobicContact CD-CD1 4.29Å; K87-L125 HydrophobicContact CG-CD1 4.16Å; E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 3.41Å; L122-L125 PolarHBondContact O-N 2.69Å; L122-L125 VanDerWaalsContact O-N 3.15Å; I123-L125 VanDerWaalsContact C-N 3.29Å; I123-L125 PolarHBondContact O-N 2.61Å; L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 2.93Å; L125-F128 PolarHBondContact O-N 2.86Å; L125-F128 VanDerWaalsContact O-N 3.13Å
126L87.1Confident81.7Confident0 Ų069.9 Ų69.90%035%0.348CS..Hα-helixtrans-61.1-38.5177.4-79.7170.6000111.8V66 F68 A80 L83 F84 L122 I123 F128 Q129 T130 V133V66-L126 HydrophobicContact CG1-CD1 4.46Å; V66-L126 HydrophobicContact CG2-CD1 4.13Å; F68-L126 HydrophobicContact CD1-CD1 4.24Å; F68-L126 HydrophobicContact CD1-CD2 4.29Å; F68-L126 HydrophobicContact CD2-CD2 4.49Å; F68-L126 HydrophobicContact CE1-CD2 4.37Å; F68-L126 HydrophobicContact CG-CD2 4.34Å; F68-L126 HydrophobicContact CZ-CD2 4.49Å; A80-L126 HydrophobicContact CB-CD2 4.42Å; L83-L126 HydrophobicContact CD1-CD2 3.86Å; L83-L126 HydrophobicContact CD1-CG 4.13Å; F84-L126 HydrophobicContact CE2-CD1 4.06Å; F84-L126 HydrophobicContact CE2-CD2 4.2Å; F84-L126 HydrophobicContact CZ-CD1 4.03Å; L122-L126 HydrophobicContact CD1-CD1 3.97Å; L122-L126 HydrophobicContact CD1-CG 4.1Å; L122-L126 HydrophobicContact CD2-CD1 4.3Å; L122-L126 HydrophobicContact CG-CD1 3.82Å; L122-L126 HydrophobicContact CG-CG 4.35Å; L122-L126 PolarHBondContact O-N 3.24Å; I123-L126 HydrophobicContact CD1-CD1 4.22Å; I123-L126 PolarHBondContact O-N 2.76Å; L126-F128 PolarHBondContact O-N 2.89Å; L126-F128 VanDerWaalsContact O-N 3.16Å; L126-Q129 PolarHBondContact O-N 3.38Å; L126-T130 HydrophobicContact CD2-CG2 4Å; L126-T130 WeakPolarHBondContact O-CB 3.31Å; L126-T130 WeakPolarHBondContact O-CG2 3.48Å; L126-T130 PolarHBondContact O-N 2.86Å; L126-T130 PolarHBondContact O-OG1 3.43Å; L126-V133 HydrophobicContact CB-CG2 4.18Å
127K84.3Confident80.7Confident114 Ų11462.3 Ų62.350%0.49632%0.316SS..Hα-helixtrans-60.2-24.1176.8-76.6177.3178.1-178.60113.8I123 L125 V133I123-K127 HydrophobicContact CG2-CD 4.35Å; I123-K127 WeakPolarHBondContact O-CG 3.35Å; I123-K127 PolarHBondContact O-N 2.79Å; L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 2.93Å; K127-V133 HydrophobicContact CG-CB 4.14Å; K127-V133 HydrophobicContact CG-CG2 3.88Å
128F82Confident79.1Confident177 Ų17761.9 Ų61.978%0.77631%0.314SS*.Hα-helixtrans-82.8-23.2174.8-74.7-76.2000113.6Q124 L125 L126Q124-F128 WeakPolarHBondContact O-CD2 3.45Å; L125-F128 PolarHBondContact O-N 2.86Å; L125-F128 VanDerWaalsContact O-N 3.13Å; L126-F128 PolarHBondContact O-N 2.89Å; L126-F128 VanDerWaalsContact O-N 3.16Å
129Q73.4Confident77.4Confident102 Ų10265.3 Ų65.348%0.47733%0.33SS..Hα-helixtrans-107.8-10.7-174.1-66-167.64.800114.2L83 L126L83-Q129 HydrophobicContact CD1-CG 4.41Å; L126-Q129 PolarHBondContact O-N 3.38Å
130T79.3Confident75.5Confident17 Ų1768.9 Ų68.910%0.10435%0.35CS..  trans-129.7152.4-170.769.70000110.6F68 S69 L70 L126 V133F68-T130 HydrophobicContact CB-CG2 4.03Å; F68-T130 HydrophobicContact CD2-CG2 3.69Å; F68-T130 HydrophobicContact CE2-CG2 4.49Å; F68-T130 HydrophobicContact CG-CG2 4.12Å; S69-T130 WeakPolarHBondContact O-CA 3.47Å; S69-T130 WeakPolarHBondContact O-CB 3.38Å; L70-T130 HydrophobicContact CD2-CG2 3.52Å; L126-T130 HydrophobicContact CD2-CG2 4Å; L126-T130 WeakPolarHBondContact O-CB 3.31Å; L126-T130 WeakPolarHBondContact O-CG2 3.48Å; L126-T130 PolarHBondContact O-N 2.86Å; L126-T130 PolarHBondContact O-OG1 3.43Å; T130-V133 WeakPolarHBondContact OG1-CG2 3.43Å
131T72.3Confident73.6Confident71 Ų7167.1 Ų67.144%0.43634%0.34SS..SBendtrans-77.9-34.6-171.5-41.60000111.9S69S69-T131 PolarHBondContact O-N 3.49Å
132I74.6Confident71.4Confident37 Ų3764.1 Ų64.119%0.1933%0.325CS..  trans-140.1138.3-176.8-66.1148000106.2F68 S69F68-I132 CarbonylContact C-O 3.51Å; F68-I132 WeakPolarHBondContact CA-O 3.35Å; F68-I132 WeakPolarHBondContact CB-O 3.45Å; S69-I132 PolarHBondContact N-O 3.15Å
133V76.8Confident69.1Low31 Ų3168 Ų6819%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-133.3117.5171-176.10000108.4V66 V67 F68 I123 L126 K127 T130 L135V66-V133 HydrophobicContact CG2-CG1 3.78Å; V67-V133 CarbonylContact O-C 3.57Å; V67-V133 VanDerWaalsContact O-CA 3.29Å; V67-V133 WeakPolarHBondContact O-CA 3.44Å; F68-V133 HydrophobicContact CB-CG2 4.28Å; I123-V133 HydrophobicContact CD1-CG1 4.25Å; I123-V133 HydrophobicContact CG2-CG1 4.34Å; L126-V133 HydrophobicContact CB-CG2 4.18Å; K127-V133 HydrophobicContact CG-CB 4.14Å; K127-V133 HydrophobicContact CG-CG2 3.88Å; T130-V133 WeakPolarHBondContact OG1-CG2 3.43Å; V133-L135 HydrophobicContact CG1-CD2 3.88Å
134T77.7Confident67.1Low47 Ų4772.8 Ų72.829%0.28837%0.371SS..EExtended strand (participates in β ladder)trans-110.6130.6174.2-52.40000108.7V67 P137V67-T134 PolarHBondContact N-O 3.21Å; V67-T134 PolarHBondContact O-N 3.4Å; T134-P137 HydrophobicContact CG2-CB 4.01Å
135L76.5Confident65.3Low71 Ų7169.7 Ų69.737%0.37236%0.357SS..EExtended strand (participates in β ladder)trans-105136.8-175.9-54.4-177.1000110.5V66 F119 I123 V133 P137V66-L135 HydrophobicContact CG2-CD2 4.19Å; F119-L135 HydrophobicContact CE1-CD2 4.32Å; F119-L135 HydrophobicContact CZ-CD2 4.44Å; I123-L135 HydrophobicContact CB-CD2 4.18Å; I123-L135 HydrophobicContact CD1-CD2 3.2Å; I123-L135 HydrophobicContact CG1-CD1 4.37Å; I123-L135 HydrophobicContact CG1-CD2 3.37Å; I123-L135 HydrophobicContact CG1-CG 4.5Å; I123-L135 HydrophobicContact CG2-CD1 3.98Å; I123-L135 HydrophobicContact CG2-CD2 3.71Å; I123-L135 HydrophobicContact CG2-CG 4.35Å; V133-L135 HydrophobicContact CG1-CD2 3.88Å; L135-P137 VanDerWaalsContact O-N 3.13Å
136N66.2Low63.6Low91 Ų9169.8 Ų69.849%0.48736%0.355SS..SBendtrans38.951.5-176.6-58.4-33.6000111.1T64 A65T64-N136 WeakPolarHBondContact CA-OD1 3.4Å; A65-N136 PolarHBondContact N-OD1 3.41Å; A65-N136 WeakPolarHBondContact O-CA 3.28Å; A65-N136 PolarHBondContact O-N 3.38Å; A65-N136 PolarHBondContact O-OD1 2.97Å
137P59.6Low62Low7 Ų777.5 Ų77.55%0.04539%0.391CS..  trans-55.8140.4169.726.5-30.5000106.8V67 F109 T134 L135 E139 I141V67-P137 HydrophobicContact CB-CG 4.25Å; V67-P137 HydrophobicContact CG2-CB 4.46Å; V67-P137 HydrophobicContact CG2-CG 3.52Å; F109-P137 HydrophobicContact CE2-CG 4.48Å; T134-P137 HydrophobicContact CG2-CB 4.01Å; L135-P137 VanDerWaalsContact O-N 3.13Å; P137-E139 PolarHBondContact O-N 3.13Å; P137-I141 HydrophobicContact CB-CB 3.69Å; P137-I141 HydrophobicContact CB-CD1 3.46Å; P137-I141 VanDerWaalsContact CB-CD1 3.46Å; P137-I141 HydrophobicContact CB-CG1 3.59Å; P137-I141 HydrophobicContact CB-CG2 4.13Å
138P52.9Low61.3Low82 Ų8273.8 Ų73.853%0.53238%0.377SS..  trans-43.8140.71675.9-18.2000108.6N140 I141P138-N140 HydrophobicContact CB-CB 4.37Å; P138-N140 PolarHBondContact O-N 3.38Å; P138-I141 HydrophobicContact CB-CG1 4.45Å; P138-I141 HydrophobicContact CG-CD1 3.94Å; P138-I141 HydrophobicContact CG-CG1 3.64Å; P138-I141 PolarHBondContact O-N 3.13Å
139E49.8Very low60.7Low155 Ų15573.9 Ų73.972%0.72438%0.38SS*.G310 helixtrans-48.6-21.2179.4-69-179.4166.500111.5P137 T143P137-E139 PolarHBondContact O-N 3.13Å; E139-T143 PolarHBondContact O-OG1 3.17Å
140N47Very low60.9Low85 Ų8577.1 Ų77.146%0.45540%0.4SS..G310 helixtrans-73.3-17.8176.9-5213.3000116.5P138 W142 T143 E144P138-N140 HydrophobicContact CB-CB 4.37Å; P138-N140 PolarHBondContact O-N 3.38Å; N140-W142 PolarHBondContact O-N 3.36Å; N140-T143 WeakPolarHBondContact CA-OG1 3.46Å; N140-T143 CarbonylContact O-C 3.58Å; N140-T143 PolarHBondContact O-N 3.34Å; N140-E144 PolarHBondContact O-N 3.31Å
141I45.3Very low61.3Low59 Ų5977.6 Ų77.630%0.30340%0.403SS..G310 helixtrans-68.2-26.4-177.8-63.2-152.1000112.3P137 P138 E144P137-I141 HydrophobicContact CB-CB 3.69Å; P137-I141 HydrophobicContact CB-CD1 3.46Å; P137-I141 VanDerWaalsContact CB-CD1 3.46Å; P137-I141 HydrophobicContact CB-CG1 3.59Å; P137-I141 HydrophobicContact CB-CG2 4.13Å; P138-I141 HydrophobicContact CB-CG1 4.45Å; P138-I141 HydrophobicContact CG-CD1 3.94Å; P138-I141 HydrophobicContact CG-CG1 3.64Å; P138-I141 PolarHBondContact O-N 3.13Å; I141-E144 WeakPolarHBondContact O-CG 3.4Å
142W42.6Very low62.1Low26 Ų2676.1 Ų76.110%0.09840%0.395CS..THydrogen-bonded Turntrans-100.9-19.1175.5-8767.4000113.9V67 E95 R97 E107 I108 F109 N140 E144V67-W142 HydrophobicContact CG1-CZ2 3.96Å; V67-W142 HydrophobicContact CG2-CG 4.41Å; V67-W142 HydrophobicContact CG2-CZ2 4.39Å; E95-W142 HydrophobicContact CB-CZ3 4.36Å; E95-W142 HydrophobicContact CG-CE3 4.31Å; E95-W142 HydrophobicContact CG-CZ3 4.13Å; E95-W142 WeakPolarHBondContact O-CH2 3.43Å; R97-W142 HydrophobicContact CB-CE3 4.11Å; R97-W142 HydrophobicContact CB-CH2 4.23Å; R97-W142 HydrophobicContact CB-CZ3 3.63Å; R97-W142 HydrophobicContact CG-CE3 3.55Å; R97-W142 HydrophobicContact CG-CH2 4.43Å; R97-W142 HydrophobicContact CG-CZ3 3.4Å; E107-W142 HydrophobicContact CB-CH2 3.75Å; E107-W142 HydrophobicContact CB-CZ2 3.41Å; E107-W142 VanDerWaalsContact CB-CZ2 3.41Å; E107-W142 WeakPolarHBondContact O-CH2 3.02Å; I108-W142 VanDerWaalsContact N-CZ2 3.3Å; F109-W142 HydrophobicContact CB-CD2 3.51Å; F109-W142 HydrophobicContact CB-CE3 3.76Å; F109-W142 HydrophobicContact CB-CG 3.86Å; F109-W142 HydrophobicContact CB-CH2 3.79Å; F109-W142 HydrophobicContact CB-CZ2 3.69Å; F109-W142 HydrophobicContact CB-CZ3 3.88Å; F109-W142 HydrophobicContact CD2-CB 4.31Å; F109-W142 AromaticContact CD2-CD1 3.85Å; F109-W142 HydrophobicContact CD2-CD2 4.47Å; F109-W142 AromaticContact CD2-CG 3.93Å; F109-W142 HydrophobicContact CD2-CG 3.93Å; F109-W142 HydrophobicContact CG-CD2 4.3Å; F109-W142 HydrophobicContact CG-CG 4.15Å; N140-W142 PolarHBondContact O-N 3.36Å; W142-E144 VanDerWaalsContact C-N 3.26Å
143T43.6Very low62.8Low82 Ų8278.5 Ų78.550%0.50340%0.401SS..SBendtrans-97.442.2164.4510000109.5E139 N140 E145E139-T143 PolarHBondContact O-OG1 3.17Å; N140-T143 WeakPolarHBondContact CA-OG1 3.46Å; N140-T143 CarbonylContact O-C 3.58Å; N140-T143 PolarHBondContact O-N 3.34Å; T143-E145 PolarHBondContact O-N 2.87Å
144E43.9Very low63.6Low104 Ų10477.6 Ų77.649%0.48640%0.395SS..  trans-61.269.1169.7-89.3-177.8-178.600109.1R100 N140 I141 W142 E146R100-E144 IonicContact CZ-OE2 3.62Å; R100-E144 IonicContact NH1-OE2 3.58Å; R100-E144 PolarHBondContact NH1-OE2 3.42Å; N140-E144 PolarHBondContact O-N 3.31Å; I141-E144 WeakPolarHBondContact O-CG 3.4Å; W142-E144 VanDerWaalsContact C-N 3.26Å; E144-E146 PolarHBondContact O-N 3.43Å; E144-E146 VanDerWaalsContact O-N 3.11Å
145E48.1Very low64.3Low48 Ų4875.4 Ų75.422%0.22438%0.382CS..  -45.9107.3129.8-57.6-161.214700103.9T143 E147 W153 R156T143-E145 PolarHBondContact O-N 2.87Å; E145-E147 VanDerWaalsContact C-N 3.26Å; E145-E147 PolarHBondContact O-N 3.22Å; E145-W153 PolarHBondContact OE2-NE1 3.2Å; E145-R156 HydrophobicContact CG-CG 4.44Å; E145-R156 WeakPolarHBondContact OE1-CB 3.43Å; E145-R156 WeakPolarHBondContact OE1-CD 3.4Å; E145-R156 WeakPolarHBondContact OE1-CG 3.38Å; E145-R156 IonicContact OE1-NE 3.93Å
146E51.9Low65Low60 Ų6074.1 Ų74.128%0.2837%0.372SS..  trans-48104.8165.5-69.9169.4140.300106.2R100 E144 L148 R156 K458R100-E146 IonicContact NH2-OE1 3.27Å; E144-E146 PolarHBondContact O-N 3.43Å; E144-E146 VanDerWaalsContact O-N 3.11Å; E146-L148 VanDerWaalsContact C-N 3.29Å; E146-L148 PolarHBondContact O-N 3Å; E146-R156 PolarHBondContact O-NH2 3.43Å; E146-K458 IonicContact OE1-NZ 2.84Å; E146-K458 PolarHBondContact OE1-NZ 3.21Å; E146-K458 WeakPolarHBondContact OE2-CE 3.43Å; E146-K458 IonicContact OE2-NZ 3.74Å; E146-K458 PolarHBondContact OE2-NZ 2.83Å
147E54.7Low66.3Low161 Ų16174.9 Ų74.975%0.75237%0.371SS*.  trans-59.6106.8172.7-79.2-176.5177.500104.1E145 E149E145-E147 VanDerWaalsContact C-N 3.26Å; E145-E147 PolarHBondContact O-N 3.22Å; E147-E149 PolarHBondContact O-N 2.7Å
148L69.5Low67.9Low37 Ų3775 Ų7519%0.19437%0.371CS..  trans-74.1100.6178.1-73.1157.7000104.2E146 D150 V151 F154 F443 I456E146-L148 VanDerWaalsContact C-N 3.29Å; E146-L148 PolarHBondContact O-N 3Å; L148-D150 PolarHBondContact O-N 2.94Å; L148-V151 HydrophobicContact CB-CB 3.7Å; L148-V151 HydrophobicContact CB-CG1 4.36Å; L148-V151 HydrophobicContact CB-CG2 3.83Å; L148-V151 PolarHBondContact O-N 3.41Å; L148-V151 VanDerWaalsContact O-N 3.08Å; L148-F154 HydrophobicContact CD1-CE1 4.33Å; L148-F443 HydrophobicContact CB-CE1 4.4Å; L148-F443 HydrophobicContact CD1-CD1 3.79Å; L148-F443 HydrophobicContact CD1-CE1 3.17Å; L148-F443 HydrophobicContact CD1-CE2 4.47Å; L148-F443 HydrophobicContact CD1-CZ 3.59Å; L148-F443 HydrophobicContact CD2-CD1 3.92Å; L148-F443 HydrophobicContact CD2-CE1 4Å; L148-F443 HydrophobicContact CG-CD1 4.44Å; L148-F443 HydrophobicContact CG-CE1 4.03Å; L148-I456 HydrophobicContact CD1-CD1 3.72Å
149E70Confident69.9Low178 Ų17873.3 Ų73.383%0.83236%0.361SS*.THydrogen-bonded Turntrans-48134.1176.2-72.2-178.817200109.4E147 V151E147-E149 PolarHBondContact O-N 2.7Å; E149-V151 VanDerWaalsContact C-N 3.26Å; E149-V151 PolarHBondContact O-N 3.3Å
150D77.7Confident72Confident170 Ų17067.2 Ų67.291%0.90933%0.333SS*.THydrogen-bonded Turntrans6219.5-179.9-55.8-38.7000116.6L148L148-D150 PolarHBondContact O-N 2.94Å
151V85.9Confident74.2Confident27 Ų2763.2 Ų63.216%0.16431%0.311CS..  trans-114127.5176.7179.40000110.7L148 E149 W153 P442 F443L148-V151 HydrophobicContact CB-CB 3.7Å; L148-V151 HydrophobicContact CB-CG1 4.36Å; L148-V151 HydrophobicContact CB-CG2 3.83Å; L148-V151 PolarHBondContact O-N 3.41Å; L148-V151 VanDerWaalsContact O-N 3.08Å; E149-V151 VanDerWaalsContact C-N 3.26Å; E149-V151 PolarHBondContact O-N 3.3Å; V151-W153 PolarHBondContact O-N 3.28Å; V151-P442 HydrophobicContact CG2-CG 3.6Å; V151-F443 HydrophobicContact CB-CE1 4.41Å; V151-F443 HydrophobicContact CG1-CE1 3.8Å; V151-F443 HydrophobicContact CG1-CZ 3.73Å; V151-F443 HydrophobicContact CG2-CE1 4Å
152P89.7Confident76.5Confident41 Ų4161.8 Ų61.827%0.26630%0.304SS..  trans-54.7133.8175.1-28.337000112
153W90.3Very high78.7Confident86 Ų8666.2 Ų66.233%0.32632%0.324SS..  trans-58.3146.2179.2179.585.7000111.4E145 V151 P155 K163E145-W153 PolarHBondContact OE2-NE1 3.2Å; V151-W153 PolarHBondContact O-N 3.28Å; W153-P155 HydrophobicContact CH2-CB 3.98Å; W153-P155 HydrophobicContact CH2-CG 4.44Å; W153-P155 HydrophobicContact CZ2-CB 4.33Å; W153-K163 HydrophobicContact CH2-CB 4.3Å; W153-K163 HydrophobicContact CH2-CD 4.26Å; W153-K163 HydrophobicContact CZ2-CD 4.11Å
154F92.8Very high80.6Confident12 Ų1262.3 Ų62.35%0.05330%0.3CS..  trans-147.4148.9171.861.7-86.5000109.4L148 R156 L344 F443 I454 I456L148-F154 HydrophobicContact CD1-CE1 4.33Å; F154-R156 HydrophobicContact CE2-CG 4.38Å; F154-R156 PolarHBondContact O-N 3.09Å; F154-L344 HydrophobicContact CB-CB 4.34Å; F154-L344 HydrophobicContact CB-CD2 4.03Å; F154-L344 HydrophobicContact CD2-CB 3.86Å; F154-L344 HydrophobicContact CD2-CD1 4.21Å; F154-L344 HydrophobicContact CD2-CD2 4.16Å; F154-L344 HydrophobicContact CD2-CG 4.3Å; F154-L344 HydrophobicContact CE2-CB 4.3Å; F154-L344 HydrophobicContact CG-CB 3.99Å; F154-L344 HydrophobicContact CG-CD2 4.39Å; F154-F443 HydrophobicContact CE1-CE2 4.12Å; F154-F443 AromaticContact CE1-CZ 3.78Å; F154-F443 HydrophobicContact CE1-CZ 3.78Å; F154-F443 HydrophobicContact CZ-CE2 4.08Å; F154-F443 HydrophobicContact CZ-CZ 4.15Å; F154-I454 HydrophobicContact CE2-CG2 4.02Å; F154-I456 HydrophobicContact CZ-CD1 3.93Å; F154-I456 HydrophobicContact CZ-CG1 4.34Å
155P92.5Very high82.3Confident2 Ų257.7 Ų57.71%0.01328%0.279CS..  trans-61.4136.5176.425-32.8000109.5W153 E160 L161 A289 Y293W153-P155 HydrophobicContact CH2-CB 3.98Å; W153-P155 HydrophobicContact CH2-CG 4.44Å; W153-P155 HydrophobicContact CZ2-CB 4.33Å; P155-E160 HydrophobicContact CB-CB 3.73Å; P155-L161 HydrophobicContact CB-CD2 4.44Å; P155-L161 HydrophobicContact CG-CD2 3.86Å; P155-A289 HydrophobicContact CG-CB 4.14Å; P155-Y293 HydrophobicContact CB-CE2 4.38Å; P155-Y293 HydrophobicContact CG-CE2 3.99Å; P155-Y293 PolarHBondContact O-OH 3.07Å
156R91.2Very high83.7Confident43 Ų4358.9 Ų58.916%0.16229%0.285CS..SBendtrans-98-22.5175.5-66-163.9-173.9-157.8-1.8113.7E145 E146 F154 E160 Y293 S453 I454E145-R156 HydrophobicContact CG-CG 4.44Å; E145-R156 WeakPolarHBondContact OE1-CB 3.43Å; E145-R156 WeakPolarHBondContact OE1-CD 3.4Å; E145-R156 WeakPolarHBondContact OE1-CG 3.38Å; E145-R156 IonicContact OE1-NE 3.93Å; E146-R156 PolarHBondContact O-NH2 3.43Å; F154-R156 HydrophobicContact CE2-CG 4.38Å; F154-R156 PolarHBondContact O-N 3.09Å; R156-E160 PolarHBondContact N-OE2 2.75Å; R156-Y293 WeakPolarHBondContact CA-OH 3.35Å; R156-Y293 PolarHBondContact N-OH 2.66Å; R156-Y293 PolarHBondContact O-OH 2.7Å; R156-Y293 VanDerWaalsContact O-OH 3.14Å; R156-S453 CarbonylContact O-C 3.57Å; R156-S453 VanDerWaalsContact O-CA 3.27Å; R156-S453 WeakPolarHBondContact O-CA 3.13Å; R156-S453 WeakPolarHBondContact O-CB 3.35Å; R156-I454 PolarHBondContact O-N 3Å
157K92.8Very high85Confident108 Ų10861.4 Ų61.447%0.4729%0.292SS..BIsolated β-bridgetrans-121.5149175-63.6174.3-175.4168.30110.3S159 E160 Y293K157-S159 PolarHBondContact O-N 3.28Å; K157-S159 VanDerWaalsContact O-N 3.11Å; K157-E160 HydrophobicContact CB-CG 4.36Å; K157-E160 PolarHBondContact N-OE2 2.71Å; K157-E160 WeakPolarHBondContact O-CB 3.32Å; K157-E160 PolarHBondContact O-N 2.75Å; K157-Y293 PolarHBondContact N-OH 2.92Å
158I94.7Very high85.8Confident10 Ų1055.6 Ų55.65%0.05127%0.267CS..G310 helixtrans-54.4-34177-169.6167.4000113.2E160 L161 Y203 Y293 V295 Q452I158-E160 PolarHBondContact O-N 2.62Å; I158-L161 HydrophobicContact CG1-CD1 4.18Å; I158-L161 WeakPolarHBondContact O-CB 3.15Å; I158-L161 WeakPolarHBondContact O-CG 3.41Å; I158-L161 PolarHBondContact O-N 2.74Å; I158-Y203 HydrophobicContact CB-CE2 4.29Å; I158-Y203 HydrophobicContact CD1-CE2 3.78Å; I158-Y203 HydrophobicContact CG1-CD2 4.14Å; I158-Y203 HydrophobicContact CG1-CE2 3.72Å; I158-Y203 HydrophobicContact CG2-CD2 4.38Å; I158-Y203 HydrophobicContact CG2-CE1 3.92Å; I158-Y203 HydrophobicContact CG2-CE2 3.67Å; I158-Y203 VanDerWaalsContact CG2-CZ 3.4Å; I158-Y203 WeakPolarHBondContact CG2-OH 3.4Å; I158-Y293 HydrophobicContact CB-CD1 3.71Å; I158-Y293 HydrophobicContact CB-CE1 4.3Å; I158-Y293 HydrophobicContact CB-CG 4.39Å; I158-Y293 HydrophobicContact CG1-CD1 4.2Å; I158-Y293 HydrophobicContact CG1-CG 4.42Å; I158-V295 HydrophobicContact CD1-CG2 3.81Å; I158-V295 HydrophobicContact CG1-CG2 4.04Å; I158-Q452 HydrophobicContact CB-CB 4.08Å; I158-Q452 HydrophobicContact CD1-CB 4.48Å; I158-Q452 HydrophobicContact CG2-CB 3.61Å; I158-Q452 PolarHBondContact N-O 2.83Å
159S93.8Very high86Confident46 Ų4656.6 Ų56.632%0.32227%0.273SS..G310 helixtrans-65.9-24.3177.755.60000113.5K157 L161 D162K157-S159 PolarHBondContact O-N 3.28Å; K157-S159 VanDerWaalsContact O-N 3.11Å; S159-L161 PolarHBondContact O-N 2.91Å; S159-D162 WeakPolarHBondContact O-CB 3.26Å; S159-D162 PolarHBondContact O-N 2.6Å
160E94.2Very high85.8Confident26 Ų2648.9 Ų48.912%0.12124%0.237CC..G310 helixtrans-76.3-8.6179.5-68162.4-163.100112.9P155 R156 K157 I158 D162 K163P155-E160 HydrophobicContact CB-CB 3.73Å; R156-E160 PolarHBondContact N-OE2 2.75Å; K157-E160 HydrophobicContact CB-CG 4.36Å; K157-E160 PolarHBondContact N-OE2 2.71Å; K157-E160 WeakPolarHBondContact O-CB 3.32Å; K157-E160 PolarHBondContact O-N 2.75Å; I158-E160 PolarHBondContact O-N 2.62Å; E160-D162 PolarHBondContact O-N 2.92Å; E160-D162 VanDerWaalsContact O-N 3.16Å; E160-K163 VanDerWaalsContact O-CB 3.29Å; E160-K163 WeakPolarHBondContact O-CB 3.47Å; E160-K163 PolarHBondContact O-N 2.84Å
161L94Very high85.1Confident2 Ų241.3 Ų41.31%0.0120%0.195CC..Hα-helixtrans-59.4-19.9165.7-64.1176000112.2P155 I158 S159 K163 C164 S165 Y293 V295P155-L161 HydrophobicContact CB-CD2 4.44Å; P155-L161 HydrophobicContact CG-CD2 3.86Å; I158-L161 HydrophobicContact CG1-CD1 4.18Å; I158-L161 WeakPolarHBondContact O-CB 3.15Å; I158-L161 WeakPolarHBondContact O-CG 3.41Å; I158-L161 PolarHBondContact O-N 2.74Å; S159-L161 PolarHBondContact O-N 2.91Å; L161-K163 PolarHBondContact O-N 2.79Å; L161-C164 PolarHBondContact O-N 2.85Å; L161-S165 WeakPolarHBondContact O-CB 3.35Å; L161-S165 PolarHBondContact O-N 3.3Å; L161-S165 PolarHBondContact O-OG 3.11Å; L161-S165 VanDerWaalsContact O-OG 3.12Å; L161-Y293 HydrophobicContact CD1-CD2 4.23Å; L161-Y293 HydrophobicContact CD1-CG 4.23Å; L161-Y293 HydrophobicContact CD2-CD2 4.16Å; L161-Y293 HydrophobicContact CG-CD2 4.38Å; L161-V295 HydrophobicContact CD1-CB 3.75Å; L161-V295 HydrophobicContact CD1-CG1 4.01Å; L161-V295 HydrophobicContact CD1-CG2 3.66Å
162D92.4Very high84.2Confident29 Ų2940.5 Ų40.516%0.15519%0.193CC..Hα-helixtrans-56.2-32.7168-73.9-11.8000112.1S159 E160 S165 H166 K202 Y203 R276S159-D162 WeakPolarHBondContact O-CB 3.26Å; S159-D162 PolarHBondContact O-N 2.6Å; E160-D162 PolarHBondContact O-N 2.92Å; E160-D162 VanDerWaalsContact O-N 3.16Å; D162-S165 PolarHBondContact O-OG 2.82Å; D162-H166 PolarHBondContact O-CD2 2.77Å; D162-H166 VanDerWaalsContact O-CD2 3.31Å; D162-K202 HydrophobicContact CB-CD 4.22Å; D162-K202 VanDerWaalsContact OD2-CD 3.31Å; D162-K202 WeakPolarHBondContact OD2-CD 3.13Å; D162-Y203 PolarHBondContact OD1-N 2.88Å; D162-Y203 PolarHBondContact OD2-N 3.38Å; D162-R276 IonicContact OD1-CZ 3.79Å; D162-R276 IonicContact OD1-NH1 2.75Å; D162-R276 PolarHBondContact OD1-NH1 3.12Å; D162-R276 IonicContact OD1-NH2 3.16Å; D162-R276 PolarHBondContact OD1-NH2 3.31Å
163K88.4Confident83.2Confident119 Ų11941.5 Ų41.552%0.51720%0.201SC..Hα-helixtrans-74-37.9177.4-58.6177.5179.6176.30112.1W153 E160 L161W153-K163 HydrophobicContact CH2-CB 4.3Å; W153-K163 HydrophobicContact CH2-CD 4.26Å; W153-K163 HydrophobicContact CZ2-CD 4.11Å; E160-K163 VanDerWaalsContact O-CB 3.29Å; E160-K163 WeakPolarHBondContact O-CB 3.47Å; E160-K163 PolarHBondContact O-N 2.84Å; L161-K163 PolarHBondContact O-N 2.79Å
164C84.6Confident82.3Confident0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-72.4-45179.4-65.20000112L161 H166 R167 D286L161-C164 PolarHBondContact O-N 2.85Å; C164-H166 PolarHBondContact O-N 3.05Å; C164-H166 VanDerWaalsContact O-N 3.09Å; C164-R167 WeakPolarHBondContact O-CB 3.42Å; C164-R167 PolarHBondContact O-N 2.97Å; C164-D286 HydrophobicContact CB-CB 4Å; C164-D286 WeakPolarHBondContact CB-OD1 3.35Å; C164-D286 PolarHBondContact SG-OD1 3.32Å
165S79.5Confident81.6Confident6 Ų645.2 Ų45.24%0.04222%0.222CC..THydrogen-bonded Turntrans-65.2-17.3-170.860.10000115.4L161 D162 R276L161-S165 WeakPolarHBondContact O-CB 3.35Å; L161-S165 PolarHBondContact O-N 3.3Å; L161-S165 PolarHBondContact O-OG 3.11Å; L161-S165 VanDerWaalsContact O-OG 3.12Å; D162-S165 PolarHBondContact O-OG 2.82Å; S165-R276 VanDerWaalsContact CB-NE 3.31Å; S165-R276 PolarHBondContact OG-NE 3.26Å; S165-R276 PolarHBondContact OG-NH2 3.32Å
166H77.8Confident80.9Confident74 Ų7447.3 Ų47.334%0.34323%0.233SC..THydrogen-bonded Turntrans-84.6-12176.9-71.4-148.5000112.8D162 C164 V168 M199 K202D162-H166 PolarHBondContact O-CD2 2.77Å; D162-H166 VanDerWaalsContact O-CD2 3.31Å; C164-H166 PolarHBondContact O-N 3.05Å; C164-H166 VanDerWaalsContact O-N 3.09Å; H166-V168 VanDerWaalsContact C-N 3.29Å; H166-V168 PolarHBondContact O-N 2.9Å; H166-M199 HydrophobicContact CB-SD 4.26Å; H166-M199 PolarHBondContact NE2-O 2.83Å; H166-K202 PolarHBondContact CE1-NZ 2.87Å; H166-K202 PolarHBondContact NE2-NZ 3.37Å
167R78.7Confident80.4Confident112 Ų11249 Ų4942%0.42326%0.256SS..  trans-86.663.7-177.7-61.4-178.6-179.1-164.3-3.9111.5D21 C164D21-R167 IonicContact OD1-NH1 3.96Å; D21-R167 PolarHBondContact OD1-NH1 2.91Å; C164-R167 WeakPolarHBondContact O-CB 3.42Å; C164-R167 PolarHBondContact O-N 2.97Å
168V72.3Confident79.7Confident39 Ų3950.5 Ų50.524%0.23627%0.269CS..EExtended strand (participates in β ladder)trans-83.9121-177179.10000110.3H166 M199 A279 Y281 L282H166-V168 VanDerWaalsContact C-N 3.29Å; H166-V168 PolarHBondContact O-N 2.9Å; V168-M199 HydrophobicContact CB-CE 4.24Å; V168-M199 HydrophobicContact CG2-CE 3.73Å; V168-A279 HydrophobicContact CG2-CB 4.09Å; V168-Y281 CarbonylContact C-O 3.49Å; V168-Y281 WeakPolarHBondContact CA-O 3.24Å; V168-L282 HydrophobicContact CG2-CD2 4.04Å
169L72Confident79.2Confident59 Ų5950.4 Ų50.431%0.30927%0.269SS..EExtended strand (participates in β ladder)trans-87.3-34.8-175.1-64.1175.3000112.9W13 L20 Y281 S283W13-L169 HydrophobicContact CH2-CB 4.1Å; W13-L169 HydrophobicContact CH2-CD1 3.22Å; W13-L169 HydrophobicContact CH2-CG 4.2Å; W13-L169 HydrophobicContact CZ2-CD1 3.99Å; W13-L169 HydrophobicContact CZ3-CD1 3.82Å; L20-L169 HydrophobicContact CD1-CD2 4.06Å; L169-Y281 PolarHBondContact N-O 3.37Å; L169-S283 VanDerWaalsContact CD1-CA 3.43Å
170M65.9Low78.8Confident16 Ų1650.7 Ų50.78%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-154.4160.6-173.2-71.9-169.571.400113M6 Y12 R16 G172 Y281M6-M170 HydrophobicContact SD-CE 3.94Å; M6-M170 HydrophobicContact SD-SD 4.2Å; Y12-M170 HydrophobicContact CE1-SD 3.55Å; Y12-M170 VanDerWaalsContact CE1-SD 3.55Å; Y12-M170 WeakPolarHBondContact OH-CE 3.49Å; Y12-M170 PolarHBondContact OH-SD 3.35Å; R16-M170 PolarHBondContact NH1-SD 2.9Å; M170-G172 PolarHBondContact O-N 2.81Å; M170-G172 VanDerWaalsContact O-N 3.13Å; M170-Y281 HydrophobicContact CB-CD2 4.22Å; M170-Y281 PolarHBondContact O-N 3.25Å
171Y64.6Low78.4Confident10 Ų1049.4 Ų49.44%0.03926%0.264CS..SBendtrans53.933.7172.4-57.8-73.1000113.1M6 D176 R191 Y281 E313M6-Y171 HydrophobicContact CE-CE2 4.19Å; M6-Y171 WeakPolarHBondContact CE-OH 3.33Å; M6-Y171 HydrophobicContact SD-CE2 4.08Å; Y171-D176 WeakPolarHBondContact CE1-OD2 3.27Å; Y171-D176 VanDerWaalsContact CZ-OD2 3.25Å; Y171-D176 PolarHBondContact OH-OD2 2.89Å; Y171-R191 PolarHBondContact O-NH2 3.15Å; Y171-Y281 AromaticContact CD2-CD2 3.3Å; Y171-Y281 HydrophobicContact CD2-CD2 3.3Å; Y171-Y281 AromaticContact CD2-CE2 2.99Å; Y171-Y281 HydrophobicContact CD2-CE2 2.99Å; Y171-Y281 HydrophobicContact CD2-CG 4.46Å; Y171-Y281 AromaticContact CD2-CZ 3.98Å; Y171-Y281 HydrophobicContact CE2-CD2 4.22Å; Y171-Y281 AromaticContact CE2-CE2 3.66Å; Y171-Y281 HydrophobicContact CE2-CE2 3.66Å; Y171-Y281 AromaticContact CG-CD2 4Å; Y171-Y281 HydrophobicContact CG-CD2 4Å; Y171-Y281 AromaticContact CG-CE2 3.7Å; Y171-Y281 HydrophobicContact CG-CE2 3.7Å; Y171-E313 WeakPolarHBondContact CB-OE1 3.34Å; Y171-E313 HydrophobicContact CD1-CG 3.69Å; Y171-E313 WeakPolarHBondContact CD1-OE1 3.43Å; Y171-E313 HydrophobicContact CD2-CG 4.5Å; Y171-E313 HydrophobicContact CE1-CG 4.05Å; Y171-E313 HydrophobicContact CG-CG 3.9Å
172G66.3Low78Confident11 Ų1153 Ų5311%0.11328%0.279CS..SBendtrans-77.1-108.2164.600000109.4M170M170-G172 PolarHBondContact O-N 2.81Å; M170-G172 VanDerWaalsContact O-N 3.13Å
173S67.7Low77.9Confident61 Ų6160.5 Ų60.543%0.42731%0.31SS..SBendtrans-84.8-23.7177.350.80000113.4
174E72.9Confident78.1Confident161 Ų16157.2 Ų57.275%0.75230%0.298SS*.  trans-95.4131.2179.7-63.3-173.9177.300110.5
175L76.5Confident78.5Confident15 Ų1562.9 Ų62.98%0.07933%0.329CS..  trans-110.3142.7177.3-56177.4000108.6H179 F182 Y187 R188 R191 E313L175-H179 HydrophobicContact CB-CB 4.02Å; L175-F182 HydrophobicContact CB-CD2 4.5Å; L175-F182 WeakPolarHBondContact O-CD2 3.34Å; L175-Y187 HydrophobicContact CD1-CD1 3.88Å; L175-Y187 HydrophobicContact CD1-CE1 3.89Å; L175-R188 HydrophobicContact CD1-CG 4Å; L175-R191 VanDerWaalsContact CD2-NH1 3.32Å; L175-E313 WeakPolarHBondContact CD2-OE1 3.48Å
176D78.2Confident79.2Confident47 Ų4768 Ų6825%0.25136%0.36SS..  trans-63.7154.2172.7-68.7-37.5000111Y171 D178 H179 F182Y171-D176 WeakPolarHBondContact CE1-OD2 3.27Å; Y171-D176 VanDerWaalsContact CZ-OD2 3.25Å; Y171-D176 PolarHBondContact OH-OD2 2.89Å; D176-D178 WeakPolarHBondContact CB-OD1 3.47Å; D176-D178 PolarHBondContact O-N 2.98Å; D176-H179 WeakPolarHBondContact O-CB 3.27Å; D176-H179 PolarHBondContact O-N 3.5Å; D176-F182 VanDerWaalsContact O-CD2 3.29Å; D176-F182 WeakPolarHBondContact O-CD2 3.05Å
177A80.3Confident80Confident78 Ų7865.4 Ų65.465%0.64535%0.347SS*.THydrogen-bonded Turntrans-64-22.9-173.900000114.4F182A177-F182 HydrophobicContact CB-CE1 4.31Å; A177-F182 HydrophobicContact CB-CE2 4.33Å; A177-F182 HydrophobicContact CB-CZ 4.19Å
178D80.1Confident80.7Confident139 Ų13965.3 Ų65.374%0.74335%0.346SS*.THydrogen-bonded Turntrans-89.9-5.4176.263.6-27.2000113.3D176D176-D178 WeakPolarHBondContact CB-OD1 3.47Å; D176-D178 PolarHBondContact O-N 2.98Å
179H83Confident81.7Confident9 Ų969.6 Ų69.64%0.04236%0.364CS..SBendtrans-64.2133.7175.5-172.6-77.9000110.4L175 D176 G181 F182 Y187 E313L175-H179 HydrophobicContact CB-CB 4.02Å; D176-H179 WeakPolarHBondContact O-CB 3.27Å; D176-H179 PolarHBondContact O-N 3.5Å; H179-G181 PolarHBondContact ND1-N 2.97Å; H179-G181 PolarHBondContact O-N 3.08Å; H179-G181 VanDerWaalsContact O-N 3.13Å; H179-F182 HydrophobicContact CB-CB 4.44Å; H179-F182 WeakPolarHBondContact O-CB 3.36Å; H179-F182 PolarHBondContact O-N 3.44Å; H179-Y187 AromaticContact CE1-CE1 3.46Å; H179-Y187 VanDerWaalsContact CE1-CE1 3.46Å; H179-Y187 WeakPolarHBondContact CE1-CE1 3.4Å; H179-Y187 AromaticContact CE1-CZ 3.95Å; H179-E313 IonicContact CD2-OE1 3.57Å; H179-E313 IonicContact CD2-OE2 3.33Å; H179-E313 IonicContact CE1-OE2 2.68Å; H179-E313 IonicContact NE2-OE1 3.51Å; H179-E313 IonicContact NE2-OE2 3.72Å; H179-E313 PolarHBondContact NE2-OE2 3.48Å
180P84.7Confident82.8Confident51 Ų5169.3 Ų69.333%0.33136%0.359SS..THydrogen-bonded Turntrans-57.2-34.4-176.419.9-32.6000113.5H304P180-H304 HydrophobicContact CB-CB 4.15Å; P180-H304 HydrophobicContact CG-CB 3.91Å
181G86.2Confident84.1Confident0 Ų068.6 Ų68.60%036%0.355CS..THydrogen-bonded Turntrans-83.14.2174.200000116.2H179 K183 D184H179-G181 PolarHBondContact ND1-N 2.97Å; H179-G181 PolarHBondContact O-N 3.08Å; H179-G181 VanDerWaalsContact O-N 3.13Å; G181-K183 VanDerWaalsContact C-N 3.26Å; G181-K183 PolarHBondContact O-N 3.27Å; G181-D184 PolarHBondContact O-N 3.16Å; G181-D184 VanDerWaalsContact O-N 3.09Å
182F86.3Confident85.5Confident76 Ų7672.9 Ų72.933%0.33337%0.374SS..THydrogen-bonded Turntrans-59.3-36.5-176179.7-103.1000113L175 D176 A177 H179 R188L175-F182 HydrophobicContact CB-CD2 4.5Å; L175-F182 WeakPolarHBondContact O-CD2 3.34Å; D176-F182 VanDerWaalsContact O-CD2 3.29Å; D176-F182 WeakPolarHBondContact O-CD2 3.05Å; A177-F182 HydrophobicContact CB-CE1 4.31Å; A177-F182 HydrophobicContact CB-CE2 4.33Å; A177-F182 HydrophobicContact CB-CZ 4.19Å; H179-F182 HydrophobicContact CB-CB 4.44Å; H179-F182 WeakPolarHBondContact O-CB 3.36Å; H179-F182 PolarHBondContact O-N 3.44Å; F182-R188 WeakPolarHBondContact O-CD 3.37Å
183K89.8Confident86.9Confident187 Ų18776.4 Ų76.481%0.81339%0.385SS*.THydrogen-bonded Turntrans-94.1-2.2178.3-63.5-173.7179.9177.90113.7G181G181-K183 VanDerWaalsContact C-N 3.26Å; G181-K183 PolarHBondContact O-N 3.27Å
184D92.5Very high88.3Confident50 Ų5073.8 Ų73.827%0.26737%0.366SS..  trans-93.7103.5178.7-176.6-9.4000110.2G181 V186 Y187 R188 H304G181-D184 PolarHBondContact O-N 3.16Å; G181-D184 VanDerWaalsContact O-N 3.09Å; D184-V186 VanDerWaalsContact C-N 3.28Å; D184-V186 PolarHBondContact O-N 3.34Å; D184-V186 WeakPolarHBondContact OD1-CA 3.31Å; D184-V186 WeakPolarHBondContact OD1-CB 3.41Å; D184-V186 PolarHBondContact OD1-N 3.4Å; D184-Y187 PolarHBondContact O-N 2.97Å; D184-Y187 PolarHBondContact OD1-N 3.05Å; D184-Y187 VanDerWaalsContact OD1-N 3.12Å; D184-Y187 WeakPolarHBondContact OD2-CB 3.32Å; D184-R188 VanDerWaalsContact O-CG 3.29Å; D184-R188 WeakPolarHBondContact O-CG 3.4Å; D184-R188 PolarHBondContact O-N 3.1Å; D184-H304 IonicContact OD2-CD2 3.38Å; D184-H304 IonicContact OD2-NE2 3.49Å; D184-H304 PolarHBondContact OD2-NE2 3.38Å
185N93.5Very high89.2Confident120 Ų12066.9 Ų66.964%0.64233%0.334SS*.Hα-helixtrans-64.9-30.9178.7-70.3-29.7000112.9Q189N185-Q189 WeakPolarHBondContact O-CB 3.4Å; N185-Q189 PolarHBondContact O-N 2.65Å
186V95.1Very high90.1Very high113 Ų11370.7 Ų70.769%0.68536%0.355SS*.Hα-helixtrans-68.6-48.8177.9-179.60000108.9D184 R188 Q189 R190D184-V186 VanDerWaalsContact C-N 3.28Å; D184-V186 PolarHBondContact O-N 3.34Å; D184-V186 WeakPolarHBondContact OD1-CA 3.31Å; D184-V186 WeakPolarHBondContact OD1-CB 3.41Å; D184-V186 PolarHBondContact OD1-N 3.4Å; V186-R188 PolarHBondContact O-N 3.22Å; V186-Q189 PolarHBondContact O-N 2.9Å; V186-R190 VanDerWaalsContact O-CB 3.31Å; V186-R190 WeakPolarHBondContact O-CB 3.46Å; V186-R190 PolarHBondContact O-N 3.5Å
187Y93.9Very high90.9Very high20 Ų2069.4 Ų69.48%0.07835%0.348CS..Hα-helixtrans-60.8-42.4176-173.3-96.6000112.4L175 H179 D184 Q189 R190 R191 I302 H304L175-Y187 HydrophobicContact CD1-CD1 3.88Å; L175-Y187 HydrophobicContact CD1-CE1 3.89Å; H179-Y187 AromaticContact CE1-CE1 3.46Å; H179-Y187 VanDerWaalsContact CE1-CE1 3.46Å; H179-Y187 WeakPolarHBondContact CE1-CE1 3.4Å; H179-Y187 AromaticContact CE1-CZ 3.95Å; D184-Y187 PolarHBondContact O-N 2.97Å; D184-Y187 PolarHBondContact OD1-N 3.05Å; D184-Y187 VanDerWaalsContact OD1-N 3.12Å; D184-Y187 WeakPolarHBondContact OD2-CB 3.32Å; Y187-Q189 PolarHBondContact O-N 2.69Å; Y187-R190 WeakPolarHBondContact O-CB 3.34Å; Y187-R190 PolarHBondContact O-N 3.24Å; Y187-R191 HydrophobicContact CD1-CG 4.02Å; Y187-R191 HydrophobicContact CE1-CG 3.7Å; Y187-R191 WeakPolarHBondContact O-CG 3.46Å; Y187-R191 PolarHBondContact O-N 2.97Å; Y187-I302 WeakPolarHBondContact CE2-O 3.19Å; Y187-I302 PolarHBondContact OH-O 3.12Å; Y187-I302 VanDerWaalsContact OH-O 3.07Å; Y187-H304 HydrophobicContact CD2-CB 4.43Å; Y187-H304 AromaticContact CD2-CD2 3.71Å; Y187-H304 HydrophobicContact CE2-CB 4.05Å; Y187-H304 AromaticContact CG-CD2 3.72Å
188R92.4Very high91.6Very high109 Ų10966 Ų6641%0.41132%0.32SS..Hα-helixtrans-61.8-43.9176.3-73.1177.668-168.44112.8L175 F182 D184 V186 R190 R191 K192L175-R188 HydrophobicContact CD1-CG 4Å; F182-R188 WeakPolarHBondContact O-CD 3.37Å; D184-R188 VanDerWaalsContact O-CG 3.29Å; D184-R188 WeakPolarHBondContact O-CG 3.4Å; D184-R188 PolarHBondContact O-N 3.1Å; V186-R188 PolarHBondContact O-N 3.22Å; R188-R190 VanDerWaalsContact C-N 3.3Å; R188-R190 PolarHBondContact O-N 3.41Å; R188-R191 PolarHBondContact O-N 2.64Å; R188-K192 PolarHBondContact O-N 2.76Å
189Q94.1Very high92.1Very high129 Ų12962.3 Ų62.360%0.60330%0.299SS*.Hα-helixtrans-66-37.4176.5-17160.432.200111.2N185 V186 Y187 K192 Y193N185-Q189 WeakPolarHBondContact O-CB 3.4Å; N185-Q189 PolarHBondContact O-N 2.65Å; V186-Q189 PolarHBondContact O-N 2.9Å; Y187-Q189 PolarHBondContact O-N 2.69Å; Q189-K192 PolarHBondContact O-N 3.24Å; Q189-Y193 PolarHBondContact O-N 2.92Å; Q189-Y193 VanDerWaalsContact O-N 3.09Å
190R95.6Very high92.7Very high53 Ų5364.3 Ų64.320%0.232%0.323CS..Hα-helixtrans-64-40.2174.8-172.356.8169178.7-3111.9V186 Y187 R188 Y193 F194 E211 E216V186-R190 VanDerWaalsContact O-CB 3.31Å; V186-R190 WeakPolarHBondContact O-CB 3.46Å; V186-R190 PolarHBondContact O-N 3.5Å; Y187-R190 WeakPolarHBondContact O-CB 3.34Å; Y187-R190 PolarHBondContact O-N 3.24Å; R188-R190 VanDerWaalsContact C-N 3.3Å; R188-R190 PolarHBondContact O-N 3.41Å; R190-Y193 WeakPolarHBondContact O-CB 3.37Å; R190-Y193 PolarHBondContact O-N 2.92Å; R190-F194 HydrophobicContact CG-CD2 4.37Å; R190-F194 HydrophobicContact CG-CE2 3.84Å; R190-F194 WeakPolarHBondContact O-CD2 3.43Å; R190-F194 PolarHBondContact O-N 3.21Å; R190-E211 PolarHBondContact NH2-O 3.41Å; R190-E216 VanDerWaalsContact CG-OE1 3.28Å; R190-E216 WeakPolarHBondContact CG-OE1 3.36Å; R190-E216 IonicContact CZ-OE1 3.27Å; R190-E216 IonicContact CZ-OE2 2.8Å; R190-E216 IonicContact NE-OE1 3.56Å; R190-E216 PolarHBondContact NE-OE1 3.41Å; R190-E216 IonicContact NE-OE2 2.77Å; R190-E216 IonicContact NH2-OE1 3.95Å; R190-E216 IonicContact NH2-OE2 3.64Å; R190-E216 PolarHBondContact NH2-OE2 3.37Å
191R93.4Very high93.2Very high1 Ų162.9 Ų62.90%0.00431%0.311CS..Hα-helixtrans-63.1-41.9172.4-74.3-68.1-66.5-82.6-3.6113Y171 L175 Y187 R188 Y193 F194 V195 E313Y171-R191 PolarHBondContact O-NH2 3.15Å; L175-R191 VanDerWaalsContact CD2-NH1 3.32Å; Y187-R191 HydrophobicContact CD1-CG 4.02Å; Y187-R191 HydrophobicContact CE1-CG 3.7Å; Y187-R191 WeakPolarHBondContact O-CG 3.46Å; Y187-R191 PolarHBondContact O-N 2.97Å; R188-R191 PolarHBondContact O-N 2.64Å; R191-Y193 VanDerWaalsContact C-N 3.31Å; R191-Y193 PolarHBondContact O-N 2.8Å; R191-F194 PolarHBondContact O-N 3.29Å; R191-F194 VanDerWaalsContact O-N 3.13Å; R191-V195 WeakPolarHBondContact O-CG2 3.46Å; R191-V195 PolarHBondContact O-N 3.42Å; R191-E313 IonicContact CZ-OE1 3.82Å; R191-E313 IonicContact CZ-OE2 2.78Å; R191-E313 IonicContact NH1-OE1 2.68Å; R191-E313 PolarHBondContact NH1-OE1 2.97Å; R191-E313 IonicContact NH1-OE2 3.85Å; R191-E313 PolarHBondContact NH1-OE2 3.49Å; R191-E313 IonicContact NH2-OE1 3.7Å; R191-E313 PolarHBondContact NH2-OE1 3.3Å; R191-E313 IonicContact NH2-OE2 2.94Å
192K93.3Very high93.7Very high101 Ų10166.4 Ų66.444%0.43933%0.326SS..Hα-helixtrans-58.3-42.1173.7-176.7171.2179.4165.70112.2R188 Q189 F194 V195 D196R188-K192 PolarHBondContact O-N 2.76Å; Q189-K192 PolarHBondContact O-N 3.24Å; K192-F194 VanDerWaalsContact C-N 3.34Å; K192-F194 PolarHBondContact O-N 3.37Å; K192-V195 WeakPolarHBondContact O-CB 3.26Å; K192-V195 PolarHBondContact O-N 3.13Å; K192-D196 PolarHBondContact O-N 3.1Å
193Y95.9Very high94Very high84 Ų8467 Ų6733%0.32933%0.327SS..Hα-helixtrans-55.9-46.2173.4162.1-94.2000112.2Q189 R190 R191 V195 D196 V197 V210Q189-Y193 PolarHBondContact O-N 2.92Å; Q189-Y193 VanDerWaalsContact O-N 3.09Å; R190-Y193 WeakPolarHBondContact O-CB 3.37Å; R190-Y193 PolarHBondContact O-N 2.92Å; R191-Y193 VanDerWaalsContact C-N 3.31Å; R191-Y193 PolarHBondContact O-N 2.8Å; Y193-V195 VanDerWaalsContact C-N 3.34Å; Y193-V195 PolarHBondContact O-N 3.49Å; Y193-D196 PolarHBondContact O-N 3.33Å; Y193-V197 HydrophobicContact CD2-CG2 4.35Å; Y193-V197 HydrophobicContact CE1-CG2 4.07Å; Y193-V197 HydrophobicContact CE2-CG2 3.89Å; Y193-V197 WeakPolarHBondContact O-CG2 3.18Å; Y193-V197 PolarHBondContact O-N 3.4Å; Y193-V210 HydrophobicContact CE1-CG1 3.92Å; Y193-V210 HydrophobicContact CE1-CG2 4.23Å
194F96.1Very high94.2Very high7 Ų761.2 Ų61.23%0.03132%0.32CS..Hα-helixtrans-65.3-35177.6-71.5-69.6000113.2R190 R191 K192 V197 A198 V210 Y212 Q300 Y301R190-F194 HydrophobicContact CG-CD2 4.37Å; R190-F194 HydrophobicContact CG-CE2 3.84Å; R190-F194 WeakPolarHBondContact O-CD2 3.43Å; R190-F194 PolarHBondContact O-N 3.21Å; R191-F194 PolarHBondContact O-N 3.29Å; R191-F194 VanDerWaalsContact O-N 3.13Å; K192-F194 VanDerWaalsContact C-N 3.34Å; K192-F194 PolarHBondContact O-N 3.37Å; F194-V197 PolarHBondContact O-N 3.42Å; F194-A198 PolarHBondContact O-N 2.87Å; F194-V210 HydrophobicContact CD1-CG2 4.36Å; F194-V210 HydrophobicContact CE1-CB 4.24Å; F194-V210 HydrophobicContact CE1-CG1 3.66Å; F194-V210 HydrophobicContact CE1-CG2 3.89Å; F194-V210 HydrophobicContact CZ-CG1 3.97Å; F194-Y212 HydrophobicContact CE1-CE1 4.29Å; F194-Y212 HydrophobicContact CZ-CD1 4.43Å; F194-Y212 HydrophobicContact CZ-CE1 4.06Å; F194-Q300 HydrophobicContact CD1-CB 3.6Å; F194-Q300 HydrophobicContact CE1-CB 3.81Å; F194-Q300 WeakPolarHBondContact CE1-O 3.37Å; F194-Y301 VanDerWaalsContact CD2-CB 3.48Å
195V93Very high94.4Very high16 Ų1663.3 Ų63.310%0.09733%0.329CS..Hα-helixtrans-61.9-48.1172.9173.40000110.4R191 K192 Y193 V197 A198 M199 A279R191-V195 WeakPolarHBondContact O-CG2 3.46Å; R191-V195 PolarHBondContact O-N 3.42Å; K192-V195 WeakPolarHBondContact O-CB 3.26Å; K192-V195 PolarHBondContact O-N 3.13Å; Y193-V195 VanDerWaalsContact C-N 3.34Å; Y193-V195 PolarHBondContact O-N 3.49Å; V195-V197 VanDerWaalsContact C-N 3.31Å; V195-V197 PolarHBondContact O-N 3.31Å; V195-A198 PolarHBondContact O-N 3.24Å; V195-M199 HydrophobicContact CG1-CG 4.13Å; V195-M199 WeakPolarHBondContact O-CB 3.4Å; V195-M199 VanDerWaalsContact O-CG 3.27Å; V195-M199 WeakPolarHBondContact O-CG 3.39Å; V195-M199 PolarHBondContact O-N 2.96Å; V195-A279 HydrophobicContact CB-CB 4.15Å; V195-A279 HydrophobicContact CG1-CB 3.98Å; V195-A279 HydrophobicContact CG2-CB 4.07Å
196D94.4Very high94.6Very high94 Ų9462 Ų6250%0.50333%0.326SS..Hα-helixtrans-62.3-39.8180-65.2-26.1000111.2K192 Y193 G200K192-D196 PolarHBondContact O-N 3.1Å; Y193-D196 PolarHBondContact O-N 3.33Å; D196-G200 PolarHBondContact O-N 2.84Å
197V95.1Very high94.7Very high20 Ų2056.8 Ų56.812%0.12130%0.295CS..Hα-helixtrans-59.8-49.2173.7169.20000111.5Y193 F194 V195 G200 Y201 P208 Q300Y193-V197 HydrophobicContact CD2-CG2 4.35Å; Y193-V197 HydrophobicContact CE1-CG2 4.07Å; Y193-V197 HydrophobicContact CE2-CG2 3.89Å; Y193-V197 WeakPolarHBondContact O-CG2 3.18Å; Y193-V197 PolarHBondContact O-N 3.4Å; F194-V197 PolarHBondContact O-N 3.42Å; V195-V197 VanDerWaalsContact C-N 3.31Å; V195-V197 PolarHBondContact O-N 3.31Å; V197-G200 PolarHBondContact O-N 2.97Å; V197-Y201 PolarHBondContact O-N 2.76Å; V197-P208 HydrophobicContact CG1-CB 3.79Å; V197-P208 HydrophobicContact CG1-CG 3.98Å; V197-Q300 VanDerWaalsContact CG1-OE1 3.3Å
198A95Very high94.9Very high6 Ų658.2 Ų58.25%0.0531%0.306CS..Hα-helixtrans-68.2-40.3-178.800000112.6F194 V195 G200 Y201 P277 A279F194-A198 PolarHBondContact O-N 2.87Å; V195-A198 PolarHBondContact O-N 3.24Å; A198-G200 VanDerWaalsContact C-N 3.3Å; A198-G200 PolarHBondContact O-N 3.35Å; A198-Y201 WeakPolarHBondContact O-CB 3.42Å; A198-Y201 PolarHBondContact O-N 3.27Å; A198-P277 HydrophobicContact CB-CB 4.31Å; A198-A279 HydrophobicContact CB-CB 3.92Å
199M91.4Very high95.2Very high62 Ų6259.4 Ų59.431%0.30531%0.311SS..Hα-helixtrans-70.7-25.7177.7-68.8-65.5-176.400112.9H166 V168 V195 A279H166-M199 HydrophobicContact CB-SD 4.26Å; H166-M199 PolarHBondContact NE2-O 2.83Å; V168-M199 HydrophobicContact CB-CE 4.24Å; V168-M199 HydrophobicContact CG2-CE 3.73Å; V195-M199 HydrophobicContact CG1-CG 4.13Å; V195-M199 WeakPolarHBondContact O-CB 3.4Å; V195-M199 VanDerWaalsContact O-CG 3.27Å; V195-M199 WeakPolarHBondContact O-CG 3.39Å; V195-M199 PolarHBondContact O-N 2.96Å; M199-A279 HydrophobicContact CE-CB 4.2Å
200G94.2Very high95.4Very high52 Ų5253.4 Ų53.454%0.53628%0.283SS..Hα-helixtrans-78.7-16.2174.400000114.3D196 V197 A198D196-G200 PolarHBondContact O-N 2.84Å; V197-G200 PolarHBondContact O-N 2.97Å; A198-G200 VanDerWaalsContact C-N 3.3Å; A198-G200 PolarHBondContact O-N 3.35Å
201Y96.6Very high95.5Very high20 Ų2059.2 Ų59.28%0.07831%0.312CS..  trans-75.5135-177.1-179.3-99.8000112.5V197 A198 Q205 I207 R276 P277V197-Y201 PolarHBondContact O-N 2.76Å; A198-Y201 WeakPolarHBondContact O-CB 3.42Å; A198-Y201 PolarHBondContact O-N 3.27Å; Y201-Q205 HydrophobicContact CD2-CB 4.47Å; Y201-Q205 HydrophobicContact CE2-CB 4.18Å; Y201-Q205 VanDerWaalsContact CE2-O 3.23Å; Y201-Q205 WeakPolarHBondContact CE2-O 3.46Å; Y201-Q205 PolarHBondContact OH-O 3.33Å; Y201-Q205 VanDerWaalsContact OH-O 3.12Å; Y201-I207 HydrophobicContact CE2-CB 4.39Å; Y201-I207 HydrophobicContact CE2-CG1 3.83Å; Y201-R276 HydrophobicContact CD1-CG 3.99Å; Y201-R276 HydrophobicContact CE1-CG 3.82Å; Y201-R276 PolarHBondContact O-NH2 3.43Å; Y201-P277 HydrophobicContact CD1-CG 3.72Å; Y201-P277 HydrophobicContact CD2-CG 3.92Å; Y201-P277 HydrophobicContact CE1-CG 4.38Å; Y201-P277 HydrophobicContact CG-CG 3.47Å; Y201-P277 VanDerWaalsContact CG-CG 3.47Å
202K95.5Very high95.7Very high74 Ų7460.3 Ų60.332%0.32232%0.317SS..  trans-126.4151172.5-63.7-64.3177.5-167.40112D162 H166 G204 Q205D162-K202 HydrophobicContact CB-CD 4.22Å; D162-K202 VanDerWaalsContact OD2-CD 3.31Å; D162-K202 WeakPolarHBondContact OD2-CD 3.13Å; H166-K202 PolarHBondContact CE1-NZ 2.87Å; H166-K202 PolarHBondContact NE2-NZ 3.37Å; K202-G204 PolarHBondContact O-N 3.25Å; K202-Q205 HydrophobicContact CB-CG 4.5Å; K202-Q205 WeakPolarHBondContact O-CB 3.41Å; K202-Q205 PolarHBondContact O-N 3.08Å; K202-Q205 VanDerWaalsContact O-N 3.14Å
203Y93.8Very high95.9Very high88 Ų8858.4 Ų58.435%0.34531%0.314SS..THydrogen-bonded Turntrans-53.4134.8177.7175.2-100.5000111.5I158 D162 Q205 Q452I158-Y203 HydrophobicContact CB-CE2 4.29Å; I158-Y203 HydrophobicContact CD1-CE2 3.78Å; I158-Y203 HydrophobicContact CG1-CD2 4.14Å; I158-Y203 HydrophobicContact CG1-CE2 3.72Å; I158-Y203 HydrophobicContact CG2-CD2 4.38Å; I158-Y203 HydrophobicContact CG2-CE1 3.92Å; I158-Y203 HydrophobicContact CG2-CE2 3.67Å; I158-Y203 VanDerWaalsContact CG2-CZ 3.4Å; I158-Y203 WeakPolarHBondContact CG2-OH 3.4Å; D162-Y203 PolarHBondContact OD1-N 2.88Å; D162-Y203 PolarHBondContact OD2-N 3.38Å; Y203-Q205 VanDerWaalsContact C-N 3.35Å; Y203-Q452 PolarHBondContact OH-OE1 3.5Å
204G93.3Very high96Very high66 Ų6663 Ų6368%0.6834%0.338SS*.THydrogen-bonded Turntrans89.7-10.6-179.200000114.9K202K202-G204 PolarHBondContact O-N 3.25Å
205Q96.9Very high96.1Very high95 Ų9568.3 Ų68.344%0.44436%0.363SS..SBendtrans-81.9149170.9-62.9175.1-15.600110.6Y201 K202 Y203Y201-Q205 HydrophobicContact CD2-CB 4.47Å; Y201-Q205 HydrophobicContact CE2-CB 4.18Å; Y201-Q205 VanDerWaalsContact CE2-O 3.23Å; Y201-Q205 WeakPolarHBondContact CE2-O 3.46Å; Y201-Q205 PolarHBondContact OH-O 3.33Å; Y201-Q205 VanDerWaalsContact OH-O 3.12Å; K202-Q205 HydrophobicContact CB-CG 4.5Å; K202-Q205 WeakPolarHBondContact O-CB 3.41Å; K202-Q205 PolarHBondContact O-N 3.08Å; K202-Q205 VanDerWaalsContact O-N 3.14Å; Y203-Q205 VanDerWaalsContact C-N 3.35Å
206P97.8Very high96.3Very high91 Ų9168.3 Ų68.359%0.59136%0.362SS*.PPolyproline II helixtrans-63.2142.716528.7-33.8000109.5
207I98.2Very high96.5Very high4 Ų465.5 Ų65.52%0.02135%0.349CS..PPolyproline II helixtrans-67.7128179.4-56.9170.8000108.8Y201 R209 L260 E261 V275 P277Y201-I207 HydrophobicContact CE2-CB 4.39Å; Y201-I207 HydrophobicContact CE2-CG1 3.83Å; I207-R209 PolarHBondContact O-N 3.04Å; I207-L260 HydrophobicContact CB-CB 4.5Å; I207-L260 HydrophobicContact CD1-CB 3.98Å; I207-L260 HydrophobicContact CG2-CB 3.85Å; I207-E261 HydrophobicContact CB-CB 4.14Å; I207-E261 PolarHBondContact N-OE2 2.86Å; I207-V275 HydrophobicContact CD1-CG2 3.84Å; I207-V275 WeakPolarHBondContact CD1-O 3.07Å; I207-P277 HydrophobicContact CG2-CB 4.33Å; I207-P277 HydrophobicContact CG2-CG 4Å
208P98Very high96.6Very high50 Ų5072 Ų7233%0.32538%0.375SS..PPolyproline II helixtrans-57.2127.3179.4-26.835.2000111.5V197 Q300V197-P208 HydrophobicContact CG1-CB 3.79Å; V197-P208 HydrophobicContact CG1-CG 3.98Å; P208-Q300 PolarHBondContact O-NE2 2.78Å; P208-Q300 VanDerWaalsContact O-NE2 3.1Å
209R98.2Very high96.8Very high134 Ų13472.1 Ų72.151%0.50638%0.375SS..PPolyproline II helixtrans-75.5142.6174.5-56.3-174.680.185.6-5.6109.4I207 Q259 D262I207-R209 PolarHBondContact O-N 3.04Å; R209-Q259 VanDerWaalsContact CA-OE1 3.31Å; R209-Q259 VanDerWaalsContact NH2-CG 3.34Å; R209-D262 IonicContact CZ-OD1 2.77Å; R209-D262 IonicContact CZ-OD2 3.56Å; R209-D262 VanDerWaalsContact NH1-CG 3.3Å; R209-D262 IonicContact NH1-OD1 3.24Å; R209-D262 PolarHBondContact NH1-OD1 3.48Å; R209-D262 IonicContact NH1-OD2 2.89Å; R209-D262 PolarHBondContact NH1-OD2 3.02Å; R209-D262 IonicContact NH2-OD1 2.75Å; R209-D262 IonicContact NH2-OD2 3.93Å; R209-D262 PolarHBondContact NH2-OD2 2.99Å
210V97.3Very high97.1Very high3 Ų369.1 Ų69.12%0.01836%0.361CS..  trans-113.6128.4-179.4177.80000110Y193 F194 Y212 Q259Y193-V210 HydrophobicContact CE1-CG1 3.92Å; Y193-V210 HydrophobicContact CE1-CG2 4.23Å; F194-V210 HydrophobicContact CD1-CG2 4.36Å; F194-V210 HydrophobicContact CE1-CB 4.24Å; F194-V210 HydrophobicContact CE1-CG1 3.66Å; F194-V210 HydrophobicContact CE1-CG2 3.89Å; F194-V210 HydrophobicContact CZ-CG1 3.97Å; V210-Y212 HydrophobicContact CB-CE2 4.25Å; V210-Y212 HydrophobicContact CG1-CD1 4.34Å; V210-Y212 HydrophobicContact CG1-CE1 4.32Å; V210-Y212 HydrophobicContact CG1-CG 4.47Å; V210-Y212 WeakPolarHBondContact O-CD2 3.29Å; V210-Y212 PolarHBondContact O-N 3.34Å; V210-Q259 PolarHBondContact O-NE2 2.75Å
211E97.6Very high97.3Very high175 Ų17566.9 Ų66.982%0.81834%0.337SS*.  trans-78.5100166.2-172.7175.1-175.400108.7R190R190-E211 PolarHBondContact NH2-O 3.41Å
212Y98.2Very high97.3Very high25 Ų2567.5 Ų67.510%0.09834%0.343CS..  trans-72.7142.2176-66.5-81.7000110.7F194 V210 E216 V257 Q300F194-Y212 HydrophobicContact CE1-CE1 4.29Å; F194-Y212 HydrophobicContact CZ-CD1 4.43Å; F194-Y212 HydrophobicContact CZ-CE1 4.06Å; V210-Y212 HydrophobicContact CB-CE2 4.25Å; V210-Y212 HydrophobicContact CG1-CD1 4.34Å; V210-Y212 HydrophobicContact CG1-CE1 4.32Å; V210-Y212 HydrophobicContact CG1-CG 4.47Å; V210-Y212 WeakPolarHBondContact O-CD2 3.29Å; V210-Y212 PolarHBondContact O-N 3.34Å; Y212-E216 WeakPolarHBondContact CA-OE2 3.48Å; Y212-E216 HydrophobicContact CD1-CB 4.32Å; Y212-V257 HydrophobicContact CD1-CG1 4.48Å; Y212-V257 HydrophobicContact CD1-CG2 4.43Å; Y212-V257 HydrophobicContact CD2-CB 3.59Å; Y212-V257 HydrophobicContact CD2-CG1 3.97Å; Y212-V257 HydrophobicContact CD2-CG2 4.14Å; Y212-V257 HydrophobicContact CE1-CG1 4.07Å; Y212-V257 HydrophobicContact CE2-CB 3.64Å; Y212-V257 HydrophobicContact CE2-CG1 3.49Å; Y212-V257 VanDerWaalsContact CE2-CG1 3.49Å; Y212-V257 HydrophobicContact CE2-CG2 4.49Å; Y212-V257 HydrophobicContact CG-CB 4.05Å; Y212-V257 HydrophobicContact CG-CG1 4.42Å; Y212-V257 HydrophobicContact CG-CG2 4.08Å; Y212-Q300 WeakPolarHBondContact CE1-O 3.43Å; Y212-Q300 PolarHBondContact OH-O 3.18Å
213T98Very high97.4Very high61 Ų6164 Ų6437%0.37433%0.328SS..  trans-71.7166.3177.676.30000111.3E215 E216 T217T213-E215 VanDerWaalsContact C-N 3.26Å; T213-E215 PolarHBondContact O-N 3.18Å; T213-E215 PolarHBondContact OG1-N 2.97Å; T213-E216 HydrophobicContact CG2-CG 4.48Å; T213-E216 PolarHBondContact N-OE2 3.48Å; T213-E216 PolarHBondContact O-N 3.36Å; T213-E216 VanDerWaalsContact OG1-CG 3.27Å; T213-E216 WeakPolarHBondContact OG1-CG 3.46Å; T213-E216 PolarHBondContact OG1-N 2.96Å; T213-E216 VanDerWaalsContact OG1-N 3.16Å; T213-T217 WeakPolarHBondContact O-CB 3.39Å; T213-T217 PolarHBondContact O-N 3Å; T213-T217 PolarHBondContact O-OG1 3.37Å
214E97.8Very high97.5Very high179 Ų17960.9 Ų60.984%0.83632%0.316SS*.Hα-helixtrans-59.8-37.1173.9-65.6-175.5175.600112.1K218E214-K218 VanDerWaalsContact O-CB 3.25Å; E214-K218 WeakPolarHBondContact O-CB 3.36Å; E214-K218 PolarHBondContact O-N 3.46Å
215E97Very high97.8Very high120 Ų12061.8 Ų61.856%0.56130%0.299SS*.Hα-helixtrans-68-42.6177.2-177177-175.700112.1T213 K218 T219T213-E215 VanDerWaalsContact C-N 3.26Å; T213-E215 PolarHBondContact O-N 3.18Å; T213-E215 PolarHBondContact OG1-N 2.97Å; E215-K218 PolarHBondContact O-N 3.1Å; E215-T219 WeakPolarHBondContact O-CB 3.38Å; E215-T219 PolarHBondContact O-N 3.37Å; E215-T219 PolarHBondContact O-OG1 2.9Å
216E98.1Very high97.7Very high16 Ų1659.8 Ų59.88%0.07529%0.29CS..Hα-helixtrans-61.6-49.3175.2-67.4175.2154.900109.8R190 Y212 T213 K218 T219 W220 I302R190-E216 VanDerWaalsContact CG-OE1 3.28Å; R190-E216 WeakPolarHBondContact CG-OE1 3.36Å; R190-E216 IonicContact CZ-OE1 3.27Å; R190-E216 IonicContact CZ-OE2 2.8Å; R190-E216 IonicContact NE-OE1 3.56Å; R190-E216 PolarHBondContact NE-OE1 3.41Å; R190-E216 IonicContact NE-OE2 2.77Å; R190-E216 IonicContact NH2-OE1 3.95Å; R190-E216 IonicContact NH2-OE2 3.64Å; R190-E216 PolarHBondContact NH2-OE2 3.37Å; Y212-E216 WeakPolarHBondContact CA-OE2 3.48Å; Y212-E216 HydrophobicContact CD1-CB 4.32Å; T213-E216 HydrophobicContact CG2-CG 4.48Å; T213-E216 PolarHBondContact N-OE2 3.48Å; T213-E216 PolarHBondContact O-N 3.36Å; T213-E216 VanDerWaalsContact OG1-CG 3.27Å; T213-E216 WeakPolarHBondContact OG1-CG 3.46Å; T213-E216 PolarHBondContact OG1-N 2.96Å; T213-E216 VanDerWaalsContact OG1-N 3.16Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 2.84Å; E216-T219 WeakPolarHBondContact O-CB 3.39Å; E216-T219 PolarHBondContact O-N 3.35Å; E216-T219 VanDerWaalsContact O-N 3.11Å; E216-W220 PolarHBondContact O-N 3.1Å; E216-I302 HydrophobicContact CB-CG2 3.69Å; E216-I302 HydrophobicContact CG-CG2 3.48Å; E216-I302 VanDerWaalsContact CG-CG2 3.48Å; E216-I302 WeakPolarHBondContact O-CD1 3.23Å
217T98.4Very high97.7Very high35 Ų3555.5 Ų55.522%0.21526%0.262CS..Hα-helixtrans-61-39.1178.2-55.30000112.1T213 W220 G221 D255T213-T217 WeakPolarHBondContact O-CB 3.39Å; T213-T217 PolarHBondContact O-N 3Å; T213-T217 PolarHBondContact O-OG1 3.37Å; T217-W220 WeakPolarHBondContact O-CB 3.45Å; T217-W220 PolarHBondContact O-N 3.25Å; T217-G221 PolarHBondContact O-N 3.06Å; T217-D255 WeakPolarHBondContact CG2-O 3.5Å
218K98.2Very high97.6Very high155 Ų15556.9 Ų56.967%0.67427%0.272SS*.Hα-helixtrans-64.7-41.9175-176.4-179.1178.6-175.80112.2E214 E215 E216 G221 V222E214-K218 VanDerWaalsContact O-CB 3.25Å; E214-K218 WeakPolarHBondContact O-CB 3.36Å; E214-K218 PolarHBondContact O-N 3.46Å; E215-K218 PolarHBondContact O-N 3.1Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 2.84Å; K218-G221 PolarHBondContact O-N 3.37Å; K218-V222 WeakPolarHBondContact O-CG2 3.43Å; K218-V222 PolarHBondContact O-N 3.33Å; K218-V222 VanDerWaalsContact O-N 3.08Å
219T97.6Very high97.5Very high9 Ų960.3 Ų60.36%0.05528%0.282CS..Hα-helixtrans-60.9-47.2177-60.70000110.5E215 E216 G221 V222 V223 I302 R303 G305 P308E215-T219 WeakPolarHBondContact O-CB 3.38Å; E215-T219 PolarHBondContact O-N 3.37Å; E215-T219 PolarHBondContact O-OG1 2.9Å; E216-T219 WeakPolarHBondContact O-CB 3.39Å; E216-T219 PolarHBondContact O-N 3.35Å; E216-T219 VanDerWaalsContact O-N 3.11Å; T219-G221 PolarHBondContact O-N 3.47Å; T219-V222 PolarHBondContact O-N 2.9Å; T219-V223 PolarHBondContact O-N 3.04Å; T219-I302 HydrophobicContact CG2-CD1 4.18Å; T219-I302 HydrophobicContact CG2-CG1 4.18Å; T219-R303 HydrophobicContact CG2-CG 3.75Å; T219-G305 WeakPolarHBondContact OG1-CA 3.33Å; T219-P308 HydrophobicContact CG2-CB 4.05Å
220W98Very high97.5Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-55.7-49.7172.7163.9-92.4000111.7E216 T217 V222 V223 F224 R253 N256 V257 P258 I302 L320 L321E216-W220 PolarHBondContact O-N 3.1Å; T217-W220 WeakPolarHBondContact O-CB 3.45Å; T217-W220 PolarHBondContact O-N 3.25Å; W220-V222 VanDerWaalsContact C-N 3.28Å; W220-V222 PolarHBondContact O-N 3.25Å; W220-V223 PolarHBondContact O-N 2.89Å; W220-V223 VanDerWaalsContact O-N 3.09Å; W220-F224 AromaticContact CE2-CD2 3.98Å; W220-F224 AromaticContact CZ2-CD2 3.67Å; W220-F224 HydrophobicContact CZ2-CD2 3.67Å; W220-F224 HydrophobicContact CZ2-CE2 4.29Å; W220-F224 VanDerWaalsContact O-CB 3.3Å; W220-F224 WeakPolarHBondContact O-CB 3.31Å; W220-F224 PolarHBondContact O-N 3.08Å; W220-R253 PolarHBondContact NE1-O 3.13Å; W220-N256 PolarHBondContact NE1-O 3.08Å; W220-V257 HydrophobicContact CB-CG2 3.67Å; W220-V257 HydrophobicContact CD2-CG1 4.48Å; W220-V257 HydrophobicContact CD2-CG2 4.19Å; W220-V257 HydrophobicContact CE3-CG1 4.27Å; W220-V257 HydrophobicContact CG-CG2 3.75Å; W220-P258 HydrophobicContact CH2-CG 4.01Å; W220-P258 HydrophobicContact CZ2-CG 3.94Å; W220-I302 HydrophobicContact CB-CD1 3.68Å; W220-L320 HydrophobicContact CH2-CB 3.96Å; W220-L320 HydrophobicContact CH2-CD1 4.06Å; W220-L320 HydrophobicContact CZ3-CB 4Å; W220-L320 HydrophobicContact CZ3-CD1 3.9Å; W220-L321 HydrophobicContact CH2-CD1 4.23Å; W220-L321 HydrophobicContact CH2-CD2 3.61Å; W220-L321 HydrophobicContact CH2-CG 3.79Å; W220-L321 HydrophobicContact CZ2-CD2 4.09Å; W220-L321 HydrophobicContact CZ3-CD1 4.16Å; W220-L321 HydrophobicContact CZ3-CD2 4.3Å; W220-L321 HydrophobicContact CZ3-CG 3.96Å
221G98.1Very high97.5Very high4 Ų455 Ų554%0.04126%0.263CS..Hα-helixtrans-58.8-38.3-178.400000113.3T217 K218 T219 R225 E254T217-G221 PolarHBondContact O-N 3.06Å; K218-G221 PolarHBondContact O-N 3.37Å; T219-G221 PolarHBondContact O-N 3.47Å; G221-R225 VanDerWaalsContact O-CB 3.22Å; G221-R225 WeakPolarHBondContact O-CB 3.38Å; G221-R225 PolarHBondContact O-N 2.95Å; G221-E254 WeakPolarHBondContact CA-O 3.24Å; G221-E254 WeakPolarHBondContact O-CG 3.3Å
222V97.6Very high97.5Very high33 Ų3350.5 Ų50.520%0.225%0.248CC..Hα-helixtrans-61.2-49.6174.1173.90000111.2K218 T219 W220 E226 P308 L309K218-V222 WeakPolarHBondContact O-CG2 3.43Å; K218-V222 PolarHBondContact O-N 3.33Å; K218-V222 VanDerWaalsContact O-N 3.08Å; T219-V222 PolarHBondContact O-N 2.9Å; W220-V222 VanDerWaalsContact C-N 3.28Å; W220-V222 PolarHBondContact O-N 3.25Å; V222-E226 WeakPolarHBondContact O-CG 3.41Å; V222-E226 PolarHBondContact O-N 3.05Å; V222-P308 HydrophobicContact CB-CB 4.27Å; V222-P308 HydrophobicContact CB-CG 4.48Å; V222-P308 HydrophobicContact CG1-CB 4.01Å; V222-P308 HydrophobicContact CG1-CG 3.87Å; V222-L309 HydrophobicContact CG1-CD2 3.9Å
223V96.5Very high97.4Very high2 Ų253.5 Ų53.51%0.01227%0.27CS..Hα-helixtrans-64.4-48.4-179.6178.50000111.1T219 W220 R225 E226 L227 P308 C317 L321T219-V223 PolarHBondContact O-N 3.04Å; W220-V223 PolarHBondContact O-N 2.89Å; W220-V223 VanDerWaalsContact O-N 3.09Å; V223-R225 VanDerWaalsContact C-N 3.35Å; V223-R225 PolarHBondContact O-N 3.42Å; V223-E226 PolarHBondContact O-N 2.93Å; V223-L227 HydrophobicContact CG1-CD1 3.58Å; V223-L227 HydrophobicContact CG1-CG 4.39Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.22Å; V223-L227 PolarHBondContact O-N 3.19Å; V223-P308 HydrophobicContact CG2-CB 4.38Å; V223-P308 WeakPolarHBondContact CG2-O 3.26Å; V223-C317 HydrophobicContact CG1-CB 4.11Å; V223-L321 HydrophobicContact CG1-CD1 3.95Å
224F97.8Very high97.4Very high21 Ų2152.1 Ų52.19%0.09226%0.259CS..Hα-helixtrans-54.7-49.7179-175.9-87.1000111.4W220 S228 F243 E254 L321W220-F224 AromaticContact CE2-CD2 3.98Å; W220-F224 AromaticContact CZ2-CD2 3.67Å; W220-F224 HydrophobicContact CZ2-CD2 3.67Å; W220-F224 HydrophobicContact CZ2-CE2 4.29Å; W220-F224 VanDerWaalsContact O-CB 3.3Å; W220-F224 WeakPolarHBondContact O-CB 3.31Å; W220-F224 PolarHBondContact O-N 3.08Å; F224-S228 WeakPolarHBondContact O-CB 3.22Å; F224-S228 PolarHBondContact O-N 3.24Å; F224-S228 PolarHBondContact O-OG 3.37Å; F224-F243 HydrophobicContact CE2-CE2 4.37Å; F224-F243 AromaticContact CE2-CZ 3.69Å; F224-F243 HydrophobicContact CE2-CZ 3.69Å; F224-F243 HydrophobicContact CZ-CE1 4.29Å; F224-F243 AromaticContact CZ-CZ 3.81Å; F224-F243 HydrophobicContact CZ-CZ 3.81Å; F224-E254 HydrophobicContact CD1-CB 3.99Å; F224-L321 HydrophobicContact CD2-CD2 3.85Å; F224-L321 HydrophobicContact CE2-CD2 4.24Å
225R97.7Very high97.4Very high86 Ų8643.6 Ų43.633%0.32522%0.219SC..Hα-helixtrans-63.7-46.7-178-178.6-178.960.1-116.3-4112.2G221 V223 K229 E254G221-R225 VanDerWaalsContact O-CB 3.22Å; G221-R225 WeakPolarHBondContact O-CB 3.38Å; G221-R225 PolarHBondContact O-N 2.95Å; V223-R225 VanDerWaalsContact C-N 3.35Å; V223-R225 PolarHBondContact O-N 3.42Å; R225-K229 WeakPolarHBondContact O-CG 3.27Å; R225-K229 PolarHBondContact O-N 3.43Å; R225-E254 HydrophobicContact CB-CG 4.46Å; R225-E254 IonicContact CZ-OE1 2.7Å; R225-E254 IonicContact NH1-OE1 2.7Å; R225-E254 PolarHBondContact NH1-OE1 3.21Å
226E96.2Very high97.4Very high53 Ų5337.9 Ų37.925%0.24819%0.192CC..Hα-helixtrans-71.1-38.2-176-65.3-46.4127.900112.6V222 V223 K229 I384V222-E226 WeakPolarHBondContact O-CG 3.41Å; V222-E226 PolarHBondContact O-N 3.05Å; V223-E226 PolarHBondContact O-N 2.93Å; E226-K229 IonicContact OE1-NZ 2.66Å; E226-K229 PolarHBondContact OE1-NZ 3.45Å; E226-K229 IonicContact OE2-NZ 3.51Å; E226-K229 PolarHBondContact OE2-NZ 2.74Å; E226-I384 HydrophobicContact CB-CD1 3.41Å; E226-I384 VanDerWaalsContact CB-CD1 3.41Å; E226-I384 HydrophobicContact CB-CG1 4.19Å; E226-I384 HydrophobicContact CG-CD1 4.19Å
227L96.4Very high97.3Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-71.3-39.1175.5-69.2170.1000112.3V223 K229 L230 Y231 L321 I384V223-L227 HydrophobicContact CG1-CD1 3.58Å; V223-L227 HydrophobicContact CG1-CG 4.39Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.22Å; V223-L227 PolarHBondContact O-N 3.19Å; L227-K229 PolarHBondContact O-N 2.53Å; L227-K229 VanDerWaalsContact O-N 3.15Å; L227-L230 WeakPolarHBondContact O-CA 3.2Å; L227-L230 PolarHBondContact O-N 3.4Å; L227-Y231 HydrophobicContact CB-CE1 3.91Å; L227-Y231 HydrophobicContact CB-CE2 4.06Å; L227-Y231 VanDerWaalsContact CB-CZ 3.49Å; L227-Y231 VanDerWaalsContact CB-OH 3.27Å; L227-Y231 WeakPolarHBondContact CB-OH 3.37Å; L227-Y231 PolarHBondContact O-N 3.47Å; L227-Y231 VanDerWaalsContact O-N 3.12Å; L227-L321 HydrophobicContact CD1-CD1 3.97Å; L227-I384 HydrophobicContact CD2-CG1 3.62Å; L227-I384 HydrophobicContact CG-CG1 4.04Å
228S96.6Very high97.3Very high33 Ų3344.8 Ų44.823%0.23122%0.215CC..Hα-helixtrans-59.1-28.7178.1-65.40000113.3F224 L230 P232F224-S228 WeakPolarHBondContact O-CB 3.22Å; F224-S228 PolarHBondContact O-N 3.24Å; F224-S228 PolarHBondContact O-OG 3.37Å; S228-L230 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 3.14Å; S228-P232 WeakPolarHBondContact O-CD 3.15Å
229K97.3Very high97.3Very high123 Ų12337.4 Ų37.454%0.53518%0.183SC..Hα-helixtrans-66.9-29.8172.7-67.7169.3-167.91680112.9R225 E226 L227R225-K229 WeakPolarHBondContact O-CG 3.27Å; R225-K229 PolarHBondContact O-N 3.43Å; E226-K229 IonicContact OE1-NZ 2.66Å; E226-K229 PolarHBondContact OE1-NZ 3.45Å; E226-K229 IonicContact OE2-NZ 3.51Å; E226-K229 PolarHBondContact OE2-NZ 2.74Å; L227-K229 PolarHBondContact O-N 2.53Å; L227-K229 VanDerWaalsContact O-N 3.15Å
230L96.8Very high97.3Very high21 Ų2139.9 Ų39.911%0.1120%0.195CC..Hα-helixtrans-90.8-32.5-175.1-61.8-179.9000112.9L227 S228 P232 T233 H234 I384 L387 K388L227-L230 WeakPolarHBondContact O-CA 3.2Å; L227-L230 PolarHBondContact O-N 3.4Å; S228-L230 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 3.14Å; L230-P232 VanDerWaalsContact C-CD 3.44Å; L230-T233 PolarHBondContact O-N 3.39Å; L230-T233 VanDerWaalsContact O-N 3.12Å; L230-T233 PolarHBondContact O-OG1 2.61Å; L230-T233 VanDerWaalsContact O-OG1 3.12Å; L230-H234 WeakPolarHBondContact O-CB 3.15Å; L230-H234 PolarHBondContact O-N 3.44Å; L230-H234 PolarHBondContact O-ND1 3.31Å; L230-I384 HydrophobicContact CD1-CB 4.5Å; L230-I384 HydrophobicContact CD1-CG2 3.99Å; L230-L387 HydrophobicContact CB-CD2 3.91Å; L230-L387 HydrophobicContact CD1-CD2 4.04Å; L230-K388 HydrophobicContact CD1-CG 4.3Å
231Y97.9Very high97.3Very high4 Ų446.1 Ų46.12%0.01622%0.223CC..Hα-helixtrans-50.9-45.7-173.5-61-36.7000115L227 T233 H234 A235 Y239 F243 L381L227-Y231 HydrophobicContact CB-CE1 3.91Å; L227-Y231 HydrophobicContact CB-CE2 4.06Å; L227-Y231 VanDerWaalsContact CB-CZ 3.49Å; L227-Y231 VanDerWaalsContact CB-OH 3.27Å; L227-Y231 WeakPolarHBondContact CB-OH 3.37Å; L227-Y231 PolarHBondContact O-N 3.47Å; L227-Y231 VanDerWaalsContact O-N 3.12Å; Y231-T233 PolarHBondContact O-N 3.44Å; Y231-T233 VanDerWaalsContact O-N 3.07Å; Y231-H234 PolarHBondContact O-N 3.49Å; Y231-A235 HydrophobicContact CD1-CB 4.27Å; Y231-A235 WeakPolarHBondContact O-CB 3.32Å; Y231-A235 PolarHBondContact O-N 3.39Å; Y231-Y239 AromaticContact CD1-CE1 3.91Å; Y231-Y239 HydrophobicContact CD1-CE1 3.91Å; Y231-Y239 AromaticContact CD2-CE1 3.73Å; Y231-Y239 HydrophobicContact CD2-CE1 3.73Å; Y231-Y239 HydrophobicContact CE1-CE1 4.12Å; Y231-Y239 AromaticContact CE1-CZ 3.9Å; Y231-Y239 AromaticContact CE2-CE1 3.96Å; Y231-Y239 HydrophobicContact CE2-CE1 3.96Å; Y231-Y239 AromaticContact CE2-CZ 3.99Å; Y231-Y239 VanDerWaalsContact CE2-OH 3.25Å; Y231-Y239 WeakPolarHBondContact CE2-OH 3.42Å; Y231-Y239 HydrophobicContact CG-CD1 4.47Å; Y231-Y239 AromaticContact CG-CE1 3.72Å; Y231-Y239 HydrophobicContact CG-CE1 3.72Å; Y231-Y239 AromaticContact CZ-CZ 3.8Å; Y231-Y239 PolarHBondContact OH-OH 3.23Å; Y231-F243 HydrophobicContact CD2-CE1 4.4Å; Y231-F243 HydrophobicContact CD2-CE2 4.32Å; Y231-F243 HydrophobicContact CD2-CZ 4.2Å; Y231-F243 HydrophobicContact CE2-CD2 4.41Å; Y231-F243 AromaticContact CE2-CE2 3.81Å; Y231-F243 HydrophobicContact CE2-CE2 3.81Å; Y231-F243 AromaticContact CE2-CZ 3.87Å; Y231-F243 HydrophobicContact CE2-CZ 3.87Å; Y231-L381 HydrophobicContact CD1-CD2 4.18Å; Y231-L381 HydrophobicContact CE1-CD2 4.2Å; Y231-L381 WeakPolarHBondContact CE1-O 3.27Å; Y231-L381 PolarHBondContact OH-O 3.1Å
232P97.1Very high97.3Very high80 Ų8046 Ų4652%0.51922%0.221SC..Hα-helixtrans-55.9-32.8-177.4-27.136.2000114S228 L230 R374S228-P232 WeakPolarHBondContact O-CD 3.15Å; L230-P232 VanDerWaalsContact C-CD 3.44Å; P232-R374 PolarHBondContact O-NH1 3.21Å
233T96.1Very high97.4Very high89 Ų8945.6 Ų45.655%0.54622%0.217SC..Hα-helixtrans-100.8-20.2-177.549.60000113.7L230 Y231 R374L230-T233 PolarHBondContact O-N 3.39Å; L230-T233 VanDerWaalsContact O-N 3.12Å; L230-T233 PolarHBondContact O-OG1 2.61Å; L230-T233 VanDerWaalsContact O-OG1 3.12Å; Y231-T233 PolarHBondContact O-N 3.44Å; Y231-T233 VanDerWaalsContact O-N 3.07Å; T233-R374 PolarHBondContact O-NH1 3.39Å
234H97.5Very high97.4Very high32 Ų3249.1 Ų49.115%0.14824%0.24CC..Hα-helixtrans-112-37.9-172.6-61.765.4000113.4L230 Y231 R374 A375 L387 L391L230-H234 WeakPolarHBondContact O-CB 3.15Å; L230-H234 PolarHBondContact O-N 3.44Å; L230-H234 PolarHBondContact O-ND1 3.31Å; Y231-H234 PolarHBondContact O-N 3.49Å; H234-R374 CarbonylContact O-C 3.58Å; H234-R374 WeakPolarHBondContact O-CA 3.32Å; H234-A375 PolarHBondContact O-N 3.49Å; H234-L387 HydrophobicContact CB-CD1 3.82Å; H234-L387 HydrophobicContact CB-CD2 3.87Å; H234-L387 HydrophobicContact CB-CG 3.78Å; H234-L391 HydrophobicContact CB-CD1 3.62Å
235A98Very high97.5Very high0 Ų050.1 Ų50.10%025%0.246CC..BIsolated β-bridgetrans-77.3153.4-175.500000112Y231 Y239 L240 R374 L381Y231-A235 HydrophobicContact CD1-CB 4.27Å; Y231-A235 WeakPolarHBondContact O-CB 3.32Å; Y231-A235 PolarHBondContact O-N 3.39Å; A235-Y239 HydrophobicContact CB-CD1 3.72Å; A235-Y239 HydrophobicContact CB-CE1 4.42Å; A235-Y239 HydrophobicContact CB-CG 3.91Å; A235-L240 HydrophobicContact CB-CD2 4.32Å; A235-L240 HydrophobicContact CB-CG 4.36Å; A235-R374 PolarHBondContact O-NH1 2.72Å; A235-L381 HydrophobicContact CB-CD2 3.64Å
236C97.4Very high97.5Very high0 Ų046 Ų460%023%0.23CC..  trans-69.1159.5173.265.20000112.6E238 Y239 L240 C367 R374 A375C236-E238 VanDerWaalsContact C-N 3.28Å; C236-E238 PolarHBondContact O-N 2.97Å; C236-Y239 WeakPolarHBondContact O-CB 3.38Å; C236-Y239 PolarHBondContact O-N 2.75Å; C236-L240 PolarHBondContact O-N 3.11Å; C236-L240 VanDerWaalsContact O-N 3.12Å; C236-C367 WeakPolarHBondContact CB-SG 3.31Å; C236-R374 HydrophobicContact CB-CB 4.12Å; C236-A375 PolarHBondContact N-O 3.15Å
237R97.2Very high97.6Very high165 Ų16546.2 Ų46.262%0.62324%0.235SC*.Hα-helixtrans-58.2-36.5-177.2-177177.661.3152.7-1.2113.4L240 K241R237-L240 PolarHBondContact O-N 2.92Å; R237-K241 WeakPolarHBondContact O-CB 3.17Å; R237-K241 PolarHBondContact O-N 3.3Å
238E97.5Very high97.6Very high31 Ų3153.2 Ų53.215%0.14527%0.265CS..Hα-helixtrans-64.6-42.1179.5-67.876-166.400110.9C236 K241 N242 L326 D329 Q369 F425C236-E238 VanDerWaalsContact C-N 3.28Å; C236-E238 PolarHBondContact O-N 2.97Å; E238-K241 PolarHBondContact O-N 3.06Å; E238-N242 PolarHBondContact O-N 3.34Å; E238-N242 PolarHBondContact O-ND2 2.93Å; E238-L326 HydrophobicContact CB-CD2 4.05Å; E238-D329 HydrophobicContact CB-CB 4.43Å; E238-Q369 PolarHBondContact OE2-NE2 3.29Å; E238-F425 HydrophobicContact CB-CE2 3.96Å; E238-F425 HydrophobicContact CG-CD2 4.34Å; E238-F425 HydrophobicContact CG-CE2 3.71Å
239Y98.2Very high97.7Very high0 Ų058.1 Ų58.10%028%0.28CS..Hα-helixtrans-58.5-51.9170.8-172.6-78000111Y231 A235 C236 K241 N242 F243 L321 P325 L326 L381Y231-Y239 AromaticContact CD1-CE1 3.91Å; Y231-Y239 HydrophobicContact CD1-CE1 3.91Å; Y231-Y239 AromaticContact CD2-CE1 3.73Å; Y231-Y239 HydrophobicContact CD2-CE1 3.73Å; Y231-Y239 HydrophobicContact CE1-CE1 4.12Å; Y231-Y239 AromaticContact CE1-CZ 3.9Å; Y231-Y239 AromaticContact CE2-CE1 3.96Å; Y231-Y239 HydrophobicContact CE2-CE1 3.96Å; Y231-Y239 AromaticContact CE2-CZ 3.99Å; Y231-Y239 VanDerWaalsContact CE2-OH 3.25Å; Y231-Y239 WeakPolarHBondContact CE2-OH 3.42Å; Y231-Y239 HydrophobicContact CG-CD1 4.47Å; Y231-Y239 AromaticContact CG-CE1 3.72Å; Y231-Y239 HydrophobicContact CG-CE1 3.72Å; Y231-Y239 AromaticContact CZ-CZ 3.8Å; Y231-Y239 PolarHBondContact OH-OH 3.23Å; A235-Y239 HydrophobicContact CB-CD1 3.72Å; A235-Y239 HydrophobicContact CB-CE1 4.42Å; A235-Y239 HydrophobicContact CB-CG 3.91Å; C236-Y239 WeakPolarHBondContact O-CB 3.38Å; C236-Y239 PolarHBondContact O-N 2.75Å; Y239-K241 PolarHBondContact O-N 3.31Å; Y239-N242 PolarHBondContact O-N 3.14Å; Y239-N242 VanDerWaalsContact O-N 3.08Å; Y239-F243 HydrophobicContact CD1-CB 4.22Å; Y239-F243 HydrophobicContact CE1-CB 3.96Å; Y239-F243 AromaticContact CE1-CD2 3.72Å; Y239-F243 HydrophobicContact CE1-CD2 3.72Å; Y239-F243 HydrophobicContact CE1-CE2 4.44Å; Y239-F243 AromaticContact CE1-CG 3.98Å; Y239-F243 HydrophobicContact CE1-CG 3.98Å; Y239-F243 AromaticContact CZ-CD2 3.89Å; Y239-F243 WeakPolarHBondContact O-CB 3.31Å; Y239-F243 PolarHBondContact O-N 3.32Å; Y239-L321 VanDerWaalsContact CE2-O 3.23Å; Y239-L321 WeakPolarHBondContact CE2-O 3.15Å; Y239-L321 PolarHBondContact OH-O 3.45Å; Y239-P325 HydrophobicContact CD2-CB 3.53Å; Y239-P325 HydrophobicContact CD2-CG 4.03Å; Y239-P325 HydrophobicContact CE2-CB 3.51Å; Y239-P325 HydrophobicContact CE2-CG 3.44Å; Y239-P325 VanDerWaalsContact CE2-CG 3.44Å; Y239-P325 HydrophobicContact CG-CB 4.09Å; Y239-L326 HydrophobicContact CD2-CG 4.46Å; Y239-L381 HydrophobicContact CD2-CD1 3.46Å; Y239-L381 VanDerWaalsContact CD2-CD1 3.46Å; Y239-L381 HydrophobicContact CD2-CD2 4.2Å; Y239-L381 HydrophobicContact CD2-CG 4.36Å; Y239-L381 HydrophobicContact CE2-CB 4.27Å; Y239-L381 HydrophobicContact CE2-CD1 3.67Å; Y239-L381 HydrophobicContact CE2-CD2 4.2Å; Y239-L381 HydrophobicContact CE2-CG 4.27Å; Y239-L381 HydrophobicContact CG-CD1 4.4Å
240L98Very high97.7Very high60 Ų6052.5 Ų52.531%0.31426%0.256SS..Hα-helixtrans-64.3-26.2-178-65.9177.4000113.4A235 C236 R237 P244A235-L240 HydrophobicContact CB-CD2 4.32Å; A235-L240 HydrophobicContact CB-CG 4.36Å; C236-L240 PolarHBondContact O-N 3.11Å; C236-L240 VanDerWaalsContact O-N 3.12Å; R237-L240 PolarHBondContact O-N 2.92Å; L240-P244 WeakPolarHBondContact O-CD 3.43Å; L240-P244 WeakPolarHBondContact O-CG 3.46Å
241K98Very high97.7Very high131 Ų13152.2 Ų52.257%0.5726%0.258SS*.Hα-helixtrans-73-39.2173.3179.2-174.8173.6-170.10112R237 E238 Y239R237-K241 WeakPolarHBondContact O-CB 3.17Å; R237-K241 PolarHBondContact O-N 3.3Å; E238-K241 PolarHBondContact O-N 3.06Å; Y239-K241 PolarHBondContact O-N 3.31Å
242N98.4Very high97.8Very high1 Ų152 Ų521%0.00526%0.257CS..Hα-helixtrans-89.4-31.5-173.3-70.9-28.1000113.2E238 Y239 L245 L246 R270 P325 A328 D329E238-N242 PolarHBondContact O-N 3.34Å; E238-N242 PolarHBondContact O-ND2 2.93Å; Y239-N242 PolarHBondContact O-N 3.14Å; Y239-N242 VanDerWaalsContact O-N 3.08Å; N242-L245 WeakPolarHBondContact O-CB 3.47Å; N242-L245 PolarHBondContact O-N 2.83Å; N242-L246 PolarHBondContact O-N 3.31Å; N242-L246 VanDerWaalsContact O-N 3.09Å; N242-R270 PolarHBondContact OD1-NH2 3.23Å; N242-P325 WeakPolarHBondContact CB-O 3.43Å; N242-P325 PolarHBondContact ND2-O 3.4Å; N242-A328 HydrophobicContact CB-CB 4.14Å; N242-D329 PolarHBondContact ND2-N 3.49Å
243F98.3Very high97.8Very high26 Ų2653.3 Ų53.311%0.11425%0.252CS..Hα-helixtrans-56.5-45.5-178.1-169.7-98.1000113.9F224 Y231 Y239 L245 L246 T247 Y252 L321 P325F224-F243 HydrophobicContact CE2-CE2 4.37Å; F224-F243 AromaticContact CE2-CZ 3.69Å; F224-F243 HydrophobicContact CE2-CZ 3.69Å; F224-F243 HydrophobicContact CZ-CE1 4.29Å; F224-F243 AromaticContact CZ-CZ 3.81Å; F224-F243 HydrophobicContact CZ-CZ 3.81Å; Y231-F243 HydrophobicContact CD2-CE1 4.4Å; Y231-F243 HydrophobicContact CD2-CE2 4.32Å; Y231-F243 HydrophobicContact CD2-CZ 4.2Å; Y231-F243 HydrophobicContact CE2-CD2 4.41Å; Y231-F243 AromaticContact CE2-CE2 3.81Å; Y231-F243 HydrophobicContact CE2-CE2 3.81Å; Y231-F243 AromaticContact CE2-CZ 3.87Å; Y231-F243 HydrophobicContact CE2-CZ 3.87Å; Y239-F243 HydrophobicContact CD1-CB 4.22Å; Y239-F243 HydrophobicContact CE1-CB 3.96Å; Y239-F243 AromaticContact CE1-CD2 3.72Å; Y239-F243 HydrophobicContact CE1-CD2 3.72Å; Y239-F243 HydrophobicContact CE1-CE2 4.44Å; Y239-F243 AromaticContact CE1-CG 3.98Å; Y239-F243 HydrophobicContact CE1-CG 3.98Å; Y239-F243 AromaticContact CZ-CD2 3.89Å; Y239-F243 WeakPolarHBondContact O-CB 3.31Å; Y239-F243 PolarHBondContact O-N 3.32Å; F243-L245 PolarHBondContact O-N 3.31Å; F243-L246 WeakPolarHBondContact O-CB 3.3Å; F243-L246 PolarHBondContact O-N 2.93Å; F243-L246 VanDerWaalsContact O-N 3.16Å; F243-T247 PolarHBondContact O-N 2.97Å; F243-Y252 HydrophobicContact CE2-CD1 4.18Å; F243-L321 HydrophobicContact CE2-CD2 4.16Å; F243-P325 HydrophobicContact CD2-CG 4.37Å
244P98.1Very high97.9Very high76 Ų7653.1 Ų53.149%0.49425%0.245SC..Hα-helixtrans-62.1-29.1175.5-23.835.2000113.9L240 K248L240-P244 WeakPolarHBondContact O-CD 3.43Å; L240-P244 WeakPolarHBondContact O-CG 3.46Å; P244-K248 WeakPolarHBondContact O-CB 3.42Å; P244-K248 PolarHBondContact O-N 3.32Å
245L98.3Very high97.9Very high42 Ų4256.6 Ų56.622%0.2226%0.264CS..Hα-helixtrans-73-39.2177.4-58.2173.2000110.8N242 F243 T247 K248 Y249 F266 R270N242-L245 WeakPolarHBondContact O-CB 3.47Å; N242-L245 PolarHBondContact O-N 2.83Å; F243-L245 PolarHBondContact O-N 3.31Å; L245-T247 VanDerWaalsContact C-N 3.33Å; L245-T247 PolarHBondContact O-N 2.97Å; L245-K248 PolarHBondContact O-N 2.76Å; L245-K248 VanDerWaalsContact O-N 3.16Å; L245-Y249 HydrophobicContact CB-CD2 4.34Å; L245-Y249 HydrophobicContact CD2-CE2 4.13Å; L245-Y249 WeakPolarHBondContact O-CB 3.26Å; L245-Y249 VanDerWaalsContact O-CD2 3.25Å; L245-Y249 WeakPolarHBondContact O-CD2 3.45Å; L245-Y249 PolarHBondContact O-N 3.43Å; L245-F266 HydrophobicContact CB-CE2 4.12Å; L245-F266 HydrophobicContact CB-CZ 3.84Å; L245-R270 VanDerWaalsContact CD1-NH1 3.27Å
246L98.4Very high97.9Very high0 Ų059.1 Ų59.10%028%0.278CS..Hα-helixtrans-63.4-38.5173.1-69.7166.9000111.8N242 F243 K248 C250 G251 Y252 F266 V324 P325N242-L246 PolarHBondContact O-N 3.31Å; N242-L246 VanDerWaalsContact O-N 3.09Å; F243-L246 WeakPolarHBondContact O-CB 3.3Å; F243-L246 PolarHBondContact O-N 2.93Å; F243-L246 VanDerWaalsContact O-N 3.16Å; L246-K248 VanDerWaalsContact C-N 3.33Å; L246-K248 PolarHBondContact O-N 2.86Å; L246-C250 HydrophobicContact CD2-CB 4.24Å; L246-C250 CarbonylContact O-C 3.02Å; L246-C250 WeakPolarHBondContact O-CA 3.14Å; L246-C250 WeakPolarHBondContact O-CB 3.42Å; L246-C250 PolarHBondContact O-N 3.49Å; L246-G251 PolarHBondContact O-N 3.02Å; L246-Y252 HydrophobicContact CB-CD1 3.93Å; L246-Y252 HydrophobicContact CB-CD2 3.78Å; L246-Y252 HydrophobicContact CB-CE1 4.09Å; L246-Y252 HydrophobicContact CB-CE2 3.97Å; L246-Y252 HydrophobicContact CB-CG 3.78Å; L246-Y252 HydrophobicContact CD1-CD1 4.46Å; L246-Y252 HydrophobicContact CD1-CE1 3.93Å; L246-Y252 HydrophobicContact CD2-CE2 4.03Å; L246-Y252 HydrophobicContact CG-CE1 4.49Å; L246-Y252 HydrophobicContact CG-CE2 4.44Å; L246-Y252 PolarHBondContact O-N 2.79Å; L246-F266 HydrophobicContact CD2-CD1 3.51Å; L246-F266 HydrophobicContact CD2-CE1 3.41Å; L246-F266 VanDerWaalsContact CD2-CE1 3.41Å; L246-F266 HydrophobicContact CD2-CG 4.34Å; L246-F266 HydrophobicContact CD2-CZ 4.19Å; L246-F266 HydrophobicContact CG-CE1 3.96Å; L246-F266 HydrophobicContact CG-CZ 4.41Å; L246-V324 HydrophobicContact CD1-CG1 3.98Å; L246-V324 HydrophobicContact CD2-CG1 3.8Å; L246-P325 HydrophobicContact CD1-CB 3.96Å; L246-P325 HydrophobicContact CD1-CG 3.67Å
247T97.7Very high98Very high57 Ų5759.3 Ų59.335%0.3528%0.279SS..Hα-helixtrans-60.5-43.5170.9-650000111.7F243 L245 Y252F243-T247 PolarHBondContact O-N 2.97Å; L245-T247 VanDerWaalsContact C-N 3.33Å; L245-T247 PolarHBondContact O-N 2.97Å; T247-Y252 WeakPolarHBondContact CB-O 3.44Å; T247-Y252 WeakPolarHBondContact CG2-O 3.48Å; T247-Y252 PolarHBondContact OG1-O 3.26Å; T247-Y252 VanDerWaalsContact OG1-O 3.06Å
248K97.8Very high98Very high146 Ų14651.4 Ų51.464%0.63525%0.249SC*.Hα-helixtrans-71.8-41.2-177.3-174.3175.3177.5-167.80113.7P244 L245 L246P244-K248 WeakPolarHBondContact O-CB 3.42Å; P244-K248 PolarHBondContact O-N 3.32Å; L245-K248 PolarHBondContact O-N 2.76Å; L245-K248 VanDerWaalsContact O-N 3.16Å; L246-K248 VanDerWaalsContact C-N 3.33Å; L246-K248 PolarHBondContact O-N 2.86Å
249Y98Very high98.1Very high137 Ų13751 Ų5154%0.53725%0.247SC..Hα-helixtrans-111.7-21.7-167.5-62.6-69.8000114.4L245 F266L245-Y249 HydrophobicContact CB-CD2 4.34Å; L245-Y249 HydrophobicContact CD2-CE2 4.13Å; L245-Y249 WeakPolarHBondContact O-CB 3.26Å; L245-Y249 VanDerWaalsContact O-CD2 3.25Å; L245-Y249 WeakPolarHBondContact O-CD2 3.45Å; L245-Y249 PolarHBondContact O-N 3.43Å; Y249-F266 HydrophobicContact CD2-CE2 4.21Å
250C98Very high98.1Very high5 Ų551 Ų513%0.03425%0.247CC..SBendtrans-1175.9-176.9-56.50000113.2L246 Y252 V263 F266L246-C250 HydrophobicContact CD2-CB 4.24Å; L246-C250 CarbonylContact O-C 3.02Å; L246-C250 WeakPolarHBondContact O-CA 3.14Å; L246-C250 WeakPolarHBondContact O-CB 3.42Å; L246-C250 PolarHBondContact O-N 3.49Å; C250-Y252 HydrophobicContact CB-CD2 3.8Å; C250-Y252 HydrophobicContact CB-CE2 3.79Å; C250-Y252 PolarHBondContact O-N 3.11Å; C250-V263 HydrophobicContact CB-CG2 4.12Å; C250-F266 WeakPolarHBondContact SG-CB 3.48Å; C250-F266 VanDerWaalsContact SG-CG 3.51Å
251G96.9Very high98.1Very high14 Ų1450.2 Ų50.214%0.14424%0.242CC..  trans7129.7175.900000114.6L246 R253 N256L246-G251 PolarHBondContact O-N 3.02Å; G251-R253 PolarHBondContact O-N 3.3Å; G251-N256 PolarHBondContact O-ND2 3.46Å
252Y98.3Very high98.1Very high1 Ų146.8 Ų46.80%0.00423%0.23CC..  trans-68.995.5174-79.4-133.7000110F243 L246 T247 C250 P258 V263 L320 L321 V324F243-Y252 HydrophobicContact CE2-CD1 4.18Å; L246-Y252 HydrophobicContact CB-CD1 3.93Å; L246-Y252 HydrophobicContact CB-CD2 3.78Å; L246-Y252 HydrophobicContact CB-CE1 4.09Å; L246-Y252 HydrophobicContact CB-CE2 3.97Å; L246-Y252 HydrophobicContact CB-CG 3.78Å; L246-Y252 HydrophobicContact CD1-CD1 4.46Å; L246-Y252 HydrophobicContact CD1-CE1 3.93Å; L246-Y252 HydrophobicContact CD2-CE2 4.03Å; L246-Y252 HydrophobicContact CG-CE1 4.49Å; L246-Y252 HydrophobicContact CG-CE2 4.44Å; L246-Y252 PolarHBondContact O-N 2.79Å; T247-Y252 WeakPolarHBondContact CB-O 3.44Å; T247-Y252 WeakPolarHBondContact CG2-O 3.48Å; T247-Y252 PolarHBondContact OG1-O 3.26Å; T247-Y252 VanDerWaalsContact OG1-O 3.06Å; C250-Y252 HydrophobicContact CB-CD2 3.8Å; C250-Y252 HydrophobicContact CB-CE2 3.79Å; C250-Y252 PolarHBondContact O-N 3.11Å; Y252-P258 HydrophobicContact CD1-CG 4.48Å; Y252-P258 HydrophobicContact CD2-CB 3.81Å; Y252-P258 HydrophobicContact CD2-CG 3.24Å; Y252-P258 HydrophobicContact CE2-CB 3.58Å; Y252-P258 HydrophobicContact CE2-CG 3.37Å; Y252-P258 HydrophobicContact CG-CG 3.83Å; Y252-V263 HydrophobicContact CE2-CG2 3.92Å; Y252-L320 HydrophobicContact CE1-CB 4.36Å; Y252-L320 VanDerWaalsContact CE1-O 3.28Å; Y252-L320 WeakPolarHBondContact CE1-O 3.46Å; Y252-L320 PolarHBondContact OH-O 3.49Å; Y252-L320 VanDerWaalsContact OH-O 3.13Å; Y252-L321 HydrophobicContact CD1-CD2 4.24Å; Y252-L321 HydrophobicContact CE1-CD2 4.31Å; Y252-V324 VanDerWaalsContact OH-CG1 3.29Å; Y252-V324 WeakPolarHBondContact OH-CG1 3.18Å
253R98Very high98.2Very high107 Ų10746.8 Ų46.840%0.40423%0.229SC..BIsolated β-bridgetrans-140.6158.8-179.8-57-167.9-51.7-83.6-0.5110.2W220 G251 D255 N256W220-R253 PolarHBondContact NE1-O 3.13Å; G251-R253 PolarHBondContact O-N 3.3Å; R253-D255 WeakPolarHBondContact CB-OD1 3.45Å; R253-D255 IonicContact CZ-OD1 2.92Å; R253-D255 IonicContact NE-OD1 2.75Å; R253-D255 PolarHBondContact NE-OD1 3.11Å; R253-D255 IonicContact NE-OD2 2.65Å; R253-D255 IonicContact NH2-OD1 2.69Å; R253-D255 IonicContact NH2-OD2 3.87Å; R253-D255 PolarHBondContact O-N 2.91Å; R253-N256 HydrophobicContact CB-CB 4.46Å; R253-N256 PolarHBondContact O-N 2.82Å
254E97.9Very high98.2Very high85 Ų8546 Ų4640%0.39723%0.227SC..THydrogen-bonded Turntrans-60.8-29.6178.4-170.4172.6158.700112.8G221 F224 R225G221-E254 WeakPolarHBondContact CA-O 3.24Å; G221-E254 WeakPolarHBondContact O-CG 3.3Å; F224-E254 HydrophobicContact CD1-CB 3.99Å; R225-E254 HydrophobicContact CB-CG 4.46Å; R225-E254 IonicContact CZ-OE1 2.7Å; R225-E254 IonicContact NH1-OE1 2.7Å; R225-E254 PolarHBondContact NH1-OE1 3.21Å
255D98.2Very high98.2Very high104 Ų10446.7 Ų46.756%0.55623%0.225SC*.THydrogen-bonded Turntrans-96.88.6-176.169.9-26.8000114.1T217 R253T217-D255 WeakPolarHBondContact CG2-O 3.5Å; R253-D255 WeakPolarHBondContact CB-OD1 3.45Å; R253-D255 IonicContact CZ-OD1 2.92Å; R253-D255 IonicContact NE-OD1 2.75Å; R253-D255 PolarHBondContact NE-OD1 3.11Å; R253-D255 IonicContact NE-OD2 2.65Å; R253-D255 IonicContact NH2-OD1 2.69Å; R253-D255 IonicContact NH2-OD2 3.87Å; R253-D255 PolarHBondContact O-N 2.91Å
256N98.3Very high98.2Very high54 Ų5445.5 Ų45.529%0.28922%0.218SC..BIsolated β-bridgetrans-152.4122.8-173.7179.774.5000112.4W220 G251 R253 P258W220-N256 PolarHBondContact NE1-O 3.08Å; G251-N256 PolarHBondContact O-ND2 3.46Å; R253-N256 HydrophobicContact CB-CB 4.46Å; R253-N256 PolarHBondContact O-N 2.82Å; N256-P258 WeakPolarHBondContact O-CD 3.35Å
257V98.5Very high98.2Very high3 Ų345.5 Ų45.52%0.01822%0.218CC..PPolyproline II helixtrans-78.3120.1169.3-171.20000109Y212 W220 T316 L320Y212-V257 HydrophobicContact CD1-CG1 4.48Å; Y212-V257 HydrophobicContact CD1-CG2 4.43Å; Y212-V257 HydrophobicContact CD2-CB 3.59Å; Y212-V257 HydrophobicContact CD2-CG1 3.97Å; Y212-V257 HydrophobicContact CD2-CG2 4.14Å; Y212-V257 HydrophobicContact CE1-CG1 4.07Å; Y212-V257 HydrophobicContact CE2-CB 3.64Å; Y212-V257 HydrophobicContact CE2-CG1 3.49Å; Y212-V257 VanDerWaalsContact CE2-CG1 3.49Å; Y212-V257 HydrophobicContact CE2-CG2 4.49Å; Y212-V257 HydrophobicContact CG-CB 4.05Å; Y212-V257 HydrophobicContact CG-CG1 4.42Å; Y212-V257 HydrophobicContact CG-CG2 4.08Å; W220-V257 HydrophobicContact CB-CG2 3.67Å; W220-V257 HydrophobicContact CD2-CG1 4.48Å; W220-V257 HydrophobicContact CD2-CG2 4.19Å; W220-V257 HydrophobicContact CE3-CG1 4.27Å; W220-V257 HydrophobicContact CG-CG2 3.75Å; V257-T316 HydrophobicContact CG1-CG2 4.13Å; V257-L320 HydrophobicContact CG1-CD1 4.4Å
258P98.5Very high98.2Very high0 Ų048.2 Ų48.20%023%0.225CC..PPolyproline II helixtrans-58.3144.8176.8-24.133.4000112.8W220 Y252 N256 V263 L320W220-P258 HydrophobicContact CH2-CG 4.01Å; W220-P258 HydrophobicContact CZ2-CG 3.94Å; Y252-P258 HydrophobicContact CD1-CG 4.48Å; Y252-P258 HydrophobicContact CD2-CB 3.81Å; Y252-P258 HydrophobicContact CD2-CG 3.24Å; Y252-P258 HydrophobicContact CE2-CB 3.58Å; Y252-P258 HydrophobicContact CE2-CG 3.37Å; Y252-P258 HydrophobicContact CG-CG 3.83Å; N256-P258 WeakPolarHBondContact O-CD 3.35Å; P258-V263 HydrophobicContact CB-CG2 4.07Å; P258-L320 HydrophobicContact CB-CD1 3.94Å; P258-L320 HydrophobicContact CG-CD1 4.03Å
259Q98.5Very high98.2Very high22 Ų2248.8 Ų48.810%0.10323%0.23CC..PPolyproline II helixtrans-89.5136.9175.7-63.5-67.4-33.200110.1R209 V210 E261 D262 V263R209-Q259 VanDerWaalsContact CA-OE1 3.31Å; R209-Q259 VanDerWaalsContact NH2-CG 3.34Å; V210-Q259 PolarHBondContact O-NE2 2.75Å; Q259-E261 PolarHBondContact O-N 3Å; Q259-D262 PolarHBondContact O-N 2.76Å; Q259-V263 PolarHBondContact O-N 3.12Å
260L98.5Very high98.2Very high0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-60.5-32.9-176.3-66.4-163.1000113.1I207 V263 S264 V275 C298 Q300 L320I207-L260 HydrophobicContact CB-CB 4.5Å; I207-L260 HydrophobicContact CD1-CB 3.98Å; I207-L260 HydrophobicContact CG2-CB 3.85Å; L260-V263 PolarHBondContact O-N 3.18Å; L260-S264 VanDerWaalsContact O-CB 3.27Å; L260-S264 WeakPolarHBondContact O-CB 3.5Å; L260-S264 PolarHBondContact O-N 2.93Å; L260-V275 HydrophobicContact CB-CG2 4.02Å; L260-V275 VanDerWaalsContact O-CG2 3.32Å; L260-V275 WeakPolarHBondContact O-CG2 3.49Å; L260-C298 HydrophobicContact CD1-CB 3.99Å; L260-C298 WeakPolarHBondContact CD2-SG 3.23Å; L260-Q300 HydrophobicContact CD1-CG 3.31Å; L260-Q300 HydrophobicContact CG-CG 3.82Å; L260-L320 HydrophobicContact CD2-CD2 3.82Å
261E98.4Very high98.2Very high44 Ų4446.6 Ų46.621%0.20622%0.222CC..Hα-helixtrans-60.1-47.1176.8-17960.9-171.400111.9I207 Q259 V263 S264 M265I207-E261 HydrophobicContact CB-CB 4.14Å; I207-E261 PolarHBondContact N-OE2 2.86Å; Q259-E261 PolarHBondContact O-N 3Å; E261-V263 VanDerWaalsContact C-N 3.3Å; E261-V263 PolarHBondContact O-N 3.05Å; E261-S264 PolarHBondContact O-N 2.88Å; E261-M265 WeakPolarHBondContact O-CG 3.37Å; E261-M265 PolarHBondContact O-N 3.26Å
262D98.5Very high98.3Very high59 Ų5947.5 Ų47.532%0.31623%0.231SC..Hα-helixtrans-66-38.4-179.5-56.1-24.6000110.8R209 Q259 F266R209-D262 IonicContact CZ-OD1 2.77Å; R209-D262 IonicContact CZ-OD2 3.56Å; R209-D262 VanDerWaalsContact NH1-CG 3.3Å; R209-D262 IonicContact NH1-OD1 3.24Å; R209-D262 PolarHBondContact NH1-OD1 3.48Å; R209-D262 IonicContact NH1-OD2 2.89Å; R209-D262 PolarHBondContact NH1-OD2 3.02Å; R209-D262 IonicContact NH2-OD1 2.75Å; R209-D262 IonicContact NH2-OD2 3.93Å; R209-D262 PolarHBondContact NH2-OD2 2.99Å; Q259-D262 PolarHBondContact O-N 2.76Å; D262-F266 WeakPolarHBondContact O-CB 3.45Å; D262-F266 PolarHBondContact O-N 2.97Å
263V98.6Very high98.3Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-67.2-42.1176172.50000111.4C250 Y252 P258 Q259 L260 E261 F266 L267 L320 V324C250-V263 HydrophobicContact CB-CG2 4.12Å; Y252-V263 HydrophobicContact CE2-CG2 3.92Å; P258-V263 HydrophobicContact CB-CG2 4.07Å; Q259-V263 PolarHBondContact O-N 3.12Å; L260-V263 PolarHBondContact O-N 3.18Å; E261-V263 VanDerWaalsContact C-N 3.3Å; E261-V263 PolarHBondContact O-N 3.05Å; V263-F266 PolarHBondContact O-N 3.26Å; V263-L267 HydrophobicContact CG1-CD1 4.02Å; V263-L267 HydrophobicContact CG1-CG 4.35Å; V263-L267 WeakPolarHBondContact O-CB 3.25Å; V263-L267 WeakPolarHBondContact O-CG 3.38Å; V263-L267 PolarHBondContact O-N 2.88Å; V263-L320 HydrophobicContact CG1-CD2 4.39Å; V263-L320 HydrophobicContact CG2-CD2 4.08Å; V263-V324 HydrophobicContact CG1-CB 4.35Å; V263-V324 HydrophobicContact CG1-CG1 3.55Å; V263-V324 HydrophobicContact CG1-CG2 3.79Å
264S98.5Very high98.3Very high10 Ų1043.8 Ų43.87%0.0722%0.22CC..Hα-helixtrans-61.6-46.8178.9-160.80000111L260 E261 L267 K268 T274 V275L260-S264 VanDerWaalsContact O-CB 3.27Å; L260-S264 WeakPolarHBondContact O-CB 3.5Å; L260-S264 PolarHBondContact O-N 2.93Å; E261-S264 PolarHBondContact O-N 2.88Å; S264-L267 PolarHBondContact O-N 3.23Å; S264-K268 WeakPolarHBondContact O-CB 3.23Å; S264-K268 PolarHBondContact O-N 3.26Å; S264-T274 WeakPolarHBondContact OG-CB 3.3Å; S264-V275 PolarHBondContact OG-N 3.37Å; S264-V275 VanDerWaalsContact OG-N 3.07Å; S264-V275 PolarHBondContact OG-O 3Å
265M98.3Very high98.3Very high91 Ų9139.8 Ų39.845%0.44820%0.202SC..Hα-helixtrans-62.6-44.1176.8-71.2-61.4-66.700111.8E261 K268 E269E261-M265 WeakPolarHBondContact O-CG 3.37Å; E261-M265 PolarHBondContact O-N 3.26Å; M265-K268 PolarHBondContact O-N 2.78Å; M265-E269 PolarHBondContact O-N 2.81Å
266F98.6Very high98.2Very high16 Ų1635.2 Ų35.27%0.0718%0.177CC..Hα-helixtrans-60.5-48.7175.2174.9-95.2000112.3L245 L246 Y249 C250 D262 V263 K268 E269 R270 A328L245-F266 HydrophobicContact CB-CE2 4.12Å; L245-F266 HydrophobicContact CB-CZ 3.84Å; L246-F266 HydrophobicContact CD2-CD1 3.51Å; L246-F266 HydrophobicContact CD2-CE1 3.41Å; L246-F266 VanDerWaalsContact CD2-CE1 3.41Å; L246-F266 HydrophobicContact CD2-CG 4.34Å; L246-F266 HydrophobicContact CD2-CZ 4.19Å; L246-F266 HydrophobicContact CG-CE1 3.96Å; L246-F266 HydrophobicContact CG-CZ 4.41Å; Y249-F266 HydrophobicContact CD2-CE2 4.21Å; C250-F266 WeakPolarHBondContact SG-CB 3.48Å; C250-F266 VanDerWaalsContact SG-CG 3.51Å; D262-F266 WeakPolarHBondContact O-CB 3.45Å; D262-F266 PolarHBondContact O-N 2.97Å; V263-F266 PolarHBondContact O-N 3.26Å; F266-K268 VanDerWaalsContact C-N 3.26Å; F266-K268 PolarHBondContact O-N 2.89Å; F266-E269 PolarHBondContact O-N 3.43Å; F266-R270 HydrophobicContact CD1-CG 4.23Å; F266-R270 HydrophobicContact CD2-CG 4.41Å; F266-R270 HydrophobicContact CE1-CG 3.92Å; F266-R270 HydrophobicContact CE2-CG 4.11Å; F266-R270 HydrophobicContact CG-CG 4.47Å; F266-R270 HydrophobicContact CZ-CG 3.86Å; F266-R270 WeakPolarHBondContact O-CG 3.37Å; F266-R270 PolarHBondContact O-N 2.89Å; F266-A328 HydrophobicContact CE1-CB 3.83Å
267L98.7Very high98.2Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-60.8-37.9178.6-73175.6000111.9V263 S264 E269 R270 S271 G272 F273 V275 V324 L327 A328V263-L267 HydrophobicContact CG1-CD1 4.02Å; V263-L267 HydrophobicContact CG1-CG 4.35Å; V263-L267 WeakPolarHBondContact O-CB 3.25Å; V263-L267 WeakPolarHBondContact O-CG 3.38Å; V263-L267 PolarHBondContact O-N 2.88Å; S264-L267 PolarHBondContact O-N 3.23Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 3.41Å; L267-R270 PolarHBondContact O-N 3.28Å; L267-S271 PolarHBondContact O-N 3.23Å; L267-S271 PolarHBondContact O-OG 3.27Å; L267-G272 PolarHBondContact O-N 2.88Å; L267-F273 CarbonylContact C-O 3.51Å; L267-F273 HydrophobicContact CB-CB 4.22Å; L267-F273 WeakPolarHBondContact CB-O 3.36Å; L267-V275 HydrophobicContact CD1-CG1 3.88Å; L267-V324 HydrophobicContact CD1-CG1 4.24Å; L267-V324 HydrophobicContact CD1-CG2 4.46Å; L267-V324 HydrophobicContact CD2-CG1 4.19Å; L267-V324 HydrophobicContact CG-CG1 4.35Å; L267-L327 HydrophobicContact CD1-CB 4.35Å; L267-L327 HydrophobicContact CD2-CB 3.86Å; L267-A328 HydrophobicContact CD2-CB 3.8Å
268K98.1Very high98Very high114 Ų11433 Ų3350%0.49617%0.165SC..Hα-helixtrans-61.5-42.7-179.2-171.6176.2-179176.80111.1S264 M265 F266 R270 G272 F273 T274S264-K268 WeakPolarHBondContact O-CB 3.23Å; S264-K268 PolarHBondContact O-N 3.26Å; M265-K268 PolarHBondContact O-N 2.78Å; F266-K268 VanDerWaalsContact C-N 3.26Å; F266-K268 PolarHBondContact O-N 2.89Å; K268-R270 VanDerWaalsContact C-N 3.29Å; K268-R270 PolarHBondContact O-N 3.49Å; K268-G272 WeakPolarHBondContact O-CA 3.43Å; K268-G272 PolarHBondContact O-N 3.18Å; K268-G272 VanDerWaalsContact O-N 3.14Å; K268-F273 WeakPolarHBondContact CA-O 3.11Å; K268-F273 PolarHBondContact N-O 2.8Å; K268-T274 HydrophobicContact CB-CG2 4.03Å; K268-T274 HydrophobicContact CD-CG2 4.13Å; K268-T274 HydrophobicContact CG-CG2 4.2Å
269E97.7Very high97.6Very high159 Ų15933.2 Ų33.274%0.74317%0.167SC*.Hα-helixtrans-69.2-25.8176.5-68.7-177.817900113.4M265 F266 L267M265-E269 PolarHBondContact O-N 2.81Å; F266-E269 PolarHBondContact O-N 3.43Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 3.41Å
270R97.9Very high97Very high85 Ų8532.3 Ų32.332%0.32116%0.164SC..Hα-helixtrans-91.1-46-172.7-66.9-64-63.7-142-13.2113.9N242 L245 F266 L267 K268 A328N242-R270 PolarHBondContact OD1-NH2 3.23Å; L245-R270 VanDerWaalsContact CD1-NH1 3.27Å; F266-R270 HydrophobicContact CD1-CG 4.23Å; F266-R270 HydrophobicContact CD2-CG 4.41Å; F266-R270 HydrophobicContact CE1-CG 3.92Å; F266-R270 HydrophobicContact CE2-CG 4.11Å; F266-R270 HydrophobicContact CG-CG 4.47Å; F266-R270 HydrophobicContact CZ-CG 3.86Å; F266-R270 WeakPolarHBondContact O-CG 3.37Å; F266-R270 PolarHBondContact O-N 2.89Å; L267-R270 PolarHBondContact O-N 3.28Å; K268-R270 VanDerWaalsContact C-N 3.29Å; K268-R270 PolarHBondContact O-N 3.49Å; R270-A328 HydrophobicContact CB-CB 4.37Å
271S97.6Very high96.3Very high10 Ų1033 Ų337%0.0717%0.166CC..Hα-helixtrans-138.8-1.2-172.765.90000113.1L267 F273 R294 L327L267-S271 PolarHBondContact O-N 3.23Å; L267-S271 PolarHBondContact O-OG 3.27Å; S271-F273 PolarHBondContact O-N 3.13Å; S271-F273 PolarHBondContact OG-N 2.88Å; S271-R294 PolarHBondContact O-NH1 2.85Å; S271-L327 VanDerWaalsContact CB-O 3.27Å; S271-L327 WeakPolarHBondContact CB-O 3.38Å; S271-L327 PolarHBondContact OG-O 3.3Å
272G97.7Very high95.8Very high33 Ų3331 Ų3134%0.3416%0.157SC..SBendtrans76.33.6-17200000113.9L267 K268L267-G272 PolarHBondContact O-N 2.88Å; K268-G272 WeakPolarHBondContact O-CA 3.43Å; K268-G272 PolarHBondContact O-N 3.18Å; K268-G272 VanDerWaalsContact O-N 3.14Å
273F98.3Very high95.3Very high0 Ų029.3 Ų29.30%015%0.15CC..  trans-72.7148.7170.8-98.8-102.9000111.8L267 K268 S271 L291 R294 F296 L327 A333L267-F273 CarbonylContact C-O 3.51Å; L267-F273 HydrophobicContact CB-CB 4.22Å; L267-F273 WeakPolarHBondContact CB-O 3.36Å; K268-F273 WeakPolarHBondContact CA-O 3.11Å; K268-F273 PolarHBondContact N-O 2.8Å; S271-F273 PolarHBondContact O-N 3.13Å; S271-F273 PolarHBondContact OG-N 2.88Å; F273-L291 HydrophobicContact CE1-CD2 4.31Å; F273-R294 CarbonylContact C-O 3.51Å; F273-R294 WeakPolarHBondContact CA-O 3.46Å; F273-R294 HydrophobicContact CB-CB 4.42Å; F273-R294 VanDerWaalsContact CD1-C 3.48Å; F273-R294 HydrophobicContact CD1-CB 4.15Å; F273-R294 VanDerWaalsContact CD1-O 3.24Å; F273-R294 WeakPolarHBondContact CD1-O 3.49Å; F273-R294 HydrophobicContact CD2-CB 3.48Å; F273-R294 VanDerWaalsContact CD2-CB 3.48Å; F273-R294 HydrophobicContact CD2-CG 3.76Å; F273-R294 HydrophobicContact CE1-CB 4.26Å; F273-R294 HydrophobicContact CE2-CB 3.59Å; F273-R294 HydrophobicContact CE2-CG 3.54Å; F273-R294 HydrophobicContact CG-CB 3.78Å; F273-R294 WeakPolarHBondContact CG-O 3.25Å; F273-R294 HydrophobicContact CZ-CB 4Å; F273-R294 HydrophobicContact CZ-CG 4.18Å; F273-F296 HydrophobicContact CD1-CB 4.33Å; F273-L327 HydrophobicContact CD1-CD1 4.3Å; F273-L327 HydrophobicContact CD1-CD2 3.87Å; F273-L327 HydrophobicContact CE1-CD2 3.78Å; F273-L327 HydrophobicContact CG-CD2 4.3Å; F273-L327 HydrophobicContact CZ-CD2 4.15Å; F273-A333 HydrophobicContact CD2-CB 3.58Å; F273-A333 HydrophobicContact CE2-CB 3.66Å; F273-A333 VanDerWaalsContact CE2-O 3.31Å; F273-A333 WeakPolarHBondContact CE2-O 3.26Å
274T98.4Very high95Very high30 Ų3030 Ų3018%0.18415%0.154CC..EExtended strand (participates in β ladder)trans-129.9156.8168.551.80000108.9S264 K268 R294 V295 F296S264-T274 WeakPolarHBondContact OG-CB 3.3Å; K268-T274 HydrophobicContact CB-CG2 4.03Å; K268-T274 HydrophobicContact CD-CG2 4.13Å; K268-T274 HydrophobicContact CG-CG2 4.2Å; T274-R294 PolarHBondContact N-O 3.21Å; T274-V295 WeakPolarHBondContact O-CA 3.45Å; T274-F296 PolarHBondContact O-N 3.5Å
275V97.8Very high94.7Very high2 Ų230.6 Ų30.61%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-99.4153.1169.1-66.20000110.4I207 L260 S264 L267 F296 C298I207-V275 HydrophobicContact CD1-CG2 3.84Å; I207-V275 WeakPolarHBondContact CD1-O 3.07Å; L260-V275 HydrophobicContact CB-CG2 4.02Å; L260-V275 VanDerWaalsContact O-CG2 3.32Å; L260-V275 WeakPolarHBondContact O-CG2 3.49Å; S264-V275 PolarHBondContact OG-N 3.37Å; S264-V275 VanDerWaalsContact OG-N 3.07Å; S264-V275 PolarHBondContact OG-O 3Å; L267-V275 HydrophobicContact CD1-CG1 3.88Å; V275-F296 CarbonylContact C-O 3.01Å; V275-F296 VanDerWaalsContact CA-O 3.26Å; V275-F296 WeakPolarHBondContact CA-O 3.36Å; V275-F296 HydrophobicContact CG1-CB 4.43Å; V275-C298 HydrophobicContact CB-CB 4.18Å; V275-C298 HydrophobicContact CG1-CB 4.37Å
276R97.5Very high94.4Very high8 Ų826.7 Ų26.73%0.0314%0.136CC..EExtended strand (participates in β ladder)trans-129.7129.1174.2176.6176.6-179.197.77.5109.1D162 S165 Y201 V278 V295 F296 H297 C298D162-R276 IonicContact OD1-CZ 3.79Å; D162-R276 IonicContact OD1-NH1 2.75Å; D162-R276 PolarHBondContact OD1-NH1 3.12Å; D162-R276 IonicContact OD1-NH2 3.16Å; D162-R276 PolarHBondContact OD1-NH2 3.31Å; S165-R276 VanDerWaalsContact CB-NE 3.31Å; S165-R276 PolarHBondContact OG-NE 3.26Å; S165-R276 PolarHBondContact OG-NH2 3.32Å; Y201-R276 HydrophobicContact CD1-CG 3.99Å; Y201-R276 HydrophobicContact CE1-CG 3.82Å; Y201-R276 PolarHBondContact O-NH2 3.43Å; R276-V278 PolarHBondContact O-N 3.44Å; R276-V295 HydrophobicContact CB-CG1 3.67Å; R276-F296 PolarHBondContact N-O 3.05Å; R276-H297 CarbonylContact O-C 3.52Å; R276-H297 WeakPolarHBondContact O-CA 3.41Å; R276-C298 PolarHBondContact O-N 3.26Å
277P97Very high94.2Very high1 Ų127 Ų271%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-62.1134.4176.228.6-36.3000110.4A198 Y201 I207 C298 Q300A198-P277 HydrophobicContact CB-CB 4.31Å; Y201-P277 HydrophobicContact CD1-CG 3.72Å; Y201-P277 HydrophobicContact CD2-CG 3.92Å; Y201-P277 HydrophobicContact CE1-CG 4.38Å; Y201-P277 HydrophobicContact CG-CG 3.47Å; Y201-P277 VanDerWaalsContact CG-CG 3.47Å; I207-P277 HydrophobicContact CG2-CB 4.33Å; I207-P277 HydrophobicContact CG2-CG 4Å; P277-C298 CarbonylContact C-O 3.56Å; P277-C298 VanDerWaalsContact CA-O 3.31Å; P277-C298 WeakPolarHBondContact CA-O 3.27Å; P277-Q300 HydrophobicContact CB-CG 4.48Å
278V94.7Very high94.1Very high10 Ų1027 Ų276%0.06114%0.137CC..  trans-128.5141.4174.774.40000110.1R276 G280 L282 H297 C298 T299R276-V278 PolarHBondContact O-N 3.44Å; V278-G280 VanDerWaalsContact C-N 3.31Å; V278-G280 VanDerWaalsContact CG2-O 3.31Å; V278-G280 WeakPolarHBondContact CG2-O 3.19Å; V278-G280 PolarHBondContact O-N 3.28Å; V278-L282 HydrophobicContact CG2-CD1 3.94Å; V278-L282 HydrophobicContact CG2-CD2 3.86Å; V278-L282 HydrophobicContact CG2-CG 3.75Å; V278-H297 HydrophobicContact CB-CB 4.03Å; V278-H297 HydrophobicContact CG1-CB 4.05Å; V278-H297 HydrophobicContact CG2-CB 4.44Å; V278-C298 PolarHBondContact N-O 2.77Å; V278-T299 HydrophobicContact CG1-CG2 4.02Å
279A90.5Very high94Very high4 Ų421.7 Ų21.73%0.03312%0.115CC..SBendtrans-74.6-24.7-174.600000113.1V168 V195 A198 M199V168-A279 HydrophobicContact CG2-CB 4.09Å; V195-A279 HydrophobicContact CB-CB 4.15Å; V195-A279 HydrophobicContact CG1-CB 3.98Å; V195-A279 HydrophobicContact CG2-CB 4.07Å; A198-A279 HydrophobicContact CB-CB 3.92Å; M199-A279 HydrophobicContact CE-CB 4.2Å
280G86.3Confident94Very high3 Ų314.1 Ų14.13%0.0318%0.079CC..SBendtrans-179.7-153.7-174.800000110.2V278V278-G280 VanDerWaalsContact C-N 3.31Å; V278-G280 VanDerWaalsContact CG2-O 3.31Å; V278-G280 WeakPolarHBondContact CG2-O 3.19Å; V278-G280 PolarHBondContact O-N 3.28Å
281Y83.6Confident94Very high13 Ų1310.1 Ų10.15%0.0516%0.064CC..EExtended strand (participates in β ladder)trans-75.9131.6-175.4-68.8-97.4000112.1P3 A4 V168 L169 M170 Y171 P312 P314P3-Y281 PolarHBondContact O-OH 3.25Å; A4-Y281 WeakPolarHBondContact CA-OH 3.46Å; A4-Y281 PolarHBondContact N-OH 3.02Å; A4-Y281 WeakPolarHBondContact O-CE1 3.46Å; V168-Y281 CarbonylContact C-O 3.49Å; V168-Y281 WeakPolarHBondContact CA-O 3.24Å; L169-Y281 PolarHBondContact N-O 3.37Å; M170-Y281 HydrophobicContact CB-CD2 4.22Å; M170-Y281 PolarHBondContact O-N 3.25Å; Y171-Y281 AromaticContact CD2-CD2 3.3Å; Y171-Y281 HydrophobicContact CD2-CD2 3.3Å; Y171-Y281 AromaticContact CD2-CE2 2.99Å; Y171-Y281 HydrophobicContact CD2-CE2 2.99Å; Y171-Y281 HydrophobicContact CD2-CG 4.46Å; Y171-Y281 AromaticContact CD2-CZ 3.98Å; Y171-Y281 HydrophobicContact CE2-CD2 4.22Å; Y171-Y281 AromaticContact CE2-CE2 3.66Å; Y171-Y281 HydrophobicContact CE2-CE2 3.66Å; Y171-Y281 AromaticContact CG-CD2 4Å; Y171-Y281 HydrophobicContact CG-CD2 4Å; Y171-Y281 AromaticContact CG-CE2 3.7Å; Y171-Y281 HydrophobicContact CG-CE2 3.7Å; Y281-P312 PolarHBondContact OH-O 3.41Å; Y281-P314 HydrophobicContact CE1-CG 3.77Å; Y281-P314 HydrophobicContact CE2-CG 4.11Å; Y281-P314 VanDerWaalsContact CZ-CD 3.42Å; Y281-P314 VanDerWaalsContact OH-CD 3.28Å; Y281-P314 WeakPolarHBondContact OH-CD 3.32Å
282L87.8Confident94Very high4 Ų49.7 Ų9.72%0.0216%0.061CC..EExtended strand (participates in β ladder)trans-90.6167.7168.2-59.9177.5000110.5V168 V278 D286 F287 H297V168-L282 HydrophobicContact CG2-CD2 4.04Å; V278-L282 HydrophobicContact CG2-CD1 3.94Å; V278-L282 HydrophobicContact CG2-CD2 3.86Å; V278-L282 HydrophobicContact CG2-CG 3.75Å; L282-D286 HydrophobicContact CB-CB 4.11Å; L282-F287 HydrophobicContact CB-CB 4.28Å; L282-H297 HydrophobicContact CD1-CB 4.21Å
283S88.4Confident94Very high23 Ų238.3 Ų8.316%0.1615%0.046CC..PPolyproline II helixtrans-60.4150.4166.577.70000110.4L169 R285 D286 F287L169-S283 VanDerWaalsContact CD1-CA 3.43Å; S283-R285 PolarHBondContact O-N 3.18Å; S283-D286 PolarHBondContact O-N 3.09Å; S283-D286 VanDerWaalsContact O-N 3.15Å; S283-D286 WeakPolarHBondContact OG-CB 3.42Å; S283-D286 PolarHBondContact OG-N 2.8Å; S283-D286 PolarHBondContact OG-OD2 3.18Å; S283-F287 WeakPolarHBondContact O-CB 3.29Å; S283-F287 PolarHBondContact O-N 3.2Å
284P90.4Very high94Very high14 Ų1411.3 Ų11.39%0.0916%0.057CC..Hα-helixtrans-51.9-39.1172.6-29.136.4000112.8M7 L288 V351 A355M7-P284 HydrophobicContact CB-CG 4.22Å; M7-P284 HydrophobicContact CE-CB 4.45Å; M7-P284 VanDerWaalsContact O-CG 3.23Å; M7-P284 WeakPolarHBondContact O-CG 3.2Å; P284-L288 VanDerWaalsContact O-CB 3.23Å; P284-L288 WeakPolarHBondContact O-CB 3.34Å; P284-L288 WeakPolarHBondContact O-CG 3.36Å; P284-L288 PolarHBondContact O-N 3.08Å; P284-V351 HydrophobicContact CB-CG1 3.9Å; P284-A355 HydrophobicContact CB-CB 4.04Å
285R93.4Very high94Very high22 Ų2210.1 Ų10.18%0.0835%0.05CC..Hα-helixtrans-60.1-51.7176.7-179.8175.7-64.4-71.4-1.5111.8S283 A289 A346 D348 V351S283-R285 PolarHBondContact O-N 3.18Å; R285-A289 VanDerWaalsContact O-CB 3.23Å; R285-A289 WeakPolarHBondContact O-CB 3.34Å; R285-A289 PolarHBondContact O-N 3.21Å; R285-A346 VanDerWaalsContact CZ-O 3.24Å; R285-A346 PolarHBondContact NH1-O 2.86Å; R285-A346 PolarHBondContact NH2-O 3.38Å; R285-D348 IonicContact CZ-OD1 2.75Å; R285-D348 IonicContact NE-OD1 3.63Å; R285-D348 PolarHBondContact NE-OD1 2.99Å; R285-D348 IonicContact NH2-OD1 3.39Å; R285-D348 PolarHBondContact NH2-OD1 3.09Å; R285-V351 HydrophobicContact CB-CG1 4.19Å
286D92.1Very high94Very high9 Ų910.2 Ų10.25%0.0485%0.05CC..Hα-helixtrans-67.6-41.6-177.6-70.9-46.8000112.2C164 L282 S283 G290C164-D286 HydrophobicContact CB-CB 4Å; C164-D286 WeakPolarHBondContact CB-OD1 3.35Å; C164-D286 PolarHBondContact SG-OD1 3.32Å; L282-D286 HydrophobicContact CB-CB 4.11Å; S283-D286 PolarHBondContact O-N 3.09Å; S283-D286 VanDerWaalsContact O-N 3.15Å; S283-D286 WeakPolarHBondContact OG-CB 3.42Å; S283-D286 PolarHBondContact OG-N 2.8Å; S283-D286 PolarHBondContact OG-OD2 3.18Å; D286-G290 PolarHBondContact O-N 2.94Å
287F94.5Very high93.9Very high22 Ų229.9 Ų9.910%0.0965%0.049CC..Hα-helixtrans-64.6-51177.9-178.4-92.7000111.4M7 L282 S283 A289 G290 L291 F296 H297 Y358M7-F287 HydrophobicContact CE-CB 3.75Å; M7-F287 HydrophobicContact CE-CD1 3.75Å; M7-F287 HydrophobicContact CE-CG 3.8Å; L282-F287 HydrophobicContact CB-CB 4.28Å; S283-F287 WeakPolarHBondContact O-CB 3.29Å; S283-F287 PolarHBondContact O-N 3.2Å; F287-A289 VanDerWaalsContact C-N 3.32Å; F287-A289 PolarHBondContact O-N 2.9Å; F287-G290 PolarHBondContact O-N 2.86Å; F287-G290 VanDerWaalsContact O-N 3.12Å; F287-L291 HydrophobicContact CE1-CD1 4.31Å; F287-F296 HydrophobicContact CE2-CE2 4.34Å; F287-F296 HydrophobicContact CZ-CD2 4.19Å; F287-F296 AromaticContact CZ-CE2 3.62Å; F287-F296 HydrophobicContact CZ-CE2 3.62Å; F287-F296 HydrophobicContact CZ-CZ 4.08Å; F287-H297 HydrophobicContact CD2-CB 4.01Å; F287-H297 HydrophobicContact CE2-CB 4.07Å; F287-Y358 HydrophobicContact CE1-CE1 4.15Å; F287-Y358 AromaticContact CE1-CE2 3.89Å; F287-Y358 HydrophobicContact CE1-CE2 3.89Å; F287-Y358 AromaticContact CE1-CZ 3.61Å
288L95.9Very high93.9Very high0 Ų09.9 Ų9.90%05%0.049CC..Hα-helixtrans-64.8-36.2-179.9-66.9178.7000111.7P284 G290 L291 I339 G340 S343 V351 L354 A355 Y358P284-L288 VanDerWaalsContact O-CB 3.23Å; P284-L288 WeakPolarHBondContact O-CB 3.34Å; P284-L288 WeakPolarHBondContact O-CG 3.36Å; P284-L288 PolarHBondContact O-N 3.08Å; L288-G290 PolarHBondContact O-N 3.25Å; L288-L291 HydrophobicContact CD2-CD1 3.81Å; L288-L291 WeakPolarHBondContact O-CB 3.33Å; L288-L291 PolarHBondContact O-N 3.35Å; L288-I339 HydrophobicContact CD2-CG2 3.92Å; L288-G340 WeakPolarHBondContact O-CA 3.26Å; L288-S343 WeakPolarHBondContact CB-OG 3.49Å; L288-V351 HydrophobicContact CD1-CG1 4.46Å; L288-L354 HydrophobicContact CD1-CB 4.01Å; L288-A355 HydrophobicContact CD1-CB 4.36Å; L288-Y358 HydrophobicContact CD2-CD2 3.9Å; L288-Y358 HydrophobicContact CD2-CG 4.17Å
289A96.3Very high93.9Very high3 Ų39.4 Ų9.43%0.0255%0.046CC..Hα-helixtrans-56.8-37.617400000111.9P155 R285 F287 L291 A292 Y293 S343 L344P155-A289 HydrophobicContact CG-CB 4.14Å; R285-A289 VanDerWaalsContact O-CB 3.23Å; R285-A289 WeakPolarHBondContact O-CB 3.34Å; R285-A289 PolarHBondContact O-N 3.21Å; F287-A289 VanDerWaalsContact C-N 3.32Å; F287-A289 PolarHBondContact O-N 2.9Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 PolarHBondContact O-N 2.89Å; A289-A292 VanDerWaalsContact O-CB 3.26Å; A289-A292 WeakPolarHBondContact O-CB 3.31Å; A289-A292 PolarHBondContact O-N 3.09Å; A289-Y293 VanDerWaalsContact O-CD2 3.3Å; A289-Y293 WeakPolarHBondContact O-CD2 3.49Å; A289-S343 PolarHBondContact N-OG 3.06Å; A289-L344 HydrophobicContact CB-CD2 3.9Å
290G97.2Very high94.3Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-57.1-40.8173.500000113.3D286 F287 L288 A292 Y293 R294 V295D286-G290 PolarHBondContact O-N 2.94Å; F287-G290 PolarHBondContact O-N 2.86Å; F287-G290 VanDerWaalsContact O-N 3.12Å; L288-G290 PolarHBondContact O-N 3.25Å; G290-A292 PolarHBondContact O-N 2.88Å; G290-Y293 PolarHBondContact O-N 3.38Å; G290-R294 PolarHBondContact O-N 3.2Å; G290-V295 CarbonylContact C-O 3.52Å; G290-V295 PolarHBondContact O-N 3.16Å; G290-V295 VanDerWaalsContact O-O 3.09Å
291L97.7Very high94.7Very high2 Ų29.4 Ų9.41%0.015%0.045CC..Hα-helixtrans-62.7-30.6-179.8-54.8-179.5000112.3F273 F287 L288 A289 Y293 R294 V295 F296 Q337 Y358F273-L291 HydrophobicContact CE1-CD2 4.31Å; F287-L291 HydrophobicContact CE1-CD1 4.31Å; L288-L291 HydrophobicContact CD2-CD1 3.81Å; L288-L291 WeakPolarHBondContact O-CB 3.33Å; L288-L291 PolarHBondContact O-N 3.35Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 PolarHBondContact O-N 2.89Å; L291-Y293 PolarHBondContact O-N 3.02Å; L291-R294 PolarHBondContact O-N 3.23Å; L291-V295 PolarHBondContact N-O 3.16Å; L291-F296 HydrophobicContact CD2-CD2 3.98Å; L291-Q337 WeakPolarHBondContact O-CA 3.46Å; L291-Y358 HydrophobicContact CD1-CD2 3.81Å; L291-Y358 HydrophobicContact CD1-CE2 3.59Å
292A97.6Very high95.3Very high0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-58.9-32.1176.600000112.1A289 G290 R294 Q337 L341 L344A289-A292 VanDerWaalsContact O-CB 3.26Å; A289-A292 WeakPolarHBondContact O-CB 3.31Å; A289-A292 PolarHBondContact O-N 3.09Å; G290-A292 PolarHBondContact O-N 2.88Å; A292-R294 VanDerWaalsContact C-N 3.35Å; A292-Q337 PolarHBondContact O-NE2 3.15Å; A292-L341 HydrophobicContact CB-CD2 4.02Å; A292-L341 HydrophobicContact CB-CG 4.33Å; A292-L344 HydrophobicContact CB-CD1 3.8Å; A292-L344 HydrophobicContact CB-CD2 4.06Å; A292-L344 HydrophobicContact CB-CG 4.05Å
293Y97.9Very high95.6Very high5 Ų59.1 Ų9.12%0.024%0.043CC..THydrogen-bonded Turntrans-92.46.9178.5-66.9-86.6000113.4P155 R156 K157 I158 L161 A289 G290 L291 V295 F447 I454P155-Y293 HydrophobicContact CB-CE2 4.38Å; P155-Y293 HydrophobicContact CG-CE2 3.99Å; P155-Y293 PolarHBondContact O-OH 3.07Å; R156-Y293 WeakPolarHBondContact CA-OH 3.35Å; R156-Y293 PolarHBondContact N-OH 2.66Å; R156-Y293 PolarHBondContact O-OH 2.7Å; R156-Y293 VanDerWaalsContact O-OH 3.14Å; K157-Y293 PolarHBondContact N-OH 2.92Å; I158-Y293 HydrophobicContact CB-CD1 3.71Å; I158-Y293 HydrophobicContact CB-CE1 4.3Å; I158-Y293 HydrophobicContact CB-CG 4.39Å; I158-Y293 HydrophobicContact CG1-CD1 4.2Å; I158-Y293 HydrophobicContact CG1-CG 4.42Å; L161-Y293 HydrophobicContact CD1-CD2 4.23Å; L161-Y293 HydrophobicContact CD1-CG 4.23Å; L161-Y293 HydrophobicContact CD2-CD2 4.16Å; L161-Y293 HydrophobicContact CG-CD2 4.38Å; A289-Y293 VanDerWaalsContact O-CD2 3.3Å; A289-Y293 WeakPolarHBondContact O-CD2 3.49Å; G290-Y293 PolarHBondContact O-N 3.38Å; L291-Y293 PolarHBondContact O-N 3.02Å; Y293-V295 PolarHBondContact O-N 3.33Å; Y293-F447 HydrophobicContact CD1-CD2 4.27Å; Y293-F447 AromaticContact CD1-CE2 3.69Å; Y293-F447 HydrophobicContact CD1-CE2 3.69Å; Y293-F447 HydrophobicContact CE1-CE2 4.25Å; Y293-F447 HydrophobicContact CG-CE2 4.4Å; Y293-I454 HydrophobicContact CE1-CG1 4Å; Y293-I454 HydrophobicContact CE2-CG1 4.18Å; Y293-I454 WeakPolarHBondContact OH-CG1 3.22Å
294R98.2Very high95.9Very high62 Ų629.2 Ų9.223%0.2344%0.041CC..THydrogen-bonded Turntrans5636.9-167.9-56.8-166.7175.1164.310.1112.5S271 F273 T274 G290 L291 A292 Q337S271-R294 PolarHBondContact O-NH1 2.85Å; F273-R294 CarbonylContact C-O 3.51Å; F273-R294 WeakPolarHBondContact CA-O 3.46Å; F273-R294 HydrophobicContact CB-CB 4.42Å; F273-R294 VanDerWaalsContact CD1-C 3.48Å; F273-R294 HydrophobicContact CD1-CB 4.15Å; F273-R294 VanDerWaalsContact CD1-O 3.24Å; F273-R294 WeakPolarHBondContact CD1-O 3.49Å; F273-R294 HydrophobicContact CD2-CB 3.48Å; F273-R294 VanDerWaalsContact CD2-CB 3.48Å; F273-R294 HydrophobicContact CD2-CG 3.76Å; F273-R294 HydrophobicContact CE1-CB 4.26Å; F273-R294 HydrophobicContact CE2-CB 3.59Å; F273-R294 HydrophobicContact CE2-CG 3.54Å; F273-R294 HydrophobicContact CG-CB 3.78Å; F273-R294 WeakPolarHBondContact CG-O 3.25Å; F273-R294 HydrophobicContact CZ-CB 4Å; F273-R294 HydrophobicContact CZ-CG 4.18Å; T274-R294 PolarHBondContact N-O 3.21Å; G290-R294 PolarHBondContact O-N 3.2Å; L291-R294 PolarHBondContact O-N 3.23Å; A292-R294 VanDerWaalsContact C-N 3.35Å; R294-Q337 HydrophobicContact CG-CB 4.35Å; R294-Q337 HydrophobicContact CG-CG 4.22Å; R294-Q337 VanDerWaalsContact CZ-OE1 3.29Å
295V98.4Very high96Very high6 Ų69.8 Ų9.84%0.0365%0.049CC..EExtended strand (participates in β ladder)trans-110.4118.9175.6-179.60000109I158 L161 T274 R276 G290 L291 Y293I158-V295 HydrophobicContact CD1-CG2 3.81Å; I158-V295 HydrophobicContact CG1-CG2 4.04Å; L161-V295 HydrophobicContact CD1-CB 3.75Å; L161-V295 HydrophobicContact CD1-CG1 4.01Å; L161-V295 HydrophobicContact CD1-CG2 3.66Å; T274-V295 WeakPolarHBondContact O-CA 3.45Å; R276-V295 HydrophobicContact CB-CG1 3.67Å; G290-V295 CarbonylContact C-O 3.52Å; G290-V295 PolarHBondContact O-N 3.16Å; G290-V295 VanDerWaalsContact O-O 3.09Å; L291-V295 PolarHBondContact N-O 3.16Å; Y293-V295 PolarHBondContact O-N 3.33Å
296F98Very high95.9Very high3 Ų312.7 Ų12.71%0.0137%0.073CC..EExtended strand (participates in β ladder)trans-99.8120.8174.9-172-93.9000110.1F273 T274 V275 R276 F287 L291 C298 E319 H323 L327F273-F296 HydrophobicContact CD1-CB 4.33Å; T274-F296 PolarHBondContact O-N 3.5Å; V275-F296 CarbonylContact C-O 3.01Å; V275-F296 VanDerWaalsContact CA-O 3.26Å; V275-F296 WeakPolarHBondContact CA-O 3.36Å; V275-F296 HydrophobicContact CG1-CB 4.43Å; R276-F296 PolarHBondContact N-O 3.05Å; F287-F296 HydrophobicContact CE2-CE2 4.34Å; F287-F296 HydrophobicContact CZ-CD2 4.19Å; F287-F296 AromaticContact CZ-CE2 3.62Å; F287-F296 HydrophobicContact CZ-CE2 3.62Å; F287-F296 HydrophobicContact CZ-CZ 4.08Å; L291-F296 HydrophobicContact CD2-CD2 3.98Å; F296-C298 HydrophobicContact CD1-CB 4.22Å; F296-C298 HydrophobicContact CE1-CB 4.48Å; F296-C298 PolarHBondContact O-N 3.02Å; F296-E319 WeakPolarHBondContact CE1-OE2 3.41Å; F296-H323 HydrophobicContact CE1-CB 4.08Å; F296-H323 HydrophobicContact CE2-CB 4.29Å; F296-H323 AromaticContact CE2-CE1 3.98Å; F296-H323 AromaticContact CE2-CG 3.81Å; F296-H323 AromaticContact CE2-ND1 3.69Å; F296-H323 HydrophobicContact CZ-CB 3.86Å; F296-H323 AromaticContact CZ-CD2 3.34Å; F296-H323 WeakPolarHBondContact CZ-CD2 3.39Å; F296-H323 AromaticContact CZ-CE1 3.84Å; F296-H323 AromaticContact CZ-CG 3.36Å; F296-H323 AromaticContact CZ-ND1 3.68Å; F296-H323 AromaticContact CZ-NE2 3.67Å; F296-L327 HydrophobicContact CB-CD1 3.75Å; F296-L327 HydrophobicContact CD1-CD1 4.23Å; F296-L327 HydrophobicContact CD2-CD1 3.88Å; F296-L327 HydrophobicContact CG-CD1 3.67Å
297H96.8Very high95.6Very high2 Ų215.6 Ų15.61%0.0099%0.089CC..EExtended strand (participates in β ladder)trans-77.2119.7176.6-67.495.7000109.1R276 V278 L282 F287R276-H297 CarbonylContact O-C 3.52Å; R276-H297 WeakPolarHBondContact O-CA 3.41Å; V278-H297 HydrophobicContact CB-CB 4.03Å; V278-H297 HydrophobicContact CG1-CB 4.05Å; V278-H297 HydrophobicContact CG2-CB 4.44Å; L282-H297 HydrophobicContact CD1-CB 4.21Å; F287-H297 HydrophobicContact CD2-CB 4.01Å; F287-H297 HydrophobicContact CE2-CB 4.07Å
298C96Very high95.4Very high0 Ų016 Ų160%09%0.093CC..EExtended strand (participates in β ladder)trans-126.6129.9-169-177.70000109.9L260 V275 R276 P277 V278 F296 E319L260-C298 HydrophobicContact CD1-CB 3.99Å; L260-C298 WeakPolarHBondContact CD2-SG 3.23Å; V275-C298 HydrophobicContact CB-CB 4.18Å; V275-C298 HydrophobicContact CG1-CB 4.37Å; R276-C298 PolarHBondContact O-N 3.26Å; P277-C298 CarbonylContact C-O 3.56Å; P277-C298 VanDerWaalsContact CA-O 3.31Å; P277-C298 WeakPolarHBondContact CA-O 3.27Å; V278-C298 PolarHBondContact N-O 2.77Å; F296-C298 HydrophobicContact CD1-CB 4.22Å; F296-C298 HydrophobicContact CE1-CB 4.48Å; F296-C298 PolarHBondContact O-N 3.02Å; C298-E319 WeakPolarHBondContact SG-CB 3.5Å
299T95.9Very high94.9Very high1 Ų120.1 Ų20.11%0.00612%0.115CC..  trans-73.7157.8172.5710000111.1V278 Y301 P314 T316 E319V278-T299 HydrophobicContact CG1-CG2 4.02Å; T299-Y301 HydrophobicContact CG2-CD1 4.45Å; T299-Y301 HydrophobicContact CG2-CE1 3.63Å; T299-P314 WeakPolarHBondContact CB-O 3.47Å; T299-P314 VanDerWaalsContact CG2-O 3.26Å; T299-P314 WeakPolarHBondContact CG2-O 3.22Å; T299-P314 PolarHBondContact OG1-O 3.23Å; T299-T316 PolarHBondContact OG1-N 3.42Å; T299-E319 PolarHBondContact N-OE1 3.15Å
300Q97.3Very high93.8Very high4 Ų422.9 Ų22.92%0.01913%0.125CC..  trans-112.4-13.6175.7-72.2-173.9-7500113.5F194 V197 P208 Y212 L260 P277F194-Q300 HydrophobicContact CD1-CB 3.6Å; F194-Q300 HydrophobicContact CE1-CB 3.81Å; F194-Q300 WeakPolarHBondContact CE1-O 3.37Å; V197-Q300 VanDerWaalsContact CG1-OE1 3.3Å; P208-Q300 PolarHBondContact O-NE2 2.78Å; P208-Q300 VanDerWaalsContact O-NE2 3.1Å; Y212-Q300 WeakPolarHBondContact CE1-O 3.43Å; Y212-Q300 PolarHBondContact OH-O 3.18Å; L260-Q300 HydrophobicContact CD1-CG 3.31Å; L260-Q300 HydrophobicContact CG-CG 3.82Å; P277-Q300 HydrophobicContact CB-CG 4.48Å
301Y95.9Very high92.7Very high3 Ų323 Ų231%0.01213%0.126CC..  trans-75.2155.1177.760.8-98.6000110.8F194 T299 E313 D315 T316F194-Y301 VanDerWaalsContact CD2-CB 3.48Å; T299-Y301 HydrophobicContact CG2-CD1 4.45Å; T299-Y301 HydrophobicContact CG2-CE1 3.63Å; Y301-E313 HydrophobicContact CE2-CB 3.97Å; Y301-D315 HydrophobicContact CD2-CB 4.08Å; Y301-D315 HydrophobicContact CE2-CB 3.99Å; Y301-T316 WeakPolarHBondContact O-CB 3.09Å; Y301-T316 PolarHBondContact O-N 2.81Å
302I95.6Very high91.2Very high3 Ų323.4 Ų23.42%0.01513%0.129CC..  trans-104.3150.7172.2-164.6158.7000110.3Y187 E216 T219 W220 T316Y187-I302 WeakPolarHBondContact CE2-O 3.19Å; Y187-I302 PolarHBondContact OH-O 3.12Å; Y187-I302 VanDerWaalsContact OH-O 3.07Å; E216-I302 HydrophobicContact CB-CG2 3.69Å; E216-I302 HydrophobicContact CG-CG2 3.48Å; E216-I302 VanDerWaalsContact CG-CG2 3.48Å; E216-I302 WeakPolarHBondContact O-CD1 3.23Å; T219-I302 HydrophobicContact CG2-CD1 4.18Å; T219-I302 HydrophobicContact CG2-CG1 4.18Å; W220-I302 HydrophobicContact CB-CD1 3.68Å; I302-T316 HydrophobicContact CB-CG2 4.04Å; I302-T316 HydrophobicContact CD1-CG2 4.43Å; I302-T316 HydrophobicContact CG1-CG2 4.22Å
303R93.9Very high90.3Very high7 Ų723.4 Ų23.43%0.02613%0.129CC..  trans-54.2156.1172.666.9-169.565.1-175.3-6111.9T219 P308 D315T219-R303 HydrophobicContact CG2-CG 3.75Å; R303-P308 WeakPolarHBondContact CD-O 3.18Å; R303-P308 PolarHBondContact NH1-O 3.31Å; R303-D315 HydrophobicContact CB-CB 4.23Å; R303-D315 WeakPolarHBondContact CB-OD2 3.41Å; R303-D315 WeakPolarHBondContact CG-OD2 3.4Å; R303-D315 IonicContact CZ-OD1 3.94Å; R303-D315 IonicContact CZ-OD2 3.07Å; R303-D315 PolarHBondContact N-OD2 2.82Å; R303-D315 IonicContact NE-OD1 2.97Å; R303-D315 PolarHBondContact NE-OD1 3.26Å; R303-D315 IonicContact NE-OD2 3.59Å; R303-D315 PolarHBondContact NE-OD2 2.81Å; R303-D315 IonicContact NH2-OD1 2.93Å; R303-D315 PolarHBondContact NH2-OD1 3.33Å; R303-D315 IonicContact NH2-OD2 3.65Å
304H94.3Very high89.8Confident25 Ų2523.8 Ų23.812%0.11613%0.132CC..  trans-63.9134.7178.2-169.6-95.8000112P180 D184 Y187 S306 D307P180-H304 HydrophobicContact CB-CB 4.15Å; P180-H304 HydrophobicContact CG-CB 3.91Å; D184-H304 IonicContact OD2-CD2 3.38Å; D184-H304 IonicContact OD2-NE2 3.49Å; D184-H304 PolarHBondContact OD2-NE2 3.38Å; Y187-H304 HydrophobicContact CD2-CB 4.43Å; Y187-H304 AromaticContact CD2-CD2 3.71Å; Y187-H304 HydrophobicContact CE2-CB 4.05Å; Y187-H304 AromaticContact CG-CD2 3.72Å; H304-S306 PolarHBondContact CE1-OG 3.37Å; H304-S306 VanDerWaalsContact ND1-CB 3.32Å; H304-S306 WeakPolarHBondContact ND1-CB 3.18Å; H304-S306 PolarHBondContact ND1-N 3.37Å; H304-S306 PolarHBondContact ND1-OG 3.44Å; H304-S306 PolarHBondContact O-N 3.14Å; H304-S306 VanDerWaalsContact O-N 3.12Å; H304-D307 PolarHBondContact O-N 3.41Å
305G93.7Very high89.6Confident26 Ų2620.8 Ų20.827%0.26812%0.121SC..THydrogen-bonded Turntrans-67-13.9-172.500000115.7T219 D307T219-G305 WeakPolarHBondContact OG1-CA 3.33Å; G305-D307 VanDerWaalsContact C-N 3.29Å; G305-D307 PolarHBondContact O-N 3.23Å
306S92Very high89.5Confident84 Ų8420.5 Ų20.559%0.58712%0.119SC*.THydrogen-bonded Turntrans-67.6-26.2179.366.70000114.1H304H304-S306 PolarHBondContact CE1-OG 3.37Å; H304-S306 VanDerWaalsContact ND1-CB 3.32Å; H304-S306 WeakPolarHBondContact ND1-CB 3.18Å; H304-S306 PolarHBondContact ND1-N 3.37Å; H304-S306 PolarHBondContact ND1-OG 3.44Å; H304-S306 PolarHBondContact O-N 3.14Å; H304-S306 VanDerWaalsContact O-N 3.12Å
307D85.6Confident89.4Confident70 Ų7020.4 Ų20.437%0.37412%0.118SC..  trans-141.674.3178.1-166.2-7.2000110H304 G305 L309 Y310H304-D307 PolarHBondContact O-N 3.41Å; G305-D307 VanDerWaalsContact C-N 3.29Å; G305-D307 PolarHBondContact O-N 3.23Å; D307-L309 PolarHBondContact O-N 3.03Å; D307-L309 VanDerWaalsContact O-N 3.11Å; D307-Y310 VanDerWaalsContact CG-CB 3.44Å; D307-Y310 PolarHBondContact O-N 3.2Å; D307-Y310 VanDerWaalsContact O-N 3.15Å; D307-Y310 VanDerWaalsContact OD2-CB 3.26Å; D307-Y310 WeakPolarHBondContact OD2-CB 3.5Å
308P89Confident89.4Confident29 Ų2920.4 Ų20.419%0.18812%0.119CC..THydrogen-bonded Turntrans-62.9-23.2-17325.6-34.6000112.5T219 V222 V223 R303 Y310T219-P308 HydrophobicContact CG2-CB 4.05Å; V222-P308 HydrophobicContact CB-CB 4.27Å; V222-P308 HydrophobicContact CB-CG 4.48Å; V222-P308 HydrophobicContact CG1-CB 4.01Å; V222-P308 HydrophobicContact CG1-CG 3.87Å; V223-P308 HydrophobicContact CG2-CB 4.38Å; V223-P308 WeakPolarHBondContact CG2-O 3.26Å; R303-P308 WeakPolarHBondContact CD-O 3.18Å; R303-P308 PolarHBondContact NH1-O 3.31Å; P308-Y310 VanDerWaalsContact C-N 3.31Å
309L86.6Confident89.4Confident87 Ų8720.8 Ų20.846%0.45512%0.12SC..THydrogen-bonded Turntrans-89.8-0.2-176.3-53.3-168.7000113V222 D307 I384V222-L309 HydrophobicContact CG1-CD2 3.9Å; D307-L309 PolarHBondContact O-N 3.03Å; D307-L309 VanDerWaalsContact O-N 3.11Å; L309-I384 HydrophobicContact CB-CD1 4.43Å; L309-I384 HydrophobicContact CD1-CD1 4.03Å; L309-I384 HydrophobicContact CD2-CD1 3.53Å; L309-I384 HydrophobicContact CG-CD1 4.19Å
310Y72.8Confident89.5Confident61 Ų6120.8 Ų20.824%0.23912%0.12CC..  trans-130.3143.2179174.1-123.5000110.2M1 D307 P308M1-Y310 VanDerWaalsContact C-CE2 3.47Å; M1-Y310 HydrophobicContact CB-CD2 3.51Å; M1-Y310 HydrophobicContact CB-CE2 3.26Å; M1-Y310 HydrophobicContact CG-CD2 4.15Å; M1-Y310 HydrophobicContact CG-CE2 3.43Å; M1-Y310 VanDerWaalsContact CG-CE2 3.43Å; M1-Y310 WeakPolarHBondContact O-CD2 3.28Å; M1-Y310 WeakPolarHBondContact O-CE2 3.31Å; M1-Y310 HydrophobicContact SD-CD2 4.37Å; M1-Y310 HydrophobicContact SD-CE2 3.75Å; D307-Y310 VanDerWaalsContact CG-CB 3.44Å; D307-Y310 PolarHBondContact O-N 3.2Å; D307-Y310 VanDerWaalsContact O-N 3.15Å; D307-Y310 VanDerWaalsContact OD2-CB 3.26Å; D307-Y310 WeakPolarHBondContact OD2-CB 3.5Å; P308-Y310 VanDerWaalsContact C-N 3.31Å
311T72.8Confident89.5Confident3 Ų320.6 Ų20.62%0.01812%0.119CC..  trans-152.1135.8165.2176.80000109.7Q2 E313Q2-T311 WeakPolarHBondContact CA-O 3.38Å; T311-E313 WeakPolarHBondContact CG2-O 3.29Å; T311-E313 PolarHBondContact OG1-N 3.45Å; T311-E313 PolarHBondContact OG1-O 2.83Å
312P67.9Low89.6Confident10 Ų1020.4 Ų20.47%0.06512%0.119CC..SBendtrans-73.4-13.9167.331.4-33.2000113.9P3 A4 Y281P3-P312 CarbonylContact C-O 2.88Å; P3-P312 WeakPolarHBondContact CA-O 3.36Å; P3-P312 HydrophobicContact CB-CB 4.03Å; P3-P312 WeakPolarHBondContact CB-O 3.42Å; P3-P312 VanDerWaalsContact CD-CA 3.45Å; P3-P312 VanDerWaalsContact CG-CA 3.43Å; P3-P312 HydrophobicContact CG-CB 3.53Å; A4-P312 PolarHBondContact N-O 3Å; Y281-P312 PolarHBondContact OH-O 3.41Å
313E78.5Confident89.7Confident0 Ų020.4 Ų20.40%012%0.118CC..SBendtrans-118.5155.2-170-63.9168.6136.900111Y171 L175 H179 R191 Y301 T311 D315Y171-E313 WeakPolarHBondContact CB-OE1 3.34Å; Y171-E313 HydrophobicContact CD1-CG 3.69Å; Y171-E313 WeakPolarHBondContact CD1-OE1 3.43Å; Y171-E313 HydrophobicContact CD2-CG 4.5Å; Y171-E313 HydrophobicContact CE1-CG 4.05Å; Y171-E313 HydrophobicContact CG-CG 3.9Å; L175-E313 WeakPolarHBondContact CD2-OE1 3.48Å; H179-E313 IonicContact CD2-OE1 3.57Å; H179-E313 IonicContact CD2-OE2 3.33Å; H179-E313 IonicContact CE1-OE2 2.68Å; H179-E313 IonicContact NE2-OE1 3.51Å; H179-E313 IonicContact NE2-OE2 3.72Å; H179-E313 PolarHBondContact NE2-OE2 3.48Å; R191-E313 IonicContact CZ-OE1 3.82Å; R191-E313 IonicContact CZ-OE2 2.78Å; R191-E313 IonicContact NH1-OE1 2.68Å; R191-E313 PolarHBondContact NH1-OE1 2.97Å; R191-E313 IonicContact NH1-OE2 3.85Å; R191-E313 PolarHBondContact NH1-OE2 3.49Å; R191-E313 IonicContact NH2-OE1 3.7Å; R191-E313 PolarHBondContact NH2-OE1 3.3Å; R191-E313 IonicContact NH2-OE2 2.94Å; Y301-E313 HydrophobicContact CE2-CB 3.97Å; T311-E313 WeakPolarHBondContact CG2-O 3.29Å; T311-E313 PolarHBondContact OG1-N 3.45Å; T311-E313 PolarHBondContact OG1-O 2.83Å; E313-D315 PolarHBondContact O-N 3.05Å
314P86.7Confident89.9Confident13 Ų1320.1 Ų20.18%0.08412%0.117CC..  trans-8075.6173.823.9-4000106.5A4 Y281 T299 H318A4-P314 HydrophobicContact CB-CB 3.92Å; A4-P314 HydrophobicContact CB-CG 4.34Å; Y281-P314 HydrophobicContact CE1-CG 3.77Å; Y281-P314 HydrophobicContact CE2-CG 4.11Å; Y281-P314 VanDerWaalsContact CZ-CD 3.42Å; Y281-P314 VanDerWaalsContact OH-CD 3.28Å; Y281-P314 WeakPolarHBondContact OH-CD 3.32Å; T299-P314 WeakPolarHBondContact CB-O 3.47Å; T299-P314 VanDerWaalsContact CG2-O 3.26Å; T299-P314 WeakPolarHBondContact CG2-O 3.22Å; T299-P314 PolarHBondContact OG1-O 3.23Å; P314-H318 VanDerWaalsContact CB-CD2 3.48Å; P314-H318 WeakPolarHBondContact CB-CD2 3.43Å
315D94.3Very high90.1Very high0 Ų018.9 Ų18.90%011%0.112CC..  trans-71.2169.7177.280-46.1000110.9Y301 R303 E313 C317 H318 E319Y301-D315 HydrophobicContact CD2-CB 4.08Å; Y301-D315 HydrophobicContact CE2-CB 3.99Å; R303-D315 HydrophobicContact CB-CB 4.23Å; R303-D315 WeakPolarHBondContact CB-OD2 3.41Å; R303-D315 WeakPolarHBondContact CG-OD2 3.4Å; R303-D315 IonicContact CZ-OD1 3.94Å; R303-D315 IonicContact CZ-OD2 3.07Å; R303-D315 PolarHBondContact N-OD2 2.82Å; R303-D315 IonicContact NE-OD1 2.97Å; R303-D315 PolarHBondContact NE-OD1 3.26Å; R303-D315 IonicContact NE-OD2 3.59Å; R303-D315 PolarHBondContact NE-OD2 2.81Å; R303-D315 IonicContact NH2-OD1 2.93Å; R303-D315 PolarHBondContact NH2-OD1 3.33Å; R303-D315 IonicContact NH2-OD2 3.65Å; E313-D315 PolarHBondContact O-N 3.05Å; D315-C317 PolarHBondContact O-N 3.22Å; D315-C317 WeakPolarHBondContact OD2-CB 3.49Å; D315-C317 PolarHBondContact OD2-SG 2.98Å; D315-H318 WeakPolarHBondContact O-CA 3.4Å; D315-H318 WeakPolarHBondContact O-CB 3.48Å; D315-H318 PolarHBondContact O-N 2.64Å; D315-H318 PolarHBondContact OD1-N 3.32Å; D315-E319 WeakPolarHBondContact O-CG 3.24Å; D315-E319 PolarHBondContact O-N 3.13Å; D315-E319 VanDerWaalsContact O-N 3.16Å
316T96Very high90.3Very high0 Ų017.7 Ų17.70%010%0.099CC..Hα-helixtrans-52.8-28.2179.9-164.30000113.4V257 T299 Y301 I302 L320V257-T316 HydrophobicContact CG1-CG2 4.13Å; T299-T316 PolarHBondContact OG1-N 3.42Å; Y301-T316 WeakPolarHBondContact O-CB 3.09Å; Y301-T316 PolarHBondContact O-N 2.81Å; I302-T316 HydrophobicContact CB-CG2 4.04Å; I302-T316 HydrophobicContact CD1-CG2 4.43Å; I302-T316 HydrophobicContact CG1-CG2 4.22Å; T316-L320 WeakPolarHBondContact O-CB 3.43Å; T316-L320 WeakPolarHBondContact O-CG 3.47Å; T316-L320 PolarHBondContact O-N 3.19Å; T316-L320 WeakPolarHBondContact OG1-CD1 3.24Å
317C96.7Very high90.6Very high0 Ų013.8 Ų13.80%07%0.072CC..Hα-helixtrans-63.5-45.9172.5-58.50000112.1V223 D315 L321V223-C317 HydrophobicContact CG1-CB 4.11Å; D315-C317 PolarHBondContact O-N 3.22Å; D315-C317 WeakPolarHBondContact OD2-CB 3.49Å; D315-C317 PolarHBondContact OD2-SG 2.98Å; C317-L321 WeakPolarHBondContact O-CB 3.29Å; C317-L321 WeakPolarHBondContact O-CG 3.39Å; C317-L321 PolarHBondContact O-N 3.43Å
318H95.8Very high91.3Very high3 Ų310.5 Ų10.51%0.0145%0.054CC..Hα-helixtrans-61.6-46.7176.3171.180000111.4P314 D315 G322 H323 E363 S382P314-H318 VanDerWaalsContact CB-CD2 3.48Å; P314-H318 WeakPolarHBondContact CB-CD2 3.43Å; D315-H318 WeakPolarHBondContact O-CA 3.4Å; D315-H318 WeakPolarHBondContact O-CB 3.48Å; D315-H318 PolarHBondContact O-N 2.64Å; D315-H318 PolarHBondContact OD1-N 3.32Å; H318-G322 WeakPolarHBondContact O-CA 3.4Å; H318-G322 PolarHBondContact O-N 3.49Å; H318-H323 AromaticContact CD2-CD2 3.97Å; H318-H323 AromaticContact CD2-NE2 3.95Å; H318-H323 AromaticContact CE1-NE2 3.86Å; H318-H323 AromaticContact NE2-CD2 3.67Å; H318-H323 AromaticContact NE2-NE2 3.21Å; H318-H323 PolarHBondContact NE2-NE2 3.47Å; H318-E363 IonicContact CE1-OE2 2.86Å; H318-E363 PolarHBondContact CE1-OE2 2.89Å; H318-E363 VanDerWaalsContact CE1-OE2 3.31Å; H318-E363 IonicContact NE2-OE2 2.7Å; H318-S382 PolarHBondContact ND1-OG 2.87Å
319E96.9Very high91.7Very high8 Ų89.8 Ų9.84%0.0375%0.048CC..Iπ-helixtrans-64.7-52.3-177.3-47.1-65.6-161.700112F296 C298 T299 D315 H323 V324F296-E319 WeakPolarHBondContact CE1-OE2 3.41Å; C298-E319 WeakPolarHBondContact SG-CB 3.5Å; T299-E319 PolarHBondContact N-OE1 3.15Å; D315-E319 WeakPolarHBondContact O-CG 3.24Å; D315-E319 PolarHBondContact O-N 3.13Å; D315-E319 VanDerWaalsContact O-N 3.16Å; E319-H323 WeakPolarHBondContact O-CB 2.92Å; E319-H323 PolarHBondContact O-N 3.32Å; E319-H323 VanDerWaalsContact O-N 3.11Å; E319-H323 IonicContact OE2-CD2 3.29Å; E319-H323 PolarHBondContact OE2-CD2 2.92Å; E319-V324 WeakPolarHBondContact O-CG2 3Å; E319-V324 PolarHBondContact O-N 3.21Å; E319-V324 VanDerWaalsContact O-N 3.16Å
320L98Very high92.1Very high0 Ų08.7 Ų8.70%05%0.047CC..Iπ-helixtrans-74.4-39-174-63179.5000112.3W220 Y252 V257 P258 L260 V263 T316 V324 P325W220-L320 HydrophobicContact CH2-CB 3.96Å; W220-L320 HydrophobicContact CH2-CD1 4.06Å; W220-L320 HydrophobicContact CZ3-CB 4Å; W220-L320 HydrophobicContact CZ3-CD1 3.9Å; Y252-L320 HydrophobicContact CE1-CB 4.36Å; Y252-L320 VanDerWaalsContact CE1-O 3.28Å; Y252-L320 WeakPolarHBondContact CE1-O 3.46Å; Y252-L320 PolarHBondContact OH-O 3.49Å; Y252-L320 VanDerWaalsContact OH-O 3.13Å; V257-L320 HydrophobicContact CG1-CD1 4.4Å; P258-L320 HydrophobicContact CB-CD1 3.94Å; P258-L320 HydrophobicContact CG-CD1 4.03Å; L260-L320 HydrophobicContact CD2-CD2 3.82Å; V263-L320 HydrophobicContact CG1-CD2 4.39Å; V263-L320 HydrophobicContact CG2-CD2 4.08Å; T316-L320 WeakPolarHBondContact O-CB 3.43Å; T316-L320 WeakPolarHBondContact O-CG 3.47Å; T316-L320 PolarHBondContact O-N 3.19Å; T316-L320 WeakPolarHBondContact OG1-CD1 3.24Å; L320-V324 HydrophobicContact CD2-CG2 4.1Å; L320-P325 WeakPolarHBondContact O-CD 3.15Å
321L97.6Very high93.2Very high0 Ų011.4 Ų11.40%06%0.06CC..Iπ-helixtrans-90.9-25.5-177.2-57.6175.7000113.2W220 V223 F224 L227 Y239 F243 Y252 C317W220-L321 HydrophobicContact CH2-CD1 4.23Å; W220-L321 HydrophobicContact CH2-CD2 3.61Å; W220-L321 HydrophobicContact CH2-CG 3.79Å; W220-L321 HydrophobicContact CZ2-CD2 4.09Å; W220-L321 HydrophobicContact CZ3-CD1 4.16Å; W220-L321 HydrophobicContact CZ3-CD2 4.3Å; W220-L321 HydrophobicContact CZ3-CG 3.96Å; V223-L321 HydrophobicContact CG1-CD1 3.95Å; F224-L321 HydrophobicContact CD2-CD2 3.85Å; F224-L321 HydrophobicContact CE2-CD2 4.24Å; L227-L321 HydrophobicContact CD1-CD1 3.97Å; Y239-L321 VanDerWaalsContact CE2-O 3.23Å; Y239-L321 WeakPolarHBondContact CE2-O 3.15Å; Y239-L321 PolarHBondContact OH-O 3.45Å; F243-L321 HydrophobicContact CE2-CD2 4.16Å; Y252-L321 HydrophobicContact CD1-CD2 4.24Å; Y252-L321 HydrophobicContact CE1-CD2 4.31Å; C317-L321 WeakPolarHBondContact O-CB 3.29Å; C317-L321 WeakPolarHBondContact O-CG 3.39Å; C317-L321 PolarHBondContact O-N 3.43Å
322G96.9Very high94.3Very high0 Ų011.4 Ų11.40%06%0.059CC..Iπ-helixtrans-89.7-64.7178.400000112.7H318H318-G322 WeakPolarHBondContact O-CA 3.4Å; H318-G322 PolarHBondContact O-N 3.49Å
323H98Very high95.7Very high3 Ų310.9 Ų10.91%0.0146%0.056CC..Iπ-helixtrans-80.9-50.7-168.9-72.2-74.7000114.3F296 H318 E319 P325 L326 L327 Y358 E363 A378F296-H323 HydrophobicContact CE1-CB 4.08Å; F296-H323 HydrophobicContact CE2-CB 4.29Å; F296-H323 AromaticContact CE2-CE1 3.98Å; F296-H323 AromaticContact CE2-CG 3.81Å; F296-H323 AromaticContact CE2-ND1 3.69Å; F296-H323 HydrophobicContact CZ-CB 3.86Å; F296-H323 AromaticContact CZ-CD2 3.34Å; F296-H323 WeakPolarHBondContact CZ-CD2 3.39Å; F296-H323 AromaticContact CZ-CE1 3.84Å; F296-H323 AromaticContact CZ-CG 3.36Å; F296-H323 AromaticContact CZ-ND1 3.68Å; F296-H323 AromaticContact CZ-NE2 3.67Å; H318-H323 AromaticContact CD2-CD2 3.97Å; H318-H323 AromaticContact CD2-NE2 3.95Å; H318-H323 AromaticContact CE1-NE2 3.86Å; H318-H323 AromaticContact NE2-CD2 3.67Å; H318-H323 AromaticContact NE2-NE2 3.21Å; H318-H323 PolarHBondContact NE2-NE2 3.47Å; E319-H323 WeakPolarHBondContact O-CB 2.92Å; E319-H323 PolarHBondContact O-N 3.32Å; E319-H323 VanDerWaalsContact O-N 3.11Å; E319-H323 IonicContact OE2-CD2 3.29Å; E319-H323 PolarHBondContact OE2-CD2 2.92Å; H323-P325 VanDerWaalsContact C-CD 3.49Å; H323-L326 PolarHBondContact O-N 2.97Å; H323-L326 VanDerWaalsContact O-N 3.11Å; H323-L327 HydrophobicContact CB-CD1 4.28Å; H323-L327 PolarHBondContact O-N 3.31Å; H323-L327 VanDerWaalsContact O-N 3.09Å; H323-Y358 PolarHBondContact CE1-OH 3.27Å; H323-Y358 VanDerWaalsContact CE1-OH 3.26Å; H323-E363 IonicContact CE1-OE1 2.62Å; H323-E363 PolarHBondContact CE1-OE1 2.82Å; H323-E363 IonicContact CE1-OE2 2.77Å; H323-E363 IonicContact NE2-OE1 3.8Å; H323-E363 PolarHBondContact NE2-OE1 3.12Å; H323-E363 VanDerWaalsContact NE2-OE1 3.16Å; H323-E363 IonicContact NE2-OE2 3.42Å; H323-A378 HydrophobicContact CB-CB 4.42Å; H323-A378 WeakPolarHBondContact CE1-CB 3.36Å; H323-A378 WeakPolarHBondContact ND1-CB 3.45Å; H323-A378 VanDerWaalsContact NE2-CB 3.33Å; H323-A378 WeakPolarHBondContact NE2-CB 3.36Å
324V98.5Very high96.4Very high0 Ų014.4 Ų14.40%07%0.073CC..Hα-helixtrans-55.1-43.6-167.8170.80000113.9L246 Y252 V263 L267 E319 L320 L326 L327 A328L246-V324 HydrophobicContact CD1-CG1 3.98Å; L246-V324 HydrophobicContact CD2-CG1 3.8Å; Y252-V324 VanDerWaalsContact OH-CG1 3.29Å; Y252-V324 WeakPolarHBondContact OH-CG1 3.18Å; V263-V324 HydrophobicContact CG1-CB 4.35Å; V263-V324 HydrophobicContact CG1-CG1 3.55Å; V263-V324 HydrophobicContact CG1-CG2 3.79Å; L267-V324 HydrophobicContact CD1-CG1 4.24Å; L267-V324 HydrophobicContact CD1-CG2 4.46Å; L267-V324 HydrophobicContact CD2-CG1 4.19Å; L267-V324 HydrophobicContact CG-CG1 4.35Å; E319-V324 WeakPolarHBondContact O-CG2 3Å; E319-V324 PolarHBondContact O-N 3.21Å; E319-V324 VanDerWaalsContact O-N 3.16Å; L320-V324 HydrophobicContact CD2-CG2 4.1Å; V324-L326 PolarHBondContact O-N 3.04Å; V324-L327 PolarHBondContact O-N 2.97Å; V324-A328 PolarHBondContact O-N 2.7Å
325P98.5Very high96.8Very high0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-60.2-31.7-178.6-26.137.2000113.6Y239 N242 F243 L246 L320 H323Y239-P325 HydrophobicContact CD2-CB 3.53Å; Y239-P325 HydrophobicContact CD2-CG 4.03Å; Y239-P325 HydrophobicContact CE2-CB 3.51Å; Y239-P325 HydrophobicContact CE2-CG 3.44Å; Y239-P325 VanDerWaalsContact CE2-CG 3.44Å; Y239-P325 HydrophobicContact CG-CB 4.09Å; N242-P325 WeakPolarHBondContact CB-O 3.43Å; N242-P325 PolarHBondContact ND2-O 3.4Å; F243-P325 HydrophobicContact CD2-CG 4.37Å; L246-P325 HydrophobicContact CD1-CB 3.96Å; L246-P325 HydrophobicContact CD1-CG 3.67Å; L320-P325 WeakPolarHBondContact O-CD 3.15Å; H323-P325 VanDerWaalsContact C-CD 3.49Å
326L98.3Very high96.9Very high1 Ų113.9 Ų13.91%0.0057%0.069CC..Hα-helixtrans-86.2-32.8176.6-69-176.8000113.2E238 Y239 H323 V324 A328 D329 F332 Y376 L381 F425E238-L326 HydrophobicContact CB-CD2 4.05Å; Y239-L326 HydrophobicContact CD2-CG 4.46Å; H323-L326 PolarHBondContact O-N 2.97Å; H323-L326 VanDerWaalsContact O-N 3.11Å; V324-L326 PolarHBondContact O-N 3.04Å; L326-A328 PolarHBondContact O-N 3.31Å; L326-A328 VanDerWaalsContact O-N 3.13Å; L326-D329 WeakPolarHBondContact O-CB 3.23Å; L326-D329 PolarHBondContact O-N 2.83Å; L326-F332 VanDerWaalsContact C-CD1 3.5Å; L326-F332 HydrophobicContact CB-CB 4.47Å; L326-F332 HydrophobicContact CB-CD1 3.52Å; L326-F332 HydrophobicContact CB-CD2 4.16Å; L326-F332 HydrophobicContact CB-CE1 3.62Å; L326-F332 HydrophobicContact CB-CE2 4.26Å; L326-F332 HydrophobicContact CB-CG 3.78Å; L326-F332 HydrophobicContact CB-CZ 3.98Å; L326-F332 HydrophobicContact CD1-CD2 4.14Å; L326-F332 HydrophobicContact CD1-CE1 4.43Å; L326-F332 HydrophobicContact CD1-CE2 3.82Å; L326-F332 HydrophobicContact CD1-CZ 3.95Å; L326-F332 WeakPolarHBondContact O-CB 3.43Å; L326-F332 WeakPolarHBondContact O-CD1 2.9Å; L326-Y376 HydrophobicContact CD1-CD2 4.13Å; L326-Y376 HydrophobicContact CD1-CG 4.37Å; L326-Y376 WeakPolarHBondContact CD1-O 3.2Å; L326-L381 HydrophobicContact CD1-CD1 4.45Å; L326-F425 HydrophobicContact CD2-CZ 4.34Å
327L98.3Very high96.9Very high2 Ų214.5 Ų14.51%0.017%0.072CC..Hα-helixtrans-60.1-23171.9-67.2176.6000112.3L267 S271 F273 F296 H323 V324 D329 F332L267-L327 HydrophobicContact CD1-CB 4.35Å; L267-L327 HydrophobicContact CD2-CB 3.86Å; S271-L327 VanDerWaalsContact CB-O 3.27Å; S271-L327 WeakPolarHBondContact CB-O 3.38Å; S271-L327 PolarHBondContact OG-O 3.3Å; F273-L327 HydrophobicContact CD1-CD1 4.3Å; F273-L327 HydrophobicContact CD1-CD2 3.87Å; F273-L327 HydrophobicContact CE1-CD2 3.78Å; F273-L327 HydrophobicContact CG-CD2 4.3Å; F273-L327 HydrophobicContact CZ-CD2 4.15Å; F296-L327 HydrophobicContact CB-CD1 3.75Å; F296-L327 HydrophobicContact CD1-CD1 4.23Å; F296-L327 HydrophobicContact CD2-CD1 3.88Å; F296-L327 HydrophobicContact CG-CD1 3.67Å; H323-L327 HydrophobicContact CB-CD1 4.28Å; H323-L327 PolarHBondContact O-N 3.31Å; H323-L327 VanDerWaalsContact O-N 3.09Å; V324-L327 PolarHBondContact O-N 2.97Å; L327-D329 VanDerWaalsContact C-N 3.28Å; L327-D329 PolarHBondContact O-N 3.06Å; L327-F332 HydrophobicContact CD2-CD1 4.3Å; L327-F332 HydrophobicContact CD2-CE1 4.16Å
328A98.3Very high96.8Very high0 Ų016.2 Ų16.20%08%0.08CC..THydrogen-bonded Turntrans-75.1-9.6172.600000114.4N242 F266 L267 R270 V324 L326N242-A328 HydrophobicContact CB-CB 4.14Å; F266-A328 HydrophobicContact CE1-CB 3.83Å; L267-A328 HydrophobicContact CD2-CB 3.8Å; R270-A328 HydrophobicContact CB-CB 4.37Å; V324-A328 PolarHBondContact O-N 2.7Å; L326-A328 PolarHBondContact O-N 3.31Å; L326-A328 VanDerWaalsContact O-N 3.13Å
329D97.8Very high96.7Very high14 Ų1416 Ų168%0.0758%0.079CC..SBendtrans-90.1125.1172.2-178.178.1000110.8E238 N242 L326 L327 K331 F332 A333E238-D329 HydrophobicContact CB-CB 4.43Å; N242-D329 PolarHBondContact ND2-N 3.49Å; L326-D329 WeakPolarHBondContact O-CB 3.23Å; L326-D329 PolarHBondContact O-N 2.83Å; L327-D329 VanDerWaalsContact C-N 3.28Å; L327-D329 PolarHBondContact O-N 3.06Å; D329-K331 VanDerWaalsContact C-N 3.3Å; D329-K331 PolarHBondContact O-N 3.13Å; D329-K331 WeakPolarHBondContact OD2-CA 3.33Å; D329-K331 WeakPolarHBondContact OD2-CB 3.36Å; D329-K331 PolarHBondContact OD2-N 2.96Å; D329-F332 HydrophobicContact CB-CB 4.16Å; D329-F332 PolarHBondContact O-N 2.9Å; D329-F332 PolarHBondContact OD2-N 3.35Å; D329-A333 VanDerWaalsContact O-CB 3.3Å; D329-A333 WeakPolarHBondContact O-CB 3.36Å; D329-A333 PolarHBondContact O-N 2.94Å
330P95.8Very high96.7Very high64 Ų6415.7 Ų15.742%0.4168%0.078SC..Hα-helixtrans-59.8-32-178.1-27.635.5000115.2Q334P330-Q334 VanDerWaalsContact O-CG 3.26Å; P330-Q334 WeakPolarHBondContact O-CG 3.5Å; P330-Q334 PolarHBondContact O-N 3.35Å
331K94.6Very high96.6Very high119 Ų11916.8 Ų16.852%0.5178%0.083SC..Hα-helixtrans-76.1-43.8-178.6-60.6-177.3179.7-175.20110.5D329 A333 Q334 F335 F425D329-K331 VanDerWaalsContact C-N 3.3Å; D329-K331 PolarHBondContact O-N 3.13Å; D329-K331 WeakPolarHBondContact OD2-CA 3.33Å; D329-K331 WeakPolarHBondContact OD2-CB 3.36Å; D329-K331 PolarHBondContact OD2-N 2.96Å; K331-A333 VanDerWaalsContact C-N 3.34Å; K331-Q334 PolarHBondContact O-N 2.81Å; K331-F335 PolarHBondContact O-N 3.2Å; K331-F425 HydrophobicContact CB-CB 4.39Å
332F96.5Very high96.5Very high2 Ų216.9 Ų16.91%0.0098%0.084CC..Hα-helixtrans-63.2-41.8173.7-171.7-91.6000111.5L326 L327 D329 Q334 F335 S336 I362 Y376 F425L326-F332 VanDerWaalsContact C-CD1 3.5Å; L326-F332 HydrophobicContact CB-CB 4.47Å; L326-F332 HydrophobicContact CB-CD1 3.52Å; L326-F332 HydrophobicContact CB-CD2 4.16Å; L326-F332 HydrophobicContact CB-CE1 3.62Å; L326-F332 HydrophobicContact CB-CE2 4.26Å; L326-F332 HydrophobicContact CB-CG 3.78Å; L326-F332 HydrophobicContact CB-CZ 3.98Å; L326-F332 HydrophobicContact CD1-CD2 4.14Å; L326-F332 HydrophobicContact CD1-CE1 4.43Å; L326-F332 HydrophobicContact CD1-CE2 3.82Å; L326-F332 HydrophobicContact CD1-CZ 3.95Å; L326-F332 WeakPolarHBondContact O-CB 3.43Å; L326-F332 WeakPolarHBondContact O-CD1 2.9Å; L327-F332 HydrophobicContact CD2-CD1 4.3Å; L327-F332 HydrophobicContact CD2-CE1 4.16Å; D329-F332 HydrophobicContact CB-CB 4.16Å; D329-F332 PolarHBondContact O-N 2.9Å; D329-F332 PolarHBondContact OD2-N 3.35Å; F332-Q334 PolarHBondContact O-N 2.78Å; F332-F335 HydrophobicContact CD2-CD1 4.36Å; F332-F335 HydrophobicContact CE2-CD1 4.3Å; F332-F335 WeakPolarHBondContact O-CB 3.5Å; F332-F335 PolarHBondContact O-N 3.03Å; F332-S336 WeakPolarHBondContact CE1-OG 3.39Å; F332-S336 PolarHBondContact O-N 3.41Å; F332-S336 PolarHBondContact O-OG 3.31Å; F332-S336 VanDerWaalsContact O-OG 3.08Å; F332-I362 HydrophobicContact CE2-CG1 4.4Å; F332-I362 HydrophobicContact CZ-CB 4.31Å; F332-I362 HydrophobicContact CZ-CG1 3.88Å; F332-I362 HydrophobicContact CZ-CG2 4.05Å; F332-Y376 HydrophobicContact CD2-CD2 4.44Å; F332-Y376 AromaticContact CE2-CD2 3.64Å; F332-Y376 HydrophobicContact CE2-CD2 3.64Å; F332-Y376 AromaticContact CE2-CE2 3.87Å; F332-Y376 HydrophobicContact CE2-CE2 3.87Å; F332-Y376 HydrophobicContact CZ-CD2 4.47Å; F332-F425 HydrophobicContact CB-CD2 4.16Å; F332-F425 HydrophobicContact CB-CE2 4.28Å; F332-F425 HydrophobicContact CD2-CD1 4.06Å; F332-F425 HydrophobicContact CD2-CD2 4.4Å; F332-F425 AromaticContact CD2-CE1 3.89Å; F332-F425 HydrophobicContact CD2-CE1 3.89Å; F332-F425 HydrophobicContact CD2-CE2 4.23Å; F332-F425 HydrophobicContact CD2-CG 4.33Å; F332-F425 AromaticContact CD2-CZ 3.99Å; F332-F425 HydrophobicContact CD2-CZ 3.99Å; F332-F425 HydrophobicContact CE2-CE1 4.39Å
333A96.7Very high96.4Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-58-44.6173.700000112.8F273 D329 K331 S336 Q337F273-A333 HydrophobicContact CD2-CB 3.58Å; F273-A333 HydrophobicContact CE2-CB 3.66Å; F273-A333 VanDerWaalsContact CE2-O 3.31Å; F273-A333 WeakPolarHBondContact CE2-O 3.26Å; D329-A333 VanDerWaalsContact O-CB 3.3Å; D329-A333 WeakPolarHBondContact O-CB 3.36Å; D329-A333 PolarHBondContact O-N 2.94Å; K331-A333 VanDerWaalsContact C-N 3.34Å; A333-S336 PolarHBondContact O-N 3.04Å; A333-Q337 WeakPolarHBondContact O-CB 3.4Å; A333-Q337 PolarHBondContact O-N 2.88Å
334Q94.5Very high96.2Very high74 Ų7416.9 Ų16.935%0.3469%0.085SC..Hα-helixtrans-62.5-42.3174.7-75.7174.71200112.1P330 K331 F332 Q337 E338 K429P330-Q334 VanDerWaalsContact O-CG 3.26Å; P330-Q334 WeakPolarHBondContact O-CG 3.5Å; P330-Q334 PolarHBondContact O-N 3.35Å; K331-Q334 PolarHBondContact O-N 2.81Å; F332-Q334 PolarHBondContact O-N 2.78Å; Q334-Q337 PolarHBondContact O-N 2.97Å; Q334-E338 PolarHBondContact O-N 2.94Å; Q334-K429 HydrophobicContact CB-CD 4.16Å
335F94.9Very high96Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-58.2-50.2174.9168.6-116.9000111.7K331 F332 Q337 E338 I339 T361 I362 A428 K429 M432K331-F335 PolarHBondContact O-N 3.2Å; F332-F335 HydrophobicContact CD2-CD1 4.36Å; F332-F335 HydrophobicContact CE2-CD1 4.3Å; F332-F335 WeakPolarHBondContact O-CB 3.5Å; F332-F335 PolarHBondContact O-N 3.03Å; F335-Q337 VanDerWaalsContact C-N 3.33Å; F335-Q337 PolarHBondContact O-N 2.7Å; F335-E338 WeakPolarHBondContact O-CB 3.42Å; F335-E338 PolarHBondContact O-N 3.38Å; F335-I339 HydrophobicContact CE1-CD1 4.28Å; F335-I339 HydrophobicContact CE2-CD1 4.2Å; F335-I339 HydrophobicContact CE2-CG1 4.49Å; F335-I339 HydrophobicContact CZ-CD1 3.87Å; F335-I339 PolarHBondContact O-N 3.12Å; F335-T361 HydrophobicContact CZ-CG2 3.96Å; F335-T361 WeakPolarHBondContact CZ-OG1 3.23Å; F335-I362 HydrophobicContact CD1-CD1 4.4Å; F335-I362 HydrophobicContact CD1-CG1 4.27Å; F335-I362 HydrophobicContact CE1-CD1 4.15Å; F335-I362 HydrophobicContact CE1-CG1 3.72Å; F335-A428 HydrophobicContact CD2-CB 4.19Å; F335-A428 HydrophobicContact CE2-CB 3.83Å; F335-A428 HydrophobicContact CZ-CB 4.15Å; F335-K429 HydrophobicContact CB-CB 4.24Å; F335-K429 HydrophobicContact CD2-CB 4.09Å; F335-M432 HydrophobicContact CD2-CG 4.5Å; F335-M432 HydrophobicContact CE2-CB 4.26Å; F335-M432 HydrophobicContact CE2-CG 3.61Å; F335-M432 HydrophobicContact CZ-CG 4.39Å
336S96.3Very high95.7Very high1 Ų117 Ų171%0.0079%0.086CC..Hα-helixtrans-60.6-41.3177.2-55.80000112.5F332 A333 E338 I339 G340 I362F332-S336 WeakPolarHBondContact CE1-OG 3.39Å; F332-S336 PolarHBondContact O-N 3.41Å; F332-S336 PolarHBondContact O-OG 3.31Å; F332-S336 VanDerWaalsContact O-OG 3.08Å; A333-S336 PolarHBondContact O-N 3.04Å; S336-E338 VanDerWaalsContact C-N 3.32Å; S336-E338 PolarHBondContact O-N 2.88Å; S336-I339 PolarHBondContact O-N 2.88Å; S336-G340 PolarHBondContact O-N 3.26Å; S336-I362 VanDerWaalsContact OG-CD1 3.25Å; S336-I362 WeakPolarHBondContact OG-CD1 3.43Å
337Q96.1Very high95.5Very high14 Ų1419 Ų197%0.06510%0.1CC..Hα-helixtrans-63.8-37.9176.9-175.4177.425.900112L291 A292 R294 A333 Q334 F335 I339 G340 L341L291-Q337 WeakPolarHBondContact O-CA 3.46Å; A292-Q337 PolarHBondContact O-NE2 3.15Å; R294-Q337 HydrophobicContact CG-CB 4.35Å; R294-Q337 HydrophobicContact CG-CG 4.22Å; R294-Q337 VanDerWaalsContact CZ-OE1 3.29Å; A333-Q337 WeakPolarHBondContact O-CB 3.4Å; A333-Q337 PolarHBondContact O-N 2.88Å; Q334-Q337 PolarHBondContact O-N 2.97Å; F335-Q337 VanDerWaalsContact C-N 3.33Å; F335-Q337 PolarHBondContact O-N 2.7Å; Q337-I339 VanDerWaalsContact C-N 3.31Å; Q337-I339 PolarHBondContact O-N 2.93Å; Q337-G340 PolarHBondContact O-N 3.18Å; Q337-G340 VanDerWaalsContact O-N 3.1Å; Q337-L341 HydrophobicContact CG-CD1 4.05Å; Q337-L341 HydrophobicContact CG-CG 4.23Å; Q337-L341 WeakPolarHBondContact O-CG 3.33Å; Q337-L341 PolarHBondContact O-N 2.92Å
338E93.9Very high95.1Very high35 Ų3522.2 Ų22.216%0.16412%0.117CC..Hα-helixtrans-61-40.3178.8-162.470.6-138.400111.9Q334 F335 S336 G340 L341 A342 R433Q334-E338 PolarHBondContact O-N 2.94Å; F335-E338 WeakPolarHBondContact O-CB 3.42Å; F335-E338 PolarHBondContact O-N 3.38Å; S336-E338 VanDerWaalsContact C-N 3.32Å; S336-E338 PolarHBondContact O-N 2.88Å; E338-G340 VanDerWaalsContact C-N 3.32Å; E338-G340 PolarHBondContact O-N 3.11Å; E338-L341 PolarHBondContact O-N 3.16Å; E338-A342 WeakPolarHBondContact O-CB 3.41Å; E338-A342 PolarHBondContact O-N 3.46Å; E338-R433 VanDerWaalsContact CD-NE 3.32Å; E338-R433 HydrophobicContact CG-CG 3.58Å; E338-R433 WeakPolarHBondContact OE1-CG 3.38Å; E338-R433 IonicContact OE1-NE 3.67Å; E338-R433 IonicContact OE2-CZ 3.24Å; E338-R433 VanDerWaalsContact OE2-CZ 3.29Å; E338-R433 IonicContact OE2-NE 2.61Å; E338-R433 PolarHBondContact OE2-NE 3.24Å; E338-R433 IonicContact OE2-NH2 2.76Å; E338-R433 PolarHBondContact OE2-NH2 3.29Å
339I94.9Very high94.8Very high0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-61.6-43.3173.8-56.2-175.2000110.4L288 F335 S336 Q337 A342 S343 Y358 I362 M432L288-I339 HydrophobicContact CD2-CG2 3.92Å; F335-I339 HydrophobicContact CE1-CD1 4.28Å; F335-I339 HydrophobicContact CE2-CD1 4.2Å; F335-I339 HydrophobicContact CE2-CG1 4.49Å; F335-I339 HydrophobicContact CZ-CD1 3.87Å; F335-I339 PolarHBondContact O-N 3.12Å; S336-I339 PolarHBondContact O-N 2.88Å; Q337-I339 VanDerWaalsContact C-N 3.31Å; Q337-I339 PolarHBondContact O-N 2.93Å; I339-A342 WeakPolarHBondContact O-CB 3.42Å; I339-A342 PolarHBondContact O-N 3.02Å; I339-S343 PolarHBondContact O-N 3.16Å; I339-Y358 HydrophobicContact CD1-CD2 4.45Å; I339-I362 HydrophobicContact CD1-CD1 3.89Å; I339-I362 HydrophobicContact CD1-CG1 4.48Å; I339-M432 HydrophobicContact CG1-CE 4.11Å; I339-M432 HydrophobicContact CG1-CG 4.47Å
340G96.3Very high94.7Very high0 Ų028.6 Ų28.60%015%0.147CC..Hα-helixtrans-65-42.117700000113.4L288 S336 Q337 E338 A342 S343L288-G340 WeakPolarHBondContact O-CA 3.26Å; S336-G340 PolarHBondContact O-N 3.26Å; Q337-G340 PolarHBondContact O-N 3.18Å; Q337-G340 VanDerWaalsContact O-N 3.1Å; E338-G340 VanDerWaalsContact C-N 3.32Å; E338-G340 PolarHBondContact O-N 3.11Å; G340-A342 VanDerWaalsContact C-N 3.26Å; G340-A342 PolarHBondContact O-N 3.09Å; G340-S343 PolarHBondContact O-N 3.12Å; G340-S343 VanDerWaalsContact O-N 3.1Å; G340-S343 PolarHBondContact O-OG 3.2Å
341L95.5Very high94.6Very high23 Ų2325.9 Ų25.912%0.1213%0.129CC..Hα-helixtrans-63.9-34.4176.5-69.4169.8000112A292 Q337 E338 S343 L344 R441 V445 F447 I454A292-L341 HydrophobicContact CB-CD2 4.02Å; A292-L341 HydrophobicContact CB-CG 4.33Å; Q337-L341 HydrophobicContact CG-CD1 4.05Å; Q337-L341 HydrophobicContact CG-CG 4.23Å; Q337-L341 WeakPolarHBondContact O-CG 3.33Å; Q337-L341 PolarHBondContact O-N 2.92Å; E338-L341 PolarHBondContact O-N 3.16Å; L341-S343 VanDerWaalsContact C-N 3.28Å; L341-S343 PolarHBondContact O-N 3.27Å; L341-L344 HydrophobicContact CD2-CD1 4.36Å; L341-R441 PolarHBondContact O-NH1 3.24Å; L341-V445 HydrophobicContact CB-CG2 4.23Å; L341-V445 HydrophobicContact CD2-CG2 4.16Å; L341-V445 WeakPolarHBondContact O-CG2 3.45Å; L341-F447 HydrophobicContact CD2-CB 3.93Å; L341-I454 HydrophobicContact CD2-CD1 3.65Å
342A94.9Very high94.5Very high3 Ų321.7 Ų21.73%0.02511%0.111CC..Hα-helixtrans-66.7-28.1174.900000112.5E338 I339 G340 L354 A436 I439E338-A342 WeakPolarHBondContact O-CB 3.41Å; E338-A342 PolarHBondContact O-N 3.46Å; I339-A342 WeakPolarHBondContact O-CB 3.42Å; I339-A342 PolarHBondContact O-N 3.02Å; G340-A342 VanDerWaalsContact C-N 3.26Å; G340-A342 PolarHBondContact O-N 3.09Å; A342-L354 VanDerWaalsContact C-CD1 3.49Å; A342-L354 HydrophobicContact CB-CD1 3.85Å; A342-L354 HydrophobicContact CB-CD2 3.82Å; A342-L354 HydrophobicContact CB-CG 4.5Å; A342-A436 HydrophobicContact CB-CB 3.75Å; A342-I439 HydrophobicContact CB-CD1 3.88Å
343S95.6Very high94.4Very high2 Ų224.1 Ų24.11%0.01412%0.122CC..Hα-helixtrans-81.1-20-178.1780000114.2L288 A289 I339 G340 L341 G345 A346L288-S343 WeakPolarHBondContact CB-OG 3.49Å; A289-S343 PolarHBondContact N-OG 3.06Å; I339-S343 PolarHBondContact O-N 3.16Å; G340-S343 PolarHBondContact O-N 3.12Å; G340-S343 VanDerWaalsContact O-N 3.1Å; G340-S343 PolarHBondContact O-OG 3.2Å; L341-S343 VanDerWaalsContact C-N 3.28Å; L341-S343 PolarHBondContact O-N 3.27Å; S343-G345 PolarHBondContact O-N 3.13Å; S343-A346 WeakPolarHBondContact O-CB 3.29Å; S343-A346 PolarHBondContact O-N 3.41Å
344L95Very high94.4Very high1 Ų124.1 Ų24.11%0.00512%0.122CC..THydrogen-bonded Turntrans-66.6118-177.8-57-176000111.5F154 A289 A292 L341 A346 R441 V445 I454F154-L344 HydrophobicContact CB-CB 4.34Å; F154-L344 HydrophobicContact CB-CD2 4.03Å; F154-L344 HydrophobicContact CD2-CB 3.86Å; F154-L344 HydrophobicContact CD2-CD1 4.21Å; F154-L344 HydrophobicContact CD2-CD2 4.16Å; F154-L344 HydrophobicContact CD2-CG 4.3Å; F154-L344 HydrophobicContact CE2-CB 4.3Å; F154-L344 HydrophobicContact CG-CB 3.99Å; F154-L344 HydrophobicContact CG-CD2 4.39Å; A289-L344 HydrophobicContact CB-CD2 3.9Å; A292-L344 HydrophobicContact CB-CD1 3.8Å; A292-L344 HydrophobicContact CB-CD2 4.06Å; A292-L344 HydrophobicContact CB-CG 4.05Å; L341-L344 HydrophobicContact CD2-CD1 4.36Å; L344-A346 PolarHBondContact O-N 3.42Å; L344-R441 PolarHBondContact O-NH1 2.7Å; L344-V445 HydrophobicContact CB-CG1 4.44Å; L344-V445 HydrophobicContact CD1-CG2 4.41Å; L344-I454 HydrophobicContact CD1-CB 4.41Å; L344-I454 HydrophobicContact CD1-CD1 3.47Å; L344-I454 VanDerWaalsContact CD1-CD1 3.47Å; L344-I454 HydrophobicContact CD1-CG1 3.58Å; L344-I454 HydrophobicContact CD1-CG2 4.09Å
345G92.6Very high94.3Very high3 Ų320.6 Ų20.63%0.03111%0.105CC..THydrogen-bonded Turntrans68.410.5-177.500000114.8S343S343-G345 PolarHBondContact O-N 3.13Å
346A93.9Very high94.3Very high0 Ų021 Ų210%011%0.108CC..  trans-74.6152.6175.500000111.3R285 S343 L344 D350 V351 I439R285-A346 VanDerWaalsContact CZ-O 3.24Å; R285-A346 PolarHBondContact NH1-O 2.86Å; R285-A346 PolarHBondContact NH2-O 3.38Å; S343-A346 WeakPolarHBondContact O-CB 3.29Å; S343-A346 PolarHBondContact O-N 3.41Å; L344-A346 PolarHBondContact O-N 3.42Å; A346-D350 HydrophobicContact CB-CB 4.23Å; A346-V351 HydrophobicContact CB-CG2 4Å; A346-I439 HydrophobicContact CB-CG2 3.67Å
347S92.8Very high94.3Very high42 Ų4221 Ų2129%0.29411%0.108SC..  trans-61.4159.8172.671.50000112E349 D350 V351S347-E349 PolarHBondContact O-N 3.49Å; S347-D350 PolarHBondContact O-N 3.07Å; S347-D350 WeakPolarHBondContact OG-CB 3.32Å; S347-D350 VanDerWaalsContact OG-CG 3.26Å; S347-D350 PolarHBondContact OG-N 3.31Å; S347-D350 VanDerWaalsContact OG-N 3.12Å; S347-D350 PolarHBondContact OG-OD2 3.38Å; S347-V351 WeakPolarHBondContact O-CG2 3.37Å; S347-V351 PolarHBondContact O-N 3.23Å
348D90.4Very high94.3Very high70 Ų7020.3 Ų20.337%0.37411%0.105SC..Hα-helixtrans-60.1-35.3176.2-75.8-13.3000112.3S19 R285 Q352S19-D348 VanDerWaalsContact CB-OD2 3.29Å; S19-D348 WeakPolarHBondContact CB-OD2 3.32Å; R285-D348 IonicContact CZ-OD1 2.75Å; R285-D348 IonicContact NE-OD1 3.63Å; R285-D348 PolarHBondContact NE-OD1 2.99Å; R285-D348 IonicContact NH2-OD1 3.39Å; R285-D348 PolarHBondContact NH2-OD1 3.09Å; D348-Q352 PolarHBondContact O-N 3.28Å
349E92.6Very high94.3Very high131 Ų13118.7 Ų18.761%0.61210%0.097SC*.Hα-helixtrans-63.8-45.4175.6-168.4-167.1141.400111.5S347 Q352 K353S347-E349 PolarHBondContact O-N 3.49Å; E349-Q352 WeakPolarHBondContact O-CB 3.49Å; E349-Q352 PolarHBondContact O-N 3.31Å; E349-K353 WeakPolarHBondContact O-CG 3.36Å; E349-K353 PolarHBondContact O-N 3.49Å; E349-K353 WeakPolarHBondContact OE1-CE 3.34Å; E349-K353 IonicContact OE1-NZ 2.7Å; E349-K353 PolarHBondContact OE1-NZ 3.27Å
350D94.6Very high94.3Very high17 Ų1718.7 Ų18.79%0.09110%0.097CC..Hα-helixtrans-72-35.5179.6-67.1-33.3000112A346 S347 Q352 K353 L354 I439A346-D350 HydrophobicContact CB-CB 4.23Å; S347-D350 PolarHBondContact O-N 3.07Å; S347-D350 WeakPolarHBondContact OG-CB 3.32Å; S347-D350 VanDerWaalsContact OG-CG 3.26Å; S347-D350 PolarHBondContact OG-N 3.31Å; S347-D350 VanDerWaalsContact OG-N 3.12Å; S347-D350 PolarHBondContact OG-OD2 3.38Å; D350-Q352 VanDerWaalsContact C-N 3.28Å; D350-Q352 PolarHBondContact O-N 3.48Å; D350-K353 PolarHBondContact O-N 3.22Å; D350-K353 IonicContact OD1-NZ 3.74Å; D350-K353 PolarHBondContact OD1-NZ 2.74Å; D350-L354 WeakPolarHBondContact O-CB 3.41Å; D350-L354 WeakPolarHBondContact O-CG 3.47Å; D350-L354 PolarHBondContact O-N 3.06Å; D350-I439 HydrophobicContact CB-CG1 4.28Å; D350-I439 HydrophobicContact CB-CG2 4.04Å
351V93.8Very high94.3Very high6 Ų618.7 Ų18.74%0.03610%0.097CC..Hα-helixtrans-58.7-42.5169.7169.20000110.4P284 R285 L288 A346 S347 K353 L354 A355P284-V351 HydrophobicContact CB-CG1 3.9Å; R285-V351 HydrophobicContact CB-CG1 4.19Å; L288-V351 HydrophobicContact CD1-CG1 4.46Å; A346-V351 HydrophobicContact CB-CG2 4Å; S347-V351 WeakPolarHBondContact O-CG2 3.37Å; S347-V351 PolarHBondContact O-N 3.23Å; V351-K353 PolarHBondContact O-N 3.35Å; V351-L354 PolarHBondContact O-N 3.24Å; V351-A355 VanDerWaalsContact O-CB 3.24Å; V351-A355 WeakPolarHBondContact O-CB 3.38Å; V351-A355 PolarHBondContact O-N 3.07Å
352Q92.8Very high94.3Very high31 Ų3117.7 Ų17.715%0.1459%0.092CC..Hα-helixtrans-63.5-41.3176.6-17460.25100112.2F8 D348 E349 D350 A355 T356F8-Q352 PolarHBondContact O-NE2 2.89Å; D348-Q352 PolarHBondContact O-N 3.28Å; E349-Q352 WeakPolarHBondContact O-CB 3.49Å; E349-Q352 PolarHBondContact O-N 3.31Å; D350-Q352 VanDerWaalsContact C-N 3.28Å; D350-Q352 PolarHBondContact O-N 3.48Å; Q352-A355 WeakPolarHBondContact O-CB 3.43Å; Q352-A355 PolarHBondContact O-N 3.31Å; Q352-T356 PolarHBondContact O-N 3.23Å; Q352-T356 PolarHBondContact O-OG1 2.89Å; Q352-T356 VanDerWaalsContact O-OG1 3.12Å
353K94.9Very high94.3Very high53 Ų5317.9 Ų17.923%0.239%0.092CC..Hα-helixtrans-61.7-45174.4-68.4170.8-166.5151.40111.8E349 D350 V351 A355 T356 C357 C406 F435E349-K353 WeakPolarHBondContact O-CG 3.36Å; E349-K353 PolarHBondContact O-N 3.49Å; E349-K353 WeakPolarHBondContact OE1-CE 3.34Å; E349-K353 IonicContact OE1-NZ 2.7Å; E349-K353 PolarHBondContact OE1-NZ 3.27Å; D350-K353 PolarHBondContact O-N 3.22Å; D350-K353 IonicContact OD1-NZ 3.74Å; D350-K353 PolarHBondContact OD1-NZ 2.74Å; V351-K353 PolarHBondContact O-N 3.35Å; K353-A355 VanDerWaalsContact C-N 3.31Å; K353-A355 PolarHBondContact O-N 3.18Å; K353-T356 PolarHBondContact O-N 3.23Å; K353-C357 PolarHBondContact O-N 2.71Å; K353-C357 PolarHBondContact O-SG 2.87Å; K353-C406 HydrophobicContact CB-CB 3.84Å; K353-C406 HydrophobicContact CG-CB 4.16Å; K353-F435 HydrophobicContact CB-CE1 4.29Å; K353-F435 HydrophobicContact CB-CZ 3.98Å; K353-F435 HydrophobicContact CD-CZ 4.27Å
354L95.2Very high94.3Very high0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-61.4-40.8175.7-74.1174.9000111.7L288 A342 D350 V351 C357 Y358 M432 F435 I439L288-L354 HydrophobicContact CD1-CB 4.01Å; A342-L354 VanDerWaalsContact C-CD1 3.49Å; A342-L354 HydrophobicContact CB-CD1 3.85Å; A342-L354 HydrophobicContact CB-CD2 3.82Å; A342-L354 HydrophobicContact CB-CG 4.5Å; D350-L354 WeakPolarHBondContact O-CB 3.41Å; D350-L354 WeakPolarHBondContact O-CG 3.47Å; D350-L354 PolarHBondContact O-N 3.06Å; V351-L354 PolarHBondContact O-N 3.24Å; L354-C357 WeakPolarHBondContact O-CB 3.34Å; L354-C357 PolarHBondContact O-N 2.85Å; L354-Y358 WeakPolarHBondContact O-CB 3.28Å; L354-Y358 PolarHBondContact O-N 3.42Å; L354-M432 HydrophobicContact CD2-CE 3.61Å; L354-F435 HydrophobicContact CD2-CD1 4.22Å; L354-F435 HydrophobicContact CD2-CE1 4.18Å; L354-I439 HydrophobicContact CD1-CD1 3.73Å; L354-I439 HydrophobicContact CD2-CD1 3.96Å; L354-I439 HydrophobicContact CG-CD1 3.97Å
355A94Very high94.4Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-62.5-43.7177.200000110.5F8 P284 L288 V351 Q352 K353 C357 Y358 F359F8-A355 HydrophobicContact CD1-CB 3.44Å; F8-A355 VanDerWaalsContact CD1-CB 3.44Å; F8-A355 WeakPolarHBondContact CD1-O 3.28Å; F8-A355 HydrophobicContact CE1-CB 3.68Å; F8-A355 VanDerWaalsContact CE1-O 3.24Å; F8-A355 WeakPolarHBondContact CE1-O 3.14Å; P284-A355 HydrophobicContact CB-CB 4.04Å; L288-A355 HydrophobicContact CD1-CB 4.36Å; V351-A355 VanDerWaalsContact O-CB 3.24Å; V351-A355 WeakPolarHBondContact O-CB 3.38Å; V351-A355 PolarHBondContact O-N 3.07Å; Q352-A355 WeakPolarHBondContact O-CB 3.43Å; Q352-A355 PolarHBondContact O-N 3.31Å; K353-A355 VanDerWaalsContact C-N 3.31Å; K353-A355 PolarHBondContact O-N 3.18Å; A355-C357 PolarHBondContact O-N 3.44Å; A355-Y358 WeakPolarHBondContact O-CB 3.23Å; A355-Y358 PolarHBondContact O-N 3.49Å; A355-F359 WeakPolarHBondContact O-CB 3.44Å; A355-F359 PolarHBondContact O-N 3.1Å
356T94.7Very high94.6Very high9 Ų917.6 Ų17.66%0.0559%0.09CC..Hα-helixtrans-62-41.3172.8-55.30000112.2Q352 K353 F359 F360 T405 C406 Q408Q352-T356 PolarHBondContact O-N 3.23Å; Q352-T356 PolarHBondContact O-OG1 2.89Å; Q352-T356 VanDerWaalsContact O-OG1 3.12Å; K353-T356 PolarHBondContact O-N 3.23Å; T356-F359 WeakPolarHBondContact O-CB 3.4Å; T356-F359 PolarHBondContact O-N 2.91Å; T356-F360 HydrophobicContact CG2-CD2 3.79Å; T356-F360 HydrophobicContact CG2-CE2 3.87Å; T356-F360 WeakPolarHBondContact O-CD2 3.33Å; T356-F360 PolarHBondContact O-N 3.01Å; T356-T405 VanDerWaalsContact CG2-O 3.29Å; T356-T405 WeakPolarHBondContact CG2-O 3.39Å; T356-C406 WeakPolarHBondContact CG2-O 3.48Å; T356-Q408 WeakPolarHBondContact CG2-O 3.49Å
357C95.7Very high94.7Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-63-42.7174.5-72.10000112.1K353 L354 A355 F359 F360 T361 M432K353-C357 PolarHBondContact O-N 2.71Å; K353-C357 PolarHBondContact O-SG 2.87Å; L354-C357 WeakPolarHBondContact O-CB 3.34Å; L354-C357 PolarHBondContact O-N 2.85Å; A355-C357 PolarHBondContact O-N 3.44Å; C357-F359 VanDerWaalsContact C-N 3.34Å; C357-F359 PolarHBondContact O-N 3.12Å; C357-F360 PolarHBondContact O-N 3.48Å; C357-T361 WeakPolarHBondContact O-CB 3.34Å; C357-T361 WeakPolarHBondContact O-CG2 3.48Å; C357-T361 PolarHBondContact O-N 3.45Å; C357-T361 VanDerWaalsContact O-N 3.13Å; C357-T361 PolarHBondContact O-OG1 3.1Å; C357-M432 HydrophobicContact CB-CE 3.86Å; C357-M432 HydrophobicContact CB-SD 3.81Å
358Y95.5Very high94.7Very high1 Ų120.4 Ų20.40%0.00410%0.097CC..Hα-helixtrans-57.6-47.1173.8175-80.1000110.7F8 F287 L288 L291 H323 I339 L354 A355 F360 T361 I362 E363F8-Y358 AromaticContact CE1-CD1 3.64Å; F8-Y358 HydrophobicContact CE1-CD1 3.64Å; F8-Y358 HydrophobicContact CE1-CE1 4.37Å; F8-Y358 HydrophobicContact CE1-CG 4.29Å; F8-Y358 AromaticContact CE2-CD1 3.99Å; F8-Y358 HydrophobicContact CE2-CD1 3.99Å; F8-Y358 HydrophobicContact CE2-CE1 4.07Å; F8-Y358 AromaticContact CZ-CD1 3.19Å; F8-Y358 HydrophobicContact CZ-CD1 3.19Å; F8-Y358 AromaticContact CZ-CE1 3.5Å; F8-Y358 HydrophobicContact CZ-CE1 3.5Å; F8-Y358 VanDerWaalsContact CZ-CE1 3.5Å; F8-Y358 HydrophobicContact CZ-CG 4.2Å; F287-Y358 HydrophobicContact CE1-CE1 4.15Å; F287-Y358 AromaticContact CE1-CE2 3.89Å; F287-Y358 HydrophobicContact CE1-CE2 3.89Å; F287-Y358 AromaticContact CE1-CZ 3.61Å; L288-Y358 HydrophobicContact CD2-CD2 3.9Å; L288-Y358 HydrophobicContact CD2-CG 4.17Å; L291-Y358 HydrophobicContact CD1-CD2 3.81Å; L291-Y358 HydrophobicContact CD1-CE2 3.59Å; H323-Y358 PolarHBondContact CE1-OH 3.27Å; H323-Y358 VanDerWaalsContact CE1-OH 3.26Å; I339-Y358 HydrophobicContact CD1-CD2 4.45Å; L354-Y358 WeakPolarHBondContact O-CB 3.28Å; L354-Y358 PolarHBondContact O-N 3.42Å; A355-Y358 WeakPolarHBondContact O-CB 3.23Å; A355-Y358 PolarHBondContact O-N 3.49Å; Y358-F360 PolarHBondContact O-N 3.18Å; Y358-T361 CarbonylContact O-C 3.55Å; Y358-T361 PolarHBondContact O-N 2.92Å; Y358-T361 PolarHBondContact O-OG1 3.31Å; Y358-I362 HydrophobicContact CD2-CB 3.99Å; Y358-I362 HydrophobicContact CD2-CD1 3.57Å; Y358-I362 HydrophobicContact CD2-CG1 4.19Å; Y358-I362 HydrophobicContact CD2-CG2 4.37Å; Y358-I362 HydrophobicContact CE1-CB 4.33Å; Y358-I362 HydrophobicContact CE1-CG2 4.26Å; Y358-I362 HydrophobicContact CE2-CB 3.73Å; Y358-I362 HydrophobicContact CE2-CD1 3.52Å; Y358-I362 HydrophobicContact CE2-CG1 4.15Å; Y358-I362 HydrophobicContact CE2-CG2 3.59Å; Y358-I362 HydrophobicContact CG-CB 4.34Å; Y358-I362 PolarHBondContact O-N 3.13Å; Y358-I362 WeakPolarHBondContact OH-CG2 3.41Å; Y358-E363 HydrophobicContact CD1-CG 3.99Å; Y358-E363 HydrophobicContact CE1-CG 3.54Å; Y358-E363 WeakPolarHBondContact CE1-OE1 3.07Å; Y358-E363 PolarHBondContact O-N 3.22Å; Y358-E363 PolarHBondContact OH-OE1 3.21Å
359F94.4Very high94.8Very high0 Ų019 Ų190%09%0.088CC..Iπ-helixtrans-56.7-52.7177.7-177.8-71.6000111.8M5 F8 A355 T356 C357 T361 E363 F364 C410 Q416M5-F359 HydrophobicContact CB-CD2 3.72Å; M5-F359 HydrophobicContact CB-CE2 3.33Å; M5-F359 HydrophobicContact CB-CZ 4.34Å; M5-F359 HydrophobicContact CE-CD2 4.11Å; M5-F359 HydrophobicContact CE-CE1 3.88Å; M5-F359 HydrophobicContact CE-CE2 3.25Å; M5-F359 HydrophobicContact CE-CZ 3.07Å; M5-F359 HydrophobicContact CG-CD2 3.99Å; M5-F359 HydrophobicContact CG-CE2 3.77Å; M5-F359 HydrophobicContact SD-CD1 4.16Å; M5-F359 HydrophobicContact SD-CD2 3.14Å; M5-F359 WeakPolarHBondContact SD-CD2 3.25Å; M5-F359 HydrophobicContact SD-CE1 3.89Å; M5-F359 HydrophobicContact SD-CE2 2.92Å; M5-F359 WeakPolarHBondContact SD-CE2 3.38Å; M5-F359 HydrophobicContact SD-CG 3.82Å; M5-F359 HydrophobicContact SD-CZ 3.3Å; M5-F359 WeakPolarHBondContact SD-CZ 3.31Å; F8-F359 HydrophobicContact CB-CB 4.17Å; F8-F359 HydrophobicContact CB-CD2 3.41Å; F8-F359 VanDerWaalsContact CB-CD2 3.41Å; F8-F359 HydrophobicContact CB-CE2 4.1Å; F8-F359 HydrophobicContact CB-CG 4.21Å; F8-F359 HydrophobicContact CD1-CB 4.24Å; F8-F359 HydrophobicContact CD2-CB 4.25Å; F8-F359 AromaticContact CD2-CD2 3.56Å; F8-F359 HydrophobicContact CD2-CD2 3.56Å; F8-F359 HydrophobicContact CD2-CE2 4.46Å; F8-F359 HydrophobicContact CD2-CG 4.39Å; F8-F359 HydrophobicContact CG-CB 3.96Å; F8-F359 AromaticContact CG-CD2 3.65Å; F8-F359 HydrophobicContact CG-CD2 3.65Å; F8-F359 HydrophobicContact CG-CG 4.32Å; A355-F359 WeakPolarHBondContact O-CB 3.44Å; A355-F359 PolarHBondContact O-N 3.1Å; T356-F359 WeakPolarHBondContact O-CB 3.4Å; T356-F359 PolarHBondContact O-N 2.91Å; C357-F359 VanDerWaalsContact C-N 3.34Å; C357-F359 PolarHBondContact O-N 3.12Å; F359-T361 PolarHBondContact O-N 3.49Å; F359-T361 VanDerWaalsContact O-N 3.15Å; F359-E363 VanDerWaalsContact O-CB 3.28Å; F359-E363 WeakPolarHBondContact O-CB 3.45Å; F359-E363 PolarHBondContact O-N 2.82Å; F359-F364 HydrophobicContact CD1-CD2 4.39Å; F359-F364 HydrophobicContact CE1-CD2 4.15Å; F359-F364 PolarHBondContact O-N 3.18Å; F359-C410 HydrophobicContact CD1-CB 4.4Å; F359-C410 HydrophobicContact CD2-CB 3.81Å; F359-C410 HydrophobicContact CE1-CB 4.13Å; F359-C410 HydrophobicContact CE2-CB 3.36Å; F359-C410 HydrophobicContact CG-CB 4.28Å; F359-C410 HydrophobicContact CZ-CB 3.59Å; F359-Q416 HydrophobicContact CE1-CG 4.25Å; F359-Q416 VanDerWaalsContact CE1-OE1 3.24Å; F359-Q416 VanDerWaalsContact CZ-OE1 3.28Å
360F95.6Very high94.7Very high1 Ų121.9 Ų21.90%0.00410%0.102CC..Iπ-helixtrans-79.33.9-177.2-74.2-65.8000114.4T356 C357 Y358 G365 T405 Q408 Q416 A418 F420T356-F360 HydrophobicContact CG2-CD2 3.79Å; T356-F360 HydrophobicContact CG2-CE2 3.87Å; T356-F360 WeakPolarHBondContact O-CD2 3.33Å; T356-F360 PolarHBondContact O-N 3.01Å; C357-F360 PolarHBondContact O-N 3.48Å; Y358-F360 PolarHBondContact O-N 3.18Å; F360-G365 WeakPolarHBondContact O-CA 3.15Å; F360-T405 HydrophobicContact CB-CG2 3.39Å; F360-T405 HydrophobicContact CD2-CG2 3.9Å; F360-T405 HydrophobicContact CG-CG2 3.9Å; F360-Q408 HydrophobicContact CD2-CB 4.13Å; F360-Q408 HydrophobicContact CD2-CG 4.23Å; F360-Q408 HydrophobicContact CE1-CG 3.94Å; F360-Q408 HydrophobicContact CE2-CB 3.58Å; F360-Q408 HydrophobicContact CE2-CG 3.42Å; F360-Q408 VanDerWaalsContact CE2-CG 3.42Å; F360-Q408 HydrophobicContact CZ-CB 3.99Å; F360-Q408 HydrophobicContact CZ-CG 3.25Å; F360-Q416 HydrophobicContact CE1-CG 4.49Å; F360-A418 WeakPolarHBondContact CE1-O 3.15Å; F360-F420 HydrophobicContact CB-CD2 3.61Å; F360-F420 HydrophobicContact CB-CE2 4.09Å; F360-F420 HydrophobicContact CB-CG 4.36Å; F360-F420 AromaticContact CD1-CD2 3.49Å; F360-F420 HydrophobicContact CD1-CD2 3.49Å; F360-F420 VanDerWaalsContact CD1-CD2 3.49Å; F360-F420 AromaticContact CD1-CE2 3.55Å; F360-F420 HydrophobicContact CD1-CE2 3.55Å; F360-F420 HydrophobicContact CD2-CE2 4.18Å; F360-F420 HydrophobicContact CE1-CD2 4.34Å; F360-F420 HydrophobicContact CE1-CE2 4.02Å; F360-F420 AromaticContact CG-CD2 3.61Å; F360-F420 HydrophobicContact CG-CD2 3.61Å; F360-F420 AromaticContact CG-CE2 3.65Å; F360-F420 HydrophobicContact CG-CE2 3.65Å
361T95.7Very high94.4Very high0 Ų023.5 Ų23.50%012%0.123CC..Iπ-helixtrans-120.4-76.1173.456.40000111.4F335 C357 Y358 F359 E363 G365 Y376 F400F335-T361 HydrophobicContact CZ-CG2 3.96Å; F335-T361 WeakPolarHBondContact CZ-OG1 3.23Å; C357-T361 WeakPolarHBondContact O-CB 3.34Å; C357-T361 WeakPolarHBondContact O-CG2 3.48Å; C357-T361 PolarHBondContact O-N 3.45Å; C357-T361 VanDerWaalsContact O-N 3.13Å; C357-T361 PolarHBondContact O-OG1 3.1Å; Y358-T361 CarbonylContact O-C 3.55Å; Y358-T361 PolarHBondContact O-N 2.92Å; Y358-T361 PolarHBondContact O-OG1 3.31Å; F359-T361 PolarHBondContact O-N 3.49Å; F359-T361 VanDerWaalsContact O-N 3.15Å; T361-E363 VanDerWaalsContact C-N 3.3Å; T361-E363 PolarHBondContact O-N 2.86Å; T361-G365 WeakPolarHBondContact O-CA 3.47Å; T361-G365 PolarHBondContact O-N 3.23Å; T361-Y376 WeakPolarHBondContact CA-OH 3.31Å; T361-Y376 WeakPolarHBondContact CB-OH 3.48Å; T361-Y376 WeakPolarHBondContact O-CE2 3.49Å; T361-F400 HydrophobicContact CG2-CD1 4.23Å; T361-F400 HydrophobicContact CG2-CD2 3.7Å; T361-F400 HydrophobicContact CG2-CE1 3.84Å; T361-F400 HydrophobicContact CG2-CE2 3.26Å; T361-F400 HydrophobicContact CG2-CG 4.17Å; T361-F400 HydrophobicContact CG2-CZ 3.33Å
362I95.9Very high94.4Very high2 Ų229.2 Ų29.21%0.0115%0.149CC..Iπ-helixtrans-65.7-32.4-174.3-64.7-179.7000111.9F332 F335 S336 I339 Y358 G377 A378F332-I362 HydrophobicContact CE2-CG1 4.4Å; F332-I362 HydrophobicContact CZ-CB 4.31Å; F332-I362 HydrophobicContact CZ-CG1 3.88Å; F332-I362 HydrophobicContact CZ-CG2 4.05Å; F335-I362 HydrophobicContact CD1-CD1 4.4Å; F335-I362 HydrophobicContact CD1-CG1 4.27Å; F335-I362 HydrophobicContact CE1-CD1 4.15Å; F335-I362 HydrophobicContact CE1-CG1 3.72Å; S336-I362 VanDerWaalsContact OG-CD1 3.25Å; S336-I362 WeakPolarHBondContact OG-CD1 3.43Å; I339-I362 HydrophobicContact CD1-CD1 3.89Å; I339-I362 HydrophobicContact CD1-CG1 4.48Å; Y358-I362 HydrophobicContact CD2-CB 3.99Å; Y358-I362 HydrophobicContact CD2-CD1 3.57Å; Y358-I362 HydrophobicContact CD2-CG1 4.19Å; Y358-I362 HydrophobicContact CD2-CG2 4.37Å; Y358-I362 HydrophobicContact CE1-CB 4.33Å; Y358-I362 HydrophobicContact CE1-CG2 4.26Å; Y358-I362 HydrophobicContact CE2-CB 3.73Å; Y358-I362 HydrophobicContact CE2-CD1 3.52Å; Y358-I362 HydrophobicContact CE2-CG1 4.15Å; Y358-I362 HydrophobicContact CE2-CG2 3.59Å; Y358-I362 HydrophobicContact CG-CB 4.34Å; Y358-I362 PolarHBondContact O-N 3.13Å; Y358-I362 WeakPolarHBondContact OH-CG2 3.41Å; I362-G377 CarbonylContact O-C 3.54Å; I362-G377 WeakPolarHBondContact O-CA 3.45Å; I362-A378 PolarHBondContact O-N 3.2Å
363E95Very high94.5Very high6 Ų630.2 Ų30.23%0.02816%0.155CC..Iπ-helixtrans-89.4-45.3178.3-62-64.4158.800113.5M5 F8 H318 H323 Y358 F359 T361 G377 A378 G379M5-E363 HydrophobicContact SD-CB 3.87Å; M5-E363 HydrophobicContact SD-CG 4.2Å; F8-E363 HydrophobicContact CE2-CG 4.34Å; H318-E363 IonicContact CE1-OE2 2.86Å; H318-E363 PolarHBondContact CE1-OE2 2.89Å; H318-E363 VanDerWaalsContact CE1-OE2 3.31Å; H318-E363 IonicContact NE2-OE2 2.7Å; H323-E363 IonicContact CE1-OE1 2.62Å; H323-E363 PolarHBondContact CE1-OE1 2.82Å; H323-E363 IonicContact CE1-OE2 2.77Å; H323-E363 IonicContact NE2-OE1 3.8Å; H323-E363 PolarHBondContact NE2-OE1 3.12Å; H323-E363 VanDerWaalsContact NE2-OE1 3.16Å; H323-E363 IonicContact NE2-OE2 3.42Å; Y358-E363 HydrophobicContact CD1-CG 3.99Å; Y358-E363 HydrophobicContact CE1-CG 3.54Å; Y358-E363 WeakPolarHBondContact CE1-OE1 3.07Å; Y358-E363 PolarHBondContact O-N 3.22Å; Y358-E363 PolarHBondContact OH-OE1 3.21Å; F359-E363 VanDerWaalsContact O-CB 3.28Å; F359-E363 WeakPolarHBondContact O-CB 3.45Å; F359-E363 PolarHBondContact O-N 2.82Å; T361-E363 VanDerWaalsContact C-N 3.3Å; T361-E363 PolarHBondContact O-N 2.86Å; E363-G377 VanDerWaalsContact C-CA 3.41Å; E363-G377 CarbonylContact O-C 3.17Å; E363-G377 WeakPolarHBondContact O-CA 3.4Å; E363-A378 PolarHBondContact O-N 3.12Å; E363-A378 VanDerWaalsContact O-N 3.1Å; E363-G379 WeakPolarHBondContact O-CA 3.25Å; E363-G379 PolarHBondContact O-N 3.07Å
364F95.6Very high94.6Very high1 Ų130.5 Ų30.50%0.00416%0.155CC..THydrogen-bonded Turntrans-129.919.3-170.7-75.1-86.8000114.6M5 F359 L380 E386 Q416 Y419M5-F364 HydrophobicContact CE-CD2 3.47Å; M5-F364 VanDerWaalsContact CE-CD2 3.47Å; M5-F364 HydrophobicContact CE-CE1 4.33Å; M5-F364 HydrophobicContact CE-CE2 2.96Å; M5-F364 HydrophobicContact CE-CG 4.43Å; M5-F364 HydrophobicContact CE-CZ 3.39Å; M5-F364 HydrophobicContact CG-CE2 4.2Å; M5-F364 HydrophobicContact SD-CD2 3.25Å; M5-F364 WeakPolarHBondContact SD-CD2 3.27Å; M5-F364 HydrophobicContact SD-CE2 2.96Å; M5-F364 WeakPolarHBondContact SD-CE2 3.19Å; M5-F364 HydrophobicContact SD-CZ 3.99Å; F359-F364 HydrophobicContact CD1-CD2 4.39Å; F359-F364 HydrophobicContact CE1-CD2 4.15Å; F359-F364 PolarHBondContact O-N 3.18Å; F364-L380 HydrophobicContact CD1-CD2 3.56Å; F364-L380 HydrophobicContact CD1-CG 3.78Å; F364-L380 HydrophobicContact CE1-CD2 3.82Å; F364-L380 HydrophobicContact CE1-CG 4.23Å; F364-E386 HydrophobicContact CE1-CG 4.13Å; F364-E386 VanDerWaalsContact CE1-OE1 3.22Å; F364-E386 WeakPolarHBondContact CE1-OE1 3.38Å; F364-Q416 HydrophobicContact CB-CG 4.39Å; F364-Q416 HydrophobicContact CD1-CG 3.87Å; F364-Q416 HydrophobicContact CE1-CG 4.43Å; F364-Q416 HydrophobicContact CG-CG 4.02Å; F364-Y419 HydrophobicContact CB-CD1 4.34Å; F364-Y419 HydrophobicContact CD1-CD1 4.46Å; F364-Y419 AromaticContact CD1-CE1 3.9Å; F364-Y419 HydrophobicContact CD1-CE1 3.9Å
365G96.3Very high94.7Very high0 Ų030.5 Ų30.50%016%0.155CC..  trans-75.5146.8-178.400000114.1F360 T361 Y376 G377F360-G365 WeakPolarHBondContact O-CA 3.15Å; T361-G365 WeakPolarHBondContact O-CA 3.47Å; T361-G365 PolarHBondContact O-N 3.23Å; G365-Y376 WeakPolarHBondContact O-CD1 3.21Å; G365-Y376 PolarHBondContact O-N 2.69Å; G365-Y376 VanDerWaalsContact O-N 3.13Å; G365-G377 PolarHBondContact O-N 2.83Å
366L97.4Very high94.9Very high0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-118.5151175.3-57.9179.2000110.2L373 R374 A375 Y376 L380 A390 L391 V397 Y419 F420 V421 S422L366-L373 HydrophobicContact CB-CD1 3.76Å; L366-L373 HydrophobicContact CB-CG 4.24Å; L366-L373 HydrophobicContact CD1-CD1 4.13Å; L366-L373 HydrophobicContact CD1-CD2 3.68Å; L366-L373 HydrophobicContact CD1-CG 4.02Å; L366-R374 CarbonylContact C-O 3Å; L366-R374 WeakPolarHBondContact CA-O 3.29Å; L366-A375 HydrophobicContact CD2-CB 4.08Å; L366-Y376 VanDerWaalsContact C-CD1 3.5Å; L366-Y376 VanDerWaalsContact C-CE1 3.42Å; L366-Y376 VanDerWaalsContact O-CE1 3.22Å; L366-Y376 WeakPolarHBondContact O-CE1 3.48Å; L366-L380 HydrophobicContact CD2-CD1 3.38Å; L366-L380 HydrophobicContact CG-CD1 4.3Å; L366-A390 HydrophobicContact CD2-CB 4.47Å; L366-L391 HydrophobicContact CD2-CD2 3.86Å; L366-V397 HydrophobicContact CD1-CG1 4.37Å; L366-V397 HydrophobicContact CD1-CG2 4.17Å; L366-Y419 HydrophobicContact CD1-CG 4.15Å; L366-F420 PolarHBondContact N-O 2.89Å; L366-V421 HydrophobicContact CB-CB 4.37Å; L366-V421 HydrophobicContact CB-CG2 4.44Å; L366-V421 CarbonylContact O-C 3.45Å; L366-V421 VanDerWaalsContact O-CA 3.23Å; L366-V421 WeakPolarHBondContact O-CA 3.08Å; L366-S422 PolarHBondContact O-N 3.49Å
367C96.3Very high95Very high4 Ų430.1 Ų30.13%0.02715%0.153CC..EExtended strand (participates in β ladder)trans-127.6156.7172.167.20000111.6C236 R374 Y376 S422C236-C367 WeakPolarHBondContact CB-SG 3.31Å; C367-R374 PolarHBondContact N-O 2.98Å; C367-R374 PolarHBondContact O-N 3.16Å; C367-Y376 HydrophobicContact CB-CD1 3.92Å; C367-Y376 HydrophobicContact CB-CE1 4.3Å; C367-S422 VanDerWaalsContact CA-O 3.24Å; C367-S422 WeakPolarHBondContact CA-O 3.35Å
368K93.3Very high95Very high97 Ų9730.2 Ų30.242%0.42215%0.153SC..EExtended strand (participates in β ladder)trans-101122.1175.4-163174-177.7179.30109.8Q372 V421 S422K368-Q372 WeakPolarHBondContact CA-O 3.28Å; K368-V421 HydrophobicContact CB-CG2 4.26Å; K368-S422 PolarHBondContact N-O 3.12Å
369Q92.3Very high94.9Very high40 Ų4030.1 Ų30.119%0.18715%0.153CC..EExtended strand (participates in β ladder)trans-132.4120.5179.4-65.2-174.6-28.400108.7E238 G371 Q372 R374E238-Q369 PolarHBondContact OE2-NE2 3.29Å; Q369-G371 PolarHBondContact O-N 2.96Å; Q369-Q372 PolarHBondContact N-O 2.91Å; Q369-Q372 PolarHBondContact O-N 3.15Å; Q369-R374 HydrophobicContact CB-CG 4.31Å
370E89.1Confident94.9Very high191 Ų19130.1 Ų30.189%0.89315%0.153SC*.THydrogen-bonded Turntrans54.138179.9-59.3173-167.200112.6Q372E370-Q372 PolarHBondContact O-N 2.68Å
371G89Confident94.9Very high52 Ų5230.1 Ų30.154%0.53615%0.153SC..THydrogen-bonded Turntrans77.8-4.9-178.600000115.2Q369Q369-G371 PolarHBondContact O-N 2.96Å
372Q93.1Very high94.9Very high125 Ų12530.3 Ų30.358%0.58415%0.154SC*.EExtended strand (participates in β ladder)trans-100.8145.6178.7-59-60.3-47.400111.3K368 Q369 E370K368-Q372 WeakPolarHBondContact CA-O 3.28Å; Q369-Q372 PolarHBondContact N-O 2.91Å; Q369-Q372 PolarHBondContact O-N 3.15Å; E370-Q372 PolarHBondContact O-N 2.68Å
373L95.6Very high94.7Very high53 Ų5330.5 Ų30.528%0.27716%0.156SC..EExtended strand (participates in β ladder)trans-80.2133.5173.5-164.563.6000109.7L366 L391 V397 V421L366-L373 HydrophobicContact CB-CD1 3.76Å; L366-L373 HydrophobicContact CB-CG 4.24Å; L366-L373 HydrophobicContact CD1-CD1 4.13Å; L366-L373 HydrophobicContact CD1-CD2 3.68Å; L366-L373 HydrophobicContact CD1-CG 4.02Å; L373-L391 HydrophobicContact CB-CD2 4.1Å; L373-L391 HydrophobicContact CD2-CD2 3.9Å; L373-L391 HydrophobicContact CG-CD2 3.69Å; L373-V397 HydrophobicContact CD1-CG1 4.42Å; L373-V397 HydrophobicContact CD2-CG1 4.41Å; L373-V397 HydrophobicContact CD2-CG2 3.9Å; L373-V421 HydrophobicContact CD1-CB 4.17Å; L373-V421 HydrophobicContact CD1-CG2 3.63Å
374R97Very high94.5Very high59 Ų5931.6 Ų31.622%0.22316%0.161CC..EExtended strand (participates in β ladder)trans-132150.2178.3-63-61.8-176.8137.2-7.8110.2P232 T233 H234 A235 C236 L366 C367 Q369P232-R374 PolarHBondContact O-NH1 3.21Å; T233-R374 PolarHBondContact O-NH1 3.39Å; H234-R374 CarbonylContact O-C 3.58Å; H234-R374 WeakPolarHBondContact O-CA 3.32Å; A235-R374 PolarHBondContact O-NH1 2.72Å; C236-R374 HydrophobicContact CB-CB 4.12Å; L366-R374 CarbonylContact C-O 3Å; L366-R374 WeakPolarHBondContact CA-O 3.29Å; C367-R374 PolarHBondContact N-O 2.98Å; C367-R374 PolarHBondContact O-N 3.16Å; Q369-R374 HydrophobicContact CB-CG 4.31Å
375A97.6Very high94.3Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-90.3138.1176.900000111.3H234 C236 L366 L380 L381 L387H234-A375 PolarHBondContact O-N 3.49Å; C236-A375 PolarHBondContact N-O 3.15Å; L366-A375 HydrophobicContact CD2-CB 4.08Å; A375-L380 HydrophobicContact CB-CB 4.09Å; A375-L380 HydrophobicContact CB-CD1 4.03Å; A375-L381 HydrophobicContact CB-CD2 4.32Å; A375-L387 HydrophobicContact CB-CD1 3.45Å; A375-L387 VanDerWaalsContact CB-CD1 3.45Å
376Y97.5Very high94.1Very high1 Ų133.4 Ų33.40%0.00418%0.18CC..  trans-128-15.4166.678-101.9000111.7L326 F332 T361 G365 L366 C367 A378 L381 F425L326-Y376 HydrophobicContact CD1-CD2 4.13Å; L326-Y376 HydrophobicContact CD1-CG 4.37Å; L326-Y376 WeakPolarHBondContact CD1-O 3.2Å; F332-Y376 HydrophobicContact CD2-CD2 4.44Å; F332-Y376 AromaticContact CE2-CD2 3.64Å; F332-Y376 HydrophobicContact CE2-CD2 3.64Å; F332-Y376 AromaticContact CE2-CE2 3.87Å; F332-Y376 HydrophobicContact CE2-CE2 3.87Å; F332-Y376 HydrophobicContact CZ-CD2 4.47Å; T361-Y376 WeakPolarHBondContact CA-OH 3.31Å; T361-Y376 WeakPolarHBondContact CB-OH 3.48Å; T361-Y376 WeakPolarHBondContact O-CE2 3.49Å; G365-Y376 WeakPolarHBondContact O-CD1 3.21Å; G365-Y376 PolarHBondContact O-N 2.69Å; G365-Y376 VanDerWaalsContact O-N 3.13Å; L366-Y376 VanDerWaalsContact C-CD1 3.5Å; L366-Y376 VanDerWaalsContact C-CE1 3.42Å; L366-Y376 VanDerWaalsContact O-CE1 3.22Å; L366-Y376 WeakPolarHBondContact O-CE1 3.48Å; C367-Y376 HydrophobicContact CB-CD1 3.92Å; C367-Y376 HydrophobicContact CB-CE1 4.3Å; Y376-A378 PolarHBondContact O-N 3.11Å; Y376-L381 WeakPolarHBondContact O-CD1 3.38Å; Y376-F425 AromaticContact CD1-CE1 3.83Å; Y376-F425 HydrophobicContact CD1-CE1 3.83Å; Y376-F425 AromaticContact CD2-CE1 3.84Å; Y376-F425 HydrophobicContact CD2-CE1 3.84Å; Y376-F425 HydrophobicContact CD2-CZ 4.48Å; Y376-F425 HydrophobicContact CE1-CE1 4.18Å; Y376-F425 HydrophobicContact CE2-CE1 4.19Å; Y376-F425 AromaticContact CG-CE1 3.65Å; Y376-F425 HydrophobicContact CG-CE1 3.65Å; Y376-F425 HydrophobicContact CG-CZ 4.15Å
377G96.5Very high93.9Very high0 Ų033.4 Ų33.40%018%0.18CC..  trans-59.313117400000112.9I362 E363 G365 G379 L380 L381I362-G377 CarbonylContact O-C 3.54Å; I362-G377 WeakPolarHBondContact O-CA 3.45Å; E363-G377 VanDerWaalsContact C-CA 3.41Å; E363-G377 CarbonylContact O-C 3.17Å; E363-G377 WeakPolarHBondContact O-CA 3.4Å; G365-G377 PolarHBondContact O-N 2.83Å; G377-G379 PolarHBondContact O-N 2.98Å; G377-L380 WeakPolarHBondContact O-CB 3.41Å; G377-L380 PolarHBondContact O-N 2.96Å; G377-L381 WeakPolarHBondContact O-CG 3.12Å; G377-L381 PolarHBondContact O-N 2.95Å
378A96.2Very high93.8Very high1 Ų138.6 Ų38.61%0.00820%0.202CC..Hα-helixtrans-63.4-39.3-178.700000113.3H323 I362 E363 Y376 L380 L381 S382H323-A378 HydrophobicContact CB-CB 4.42Å; H323-A378 WeakPolarHBondContact CE1-CB 3.36Å; H323-A378 WeakPolarHBondContact ND1-CB 3.45Å; H323-A378 VanDerWaalsContact NE2-CB 3.33Å; H323-A378 WeakPolarHBondContact NE2-CB 3.36Å; I362-A378 PolarHBondContact O-N 3.2Å; E363-A378 PolarHBondContact O-N 3.12Å; E363-A378 VanDerWaalsContact O-N 3.1Å; Y376-A378 PolarHBondContact O-N 3.11Å; A378-L380 VanDerWaalsContact C-N 3.31Å; A378-L380 PolarHBondContact O-N 3.3Å; A378-L381 PolarHBondContact O-N 2.89Å; A378-S382 VanDerWaalsContact O-CB 3.31Å; A378-S382 WeakPolarHBondContact O-CB 3.27Å; A378-S382 PolarHBondContact O-N 3.16Å; A378-S382 PolarHBondContact O-OG 3.47Å
379G93.3Very high93.9Very high0 Ų036.2 Ų36.20%019%0.192CC..Hα-helixtrans-58.9-42.7172.200000112Q2 E363 G377 S382 S383Q2-G379 PolarHBondContact NE2-O 2.82Å; Q2-G379 VanDerWaalsContact OE1-CA 3.23Å; Q2-G379 PolarHBondContact OE1-O 3.06Å; E363-G379 WeakPolarHBondContact O-CA 3.25Å; E363-G379 PolarHBondContact O-N 3.07Å; G377-G379 PolarHBondContact O-N 2.98Å; G379-S382 PolarHBondContact O-N 3.33Å; G379-S382 PolarHBondContact O-OG 3.23Å; G379-S383 WeakPolarHBondContact O-CB 3.29Å; G379-S383 PolarHBondContact O-N 3.02Å
380L95Very high94Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-63.6-50.7173.4-61178000111.6F364 L366 A375 G377 A378 S382 S383 E386 L387 A390 Y419F364-L380 HydrophobicContact CD1-CD2 3.56Å; F364-L380 HydrophobicContact CD1-CG 3.78Å; F364-L380 HydrophobicContact CE1-CD2 3.82Å; F364-L380 HydrophobicContact CE1-CG 4.23Å; L366-L380 HydrophobicContact CD2-CD1 3.38Å; L366-L380 HydrophobicContact CG-CD1 4.3Å; A375-L380 HydrophobicContact CB-CB 4.09Å; A375-L380 HydrophobicContact CB-CD1 4.03Å; G377-L380 WeakPolarHBondContact O-CB 3.41Å; G377-L380 PolarHBondContact O-N 2.96Å; A378-L380 VanDerWaalsContact C-N 3.31Å; A378-L380 PolarHBondContact O-N 3.3Å; L380-S382 PolarHBondContact O-N 3.47Å; L380-S382 VanDerWaalsContact O-N 3.12Å; L380-S383 PolarHBondContact O-N 2.95Å; L380-S383 VanDerWaalsContact O-N 3.1Å; L380-E386 HydrophobicContact CD2-CB 4.26Å; L380-E386 HydrophobicContact CD2-CG 3.8Å; L380-L387 HydrophobicContact CB-CD1 4.14Å; L380-L387 WeakPolarHBondContact O-CB 3.3Å; L380-A390 HydrophobicContact CD1-CB 4.07Å; L380-A390 HydrophobicContact CD2-CB 3.6Å; L380-A390 HydrophobicContact CG-CB 4.49Å; L380-Y419 HydrophobicContact CD2-CD1 4.43Å; L380-Y419 HydrophobicContact CD2-CE1 3.85Å
381L96.2Very high94.3Very high0 Ų027.2 Ų27.20%015%0.152CC..Hα-helixtrans-68.1-12.2-176.1-68.4166000113.7Y231 A235 Y239 L326 A375 Y376 G377 A378Y231-L381 HydrophobicContact CD1-CD2 4.18Å; Y231-L381 HydrophobicContact CE1-CD2 4.2Å; Y231-L381 WeakPolarHBondContact CE1-O 3.27Å; Y231-L381 PolarHBondContact OH-O 3.1Å; A235-L381 HydrophobicContact CB-CD2 3.64Å; Y239-L381 HydrophobicContact CD2-CD1 3.46Å; Y239-L381 VanDerWaalsContact CD2-CD1 3.46Å; Y239-L381 HydrophobicContact CD2-CD2 4.2Å; Y239-L381 HydrophobicContact CD2-CG 4.36Å; Y239-L381 HydrophobicContact CE2-CB 4.27Å; Y239-L381 HydrophobicContact CE2-CD1 3.67Å; Y239-L381 HydrophobicContact CE2-CD2 4.2Å; Y239-L381 HydrophobicContact CE2-CG 4.27Å; Y239-L381 HydrophobicContact CG-CD1 4.4Å; L326-L381 HydrophobicContact CD1-CD1 4.45Å; A375-L381 HydrophobicContact CB-CD2 4.32Å; Y376-L381 WeakPolarHBondContact O-CD1 3.38Å; G377-L381 WeakPolarHBondContact O-CG 3.12Å; G377-L381 PolarHBondContact O-N 2.95Å; A378-L381 PolarHBondContact O-N 2.89Å
382S94.6Very high94.6Very high4 Ų426.5 Ų26.53%0.02814%0.138CC..THydrogen-bonded Turntrans-109.21.7175.860.40000114Q2 H318 A378 G379 L380Q2-S382 PolarHBondContact NE2-O 3.42Å; Q2-S382 PolarHBondContact NE2-OG 2.96Å; H318-S382 PolarHBondContact ND1-OG 2.87Å; A378-S382 VanDerWaalsContact O-CB 3.31Å; A378-S382 WeakPolarHBondContact O-CB 3.27Å; A378-S382 PolarHBondContact O-N 3.16Å; A378-S382 PolarHBondContact O-OG 3.47Å; G379-S382 PolarHBondContact O-N 3.33Å; G379-S382 PolarHBondContact O-OG 3.23Å; L380-S382 PolarHBondContact O-N 3.47Å; L380-S382 VanDerWaalsContact O-N 3.12Å
383S92Very high94.6Very high7 Ų728 Ų285%0.04915%0.15CC..  trans-125.7102.6-175.2-178.90000111.2G379 L380 G385 E386 L387G379-S383 WeakPolarHBondContact O-CB 3.29Å; G379-S383 PolarHBondContact O-N 3.02Å; L380-S383 PolarHBondContact O-N 2.95Å; L380-S383 VanDerWaalsContact O-N 3.1Å; S383-G385 VanDerWaalsContact C-N 3.3Å; S383-G385 PolarHBondContact O-N 2.89Å; S383-E386 PolarHBondContact O-N 2.76Å; S383-E386 WeakPolarHBondContact OG-CB 3.33Å; S383-E386 PolarHBondContact OG-N 2.97Å; S383-L387 WeakPolarHBondContact O-CB 3.36Å; S383-L387 PolarHBondContact O-N 2.77Å
384I91Very high94.6Very high28 Ų2833.5 Ų33.514%0.14417%0.172CC..Hα-helixtrans-55.3-46.3-179.3-62.2161.4000111.7E226 L227 L230 L309 K388E226-I384 HydrophobicContact CB-CD1 3.41Å; E226-I384 VanDerWaalsContact CB-CD1 3.41Å; E226-I384 HydrophobicContact CB-CG1 4.19Å; E226-I384 HydrophobicContact CG-CD1 4.19Å; L227-I384 HydrophobicContact CD2-CG1 3.62Å; L227-I384 HydrophobicContact CG-CG1 4.04Å; L230-I384 HydrophobicContact CD1-CB 4.5Å; L230-I384 HydrophobicContact CD1-CG2 3.99Å; L309-I384 HydrophobicContact CB-CD1 4.43Å; L309-I384 HydrophobicContact CD1-CD1 4.03Å; L309-I384 HydrophobicContact CD2-CD1 3.53Å; L309-I384 HydrophobicContact CG-CD1 4.19Å; I384-K388 WeakPolarHBondContact O-CG 2.92Å; I384-K388 PolarHBondContact O-N 3.17Å
385G90.2Very high94.5Very high38 Ų3831.4 Ų31.439%0.39217%0.168SC..Hα-helixtrans-68.1-43.1-176.700000112.3S383 H389S383-G385 VanDerWaalsContact C-N 3.3Å; S383-G385 PolarHBondContact O-N 2.89Å; G385-H389 PolarHBondContact O-N 3.28Å; G385-H389 VanDerWaalsContact O-N 3.13Å
386E92.8Very high94.4Very high1 Ų134.3 Ų34.31%0.00519%0.187CC..Hα-helixtrans-79.3-32.9-175.9-156.5158.8177.100112.3F364 L380 S383 K388 H389 A390 F415 Q416 Y419F364-E386 HydrophobicContact CE1-CG 4.13Å; F364-E386 VanDerWaalsContact CE1-OE1 3.22Å; F364-E386 WeakPolarHBondContact CE1-OE1 3.38Å; L380-E386 HydrophobicContact CD2-CB 4.26Å; L380-E386 HydrophobicContact CD2-CG 3.8Å; S383-E386 PolarHBondContact O-N 2.76Å; S383-E386 WeakPolarHBondContact OG-CB 3.33Å; S383-E386 PolarHBondContact OG-N 2.97Å; E386-K388 VanDerWaalsContact C-N 3.3Å; E386-K388 PolarHBondContact O-N 3.37Å; E386-H389 PolarHBondContact O-N 3.49Å; E386-H389 VanDerWaalsContact O-N 3.15Å; E386-A390 VanDerWaalsContact O-CB 3.29Å; E386-A390 WeakPolarHBondContact O-CB 3.28Å; E386-A390 PolarHBondContact O-N 3.3Å; E386-F415 HydrophobicContact CB-CD1 3.79Å; E386-F415 HydrophobicContact CB-CE1 3.65Å; E386-F415 HydrophobicContact CB-CZ 4.33Å; E386-F415 VanDerWaalsContact CD-CD1 3.42Å; E386-F415 HydrophobicContact CG-CB 4.35Å; E386-F415 HydrophobicContact CG-CD1 3.52Å; E386-F415 HydrophobicContact CG-CE1 3.94Å; E386-F415 HydrophobicContact CG-CG 4Å; E386-F415 WeakPolarHBondContact OE1-CA 3.22Å; E386-F415 WeakPolarHBondContact OE2-CD1 3.46Å; E386-Q416 PolarHBondContact OE1-N 2.69Å; E386-Y419 WeakPolarHBondContact CG-OH 3.3Å; E386-Y419 PolarHBondContact OE1-OH 3.22Å; E386-Y419 VanDerWaalsContact OE1-OH 3.05Å
387L94.2Very high94.4Very high0 Ų036.9 Ų36.90%020%0.203CC..Hα-helixtrans-56.9-45.1171.9-171.354.4000111.8L230 H234 A375 L380 S383L230-L387 HydrophobicContact CB-CD2 3.91Å; L230-L387 HydrophobicContact CD1-CD2 4.04Å; H234-L387 HydrophobicContact CB-CD1 3.82Å; H234-L387 HydrophobicContact CB-CD2 3.87Å; H234-L387 HydrophobicContact CB-CG 3.78Å; A375-L387 HydrophobicContact CB-CD1 3.45Å; A375-L387 VanDerWaalsContact CB-CD1 3.45Å; L380-L387 HydrophobicContact CB-CD1 4.14Å; L380-L387 WeakPolarHBondContact O-CB 3.3Å; S383-L387 WeakPolarHBondContact O-CB 3.36Å; S383-L387 PolarHBondContact O-N 2.77Å
388K94.1Very high94.4Very high114 Ų11441.5 Ų41.550%0.49622%0.223SC..Hα-helixtrans-67.1-39.2176.3-72.5178.4179.5178.60111.8L230 I384 E386 S392L230-K388 HydrophobicContact CD1-CG 4.3Å; I384-K388 WeakPolarHBondContact O-CG 2.92Å; I384-K388 PolarHBondContact O-N 3.17Å; E386-K388 VanDerWaalsContact C-N 3.3Å; E386-K388 PolarHBondContact O-N 3.37Å; K388-S392 PolarHBondContact O-N 2.88Å
389H94.8Very high94.4Very high46 Ų4644.9 Ų44.921%0.21325%0.251CS..Hα-helixtrans-68.3-50.1-179.8179.361.6000112G385 E386 L391 S392 A395 F415G385-H389 PolarHBondContact O-N 3.28Å; G385-H389 VanDerWaalsContact O-N 3.13Å; E386-H389 PolarHBondContact O-N 3.49Å; E386-H389 VanDerWaalsContact O-N 3.15Å; H389-L391 PolarHBondContact O-N 3.45Å; H389-S392 WeakPolarHBondContact O-CB 3.17Å; H389-S392 PolarHBondContact O-N 3.44Å; H389-S392 PolarHBondContact O-OG 2.67Å; H389-A395 WeakPolarHBondContact O-CB 3.37Å; H389-F415 HydrophobicContact CB-CD2 3.82Å; H389-F415 HydrophobicContact CB-CE2 3.82Å; H389-F415 AromaticContact CD2-CD2 3.55Å; H389-F415 AromaticContact CG-CD2 3.6Å
390A94.8Very high94.6Very high0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-61.5-25.7-175.700000113.7L366 L380 E386 Y419L366-A390 HydrophobicContact CD2-CB 4.47Å; L380-A390 HydrophobicContact CD1-CB 4.07Å; L380-A390 HydrophobicContact CD2-CB 3.6Å; L380-A390 HydrophobicContact CG-CB 4.49Å; E386-A390 VanDerWaalsContact O-CB 3.29Å; E386-A390 WeakPolarHBondContact O-CB 3.28Å; E386-A390 PolarHBondContact O-N 3.3Å; A390-Y419 HydrophobicContact CB-CD1 4.04Å; A390-Y419 HydrophobicContact CB-CD2 4.12Å; A390-Y419 HydrophobicContact CB-CE1 3.78Å; A390-Y419 HydrophobicContact CB-CE2 3.85Å; A390-Y419 HydrophobicContact CB-CG 4.21Å
391L95.3Very high94.6Very high43 Ų4348 Ų4823%0.22527%0.267CS..THydrogen-bonded Turntrans-100.16.4175.8-57.3-172.1000113.7H234 L366 L373 H389H234-L391 HydrophobicContact CB-CD1 3.62Å; L366-L391 HydrophobicContact CD2-CD2 3.86Å; L373-L391 HydrophobicContact CB-CD2 4.1Å; L373-L391 HydrophobicContact CD2-CD2 3.9Å; L373-L391 HydrophobicContact CG-CD2 3.69Å; H389-L391 PolarHBondContact O-N 3.45Å
392S95.2Very high94.6Very high37 Ų3748 Ų4826%0.25927%0.268SS..SBendtrans-88.4164.8175.2740000112.2K388 H389 K394 A395K388-S392 PolarHBondContact O-N 2.88Å; H389-S392 WeakPolarHBondContact O-CB 3.17Å; H389-S392 PolarHBondContact O-N 3.44Å; H389-S392 PolarHBondContact O-OG 2.67Å; S392-K394 PolarHBondContact O-N 3.41Å; S392-K394 PolarHBondContact OG-N 2.94Å; S392-A395 PolarHBondContact O-N 3.43Å
393D93.5Very high94.6Very high155 Ų15554.7 Ų54.783%0.82930%0.296SS*.THydrogen-bonded Turntrans-62.9-13.8171.861.5-26.6000114.1
394K94.4Very high94.7Very high169 Ų16958.2 Ų58.274%0.73532%0.317SS*.THydrogen-bonded Turntrans-84-16.2178.8-59.6-179.7-177177.60113.7S392S392-K394 PolarHBondContact O-N 3.41Å; S392-K394 PolarHBondContact OG-N 2.94Å
395A94.6Very high94.9Very high16 Ų1656.9 Ų56.913%0.13231%0.311CS..SBendtrans-80.9137.9-178.500000111.3H389 S392 V397 Y419H389-A395 WeakPolarHBondContact O-CB 3.37Å; S392-A395 PolarHBondContact O-N 3.43Å; A395-V397 HydrophobicContact CB-CG2 4.43Å; A395-Y419 HydrophobicContact CB-CD2 3.92Å; A395-Y419 HydrophobicContact CB-CE2 3.96Å
396C96.6Very high95.1Very high60 Ų6055.8 Ų55.841%0.40530%0.297SS..  trans-83.4116.7170-175.80000109E417 A418 Y419C396-E417 VanDerWaalsContact CB-O 3.27Å; C396-E417 WeakPolarHBondContact CB-O 3.19Å; C396-A418 HydrophobicContact CB-CB 4.4Å; C396-A418 CarbonylContact O-C 3.57Å; C396-A418 VanDerWaalsContact O-CA 3.28Å; C396-A418 WeakPolarHBondContact O-CA 2.96Å; C396-Y419 PolarHBondContact O-N 3.17Å
397V96.7Very high95.2Very high56 Ų5662.4 Ų62.434%0.33933%0.331SS..EExtended strand (participates in β ladder)trans-115.8124.6-178.6-175.70000109.5L366 L373 A395 Y419 V421L366-V397 HydrophobicContact CD1-CG1 4.37Å; L366-V397 HydrophobicContact CD1-CG2 4.17Å; L373-V397 HydrophobicContact CD1-CG1 4.42Å; L373-V397 HydrophobicContact CD2-CG1 4.41Å; L373-V397 HydrophobicContact CD2-CG2 3.9Å; A395-V397 HydrophobicContact CB-CG2 4.43Å; V397-Y419 WeakPolarHBondContact CA-O 3.5Å; V397-V421 HydrophobicContact CG1-CB 3.86Å; V397-V421 HydrophobicContact CG1-CG1 3.86Å
398K96.8Very high95.1Very high96 Ų9664.1 Ų64.142%0.41734%0.339SS..EExtended strand (participates in β ladder)trans-118.1155179.9-61.7176.8-174.4170.90110.2A418 Y419 F420 V421K398-A418 HydrophobicContact CD-CB 4.29Å; K398-Y419 PolarHBondContact N-O 2.8Å; K398-F420 HydrophobicContact CB-CD1 4.05Å; K398-F420 HydrophobicContact CB-CE1 4.06Å; K398-F420 HydrophobicContact CD-CE1 4.31Å; K398-F420 CarbonylContact O-C 3.56Å; K398-F420 VanDerWaalsContact O-CA 3.26Å; K398-F420 WeakPolarHBondContact O-CA 3.41Å; K398-V421 PolarHBondContact O-N 3.36Å
399A96.7Very high95Very high73 Ų7362.3 Ų62.360%0.60333%0.333SS*.EExtended strand (participates in β ladder)trans-66.4137.317200000110.3D401A399-D401 PolarHBondContact O-N 3.13Å
400F96.5Very high94.7Very high1 Ų160.4 Ų60.40%0.00432%0.324CS..  trans-68.9121.6175.4177.5-118.5000110.8T361 P402 T405 F420 V421 S422 A428 K431 M432T361-F400 HydrophobicContact CG2-CD1 4.23Å; T361-F400 HydrophobicContact CG2-CD2 3.7Å; T361-F400 HydrophobicContact CG2-CE1 3.84Å; T361-F400 HydrophobicContact CG2-CE2 3.26Å; T361-F400 HydrophobicContact CG2-CG 4.17Å; T361-F400 HydrophobicContact CG2-CZ 3.33Å; F400-P402 HydrophobicContact CE1-CG 3.9Å; F400-P402 HydrophobicContact CE2-CG 4.32Å; F400-P402 HydrophobicContact CZ-CB 4.49Å; F400-P402 HydrophobicContact CZ-CG 3.63Å; F400-T405 HydrophobicContact CD2-CG2 4.08Å; F400-T405 HydrophobicContact CE2-CG2 3.96Å; F400-F420 HydrophobicContact CB-CB 4.08Å; F400-F420 HydrophobicContact CD2-CB 4.21Å; F400-V421 WeakPolarHBondContact CB-O 3.49Å; F400-V421 PolarHBondContact N-O 3.45Å; F400-S422 WeakPolarHBondContact CB-OG 3.04Å; F400-S422 WeakPolarHBondContact CD1-OG 3.28Å; F400-A428 HydrophobicContact CD1-CB 4.24Å; F400-A428 HydrophobicContact CE1-CB 4.18Å; F400-K431 HydrophobicContact CD1-CD 4.33Å; F400-K431 HydrophobicContact CE1-CB 4.44Å; F400-K431 WeakPolarHBondContact O-CD 3.45Å; F400-K431 PolarHBondContact O-NZ 3.13Å; F400-M432 HydrophobicContact CE1-CG 4.36Å; F400-M432 HydrophobicContact CZ-CG 4.2Å; F400-M432 HydrophobicContact CZ-SD 3.91Å
401D96.3Very high94.3Very high63 Ų6361.7 Ų61.734%0.33733%0.331SS..  trans-142.9110.2168.4174.31.4000107.7A399 K403 T404 T405A399-D401 PolarHBondContact O-N 3.13Å; D401-K403 PolarHBondContact O-N 3.48Å; D401-K403 PolarHBondContact OD1-N 3.43Å; D401-K403 VanDerWaalsContact OD1-N 3.13Å; D401-T404 PolarHBondContact O-N 3.05Å; D401-T404 PolarHBondContact O-OG1 3.26Å; D401-T404 VanDerWaalsContact O-OG1 3.11Å; D401-T405 PolarHBondContact N-OG1 3.15Å; D401-T405 WeakPolarHBondContact O-CB 3.13Å; D401-T405 PolarHBondContact O-N 3.35Å; D401-T405 PolarHBondContact O-OG1 2.76Å; D401-T405 VanDerWaalsContact O-OG1 3.08Å
402P95.2Very high93.3Very high2 Ų260.7 Ų60.71%0.01333%0.326CS..Hα-helixtrans-48.4-35.7-177-29.534.4000114.6F400 T404 C406 K431 M432 F435F400-P402 HydrophobicContact CE1-CG 3.9Å; F400-P402 HydrophobicContact CE2-CG 4.32Å; F400-P402 HydrophobicContact CZ-CB 4.49Å; F400-P402 HydrophobicContact CZ-CG 3.63Å; P402-T404 VanDerWaalsContact C-N 3.25Å; P402-T404 PolarHBondContact O-N 3.19Å; P402-C406 VanDerWaalsContact O-CB 3.26Å; P402-C406 WeakPolarHBondContact O-CB 3.45Å; P402-C406 PolarHBondContact O-N 3.01Å; P402-C406 PolarHBondContact O-SG 2.93Å; P402-K431 HydrophobicContact CG-CB 3.98Å; P402-M432 HydrophobicContact CB-SD 3.83Å; P402-M432 HydrophobicContact CG-CG 4.35Å; P402-M432 HydrophobicContact CG-SD 3.52Å; P402-M432 VanDerWaalsContact CG-SD 3.52Å; P402-F435 HydrophobicContact CB-CB 3.59Å; P402-F435 HydrophobicContact CB-CD1 4.02Å; P402-F435 HydrophobicContact CB-CD2 3.65Å; P402-F435 HydrophobicContact CB-CE2 4.33Å; P402-F435 HydrophobicContact CB-CG 3.47Å; P402-F435 VanDerWaalsContact CB-CG 3.47Å; P402-F435 HydrophobicContact CG-CB 4.06Å; P402-F435 HydrophobicContact CG-CG 4.44Å
403K94.4Very high92.4Very high143 Ų14362.4 Ų62.462%0.62234%0.335SS*.Hα-helixtrans-63.8-30.6-179.4-65.9178.9-179.3175.60113D401 F435D401-K403 PolarHBondContact O-N 3.48Å; D401-K403 PolarHBondContact OD1-N 3.43Å; D401-K403 VanDerWaalsContact OD1-N 3.13Å; K403-F435 HydrophobicContact CG-CD2 4.22Å
404T95Very high91.9Very high81 Ų8158.4 Ų58.450%0.49732%0.316SS..Hα-helixtrans-100.7-37.917865.20000111.7D401 P402 C406 L407D401-T404 PolarHBondContact O-N 3.05Å; D401-T404 PolarHBondContact O-OG1 3.26Å; D401-T404 VanDerWaalsContact O-OG1 3.11Å; P402-T404 VanDerWaalsContact C-N 3.25Å; P402-T404 PolarHBondContact O-N 3.19Å; T404-C406 VanDerWaalsContact C-N 3.33Å; T404-C406 PolarHBondContact O-N 3.3Å; T404-L407 PolarHBondContact O-N 2.89Å
405T95.6Very high91.7Very high0 Ų053.9 Ų53.90%030%0.297CS..Hα-helixtrans-63-37.3-179.9-59.60000111.7T356 F360 F400 D401 L407 Q408 F420T356-T405 VanDerWaalsContact CG2-O 3.29Å; T356-T405 WeakPolarHBondContact CG2-O 3.39Å; F360-T405 HydrophobicContact CB-CG2 3.39Å; F360-T405 HydrophobicContact CD2-CG2 3.9Å; F360-T405 HydrophobicContact CG-CG2 3.9Å; F400-T405 HydrophobicContact CD2-CG2 4.08Å; F400-T405 HydrophobicContact CE2-CG2 3.96Å; D401-T405 PolarHBondContact N-OG1 3.15Å; D401-T405 WeakPolarHBondContact O-CB 3.13Å; D401-T405 PolarHBondContact O-N 3.35Å; D401-T405 PolarHBondContact O-OG1 2.76Å; D401-T405 VanDerWaalsContact O-OG1 3.08Å; T405-L407 PolarHBondContact O-N 3.39Å; T405-Q408 WeakPolarHBondContact O-CB 3.42Å; T405-Q408 PolarHBondContact O-N 3.39Å; T405-F420 HydrophobicContact CG2-CD1 4.19Å; T405-F420 HydrophobicContact CG2-CD2 3.98Å; T405-F420 HydrophobicContact CG2-CE1 4.16Å; T405-F420 HydrophobicContact CG2-CE2 3.95Å; T405-F420 HydrophobicContact CG2-CG 4.09Å; T405-F420 HydrophobicContact CG2-CZ 4.03Å; T405-F420 WeakPolarHBondContact OG1-CD1 3.43Å; T405-F420 WeakPolarHBondContact OG1-CE1 3.27Å
406C94Very high91.5Very high15 Ų1553.4 Ų53.410%0.10129%0.292CS..THydrogen-bonded Turntrans-61.2-16.2179700000114.9K353 T356 P402 T404 F435K353-C406 HydrophobicContact CB-CB 3.84Å; K353-C406 HydrophobicContact CG-CB 4.16Å; T356-C406 WeakPolarHBondContact CG2-O 3.48Å; P402-C406 VanDerWaalsContact O-CB 3.26Å; P402-C406 WeakPolarHBondContact O-CB 3.45Å; P402-C406 PolarHBondContact O-N 3.01Å; P402-C406 PolarHBondContact O-SG 2.93Å; T404-C406 VanDerWaalsContact C-N 3.33Å; T404-C406 PolarHBondContact O-N 3.3Å; C406-F435 HydrophobicContact CB-CZ 4.2Å
407L93.5Very high91.3Very high140 Ų14056.8 Ų56.873%0.73330%0.302SS*.THydrogen-bonded Turntrans-94.3-9178.8-55.7177.1000113T404 T405T404-L407 PolarHBondContact O-N 2.89Å; T405-L407 PolarHBondContact O-N 3.39Å
408Q93.7Very high91.3Very high36 Ų3654.2 Ų54.217%0.16829%0.286CS..SBendtrans-71.7136.6-178.8179.365.653.500110.6T356 F360 T405 C410 F420T356-Q408 WeakPolarHBondContact CG2-O 3.49Å; F360-Q408 HydrophobicContact CD2-CB 4.13Å; F360-Q408 HydrophobicContact CD2-CG 4.23Å; F360-Q408 HydrophobicContact CE1-CG 3.94Å; F360-Q408 HydrophobicContact CE2-CB 3.58Å; F360-Q408 HydrophobicContact CE2-CG 3.42Å; F360-Q408 VanDerWaalsContact CE2-CG 3.42Å; F360-Q408 HydrophobicContact CZ-CB 3.99Å; F360-Q408 HydrophobicContact CZ-CG 3.25Å; T405-Q408 WeakPolarHBondContact O-CB 3.42Å; T405-Q408 PolarHBondContact O-N 3.39Å; Q408-C410 PolarHBondContact O-N 2.86Å; Q408-F420 HydrophobicContact CB-CE2 4.22Å; Q408-F420 HydrophobicContact CB-CZ 4.08Å; Q408-F420 HydrophobicContact CG-CE2 3.98Å; Q408-F420 HydrophobicContact CG-CZ 4.15Å
409E91.3Very high91.3Very high77 Ų7749.7 Ų49.736%0.3627%0.267SS..  trans-71.1126.3174.6-177.8169.6-174.500111K11 L411K11-E409 WeakPolarHBondContact CD-OE1 3.42Å; K11-E409 WeakPolarHBondContact CE-OE1 3.39Å; K11-E409 IonicContact NZ-OE1 3.05Å; K11-E409 PolarHBondContact NZ-OE1 3.31Å; K11-E409 IonicContact NZ-OE2 3.79Å; K11-E409 PolarHBondContact NZ-OE2 3.25Å; E409-L411 HydrophobicContact CG-CD2 4.18Å
410C88.2Confident91.3Very high5 Ų546.5 Ų46.53%0.03424%0.239CC..  trans-79.2112.1173.6-65.50000110.6F8 F359 Q408F8-C410 HydrophobicContact CB-CB 4.18Å; F8-C410 PolarHBondContact O-SG 3.09Å; F359-C410 HydrophobicContact CD1-CB 4.4Å; F359-C410 HydrophobicContact CD2-CB 3.81Å; F359-C410 HydrophobicContact CE1-CB 4.13Å; F359-C410 HydrophobicContact CE2-CB 3.36Å; F359-C410 HydrophobicContact CG-CB 4.28Å; F359-C410 HydrophobicContact CZ-CB 3.59Å; Q408-C410 PolarHBondContact O-N 2.86Å
411L86.2Confident91.3Very high27 Ų2747.7 Ų47.714%0.14125%0.246CC..  trans-90.3125.5176-60.2-176.1000110.3E409 Q416 E417E409-L411 HydrophobicContact CG-CD2 4.18Å; L411-Q416 VanDerWaalsContact N-OE1 3.11Å; L411-Q416 PolarHBondContact O-NE2 3.1Å; L411-Q416 PolarHBondContact O-OE1 3.12Å; L411-E417 HydrophobicContact CD1-CB 4.38Å; L411-E417 HydrophobicContact CD1-CG 3.74Å
412I75Confident91.2Very high22 Ų2244.7 Ų44.711%0.11323%0.231CC..SBendtrans-104.6-26.3-171.156.3162000113.3Q2 P3 M5 M6 Y12Q2-I412 CarbonylContact C-O 3.58Å; P3-I412 WeakPolarHBondContact CA-O 3.43Å; P3-I412 VanDerWaalsContact CD-O 3.26Å; P3-I412 WeakPolarHBondContact CD-O 3.36Å; M5-I412 HydrophobicContact CB-CG2 4.04Å; M5-I412 WeakPolarHBondContact O-CG2 3.46Å; M6-I412 HydrophobicContact CE-CD1 4.23Å; M6-I412 HydrophobicContact CG-CD1 3.76Å; M6-I412 HydrophobicContact SD-CD1 4.22Å; Y12-I412 HydrophobicContact CD2-CD1 4.34Å
413T75.4Confident91Very high73 Ų7350 Ų5045%0.44826%0.255SS..SBendtrans-108.3-6.2-175.949.80000113.2M1 P3M1-T413 WeakPolarHBondContact CG-O 3.26Å; P3-T413 HydrophobicContact CG-CG2 4.44Å
414T83.7Confident90.7Very high72 Ų7245.7 Ų45.744%0.44224%0.243SC..SBendtrans-132171.2-179.459.70000110
415F89.8Confident90.4Very high73 Ų7342.3 Ų42.332%0.3222%0.221SC..  trans-63.2152168.4-61.2-19.7000110.5E386 H389E386-F415 HydrophobicContact CB-CD1 3.79Å; E386-F415 HydrophobicContact CB-CE1 3.65Å; E386-F415 HydrophobicContact CB-CZ 4.33Å; E386-F415 VanDerWaalsContact CD-CD1 3.42Å; E386-F415 HydrophobicContact CG-CB 4.35Å; E386-F415 HydrophobicContact CG-CD1 3.52Å; E386-F415 HydrophobicContact CG-CE1 3.94Å; E386-F415 HydrophobicContact CG-CG 4Å; E386-F415 WeakPolarHBondContact OE1-CA 3.22Å; E386-F415 WeakPolarHBondContact OE2-CD1 3.46Å; H389-F415 HydrophobicContact CB-CD2 3.82Å; H389-F415 HydrophobicContact CB-CE2 3.82Å; H389-F415 AromaticContact CD2-CD2 3.55Å; H389-F415 AromaticContact CG-CD2 3.6Å
416Q91.5Very high90.1Very high6 Ų645.3 Ų45.33%0.02824%0.235CC..  trans-65.2142.1179.3-52.2-45.8-54.500111.5F359 F360 F364 E386 L411 A418 Y419F359-Q416 HydrophobicContact CE1-CG 4.25Å; F359-Q416 VanDerWaalsContact CE1-OE1 3.24Å; F359-Q416 VanDerWaalsContact CZ-OE1 3.28Å; F360-Q416 HydrophobicContact CE1-CG 4.49Å; F364-Q416 HydrophobicContact CB-CG 4.39Å; F364-Q416 HydrophobicContact CD1-CG 3.87Å; F364-Q416 HydrophobicContact CE1-CG 4.43Å; F364-Q416 HydrophobicContact CG-CG 4.02Å; E386-Q416 PolarHBondContact OE1-N 2.69Å; L411-Q416 VanDerWaalsContact N-OE1 3.11Å; L411-Q416 PolarHBondContact O-NE2 3.1Å; L411-Q416 PolarHBondContact O-OE1 3.12Å; Q416-A418 VanDerWaalsContact C-N 3.27Å; Q416-A418 PolarHBondContact O-N 3.17Å; Q416-Y419 HydrophobicContact CB-CD1 4.25Å; Q416-Y419 HydrophobicContact CB-CE1 3.72Å; Q416-Y419 HydrophobicContact CB-CE2 4.38Å; Q416-Y419 HydrophobicContact CG-CD1 4.38Å; Q416-Y419 HydrophobicContact CG-CE1 3.77Å; Q416-Y419 PolarHBondContact N-OH 2.95Å
417E92.4Very high90Very high132 Ų13246.8 Ų46.862%0.61724%0.241SC*.SBendtrans-68.9-28.9172.6-82.7174.2-171.300112.6C396 L411C396-E417 VanDerWaalsContact CB-O 3.27Å; C396-E417 WeakPolarHBondContact CB-O 3.19Å; L411-E417 HydrophobicContact CD1-CB 4.38Å; L411-E417 HydrophobicContact CD1-CG 3.74Å
418A95.1Very high89.9Confident2 Ų240.1 Ų40.12%0.01721%0.206CC..  trans-146.1143.9176.900000111F360 C396 K398 Q416F360-A418 WeakPolarHBondContact CE1-O 3.15Å; C396-A418 HydrophobicContact CB-CB 4.4Å; C396-A418 CarbonylContact O-C 3.57Å; C396-A418 VanDerWaalsContact O-CA 3.28Å; C396-A418 WeakPolarHBondContact O-CA 2.96Å; K398-A418 HydrophobicContact CD-CB 4.29Å; Q416-A418 VanDerWaalsContact C-N 3.27Å; Q416-A418 PolarHBondContact O-N 3.17Å
419Y96.8Very high89.7Confident0 Ų038.8 Ų38.80%020%0.199CC..EExtended strand (participates in β ladder)trans-111.2153.8171.1-57.5-84000109.4F364 L366 L380 E386 A390 A395 C396 V397 K398 Q416F364-Y419 HydrophobicContact CB-CD1 4.34Å; F364-Y419 HydrophobicContact CD1-CD1 4.46Å; F364-Y419 AromaticContact CD1-CE1 3.9Å; F364-Y419 HydrophobicContact CD1-CE1 3.9Å; L366-Y419 HydrophobicContact CD1-CG 4.15Å; L380-Y419 HydrophobicContact CD2-CD1 4.43Å; L380-Y419 HydrophobicContact CD2-CE1 3.85Å; E386-Y419 WeakPolarHBondContact CG-OH 3.3Å; E386-Y419 PolarHBondContact OE1-OH 3.22Å; E386-Y419 VanDerWaalsContact OE1-OH 3.05Å; A390-Y419 HydrophobicContact CB-CD1 4.04Å; A390-Y419 HydrophobicContact CB-CD2 4.12Å; A390-Y419 HydrophobicContact CB-CE1 3.78Å; A390-Y419 HydrophobicContact CB-CE2 3.85Å; A390-Y419 HydrophobicContact CB-CG 4.21Å; A395-Y419 HydrophobicContact CB-CD2 3.92Å; A395-Y419 HydrophobicContact CB-CE2 3.96Å; C396-Y419 PolarHBondContact O-N 3.17Å; V397-Y419 WeakPolarHBondContact CA-O 3.5Å; K398-Y419 PolarHBondContact N-O 2.8Å; Q416-Y419 HydrophobicContact CB-CD1 4.25Å; Q416-Y419 HydrophobicContact CB-CE1 3.72Å; Q416-Y419 HydrophobicContact CB-CE2 4.38Å; Q416-Y419 HydrophobicContact CG-CD1 4.38Å; Q416-Y419 HydrophobicContact CG-CE1 3.77Å; Q416-Y419 PolarHBondContact N-OH 2.95Å
420F97.4Very high89.8Confident6 Ų640.1 Ų40.13%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-115.1130.7-178.7-65.5-96.7000110.9F360 L366 K398 F400 T405 Q408F360-F420 HydrophobicContact CB-CD2 3.61Å; F360-F420 HydrophobicContact CB-CE2 4.09Å; F360-F420 HydrophobicContact CB-CG 4.36Å; F360-F420 AromaticContact CD1-CD2 3.49Å; F360-F420 HydrophobicContact CD1-CD2 3.49Å; F360-F420 VanDerWaalsContact CD1-CD2 3.49Å; F360-F420 AromaticContact CD1-CE2 3.55Å; F360-F420 HydrophobicContact CD1-CE2 3.55Å; F360-F420 HydrophobicContact CD2-CE2 4.18Å; F360-F420 HydrophobicContact CE1-CD2 4.34Å; F360-F420 HydrophobicContact CE1-CE2 4.02Å; F360-F420 AromaticContact CG-CD2 3.61Å; F360-F420 HydrophobicContact CG-CD2 3.61Å; F360-F420 AromaticContact CG-CE2 3.65Å; F360-F420 HydrophobicContact CG-CE2 3.65Å; L366-F420 PolarHBondContact N-O 2.89Å; K398-F420 HydrophobicContact CB-CD1 4.05Å; K398-F420 HydrophobicContact CB-CE1 4.06Å; K398-F420 HydrophobicContact CD-CE1 4.31Å; K398-F420 CarbonylContact O-C 3.56Å; K398-F420 VanDerWaalsContact O-CA 3.26Å; K398-F420 WeakPolarHBondContact O-CA 3.41Å; F400-F420 HydrophobicContact CB-CB 4.08Å; F400-F420 HydrophobicContact CD2-CB 4.21Å; T405-F420 HydrophobicContact CG2-CD1 4.19Å; T405-F420 HydrophobicContact CG2-CD2 3.98Å; T405-F420 HydrophobicContact CG2-CE1 4.16Å; T405-F420 HydrophobicContact CG2-CE2 3.95Å; T405-F420 HydrophobicContact CG2-CG 4.09Å; T405-F420 HydrophobicContact CG2-CZ 4.03Å; T405-F420 WeakPolarHBondContact OG1-CD1 3.43Å; T405-F420 WeakPolarHBondContact OG1-CE1 3.27Å; Q408-F420 HydrophobicContact CB-CE2 4.22Å; Q408-F420 HydrophobicContact CB-CZ 4.08Å; Q408-F420 HydrophobicContact CG-CE2 3.98Å; Q408-F420 HydrophobicContact CG-CZ 4.15Å
421V97.1Very high90.1Very high26 Ų2642.7 Ų42.716%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-103.9134.5-179.967.90000111.4L366 K368 L373 V397 K398 F400L366-V421 HydrophobicContact CB-CB 4.37Å; L366-V421 HydrophobicContact CB-CG2 4.44Å; L366-V421 CarbonylContact O-C 3.45Å; L366-V421 VanDerWaalsContact O-CA 3.23Å; L366-V421 WeakPolarHBondContact O-CA 3.08Å; K368-V421 HydrophobicContact CB-CG2 4.26Å; L373-V421 HydrophobicContact CD1-CB 4.17Å; L373-V421 HydrophobicContact CD1-CG2 3.63Å; V397-V421 HydrophobicContact CG1-CB 3.86Å; V397-V421 HydrophobicContact CG1-CG1 3.86Å; K398-V421 PolarHBondContact O-N 3.36Å; F400-V421 WeakPolarHBondContact CB-O 3.49Å; F400-V421 PolarHBondContact N-O 3.45Å
422S94.1Very high90.4Very high1 Ų141.5 Ų41.51%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-113146167.2-56.60000110.2L366 C367 K368 F400 S424L366-S422 PolarHBondContact O-N 3.49Å; C367-S422 VanDerWaalsContact CA-O 3.24Å; C367-S422 WeakPolarHBondContact CA-O 3.35Å; K368-S422 PolarHBondContact N-O 3.12Å; F400-S422 WeakPolarHBondContact CB-OG 3.04Å; F400-S422 WeakPolarHBondContact CD1-OG 3.28Å; S422-S424 VanDerWaalsContact C-N 3.33Å
423E90.8Very high91.1Very high114 Ų11445.2 Ų45.253%0.53322%0.223SC..SBendtrans-73.5-30.4175.9-61.8-66.7147.500111E427E423-E427 WeakPolarHBondContact CA-OE2 3.32Å; E423-E427 WeakPolarHBondContact CB-OE2 3.49Å; E423-E427 PolarHBondContact N-OE2 3.4Å
424S88.3Confident91.9Very high51 Ų5146 Ų4636%0.35722%0.224SC..  trans-155.9163.4172.370.50000112.7S422 E426 E427 A428S422-S424 VanDerWaalsContact C-N 3.33Å; S424-E426 PolarHBondContact O-N 2.88Å; S424-E426 PolarHBondContact OG-N 3.43Å; S424-E427 PolarHBondContact O-N 3.15Å; S424-E427 PolarHBondContact OG-N 3.33Å; S424-E427 VanDerWaalsContact OG-N 3.13Å; S424-A428 PolarHBondContact O-N 3.37Å; S424-A428 VanDerWaalsContact O-N 3.1Å
425F88Confident92.3Very high11 Ų1143.1 Ų43.15%0.04821%0.206CC..Hα-helixtrans-63.8-26.7170.9-57.8-37.8000112.8E238 L326 K331 F332 Y376 K429E238-F425 HydrophobicContact CB-CE2 3.96Å; E238-F425 HydrophobicContact CG-CD2 4.34Å; E238-F425 HydrophobicContact CG-CE2 3.71Å; L326-F425 HydrophobicContact CD2-CZ 4.34Å; K331-F425 HydrophobicContact CB-CB 4.39Å; F332-F425 HydrophobicContact CB-CD2 4.16Å; F332-F425 HydrophobicContact CB-CE2 4.28Å; F332-F425 HydrophobicContact CD2-CD1 4.06Å; F332-F425 HydrophobicContact CD2-CD2 4.4Å; F332-F425 AromaticContact CD2-CE1 3.89Å; F332-F425 HydrophobicContact CD2-CE1 3.89Å; F332-F425 HydrophobicContact CD2-CE2 4.23Å; F332-F425 HydrophobicContact CD2-CG 4.33Å; F332-F425 AromaticContact CD2-CZ 3.99Å; F332-F425 HydrophobicContact CD2-CZ 3.99Å; F332-F425 HydrophobicContact CE2-CE1 4.39Å; Y376-F425 AromaticContact CD1-CE1 3.83Å; Y376-F425 HydrophobicContact CD1-CE1 3.83Å; Y376-F425 AromaticContact CD2-CE1 3.84Å; Y376-F425 HydrophobicContact CD2-CE1 3.84Å; Y376-F425 HydrophobicContact CD2-CZ 4.48Å; Y376-F425 HydrophobicContact CE1-CE1 4.18Å; Y376-F425 HydrophobicContact CE2-CE1 4.19Å; Y376-F425 AromaticContact CG-CE1 3.65Å; Y376-F425 HydrophobicContact CG-CE1 3.65Å; Y376-F425 HydrophobicContact CG-CZ 4.15Å; F425-K429 VanDerWaalsContact O-CB 3.29Å; F425-K429 WeakPolarHBondContact O-CB 3.47Å; F425-K429 PolarHBondContact O-N 2.82Å
426E89.8Confident92.3Very high62 Ų6240.4 Ų40.429%0.2920%0.196SC..Hα-helixtrans-68-45.2175.9-166.463.2-158.600110.7S424 A428 K429 E430S424-E426 PolarHBondContact O-N 2.88Å; S424-E426 PolarHBondContact OG-N 3.43Å; E426-A428 PolarHBondContact O-N 3.34Å; E426-K429 WeakPolarHBondContact O-CB 3.19Å; E426-K429 PolarHBondContact O-N 3.21Å; E426-K429 WeakPolarHBondContact OE1-CE 3.35Å; E426-K429 IonicContact OE1-NZ 3.65Å; E426-K429 PolarHBondContact OE1-NZ 2.76Å; E426-K429 IonicContact OE2-NZ 2.74Å; E426-K429 PolarHBondContact OE2-NZ 2.86Å; E426-E430 WeakPolarHBondContact O-CG 3.42Å; E426-E430 PolarHBondContact O-N 2.95Å
427E91.8Very high92.2Very high47 Ų4747.8 Ų47.822%0.2223%0.229CC..Hα-helixtrans-61-45.6174.8-173.9-157.1172.600111.4E423 S424 K429 E430 K431E423-E427 WeakPolarHBondContact CA-OE2 3.32Å; E423-E427 WeakPolarHBondContact CB-OE2 3.49Å; E423-E427 PolarHBondContact N-OE2 3.4Å; S424-E427 PolarHBondContact O-N 3.15Å; S424-E427 PolarHBondContact OG-N 3.33Å; S424-E427 VanDerWaalsContact OG-N 3.13Å; E427-K429 VanDerWaalsContact C-N 3.29Å; E427-K429 PolarHBondContact O-N 3.41Å; E427-E430 PolarHBondContact O-N 2.95Å; E427-K431 HydrophobicContact CG-CD 4.25Å; E427-K431 WeakPolarHBondContact O-CB 3.26Å; E427-K431 WeakPolarHBondContact O-CG 3.46Å; E427-K431 PolarHBondContact O-N 2.59Å; E427-K431 VanDerWaalsContact OE1-CE 3.26Å; E427-K431 WeakPolarHBondContact OE1-CE 3.05Å; E427-K431 IonicContact OE1-NZ 3.31Å; E427-K431 PolarHBondContact OE1-NZ 3.04Å
428A90.9Very high92.1Very high0 Ų044.9 Ų44.90%022%0.223CC..Hα-helixtrans-60.3-40.7177.200000111.7F335 F400 S424 E426 M432F335-A428 HydrophobicContact CD2-CB 4.19Å; F335-A428 HydrophobicContact CE2-CB 3.83Å; F335-A428 HydrophobicContact CZ-CB 4.15Å; F400-A428 HydrophobicContact CD1-CB 4.24Å; F400-A428 HydrophobicContact CE1-CB 4.18Å; S424-A428 PolarHBondContact O-N 3.37Å; S424-A428 VanDerWaalsContact O-N 3.1Å; E426-A428 PolarHBondContact O-N 3.34Å; A428-M432 WeakPolarHBondContact O-CB 3.32Å; A428-M432 WeakPolarHBondContact O-CG 3.41Å; A428-M432 PolarHBondContact O-N 2.69Å
429K91Very high91.8Very high7 Ų745.4 Ų45.43%0.0323%0.225CC..Hα-helixtrans-64.4-47.6175.1-174.6-171.375.2-166.20112.4Q334 F335 F425 E426 E427 K431 M432 R433Q334-K429 HydrophobicContact CB-CD 4.16Å; F335-K429 HydrophobicContact CB-CB 4.24Å; F335-K429 HydrophobicContact CD2-CB 4.09Å; F425-K429 VanDerWaalsContact O-CB 3.29Å; F425-K429 WeakPolarHBondContact O-CB 3.47Å; F425-K429 PolarHBondContact O-N 2.82Å; E426-K429 WeakPolarHBondContact O-CB 3.19Å; E426-K429 PolarHBondContact O-N 3.21Å; E426-K429 WeakPolarHBondContact OE1-CE 3.35Å; E426-K429 IonicContact OE1-NZ 3.65Å; E426-K429 PolarHBondContact OE1-NZ 2.76Å; E426-K429 IonicContact OE2-NZ 2.74Å; E426-K429 PolarHBondContact OE2-NZ 2.86Å; E427-K429 VanDerWaalsContact C-N 3.29Å; E427-K429 PolarHBondContact O-N 3.41Å; K429-K431 PolarHBondContact O-N 3.45Å; K429-M432 PolarHBondContact O-N 2.99Å; K429-R433 WeakPolarHBondContact O-CG 2.93Å; K429-R433 PolarHBondContact O-N 2.75Å
430E93.1Very high91.2Very high106 Ų10651.2 Ų51.250%0.49526%0.261SS..Hα-helixtrans-60.3-45.6177.3-73177.7167.600111.4E426 E427 M432 R433 D434E426-E430 WeakPolarHBondContact O-CG 3.42Å; E426-E430 PolarHBondContact O-N 2.95Å; E427-E430 PolarHBondContact O-N 2.95Å; E430-M432 PolarHBondContact O-N 3.24Å; E430-R433 WeakPolarHBondContact O-CB 3.42Å; E430-R433 PolarHBondContact O-N 2.96Å; E430-D434 PolarHBondContact O-N 2.91Å
431K93.9Very high90.7Very high59 Ų5953.4 Ų53.426%0.25727%0.269SS..Hα-helixtrans-60-42.9175.1-76.5177.9169.1173.60112.3F400 P402 E427 K429 D434 F435F400-K431 HydrophobicContact CD1-CD 4.33Å; F400-K431 HydrophobicContact CE1-CB 4.44Å; F400-K431 WeakPolarHBondContact O-CD 3.45Å; F400-K431 PolarHBondContact O-NZ 3.13Å; P402-K431 HydrophobicContact CG-CB 3.98Å; E427-K431 HydrophobicContact CG-CD 4.25Å; E427-K431 WeakPolarHBondContact O-CB 3.26Å; E427-K431 WeakPolarHBondContact O-CG 3.46Å; E427-K431 PolarHBondContact O-N 2.59Å; E427-K431 VanDerWaalsContact OE1-CE 3.26Å; E427-K431 WeakPolarHBondContact OE1-CE 3.05Å; E427-K431 IonicContact OE1-NZ 3.31Å; E427-K431 PolarHBondContact OE1-NZ 3.04Å; K429-K431 PolarHBondContact O-N 3.45Å; K431-D434 PolarHBondContact O-N 2.78Å; K431-F435 WeakPolarHBondContact O-CB 3.34Å; K431-F435 PolarHBondContact O-N 3.48Å
432M92.1Very high90.1Very high2 Ų256.7 Ų56.71%0.0129%0.291CS..Hα-helixtrans-68.2-36.5176.2-77.9-53.7-63.200112.9F335 I339 L354 C357 F400 P402 A428 K429 E430 D434 F435 A436F335-M432 HydrophobicContact CD2-CG 4.5Å; F335-M432 HydrophobicContact CE2-CB 4.26Å; F335-M432 HydrophobicContact CE2-CG 3.61Å; F335-M432 HydrophobicContact CZ-CG 4.39Å; I339-M432 HydrophobicContact CG1-CE 4.11Å; I339-M432 HydrophobicContact CG1-CG 4.47Å; L354-M432 HydrophobicContact CD2-CE 3.61Å; C357-M432 HydrophobicContact CB-CE 3.86Å; C357-M432 HydrophobicContact CB-SD 3.81Å; F400-M432 HydrophobicContact CE1-CG 4.36Å; F400-M432 HydrophobicContact CZ-CG 4.2Å; F400-M432 HydrophobicContact CZ-SD 3.91Å; P402-M432 HydrophobicContact CB-SD 3.83Å; P402-M432 HydrophobicContact CG-CG 4.35Å; P402-M432 HydrophobicContact CG-SD 3.52Å; P402-M432 VanDerWaalsContact CG-SD 3.52Å; A428-M432 WeakPolarHBondContact O-CB 3.32Å; A428-M432 WeakPolarHBondContact O-CG 3.41Å; A428-M432 PolarHBondContact O-N 2.69Å; K429-M432 PolarHBondContact O-N 2.99Å; E430-M432 PolarHBondContact O-N 3.24Å; M432-D434 VanDerWaalsContact C-N 3.34Å; M432-F435 HydrophobicContact CE-CD1 4.01Å; M432-F435 PolarHBondContact O-N 3.15Å; M432-F435 HydrophobicContact SD-CD1 4.43Å; M432-A436 WeakPolarHBondContact O-CB 3.17Å; M432-A436 PolarHBondContact O-N 3.46Å
433R90.3Very high89.9Confident100 Ų10057.2 Ų57.238%0.37729%0.293SS..Hα-helixtrans-60-45.6171.9-78.9179.1173.4172.9-1.8111.6E338 K429 E430 F435 A436 K437E338-R433 VanDerWaalsContact CD-NE 3.32Å; E338-R433 HydrophobicContact CG-CG 3.58Å; E338-R433 WeakPolarHBondContact OE1-CG 3.38Å; E338-R433 IonicContact OE1-NE 3.67Å; E338-R433 IonicContact OE2-CZ 3.24Å; E338-R433 VanDerWaalsContact OE2-CZ 3.29Å; E338-R433 IonicContact OE2-NE 2.61Å; E338-R433 PolarHBondContact OE2-NE 3.24Å; E338-R433 IonicContact OE2-NH2 2.76Å; E338-R433 PolarHBondContact OE2-NH2 3.29Å; K429-R433 WeakPolarHBondContact O-CG 2.93Å; K429-R433 PolarHBondContact O-N 2.75Å; E430-R433 WeakPolarHBondContact O-CB 3.42Å; E430-R433 PolarHBondContact O-N 2.96Å; R433-F435 VanDerWaalsContact C-N 3.33Å; R433-A436 PolarHBondContact O-N 2.8Å; R433-K437 PolarHBondContact O-N 2.81Å
434D92.3Very high89.9Confident90 Ų9055.1 Ų55.148%0.48129%0.291SS..Hα-helixtrans-66.7-36.8177.6-76.4-17.8000112E430 K431 M432 K437E430-D434 PolarHBondContact O-N 2.91Å; K431-D434 PolarHBondContact O-N 2.78Å; M432-D434 VanDerWaalsContact C-N 3.34Å; D434-K437 WeakPolarHBondContact O-CB 3.04Å; D434-K437 PolarHBondContact O-N 3.06Å; D434-K437 IonicContact OD1-NZ 3.02Å; D434-K437 PolarHBondContact OD1-NZ 3.41Å
435F92.6Very high90.1Very high11 Ų1153.6 Ų53.65%0.04828%0.279CS..Hα-helixtrans-64.9-41.4172.2-174.8-109.3000112.2K353 L354 P402 K403 C406 K431 M432 R433 K437 S438K353-F435 HydrophobicContact CB-CE1 4.29Å; K353-F435 HydrophobicContact CB-CZ 3.98Å; K353-F435 HydrophobicContact CD-CZ 4.27Å; L354-F435 HydrophobicContact CD2-CD1 4.22Å; L354-F435 HydrophobicContact CD2-CE1 4.18Å; P402-F435 HydrophobicContact CB-CB 3.59Å; P402-F435 HydrophobicContact CB-CD1 4.02Å; P402-F435 HydrophobicContact CB-CD2 3.65Å; P402-F435 HydrophobicContact CB-CE2 4.33Å; P402-F435 HydrophobicContact CB-CG 3.47Å; P402-F435 VanDerWaalsContact CB-CG 3.47Å; P402-F435 HydrophobicContact CG-CB 4.06Å; P402-F435 HydrophobicContact CG-CG 4.44Å; K403-F435 HydrophobicContact CG-CD2 4.22Å; C406-F435 HydrophobicContact CB-CZ 4.2Å; K431-F435 WeakPolarHBondContact O-CB 3.34Å; K431-F435 PolarHBondContact O-N 3.48Å; M432-F435 HydrophobicContact CE-CD1 4.01Å; M432-F435 PolarHBondContact O-N 3.15Å; M432-F435 HydrophobicContact SD-CD1 4.43Å; R433-F435 VanDerWaalsContact C-N 3.33Å; F435-K437 PolarHBondContact O-N 3.26Å; F435-S438 WeakPolarHBondContact O-CB 2.97Å; F435-S438 PolarHBondContact O-N 3.42Å; F435-S438 PolarHBondContact O-OG 3.27Å
436A89.8Confident90.3Very high15 Ų1556.2 Ų56.212%0.12429%0.289CS..Hα-helixtrans-61.7-27.1178.800000112.9A342 M432 R433 S438 I439A342-A436 HydrophobicContact CB-CB 3.75Å; M432-A436 WeakPolarHBondContact O-CB 3.17Å; M432-A436 PolarHBondContact O-N 3.46Å; R433-A436 PolarHBondContact O-N 2.8Å; A436-S438 PolarHBondContact O-N 2.98Å; A436-I439 HydrophobicContact CB-CD1 4.46Å; A436-I439 WeakPolarHBondContact O-CB 2.92Å; A436-I439 PolarHBondContact O-N 2.96Å; A436-I439 VanDerWaalsContact O-N 3.15Å
437K89.5Confident90.6Very high162 Ų16254.4 Ų54.470%0.70428%0.281SS*.THydrogen-bonded Turntrans-63.6-20.1172.2-64.5169.7-173.2163.70113.4R433 D434 F435R433-K437 PolarHBondContact O-N 2.81Å; D434-K437 WeakPolarHBondContact O-CB 3.04Å; D434-K437 PolarHBondContact O-N 3.06Å; D434-K437 IonicContact OD1-NZ 3.02Å; D434-K437 PolarHBondContact OD1-NZ 3.41Å; F435-K437 PolarHBondContact O-N 3.26Å
438S89.3Confident90.6Very high71 Ų7152.8 Ų52.850%0.49727%0.273SS..THydrogen-bonded Turntrans-85.4-10.8176.873.30000113.8F435 A436F435-S438 WeakPolarHBondContact O-CB 2.97Å; F435-S438 PolarHBondContact O-N 3.42Å; F435-S438 PolarHBondContact O-OG 3.27Å; A436-S438 PolarHBondContact O-N 2.98Å
439I89Confident90.7Very high13 Ų1356.3 Ų56.37%0.06730%0.296CS..SBendtrans-75126.7178.5-61.2177.3000109A342 A346 D350 L354 A436 R441A342-I439 HydrophobicContact CB-CD1 3.88Å; A346-I439 HydrophobicContact CB-CG2 3.67Å; D350-I439 HydrophobicContact CB-CG1 4.28Å; D350-I439 HydrophobicContact CB-CG2 4.04Å; L354-I439 HydrophobicContact CD1-CD1 3.73Å; L354-I439 HydrophobicContact CD2-CD1 3.96Å; L354-I439 HydrophobicContact CG-CD1 3.97Å; A436-I439 HydrophobicContact CB-CD1 4.46Å; A436-I439 WeakPolarHBondContact O-CB 2.92Å; A436-I439 PolarHBondContact O-N 2.96Å; A436-I439 VanDerWaalsContact O-N 3.15Å; I439-R441 PolarHBondContact O-N 3.45Å
440T83.2Confident90.6Very high121 Ų12165.4 Ų65.474%0.74233%0.332SS*.  trans-85.4109.5-175.8-56.30000110.1
441R86.9Confident90.5Very high52 Ų5264.3 Ų64.320%0.19633%0.333CS..  trans-147.6149.4168.553.3172.1-175.9-156.8-5.5110.6L341 L344 I439 F443L341-R441 PolarHBondContact O-NH1 3.24Å; L344-R441 PolarHBondContact O-NH1 2.7Å; I439-R441 PolarHBondContact O-N 3.45Å; R441-F443 WeakPolarHBondContact CD-O 2.94Å; R441-F443 WeakPolarHBondContact CG-O 3.39Å; R441-F443 PolarHBondContact NE-O 3.39Å; R441-F443 PolarHBondContact O-N 3.18Å; R441-F443 VanDerWaalsContact O-N 3.09Å
442P85.6Confident90.5Very high96 Ų9664.5 Ų64.562%0.62333%0.334SS*.SBendtrans-778.6-172.428.1-31.1000114.8V151V151-P442 HydrophobicContact CG2-CG 3.6Å
443F90.1Very high90.6Very high11 Ų1165.5 Ų65.55%0.04834%0.341CS..SBendtrans-154.2165.6-177.452.2-96.2000111.1L148 V151 F154 R441 V445 I456 K458L148-F443 HydrophobicContact CB-CE1 4.4Å; L148-F443 HydrophobicContact CD1-CD1 3.79Å; L148-F443 HydrophobicContact CD1-CE1 3.17Å; L148-F443 HydrophobicContact CD1-CE2 4.47Å; L148-F443 HydrophobicContact CD1-CZ 3.59Å; L148-F443 HydrophobicContact CD2-CD1 3.92Å; L148-F443 HydrophobicContact CD2-CE1 4Å; L148-F443 HydrophobicContact CG-CD1 4.44Å; L148-F443 HydrophobicContact CG-CE1 4.03Å; V151-F443 HydrophobicContact CB-CE1 4.41Å; V151-F443 HydrophobicContact CG1-CE1 3.8Å; V151-F443 HydrophobicContact CG1-CZ 3.73Å; V151-F443 HydrophobicContact CG2-CE1 4Å; F154-F443 HydrophobicContact CE1-CE2 4.12Å; F154-F443 AromaticContact CE1-CZ 3.78Å; F154-F443 HydrophobicContact CE1-CZ 3.78Å; F154-F443 HydrophobicContact CZ-CE2 4.08Å; F154-F443 HydrophobicContact CZ-CZ 4.15Å; R441-F443 WeakPolarHBondContact CD-O 2.94Å; R441-F443 WeakPolarHBondContact CG-O 3.39Å; R441-F443 PolarHBondContact NE-O 3.39Å; R441-F443 PolarHBondContact O-N 3.18Å; R441-F443 VanDerWaalsContact O-N 3.09Å; F443-V445 HydrophobicContact CD2-CG1 3.88Å; F443-V445 HydrophobicContact CE2-CG1 3.72Å; F443-I456 HydrophobicContact CB-CG2 3.75Å; F443-I456 HydrophobicContact CD1-CG2 4.19Å; F443-I456 HydrophobicContact CD2-CG2 3.85Å; F443-I456 HydrophobicContact CG-CG2 3.64Å; F443-K458 HydrophobicContact CB-CB 3.92Å
444S90.8Very high90.7Very high70 Ų7061.2 Ų61.249%0.4933%0.326SS..EExtended strand (participates in β ladder)trans-99.9160.7163.7-67.40000110.6L457S444-L457 PolarHBondContact N-O 2.68Å; S444-L457 PolarHBondContact O-N 3.02Å
445V92.6Very high90.6Very high19 Ų1959 Ų5912%0.11531%0.312CS..EExtended strand (participates in β ladder)trans-117.8144.1176.9-60.50000109.9L341 L344 F443 I454 E455L341-V445 HydrophobicContact CB-CG2 4.23Å; L341-V445 HydrophobicContact CD2-CG2 4.16Å; L341-V445 WeakPolarHBondContact O-CG2 3.45Å; L344-V445 HydrophobicContact CB-CG1 4.44Å; L344-V445 HydrophobicContact CD1-CG2 4.41Å; F443-V445 HydrophobicContact CD2-CG1 3.88Å; F443-V445 HydrophobicContact CE2-CG1 3.72Å; V445-I454 HydrophobicContact CB-CG2 3.79Å; V445-I454 HydrophobicContact CG1-CG2 3.97Å; V445-E455 WeakPolarHBondContact CA-O 3.48Å
446Y92.4Very high90.5Very high67 Ų6759.2 Ų59.226%0.26331%0.314SS..EExtended strand (participates in β ladder)trans-129.1130.4173.2176.7-103.8000109.2N448 I454 E455 V466Y446-N448 HydrophobicContact CE1-CB 4.45Å; Y446-I454 WeakPolarHBondContact O-CA 3.46Å; Y446-E455 HydrophobicContact CD1-CB 4.5Å; Y446-E455 PolarHBondContact N-O 3.27Å; Y446-E455 PolarHBondContact O-N 3.23Å; Y446-V466 HydrophobicContact CD1-CG1 4.07Å; Y446-V466 HydrophobicContact CD1-CG2 3.73Å; Y446-V466 HydrophobicContact CD2-CG1 4.06Å; Y446-V466 HydrophobicContact CE1-CG1 4.02Å; Y446-V466 HydrophobicContact CE1-CG2 4.19Å; Y446-V466 HydrophobicContact CE2-CG1 4.02Å; Y446-V466 HydrophobicContact CG-CG1 4.08Å; Y446-V466 HydrophobicContact CG-CG2 4.12Å
447F95Very high90.6Very high24 Ų2460 Ų6011%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-88.8118.9174.8176.6-106000110.1Y293 L341 P449 I454Y293-F447 HydrophobicContact CD1-CD2 4.27Å; Y293-F447 AromaticContact CD1-CE2 3.69Å; Y293-F447 HydrophobicContact CD1-CE2 3.69Å; Y293-F447 HydrophobicContact CE1-CE2 4.25Å; Y293-F447 HydrophobicContact CG-CE2 4.4Å; L341-F447 HydrophobicContact CD2-CB 3.93Å; F447-P449 HydrophobicContact CD1-CB 4.45Å; F447-P449 HydrophobicContact CE1-CB 3.99Å; F447-P449 WeakPolarHBondContact O-CD 3.04Å; F447-I454 HydrophobicContact CB-CD1 3.96Å; F447-I454 HydrophobicContact CD2-CD1 3.94Å; F447-I454 HydrophobicContact CG-CD1 4.46Å
448N92.6Very high90.4Very high13 Ų1356.4 Ų56.47%0.0730%0.301CS..EExtended strand (participates in β ladder)trans-90.4110173-172.7-31.8000109.4Y446 Y450 T451 Q452 S453 E455Y446-N448 HydrophobicContact CE1-CB 4.45Å; N448-Y450 VanDerWaalsContact C-N 3.29Å; N448-Y450 PolarHBondContact O-N 3.33Å; N448-Y450 WeakPolarHBondContact OD1-CB 3.4Å; N448-Y450 PolarHBondContact OD1-N 3.28Å; N448-T451 WeakPolarHBondContact CB-OG1 3.05Å; N448-T451 VanDerWaalsContact CG-OG1 3.3Å; N448-T451 PolarHBondContact OD1-N 3.3Å; N448-Q452 VanDerWaalsContact O-CA 3.27Å; N448-Q452 WeakPolarHBondContact O-CA 3.36Å; N448-Q452 PolarHBondContact O-N 3.15Å; N448-S453 PolarHBondContact N-O 3.25Å; N448-S453 PolarHBondContact O-N 3.38Å; N448-E455 HydrophobicContact CB-CG 4.41Å; N448-E455 WeakPolarHBondContact CB-OE1 3.48Å; N448-E455 PolarHBondContact ND2-OE1 2.98Å
449P92.3Very high90.2Very high74 Ų7456.3 Ų56.348%0.48129%0.294SS..THydrogen-bonded Turntrans-71.3-22-177.329.5-35.5000113.4F447F447-P449 HydrophobicContact CD1-CB 4.45Å; F447-P449 HydrophobicContact CE1-CB 3.99Å; F447-P449 WeakPolarHBondContact O-CD 3.04Å
450Y89.5Confident90.2Very high198 Ų19860.5 Ų60.578%0.77632%0.32SS*.THydrogen-bonded Turntrans-74.4-42.3-179.5-65-79.7000111.9N448N448-Y450 VanDerWaalsContact C-N 3.29Å; N448-Y450 PolarHBondContact O-N 3.33Å; N448-Y450 WeakPolarHBondContact OD1-CB 3.4Å; N448-Y450 PolarHBondContact OD1-N 3.28Å
451T90.6Very high90.2Very high83 Ų8363.7 Ų63.751%0.50932%0.319SS..THydrogen-bonded Turntrans-93.9-9.3177.957.50000112.8N448 S453N448-T451 WeakPolarHBondContact CB-OG1 3.05Å; N448-T451 VanDerWaalsContact CG-OG1 3.3Å; N448-T451 PolarHBondContact OD1-N 3.3Å; T451-S453 VanDerWaalsContact C-N 3.27Å; T451-S453 PolarHBondContact O-N 3.26Å; T451-S453 PolarHBondContact OG1-OG 3.1Å
452Q93.4Very high90.2Very high63 Ų6362.1 Ų62.129%0.29432%0.316SS..THydrogen-bonded Turntrans5345.1-175.4-54.7179.2-67.200112I158 Y203 N448I158-Q452 HydrophobicContact CB-CB 4.08Å; I158-Q452 HydrophobicContact CD1-CB 4.48Å; I158-Q452 HydrophobicContact CG2-CB 3.61Å; I158-Q452 PolarHBondContact N-O 2.83Å; Y203-Q452 PolarHBondContact OH-OE1 3.5Å; N448-Q452 VanDerWaalsContact O-CA 3.27Å; N448-Q452 WeakPolarHBondContact O-CA 3.36Å; N448-Q452 PolarHBondContact O-N 3.15Å
453S94Very high90.3Very high22 Ų2261.5 Ų61.515%0.15431%0.306CS..EExtended strand (participates in β ladder)trans-134.2160.1-175.464.30000112.2R156 N448 T451R156-S453 CarbonylContact O-C 3.57Å; R156-S453 VanDerWaalsContact O-CA 3.27Å; R156-S453 WeakPolarHBondContact O-CA 3.13Å; R156-S453 WeakPolarHBondContact O-CB 3.35Å; N448-S453 PolarHBondContact N-O 3.25Å; N448-S453 PolarHBondContact O-N 3.38Å; T451-S453 VanDerWaalsContact C-N 3.27Å; T451-S453 PolarHBondContact O-N 3.26Å; T451-S453 PolarHBondContact OG1-OG 3.1Å
454I93.8Very high90.3Very high10 Ų1065.9 Ų65.95%0.05133%0.327CS..EExtended strand (participates in β ladder)trans-94.5122173.7-63.2-70.1000109.5F154 R156 Y293 L341 L344 V445 Y446 F447F154-I454 HydrophobicContact CE2-CG2 4.02Å; R156-I454 PolarHBondContact O-N 3Å; Y293-I454 HydrophobicContact CE1-CG1 4Å; Y293-I454 HydrophobicContact CE2-CG1 4.18Å; Y293-I454 WeakPolarHBondContact OH-CG1 3.22Å; L341-I454 HydrophobicContact CD2-CD1 3.65Å; L344-I454 HydrophobicContact CD1-CB 4.41Å; L344-I454 HydrophobicContact CD1-CD1 3.47Å; L344-I454 VanDerWaalsContact CD1-CD1 3.47Å; L344-I454 HydrophobicContact CD1-CG1 3.58Å; L344-I454 HydrophobicContact CD1-CG2 4.09Å; V445-I454 HydrophobicContact CB-CG2 3.79Å; V445-I454 HydrophobicContact CG1-CG2 3.97Å; Y446-I454 WeakPolarHBondContact O-CA 3.46Å; F447-I454 HydrophobicContact CB-CD1 3.96Å; F447-I454 HydrophobicContact CD2-CD1 3.94Å; F447-I454 HydrophobicContact CG-CD1 4.46Å
455E90.2Very high89.9Confident43 Ų4366.2 Ų66.220%0.20132%0.324CS..EExtended strand (participates in β ladder)trans-91.5130.8170.1-65.3-176.6-159.800109.8V445 Y446 N448 V466V445-E455 WeakPolarHBondContact CA-O 3.48Å; Y446-E455 HydrophobicContact CD1-CB 4.5Å; Y446-E455 PolarHBondContact N-O 3.27Å; Y446-E455 PolarHBondContact O-N 3.23Å; N448-E455 HydrophobicContact CB-CG 4.41Å; N448-E455 WeakPolarHBondContact CB-OE1 3.48Å; N448-E455 PolarHBondContact ND2-OE1 2.98Å; E455-V466 WeakPolarHBondContact OE2-CG2 3.38Å
456I90.9Very high89.7Confident17 Ų1765.8 Ų65.89%0.08732%0.321CS..EExtended strand (participates in β ladder)trans-92.6113.9-179.9-58.1-177.1000109L148 F154 F443 K458 S462L148-I456 HydrophobicContact CD1-CD1 3.72Å; F154-I456 HydrophobicContact CZ-CD1 3.93Å; F154-I456 HydrophobicContact CZ-CG1 4.34Å; F443-I456 HydrophobicContact CB-CG2 3.75Å; F443-I456 HydrophobicContact CD1-CG2 4.19Å; F443-I456 HydrophobicContact CD2-CG2 3.85Å; F443-I456 HydrophobicContact CG-CG2 3.64Å; I456-K458 HydrophobicContact CG2-CB 4.15Å; I456-K458 HydrophobicContact CG2-CD 4.29Å; I456-K458 HydrophobicContact CG2-CG 4.28Å; I456-K458 PolarHBondContact O-N 2.86Å; I456-S462 WeakPolarHBondContact O-CB 3.4Å; I456-S462 PolarHBondContact O-OG 2.68Å
457L90Very high89.7Confident32 Ų3266.6 Ų66.617%0.16833%0.333CS..EExtended strand (participates in β ladder)trans-92.788.5178.7-53-173.2000109.4S444 S462 I463 V466S444-L457 PolarHBondContact N-O 2.68Å; S444-L457 PolarHBondContact O-N 3.02Å; L457-S462 WeakPolarHBondContact CA-OG 3.37Å; L457-I463 HydrophobicContact CB-CG1 4.28Å; L457-V466 HydrophobicContact CD2-CG2 3.73Å
458K86.5Confident89.4Confident86 Ų8671.4 Ų71.437%0.37436%0.355SS..  trans-123.1-18-175.866.1174-165.61620113.9E146 F443 I456 S462E146-K458 IonicContact OE1-NZ 2.84Å; E146-K458 PolarHBondContact OE1-NZ 3.21Å; E146-K458 WeakPolarHBondContact OE2-CE 3.43Å; E146-K458 IonicContact OE2-NZ 3.74Å; E146-K458 PolarHBondContact OE2-NZ 2.83Å; F443-K458 HydrophobicContact CB-CB 3.92Å; I456-K458 HydrophobicContact CG2-CB 4.15Å; I456-K458 HydrophobicContact CG2-CD 4.29Å; I456-K458 HydrophobicContact CG2-CG 4.28Å; I456-K458 PolarHBondContact O-N 2.86Å; K458-S462 PolarHBondContact N-OG 2.77Å
459D85.8Confident89.1Confident69 Ų6974.3 Ų74.337%0.36937%0.371SS..SBendtrans-141.6165.9-178.263.661.5000110.9R461 S462 I463D459-R461 PolarHBondContact O-N 2.93Å; D459-R461 WeakPolarHBondContact OD1-CA 3.21Å; D459-R461 VanDerWaalsContact OD1-CB 3.28Å; D459-R461 WeakPolarHBondContact OD1-CB 3.42Å; D459-R461 PolarHBondContact OD1-N 2.68Å; D459-S462 PolarHBondContact O-N 2.88Å; D459-S462 PolarHBondContact O-OG 3.26Å; D459-S462 PolarHBondContact OD1-N 2.72Å; D459-I463 WeakPolarHBondContact O-CG1 3.27Å; D459-I463 PolarHBondContact O-N 2.9Å
460T87.5Confident89Confident100 Ų10074.7 Ų74.761%0.61337%0.368SS*.Hα-helixtrans-56.7-34.3-177.3-48.60000112.4I463 E464T460-I463 PolarHBondContact O-N 2.97Å; T460-E464 HydrophobicContact CG2-CG 4.3Å; T460-E464 WeakPolarHBondContact O-CB 3.21Å; T460-E464 VanDerWaalsContact O-CG 3.27Å; T460-E464 WeakPolarHBondContact O-CG 3.1Å; T460-E464 PolarHBondContact O-N 3.28Å
461R84.2Confident89.1Confident188 Ų18873.4 Ų73.471%0.70936%0.362SS*.Hα-helixtrans-71.7-42.1-175.7-174.5-177.9179.8-178.2-0.5111.4D459 I463 E464 N465D459-R461 PolarHBondContact O-N 2.93Å; D459-R461 WeakPolarHBondContact OD1-CA 3.21Å; D459-R461 VanDerWaalsContact OD1-CB 3.28Å; D459-R461 WeakPolarHBondContact OD1-CB 3.42Å; D459-R461 PolarHBondContact OD1-N 2.68Å; R461-I463 VanDerWaalsContact C-N 3.31Å; R461-E464 PolarHBondContact O-N 3.08Å; R461-N465 PolarHBondContact O-N 2.78Å; R461-N465 PolarHBondContact O-ND2 2.94Å
462S85.7Confident89Confident19 Ų1972.7 Ų72.713%0.13336%0.361CS..Hα-helixtrans-68.4-33.3176.263.20000112.2I456 L457 K458 D459I456-S462 WeakPolarHBondContact O-CB 3.4Å; I456-S462 PolarHBondContact O-OG 2.68Å; L457-S462 WeakPolarHBondContact CA-OG 3.37Å; K458-S462 PolarHBondContact N-OG 2.77Å; D459-S462 PolarHBondContact O-N 2.88Å; D459-S462 PolarHBondContact O-OG 3.26Å; D459-S462 PolarHBondContact OD1-N 2.72Å
463I88.8Confident88.9Confident83 Ų8373.7 Ų73.743%0.42637%0.368SS..Hα-helixtrans-66.6-44.6172.7-62.8166.9000111.3L457 D459 T460 R461 N465 V466 V467L457-I463 HydrophobicContact CB-CG1 4.28Å; D459-I463 WeakPolarHBondContact O-CG1 3.27Å; D459-I463 PolarHBondContact O-N 2.9Å; T460-I463 PolarHBondContact O-N 2.97Å; R461-I463 VanDerWaalsContact C-N 3.31Å; I463-N465 VanDerWaalsContact C-N 3.29Å; I463-N465 PolarHBondContact O-N 3.09Å; I463-V466 PolarHBondContact O-N 3.25Å; I463-V467 HydrophobicContact CG2-CG2 4.18Å; I463-V467 VanDerWaalsContact O-CG2 3.32Å; I463-V467 WeakPolarHBondContact O-CG2 3.47Å; I463-V467 PolarHBondContact O-N 3.45Å
464E88.8Confident88.9Confident103 Ų10378 Ų7848%0.48139%0.389SS..Hα-helixtrans-58.3-39.3179.1-82.4174.7-179.600112.6T460 R461 V467 Q468T460-E464 HydrophobicContact CG2-CG 4.3Å; T460-E464 WeakPolarHBondContact O-CB 3.21Å; T460-E464 VanDerWaalsContact O-CG 3.27Å; T460-E464 WeakPolarHBondContact O-CG 3.1Å; T460-E464 PolarHBondContact O-N 3.28Å; R461-E464 PolarHBondContact O-N 3.08Å; E464-V467 PolarHBondContact O-N 2.97Å; E464-Q468 VanDerWaalsContact O-CG 3.31Å; E464-Q468 WeakPolarHBondContact O-CG 3.28Å; E464-Q468 PolarHBondContact O-N 3.32Å
465N84.2Confident88.9Confident78 Ų7881.5 Ų81.542%0.41741%0.408SS..Hα-helixtrans-61.3-50.3177.3-67.5-22000111.3R461 I463 V467 Q468 D469R461-N465 PolarHBondContact O-N 2.78Å; R461-N465 PolarHBondContact O-ND2 2.94Å; I463-N465 VanDerWaalsContact C-N 3.29Å; I463-N465 PolarHBondContact O-N 3.09Å; N465-V467 VanDerWaalsContact C-N 3.31Å; N465-V467 PolarHBondContact O-N 3.46Å; N465-Q468 WeakPolarHBondContact O-CB 3.15Å; N465-Q468 PolarHBondContact O-N 3.07Å; N465-Q468 VanDerWaalsContact O-N 3.16Å; N465-D469 PolarHBondContact O-N 3.4Å
466V88.4Confident89Confident10 Ų1083.9 Ų83.96%0.06143%0.425CS..Hα-helixtrans-63.2-38.3178.4177.80000111.5Y446 E455 L457 I463 Q468 D469 L470Y446-V466 HydrophobicContact CD1-CG1 4.07Å; Y446-V466 HydrophobicContact CD1-CG2 3.73Å; Y446-V466 HydrophobicContact CD2-CG1 4.06Å; Y446-V466 HydrophobicContact CE1-CG1 4.02Å; Y446-V466 HydrophobicContact CE1-CG2 4.19Å; Y446-V466 HydrophobicContact CE2-CG1 4.02Å; Y446-V466 HydrophobicContact CG-CG1 4.08Å; Y446-V466 HydrophobicContact CG-CG2 4.12Å; E455-V466 WeakPolarHBondContact OE2-CG2 3.38Å; L457-V466 HydrophobicContact CD2-CG2 3.73Å; I463-V466 PolarHBondContact O-N 3.25Å; V466-Q468 VanDerWaalsContact C-N 3.32Å; V466-Q468 PolarHBondContact O-N 3.13Å; V466-D469 PolarHBondContact O-N 3Å; V466-L470 HydrophobicContact CG1-CD1 4.12Å; V466-L470 HydrophobicContact CG1-CG 4.4Å; V466-L470 WeakPolarHBondContact O-CG 3.19Å; V466-L470 PolarHBondContact O-N 2.94Å
467V91.1Very high89.1Confident83 Ų8387 Ų8750%0.50345%0.445SS..Hα-helixtrans-64-36.9176.5170.40000111.8I463 E464 N465 R471I463-V467 HydrophobicContact CG2-CG2 4.18Å; I463-V467 VanDerWaalsContact O-CG2 3.32Å; I463-V467 WeakPolarHBondContact O-CG2 3.47Å; I463-V467 PolarHBondContact O-N 3.45Å; E464-V467 PolarHBondContact O-N 2.97Å; N465-V467 VanDerWaalsContact C-N 3.31Å; N465-V467 PolarHBondContact O-N 3.46Å; V467-R471 WeakPolarHBondContact O-CB 3.46Å; V467-R471 PolarHBondContact O-N 2.93Å
468Q89.4Confident89.2Confident125 Ų12588.5 Ų88.558%0.58446%0.457SS*.Hα-helixtrans-64.5-42.7176-74.6175.518.100111.7E464 N465 V466 R471 S472E464-Q468 VanDerWaalsContact O-CG 3.31Å; E464-Q468 WeakPolarHBondContact O-CG 3.28Å; E464-Q468 PolarHBondContact O-N 3.32Å; N465-Q468 WeakPolarHBondContact O-CB 3.15Å; N465-Q468 PolarHBondContact O-N 3.07Å; N465-Q468 VanDerWaalsContact O-N 3.16Å; V466-Q468 VanDerWaalsContact C-N 3.32Å; V466-Q468 PolarHBondContact O-N 3.13Å; Q468-R471 WeakPolarHBondContact O-CB 3.37Å; Q468-R471 PolarHBondContact O-N 3.32Å; Q468-S472 PolarHBondContact O-N 2.9Å; Q468-S472 VanDerWaalsContact O-N 3.12Å
469D85.7Confident89.6Confident75 Ų7588.9 Ų88.940%0.40146%0.463SS..Hα-helixtrans-62.8-48.8176.7-69.1-14.2000111.1N465 V466 R471 S472 D473N465-D469 PolarHBondContact O-N 3.4Å; V466-D469 PolarHBondContact O-N 3Å; D469-R471 VanDerWaalsContact C-N 3.27Å; D469-R471 PolarHBondContact O-N 3.37Å; D469-S472 VanDerWaalsContact O-CB 3.27Å; D469-S472 WeakPolarHBondContact O-CB 3.26Å; D469-S472 PolarHBondContact O-N 2.91Å; D469-D473 PolarHBondContact O-N 3.27Å
470L89.8Confident89.9Confident81 Ų8188 Ų8842%0.42447%0.465SS..Hα-helixtrans-60.6-35.5177-69.2174.6000112.7V466 S472 D473 L474V466-L470 HydrophobicContact CG1-CD1 4.12Å; V466-L470 HydrophobicContact CG1-CG 4.4Å; V466-L470 WeakPolarHBondContact O-CG 3.19Å; V466-L470 PolarHBondContact O-N 2.94Å; L470-S472 VanDerWaalsContact C-N 3.32Å; L470-D473 PolarHBondContact O-N 3.11Å; L470-L474 WeakPolarHBondContact O-CG 3.49Å; L470-L474 PolarHBondContact O-N 2.8Å
471R92.1Very high90.2Very high172 Ų17288.1 Ų88.165%0.64946%0.462SS*.Hα-helixtrans-64.7-37.6175.1-176.3179.8178.9-175.9-0.6111.5V467 Q468 D469 D473 L474 N475V467-R471 WeakPolarHBondContact O-CB 3.46Å; V467-R471 PolarHBondContact O-N 2.93Å; Q468-R471 WeakPolarHBondContact O-CB 3.37Å; Q468-R471 PolarHBondContact O-N 3.32Å; D469-R471 VanDerWaalsContact C-N 3.27Å; D469-R471 PolarHBondContact O-N 3.37Å; R471-D473 VanDerWaalsContact C-N 3.34Å; R471-L474 PolarHBondContact O-N 3.29Å; R471-N475 PolarHBondContact O-N 2.94Å; R471-N475 PolarHBondContact O-ND2 3.11Å
472S89.3Confident90.6Very high68 Ų6883.5 Ų83.548%0.47645%0.451SS..Hα-helixtrans-62-43.3175.6-173.30000111.5Q468 D469 L470 N475 T476Q468-S472 PolarHBondContact O-N 2.9Å; Q468-S472 VanDerWaalsContact O-N 3.12Å; D469-S472 VanDerWaalsContact O-CB 3.27Å; D469-S472 WeakPolarHBondContact O-CB 3.26Å; D469-S472 PolarHBondContact O-N 2.91Å; L470-S472 VanDerWaalsContact C-N 3.32Å; S472-N475 PolarHBondContact O-N 3.38Å; S472-T476 PolarHBondContact O-N 2.98Å; S472-T476 PolarHBondContact O-OG1 2.87Å
473D90.5Very high90.9Very high84 Ų8488.5 Ų88.545%0.44947%0.47SS..Hα-helixtrans-65.3-44.3176.9-69.8-16.7000111.8D469 L470 R471 N475 T476 V477D469-D473 PolarHBondContact O-N 3.27Å; L470-D473 PolarHBondContact O-N 3.11Å; R471-D473 VanDerWaalsContact C-N 3.34Å; D473-N475 VanDerWaalsContact C-N 3.33Å; D473-N475 PolarHBondContact O-N 2.74Å; D473-T476 WeakPolarHBondContact O-CB 3.43Å; D473-T476 PolarHBondContact O-N 2.77Å; D473-T476 VanDerWaalsContact O-N 3.11Å; D473-V477 PolarHBondContact O-N 2.8Å; D473-V477 VanDerWaalsContact O-N 3.09Å
474L93.8Very high90.9Very high112 Ų11288.5 Ų88.559%0.58647%0.47SS*.Hα-helixtrans-61.2-39.6176.3-74.6172000112.4L470 R471 T476 V477 C478L470-L474 WeakPolarHBondContact O-CG 3.49Å; L470-L474 PolarHBondContact O-N 2.8Å; R471-L474 PolarHBondContact O-N 3.29Å; L474-T476 VanDerWaalsContact C-N 3.28Å; L474-T476 PolarHBondContact O-N 3.09Å; L474-V477 PolarHBondContact O-N 3.32Å; L474-C478 PolarHBondContact O-N 3.02Å; L474-C478 PolarHBondContact O-SG 2.84Å
475N94.1Very high90.9Very high84 Ų8488 Ų8845%0.44947%0.47SS..Hα-helixtrans-59.7-40.8174.4-70.9-25.5000111.3R471 S472 D473 V477 C478 D479R471-N475 PolarHBondContact O-N 2.94Å; R471-N475 PolarHBondContact O-ND2 3.11Å; S472-N475 PolarHBondContact O-N 3.38Å; D473-N475 VanDerWaalsContact C-N 3.33Å; D473-N475 PolarHBondContact O-N 2.74Å; N475-V477 VanDerWaalsContact C-N 3.35Å; N475-V477 PolarHBondContact O-N 3.15Å; N475-C478 WeakPolarHBondContact O-CB 3.44Å; N475-C478 PolarHBondContact O-N 2.96Å; N475-D479 PolarHBondContact O-N 3.16Å
476T93.2Very high91.2Very high92 Ų9291.4 Ų91.456%0.56448%0.484SS*.Hα-helixtrans-63-40.8177.4-56.90000111.8S472 D473 L474 D479 A480S472-T476 PolarHBondContact O-N 2.98Å; S472-T476 PolarHBondContact O-OG1 2.87Å; D473-T476 WeakPolarHBondContact O-CB 3.43Å; D473-T476 PolarHBondContact O-N 2.77Å; D473-T476 VanDerWaalsContact O-N 3.11Å; L474-T476 VanDerWaalsContact C-N 3.28Å; L474-T476 PolarHBondContact O-N 3.09Å; T476-D479 PolarHBondContact O-N 3.31Å; T476-A480 PolarHBondContact O-N 2.89Å
477V92.7Very high91.1Very high83 Ų83100 Ų10050%0.50352%0.516SS..Hα-helixtrans-65.4-43.7175.21770000111D473 L474 N475 D479 A480 L481D473-V477 PolarHBondContact O-N 2.8Å; D473-V477 VanDerWaalsContact O-N 3.09Å; L474-V477 PolarHBondContact O-N 3.32Å; N475-V477 VanDerWaalsContact C-N 3.35Å; N475-V477 PolarHBondContact O-N 3.15Å; V477-D479 VanDerWaalsContact C-N 3.34Å; V477-D479 PolarHBondContact O-N 3.12Å; V477-A480 WeakPolarHBondContact O-CB 3.5Å; V477-A480 PolarHBondContact O-N 3.49Å; V477-L481 HydrophobicContact CG1-CD1 4.24Å; V477-L481 WeakPolarHBondContact O-CG 3.29Å; V477-L481 PolarHBondContact O-N 3.32Å
478C92.8Very high90.6Very high63 Ų63101.6 Ų101.643%0.42652%0.522SS..Hα-helixtrans-58.8-44.1175.1-71.40000111.8L474 N475 A480 L481 N482L474-C478 PolarHBondContact O-N 3.02Å; L474-C478 PolarHBondContact O-SG 2.84Å; N475-C478 WeakPolarHBondContact O-CB 3.44Å; N475-C478 PolarHBondContact O-N 2.96Å; C478-A480 VanDerWaalsContact C-N 3.33Å; C478-A480 PolarHBondContact O-N 3.44Å; C478-L481 PolarHBondContact O-N 3.23Å; C478-N482 WeakPolarHBondContact O-CB 3.25Å; C478-N482 VanDerWaalsContact O-CG 3.27Å; C478-N482 PolarHBondContact O-N 3.49Å; C478-N482 PolarHBondContact O-ND2 3.18Å
479D93.3Very high89.7Confident94 Ų9498.8 Ų98.850%0.50353%0.526SS..Hα-helixtrans-63.7-37.6176.4-75.2-13.8000112.3N475 T476 V477 N482 K483N475-D479 PolarHBondContact O-N 3.16Å; T476-D479 PolarHBondContact O-N 3.31Å; V477-D479 VanDerWaalsContact C-N 3.34Å; V477-D479 PolarHBondContact O-N 3.12Å; D479-N482 PolarHBondContact O-N 3.42Å; D479-K483 WeakPolarHBondContact O-CG 3.31Å; D479-K483 PolarHBondContact O-N 3.4Å
480A93.3Very high88.4Confident50 Ų50102.5 Ų102.541%0.41355%0.545SS..Hα-helixtrans-65.2-44174.600000111.9T476 V477 C478 K483 M484T476-A480 PolarHBondContact O-N 2.89Å; V477-A480 WeakPolarHBondContact O-CB 3.5Å; V477-A480 PolarHBondContact O-N 3.49Å; C478-A480 VanDerWaalsContact C-N 3.33Å; C478-A480 PolarHBondContact O-N 3.44Å; A480-K483 PolarHBondContact O-N 3.43Å; A480-M484 WeakPolarHBondContact O-CG 3.4Å; A480-M484 PolarHBondContact O-N 3.48Å
481L92.8Very high88.4Confident103 Ų103103.6 Ų103.654%0.53955%0.551SS.*Hα-helixtrans-62.3-42.7175.4-71.3171.5000111.7V477 C478 K483 M484 N485V477-L481 HydrophobicContact CG1-CD1 4.24Å; V477-L481 WeakPolarHBondContact O-CG 3.29Å; V477-L481 PolarHBondContact O-N 3.32Å; C478-L481 PolarHBondContact O-N 3.23Å; L481-K483 VanDerWaalsContact C-N 3.34Å; L481-K483 PolarHBondContact O-N 3.31Å; L481-M484 PolarHBondContact O-N 3.01Å; L481-N485 PolarHBondContact O-N 3.12Å
482N92.2Very high88.2Confident91 Ų91100 Ų10049%0.48755%0.546SS..Hα-helixtrans-61-42.4175.8-73.4-29.3000111.9C478 D479 N485 Q486C478-N482 WeakPolarHBondContact O-CB 3.25Å; C478-N482 VanDerWaalsContact O-CG 3.27Å; C478-N482 PolarHBondContact O-N 3.49Å; C478-N482 PolarHBondContact O-ND2 3.18Å; D479-N482 PolarHBondContact O-N 3.42Å; N482-N485 PolarHBondContact O-N 2.98Å; N482-Q486 WeakPolarHBondContact O-CG 3.17Å; N482-Q486 PolarHBondContact O-N 2.86Å
483K91.8Very high88.1Confident124 Ų124101.8 Ų101.854%0.53955%0.549SS..Hα-helixtrans-63.6-42.4173.9-73.6171.2-177.4172.20111.5D479 A480 L481 N485 Q486 Y487D479-K483 WeakPolarHBondContact O-CG 3.31Å; D479-K483 PolarHBondContact O-N 3.4Å; A480-K483 PolarHBondContact O-N 3.43Å; L481-K483 VanDerWaalsContact C-N 3.34Å; L481-K483 PolarHBondContact O-N 3.31Å; K483-N485 VanDerWaalsContact C-N 3.33Å; K483-N485 PolarHBondContact O-N 2.8Å; K483-Q486 PolarHBondContact O-N 3.26Å; K483-Y487 HydrophobicContact CB-CD2 4.34Å; K483-Y487 WeakPolarHBondContact O-CD2 3.15Å; K483-Y487 PolarHBondContact O-N 3.34Å
484M90.4Very high88Confident83 Ų83102.8 Ų102.841%0.40956%0.555SS.*Hα-helixtrans-61.1-41.9176.2-72.9179.164.200111.8A480 L481 Y487 L488 I490A480-M484 WeakPolarHBondContact O-CG 3.4Å; A480-M484 PolarHBondContact O-N 3.48Å; L481-M484 PolarHBondContact O-N 3.01Å; M484-Y487 PolarHBondContact O-N 3.27Å; M484-L488 HydrophobicContact CB-CD1 4.34Å; M484-L488 HydrophobicContact CE-CD1 4.24Å; M484-L488 HydrophobicContact CG-CD1 4.22Å; M484-L488 WeakPolarHBondContact O-CA 3.4Å; M484-L488 WeakPolarHBondContact O-CB 3.29Å; M484-L488 PolarHBondContact O-N 3.4Å; M484-I490 HydrophobicContact CE-CD1 4.02Å
485N89.1Confident87.6Confident93 Ų93102.3 Ų102.350%0.49755%0.553SS.*Hα-helixtrans-62.6-45.5174.9-171.3-7.9000111.3L481 N482 K483 Y487 G489 I490L481-N485 PolarHBondContact O-N 3.12Å; N482-N485 PolarHBondContact O-N 2.98Å; K483-N485 VanDerWaalsContact C-N 3.33Å; K483-N485 PolarHBondContact O-N 2.8Å; N485-Y487 PolarHBondContact O-N 3.4Å; N485-G489 VanDerWaalsContact O-CA 3.31Å; N485-G489 WeakPolarHBondContact O-CA 3.36Å; N485-G489 PolarHBondContact O-N 3.09Å; N485-I490 WeakPolarHBondContact CA-O 3.44Å; N485-I490 VanDerWaalsContact CB-O 3.28Å; N485-I490 WeakPolarHBondContact CB-O 3.32Å; N485-I490 PolarHBondContact OD1-O 3.13Å
486Q89.5Confident87.2Confident150 Ų150103.5 Ų103.570%0.70156%0.56SS**Hα-helixtrans-62.9-39.7178.6-73.7178.4-1.900114.2N482 K483N482-Q486 WeakPolarHBondContact O-CG 3.17Å; N482-Q486 PolarHBondContact O-N 2.86Å; K483-Q486 PolarHBondContact O-N 3.26Å
487Y86.5Confident86.7Confident189 Ų189104.3 Ų104.374%0.74156%0.56SS**Hα-helixtrans-99.8-25.2-173.3-69.9-70.7000114.5K483 M484 N485K483-Y487 HydrophobicContact CB-CD2 4.34Å; K483-Y487 WeakPolarHBondContact O-CD2 3.15Å; K483-Y487 PolarHBondContact O-N 3.34Å; M484-Y487 PolarHBondContact O-N 3.27Å; N485-Y487 PolarHBondContact O-N 3.4Å
488L81Confident86.3Confident118 Ų118105.9 Ų105.962%0.61856%0.564SS**Hα-helixtrans-115.8-8.5-175.8-56.7169.7000113M484 I490M484-L488 HydrophobicContact CB-CD1 4.34Å; M484-L488 HydrophobicContact CE-CD1 4.24Å; M484-L488 HydrophobicContact CG-CD1 4.22Å; M484-L488 WeakPolarHBondContact O-CA 3.4Å; M484-L488 WeakPolarHBondContact O-CB 3.29Å; M484-L488 PolarHBondContact O-N 3.4Å; L488-I490 HydrophobicContact CB-CD1 4.08Å; L488-I490 HydrophobicContact CB-CG1 4.06Å; L488-I490 HydrophobicContact CD1-CD1 4.28Å; L488-I490 PolarHBondContact O-N 2.83Å
489G71Confident85.7Confident66 Ų66109.5 Ų109.568%0.6858%0.576SS**  trans62.928.1179.400000113.9N485N485-G489 VanDerWaalsContact O-CA 3.31Å; N485-G489 WeakPolarHBondContact O-CA 3.36Å; N485-G489 PolarHBondContact O-N 3.09Å
490I57.9Low85Confident153 Ų153110.9 Ų110.979%0.78558%0.583SS**  trans-840173.9-59.6173.8000110.1M484 N485 L488M484-I490 HydrophobicContact CE-CD1 4.02Å; N485-I490 WeakPolarHBondContact CA-O 3.44Å; N485-I490 VanDerWaalsContact CB-O 3.28Å; N485-I490 WeakPolarHBondContact CB-O 3.32Å; N485-I490 PolarHBondContact OD1-O 3.13Å; L488-I490 HydrophobicContact CB-CD1 4.08Å; L488-I490 HydrophobicContact CB-CG1 4.06Å; L488-I490 HydrophobicContact CD1-CD1 4.28Å; L488-I490 PolarHBondContact O-N 2.83Å

Retrieved 490 of 490 residues in 1326.3 ms (Link to these results)

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