A0A077ZFP2_TRITR Loading...

Peptidase U32 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 612 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
1M95.7Very high96.6Very high44 Ų4420.1 Ų20.122%0.21711%0.113CC..  093.50-156.2168.4-73.200113L258 L261 M262 I266 A267 V269 I292 K296M1-L258 HydrophobicContact CE-CD1 4.22Å; M1-L258 HydrophobicContact SD-CD1 3.38Å; M1-L258 WeakPolarHBondContact SD-CD1 3.47Å; M1-L261 HydrophobicContact CE-CB 3.61Å; M1-M262 HydrophobicContact CE-CB 4.46Å; M1-M262 HydrophobicContact CE-CG 3.68Å; M1-M262 HydrophobicContact SD-CE 3.81Å; M1-M262 HydrophobicContact SD-CG 3.81Å; M1-I266 WeakPolarHBondContact CA-O 3.37Å; M1-I266 HydrophobicContact CE-CB 4.09Å; M1-I266 HydrophobicContact CE-CG2 4.44Å; M1-I266 PolarHBondContact N-O 3.14Å; M1-A267 CarbonylContact C-O 3.58Å; M1-A267 WeakPolarHBondContact CA-O 3.48Å; M1-A267 PolarHBondContact N-O 3.38Å; M1-V269 HydrophobicContact CE-CG1 3.92Å; M1-V269 HydrophobicContact CG-CG1 4.13Å; M1-V269 HydrophobicContact CG-CG2 4.08Å; M1-V269 HydrophobicContact SD-CG1 3.8Å; M1-V269 HydrophobicContact SD-CG2 4.21Å; M1-I292 HydrophobicContact SD-CG1 4.43Å; M1-K296 PolarHBondContact O-NZ 3.28Å
2E97.9Very high96.6Very high29 Ų2918.4 Ų18.414%0.13610%0.103CC..EExtended strand (participates in β ladder)trans-82.2151.5160.6175.3-159.497.800109.7D22 A23 H62 R137 A267 S268 V269E2-D22 HydrophobicContact CB-CB 4.37Å; E2-D22 HydrophobicContact CG-CB 3.69Å; E2-A23 HydrophobicContact CG-CB 4.09Å; E2-H62 IonicContact OE1-CE1 3.54Å; E2-H62 IonicContact OE2-CE1 3.58Å; E2-R137 IonicContact OE1-CZ 3.4Å; E2-R137 IonicContact OE1-NH1 2.71Å; E2-R137 PolarHBondContact OE1-NH1 2.88Å; E2-R137 IonicContact OE1-NH2 3.19Å; E2-R137 IonicContact OE2-CZ 3.89Å; E2-R137 IonicContact OE2-NH1 3.28Å; E2-R137 PolarHBondContact OE2-NH1 3.39Å; E2-R137 IonicContact OE2-NH2 2.76Å; E2-R137 PolarHBondContact OE2-NH2 2.65Å; E2-A267 PolarHBondContact N-O 2.94Å; E2-S268 WeakPolarHBondContact O-CA 3.39Å; E2-S268 PolarHBondContact O-OG 2.93Å; E2-S268 VanDerWaalsContact OE1-CB 3.31Å; E2-S268 WeakPolarHBondContact OE1-CB 3.46Å; E2-S268 PolarHBondContact OE1-OG 3.47Å; E2-V269 PolarHBondContact O-N 3.14Å
3L98.5Very high96.7Very high0 Ų017 Ų170%010%0.095CC..EExtended strand (participates in β ladder)trans-101114.8166.117657.8000110.5D22 A23 V269 I271 W288 R289 I292L3-D22 PolarHBondContact N-OD2 2.7Å; L3-D22 PolarHBondContact O-N 3.49Å; L3-A23 PolarHBondContact O-N 3.37Å; L3-A23 VanDerWaalsContact O-N 3.09Å; L3-V269 HydrophobicContact CD1-CG2 4.22Å; L3-I271 HydrophobicContact CD1-CD1 4.29Å; L3-I271 HydrophobicContact CD1-CG1 4.03Å; L3-W288 HydrophobicContact CD1-CB 3.81Å; L3-W288 HydrophobicContact CD2-CB 4.03Å; L3-R289 HydrophobicContact CD2-CB 4.18Å; L3-I292 HydrophobicContact CB-CD1 3.89Å; L3-I292 HydrophobicContact CD1-CD1 4.17Å; L3-I292 HydrophobicContact CD2-CD1 4.42Å; L3-I292 HydrophobicContact CG-CD1 4.38Å
4L98.5Very high96.8Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-105.1108-179.8-178.761.5000111.5A23 Y25 H62 E161 S268 V269 K270 I271L4-A23 WeakPolarHBondContact CA-O 3.49Å; L4-A23 HydrophobicContact CD1-CB 3.56Å; L4-Y25 HydrophobicContact CD1-CD1 4.27Å; L4-Y25 HydrophobicContact CD2-CD1 4.32Å; L4-Y25 HydrophobicContact CG-CD1 3.92Å; L4-H62 WeakPolarHBondContact CD1-ND1 3.43Å; L4-E161 VanDerWaalsContact CD2-OE1 3.29Å; L4-E161 WeakPolarHBondContact CD2-OE1 3.38Å; L4-S268 WeakPolarHBondContact CB-OG 3.37Å; L4-V269 PolarHBondContact N-O 3.12Å; L4-K270 HydrophobicContact CD2-CD 4.24Å; L4-K270 HydrophobicContact CD2-CG 4.01Å; L4-K270 HydrophobicContact CG-CG 4.25Å; L4-K270 WeakPolarHBondContact O-CA 3.3Å; L4-I271 PolarHBondContact O-N 3.11Å
5C98.2Very high96.8Very high1 Ų120.9 Ų20.91%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-101.8150.4-176.8-70.40000113.3A16 A21 A23 V24 Y25C5-A16 HydrophobicContact CB-CB 3.77Å; C5-A21 HydrophobicContact CB-CB 3.82Å; C5-A23 PolarHBondContact N-O 2.78Å; C5-V24 CarbonylContact O-C 3.29Å; C5-V24 VanDerWaalsContact O-CA 3.26Å; C5-V24 WeakPolarHBondContact O-CA 3.45Å; C5-Y25 WeakPolarHBondContact O-CD1 3.31Å; C5-Y25 PolarHBondContact O-N 2.84Å
6P96.6Very high96.9Very high1 Ų119.6 Ų19.61%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-84.8150.6178.834.1-35.7000111.6Y25 I271 R274 V281P6-Y25 HydrophobicContact CB-CD1 4.29Å; P6-Y25 HydrophobicContact CB-CE1 3.61Å; P6-Y25 HydrophobicContact CG-CE1 4.5Å; P6-I271 WeakPolarHBondContact CD-O 3.29Å; P6-I271 HydrophobicContact CG-CG2 4.35Å; P6-R274 HydrophobicContact CB-CB 4.47Å; P6-R274 HydrophobicContact CB-CG 3.81Å; P6-V281 HydrophobicContact CG-CG2 4.43Å
7A95.9Very high97Very high0 Ų019.1 Ų19.10%010%0.101CC..  trans-144.6132.616100000112.5A12 L13 V24 Y25 I26A7-A12 HydrophobicContact CB-CB 3.99Å; A7-L13 HydrophobicContact CB-CB 3.66Å; A7-V24 HydrophobicContact CB-CG1 3.82Å; A7-Y25 PolarHBondContact N-O 2.85Å; A7-I26 HydrophobicContact CB-CG2 4.1Å
8G93.8Very high97Very high1 Ų124.9 Ų24.91%0.0113%0.127CC..SBendtrans-97.9-1.2169.800000114.2L40 N41 R274G8-L40 CarbonylContact O-C 3.56Å; G8-N41 PolarHBondContact O-N 3.49Å; G8-R274 WeakPolarHBondContact CA-O 3.28Å; G8-R274 PolarHBondContact N-O 2.93Å; G8-R274 VanDerWaalsContact N-O 3.13Å
9N94.9Very high97Very high40 Ų4025.8 Ų25.821%0.21413%0.133CC..SBendtrans-162.6165.1178.955.168000111.1P11 A12 L13N9-P11 VanDerWaalsContact OD1-CD 3.3Å; N9-P11 WeakPolarHBondContact OD1-CD 3.45Å; N9-A12 PolarHBondContact O-N 3.38Å; N9-A12 WeakPolarHBondContact OD1-CB 3.21Å; N9-A12 PolarHBondContact OD1-N 2.93Å; N9-L13 PolarHBondContact O-N 3.4Å
10L95.9Very high97Very high26 Ų2625.1 Ų25.114%0.13613%0.132CC..Hα-helixtrans-56.9-45-179.8-77.8163.9000113.6A12 L13 K14 F42 K46 E49 A50L10-A12 PolarHBondContact O-N 2.79Å; L10-L13 PolarHBondContact O-N 3.1Å; L10-K14 WeakPolarHBondContact O-CG 3.47Å; L10-K14 PolarHBondContact O-N 2.86Å; L10-F42 HydrophobicContact CD2-CE1 3.89Å; L10-F42 HydrophobicContact CG-CE1 3.84Å; L10-K46 HydrophobicContact CD1-CB 4.18Å; L10-K46 HydrophobicContact CD1-CG 4.14Å; L10-E49 HydrophobicContact CD1-CB 4.16Å; L10-E49 VanDerWaalsContact CD1-OE2 3.26Å; L10-E49 WeakPolarHBondContact CD1-OE2 3.4Å; L10-E49 HydrophobicContact CD2-CB 4.25Å; L10-A50 HydrophobicContact CD2-CB 3.98Å
11P96.4Very high97.1Very high79 Ų7923.9 Ų23.951%0.51313%0.125SC..Hα-helixtrans-55.7-43.4173.6-29.636.1000114.5N9 K14 A15 P278N9-P11 VanDerWaalsContact OD1-CD 3.3Å; N9-P11 WeakPolarHBondContact OD1-CD 3.45Å; P11-K14 PolarHBondContact O-N 3.29Å; P11-A15 VanDerWaalsContact O-CB 3.29Å; P11-A15 WeakPolarHBondContact O-CB 3.28Å; P11-A15 PolarHBondContact O-N 3.4Å; P11-P278 HydrophobicContact CB-CB 4.48Å; P11-P278 HydrophobicContact CB-CG 3.86Å
12A96.5Very high97.2Very high0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-67-35.5176.400000112.5A7 N9 L10 A16 P278 V281A7-A12 HydrophobicContact CB-CB 3.99Å; N9-A12 PolarHBondContact O-N 3.38Å; N9-A12 WeakPolarHBondContact OD1-CB 3.21Å; N9-A12 PolarHBondContact OD1-N 2.93Å; L10-A12 PolarHBondContact O-N 2.79Å; A12-A16 PolarHBondContact O-N 2.82Å; A12-P278 HydrophobicContact CB-CB 4.45Å; A12-P278 HydrophobicContact CB-CG 4.19Å; A12-V281 HydrophobicContact CB-CG2 4.36Å
13L98Very high97.3Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-66.2-44.1175.1171.4149.3000111.7A7 N9 L10 A16 I17 V24 I26 F42 A50 F53 V54 L61A7-L13 HydrophobicContact CB-CB 3.66Å; N9-L13 PolarHBondContact O-N 3.4Å; L10-L13 PolarHBondContact O-N 3.1Å; L13-A16 PolarHBondContact O-N 3.3Å; L13-I17 VanDerWaalsContact O-CG1 3.32Å; L13-I17 WeakPolarHBondContact O-CG1 3.07Å; L13-I17 PolarHBondContact O-N 2.89Å; L13-V24 HydrophobicContact CB-CG1 4.39Å; L13-V24 HydrophobicContact CD1-CG1 4.19Å; L13-V24 HydrophobicContact CG-CG1 4.18Å; L13-I26 HydrophobicContact CD1-CG2 4.15Å; L13-F42 HydrophobicContact CB-CZ 4.37Å; L13-F42 HydrophobicContact CD1-CE1 4.32Å; L13-F42 HydrophobicContact CD1-CZ 4.21Å; L13-A50 HydrophobicContact CD1-CB 3.64Å; L13-F53 HydrophobicContact CD2-CD1 3.74Å; L13-F53 HydrophobicContact CD2-CE1 4.37Å; L13-F53 HydrophobicContact CD2-CG 4.46Å; L13-V54 HydrophobicContact CD1-CG2 3.99Å; L13-V54 HydrophobicContact CD2-CG2 3.93Å; L13-V54 HydrophobicContact CG-CG2 4.1Å; L13-L61 HydrophobicContact CD1-CD1 3.92Å
14K97.7Very high97.2Very high88 Ų8822 Ų2238%0.38312%0.117SC..Hα-helixtrans-62-49.5175.8-68-168.7176.1-172.70111L10 P11 A16 I17 E18 F53L10-K14 WeakPolarHBondContact O-CG 3.47Å; L10-K14 PolarHBondContact O-N 2.86Å; P11-K14 PolarHBondContact O-N 3.29Å; K14-A16 VanDerWaalsContact C-N 3.3Å; K14-A16 PolarHBondContact O-N 3.09Å; K14-I17 PolarHBondContact O-N 2.85Å; K14-I17 VanDerWaalsContact O-N 3.15Å; K14-E18 WeakPolarHBondContact O-CB 3.19Å; K14-E18 VanDerWaalsContact O-CG 3.23Å; K14-E18 WeakPolarHBondContact O-CG 2.95Å; K14-E18 PolarHBondContact O-N 2.95Å; K14-F53 HydrophobicContact CB-CE1 4.14Å; K14-F53 HydrophobicContact CB-CZ 4.02Å; K14-F53 HydrophobicContact CD-CD2 4.34Å; K14-F53 HydrophobicContact CD-CE2 3.89Å; K14-F53 HydrophobicContact CD-CZ 4.04Å; K14-F53 HydrophobicContact CG-CD1 4.12Å; K14-F53 HydrophobicContact CG-CD2 4.31Å; K14-F53 HydrophobicContact CG-CE1 3.73Å; K14-F53 HydrophobicContact CG-CE2 3.92Å; K14-F53 HydrophobicContact CG-CG 4.39Å; K14-F53 HydrophobicContact CG-CZ 3.61Å
15A97.4Very high97.2Very high5 Ų522.7 Ų22.74%0.04112%0.12CC..Hα-helixtrans-51.2-44.1174.200000113.5P11 N19 P278 S282P11-A15 VanDerWaalsContact O-CB 3.29Å; P11-A15 WeakPolarHBondContact O-CB 3.28Å; P11-A15 PolarHBondContact O-N 3.4Å; A15-N19 WeakPolarHBondContact O-CB 3.32Å; A15-N19 PolarHBondContact O-N 2.93Å; A15-N19 VanDerWaalsContact O-N 3.09Å; A15-N19 PolarHBondContact O-ND2 3.03Å; A15-P278 HydrophobicContact CB-CB 4.23Å; A15-S282 VanDerWaalsContact CB-OG 3.32Å; A15-S282 WeakPolarHBondContact CB-OG 3.36Å
16A98Very high97.2Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-61.8-50.8176.800000112.5C5 A12 L13 K14 N19 G20 A21 V24 V281C5-A16 HydrophobicContact CB-CB 3.77Å; A12-A16 PolarHBondContact O-N 2.82Å; L13-A16 PolarHBondContact O-N 3.3Å; K14-A16 VanDerWaalsContact C-N 3.3Å; K14-A16 PolarHBondContact O-N 3.09Å; A16-N19 CarbonylContact O-C 3.6Å; A16-N19 PolarHBondContact O-N 2.76Å; A16-G20 PolarHBondContact O-N 3.29Å; A16-A21 HydrophobicContact CB-CB 4Å; A16-A21 WeakPolarHBondContact O-CB 3.28Å; A16-A21 PolarHBondContact O-N 3.01Å; A16-V24 HydrophobicContact CB-CG2 3.66Å; A16-V281 HydrophobicContact CB-CG1 3.65Å
17I98.3Very high97.1Very high10 Ų1022.6 Ų22.65%0.05112%0.119CC..Hα-helixtrans-63.3-46.5-178.7-63.3-70.6000110.9L13 K14 N19 G20 V24 F53 V54 H57 R59L13-I17 VanDerWaalsContact O-CG1 3.32Å; L13-I17 WeakPolarHBondContact O-CG1 3.07Å; L13-I17 PolarHBondContact O-N 2.89Å; K14-I17 PolarHBondContact O-N 2.85Å; K14-I17 VanDerWaalsContact O-N 3.15Å; I17-N19 VanDerWaalsContact C-N 3.25Å; I17-N19 PolarHBondContact O-N 3.48Å; I17-G20 PolarHBondContact O-N 3.44Å; I17-V24 HydrophobicContact CD1-CG2 3.67Å; I17-V24 HydrophobicContact CG1-CG2 3.94Å; I17-F53 HydrophobicContact CB-CE1 4Å; I17-F53 HydrophobicContact CG1-CE1 4.21Å; I17-F53 HydrophobicContact CG2-CE1 3.96Å; I17-V54 HydrophobicContact CD1-CG1 4.37Å; I17-V54 HydrophobicContact CD1-CG2 4.07Å; I17-V54 HydrophobicContact CG1-CG2 4.24Å; I17-H57 HydrophobicContact CG2-CB 3.56Å; I17-R59 HydrophobicContact CD1-CB 3.55Å; I17-R59 HydrophobicContact CD1-CG 3.68Å; I17-R59 HydrophobicContact CG2-CG 4.3Å
18E97.6Very high97.1Very high124 Ų12422.6 Ų22.658%0.57912%0.119SC*.Hα-helixtrans-63.7-28.9179.3-70.4162.3-171.200112.5K14K14-E18 WeakPolarHBondContact O-CB 3.19Å; K14-E18 VanDerWaalsContact O-CG 3.23Å; K14-E18 WeakPolarHBondContact O-CG 2.95Å; K14-E18 PolarHBondContact O-N 2.95Å
19N97.7Very high97Very high42 Ų4228.7 Ų28.723%0.22515%0.145CC..THydrogen-bonded Turntrans-96.713.7175.2-69.9-90000113.7A15 A16 I17 S282 A285 K286A15-N19 WeakPolarHBondContact O-CB 3.32Å; A15-N19 PolarHBondContact O-N 2.93Å; A15-N19 VanDerWaalsContact O-N 3.09Å; A15-N19 PolarHBondContact O-ND2 3.03Å; A16-N19 CarbonylContact O-C 3.6Å; A16-N19 PolarHBondContact O-N 2.76Å; I17-N19 VanDerWaalsContact C-N 3.25Å; I17-N19 PolarHBondContact O-N 3.48Å; N19-S282 WeakPolarHBondContact CB-O 3.4Å; N19-S282 PolarHBondContact ND2-OG 3.12Å; N19-A285 HydrophobicContact CB-CB 3.97Å; N19-K286 HydrophobicContact CB-CB 4.08Å
20G97.1Very high96.7Very high11 Ų1128.6 Ų28.611%0.11315%0.145CC..THydrogen-bonded Turntrans95.916.5165.200000116.7A16 I17 D22 R289A16-G20 PolarHBondContact O-N 3.29Å; I17-G20 PolarHBondContact O-N 3.44Å; G20-D22 PolarHBondContact O-N 2.92Å; G20-R289 WeakPolarHBondContact O-CD 3.31Å; G20-R289 PolarHBondContact O-NH1 2.78Å
21A98.2Very high96.4Very high0 Ų028.5 Ų28.50%015%0.145CC..  trans-54.7131.9167.300000110.5C5 A16 V24C5-A21 HydrophobicContact CB-CB 3.82Å; A16-A21 HydrophobicContact CB-CB 4Å; A16-A21 WeakPolarHBondContact O-CB 3.28Å; A16-A21 PolarHBondContact O-N 3.01Å; A21-V24 HydrophobicContact CB-CG2 4.13Å
22D98.6Very high96.3Very high35 Ų3524.8 Ų24.819%0.18712%0.12CC..SBendtrans-79.6-31.1175-64.3-51.1000110.5E2 L3 G20 R59 K60 R289E2-D22 HydrophobicContact CB-CB 4.37Å; E2-D22 HydrophobicContact CG-CB 3.69Å; L3-D22 PolarHBondContact N-OD2 2.7Å; L3-D22 PolarHBondContact O-N 3.49Å; G20-D22 PolarHBondContact O-N 2.92Å; D22-R59 WeakPolarHBondContact O-CB 3.47Å; D22-R59 IonicContact OD1-CZ 3.44Å; D22-R59 IonicContact OD1-NH1 2.71Å; D22-R59 PolarHBondContact OD1-NH1 2.93Å; D22-R59 IonicContact OD1-NH2 3.52Å; D22-K60 PolarHBondContact O-N 3.27Å; D22-R289 IonicContact OD1-NH1 2.76Å; D22-R289 PolarHBondContact OD1-NH1 2.79Å; D22-R289 IonicContact OD2-CZ 3.59Å; D22-R289 IonicContact OD2-NH1 3.53Å; D22-R289 PolarHBondContact OD2-NH1 2.91Å
23A98.5Very high96.1Very high0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-142155.517400000110.9E2 L3 L4 C5 K60E2-A23 HydrophobicContact CG-CB 4.09Å; L3-A23 PolarHBondContact O-N 3.37Å; L3-A23 VanDerWaalsContact O-N 3.09Å; L4-A23 WeakPolarHBondContact CA-O 3.49Å; L4-A23 HydrophobicContact CD1-CB 3.56Å; C5-A23 PolarHBondContact N-O 2.78Å; A23-K60 CarbonylContact C-O 3.57Å; A23-K60 VanDerWaalsContact CA-O 3.26Å; A23-K60 WeakPolarHBondContact CA-O 3.3Å; A23-K60 HydrophobicContact CB-CB 3.87Å
24V98.3Very high95.4Very high0 Ų024.8 Ų24.80%012%0.121CC..EExtended strand (participates in β ladder)trans-124.1136.4173.7175.90000110C5 A7 L13 A16 I17 A21 I26 K60 H62C5-V24 CarbonylContact O-C 3.29Å; C5-V24 VanDerWaalsContact O-CA 3.26Å; C5-V24 WeakPolarHBondContact O-CA 3.45Å; A7-V24 HydrophobicContact CB-CG1 3.82Å; L13-V24 HydrophobicContact CB-CG1 4.39Å; L13-V24 HydrophobicContact CD1-CG1 4.19Å; L13-V24 HydrophobicContact CG-CG1 4.18Å; A16-V24 HydrophobicContact CB-CG2 3.66Å; I17-V24 HydrophobicContact CD1-CG2 3.67Å; I17-V24 HydrophobicContact CG1-CG2 3.94Å; A21-V24 HydrophobicContact CB-CG2 4.13Å; V24-I26 HydrophobicContact CG1-CG2 4.15Å; V24-K60 PolarHBondContact N-O 3.45Å; V24-H62 PolarHBondContact O-N 2.93Å
25Y98.1Very high94.7Very high14 Ų1422.7 Ų22.76%0.05511%0.11CC..EExtended strand (participates in β ladder)trans-109.8135.2171.782.7-76000113.7L4 C5 P6 A7 H62 I93 K270 I271 R274L4-Y25 HydrophobicContact CD1-CD1 4.27Å; L4-Y25 HydrophobicContact CD2-CD1 4.32Å; L4-Y25 HydrophobicContact CG-CD1 3.92Å; C5-Y25 WeakPolarHBondContact O-CD1 3.31Å; C5-Y25 PolarHBondContact O-N 2.84Å; P6-Y25 HydrophobicContact CB-CD1 4.29Å; P6-Y25 HydrophobicContact CB-CE1 3.61Å; P6-Y25 HydrophobicContact CG-CE1 4.5Å; A7-Y25 PolarHBondContact N-O 2.85Å; Y25-H62 VanDerWaalsContact CA-O 3.24Å; Y25-H62 WeakPolarHBondContact CA-O 3.29Å; Y25-I93 HydrophobicContact CD2-CD1 4.41Å; Y25-I93 HydrophobicContact CG-CD1 4.38Å; Y25-K270 HydrophobicContact CD1-CG 4.36Å; Y25-K270 HydrophobicContact CE1-CD 4.21Å; Y25-K270 HydrophobicContact CE1-CG 3.85Å; Y25-I271 WeakPolarHBondContact CE1-O 3.44Å; Y25-I271 PolarHBondContact OH-O 2.87Å; Y25-R274 HydrophobicContact CD2-CG 4.31Å; Y25-R274 HydrophobicContact CE2-CG 3.79Å
26I97Very high93.8Very high0 Ų025.7 Ų25.70%012%0.123CC..EExtended strand (participates in β ladder)trans-124.6178.4-175.963.6167.4000112A7 L13 V24 F42 L47 L61 H62 I63 A64 R274A7-I26 HydrophobicContact CB-CG2 4.1Å; L13-I26 HydrophobicContact CD1-CG2 4.15Å; V24-I26 HydrophobicContact CG1-CG2 4.15Å; I26-F42 HydrophobicContact CB-CD2 3.77Å; I26-F42 HydrophobicContact CB-CE2 3.67Å; I26-F42 HydrophobicContact CB-CZ 4.39Å; I26-F42 HydrophobicContact CD1-CB 4.25Å; I26-F42 HydrophobicContact CD1-CD1 4.18Å; I26-F42 HydrophobicContact CD1-CD2 3.89Å; I26-F42 HydrophobicContact CD1-CE2 4.28Å; I26-F42 HydrophobicContact CD1-CG 3.85Å; I26-F42 HydrophobicContact CG1-CD2 4.38Å; I26-F42 HydrophobicContact CG2-CD2 4.09Å; I26-F42 HydrophobicContact CG2-CE2 3.48Å; I26-F42 VanDerWaalsContact CG2-CE2 3.48Å; I26-F42 HydrophobicContact CG2-CZ 3.78Å; I26-L47 HydrophobicContact CD1-CD1 3.96Å; I26-L61 HydrophobicContact CD1-CD1 4.02Å; I26-L61 HydrophobicContact CD1-CD2 4.06Å; I26-L61 HydrophobicContact CD1-CG 4.37Å; I26-L61 HydrophobicContact CG1-CD1 4.06Å; I26-L61 HydrophobicContact CG2-CD1 4.02Å; I26-H62 PolarHBondContact N-O 3.49Å; I26-I63 HydrophobicContact CD1-CD1 4.43Å; I26-I63 HydrophobicContact CD1-CG1 4.26Å; I26-I63 HydrophobicContact CG1-CG1 4.02Å; I26-A64 PolarHBondContact O-N 3.48Å; I26-A64 VanDerWaalsContact O-N 3.15Å; I26-R274 PolarHBondContact O-NH1 2.88Å
27G95.2Very high92.8Very high0 Ų028.2 Ų28.20%014%0.135CC..  trans-130.5156.4170.900000111.2N41 F42 R274G27-N41 VanDerWaalsContact O-CB 3.31Å; G27-N41 WeakPolarHBondContact O-CB 3.43Å; G27-F42 PolarHBondContact O-N 3.48Å; G27-R274 VanDerWaalsContact CA-NH1 3.27Å
28L94.9Very high91.7Very high0 Ų032.8 Ų32.80%017%0.173CC..BIsolated β-bridgetrans-83.3157.3174.6-59.2177.7000110.6D30 N33 N41 L47 I63 I65 A80 M83L28-D30 WeakPolarHBondContact CB-OD1 3.26Å; L28-D30 WeakPolarHBondContact CB-OD2 3.39Å; L28-D30 PolarHBondContact O-N 3.21Å; L28-N33 PolarHBondContact O-ND2 2.93Å; L28-N41 WeakPolarHBondContact O-CB 3.45Å; L28-N41 PolarHBondContact O-ND2 3Å; L28-L47 HydrophobicContact CD2-CD2 4.01Å; L28-I63 HydrophobicContact CD2-CG2 4.13Å; L28-I63 HydrophobicContact CG-CG2 4.11Å; L28-I65 HydrophobicContact CD1-CG1 4.38Å; L28-A80 HydrophobicContact CD1-CB 3.5Å; L28-A80 VanDerWaalsContact CD1-CB 3.5Å; L28-M83 HydrophobicContact CD1-CE 3.61Å; L28-M83 HydrophobicContact CD2-CE 3.69Å; L28-M83 HydrophobicContact CG-CE 4.16Å
29K92.1Very high90.9Very high128 Ų12830.3 Ų30.356%0.55718%0.181SC*.SBendtrans-84.653-175.8-158.2-161.5173.6-159.70112.2N41 F42 T43K29-N41 HydrophobicContact CB-CB 4.3Å; K29-F42 PolarHBondContact N-O 2.92Å; K29-T43 HydrophobicContact CB-CG2 4.16Å; K29-T43 HydrophobicContact CD-CG2 3.91Å
30D89.8Confident90.3Very high38 Ų3829.7 Ų29.720%0.20318%0.178CC..SBendtrans-153.9179.7-177.651.243.1000109.7L28 T32 N33 H36L28-D30 WeakPolarHBondContact CB-OD1 3.26Å; L28-D30 WeakPolarHBondContact CB-OD2 3.39Å; L28-D30 PolarHBondContact O-N 3.21Å; D30-T32 PolarHBondContact O-N 3.41Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.25Å; D30-T32 PolarHBondContact OD1-N 2.97Å; D30-T32 VanDerWaalsContact OD1-N 3.1Å; D30-T32 PolarHBondContact OD1-OG1 3.19Å; D30-N33 PolarHBondContact O-ND2 3.32Å; D30-N33 VanDerWaalsContact O-ND2 3.15Å; D30-H36 VanDerWaalsContact C-CD2 3.45Å; D30-H36 WeakPolarHBondContact O-CB 3.33Å; D30-H36 PolarHBondContact O-CD2 2.96Å
31D88.9Confident90Very high25 Ų2529.4 Ų29.413%0.13417%0.174CC..SBendtrans-78.56179.251.2-8.6000114.3N33 T67 R76D31-N33 PolarHBondContact O-N 3.01Å; D31-T67 WeakPolarHBondContact O-CG2 3.19Å; D31-T67 PolarHBondContact O-OG1 2.93Å; D31-R76 WeakPolarHBondContact OD1-CD 3.46Å; D31-R76 IonicContact OD1-CZ 3.25Å; D31-R76 IonicContact OD1-NE 3.41Å; D31-R76 IonicContact OD1-NH1 3.16Å; D31-R76 PolarHBondContact OD1-NH1 3.23Å; D31-R76 IonicContact OD2-CZ 3Å; D31-R76 IonicContact OD2-NH1 2.76Å; D31-R76 PolarHBondContact OD2-NH1 2.98Å
32T94.1Very high89.9Confident0 Ų029.5 Ų29.50%017%0.174CC..SBendtrans-75.87.3179.981.90000113.6D30 I65 N66 T67 R76 W77 A80D30-T32 PolarHBondContact O-N 3.41Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.25Å; D30-T32 PolarHBondContact OD1-N 2.97Å; D30-T32 VanDerWaalsContact OD1-N 3.1Å; D30-T32 PolarHBondContact OD1-OG1 3.19Å; T32-I65 CarbonylContact O-C 3.56Å; T32-I65 WeakPolarHBondContact O-CA 3.45Å; T32-N66 PolarHBondContact O-N 3.11Å; T32-T67 WeakPolarHBondContact CA-OG1 3.32Å; T32-T67 PolarHBondContact O-N 3.12Å; T32-T67 PolarHBondContact O-OG1 3.49Å; T32-R76 HydrophobicContact CG2-CG 4.22Å; T32-W77 HydrophobicContact CG2-CD2 3.99Å; T32-W77 HydrophobicContact CG2-CG 4.02Å; T32-A80 HydrophobicContact CG2-CB 3.9Å
33N92.5Very high89.7Confident0 Ų030.8 Ų30.80%018%0.183CC..SBendtrans-147.4143.7-176.474101.3000114.5L28 D30 D31 R35 H36 N41 A64 N66 T67 R274L28-N33 PolarHBondContact O-ND2 2.93Å; D30-N33 PolarHBondContact O-ND2 3.32Å; D30-N33 VanDerWaalsContact O-ND2 3.15Å; D31-N33 PolarHBondContact O-N 3.01Å; N33-R35 PolarHBondContact O-N 3.22Å; N33-H36 PolarHBondContact O-N 2.97Å; N33-N41 PolarHBondContact OD1-ND2 3.26Å; N33-A64 WeakPolarHBondContact CB-O 3.42Å; N33-N66 VanDerWaalsContact CA-OD1 3.32Å; N33-N66 WeakPolarHBondContact CA-OD1 3.45Å; N33-N66 WeakPolarHBondContact CB-OD1 3.45Å; N33-T67 PolarHBondContact N-OG1 3.44Å; N33-R274 PolarHBondContact OD1-NH1 3.48Å; N33-R274 PolarHBondContact OD1-NH2 3.02Å
34A84.4Confident89.5Confident1 Ų136.9 Ų36.91%0.00821%0.212CC..THydrogen-bonded Turntrans-75.327.5-169.500000115.6N66 Q117 P187 G191A34-N66 PolarHBondContact N-OD1 3.3Å; A34-Q117 HydrophobicContact CB-CG 4.31Å; A34-P187 WeakPolarHBondContact CB-O 3.21Å; A34-G191 CarbonylContact C-O 3.57Å
35R81.6Confident89.4Confident44 Ų4443.9 Ų43.917%0.16624%0.242CC..THydrogen-bonded Turntrans-146.242.6171.5-65.1-66.3179.7-105.411.5110.4N33 F37 N41 G191 E272N33-R35 PolarHBondContact O-N 3.22Å; R35-F37 HydrophobicContact CB-CD2 4.32Å; R35-F37 HydrophobicContact CB-CE2 4.19Å; R35-F37 WeakPolarHBondContact O-CD2 3.39Å; R35-F37 PolarHBondContact O-N 3.44Å; R35-F37 VanDerWaalsContact O-N 3.09Å; R35-N41 PolarHBondContact O-ND2 3Å; R35-G191 WeakPolarHBondContact CA-O 3.22Å; R35-G191 PolarHBondContact N-O 2.88Å; R35-E272 IonicContact CZ-OE1 3.72Å; R35-E272 VanDerWaalsContact CZ-OE1 3.28Å; R35-E272 IonicContact NE-OE1 2.79Å; R35-E272 PolarHBondContact NE-OE1 2.84Å; R35-E272 IonicContact NH2-OE1 2.58Å; R35-E272 PolarHBondContact NH2-OE1 3.3Å
36H78.6Confident89.3Confident68 Ų6847.5 Ų47.532%0.31526%0.258SS..  trans-77.193.2179178.6-142.3000110.5D30 N33 G191D30-H36 VanDerWaalsContact C-CD2 3.45Å; D30-H36 WeakPolarHBondContact O-CB 3.33Å; D30-H36 PolarHBondContact O-CD2 2.96Å; N33-H36 PolarHBondContact O-N 2.97Å; H36-G191 PolarHBondContact N-O 3.34Å
37F77.2Confident89.2Confident53 Ų5347.5 Ų47.523%0.23226%0.258CS..  trans-120.2147.4177-61.9-80.8000111.7R35 L40 A192 Q275R35-F37 HydrophobicContact CB-CD2 4.32Å; R35-F37 HydrophobicContact CB-CE2 4.19Å; R35-F37 WeakPolarHBondContact O-CD2 3.39Å; R35-F37 PolarHBondContact O-N 3.44Å; R35-F37 VanDerWaalsContact O-N 3.09Å; F37-L40 HydrophobicContact CB-CD1 4.06Å; F37-L40 HydrophobicContact CB-CG 4.44Å; F37-L40 HydrophobicContact CD2-CD1 4.35Å; F37-L40 PolarHBondContact O-N 3.06Å; F37-A192 HydrophobicContact CE1-CB 4.15Å; F37-A192 HydrophobicContact CZ-CB 4.38Å; F37-Q275 HydrophobicContact CD2-CB 4.48Å
38A75.4Confident89.3Confident105 Ų10553 Ų5387%0.86828%0.284SS*.THydrogen-bonded Turntrans-57.6140.2175.700000111.9L40A38-L40 PolarHBondContact O-N 2.64Å
39G80Confident89.4Confident72 Ų7257.1 Ų57.174%0.74230%0.303SS*.THydrogen-bonded Turntrans80.4-17.1-179.500000115.7
40L85.5Confident89.7Confident30 Ų3051 Ų5116%0.15728%0.277CS..  trans-93.4-177.9176.5-59.8-174.1000112.6G8 F37 A38 Q275G8-L40 CarbonylContact O-C 3.56Å; F37-L40 HydrophobicContact CB-CD1 4.06Å; F37-L40 HydrophobicContact CB-CG 4.44Å; F37-L40 HydrophobicContact CD2-CD1 4.35Å; F37-L40 PolarHBondContact O-N 3.06Å; A38-L40 PolarHBondContact O-N 2.64Å; L40-Q275 HydrophobicContact CD1-CB 3.88Å
41N92.1Very high90Very high4 Ų449.7 Ų49.72%0.02127%0.27CS..SBendtrans65.8171.3172.2-67-11.9000115.4G8 G27 L28 K29 N33 R35G8-N41 PolarHBondContact O-N 3.49Å; G27-N41 VanDerWaalsContact O-CB 3.31Å; G27-N41 WeakPolarHBondContact O-CB 3.43Å; L28-N41 WeakPolarHBondContact O-CB 3.45Å; L28-N41 PolarHBondContact O-ND2 3Å; K29-N41 HydrophobicContact CB-CB 4.3Å; N33-N41 PolarHBondContact OD1-ND2 3.26Å; R35-N41 PolarHBondContact O-ND2 3Å
42F95.3Very high90.5Very high2 Ų251.3 Ų51.31%0.00928%0.283CS..BIsolated β-bridgetrans-106.1132.1-166-66.9-109.4000110.7L10 L13 I26 G27 K29 K46 L47 A50L10-F42 HydrophobicContact CD2-CE1 3.89Å; L10-F42 HydrophobicContact CG-CE1 3.84Å; L13-F42 HydrophobicContact CB-CZ 4.37Å; L13-F42 HydrophobicContact CD1-CE1 4.32Å; L13-F42 HydrophobicContact CD1-CZ 4.21Å; I26-F42 HydrophobicContact CB-CD2 3.77Å; I26-F42 HydrophobicContact CB-CE2 3.67Å; I26-F42 HydrophobicContact CB-CZ 4.39Å; I26-F42 HydrophobicContact CD1-CB 4.25Å; I26-F42 HydrophobicContact CD1-CD1 4.18Å; I26-F42 HydrophobicContact CD1-CD2 3.89Å; I26-F42 HydrophobicContact CD1-CE2 4.28Å; I26-F42 HydrophobicContact CD1-CG 3.85Å; I26-F42 HydrophobicContact CG1-CD2 4.38Å; I26-F42 HydrophobicContact CG2-CD2 4.09Å; I26-F42 HydrophobicContact CG2-CE2 3.48Å; I26-F42 VanDerWaalsContact CG2-CE2 3.48Å; I26-F42 HydrophobicContact CG2-CZ 3.78Å; G27-F42 PolarHBondContact O-N 3.48Å; K29-F42 PolarHBondContact N-O 2.92Å; F42-K46 HydrophobicContact CB-CB 4.35Å; F42-K46 HydrophobicContact CD1-CB 3.89Å; F42-L47 HydrophobicContact CB-CB 4.38Å; F42-A50 HydrophobicContact CD1-CB 4.12Å; F42-A50 HydrophobicContact CE1-CB 3.87Å
43T94.5Very high90.7Very high62 Ų6252.6 Ų52.638%0.3829%0.289SS..  trans-85.8160.2161.854.90000109.2K29 K45 K46 L47K29-T43 HydrophobicContact CB-CG2 4.16Å; K29-T43 HydrophobicContact CD-CG2 3.91Å; T43-K45 VanDerWaalsContact C-N 3.32Å; T43-K45 PolarHBondContact O-N 3.41Å; T43-K45 VanDerWaalsContact O-N 3.16Å; T43-K46 CarbonylContact O-C 3.07Å; T43-K46 WeakPolarHBondContact O-CA 3.39Å; T43-K46 WeakPolarHBondContact O-CB 3.4Å; T43-K46 PolarHBondContact O-N 2.94Å; T43-L47 PolarHBondContact O-N 3.38Å
44E94.3Very high90.9Very high128 Ų12852.6 Ų52.660%0.59829%0.289SS*.Hα-helixtrans-38.1-54.8177-167.5-170.716600113.8K46 L47 Q48 M83 L87E44-K46 PolarHBondContact O-N 3.48Å; E44-L47 WeakPolarHBondContact O-CB 3.39Å; E44-L47 PolarHBondContact O-N 2.86Å; E44-L47 VanDerWaalsContact O-N 3.14Å; E44-Q48 PolarHBondContact O-N 3.21Å; E44-M83 HydrophobicContact CB-SD 3.77Å; E44-M83 HydrophobicContact CG-CG 4.37Å; E44-M83 HydrophobicContact CG-SD 3.91Å; E44-L87 HydrophobicContact CG-CD1 3.87Å
45K95.3Very high91.6Very high148 Ų14856.3 Ų56.364%0.64331%0.306SS*.Hα-helixtrans-57.8-47175.9179.2177.6174.7178.80113.4T43 L47 Q48 E49T43-K45 VanDerWaalsContact C-N 3.32Å; T43-K45 PolarHBondContact O-N 3.41Å; T43-K45 VanDerWaalsContact O-N 3.16Å; K45-L47 VanDerWaalsContact C-N 3.25Å; K45-L47 PolarHBondContact O-N 2.86Å; K45-Q48 PolarHBondContact O-N 3.5Å; K45-E49 WeakPolarHBondContact CE-OE1 3.29Å; K45-E49 WeakPolarHBondContact O-CG 3.46Å; K45-E49 PolarHBondContact O-N 3.35Å
46K95.7Very high92.4Very high90 Ų9061.2 Ų61.239%0.39133%0.33SS..Hα-helixtrans-66.8-30178.5-70.4-175.2177.4-178.30111.8L10 F42 T43 E44 A50L10-K46 HydrophobicContact CD1-CB 4.18Å; L10-K46 HydrophobicContact CD1-CG 4.14Å; F42-K46 HydrophobicContact CB-CB 4.35Å; F42-K46 HydrophobicContact CD1-CB 3.89Å; T43-K46 CarbonylContact O-C 3.07Å; T43-K46 WeakPolarHBondContact O-CA 3.39Å; T43-K46 WeakPolarHBondContact O-CB 3.4Å; T43-K46 PolarHBondContact O-N 2.94Å; E44-K46 PolarHBondContact O-N 3.48Å; K46-A50 VanDerWaalsContact O-CB 3.31Å; K46-A50 WeakPolarHBondContact O-CB 3.23Å; K46-A50 PolarHBondContact O-N 3.2Å
47L95.9Very high93.3Very high0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-69.4-44.3174.3165.355.7000110.5I26 L28 F42 T43 E44 K45 E49 A50 V51 L61 I63 M83 L87I26-L47 HydrophobicContact CD1-CD1 3.96Å; L28-L47 HydrophobicContact CD2-CD2 4.01Å; F42-L47 HydrophobicContact CB-CB 4.38Å; T43-L47 PolarHBondContact O-N 3.38Å; E44-L47 WeakPolarHBondContact O-CB 3.39Å; E44-L47 PolarHBondContact O-N 2.86Å; E44-L47 VanDerWaalsContact O-N 3.14Å; K45-L47 VanDerWaalsContact C-N 3.25Å; K45-L47 PolarHBondContact O-N 2.86Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.14Å; L47-A50 WeakPolarHBondContact O-CA 3.34Å; L47-A50 WeakPolarHBondContact O-CB 3.34Å; L47-A50 PolarHBondContact O-N 3Å; L47-V51 HydrophobicContact CD1-CG2 3.83Å; L47-V51 WeakPolarHBondContact O-CG2 3.39Å; L47-V51 PolarHBondContact O-N 2.87Å; L47-L61 HydrophobicContact CD1-CD2 3.71Å; L47-I63 HydrophobicContact CD1-CD1 3.41Å; L47-I63 VanDerWaalsContact CD1-CD1 3.41Å; L47-I63 HydrophobicContact CD2-CD1 3.81Å; L47-I63 HydrophobicContact CG-CD1 4.28Å; L47-M83 HydrophobicContact CD2-CG 4.21Å; L47-L87 HydrophobicContact CB-CD1 4.32Å; L47-L87 HydrophobicContact CD2-CB 4.38Å; L47-L87 HydrophobicContact CD2-CD1 3.65Å; L47-L87 HydrophobicContact CG-CB 4.27Å; L47-L87 HydrophobicContact CG-CD1 3.75Å
48Q96.6Very high94.3Very high115 Ų11570.5 Ų70.554%0.53737%0.365SS..Hα-helixtrans-59.5-42172.4-166.3-178.335.100112.1E44 K45 A50 S52 L87E44-Q48 PolarHBondContact O-N 3.21Å; K45-Q48 PolarHBondContact O-N 3.5Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-A50 PolarHBondContact O-N 2.94Å; Q48-S52 WeakPolarHBondContact O-CB 3.37Å; Q48-S52 PolarHBondContact O-N 3.41Å; Q48-S52 VanDerWaalsContact O-N 3.11Å; Q48-S52 PolarHBondContact O-OG 3.07Å; Q48-L87 HydrophobicContact CB-CD2 4.44Å
49E97.5Very high95.4Very high86 Ų8669.2 Ų69.240%0.40234%0.338SS..Hα-helixtrans-61.5-38.2172-70.8173.6-144.900112.5L10 K45 L47 F53L10-E49 HydrophobicContact CD1-CB 4.16Å; L10-E49 VanDerWaalsContact CD1-OE2 3.26Å; L10-E49 WeakPolarHBondContact CD1-OE2 3.4Å; L10-E49 HydrophobicContact CD2-CB 4.25Å; K45-E49 WeakPolarHBondContact CE-OE1 3.29Å; K45-E49 WeakPolarHBondContact O-CG 3.46Å; K45-E49 PolarHBondContact O-N 3.35Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.14Å; E49-F53 WeakPolarHBondContact O-CB 3.29Å; E49-F53 PolarHBondContact O-N 2.79Å; E49-F53 VanDerWaalsContact O-N 3.16Å
50A97.8Very high96.3Very high0 Ų068.9 Ų68.90%032%0.316CS..Hα-helixtrans-67.9-51.2178.700000112.6L10 L13 F42 K46 L47 Q48 S52 F53 V54 L61L10-A50 HydrophobicContact CD2-CB 3.98Å; L13-A50 HydrophobicContact CD1-CB 3.64Å; F42-A50 HydrophobicContact CD1-CB 4.12Å; F42-A50 HydrophobicContact CE1-CB 3.87Å; K46-A50 VanDerWaalsContact O-CB 3.31Å; K46-A50 WeakPolarHBondContact O-CB 3.23Å; K46-A50 PolarHBondContact O-N 3.2Å; L47-A50 WeakPolarHBondContact O-CA 3.34Å; L47-A50 WeakPolarHBondContact O-CB 3.34Å; L47-A50 PolarHBondContact O-N 3Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-A50 PolarHBondContact O-N 2.94Å; A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 3Å; A50-F53 PolarHBondContact O-N 2.8Å; A50-V54 WeakPolarHBondContact O-CB 3.43Å; A50-V54 VanDerWaalsContact O-CG2 3.28Å; A50-V54 WeakPolarHBondContact O-CG2 3.43Å; A50-V54 PolarHBondContact O-N 2.74Å; A50-L61 HydrophobicContact CB-CD2 4.28Å
51V97.8Very high96.9Very high11 Ų1167.5 Ų67.57%0.06731%0.308CS..Hα-helixtrans-55.6-51.6176.4174.70000109.8L47 F53 V54 H55 L61 L87L47-V51 HydrophobicContact CD1-CG2 3.83Å; L47-V51 WeakPolarHBondContact O-CG2 3.39Å; L47-V51 PolarHBondContact O-N 2.87Å; V51-F53 VanDerWaalsContact C-N 3.29Å; V51-F53 PolarHBondContact O-N 2.94Å; V51-V54 PolarHBondContact O-N 2.75Å; V51-V54 VanDerWaalsContact O-N 3.16Å; V51-H55 WeakPolarHBondContact CG1-ND1 3.26Å; V51-H55 WeakPolarHBondContact O-CB 3.24Å; V51-H55 PolarHBondContact O-N 3.38Å; V51-L61 HydrophobicContact CB-CD2 4.41Å; V51-L61 HydrophobicContact CG2-CD2 3.44Å; V51-L61 VanDerWaalsContact CG2-CD2 3.44Å; V51-L87 WeakPolarHBondContact CG1-O 3.25Å; V51-L87 WeakPolarHBondContact CG2-O 3.39Å
52S97.7Very high97.2Very high58 Ų5867.3 Ų67.341%0.40631%0.307SS..Hα-helixtrans-52.7-46.7179.2-56.70000112.2Q48 A50 Q56Q48-S52 WeakPolarHBondContact O-CB 3.37Å; Q48-S52 PolarHBondContact O-N 3.41Å; Q48-S52 VanDerWaalsContact O-N 3.11Å; Q48-S52 PolarHBondContact O-OG 3.07Å; A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 3Å; S52-Q56 VanDerWaalsContact O-CB 3.32Å; S52-Q56 WeakPolarHBondContact O-CB 3.35Å; S52-Q56 WeakPolarHBondContact O-CG 3.42Å; S52-Q56 PolarHBondContact O-N 3.42Å; S52-Q56 VanDerWaalsContact O-N 3.14Å
53F98.3Very high97.3Very high27 Ų2767.2 Ų67.212%0.11831%0.307CS..Hα-helixtrans-68.9-44.2179.4-177.1-88.8000112.5L13 K14 I17 E49 A50 V51 Q56 H57L13-F53 HydrophobicContact CD2-CD1 3.74Å; L13-F53 HydrophobicContact CD2-CE1 4.37Å; L13-F53 HydrophobicContact CD2-CG 4.46Å; K14-F53 HydrophobicContact CB-CE1 4.14Å; K14-F53 HydrophobicContact CB-CZ 4.02Å; K14-F53 HydrophobicContact CD-CD2 4.34Å; K14-F53 HydrophobicContact CD-CE2 3.89Å; K14-F53 HydrophobicContact CD-CZ 4.04Å; K14-F53 HydrophobicContact CG-CD1 4.12Å; K14-F53 HydrophobicContact CG-CD2 4.31Å; K14-F53 HydrophobicContact CG-CE1 3.73Å; K14-F53 HydrophobicContact CG-CE2 3.92Å; K14-F53 HydrophobicContact CG-CG 4.39Å; K14-F53 HydrophobicContact CG-CZ 3.61Å; I17-F53 HydrophobicContact CB-CE1 4Å; I17-F53 HydrophobicContact CG1-CE1 4.21Å; I17-F53 HydrophobicContact CG2-CE1 3.96Å; E49-F53 WeakPolarHBondContact O-CB 3.29Å; E49-F53 PolarHBondContact O-N 2.79Å; E49-F53 VanDerWaalsContact O-N 3.16Å; A50-F53 PolarHBondContact O-N 2.8Å; V51-F53 VanDerWaalsContact C-N 3.29Å; V51-F53 PolarHBondContact O-N 2.94Å; F53-Q56 PolarHBondContact O-N 2.93Å; F53-H57 AromaticContact CD1-ND1 3.91Å; F53-H57 AromaticContact CD2-CE1 3.83Å; F53-H57 AromaticContact CE1-CE1 3.78Å; F53-H57 AromaticContact CE1-ND1 3.71Å; F53-H57 AromaticContact CE2-CE1 3.35Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.39Å; F53-H57 AromaticContact CE2-ND1 3.98Å; F53-H57 AromaticContact CZ-CE1 3.32Å; F53-H57 WeakPolarHBondContact CZ-CE1 3.28Å; F53-H57 AromaticContact CZ-ND1 3.76Å; F53-H57 AromaticContact CZ-NE2 3.92Å; F53-H57 PolarHBondContact O-N 3.42Å; F53-H57 PolarHBondContact O-ND1 2.96Å
54V98.3Very high97.5Very high0 Ų064.3 Ų64.30%029%0.289CS..Hα-helixtrans-66.6-43.6-176.5168.30000111.4L13 I17 A50 V51 H57 R58 R59 K60 L61L13-V54 HydrophobicContact CD1-CG2 3.99Å; L13-V54 HydrophobicContact CD2-CG2 3.93Å; L13-V54 HydrophobicContact CG-CG2 4.1Å; I17-V54 HydrophobicContact CD1-CG1 4.37Å; I17-V54 HydrophobicContact CD1-CG2 4.07Å; I17-V54 HydrophobicContact CG1-CG2 4.24Å; A50-V54 WeakPolarHBondContact O-CB 3.43Å; A50-V54 VanDerWaalsContact O-CG2 3.28Å; A50-V54 WeakPolarHBondContact O-CG2 3.43Å; A50-V54 PolarHBondContact O-N 2.74Å; V51-V54 PolarHBondContact O-N 2.75Å; V51-V54 VanDerWaalsContact O-N 3.16Å; V54-H57 CarbonylContact O-C 3.16Å; V54-H57 PolarHBondContact O-N 3.06Å; V54-R58 PolarHBondContact O-N 3.27Å; V54-R59 HydrophobicContact CG1-CB 4Å; V54-R59 VanDerWaalsContact CG1-O 3.28Å; V54-R59 WeakPolarHBondContact CG1-O 3.39Å; V54-R59 PolarHBondContact O-N 3.26Å; V54-K60 WeakPolarHBondContact CG1-O 3.39Å; V54-L61 HydrophobicContact CB-CB 4.46Å; V54-L61 HydrophobicContact CG1-CB 4.03Å; V54-L61 HydrophobicContact CG2-CD1 4.38Å
55H98.3Very high97.6Very high79 Ų7958.3 Ų58.337%0.36626%0.261SS..Hα-helixtrans-71.1-34.4177.1-67.9175.3000112.8V51 H57 R58 G88 D90V51-H55 WeakPolarHBondContact CG1-ND1 3.26Å; V51-H55 WeakPolarHBondContact O-CB 3.24Å; V51-H55 PolarHBondContact O-N 3.38Å; H55-H57 PolarHBondContact O-N 3.39Å; H55-R58 WeakPolarHBondContact O-CA 3.38Å; H55-R58 PolarHBondContact O-N 3.09Å; H55-G88 PolarHBondContact CE1-O 2.81Å; H55-G88 VanDerWaalsContact CE1-O 3.28Å; H55-D90 IonicContact CD2-OD2 3.89Å; H55-D90 IonicContact CE1-OD2 3.62Å; H55-D90 IonicContact NE2-OD1 2.71Å; H55-D90 IonicContact NE2-OD2 3.77Å; H55-D90 PolarHBondContact NE2-OD2 3.14Å
56Q97.9Very high97.6Very high147 Ų14751.7 Ų51.769%0.68723%0.233SC*.Hα-helixtrans-57.6-34.5170.2-79.6166.313.100112.3S52 F53 R58S52-Q56 VanDerWaalsContact O-CB 3.32Å; S52-Q56 WeakPolarHBondContact O-CB 3.35Å; S52-Q56 WeakPolarHBondContact O-CG 3.42Å; S52-Q56 PolarHBondContact O-N 3.42Å; S52-Q56 VanDerWaalsContact O-N 3.14Å; F53-Q56 PolarHBondContact O-N 2.93Å; Q56-R58 VanDerWaalsContact C-N 3.3Å
57H98.2Very high97.6Very high84 Ų8447.4 Ų47.439%0.38921%0.214SC..THydrogen-bonded Turntrans-87.86.6175.5-66.880.7000113.7I17 F53 V54 H55 R59I17-H57 HydrophobicContact CG2-CB 3.56Å; F53-H57 AromaticContact CD1-ND1 3.91Å; F53-H57 AromaticContact CD2-CE1 3.83Å; F53-H57 AromaticContact CE1-CE1 3.78Å; F53-H57 AromaticContact CE1-ND1 3.71Å; F53-H57 AromaticContact CE2-CE1 3.35Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.39Å; F53-H57 AromaticContact CE2-ND1 3.98Å; F53-H57 AromaticContact CZ-CE1 3.32Å; F53-H57 WeakPolarHBondContact CZ-CE1 3.28Å; F53-H57 AromaticContact CZ-ND1 3.76Å; F53-H57 AromaticContact CZ-NE2 3.92Å; F53-H57 PolarHBondContact O-N 3.42Å; F53-H57 PolarHBondContact O-ND1 2.96Å; V54-H57 CarbonylContact O-C 3.16Å; V54-H57 PolarHBondContact O-N 3.06Å; H55-H57 PolarHBondContact O-N 3.39Å; H57-R59 VanDerWaalsContact C-N 3.27Å; H57-R59 HydrophobicContact CB-CG 4.28Å; H57-R59 PolarHBondContact O-N 2.88Å
58R98.2Very high97.7Very high233 Ų23347.4 Ų47.488%0.87921%0.214SC*.THydrogen-bonded Turntrans56.835.5-178.9-53.1-179.7-178.2178.8-0.4113.7V54 H55 Q56V54-R58 PolarHBondContact O-N 3.27Å; H55-R58 WeakPolarHBondContact O-CA 3.38Å; H55-R58 PolarHBondContact O-N 3.09Å; Q56-R58 VanDerWaalsContact C-N 3.3Å
59R98.3Very high97.7Very high78 Ų7842 Ų4229%0.29419%0.189SC..  trans-110.2170.5176.6-57.5-46.5-170.7153.410.2110.5I17 D22 V54 H57I17-R59 HydrophobicContact CD1-CB 3.55Å; I17-R59 HydrophobicContact CD1-CG 3.68Å; I17-R59 HydrophobicContact CG2-CG 4.3Å; D22-R59 WeakPolarHBondContact O-CB 3.47Å; D22-R59 IonicContact OD1-CZ 3.44Å; D22-R59 IonicContact OD1-NH1 2.71Å; D22-R59 PolarHBondContact OD1-NH1 2.93Å; D22-R59 IonicContact OD1-NH2 3.52Å; V54-R59 HydrophobicContact CG1-CB 4Å; V54-R59 VanDerWaalsContact CG1-O 3.28Å; V54-R59 WeakPolarHBondContact CG1-O 3.39Å; V54-R59 PolarHBondContact O-N 3.26Å; H57-R59 VanDerWaalsContact C-N 3.27Å; H57-R59 HydrophobicContact CB-CG 4.28Å; H57-R59 PolarHBondContact O-N 2.88Å
60K98.5Very high97.7Very high65 Ų6538.9 Ų38.928%0.28317%0.174SC..EExtended strand (participates in β ladder)trans-99.3146.2177.5-69.4-169.7169.5-177.10113.4D22 A23 V24 V54 D90 E111D22-K60 PolarHBondContact O-N 3.27Å; A23-K60 CarbonylContact C-O 3.57Å; A23-K60 VanDerWaalsContact CA-O 3.26Å; A23-K60 WeakPolarHBondContact CA-O 3.3Å; A23-K60 HydrophobicContact CB-CB 3.87Å; V24-K60 PolarHBondContact N-O 3.45Å; V54-K60 WeakPolarHBondContact CG1-O 3.39Å; K60-D90 WeakPolarHBondContact CA-OD2 3.35Å; K60-D90 HydrophobicContact CB-CB 3.85Å; K60-D90 HydrophobicContact CD-CB 3.98Å; K60-D90 HydrophobicContact CG-CB 3.89Å; K60-E111 IonicContact NZ-OE1 3.24Å; K60-E111 PolarHBondContact NZ-OE1 3.04Å; K60-E111 IonicContact NZ-OE2 2.71Å
61L98.5Very high97.7Very high0 Ų039.7 Ų39.70%018%0.179CC..EExtended strand (participates in β ladder)trans-110.6118.7168.5-173.870.2000110.3L13 I26 L47 A50 V51 V54 I63 D90L13-L61 HydrophobicContact CD1-CD1 3.92Å; I26-L61 HydrophobicContact CD1-CD1 4.02Å; I26-L61 HydrophobicContact CD1-CD2 4.06Å; I26-L61 HydrophobicContact CD1-CG 4.37Å; I26-L61 HydrophobicContact CG1-CD1 4.06Å; I26-L61 HydrophobicContact CG2-CD1 4.02Å; L47-L61 HydrophobicContact CD1-CD2 3.71Å; A50-L61 HydrophobicContact CB-CD2 4.28Å; V51-L61 HydrophobicContact CB-CD2 4.41Å; V51-L61 HydrophobicContact CG2-CD2 3.44Å; V51-L61 VanDerWaalsContact CG2-CD2 3.44Å; V54-L61 HydrophobicContact CB-CB 4.46Å; V54-L61 HydrophobicContact CG1-CB 4.03Å; V54-L61 HydrophobicContact CG2-CD1 4.38Å; L61-I63 HydrophobicContact CD2-CD1 4.49Å; L61-I63 HydrophobicContact CG-CG1 4.48Å; L61-D90 PolarHBondContact N-OD2 3.39Å; L61-D90 PolarHBondContact O-N 3.21Å
62H98.6Very high97.5Very high0 Ų043.6 Ų43.60%020%0.2CC..EExtended strand (participates in β ladder)trans-103.2137.5173.7-53.1168.7000109.8E2 L4 V24 Y25 I26 A91 I93 H113E2-H62 IonicContact OE1-CE1 3.54Å; E2-H62 IonicContact OE2-CE1 3.58Å; L4-H62 WeakPolarHBondContact CD1-ND1 3.43Å; V24-H62 PolarHBondContact O-N 2.93Å; Y25-H62 VanDerWaalsContact CA-O 3.24Å; Y25-H62 WeakPolarHBondContact CA-O 3.29Å; I26-H62 PolarHBondContact N-O 3.49Å; H62-A91 CarbonylContact C-O 3.14Å; H62-A91 WeakPolarHBondContact CA-O 3.36Å; H62-A91 HydrophobicContact CB-CB 4.28Å; H62-I93 HydrophobicContact CB-CD1 3.69Å; H62-I93 HydrophobicContact CB-CG1 4.25Å; H62-H113 AromaticContact CE1-CE1 3.71Å; H62-H113 AromaticContact ND1-CE1 3.86Å; H62-H113 AromaticContact ND1-ND1 3.98Å
63I98.2Very high97.3Very high0 Ų041.4 Ų41.40%019%0.187CC..EExtended strand (participates in β ladder)trans-115.3120.2179.7-56.3-173.4000109.2I26 L28 L47 L61 I65 A84 A89 A91 L92 I93I26-I63 HydrophobicContact CD1-CD1 4.43Å; I26-I63 HydrophobicContact CD1-CG1 4.26Å; I26-I63 HydrophobicContact CG1-CG1 4.02Å; L28-I63 HydrophobicContact CD2-CG2 4.13Å; L28-I63 HydrophobicContact CG-CG2 4.11Å; L47-I63 HydrophobicContact CD1-CD1 3.41Å; L47-I63 VanDerWaalsContact CD1-CD1 3.41Å; L47-I63 HydrophobicContact CD2-CD1 3.81Å; L47-I63 HydrophobicContact CG-CD1 4.28Å; L61-I63 HydrophobicContact CD2-CD1 4.49Å; L61-I63 HydrophobicContact CG-CG1 4.48Å; I63-I65 HydrophobicContact CG2-CG1 4.19Å; I63-A84 HydrophobicContact CB-CB 4.16Å; I63-A84 HydrophobicContact CD1-CB 3.77Å; I63-A84 HydrophobicContact CG1-CB 4.49Å; I63-A84 HydrophobicContact CG2-CB 4.1Å; I63-A89 HydrophobicContact CB-CB 4.46Å; I63-A89 HydrophobicContact CD1-CB 3.69Å; I63-A89 HydrophobicContact CG1-CB 3.8Å; I63-A91 PolarHBondContact N-O 2.96Å; I63-L92 WeakPolarHBondContact O-CA 3.46Å; I63-I93 PolarHBondContact O-N 2.89Å
64A97.7Very high97.3Very high2 Ų241.4 Ų41.42%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-91.2116.2178.900000111.2I26 N33 N66 I93I26-A64 PolarHBondContact O-N 3.48Å; I26-A64 VanDerWaalsContact O-N 3.15Å; N33-A64 WeakPolarHBondContact CB-O 3.42Å; A64-N66 HydrophobicContact CB-CB 4.47Å; A64-I93 WeakPolarHBondContact CA-O 3.29Å; A64-I93 HydrophobicContact CB-CB 3.91Å; A64-I93 HydrophobicContact CB-CD1 4.29Å; A64-I93 HydrophobicContact CB-CG2 4.26Å
65I97.2Very high97.2Very high1 Ų143.4 Ų43.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-117.671.5175.5-53.6168.8000104.7L28 T32 I63 A80 V81 A84 L92 I93 L94L28-I65 HydrophobicContact CD1-CG1 4.38Å; T32-I65 CarbonylContact O-C 3.56Å; T32-I65 WeakPolarHBondContact O-CA 3.45Å; I63-I65 HydrophobicContact CG2-CG1 4.19Å; I65-A80 VanDerWaalsContact CD1-C 3.47Å; I65-A80 HydrophobicContact CD1-CB 3.99Å; I65-A80 WeakPolarHBondContact CD1-O 3.43Å; I65-A80 HydrophobicContact CG1-CB 4.32Å; I65-A80 HydrophobicContact CG2-CB 4.05Å; I65-V81 HydrophobicContact CD1-CB 4.39Å; I65-V81 HydrophobicContact CD1-CG2 3.81Å; I65-A84 HydrophobicContact CD1-CB 4.04Å; I65-L92 HydrophobicContact CD1-CD2 4.41Å; I65-I93 CarbonylContact C-O 3.22Å; I65-I93 PolarHBondContact N-O 2.75Å; I65-L94 HydrophobicContact CB-CD2 3.75Å; I65-L94 HydrophobicContact CD1-CD2 4.45Å; I65-L94 HydrophobicContact CG2-CD2 4.41Å
66N95.6Very high97.1Very high9 Ų944 Ų445%0.04820%0.202CC..  trans-122.222.1-158.274.2-44.1000115.5T32 N33 A34 A64 A95 S115 Q117T32-N66 PolarHBondContact O-N 3.11Å; N33-N66 VanDerWaalsContact CA-OD1 3.32Å; N33-N66 WeakPolarHBondContact CA-OD1 3.45Å; N33-N66 WeakPolarHBondContact CB-OD1 3.45Å; A34-N66 PolarHBondContact N-OD1 3.3Å; A64-N66 HydrophobicContact CB-CB 4.47Å; N66-A95 HydrophobicContact CB-CB 4.37Å; N66-S115 WeakPolarHBondContact CB-OG 3.37Å; N66-S115 PolarHBondContact ND2-OG 2.87Å; N66-Q117 PolarHBondContact ND2-OE1 3.2Å; N66-Q117 WeakPolarHBondContact O-CG 3.49Å
67T95.6Very high97.1Very high0 Ų037 Ų370%017%0.169CC..SBendtrans-92174.9152490000109.6D31 T32 N33 W77 N188D31-T67 WeakPolarHBondContact O-CG2 3.19Å; D31-T67 PolarHBondContact O-OG1 2.93Å; T32-T67 WeakPolarHBondContact CA-OG1 3.32Å; T32-T67 PolarHBondContact O-N 3.12Å; T32-T67 PolarHBondContact O-OG1 3.49Å; N33-T67 PolarHBondContact N-OG1 3.44Å; T67-W77 PolarHBondContact OG1-NE1 3.1Å; T67-N188 WeakPolarHBondContact CB-O 3.38Å
68F97.1Very high97.1Very high1 Ų135.2 Ų35.20%0.00416%0.161CC..PPolyproline II helixtrans-94.7144.8176.7-50.4-78.6000110.9H70 W77 A95 D96 Q117 N188 N437 Y439F68-H70 PolarHBondContact O-CD2 2.98Å; F68-H70 PolarHBondContact O-N 2.81Å; F68-W77 WeakPolarHBondContact O-CZ2 3.43Å; F68-A95 HydrophobicContact CD1-CB 4.43Å; F68-A95 HydrophobicContact CE1-CB 3.84Å; F68-A95 HydrophobicContact CZ-CB 4.28Å; F68-D96 HydrophobicContact CD1-CB 3.94Å; F68-Q117 HydrophobicContact CZ-CB 4.38Å; F68-Q117 WeakPolarHBondContact CZ-O 3.02Å; F68-N188 HydrophobicContact CD2-CB 3.87Å; F68-N188 HydrophobicContact CE2-CB 3.88Å; F68-N188 PolarHBondContact N-O 2.74Å; F68-N437 HydrophobicContact CD1-CB 4.23Å; F68-N437 HydrophobicContact CE1-CB 3.55Å; F68-N437 HydrophobicContact CE2-CB 4.33Å; F68-N437 HydrophobicContact CZ-CB 3.61Å; F68-Y439 HydrophobicContact CB-CD1 4.27Å; F68-Y439 HydrophobicContact CB-CD2 3.53Å; F68-Y439 HydrophobicContact CB-CE2 4.25Å; F68-Y439 HydrophobicContact CB-CG 3.55Å; F68-Y439 HydrophobicContact CD1-CD2 4.03Å; F68-Y439 HydrophobicContact CD1-CE2 4.39Å; F68-Y439 AromaticContact CD2-CD2 3.53Å; F68-Y439 HydrophobicContact CD2-CD2 3.53Å; F68-Y439 HydrophobicContact CD2-CE1 4.38Å; F68-Y439 AromaticContact CD2-CE2 3.33Å; F68-Y439 HydrophobicContact CD2-CE2 3.33Å; F68-Y439 HydrophobicContact CD2-CG 4.17Å; F68-Y439 AromaticContact CD2-CZ 3.81Å; F68-Y439 HydrophobicContact CE2-CD2 4.26Å; F68-Y439 AromaticContact CE2-CE2 3.7Å; F68-Y439 HydrophobicContact CE2-CE2 3.7Å; F68-Y439 AromaticContact CG-CD2 3.39Å; F68-Y439 HydrophobicContact CG-CD2 3.39Å; F68-Y439 AromaticContact CG-CE2 3.72Å; F68-Y439 HydrophobicContact CG-CE2 3.72Å; F68-Y439 AromaticContact CG-CG 3.97Å; F68-Y439 HydrophobicContact CG-CG 3.97Å; F68-Y439 HydrophobicContact CZ-CE2 4.38Å
69A97.3Very high97.1Very high0 Ų031.1 Ų31.10%015%0.146CC..PPolyproline II helixtrans-73.6127.4-174.900000111.4Y74 W77 D96 M99 N440A69-Y74 HydrophobicContact CB-CD2 3.62Å; A69-Y74 HydrophobicContact CB-CE2 3.88Å; A69-W77 HydrophobicContact CB-CB 3.83Å; A69-W77 HydrophobicContact CB-CD2 3.82Å; A69-W77 HydrophobicContact CB-CE3 4.08Å; A69-W77 HydrophobicContact CB-CG 3.68Å; A69-D96 WeakPolarHBondContact CB-OD2 3.45Å; A69-D96 PolarHBondContact N-OD2 3.34Å; A69-M99 HydrophobicContact CB-CE 4.08Å; A69-N440 WeakPolarHBondContact O-CB 3.42Å; A69-N440 PolarHBondContact O-ND2 3.28Å
70H96.6Very high97.1Very high22 Ų2227.5 Ų27.510%0.10213%0.133CC..PPolyproline II helixtrans-73.3145.5178.3-61.3-166000110.6F68 D72 G73 Y74 W77 T189 W465F68-H70 PolarHBondContact O-CD2 2.98Å; F68-H70 PolarHBondContact O-N 2.81Å; H70-D72 WeakPolarHBondContact CB-OD1 3.38Å; H70-G73 CarbonylContact O-C 3.54Å; H70-G73 PolarHBondContact O-N 3.03Å; H70-Y74 WeakPolarHBondContact O-CA 3.21Å; H70-Y74 WeakPolarHBondContact O-CB 3.41Å; H70-Y74 PolarHBondContact O-N 3.05Å; H70-W77 HydrophobicContact CB-CH2 4.07Å; H70-W77 HydrophobicContact CB-CZ3 3.95Å; H70-W77 AromaticContact CD2-CH2 3.29Å; H70-W77 WeakPolarHBondContact CD2-CH2 3.47Å; H70-W77 AromaticContact CD2-CZ2 3.7Å; H70-W77 AromaticContact CG-CH2 3.5Å; H70-W77 VanDerWaalsContact CG-CH2 3.5Å; H70-W77 AromaticContact CG-CZ3 3.9Å; H70-W77 AromaticContact ND1-CH2 3.94Å; H70-W77 AromaticContact NE2-CH2 3.67Å; H70-W77 AromaticContact NE2-CZ2 3.96Å; H70-T189 PolarHBondContact CE1-O 3.46Å; H70-T189 PolarHBondContact NE2-O 2.92Å; H70-W465 HydrophobicContact CB-CH2 4.14Å; H70-W465 HydrophobicContact CB-CZ2 4.28Å; H70-W465 AromaticContact CD2-CH2 3.27Å; H70-W465 WeakPolarHBondContact CD2-CH2 3.28Å; H70-W465 AromaticContact CD2-CZ2 3.96Å; H70-W465 AromaticContact CE1-CH2 3.96Å; H70-W465 AromaticContact CG-CH2 3.54Å; H70-W465 AromaticContact ND1-CH2 3.96Å; H70-W465 AromaticContact NE2-CH2 3.55Å
71P97.1Very high97.1Very high16 Ų1624.4 Ų24.410%0.10412%0.119CC..G310 helixtrans-66.8-42.2178.827.3-34.5000112.2G73 W465 N468 L469P71-G73 PolarHBondContact O-N 3.24Å; P71-W465 VanDerWaalsContact CD-CE2 3.45Å; P71-W465 HydrophobicContact CG-CG 4.38Å; P71-N468 HydrophobicContact CB-CB 4Å; P71-N468 HydrophobicContact CG-CB 3.76Å; P71-L469 HydrophobicContact CB-CB 4.11Å; P71-L469 HydrophobicContact CG-CB 4.13Å
72D93.5Very high97.1Very high93 Ų9325.9 Ų25.950%0.49713%0.127SC..G310 helixtrans-72-11.417772.1-21.1000113.8H70 N468H70-D72 WeakPolarHBondContact CB-OD1 3.38Å; D72-N468 HydrophobicContact CB-CB 4.39Å
73G94.5Very high97Very high13 Ų1327.9 Ų27.913%0.13414%0.137CC..G310 helixtrans-1287.5-173.600000114.9H70 P71 A75 R76H70-G73 CarbonylContact O-C 3.54Å; H70-G73 PolarHBondContact O-N 3.03Å; P71-G73 PolarHBondContact O-N 3.24Å; G73-A75 VanDerWaalsContact C-N 3.32Å; G73-A75 PolarHBondContact O-N 3.46Å; G73-A75 VanDerWaalsContact O-N 3.1Å; G73-R76 WeakPolarHBondContact O-CB 3.48Å; G73-R76 PolarHBondContact O-N 2.97Å
74Y97.4Very high97Very high26 Ų2627.9 Ų27.910%0.10214%0.137CC..THydrogen-bonded Turntrans-50.9-45-160.1-176.2-98.8000114.3A69 H70 R76 W77 Q78 A98 M99 N440 V442A69-Y74 HydrophobicContact CB-CD2 3.62Å; A69-Y74 HydrophobicContact CB-CE2 3.88Å; H70-Y74 WeakPolarHBondContact O-CA 3.21Å; H70-Y74 WeakPolarHBondContact O-CB 3.41Å; H70-Y74 PolarHBondContact O-N 3.05Å; Y74-R76 PolarHBondContact O-N 2.82Å; Y74-W77 PolarHBondContact O-N 2.97Å; Y74-Q78 HydrophobicContact CD1-CG 4.17Å; Y74-Q78 VanDerWaalsContact CE1-CD 3.45Å; Y74-Q78 HydrophobicContact CE1-CG 3.83Å; Y74-Q78 PolarHBondContact O-N 2.61Å; Y74-A98 HydrophobicContact CE2-CB 3.93Å; Y74-M99 HydrophobicContact CD2-CE 4.33Å; Y74-M99 HydrophobicContact CE1-CE 4.09Å; Y74-M99 HydrophobicContact CE2-CE 3.52Å; Y74-M99 VanDerWaalsContact OH-CE 3.25Å; Y74-M99 WeakPolarHBondContact OH-CE 3.41Å; Y74-N440 HydrophobicContact CD2-CB 4.36Å; Y74-V442 HydrophobicContact CE1-CG2 4.31Å; Y74-V442 HydrophobicContact CE2-CB 4.31Å; Y74-V442 HydrophobicContact CE2-CG2 4.11Å
75A97.3Very high97Very high43 Ų4328.3 Ų28.336%0.35514%0.14SC..Hα-helixtrans-61.3-12178.900000114.5G73 R79G73-A75 VanDerWaalsContact C-N 3.32Å; G73-A75 PolarHBondContact O-N 3.46Å; G73-A75 VanDerWaalsContact O-N 3.1Å; A75-R79 WeakPolarHBondContact O-CB 2.82Å; A75-R79 WeakPolarHBondContact O-CG 3.46Å; A75-R79 PolarHBondContact O-N 3.28Å; A75-R79 PolarHBondContact O-NH1 3.32Å; A75-R79 VanDerWaalsContact O-NH1 3.14Å
76R96.6Very high97Very high90 Ų9034.6 Ų34.634%0.3417%0.17SC..Hα-helixtrans-68.6-44.4171.9-169.7-169.1-47.9-166.510.7111.7D31 T32 G73 Y74 R79 A80D31-R76 WeakPolarHBondContact OD1-CD 3.46Å; D31-R76 IonicContact OD1-CZ 3.25Å; D31-R76 IonicContact OD1-NE 3.41Å; D31-R76 IonicContact OD1-NH1 3.16Å; D31-R76 PolarHBondContact OD1-NH1 3.23Å; D31-R76 IonicContact OD2-CZ 3Å; D31-R76 IonicContact OD2-NH1 2.76Å; D31-R76 PolarHBondContact OD2-NH1 2.98Å; T32-R76 HydrophobicContact CG2-CG 4.22Å; G73-R76 WeakPolarHBondContact O-CB 3.48Å; G73-R76 PolarHBondContact O-N 2.97Å; Y74-R76 PolarHBondContact O-N 2.82Å; R76-R79 PolarHBondContact O-N 2.79Å; R76-A80 PolarHBondContact O-N 3.11Å
77W98Very high97.1Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-70.5-35.3176.3-75.4-108.4000111.2T32 T67 F68 A69 H70 Y74 A80 V81 M99T32-W77 HydrophobicContact CG2-CD2 3.99Å; T32-W77 HydrophobicContact CG2-CG 4.02Å; T67-W77 PolarHBondContact OG1-NE1 3.1Å; F68-W77 WeakPolarHBondContact O-CZ2 3.43Å; A69-W77 HydrophobicContact CB-CB 3.83Å; A69-W77 HydrophobicContact CB-CD2 3.82Å; A69-W77 HydrophobicContact CB-CE3 4.08Å; A69-W77 HydrophobicContact CB-CG 3.68Å; H70-W77 HydrophobicContact CB-CH2 4.07Å; H70-W77 HydrophobicContact CB-CZ3 3.95Å; H70-W77 AromaticContact CD2-CH2 3.29Å; H70-W77 WeakPolarHBondContact CD2-CH2 3.47Å; H70-W77 AromaticContact CD2-CZ2 3.7Å; H70-W77 AromaticContact CG-CH2 3.5Å; H70-W77 VanDerWaalsContact CG-CH2 3.5Å; H70-W77 AromaticContact CG-CZ3 3.9Å; H70-W77 AromaticContact ND1-CH2 3.94Å; H70-W77 AromaticContact NE2-CH2 3.67Å; H70-W77 AromaticContact NE2-CZ2 3.96Å; Y74-W77 PolarHBondContact O-N 2.97Å; W77-A80 WeakPolarHBondContact O-CB 3.42Å; W77-A80 PolarHBondContact O-N 3.07Å; W77-V81 WeakPolarHBondContact O-CG2 3.04Å; W77-V81 PolarHBondContact O-N 3.12Å; W77-M99 HydrophobicContact CB-CE 4.13Å; W77-M99 HydrophobicContact CB-CG 4.02Å; W77-M99 HydrophobicContact CB-SD 3.49Å; W77-M99 WeakPolarHBondContact CB-SD 3.48Å
78Q98.3Very high97.1Very high48 Ų4837.4 Ų37.422%0.22419%0.191CC..Hα-helixtrans-59.7-49.6170.1-63.3-176.7-71.800111.4Y74 A80 V81 D82 M99 Y102Y74-Q78 HydrophobicContact CD1-CG 4.17Å; Y74-Q78 VanDerWaalsContact CE1-CD 3.45Å; Y74-Q78 HydrophobicContact CE1-CG 3.83Å; Y74-Q78 PolarHBondContact O-N 2.61Å; Q78-A80 VanDerWaalsContact C-N 3.27Å; Q78-A80 PolarHBondContact O-N 3.5Å; Q78-V81 WeakPolarHBondContact O-CB 3.48Å; Q78-V81 PolarHBondContact O-N 2.74Å; Q78-V81 VanDerWaalsContact O-N 3.09Å; Q78-D82 PolarHBondContact O-N 3.42Å; Q78-M99 HydrophobicContact CG-CE 4.05Å; Q78-Y102 HydrophobicContact CB-CD1 4.28Å; Q78-Y102 HydrophobicContact CB-CE1 3.74Å; Q78-Y102 HydrophobicContact CG-CD1 4.09Å; Q78-Y102 HydrophobicContact CG-CD2 4.4Å; Q78-Y102 HydrophobicContact CG-CE1 3.97Å; Q78-Y102 HydrophobicContact CG-CE2 4.28Å; Q78-Y102 HydrophobicContact CG-CG 4.32Å
79R98Very high97.1Very high147 Ų14737.7 Ų37.756%0.55519%0.193SC*.Hα-helixtrans-61-32.9175.1-76.1-172.7-56.1-85.83.9113.4A75 R76 M83A75-R79 WeakPolarHBondContact O-CB 2.82Å; A75-R79 WeakPolarHBondContact O-CG 3.46Å; A75-R79 PolarHBondContact O-N 3.28Å; A75-R79 PolarHBondContact O-NH1 3.32Å; A75-R79 VanDerWaalsContact O-NH1 3.14Å; R76-R79 PolarHBondContact O-N 2.79Å; R79-M83 VanDerWaalsContact O-CB 3.22Å; R79-M83 WeakPolarHBondContact O-CB 3.35Å; R79-M83 PolarHBondContact O-N 3.44Å
80A97.8Very high97.1Very high2 Ų239.8 Ų39.82%0.01720%0.204CC..Hα-helixtrans-65-44.5172.700000111.7L28 T32 I65 R76 W77 Q78 A84L28-A80 HydrophobicContact CD1-CB 3.5Å; L28-A80 VanDerWaalsContact CD1-CB 3.5Å; T32-A80 HydrophobicContact CG2-CB 3.9Å; I65-A80 VanDerWaalsContact CD1-C 3.47Å; I65-A80 HydrophobicContact CD1-CB 3.99Å; I65-A80 WeakPolarHBondContact CD1-O 3.43Å; I65-A80 HydrophobicContact CG1-CB 4.32Å; I65-A80 HydrophobicContact CG2-CB 4.05Å; R76-A80 PolarHBondContact O-N 3.11Å; W77-A80 WeakPolarHBondContact O-CB 3.42Å; W77-A80 PolarHBondContact O-N 3.07Å; Q78-A80 VanDerWaalsContact C-N 3.27Å; Q78-A80 PolarHBondContact O-N 3.5Å; A80-A84 WeakPolarHBondContact O-CB 3.45Å; A80-A84 PolarHBondContact O-N 2.93Å
81V98.5Very high97.2Very high0 Ų038.8 Ų38.80%020%0.2CC..Hα-helixtrans-63.3-46.8174.4168.30000110.8I65 W77 Q78 A84 A85 L92 L94 M99 Y102 A103 Y107I65-V81 HydrophobicContact CD1-CB 4.39Å; I65-V81 HydrophobicContact CD1-CG2 3.81Å; W77-V81 WeakPolarHBondContact O-CG2 3.04Å; W77-V81 PolarHBondContact O-N 3.12Å; Q78-V81 WeakPolarHBondContact O-CB 3.48Å; Q78-V81 PolarHBondContact O-N 2.74Å; Q78-V81 VanDerWaalsContact O-N 3.09Å; V81-A84 PolarHBondContact O-N 3.46Å; V81-A85 VanDerWaalsContact O-CB 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.28Å; V81-A85 PolarHBondContact O-N 2.89Å; V81-L92 HydrophobicContact CG1-CD1 3.93Å; V81-L94 HydrophobicContact CG2-CD2 4.35Å; V81-M99 HydrophobicContact CG2-SD 4.17Å; V81-Y102 HydrophobicContact CB-CD1 4.18Å; V81-Y102 HydrophobicContact CB-CE1 4.26Å; V81-Y102 HydrophobicContact CG1-CD1 3.92Å; V81-Y102 HydrophobicContact CG1-CE1 4.09Å; V81-A103 HydrophobicContact CG1-CB 4.14Å; V81-Y107 HydrophobicContact CG1-CD2 3.97Å; V81-Y107 HydrophobicContact CG1-CE2 4.14Å
82D98.4Very high97.3Very high30 Ų3038 Ų3816%0.1620%0.195CC..Hα-helixtrans-57.2-52.8176.3-74.5-41.1000112Q78 A84 A85 Q86 Y102 Y107Q78-D82 PolarHBondContact O-N 3.42Å; D82-A84 PolarHBondContact O-N 3.46Å; D82-A85 PolarHBondContact O-N 3.27Å; D82-Q86 VanDerWaalsContact O-CB 3.25Å; D82-Q86 WeakPolarHBondContact O-CB 3.31Å; D82-Q86 WeakPolarHBondContact O-CG 3.44Å; D82-Q86 PolarHBondContact O-N 3.5Å; D82-Y102 PolarHBondContact OD1-OH 3.44Å; D82-Y102 PolarHBondContact OD2-OH 3.38Å; D82-Y107 VanDerWaalsContact OD1-CE2 3.3Å; D82-Y107 WeakPolarHBondContact OD1-CE2 3.3Å; D82-Y107 PolarHBondContact OD1-OH 2.75Å
83M97.4Very high97.6Very high43 Ų4333.7 Ų33.721%0.21217%0.172CC..Hα-helixtrans-63.4-41.5-179.7177179.652.700111.7L28 E44 L47 R79 L87L28-M83 HydrophobicContact CD1-CE 3.61Å; L28-M83 HydrophobicContact CD2-CE 3.69Å; L28-M83 HydrophobicContact CG-CE 4.16Å; E44-M83 HydrophobicContact CB-SD 3.77Å; E44-M83 HydrophobicContact CG-CG 4.37Å; E44-M83 HydrophobicContact CG-SD 3.91Å; L47-M83 HydrophobicContact CD2-CG 4.21Å; R79-M83 VanDerWaalsContact O-CB 3.22Å; R79-M83 WeakPolarHBondContact O-CB 3.35Å; R79-M83 PolarHBondContact O-N 3.44Å; M83-L87 HydrophobicContact CG-CD1 3.75Å; M83-L87 WeakPolarHBondContact O-CB 3.49Å; M83-L87 WeakPolarHBondContact O-CG 3.27Å; M83-L87 PolarHBondContact O-N 3.03Å; M83-L87 VanDerWaalsContact O-N 3.14Å
84A97.9Very high97.8Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-62.7-45.1176.700000111.7I63 I65 A80 V81 D82 A89 L92I63-A84 HydrophobicContact CB-CB 4.16Å; I63-A84 HydrophobicContact CD1-CB 3.77Å; I63-A84 HydrophobicContact CG1-CB 4.49Å; I63-A84 HydrophobicContact CG2-CB 4.1Å; I65-A84 HydrophobicContact CD1-CB 4.04Å; A80-A84 WeakPolarHBondContact O-CB 3.45Å; A80-A84 PolarHBondContact O-N 2.93Å; V81-A84 PolarHBondContact O-N 3.46Å; D82-A84 PolarHBondContact O-N 3.46Å; A84-A89 HydrophobicContact CB-CB 4.49Å; A84-A89 WeakPolarHBondContact O-CB 3.19Å; A84-A89 PolarHBondContact O-N 2.93Å; A84-L92 HydrophobicContact CB-CD2 3.5Å; A84-L92 VanDerWaalsContact CB-CD2 3.5Å
85A97.5Very high97.8Very high10 Ų1032 Ų328%0.08316%0.162CC..Hα-helixtrans-66.1-52.5178.300000112.4V81 D82 L87 G88 Y107 I110V81-A85 VanDerWaalsContact O-CB 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.28Å; V81-A85 PolarHBondContact O-N 2.89Å; D82-A85 PolarHBondContact O-N 3.27Å; A85-L87 VanDerWaalsContact C-N 3.31Å; A85-L87 PolarHBondContact O-N 3.26Å; A85-G88 PolarHBondContact O-N 3.12Å; A85-G88 VanDerWaalsContact O-N 3.08Å; A85-Y107 HydrophobicContact CB-CD1 3.53Å; A85-Y107 HydrophobicContact CB-CD2 3.72Å; A85-Y107 HydrophobicContact CB-CE1 3.67Å; A85-Y107 HydrophobicContact CB-CE2 3.84Å; A85-Y107 HydrophobicContact CB-CG 3.57Å; A85-I110 VanDerWaalsContact CA-CD1 3.47Å; A85-I110 HydrophobicContact CB-CD1 3.4Å
86Q97.2Very high97.8Very high134 Ų13430 Ų3063%0.62615%0.145SC*.Hα-helixtrans-68.8-27.2-173.1-67.6167.726.200113.3D82 G88 Y107D82-Q86 VanDerWaalsContact O-CB 3.25Å; D82-Q86 WeakPolarHBondContact O-CB 3.31Å; D82-Q86 WeakPolarHBondContact O-CG 3.44Å; D82-Q86 PolarHBondContact O-N 3.5Å; Q86-G88 VanDerWaalsContact C-N 3.35Å; Q86-Y107 HydrophobicContact CG-CE1 4.44Å; Q86-Y107 PolarHBondContact NE2-OH 2.7Å
87L96.4Very high97.9Very high41 Ų4126.2 Ų26.222%0.21513%0.132CC..THydrogen-bonded Turntrans-84.7-4.4174.1-67.4175.6000113.9E44 L47 Q48 V51 M83 A85E44-L87 HydrophobicContact CG-CD1 3.87Å; L47-L87 HydrophobicContact CB-CD1 4.32Å; L47-L87 HydrophobicContact CD2-CB 4.38Å; L47-L87 HydrophobicContact CD2-CD1 3.65Å; L47-L87 HydrophobicContact CG-CB 4.27Å; L47-L87 HydrophobicContact CG-CD1 3.75Å; Q48-L87 HydrophobicContact CB-CD2 4.44Å; V51-L87 WeakPolarHBondContact CG1-O 3.25Å; V51-L87 WeakPolarHBondContact CG2-O 3.39Å; M83-L87 HydrophobicContact CG-CD1 3.75Å; M83-L87 WeakPolarHBondContact O-CB 3.49Å; M83-L87 WeakPolarHBondContact O-CG 3.27Å; M83-L87 PolarHBondContact O-N 3.03Å; M83-L87 VanDerWaalsContact O-N 3.14Å; A85-L87 VanDerWaalsContact C-N 3.31Å; A85-L87 PolarHBondContact O-N 3.26Å
88G95.5Very high97.9Very high27 Ų2726.2 Ų26.228%0.27813%0.132SC..THydrogen-bonded Turntrans92.843173.100000115.4H55 A85 Q86H55-G88 PolarHBondContact CE1-O 2.81Å; H55-G88 VanDerWaalsContact CE1-O 3.28Å; A85-G88 PolarHBondContact O-N 3.12Å; A85-G88 VanDerWaalsContact O-N 3.08Å; Q86-G88 VanDerWaalsContact C-N 3.35Å
89A97.8Very high97.9Very high6 Ų624 Ų245%0.0512%0.121CC..  trans-66.2134.8163.300000111.2I63 A84 L92I63-A89 HydrophobicContact CB-CB 4.46Å; I63-A89 HydrophobicContact CD1-CB 3.69Å; I63-A89 HydrophobicContact CG1-CB 3.8Å; A84-A89 HydrophobicContact CB-CB 4.49Å; A84-A89 WeakPolarHBondContact O-CB 3.19Å; A84-A89 PolarHBondContact O-N 2.93Å; A89-L92 HydrophobicContact CB-CD2 4.31Å
90D98.5Very high98Very high45 Ų4517 Ų1724%0.2419%0.094CC..SBendtrans-73.1-30175.3-61.1-99.8000112.1H55 K60 L61H55-D90 IonicContact CD2-OD2 3.89Å; H55-D90 IonicContact CE1-OD2 3.62Å; H55-D90 IonicContact NE2-OD1 2.71Å; H55-D90 IonicContact NE2-OD2 3.77Å; H55-D90 PolarHBondContact NE2-OD2 3.14Å; K60-D90 WeakPolarHBondContact CA-OD2 3.35Å; K60-D90 HydrophobicContact CB-CB 3.85Å; K60-D90 HydrophobicContact CD-CB 3.98Å; K60-D90 HydrophobicContact CG-CB 3.89Å; L61-D90 PolarHBondContact N-OD2 3.39Å; L61-D90 PolarHBondContact O-N 3.21Å
91A98.6Very high98Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-149.8149.6176.800000113.5H62 I63 E111 H113H62-A91 CarbonylContact C-O 3.14Å; H62-A91 WeakPolarHBondContact CA-O 3.36Å; H62-A91 HydrophobicContact CB-CB 4.28Å; I63-A91 PolarHBondContact N-O 2.96Å; A91-E111 CarbonylContact C-O 3.56Å; A91-E111 WeakPolarHBondContact CA-O 3.26Å; A91-E111 HydrophobicContact CB-CB 3.74Å; A91-H113 WeakPolarHBondContact CB-CE1 3.48Å
92L98.7Very high98Very high1 Ų120.5 Ų20.51%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-106.8122.9172.3-56.8179.9000109.8I63 I65 V81 A84 A89 L94 A103 I110 E111 H113I63-L92 WeakPolarHBondContact O-CA 3.46Å; I65-L92 HydrophobicContact CD1-CD2 4.41Å; V81-L92 HydrophobicContact CG1-CD1 3.93Å; A84-L92 HydrophobicContact CB-CD2 3.5Å; A84-L92 VanDerWaalsContact CB-CD2 3.5Å; A89-L92 HydrophobicContact CB-CD2 4.31Å; L92-L94 HydrophobicContact CB-CD1 4.07Å; L92-L94 HydrophobicContact CB-CD2 4.03Å; L92-L94 HydrophobicContact CB-CG 3.9Å; L92-A103 HydrophobicContact CD1-CB 4.06Å; L92-I110 HydrophobicContact CG-CG2 4.07Å; L92-E111 PolarHBondContact N-O 3.17Å; L92-H113 PolarHBondContact O-N 3.28Å
93I98.6Very high98Very high2 Ų219.1 Ų19.11%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-97.4103.7176.7-58157.5000108.3Y25 H62 I63 A64 I65 H113 S115Y25-I93 HydrophobicContact CD2-CD1 4.41Å; Y25-I93 HydrophobicContact CG-CD1 4.38Å; H62-I93 HydrophobicContact CB-CD1 3.69Å; H62-I93 HydrophobicContact CB-CG1 4.25Å; I63-I93 PolarHBondContact O-N 2.89Å; A64-I93 WeakPolarHBondContact CA-O 3.29Å; A64-I93 HydrophobicContact CB-CB 3.91Å; A64-I93 HydrophobicContact CB-CD1 4.29Å; A64-I93 HydrophobicContact CB-CG2 4.26Å; I65-I93 CarbonylContact C-O 3.22Å; I65-I93 PolarHBondContact N-O 2.75Å; I93-H113 CarbonylContact C-O 3.51Å; I93-H113 WeakPolarHBondContact CA-O 3.36Å; I93-H113 HydrophobicContact CG1-CB 4.02Å; I93-S115 WeakPolarHBondContact CG2-OG 3.4Å
94L98.6Very high98.1Very high0 Ų018.1 Ų18.10%010%0.101CC..EExtended strand (participates in β ladder)trans-119.6144.5-165-56.9179.5000111.9I65 V81 L92 L100 A103 H113 S115I65-L94 HydrophobicContact CB-CD2 3.75Å; I65-L94 HydrophobicContact CD1-CD2 4.45Å; I65-L94 HydrophobicContact CG2-CD2 4.41Å; V81-L94 HydrophobicContact CG2-CD2 4.35Å; L92-L94 HydrophobicContact CB-CD1 4.07Å; L92-L94 HydrophobicContact CB-CD2 4.03Å; L92-L94 HydrophobicContact CB-CG 3.9Å; L94-L100 HydrophobicContact CB-CD2 3.88Å; L94-L100 HydrophobicContact CB-CG 3.94Å; L94-L100 HydrophobicContact CD1-CD2 4.1Å; L94-L100 HydrophobicContact CD1-CG 4.38Å; L94-A103 HydrophobicContact CD1-CB 3.63Å; L94-H113 PolarHBondContact N-O 3.45Å; L94-S115 VanDerWaalsContact O-CB 3.32Å; L94-S115 WeakPolarHBondContact O-CB 3.46Å; L94-S115 PolarHBondContact O-N 3.46Å
95A97.7Very high98.1Very high3 Ų325 Ų253%0.02513%0.133CC..  trans-113.5-35.7-18000000113.9N66 F68 Q117N66-A95 HydrophobicContact CB-CB 4.37Å; F68-A95 HydrophobicContact CD1-CB 4.43Å; F68-A95 HydrophobicContact CE1-CB 3.84Å; F68-A95 HydrophobicContact CZ-CB 4.28Å; A95-Q117 HydrophobicContact CB-CB 3.65Å
96D98.2Very high98.1Very high2 Ų231.6 Ų31.61%0.01116%0.155CC..  trans-81.7134.9-176.2-167-3.7000111.8F68 A69 A98 M99 L100 N440 T443F68-D96 HydrophobicContact CD1-CB 3.94Å; A69-D96 WeakPolarHBondContact CB-OD2 3.45Å; A69-D96 PolarHBondContact N-OD2 3.34Å; D96-A98 PolarHBondContact O-N 2.73Å; D96-A98 PolarHBondContact OD1-N 2.7Å; D96-M99 HydrophobicContact CB-CB 4.21Å; D96-M99 HydrophobicContact CB-CG 4.2Å; D96-M99 PolarHBondContact O-N 3.19Å; D96-L100 WeakPolarHBondContact O-CG 3.41Å; D96-L100 PolarHBondContact O-N 2.71Å; D96-N440 PolarHBondContact OD2-ND2 3.1Å; D96-T443 PolarHBondContact OD1-OG1 3.17Å
97L98.5Very high98.2Very high10 Ų1026 Ų265%0.05213%0.129CC..Hα-helixtrans-61.6-37.1177.2-54.5-172.4000110.8M99 L100 E101 F128 Y129 F133 L417 T443 I446 L447L97-M99 VanDerWaalsContact C-N 3.34Å; L97-M99 PolarHBondContact O-N 2.76Å; L97-L100 HydrophobicContact CD2-CD1 4.4Å; L97-L100 PolarHBondContact O-N 2.92Å; L97-E101 PolarHBondContact O-N 2.91Å; L97-F128 HydrophobicContact CD1-CE1 4.15Å; L97-F128 HydrophobicContact CD2-CE1 4.34Å; L97-Y129 HydrophobicContact CD2-CD1 4.32Å; L97-Y129 HydrophobicContact CD2-CE1 3.46Å; L97-Y129 VanDerWaalsContact CD2-CE1 3.46Å; L97-F133 HydrophobicContact CB-CZ 4.15Å; L97-F133 HydrophobicContact CD2-CE2 3.99Å; L97-F133 HydrophobicContact CD2-CZ 4.17Å; L97-L417 HydrophobicContact CD1-CD2 4.31Å; L97-L417 HydrophobicContact CD2-CD1 4.24Å; L97-T443 HydrophobicContact CB-CG2 4.33Å; L97-T443 HydrophobicContact CD1-CG2 4.27Å; L97-T443 HydrophobicContact CG-CG2 4.36Å; L97-I446 HydrophobicContact CB-CD1 3.76Å; L97-I446 HydrophobicContact CB-CG2 4.44Å; L97-I446 HydrophobicContact CD1-CG2 4.13Å; L97-I446 WeakPolarHBondContact O-CD1 3.27Å; L97-L447 HydrophobicContact CD1-CD2 4.34Å
98A98.5Very high98.2Very high0 Ų027.8 Ų27.80%014%0.142CC..Hα-helixtrans-61.9-38.1176.600000113.3Y74 D96 Y102 N440 V442 T443Y74-A98 HydrophobicContact CE2-CB 3.93Å; D96-A98 PolarHBondContact O-N 2.73Å; D96-A98 PolarHBondContact OD1-N 2.7Å; A98-Y102 VanDerWaalsContact O-CB 3.29Å; A98-Y102 WeakPolarHBondContact O-CB 3.31Å; A98-Y102 PolarHBondContact O-N 3.01Å; A98-N440 VanDerWaalsContact CB-OD1 3.31Å; A98-N440 WeakPolarHBondContact CB-OD1 3.41Å; A98-V442 HydrophobicContact CB-CB 3.67Å; A98-V442 HydrophobicContact CB-CG1 3.62Å; A98-T443 PolarHBondContact N-OG1 2.83Å
99M98.5Very high98.2Very high0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-78.7-29176.4-68.5-57.7108.600112.5A69 Y74 W77 Q78 V81 D96 L97 A103A69-M99 HydrophobicContact CB-CE 4.08Å; Y74-M99 HydrophobicContact CD2-CE 4.33Å; Y74-M99 HydrophobicContact CE1-CE 4.09Å; Y74-M99 HydrophobicContact CE2-CE 3.52Å; Y74-M99 VanDerWaalsContact OH-CE 3.25Å; Y74-M99 WeakPolarHBondContact OH-CE 3.41Å; W77-M99 HydrophobicContact CB-CE 4.13Å; W77-M99 HydrophobicContact CB-CG 4.02Å; W77-M99 HydrophobicContact CB-SD 3.49Å; W77-M99 WeakPolarHBondContact CB-SD 3.48Å; Q78-M99 HydrophobicContact CG-CE 4.05Å; V81-M99 HydrophobicContact CG2-SD 4.17Å; D96-M99 HydrophobicContact CB-CB 4.21Å; D96-M99 HydrophobicContact CB-CG 4.2Å; D96-M99 PolarHBondContact O-N 3.19Å; L97-M99 VanDerWaalsContact C-N 3.34Å; L97-M99 PolarHBondContact O-N 2.76Å; M99-A103 WeakPolarHBondContact O-CB 3.43Å; M99-A103 PolarHBondContact O-N 3.16Å
100L98.7Very high98.2Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-67.4-44.4171.2-75.9159.3000111.7L94 D96 L97 A104 R112 Y129 F133 V135L94-L100 HydrophobicContact CB-CD2 3.88Å; L94-L100 HydrophobicContact CB-CG 3.94Å; L94-L100 HydrophobicContact CD1-CD2 4.1Å; L94-L100 HydrophobicContact CD1-CG 4.38Å; D96-L100 WeakPolarHBondContact O-CG 3.41Å; D96-L100 PolarHBondContact O-N 2.71Å; L97-L100 HydrophobicContact CD2-CD1 4.4Å; L97-L100 PolarHBondContact O-N 2.92Å; L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.4Å; L100-A104 PolarHBondContact O-N 3.19Å; L100-R112 HydrophobicContact CD2-CB 4.41Å; L100-Y129 HydrophobicContact CD1-CD1 3.75Å; L100-Y129 HydrophobicContact CD1-CE1 3.61Å; L100-F133 HydrophobicContact CB-CB 4.01Å; L100-F133 HydrophobicContact CB-CD1 3.8Å; L100-F133 HydrophobicContact CB-CD2 3.93Å; L100-F133 HydrophobicContact CB-CE1 4.26Å; L100-F133 HydrophobicContact CB-CE2 4.38Å; L100-F133 HydrophobicContact CB-CG 3.62Å; L100-F133 HydrophobicContact CD1-CD2 4.26Å; L100-F133 HydrophobicContact CD2-CB 4.45Å; L100-V135 HydrophobicContact CD2-CG1 3.97Å
101E98.5Very high98.2Very high34 Ų3434.5 Ų34.516%0.15916%0.164CC..Hα-helixtrans-60.2-52.2172.4-169.3168.7-108.500110.2L97 A103 A104 E105 F133 I446 K449L97-E101 PolarHBondContact O-N 2.91Å; E101-A103 PolarHBondContact O-N 3.3Å; E101-A104 PolarHBondContact O-N 3.07Å; E101-E105 WeakPolarHBondContact O-CG 3.5Å; E101-E105 PolarHBondContact O-N 2.92Å; E101-F133 HydrophobicContact CB-CD1 4.24Å; E101-F133 HydrophobicContact CB-CE1 3.98Å; E101-I446 HydrophobicContact CB-CD1 3.79Å; E101-I446 HydrophobicContact CG-CD1 4.36Å; E101-I446 WeakPolarHBondContact OE1-CG1 3.25Å; E101-K449 IonicContact OE1-NZ 3.27Å; E101-K449 PolarHBondContact OE1-NZ 2.82Å; E101-K449 IonicContact OE2-NZ 2.89Å
102Y98.6Very high98.2Very high43 Ų4334.8 Ų34.817%0.16917%0.165CC..Hα-helixtrans-58.8-43.5179.3-174.2-108.6000113.3Q78 V81 D82 A98 R106Q78-Y102 HydrophobicContact CB-CD1 4.28Å; Q78-Y102 HydrophobicContact CB-CE1 3.74Å; Q78-Y102 HydrophobicContact CG-CD1 4.09Å; Q78-Y102 HydrophobicContact CG-CD2 4.4Å; Q78-Y102 HydrophobicContact CG-CE1 3.97Å; Q78-Y102 HydrophobicContact CG-CE2 4.28Å; Q78-Y102 HydrophobicContact CG-CG 4.32Å; V81-Y102 HydrophobicContact CB-CD1 4.18Å; V81-Y102 HydrophobicContact CB-CE1 4.26Å; V81-Y102 HydrophobicContact CG1-CD1 3.92Å; V81-Y102 HydrophobicContact CG1-CE1 4.09Å; D82-Y102 PolarHBondContact OD1-OH 3.44Å; D82-Y102 PolarHBondContact OD2-OH 3.38Å; A98-Y102 VanDerWaalsContact O-CB 3.29Å; A98-Y102 WeakPolarHBondContact O-CB 3.31Å; A98-Y102 PolarHBondContact O-N 3.01Å; Y102-R106 WeakPolarHBondContact O-CB 3.24Å; Y102-R106 PolarHBondContact O-N 2.84Å
103A98.7Very high98.2Very high0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-68.9-37.9177.900000112.6V81 L92 L94 M99 E101 Y107 R112V81-A103 HydrophobicContact CG1-CB 4.14Å; L92-A103 HydrophobicContact CD1-CB 4.06Å; L94-A103 HydrophobicContact CD1-CB 3.63Å; M99-A103 WeakPolarHBondContact O-CB 3.43Å; M99-A103 PolarHBondContact O-N 3.16Å; E101-A103 PolarHBondContact O-N 3.3Å; A103-Y107 CarbonylContact O-C 3.49Å; A103-Y107 WeakPolarHBondContact O-CA 3.37Å; A103-Y107 PolarHBondContact O-N 2.89Å; A103-R112 HydrophobicContact CB-CG 4.14Å
104A98.4Very high98.2Very high23 Ų2334.7 Ų34.719%0.1917%0.165CC..Hα-helixtrans-68.2-42.7177.900000111.9L100 E101 P108 F133L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.4Å; L100-A104 PolarHBondContact O-N 3.19Å; E101-A104 PolarHBondContact O-N 3.07Å; A104-P108 WeakPolarHBondContact O-CB 3.43Å; A104-F133 HydrophobicContact CB-CB 4.49Å
105E98.1Very high98.2Very high144 Ų14434.9 Ų34.967%0.67317%0.166SC*.Hα-helixtrans-70.1-42.9176.9-69.4-174.4163.500112.5E101E101-E105 WeakPolarHBondContact O-CG 3.5Å; E101-E105 PolarHBondContact O-N 2.92Å
106R98.2Very high98.1Very high148 Ų14835 Ų3556%0.55817%0.167SC*.Hα-helixtrans-87.9-36.6-170.8-167.469.8-176.2117.80.4113.9Y102 P108Y102-R106 WeakPolarHBondContact O-CB 3.24Å; Y102-R106 PolarHBondContact O-N 2.84Å; R106-P108 VanDerWaalsContact C-CD 3.48Å
107Y98.1Very high97.9Very high18 Ų1835.6 Ų35.67%0.07117%0.169CC..  trans-133.855.8-174.5-57-73.9000112V81 D82 A85 Q86 A103 H109 I110V81-Y107 HydrophobicContact CG1-CD2 3.97Å; V81-Y107 HydrophobicContact CG1-CE2 4.14Å; D82-Y107 VanDerWaalsContact OD1-CE2 3.3Å; D82-Y107 WeakPolarHBondContact OD1-CE2 3.3Å; D82-Y107 PolarHBondContact OD1-OH 2.75Å; A85-Y107 HydrophobicContact CB-CD1 3.53Å; A85-Y107 HydrophobicContact CB-CD2 3.72Å; A85-Y107 HydrophobicContact CB-CE1 3.67Å; A85-Y107 HydrophobicContact CB-CE2 3.84Å; A85-Y107 HydrophobicContact CB-CG 3.57Å; Q86-Y107 HydrophobicContact CG-CE1 4.44Å; Q86-Y107 PolarHBondContact NE2-OH 2.7Å; A103-Y107 CarbonylContact O-C 3.49Å; A103-Y107 WeakPolarHBondContact O-CA 3.37Å; A103-Y107 PolarHBondContact O-N 2.89Å; Y107-H109 PolarHBondContact O-N 2.71Å; Y107-I110 HydrophobicContact CG-CD1 4.47Å; Y107-I110 PolarHBondContact O-N 3.2Å
108P97.2Very high97.8Very high77 Ų7735.1 Ų35.150%0.517%0.167SC..THydrogen-bonded Turntrans-57.5-25.1-174.221.1-33.5000114A104 R106 I110 R112A104-P108 WeakPolarHBondContact O-CB 3.43Å; R106-P108 VanDerWaalsContact C-CD 3.48Å; P108-I110 VanDerWaalsContact C-N 3.33Å; P108-I110 PolarHBondContact O-N 2.82Å; P108-R112 PolarHBondContact O-NH1 3.47Å
109H96.3Very high97.6Very high152 Ų15235.1 Ų35.170%0.70417%0.167SC*.THydrogen-bonded Turntrans-78.4-6.5-179.560-90.9000115.1Y107Y107-H109 PolarHBondContact O-N 2.71Å
110I97.8Very high97.5Very high12 Ų1235.2 Ų35.26%0.06217%0.168CC..SBendtrans-101.5134.2178.9-55.6-173.8000109.5A85 L92 Y107 P108 R112A85-I110 VanDerWaalsContact CA-CD1 3.47Å; A85-I110 HydrophobicContact CB-CD1 3.4Å; L92-I110 HydrophobicContact CG-CG2 4.07Å; Y107-I110 HydrophobicContact CG-CD1 4.47Å; Y107-I110 PolarHBondContact O-N 3.2Å; P108-I110 VanDerWaalsContact C-N 3.33Å; P108-I110 PolarHBondContact O-N 2.82Å; I110-R112 PolarHBondContact O-N 2.59Å; I110-R112 PolarHBondContact O-NH1 3.14Å
111E98.3Very high97.2Very high55 Ų5535.2 Ų35.226%0.25717%0.168SC..EExtended strand (participates in β ladder)trans-59.7127.6179.4-73.6-177.9-139.700111.1K60 A91 L92 H113 A136 R137K60-E111 IonicContact NZ-OE1 3.24Å; K60-E111 PolarHBondContact NZ-OE1 3.04Å; K60-E111 IonicContact NZ-OE2 2.71Å; A91-E111 CarbonylContact C-O 3.56Å; A91-E111 WeakPolarHBondContact CA-O 3.26Å; A91-E111 HydrophobicContact CB-CB 3.74Å; L92-E111 PolarHBondContact N-O 3.17Å; E111-H113 IonicContact OE2-CD2 3.56Å; E111-H113 IonicContact OE2-CE1 3.11Å; E111-H113 IonicContact OE2-NE2 2.82Å; E111-H113 PolarHBondContact OE2-NE2 2.82Å; E111-A136 HydrophobicContact CB-CB 3.95Å; E111-A136 HydrophobicContact CG-CB 3.85Å; E111-R137 IonicContact OE2-NH2 3.58Å
112R98.6Very high97.1Very high7 Ų733.7 Ų33.73%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-103.6118.5174.3-65.6162.6-57.4-80.31.4108.6L100 A103 P108 I110 F133 D134 V135 A136L100-R112 HydrophobicContact CD2-CB 4.41Å; A103-R112 HydrophobicContact CB-CG 4.14Å; P108-R112 PolarHBondContact O-NH1 3.47Å; I110-R112 PolarHBondContact O-N 2.59Å; I110-R112 PolarHBondContact O-NH1 3.14Å; R112-F133 PolarHBondContact NE-O 2.97Å; R112-F133 PolarHBondContact NH2-O 2.88Å; R112-D134 IonicContact CZ-OD2 3.97Å; R112-D134 VanDerWaalsContact NH2-CB 3.3Å; R112-D134 VanDerWaalsContact NH2-CG 3.33Å; R112-D134 PolarHBondContact NH2-O 3.5Å; R112-D134 IonicContact NH2-OD2 2.72Å; R112-D134 PolarHBondContact NH2-OD2 3.36Å; R112-V135 HydrophobicContact CB-CG1 4.4Å; R112-V135 CarbonylContact O-C 3.58Å; R112-V135 WeakPolarHBondContact O-CA 3.45Å; R112-V135 WeakPolarHBondContact O-CB 3.36Å; R112-A136 PolarHBondContact O-N 2.86Å
113H98.7Very high96.9Very high0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-109.5124.1-179.9-62.9177.3000109.1H62 A91 L92 I93 L94 E111 S115 R137H62-H113 AromaticContact CE1-CE1 3.71Å; H62-H113 AromaticContact ND1-CE1 3.86Å; H62-H113 AromaticContact ND1-ND1 3.98Å; A91-H113 WeakPolarHBondContact CB-CE1 3.48Å; L92-H113 PolarHBondContact O-N 3.28Å; I93-H113 CarbonylContact C-O 3.51Å; I93-H113 WeakPolarHBondContact CA-O 3.36Å; I93-H113 HydrophobicContact CG1-CB 4.02Å; L94-H113 PolarHBondContact N-O 3.45Å; E111-H113 IonicContact OE2-CD2 3.56Å; E111-H113 IonicContact OE2-CE1 3.11Å; E111-H113 IonicContact OE2-NE2 2.82Å; E111-H113 PolarHBondContact OE2-NE2 2.82Å; H113-S115 PolarHBondContact O-N 2.95Å; H113-R137 CarbonylContact C-O 3.56Å; H113-R137 WeakPolarHBondContact CA-O 3.41Å; H113-R137 HydrophobicContact CB-CB 4.03Å; H113-R137 WeakPolarHBondContact CD2-CB 3.27Å; H113-R137 PolarHBondContact CE1-NE 3.24Å; H113-R137 VanDerWaalsContact CE1-NE 3.32Å; H113-R137 PolarHBondContact NE2-NE 2.78Å
114V98.6Very high96.9Very high0 Ų035.9 Ų35.90%017%0.173CC..EExtended strand (participates in β ladder)trans-70.2117.8175.9-178.70000108.9A118 A120 Y129 V135 R137 V138 V139V114-A118 HydrophobicContact CG1-CB 3.4Å; V114-A118 VanDerWaalsContact CG1-CB 3.4Å; V114-A120 HydrophobicContact CG1-CB 4.22Å; V114-Y129 HydrophobicContact CG1-CD1 4.25Å; V114-Y129 HydrophobicContact CG1-CD2 4.05Å; V114-Y129 HydrophobicContact CG1-CE1 4.15Å; V114-Y129 HydrophobicContact CG1-CE2 4Å; V114-Y129 HydrophobicContact CG1-CG 4.22Å; V114-Y129 HydrophobicContact CG2-CD1 3.75Å; V114-Y129 HydrophobicContact CG2-CD2 4.15Å; V114-Y129 HydrophobicContact CG2-CE1 4.42Å; V114-Y129 HydrophobicContact CG2-CG 3.62Å; V114-V135 HydrophobicContact CG2-CB 3.94Å; V114-V135 HydrophobicContact CG2-CG1 3.72Å; V114-V135 HydrophobicContact CG2-CG2 3.84Å; V114-R137 PolarHBondContact N-O 2.98Å; V114-V138 HydrophobicContact CB-CB 4.33Å; V114-V138 HydrophobicContact CB-CG1 4.13Å; V114-V138 HydrophobicContact CB-CG2 4.03Å; V114-V138 HydrophobicContact CG1-CG1 4.34Å; V114-V138 HydrophobicContact CG2-CG2 4.02Å; V114-V139 WeakPolarHBondContact O-CB 3.38Å; V114-V139 WeakPolarHBondContact O-CG2 3.49Å; V114-V139 PolarHBondContact O-N 2.94Å
115S97.8Very high96.8Very high5 Ų534.9 Ų34.94%0.03516%0.164CC..  trans-72.4155.3179.8-162.60000111.9N66 I93 L94 H113 Q117 A118N66-S115 WeakPolarHBondContact CB-OG 3.37Å; N66-S115 PolarHBondContact ND2-OG 2.87Å; I93-S115 WeakPolarHBondContact CG2-OG 3.4Å; L94-S115 VanDerWaalsContact O-CB 3.32Å; L94-S115 WeakPolarHBondContact O-CB 3.46Å; L94-S115 PolarHBondContact O-N 3.46Å; H113-S115 PolarHBondContact O-N 2.95Å; S115-Q117 PolarHBondContact O-N 2.98Å; S115-Q117 VanDerWaalsContact O-N 3.13Å; S115-Q117 PolarHBondContact OG-OE1 2.81Å; S115-A118 WeakPolarHBondContact O-CB 3.48Å; S115-A118 PolarHBondContact O-N 2.83Å
116V95.3Very high96.8Very high6 Ų628 Ų284%0.03613%0.132CC..G310 helixtrans-60.1-28.6-179.973.10000112.8A118 S119 V139 P141 F163 E173V116-A118 PolarHBondContact O-N 3.23Å; V116-S119 PolarHBondContact O-N 2.78Å; V116-V139 HydrophobicContact CB-CB 4.49Å; V116-V139 HydrophobicContact CB-CG1 4.13Å; V116-P141 VanDerWaalsContact CG2-CA 3.49Å; V116-P141 HydrophobicContact CG2-CB 4.01Å; V116-P141 HydrophobicContact CG2-CG 3.83Å; V116-F163 HydrophobicContact CB-CE2 4.01Å; V116-F163 HydrophobicContact CG1-CE2 4.02Å; V116-F163 HydrophobicContact CG1-CZ 4.14Å; V116-F163 HydrophobicContact CG2-CE2 4.03Å; V116-E173 HydrophobicContact CB-CB 4.45Å; V116-E173 HydrophobicContact CG1-CB 3.88Å; V116-E173 HydrophobicContact CG1-CG 3.98Å; V116-E173 HydrophobicContact CG2-CB 4.15Å; V116-E173 HydrophobicContact CG2-CG 4.27Å; V116-E173 WeakPolarHBondContact CG2-OE2 2.99Å
117Q95.1Very high96.8Very high13 Ų1322.4 Ų22.46%0.06111%0.113CC..G310 helixtrans-58.1-14.4171.9-80.569.929.200114.5A34 N66 F68 A95 S115 S119 E173 G174 N437A34-Q117 HydrophobicContact CB-CG 4.31Å; N66-Q117 PolarHBondContact ND2-OE1 3.2Å; N66-Q117 WeakPolarHBondContact O-CG 3.49Å; F68-Q117 HydrophobicContact CZ-CB 4.38Å; F68-Q117 WeakPolarHBondContact CZ-O 3.02Å; A95-Q117 HydrophobicContact CB-CB 3.65Å; S115-Q117 PolarHBondContact O-N 2.98Å; S115-Q117 VanDerWaalsContact O-N 3.13Å; S115-Q117 PolarHBondContact OG-OE1 2.81Å; Q117-S119 VanDerWaalsContact C-N 3.26Å; Q117-S119 PolarHBondContact O-N 3.48Å; Q117-E173 CarbonylContact C-O 3.54Å; Q117-E173 VanDerWaalsContact CA-O 3.28Å; Q117-E173 WeakPolarHBondContact CA-O 3.1Å; Q117-G174 WeakPolarHBondContact O-CA 3.44Å; Q117-N437 PolarHBondContact O-ND2 3.38Å
118A96.4Very high96.8Very high1 Ų121.6 Ų21.61%0.00811%0.11CC..G310 helixtrans-73.9-13.9172.900000113.7V114 S115 V116 A120 Y129V114-A118 HydrophobicContact CG1-CB 3.4Å; V114-A118 VanDerWaalsContact CG1-CB 3.4Å; S115-A118 WeakPolarHBondContact O-CB 3.48Å; S115-A118 PolarHBondContact O-N 2.83Å; V116-A118 PolarHBondContact O-N 3.23Å; A118-A120 PolarHBondContact O-N 3.5Å; A118-Y129 HydrophobicContact CB-CE2 4.34Å; A118-Y129 WeakPolarHBondContact CB-OH 3.44Å
119S94.4Very high96.8Very high0 Ų018.1 Ų18.10%09%0.087CC..  trans55.525-171.3-66.10000114.8V116 Q117 T121 S172 E173V116-S119 PolarHBondContact O-N 2.78Å; Q117-S119 VanDerWaalsContact C-N 3.26Å; Q117-S119 PolarHBondContact O-N 3.48Å; S119-T121 WeakPolarHBondContact O-CG2 3.41Å; S119-T121 PolarHBondContact O-N 2.97Å; S119-T121 PolarHBondContact O-OG1 3.19Å; S119-S172 WeakPolarHBondContact CB-OG 3.38Å; S119-S172 PolarHBondContact OG-OG 3.21Å; S119-E173 PolarHBondContact OG-O 2.95Å
120A95.4Very high96.9Very high2 Ų214.4 Ų14.42%0.0177%0.07CC..  trans-62.9100.9178.200000111.1V114 A118 I126 Y129 V138 P141V114-A120 HydrophobicContact CG1-CB 4.22Å; A118-A120 PolarHBondContact O-N 3.5Å; A120-I126 HydrophobicContact CB-CG1 4.32Å; A120-Y129 HydrophobicContact CB-CD2 4.22Å; A120-Y129 HydrophobicContact CB-CE2 3.9Å; A120-V138 HydrophobicContact CB-CG1 3.79Å; A120-P141 WeakPolarHBondContact O-CD 3.11Å
121T93Very high96.8Very high0 Ų019.9 Ų19.90%09%0.089CC..  trans-123.6-8.5-166.634.60000114.4S119 P141 L144 L391 V392 Q393S119-T121 WeakPolarHBondContact O-CG2 3.41Å; S119-T121 PolarHBondContact O-N 2.97Å; S119-T121 PolarHBondContact O-OG1 3.19Å; T121-P141 HydrophobicContact CG2-CB 4.18Å; T121-P141 HydrophobicContact CG2-CG 3.8Å; T121-L144 HydrophobicContact CG2-CD1 4.45Å; T121-L391 HydrophobicContact CG2-CD1 3.91Å; T121-L391 VanDerWaalsContact OG1-CD1 3.24Å; T121-L391 WeakPolarHBondContact OG1-CD1 3.37Å; T121-V392 CarbonylContact C-O 3.46Å; T121-V392 VanDerWaalsContact CB-O 3.27Å; T121-V392 WeakPolarHBondContact CB-O 3.28Å; T121-V392 PolarHBondContact OG1-O 2.94Å; T121-V392 VanDerWaalsContact OG1-O 3.08Å; T121-Q393 HydrophobicContact CG2-CG 4.27Å
122N95.1Very high96.8Very high2 Ų220.5 Ų20.51%0.0119%0.092CC..SBendtrans-140.2162.3-174.960.683000111.7E124 A125 I126 V392 L398 D416 G418N122-E124 PolarHBondContact O-N 3Å; N122-E124 PolarHBondContact OD1-N 2.92Å; N122-A125 PolarHBondContact O-N 2.82Å; N122-A125 WeakPolarHBondContact OD1-CB 3.38Å; N122-A125 PolarHBondContact OD1-N 2.99Å; N122-I126 WeakPolarHBondContact O-CG1 3.45Å; N122-I126 PolarHBondContact O-N 3.19Å; N122-I126 VanDerWaalsContact O-N 3.13Å; N122-V392 HydrophobicContact CB-CB 4.49Å; N122-V392 HydrophobicContact CB-CG1 4.38Å; N122-V392 PolarHBondContact ND2-O 2.97Å; N122-L398 HydrophobicContact CB-CD1 4.29Å; N122-L398 HydrophobicContact CB-CD2 4.1Å; N122-L398 HydrophobicContact CB-CG 4.48Å; N122-D416 PolarHBondContact ND2-OD1 3.49Å; N122-G418 WeakPolarHBondContact OD1-CA 3.46Å
123E96Very high96.7Very high52 Ų5220.4 Ų20.424%0.2439%0.092CC..Hα-helixtrans-57.7-45.9-177178178.5177.700113I126 N127 V155 T156 L398E123-I126 PolarHBondContact O-N 3.13Å; E123-N127 WeakPolarHBondContact O-CB 3.42Å; E123-N127 VanDerWaalsContact O-CG 3.27Å; E123-N127 PolarHBondContact O-N 3.12Å; E123-N127 PolarHBondContact O-ND2 3.39Å; E123-V155 HydrophobicContact CB-CG2 3.95Å; E123-V155 VanDerWaalsContact CD-CG2 3.42Å; E123-V155 HydrophobicContact CG-CB 4.32Å; E123-V155 HydrophobicContact CG-CG2 3.76Å; E123-V155 VanDerWaalsContact OE2-CG2 3.26Å; E123-V155 WeakPolarHBondContact OE2-CG2 3.31Å; E123-T156 HydrophobicContact CB-CG2 4.4Å; E123-T156 HydrophobicContact CG-CG2 4.33Å; E123-L398 HydrophobicContact CB-CD1 4.35Å
124E97.1Very high96.7Very high37 Ų3725.2 Ų25.217%0.17312%0.118CC..Hα-helixtrans-63.1-44.1-178.4-65.1-73-179.600112N122 I126 N127 F128 L398 G418 N421 M422N122-E124 PolarHBondContact O-N 3Å; N122-E124 PolarHBondContact OD1-N 2.92Å; E124-I126 VanDerWaalsContact C-N 3.34Å; E124-I126 PolarHBondContact O-N 3.43Å; E124-N127 PolarHBondContact O-N 3.23Å; E124-F128 PolarHBondContact O-N 3.4Å; E124-L398 HydrophobicContact CB-CD2 4.41Å; E124-L398 HydrophobicContact CG-CD1 4.45Å; E124-L398 HydrophobicContact CG-CD2 3.95Å; E124-G418 VanDerWaalsContact CB-CA 3.42Å; E124-N421 HydrophobicContact CB-CB 4.44Å; E124-N421 PolarHBondContact OE2-ND2 3.36Å; E124-M422 HydrophobicContact CG-CE 3.76Å; E124-M422 HydrophobicContact CG-CG 4.26Å
125A97.2Very high96.7Very high1 Ų125.4 Ų25.41%0.00812%0.119CC..Hα-helixtrans-62.2-40.517400000111.8N122 F128 Y129 L417N122-A125 PolarHBondContact O-N 2.82Å; N122-A125 WeakPolarHBondContact OD1-CB 3.38Å; N122-A125 PolarHBondContact OD1-N 2.99Å; A125-F128 WeakPolarHBondContact O-CB 3.4Å; A125-F128 PolarHBondContact O-N 2.98Å; A125-Y129 WeakPolarHBondContact O-CD2 3.38Å; A125-Y129 PolarHBondContact O-N 3.47Å; A125-L417 HydrophobicContact CB-CB 4.17Å
126I97.9Very high96.7Very high0 Ų026.9 Ų26.90%013%0.131CC..Hα-helixtrans-69.2-39.4178.3-67.5169.9000111.1A120 N122 E123 E124 F128 Y129 H130 V138 L140 L152 T156 V158 L160A120-I126 HydrophobicContact CB-CG1 4.32Å; N122-I126 WeakPolarHBondContact O-CG1 3.45Å; N122-I126 PolarHBondContact O-N 3.19Å; N122-I126 VanDerWaalsContact O-N 3.13Å; E123-I126 PolarHBondContact O-N 3.13Å; E124-I126 VanDerWaalsContact C-N 3.34Å; E124-I126 PolarHBondContact O-N 3.43Å; I126-F128 VanDerWaalsContact C-N 3.33Å; I126-F128 PolarHBondContact O-N 3.31Å; I126-Y129 PolarHBondContact O-N 3.17Å; I126-H130 WeakPolarHBondContact O-CB 3.46Å; I126-H130 PolarHBondContact O-N 2.94Å; I126-V138 HydrophobicContact CD1-CG1 4.38Å; I126-V138 HydrophobicContact CG1-CG1 4.23Å; I126-V138 HydrophobicContact CG1-CG2 4.23Å; I126-V138 HydrophobicContact CG2-CG2 3.97Å; I126-L140 HydrophobicContact CD1-CD2 4.16Å; I126-L152 HydrophobicContact CD1-CD1 4.4Å; I126-L152 HydrophobicContact CD1-CD2 4.41Å; I126-T156 HydrophobicContact CB-CG2 3.84Å; I126-T156 HydrophobicContact CD1-CG2 3.88Å; I126-T156 HydrophobicContact CG1-CG2 4.45Å; I126-T156 HydrophobicContact CG2-CG2 3.64Å; I126-V158 HydrophobicContact CG2-CB 4.07Å; I126-V158 HydrophobicContact CG2-CG2 3.96Å; I126-L160 HydrophobicContact CD1-CD2 4.24Å
127N97.5Very high96.8Very high31 Ų3127.2 Ų27.217%0.16613%0.132CC..Hα-helixtrans-64.3-36.2174.6-74.3-20.5000112E123 E124 H130 R131 P157E123-N127 WeakPolarHBondContact O-CB 3.42Å; E123-N127 VanDerWaalsContact O-CG 3.27Å; E123-N127 PolarHBondContact O-N 3.12Å; E123-N127 PolarHBondContact O-ND2 3.39Å; E124-N127 PolarHBondContact O-N 3.23Å; N127-H130 PolarHBondContact O-N 3.41Å; N127-R131 WeakPolarHBondContact O-CB 3.38Å; N127-R131 PolarHBondContact O-N 3.23Å; N127-P157 WeakPolarHBondContact OD1-CD 3.25Å
128F98Very high97Very high0 Ų026.6 Ų26.60%013%0.129CC..Hα-helixtrans-58.8-53.7170.8-175.9-98000111.5L97 E124 A125 I126 H130 R131 H132 F133 L417 V420 N421 I446 Q450L97-F128 HydrophobicContact CD1-CE1 4.15Å; L97-F128 HydrophobicContact CD2-CE1 4.34Å; E124-F128 PolarHBondContact O-N 3.4Å; A125-F128 WeakPolarHBondContact O-CB 3.4Å; A125-F128 PolarHBondContact O-N 2.98Å; I126-F128 VanDerWaalsContact C-N 3.33Å; I126-F128 PolarHBondContact O-N 3.31Å; F128-H130 VanDerWaalsContact C-N 3.3Å; F128-H130 PolarHBondContact O-N 3.35Å; F128-R131 PolarHBondContact O-N 3.41Å; F128-H132 AromaticContact CD2-CD2 3.38Å; F128-H132 WeakPolarHBondContact CD2-CD2 3.24Å; F128-H132 AromaticContact CD2-NE2 3.7Å; F128-H132 AromaticContact CE2-CD2 3.35Å; F128-H132 WeakPolarHBondContact CE2-CD2 3.37Å; F128-H132 AromaticContact CE2-NE2 3.57Å; F128-H132 AromaticContact CG-CD2 3.93Å; F128-H132 AromaticContact CZ-CD2 3.89Å; F128-H132 PolarHBondContact O-CD2 3.1Å; F128-H132 VanDerWaalsContact O-CD2 3.24Å; F128-H132 PolarHBondContact O-N 3.17Å; F128-F133 HydrophobicContact CD1-CE2 4.45Å; F128-F133 HydrophobicContact CE1-CE2 4.08Å; F128-F133 HydrophobicContact CE1-CZ 4.35Å; F128-L417 HydrophobicContact CD1-CD2 4.26Å; F128-L417 HydrophobicContact CE1-CD2 4.06Å; F128-V420 HydrophobicContact CE2-CG1 4.36Å; F128-N421 HydrophobicContact CB-CB 4.15Å; F128-N421 HydrophobicContact CD2-CB 4.31Å; F128-I446 HydrophobicContact CZ-CG2 4.39Å; F128-Q450 HydrophobicContact CE2-CG 3.85Å; F128-Q450 HydrophobicContact CZ-CG 4.17Å
129Y98.4Very high97Very high4 Ų426.6 Ų26.62%0.01613%0.129CC..Hα-helixtrans-58.3-41.9178.5-74.4-68.1000112.8L97 L100 V114 A118 A120 A125 I126 F133 L417L97-Y129 HydrophobicContact CD2-CD1 4.32Å; L97-Y129 HydrophobicContact CD2-CE1 3.46Å; L97-Y129 VanDerWaalsContact CD2-CE1 3.46Å; L100-Y129 HydrophobicContact CD1-CD1 3.75Å; L100-Y129 HydrophobicContact CD1-CE1 3.61Å; V114-Y129 HydrophobicContact CG1-CD1 4.25Å; V114-Y129 HydrophobicContact CG1-CD2 4.05Å; V114-Y129 HydrophobicContact CG1-CE1 4.15Å; V114-Y129 HydrophobicContact CG1-CE2 4Å; V114-Y129 HydrophobicContact CG1-CG 4.22Å; V114-Y129 HydrophobicContact CG2-CD1 3.75Å; V114-Y129 HydrophobicContact CG2-CD2 4.15Å; V114-Y129 HydrophobicContact CG2-CE1 4.42Å; V114-Y129 HydrophobicContact CG2-CG 3.62Å; A118-Y129 HydrophobicContact CB-CE2 4.34Å; A118-Y129 WeakPolarHBondContact CB-OH 3.44Å; A120-Y129 HydrophobicContact CB-CD2 4.22Å; A120-Y129 HydrophobicContact CB-CE2 3.9Å; A125-Y129 WeakPolarHBondContact O-CD2 3.38Å; A125-Y129 PolarHBondContact O-N 3.47Å; I126-Y129 PolarHBondContact O-N 3.17Å; Y129-F133 AromaticContact CD1-CD2 3.97Å; Y129-F133 HydrophobicContact CD1-CD2 3.97Å; Y129-F133 HydrophobicContact CD1-CE2 4.02Å; Y129-F133 PolarHBondContact O-N 3.16Å; Y129-F133 VanDerWaalsContact O-N 3.12Å; Y129-L417 HydrophobicContact CE1-CD1 4.48Å; Y129-L417 HydrophobicContact CE2-CD1 4.03Å; Y129-L417 WeakPolarHBondContact OH-CD1 3.48Å
130H97.8Very high97.1Very high74 Ų7426.8 Ų26.834%0.34313%0.13SC..Hα-helixtrans-62.1-50.6177.3-175.3-132.9000112I126 N127 F128 H132 D134 P157 V158I126-H130 WeakPolarHBondContact O-CB 3.46Å; I126-H130 PolarHBondContact O-N 2.94Å; N127-H130 PolarHBondContact O-N 3.41Å; F128-H130 VanDerWaalsContact C-N 3.3Å; F128-H130 PolarHBondContact O-N 3.35Å; H130-H132 PolarHBondContact O-N 3.3Å; H130-D134 WeakPolarHBondContact O-CA 3.42Å; H130-D134 PolarHBondContact O-N 3.12Å; H130-P157 WeakPolarHBondContact ND1-CG 3.39Å; H130-V158 HydrophobicContact CB-CG2 3.58Å
131R96.4Very high96.9Very high127 Ų12726.8 Ų26.848%0.47913%0.13SC..Hα-helixtrans-63.9-39.2-176.3-180-178.3-63.5159.6-1.2113.4N127 F128 N421 E425N127-R131 WeakPolarHBondContact O-CB 3.38Å; N127-R131 PolarHBondContact O-N 3.23Å; F128-R131 PolarHBondContact O-N 3.41Å; R131-N421 PolarHBondContact NH1-OD1 2.81Å; R131-E425 IonicContact CZ-OE1 3.78Å; R131-E425 IonicContact NH1-OE1 2.75Å; R131-E425 PolarHBondContact NH1-OE1 3.23Å; R131-E425 IonicContact NH2-OE1 3.98Å; R131-E425 PolarHBondContact NH2-OE1 3.41Å
132H97.3Very high96.5Very high68 Ų6828 Ų2832%0.31513%0.134SC..Hα-helixtrans-97.4-22.8-170.6-67.5-72.5000114.4F128 H130 Q450F128-H132 AromaticContact CD2-CD2 3.38Å; F128-H132 WeakPolarHBondContact CD2-CD2 3.24Å; F128-H132 AromaticContact CD2-NE2 3.7Å; F128-H132 AromaticContact CE2-CD2 3.35Å; F128-H132 WeakPolarHBondContact CE2-CD2 3.37Å; F128-H132 AromaticContact CE2-NE2 3.57Å; F128-H132 AromaticContact CG-CD2 3.93Å; F128-H132 AromaticContact CZ-CD2 3.89Å; F128-H132 PolarHBondContact O-CD2 3.1Å; F128-H132 VanDerWaalsContact O-CD2 3.24Å; F128-H132 PolarHBondContact O-N 3.17Å; H130-H132 PolarHBondContact O-N 3.3Å; H132-Q450 PolarHBondContact CE1-OE1 2.74Å
133F98Very high95.6Very high5 Ų528 Ų282%0.02213%0.134CC..Hα-helixtrans-134.77.3-174.8-37.9-71.8000114.5L97 L100 E101 A104 R112 F128 Y129 V135 I446L97-F133 HydrophobicContact CB-CZ 4.15Å; L97-F133 HydrophobicContact CD2-CE2 3.99Å; L97-F133 HydrophobicContact CD2-CZ 4.17Å; L100-F133 HydrophobicContact CB-CB 4.01Å; L100-F133 HydrophobicContact CB-CD1 3.8Å; L100-F133 HydrophobicContact CB-CD2 3.93Å; L100-F133 HydrophobicContact CB-CE1 4.26Å; L100-F133 HydrophobicContact CB-CE2 4.38Å; L100-F133 HydrophobicContact CB-CG 3.62Å; L100-F133 HydrophobicContact CD1-CD2 4.26Å; L100-F133 HydrophobicContact CD2-CB 4.45Å; E101-F133 HydrophobicContact CB-CD1 4.24Å; E101-F133 HydrophobicContact CB-CE1 3.98Å; A104-F133 HydrophobicContact CB-CB 4.49Å; R112-F133 PolarHBondContact NE-O 2.97Å; R112-F133 PolarHBondContact NH2-O 2.88Å; F128-F133 HydrophobicContact CD1-CE2 4.45Å; F128-F133 HydrophobicContact CE1-CE2 4.08Å; F128-F133 HydrophobicContact CE1-CZ 4.35Å; Y129-F133 AromaticContact CD1-CD2 3.97Å; Y129-F133 HydrophobicContact CD1-CD2 3.97Å; Y129-F133 HydrophobicContact CD1-CE2 4.02Å; Y129-F133 PolarHBondContact O-N 3.16Å; Y129-F133 VanDerWaalsContact O-N 3.12Å; F133-V135 HydrophobicContact CB-CG1 4.04Å; F133-V135 PolarHBondContact O-N 3.25Å; F133-I446 HydrophobicContact CE1-CD1 4.3Å; F133-I446 HydrophobicContact CZ-CG2 4.24Å
134D97.4Very high95Very high102 Ų10226.1 Ų26.155%0.54513%0.126SC..  trans49.556.3177.617452.8000111R112 H130R112-D134 IonicContact CZ-OD2 3.97Å; R112-D134 VanDerWaalsContact NH2-CB 3.3Å; R112-D134 VanDerWaalsContact NH2-CG 3.33Å; R112-D134 PolarHBondContact NH2-O 3.5Å; R112-D134 IonicContact NH2-OD2 2.72Å; R112-D134 PolarHBondContact NH2-OD2 3.36Å; H130-D134 WeakPolarHBondContact O-CA 3.42Å; H130-D134 PolarHBondContact O-N 3.12Å
135V98.2Very high94.4Very high4 Ų425.8 Ų25.82%0.02413%0.128CC..  trans-78.9127.7-174.3-60.80000111.3L100 R112 V114 F133 R137 V138 V158L100-V135 HydrophobicContact CD2-CG1 3.97Å; R112-V135 HydrophobicContact CB-CG1 4.4Å; R112-V135 CarbonylContact O-C 3.58Å; R112-V135 WeakPolarHBondContact O-CA 3.45Å; R112-V135 WeakPolarHBondContact O-CB 3.36Å; V114-V135 HydrophobicContact CG2-CB 3.94Å; V114-V135 HydrophobicContact CG2-CG1 3.72Å; V114-V135 HydrophobicContact CG2-CG2 3.84Å; F133-V135 HydrophobicContact CB-CG1 4.04Å; F133-V135 PolarHBondContact O-N 3.25Å; V135-R137 VanDerWaalsContact C-N 3.31Å; V135-R137 PolarHBondContact O-N 2.83Å; V135-V138 HydrophobicContact CG2-CG2 4.44Å; V135-V158 HydrophobicContact CG2-CG1 4.19Å; V135-V158 HydrophobicContact CG2-CG2 4.23Å; V135-V158 WeakPolarHBondContact O-CG1 3.47Å
136A98.2Very high93.9Very high35 Ų3527.9 Ų27.929%0.28914%0.138SC..SBendtrans-80.1-12.7-179.200000113.1E111 R112 P159E111-A136 HydrophobicContact CB-CB 3.95Å; E111-A136 HydrophobicContact CG-CB 3.85Å; R112-A136 PolarHBondContact O-N 2.86Å; A136-P159 WeakPolarHBondContact O-CD 3.08Å; A136-P159 WeakPolarHBondContact O-CG 3.36Å
137R98.4Very high93.3Very high14 Ų1434 Ų345%0.05317%0.167CC..EExtended strand (participates in β ladder)trans-160152.7-178.7-147.3178.2-67.4-167.6-5.1113.1E2 E111 H113 V114 V135 P159 E161E2-R137 IonicContact OE1-CZ 3.4Å; E2-R137 IonicContact OE1-NH1 2.71Å; E2-R137 PolarHBondContact OE1-NH1 2.88Å; E2-R137 IonicContact OE1-NH2 3.19Å; E2-R137 IonicContact OE2-CZ 3.89Å; E2-R137 IonicContact OE2-NH1 3.28Å; E2-R137 PolarHBondContact OE2-NH1 3.39Å; E2-R137 IonicContact OE2-NH2 2.76Å; E2-R137 PolarHBondContact OE2-NH2 2.65Å; E111-R137 IonicContact OE2-NH2 3.58Å; H113-R137 CarbonylContact C-O 3.56Å; H113-R137 WeakPolarHBondContact CA-O 3.41Å; H113-R137 HydrophobicContact CB-CB 4.03Å; H113-R137 WeakPolarHBondContact CD2-CB 3.27Å; H113-R137 PolarHBondContact CE1-NE 3.24Å; H113-R137 VanDerWaalsContact CE1-NE 3.32Å; H113-R137 PolarHBondContact NE2-NE 2.78Å; V114-R137 PolarHBondContact N-O 2.98Å; V135-R137 VanDerWaalsContact C-N 3.31Å; V135-R137 PolarHBondContact O-N 2.83Å; R137-P159 VanDerWaalsContact CA-O 3.23Å; R137-P159 WeakPolarHBondContact CA-O 3.22Å; R137-P159 VanDerWaalsContact CG-O 3.27Å; R137-P159 WeakPolarHBondContact CG-O 3.32Å; R137-E161 WeakPolarHBondContact CD-OE2 3.38Å; R137-E161 HydrophobicContact CG-CB 4.12Å; R137-E161 IonicContact CZ-OE2 2.74Å; R137-E161 IonicContact NE-OE2 2.71Å; R137-E161 IonicContact NH1-OE2 2.72Å; R137-E161 PolarHBondContact NH1-OE2 3.26Å
138V98.5Very high92.9Very high0 Ų034 Ų340%017%0.166CC..EExtended strand (participates in β ladder)trans-124129.3165.3-178.30000111.1V114 A120 I126 V135 L140 V158 P159 L160 E161V114-V138 HydrophobicContact CB-CB 4.33Å; V114-V138 HydrophobicContact CB-CG1 4.13Å; V114-V138 HydrophobicContact CB-CG2 4.03Å; V114-V138 HydrophobicContact CG1-CG1 4.34Å; V114-V138 HydrophobicContact CG2-CG2 4.02Å; A120-V138 HydrophobicContact CB-CG1 3.79Å; I126-V138 HydrophobicContact CD1-CG1 4.38Å; I126-V138 HydrophobicContact CG1-CG1 4.23Å; I126-V138 HydrophobicContact CG1-CG2 4.23Å; I126-V138 HydrophobicContact CG2-CG2 3.97Å; V135-V138 HydrophobicContact CG2-CG2 4.44Å; V138-L140 HydrophobicContact CG1-CD2 4.33Å; V138-V158 HydrophobicContact CG2-CB 4.42Å; V138-V158 HydrophobicContact CG2-CG1 3.94Å; V138-P159 PolarHBondContact N-O 3.31Å; V138-P159 VanDerWaalsContact N-O 3.08Å; V138-L160 HydrophobicContact CB-CD2 4.04Å; V138-E161 PolarHBondContact O-N 2.87Å
139V97.9Very high92.6Very high1 Ų134.4 Ų34.41%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-88.2104.5173.8-171.20000109.3V114 V116 E161 F163 K270V114-V139 WeakPolarHBondContact O-CB 3.38Å; V114-V139 WeakPolarHBondContact O-CG2 3.49Å; V114-V139 PolarHBondContact O-N 2.94Å; V116-V139 HydrophobicContact CB-CB 4.49Å; V116-V139 HydrophobicContact CB-CG1 4.13Å; V139-E161 HydrophobicContact CG2-CB 4.39Å; V139-E161 HydrophobicContact CG2-CG 4.43Å; V139-E161 WeakPolarHBondContact CG2-OE1 3.49Å; V139-F163 HydrophobicContact CG1-CD2 4.45Å; V139-F163 HydrophobicContact CG1-CE2 3.8Å; V139-F163 HydrophobicContact CG1-CZ 4.27Å; V139-K270 HydrophobicContact CG1-CD 4.19Å
140L95.2Very high92.3Very high3 Ų337.6 Ų37.62%0.01618%0.182CC..  trans-69.2137.5-175.9-66.8-173.7000112.6I126 V138 L144 V149 L152 L160 E161 V162I126-L140 HydrophobicContact CD1-CD2 4.16Å; V138-L140 HydrophobicContact CG1-CD2 4.33Å; L140-L144 HydrophobicContact CB-CD1 4Å; L140-L144 HydrophobicContact CD1-CD1 4.31Å; L140-L144 HydrophobicContact CD2-CD1 4.13Å; L140-L144 HydrophobicContact CG-CD1 4.38Å; L140-V149 HydrophobicContact CD1-CB 4.4Å; L140-V149 HydrophobicContact CD1-CG1 4.16Å; L140-V149 HydrophobicContact CD1-CG2 3.97Å; L140-L152 HydrophobicContact CD1-CD1 4.24Å; L140-L152 HydrophobicContact CD2-CD1 3.86Å; L140-L160 HydrophobicContact CD1-CB 4.32Å; L140-L160 HydrophobicContact CD1-CD1 4.09Å; L140-L160 HydrophobicContact CD2-CD2 4.35Å; L140-L160 HydrophobicContact CG-CB 4.45Å; L140-E161 PolarHBondContact N-O 3.38Å; L140-V162 HydrophobicContact CD1-CG1 4.17Å
141P90.8Very high92Very high3 Ų336 Ų362%0.01918%0.175CC..  trans-60.2138170.3-29.339.5000113.6V116 A120 T121 V143 L144V116-P141 VanDerWaalsContact CG2-CA 3.49Å; V116-P141 HydrophobicContact CG2-CB 4.01Å; V116-P141 HydrophobicContact CG2-CG 3.83Å; A120-P141 WeakPolarHBondContact O-CD 3.11Å; T121-P141 HydrophobicContact CG2-CB 4.18Å; T121-P141 HydrophobicContact CG2-CG 3.8Å; P141-V143 HydrophobicContact CB-CG2 3.48Å; P141-V143 VanDerWaalsContact CB-CG2 3.48Å; P141-V143 PolarHBondContact O-N 3.21Å; P141-L144 PolarHBondContact O-N 2.92Å; P141-L144 VanDerWaalsContact O-N 3.14Å
142R84.9Confident91.9Very high24 Ų2430.1 Ų30.19%0.09115%0.153CC..THydrogen-bonded Turntrans-63.4-14.9-173.6-50176.4-157.5-131.7-2.9114.4L144 F163 S167 L168 E173 E272R142-L144 PolarHBondContact O-N 2.95Å; R142-F163 HydrophobicContact CG-CB 4.07Å; R142-F163 HydrophobicContact CG-CD2 3.6Å; R142-F163 HydrophobicContact CG-CE2 4.31Å; R142-F163 HydrophobicContact CG-CG 3.99Å; R142-F163 VanDerWaalsContact NH2-CE1 3.26Å; R142-S167 PolarHBondContact NH1-O 2.84Å; R142-L168 HydrophobicContact CB-CD1 3.78Å; R142-E173 IonicContact CZ-OE1 3.49Å; R142-E173 IonicContact NE-OE1 2.88Å; R142-E173 PolarHBondContact NE-OE1 2.76Å; R142-E173 VanDerWaalsContact NE-OE1 3.07Å; R142-E173 IonicContact NH2-OE1 2.71Å; R142-E272 VanDerWaalsContact NH2-CG 3.29Å
143V75.9Confident91.9Very high2 Ų228.3 Ų28.31%0.01215%0.149CC..THydrogen-bonded Turntrans-73.7-7.8177.6-79.40000114.2P141 I170 Q393 A498P141-V143 HydrophobicContact CB-CG2 3.48Å; P141-V143 VanDerWaalsContact CB-CG2 3.48Å; P141-V143 PolarHBondContact O-N 3.21Å; V143-I170 HydrophobicContact CG1-CD1 4.33Å; V143-I170 WeakPolarHBondContact CG1-O 3.09Å; V143-Q393 VanDerWaalsContact C-NE2 3.31Å; V143-Q393 PolarHBondContact O-NE2 2.93Å; V143-A498 HydrophobicContact CB-CB 3.44Å; V143-A498 VanDerWaalsContact CB-CB 3.44Å; V143-A498 HydrophobicContact CG1-CB 3.55Å; V143-A498 HydrophobicContact CG2-CB 4.33Å
144L84.6Confident91.8Very high14 Ų1438.1 Ų38.17%0.07319%0.187CC..SBendtrans-85.4129.5177.3-71.4161.7000111.1T121 L140 P141 R142 Q148 V149 L152 Q393T121-L144 HydrophobicContact CG2-CD1 4.45Å; L140-L144 HydrophobicContact CB-CD1 4Å; L140-L144 HydrophobicContact CD1-CD1 4.31Å; L140-L144 HydrophobicContact CD2-CD1 4.13Å; L140-L144 HydrophobicContact CG-CD1 4.38Å; P141-L144 PolarHBondContact O-N 2.92Å; P141-L144 VanDerWaalsContact O-N 3.14Å; R142-L144 PolarHBondContact O-N 2.95Å; L144-Q148 HydrophobicContact CB-CB 4.41Å; L144-Q148 HydrophobicContact CD2-CB 3.78Å; L144-Q148 HydrophobicContact CD2-CG 4.43Å; L144-V149 HydrophobicContact CB-CG2 4.02Å; L144-L152 HydrophobicContact CD1-CD1 4.02Å; L144-Q393 HydrophobicContact CD2-CB 3.93Å; L144-Q393 HydrophobicContact CD2-CG 3.63Å
145S84.8Confident91.6Very high30 Ų3035.9 Ų35.921%0.2118%0.176CC..  trans-67.2158171.365.50000112.2H147 Q148 V149S145-H147 PolarHBondContact O-N 3.47Å; S145-H147 VanDerWaalsContact O-N 3.14Å; S145-Q148 PolarHBondContact O-N 2.99Å; S145-Q148 WeakPolarHBondContact OG-CG 3.46Å; S145-Q148 PolarHBondContact OG-N 3.5Å; S145-Q148 PolarHBondContact OG-OE1 3.22Å; S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 3.43Å
146I85.2Confident91.5Very high44 Ų4436.3 Ų36.323%0.22618%0.179CC..Hα-helixtrans-56.5-30.2175-172.957.6000112.7K150 E260 L261I146-K150 HydrophobicContact CD1-CG 4.45Å; I146-K150 HydrophobicContact CG1-CD 4.25Å; I146-K150 VanDerWaalsContact O-CB 3.28Å; I146-K150 WeakPolarHBondContact O-CB 3.4Å; I146-K150 VanDerWaalsContact O-CG 3.28Å; I146-K150 WeakPolarHBondContact O-CG 3.5Å; I146-K150 PolarHBondContact O-N 3.36Å; I146-E260 HydrophobicContact CD1-CB 4.16Å; I146-E260 HydrophobicContact CG1-CB 4.21Å; I146-L261 HydrophobicContact CD1-CD2 3.69Å; I146-L261 HydrophobicContact CD1-CG 4.3Å
147H86.4Confident91.2Very high130 Ų13038.5 Ų38.560%0.60219%0.19SC*.Hα-helixtrans-65.2-47.8172.4-179.6-86.7000111.9S145 K150 Q151S145-H147 PolarHBondContact O-N 3.47Å; S145-H147 VanDerWaalsContact O-N 3.14Å; H147-K150 PolarHBondContact O-N 3.04Å; H147-Q151 WeakPolarHBondContact O-CB 3.27Å; H147-Q151 PolarHBondContact O-N 3.38Å
148Q89.1Confident91.1Very high30 Ų3038 Ų3814%0.1419%0.189CC..Hα-helixtrans-65.8-40.8178-68.3156.6-50.800111.4L144 S145 Q151 L152 Q393L144-Q148 HydrophobicContact CB-CB 4.41Å; L144-Q148 HydrophobicContact CD2-CB 3.78Å; L144-Q148 HydrophobicContact CD2-CG 4.43Å; S145-Q148 PolarHBondContact O-N 2.99Å; S145-Q148 WeakPolarHBondContact OG-CG 3.46Å; S145-Q148 PolarHBondContact OG-N 3.5Å; S145-Q148 PolarHBondContact OG-OE1 3.22Å; Q148-Q151 WeakPolarHBondContact O-CB 3.15Å; Q148-Q151 PolarHBondContact O-N 3.22Å; Q148-Q151 VanDerWaalsContact O-N 3.16Å; Q148-L152 WeakPolarHBondContact O-CG 3.42Å; Q148-L152 PolarHBondContact O-N 3.32Å; Q148-Q393 VanDerWaalsContact NE2-CB 3.25Å; Q148-Q393 PolarHBondContact NE2-O 2.96Å
149V91.3Very high91.1Very high9 Ų941 Ų416%0.05521%0.208CC..Hα-helixtrans-58.1-49173172.30000111.3L140 L144 S145 Q151 L152 A153 V162 L261 I266L140-V149 HydrophobicContact CD1-CB 4.4Å; L140-V149 HydrophobicContact CD1-CG1 4.16Å; L140-V149 HydrophobicContact CD1-CG2 3.97Å; L144-V149 HydrophobicContact CB-CG2 4.02Å; S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 3.43Å; V149-Q151 VanDerWaalsContact C-N 3.28Å; V149-Q151 PolarHBondContact O-N 3.05Å; V149-L152 PolarHBondContact O-N 2.87Å; V149-A153 WeakPolarHBondContact O-CB 3.22Å; V149-A153 PolarHBondContact O-N 2.85Å; V149-V162 HydrophobicContact CG1-CG1 3.98Å; V149-V162 HydrophobicContact CG2-CG1 4.49Å; V149-L261 HydrophobicContact CG1-CD2 4.29Å; V149-I266 HydrophobicContact CG1-CD1 3.7Å; V149-I266 HydrophobicContact CG1-CG1 4.28Å
150K91.8Very high91.1Very high71 Ų7141.2 Ų41.231%0.30921%0.209SC..Hα-helixtrans-61.1-34.4174.3-81.8171.4167.8178.90113.2I146 H147 R154 E260 A264I146-K150 HydrophobicContact CD1-CG 4.45Å; I146-K150 HydrophobicContact CG1-CD 4.25Å; I146-K150 VanDerWaalsContact O-CB 3.28Å; I146-K150 WeakPolarHBondContact O-CB 3.4Å; I146-K150 VanDerWaalsContact O-CG 3.28Å; I146-K150 WeakPolarHBondContact O-CG 3.5Å; I146-K150 PolarHBondContact O-N 3.36Å; H147-K150 PolarHBondContact O-N 3.04Å; K150-R154 WeakPolarHBondContact O-CG 3.36Å; K150-R154 PolarHBondContact O-N 2.9Å; K150-E260 IonicContact NZ-OE2 3.19Å; K150-E260 PolarHBondContact NZ-OE2 3.22Å; K150-A264 HydrophobicContact CG-CB 3.89Å
151Q92.3Very high91.3Very high40 Ų4041.1 Ų41.119%0.18721%0.209CC..Hα-helixtrans-69.7-49.7178.2-163.7-156-93.900110.6H147 Q148 V149 A153 R154 V155 S395H147-Q151 WeakPolarHBondContact O-CB 3.27Å; H147-Q151 PolarHBondContact O-N 3.38Å; Q148-Q151 WeakPolarHBondContact O-CB 3.15Å; Q148-Q151 PolarHBondContact O-N 3.22Å; Q148-Q151 VanDerWaalsContact O-N 3.16Å; V149-Q151 VanDerWaalsContact C-N 3.28Å; V149-Q151 PolarHBondContact O-N 3.05Å; Q151-A153 PolarHBondContact O-N 3.26Å; Q151-R154 WeakPolarHBondContact O-CB 3.32Å; Q151-R154 PolarHBondContact O-N 3Å; Q151-V155 WeakPolarHBondContact O-CG2 3.49Å; Q151-V155 PolarHBondContact O-N 3.29Å; Q151-S395 PolarHBondContact NE2-OG 2.98Å
152L94.8Very high91.5Very high4 Ų441.5 Ų41.52%0.02121%0.211CC..Hα-helixtrans-58.2-49176.7-67.2174.4000111.1I126 L140 L144 Q148 V149 R154 V155 T156 L160I126-L152 HydrophobicContact CD1-CD1 4.4Å; I126-L152 HydrophobicContact CD1-CD2 4.41Å; L140-L152 HydrophobicContact CD1-CD1 4.24Å; L140-L152 HydrophobicContact CD2-CD1 3.86Å; L144-L152 HydrophobicContact CD1-CD1 4.02Å; Q148-L152 WeakPolarHBondContact O-CG 3.42Å; Q148-L152 PolarHBondContact O-N 3.32Å; V149-L152 PolarHBondContact O-N 2.87Å; L152-R154 PolarHBondContact O-N 2.87Å; L152-V155 WeakPolarHBondContact O-CG2 3.33Å; L152-V155 PolarHBondContact O-N 3.21Å; L152-T156 HydrophobicContact CD2-CG2 4.5Å; L152-T156 PolarHBondContact O-N 3.16Å; L152-T156 PolarHBondContact O-OG1 3.04Å; L152-L160 HydrophobicContact CB-CD1 3.71Å
153A95.7Very high91.9Very high29 Ų2941 Ų4124%0.2421%0.21CC..Hα-helixtrans-62.1-11.7-179.600000115V149 Q151 L160 A264 I266V149-A153 WeakPolarHBondContact O-CB 3.22Å; V149-A153 PolarHBondContact O-N 2.85Å; Q151-A153 PolarHBondContact O-N 3.26Å; A153-L160 HydrophobicContact CB-CD1 3.98Å; A153-A264 HydrophobicContact CB-CB 4.49Å; A153-A264 VanDerWaalsContact CB-O 3.3Å; A153-A264 WeakPolarHBondContact CB-O 3.36Å; A153-I266 HydrophobicContact CB-CD1 4.16Å
154R95.5Very high92.7Very high212 Ų21240.9 Ų40.980%0.821%0.209SC*.Hα-helixtrans-93.6-21173.3-78.8172.149.8-164.5-11.3114.4K150 Q151 L152K150-R154 WeakPolarHBondContact O-CG 3.36Å; K150-R154 PolarHBondContact O-N 2.9Å; Q151-R154 WeakPolarHBondContact O-CB 3.32Å; Q151-R154 PolarHBondContact O-N 3Å; L152-R154 PolarHBondContact O-N 2.87Å
155V94.4Very high92.9Very high54 Ų5440.2 Ų40.233%0.32721%0.206SC..Hα-helixtrans-116.5-31.7-169.5-580000112.6E123 Q151 L152E123-V155 HydrophobicContact CB-CG2 3.95Å; E123-V155 VanDerWaalsContact CD-CG2 3.42Å; E123-V155 HydrophobicContact CG-CB 4.32Å; E123-V155 HydrophobicContact CG-CG2 3.76Å; E123-V155 VanDerWaalsContact OE2-CG2 3.26Å; E123-V155 WeakPolarHBondContact OE2-CG2 3.31Å; Q151-V155 WeakPolarHBondContact O-CG2 3.49Å; Q151-V155 PolarHBondContact O-N 3.29Å; L152-V155 WeakPolarHBondContact O-CG2 3.33Å; L152-V155 PolarHBondContact O-N 3.21Å
156T94.9Very high93.1Very high13 Ų1338.8 Ų38.88%0.0820%0.196CC..  trans-83.4134.4177.861.50000111.3E123 I126 L152 V158E123-T156 HydrophobicContact CB-CG2 4.4Å; E123-T156 HydrophobicContact CG-CG2 4.33Å; I126-T156 HydrophobicContact CB-CG2 3.84Å; I126-T156 HydrophobicContact CD1-CG2 3.88Å; I126-T156 HydrophobicContact CG1-CG2 4.45Å; I126-T156 HydrophobicContact CG2-CG2 3.64Å; L152-T156 HydrophobicContact CD2-CG2 4.5Å; L152-T156 PolarHBondContact O-N 3.16Å; L152-T156 PolarHBondContact O-OG1 3.04Å; T156-V158 PolarHBondContact O-N 3.49Å
157P92Very high93Very high81 Ų8137.4 Ų37.453%0.52619%0.19SC..SBendtrans-73.3-16.4175.131-36000113.3N127 H130N127-P157 WeakPolarHBondContact OD1-CD 3.25Å; H130-P157 WeakPolarHBondContact ND1-CG 3.39Å
158V97.6Very high92.8Very high5 Ų532 Ų323%0.0317%0.165CC..SBendtrans-82133.6-175.8-172.80000111.2I126 H130 V135 V138 T156 L160I126-V158 HydrophobicContact CG2-CB 4.07Å; I126-V158 HydrophobicContact CG2-CG2 3.96Å; H130-V158 HydrophobicContact CB-CG2 3.58Å; V135-V158 HydrophobicContact CG2-CG1 4.19Å; V135-V158 HydrophobicContact CG2-CG2 4.23Å; V135-V158 WeakPolarHBondContact O-CG1 3.47Å; V138-V158 HydrophobicContact CG2-CB 4.42Å; V138-V158 HydrophobicContact CG2-CG1 3.94Å; T156-V158 PolarHBondContact O-N 3.49Å; V158-L160 WeakPolarHBondContact O-CD2 3.44Å; V158-L160 PolarHBondContact O-N 2.96Å
159P98.1Very high92.7Very high63 Ų6332 Ų3241%0.40917%0.168SC..PPolyproline II helixtrans-54.6129.3170-26.935.4000113.1A136 R137 V138 A267A136-P159 WeakPolarHBondContact O-CD 3.08Å; A136-P159 WeakPolarHBondContact O-CG 3.36Å; R137-P159 VanDerWaalsContact CA-O 3.23Å; R137-P159 WeakPolarHBondContact CA-O 3.22Å; R137-P159 VanDerWaalsContact CG-O 3.27Å; R137-P159 WeakPolarHBondContact CG-O 3.32Å; V138-P159 PolarHBondContact N-O 3.31Å; V138-P159 VanDerWaalsContact N-O 3.08Å; P159-A267 HydrophobicContact CB-CB 3.66Å
160L98.4Very high92.3Very high5 Ų531.7 Ų31.73%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-100.6145.1-176.7-54.9-176.9000112.3I126 V138 L140 L152 A153 V158 I266 A267I126-L160 HydrophobicContact CD1-CD2 4.24Å; V138-L160 HydrophobicContact CB-CD2 4.04Å; L140-L160 HydrophobicContact CD1-CB 4.32Å; L140-L160 HydrophobicContact CD1-CD1 4.09Å; L140-L160 HydrophobicContact CD2-CD2 4.35Å; L140-L160 HydrophobicContact CG-CB 4.45Å; L152-L160 HydrophobicContact CB-CD1 3.71Å; A153-L160 HydrophobicContact CB-CD1 3.98Å; V158-L160 WeakPolarHBondContact O-CD2 3.44Å; V158-L160 PolarHBondContact O-N 2.96Å; L160-I266 HydrophobicContact CB-CD1 4.02Å; L160-A267 WeakPolarHBondContact O-CB 2.88Å; L160-A267 PolarHBondContact O-N 2.94Å
161E98.3Very high92.1Very high0 Ų028.4 Ų28.40%015%0.152CC..EExtended strand (participates in β ladder)trans-123.2137.3176.5179.6174117.500110.1L4 R137 V138 V139 L140 S268 K270L4-E161 VanDerWaalsContact CD2-OE1 3.29Å; L4-E161 WeakPolarHBondContact CD2-OE1 3.38Å; R137-E161 WeakPolarHBondContact CD-OE2 3.38Å; R137-E161 HydrophobicContact CG-CB 4.12Å; R137-E161 IonicContact CZ-OE2 2.74Å; R137-E161 IonicContact NE-OE2 2.71Å; R137-E161 IonicContact NH1-OE2 2.72Å; R137-E161 PolarHBondContact NH1-OE2 3.26Å; V138-E161 PolarHBondContact O-N 2.87Å; V139-E161 HydrophobicContact CG2-CB 4.39Å; V139-E161 HydrophobicContact CG2-CG 4.43Å; V139-E161 WeakPolarHBondContact CG2-OE1 3.49Å; L140-E161 PolarHBondContact N-O 3.38Å; E161-S268 WeakPolarHBondContact CA-O 3.28Å; E161-S268 WeakPolarHBondContact OE2-CB 3.31Å; E161-K270 HydrophobicContact CG-CB 4.18Å; E161-K270 VanDerWaalsContact OE1-CD 3.28Å; E161-K270 WeakPolarHBondContact OE1-CD 3.47Å; E161-K270 WeakPolarHBondContact OE1-CE 3.37Å; E161-K270 IonicContact OE1-NZ 3.67Å; E161-K270 PolarHBondContact OE1-NZ 2.55Å
162V95.4Very high92Very high12 Ų1226.5 Ų26.57%0.07314%0.143CC..EExtended strand (participates in β ladder)trans-123.3153.1-179.8-560000110.9L140 V149 L261 I266 S268 V269 K270L140-V162 HydrophobicContact CD1-CG1 4.17Å; V149-V162 HydrophobicContact CG1-CG1 3.98Å; V149-V162 HydrophobicContact CG2-CG1 4.49Å; V162-L261 HydrophobicContact CG2-CD1 4.08Å; V162-L261 HydrophobicContact CG2-CD2 4.07Å; V162-I266 HydrophobicContact CG1-CD1 4.39Å; V162-I266 HydrophobicContact CG1-CG2 4.13Å; V162-I266 HydrophobicContact CG2-CG2 4Å; V162-S268 PolarHBondContact N-O 2.77Å; V162-V269 HydrophobicContact CG2-CG1 4.02Å; V162-K270 PolarHBondContact O-N 3.01Å
163F94Very high91.8Very high13 Ų1326.9 Ų26.96%0.05715%0.145CC..EExtended strand (participates in β ladder)trans-72.7129.2166.4-73.3-87.6000110.3V116 V139 R142 L252 K270 E272V116-F163 HydrophobicContact CB-CE2 4.01Å; V116-F163 HydrophobicContact CG1-CE2 4.02Å; V116-F163 HydrophobicContact CG1-CZ 4.14Å; V116-F163 HydrophobicContact CG2-CE2 4.03Å; V139-F163 HydrophobicContact CG1-CD2 4.45Å; V139-F163 HydrophobicContact CG1-CE2 3.8Å; V139-F163 HydrophobicContact CG1-CZ 4.27Å; R142-F163 HydrophobicContact CG-CB 4.07Å; R142-F163 HydrophobicContact CG-CD2 3.6Å; R142-F163 HydrophobicContact CG-CE2 4.31Å; R142-F163 HydrophobicContact CG-CG 3.99Å; R142-F163 VanDerWaalsContact NH2-CE1 3.26Å; F163-L252 HydrophobicContact CB-CD2 3.8Å; F163-L252 WeakPolarHBondContact O-CD2 3.48Å; F163-K270 CarbonylContact C-O 3.42Å; F163-K270 VanDerWaalsContact CA-O 3.29Å; F163-K270 WeakPolarHBondContact CA-O 3.26Å; F163-K270 HydrophobicContact CD1-CB 4.33Å; F163-K270 HydrophobicContact CD1-CD 4.27Å; F163-K270 HydrophobicContact CD1-CG 4.32Å; F163-K270 HydrophobicContact CE1-CD 3.7Å; F163-K270 HydrophobicContact CE1-CG 4.15Å; F163-K270 HydrophobicContact CZ-CD 3.9Å; F163-E272 HydrophobicContact CD1-CB 4.43Å; F163-E272 HydrophobicContact CE1-CG 4.42Å
164A91.9Very high91.7Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-94.9-40.8179.800000112.8T254 V269 K270 I271 W288A164-T254 WeakPolarHBondContact CA-OG1 3.15Å; A164-T254 PolarHBondContact O-N 3.03Å; A164-T254 PolarHBondContact O-OG1 2.85Å; A164-V269 HydrophobicContact CB-CB 3.83Å; A164-K270 PolarHBondContact N-O 2.71Å; A164-I271 HydrophobicContact CB-CD1 3.81Å; A164-W288 HydrophobicContact CB-CD2 4.03Å; A164-W288 HydrophobicContact CB-CE3 3.93Å; A164-W288 HydrophobicContact CB-CH2 3.42Å; A164-W288 VanDerWaalsContact CB-CH2 3.42Å; A164-W288 HydrophobicContact CB-CZ2 3.52Å; A164-W288 HydrophobicContact CB-CZ3 3.62Å; A164-W288 WeakPolarHBondContact O-CZ2 2.94Å
165F90.3Very high91.6Very high0 Ų015.7 Ų15.70%010%0.097CC..EExtended strand (participates in β ladder)trans-151.4153.6-175.4-175.7-98.8000113.1L252 N253 I271 E272 Y280 V284 W288 L312 M315F165-L252 CarbonylContact C-O 3.49Å; F165-L252 VanDerWaalsContact CA-O 3.27Å; F165-L252 WeakPolarHBondContact CA-O 3.31Å; F165-L252 WeakPolarHBondContact CD2-O 3.42Å; F165-N253 HydrophobicContact CD2-CB 3.89Å; F165-N253 HydrophobicContact CE2-CB 4.18Å; F165-I271 HydrophobicContact CB-CD1 3.91Å; F165-E272 PolarHBondContact O-N 2.67Å; F165-Y280 AromaticContact CE1-CE2 3.85Å; F165-Y280 HydrophobicContact CE1-CE2 3.85Å; F165-Y280 AromaticContact CE1-CZ 3.96Å; F165-V284 HydrophobicContact CB-CG1 4.25Å; F165-V284 HydrophobicContact CD1-CB 4.46Å; F165-V284 HydrophobicContact CD1-CG1 3.64Å; F165-V284 HydrophobicContact CD1-CG2 3.87Å; F165-V284 HydrophobicContact CE1-CG1 4.36Å; F165-V284 HydrophobicContact CE1-CG2 3.75Å; F165-V284 HydrophobicContact CG-CG1 4.14Å; F165-W288 HydrophobicContact CB-CZ2 4.46Å; F165-L312 HydrophobicContact CD1-CD2 4.32Å; F165-L312 HydrophobicContact CD2-CB 4.31Å; F165-L312 HydrophobicContact CD2-CD1 4.26Å; F165-L312 HydrophobicContact CD2-CD2 4.02Å; F165-L312 HydrophobicContact CD2-CG 4.43Å; F165-L312 HydrophobicContact CE1-CD2 4.27Å; F165-L312 HydrophobicContact CE2-CB 3.75Å; F165-L312 HydrophobicContact CE2-CD2 4Å; F165-L312 HydrophobicContact CE2-CG 4.29Å; F165-L312 HydrophobicContact CG-CD2 4.2Å; F165-L312 HydrophobicContact CZ-CB 4.23Å; F165-L312 HydrophobicContact CZ-CD2 4.12Å; F165-L312 WeakPolarHBondContact CZ-O 3.2Å; F165-M315 HydrophobicContact CE1-CB 4.13Å; F165-M315 HydrophobicContact CZ-CB 3.98Å
166G87.1Confident91.6Very high0 Ų014.1 Ų14.10%09%0.088CC..EExtended strand (participates in β ladder)trans113.7176.8168.500000113.5L168 L252G166-L168 PolarHBondContact O-N 2.67Å; G166-L252 PolarHBondContact N-O 2.78Å; G166-L252 WeakPolarHBondContact O-CB 3.2Å; G166-L252 PolarHBondContact O-N 3.36Å
167S83.8Confident91.7Very high15 Ų1513.5 Ų13.511%0.1058%0.084CC..EExtended strand (participates in β ladder)trans-46121.4-170.3-47.60000112.7R142 R276 E317R142-S167 PolarHBondContact NH1-O 2.84Å; S167-R276 PolarHBondContact OG-NH2 2.8Å; S167-E317 WeakPolarHBondContact CB-OE1 3.37Å; S167-E317 VanDerWaalsContact OG-CD 3.23Å; S167-E317 PolarHBondContact OG-OE1 3.14Å
168L82.3Confident91.9Very high16 Ų169.9 Ų9.98%0.0846%0.06CC..  trans-73.2133.7-177.1-175.557.9000110.6R142 G166 I170 E247 T250 L252R142-L168 HydrophobicContact CB-CD1 3.78Å; G166-L168 PolarHBondContact O-N 2.67Å; L168-I170 HydrophobicContact CD2-CD1 4.32Å; L168-E247 WeakPolarHBondContact CD2-OE2 3.05Å; L168-T250 HydrophobicContact CB-CG2 3.83Å; L168-T250 WeakPolarHBondContact CB-O 3.44Å; L168-T250 HydrophobicContact CD2-CG2 3.6Å; L168-T250 HydrophobicContact CG-CG2 4.37Å; L168-T250 PolarHBondContact N-O 3.23Å; L168-L252 HydrophobicContact CD1-CB 4.39Å
169C86.6Confident91.8Very high30 Ų309.8 Ų9.820%0.2036%0.06CC..  trans-101.5128.4160.9-173.50000107.7M171 E173C169-M171 PolarHBondContact SG-O 3.46Å; C169-E173 HydrophobicContact CB-CG 4.35Å
170I82.6Confident91.8Very high3 Ų36.9 Ų6.92%0.0154%0.041CC..  trans-104.9-12.3179.5-152.359.1000113.4V143 L168 E247 S497 A498 R499 F501V143-I170 HydrophobicContact CG1-CD1 4.33Å; V143-I170 WeakPolarHBondContact CG1-O 3.09Å; L168-I170 HydrophobicContact CD2-CD1 4.32Å; I170-E247 HydrophobicContact CB-CB 4.47Å; I170-E247 HydrophobicContact CB-CG 4.34Å; I170-E247 HydrophobicContact CG2-CB 3.8Å; I170-E247 HydrophobicContact CG2-CG 4.12Å; I170-S497 VanDerWaalsContact O-CA 3.31Å; I170-S497 WeakPolarHBondContact O-CA 3.35Å; I170-S497 WeakPolarHBondContact O-CB 3.47Å; I170-S497 PolarHBondContact O-OG 3.43Å; I170-A498 PolarHBondContact O-N 2.86Å; I170-R499 HydrophobicContact CD1-CG 3.93Å; I170-R499 VanDerWaalsContact CD1-NH2 3.33Å; I170-R499 HydrophobicContact CG1-CB 4.28Å; I170-R499 HydrophobicContact CG1-CG 3.65Å; I170-F501 HydrophobicContact CG2-CZ 4.23Å
171M89.3Confident91.8Very high1 Ų16.7 Ų6.71%0.0054%0.04CC..EExtended strand (participates in β ladder)trans-85.2147.4170.1-53.7-59.5173.800108.8C169 E173 C176 L178 C232 L246 A495 F501C169-M171 PolarHBondContact SG-O 3.46Å; M171-E173 PolarHBondContact O-N 3.33Å; M171-E173 VanDerWaalsContact O-N 3.16Å; M171-C176 HydrophobicContact CB-CB 3.94Å; M171-L178 HydrophobicContact CE-CD1 3.89Å; M171-C232 HydrophobicContact CE-CB 3.84Å; M171-L246 HydrophobicContact CE-CD1 4.2Å; M171-A495 HydrophobicContact CG-CB 4.23Å; M171-A495 HydrophobicContact SD-CB 3.78Å; M171-F501 HydrophobicContact CE-CE2 3.64Å; M171-F501 HydrophobicContact CE-CZ 3.52Å; M171-F501 HydrophobicContact SD-CE2 4.12Å; M171-F501 HydrophobicContact SD-CZ 4.12Å
172S89.9Confident91.7Very high0 Ų06.7 Ų6.70%04%0.04CC..EExtended strand (participates in β ladder)trans-62.9115173-157.40000109.6S119 G174 R175 L391 Y496S119-S172 WeakPolarHBondContact CB-OG 3.38Å; S119-S172 PolarHBondContact OG-OG 3.21Å; S172-G174 PolarHBondContact O-N 3.44Å; S172-R175 CarbonylContact O-C 3.57Å; S172-R175 PolarHBondContact O-N 2.79Å; S172-R175 VanDerWaalsContact O-N 3.08Å; S172-L391 WeakPolarHBondContact OG-CD2 3.29Å; S172-Y496 PolarHBondContact N-O 3.14Å
173E90.8Very high91.8Very high13 Ų136.4 Ų6.46%0.0614%0.038CC..EExtended strand (participates in β ladder)trans-60.8128.6-177.5-67.9108.3138.300110.6V116 Q117 S119 R142 C169 M171V116-E173 HydrophobicContact CB-CB 4.45Å; V116-E173 HydrophobicContact CG1-CB 3.88Å; V116-E173 HydrophobicContact CG1-CG 3.98Å; V116-E173 HydrophobicContact CG2-CB 4.15Å; V116-E173 HydrophobicContact CG2-CG 4.27Å; V116-E173 WeakPolarHBondContact CG2-OE2 2.99Å; Q117-E173 CarbonylContact C-O 3.54Å; Q117-E173 VanDerWaalsContact CA-O 3.28Å; Q117-E173 WeakPolarHBondContact CA-O 3.1Å; S119-E173 PolarHBondContact OG-O 2.95Å; R142-E173 IonicContact CZ-OE1 3.49Å; R142-E173 IonicContact NE-OE1 2.88Å; R142-E173 PolarHBondContact NE-OE1 2.76Å; R142-E173 VanDerWaalsContact NE-OE1 3.07Å; R142-E173 IonicContact NH2-OE1 2.71Å; C169-E173 HydrophobicContact CB-CG 4.35Å; M171-E173 PolarHBondContact O-N 3.33Å; M171-E173 VanDerWaalsContact O-N 3.16Å
174G92.7Very high91.8Very high2 Ų27.5 Ų7.52%0.0215%0.053CC..EExtended strand (participates in β ladder)trans100.8-46.5-170.300000113Q117 S172 C176 N188Q117-G174 WeakPolarHBondContact O-CA 3.44Å; S172-G174 PolarHBondContact O-N 3.44Å; G174-C176 VanDerWaalsContact C-N 3.34Å; G174-C176 PolarHBondContact O-N 2.71Å; G174-N188 WeakPolarHBondContact CA-OD1 3.3Å; G174-N188 VanDerWaalsContact O-CG 3.27Å; G174-N188 PolarHBondContact O-ND2 2.77Å; G174-N188 PolarHBondContact O-OD1 2.86Å
175R93.6Very high91.9Very high3 Ų38.9 Ų8.91%0.0116%0.06CC..EExtended strand (participates in β ladder)trans-96.351.8-178.3-52.4179.8-168.5166.412.1111.6S172 A390 D416 A435 Y496S172-R175 CarbonylContact O-C 3.57Å; S172-R175 PolarHBondContact O-N 2.79Å; S172-R175 VanDerWaalsContact O-N 3.08Å; R175-A390 PolarHBondContact NH1-O 3.45Å; R175-D416 IonicContact CZ-OD2 3.27Å; R175-D416 VanDerWaalsContact CZ-OD2 3.24Å; R175-D416 IonicContact NH1-OD2 3.53Å; R175-D416 PolarHBondContact NH1-OD2 3.45Å; R175-D416 IonicContact NH2-OD2 3.35Å; R175-D416 PolarHBondContact NH2-OD2 2.7Å; R175-A435 WeakPolarHBondContact CD-O 3.37Å; R175-A435 WeakPolarHBondContact CG-O 3.39Å; R175-A435 PolarHBondContact NE-O 3.44Å; R175-A435 VanDerWaalsContact NE-O 3.12Å; R175-Y496 HydrophobicContact CB-CD2 3.69Å; R175-Y496 HydrophobicContact CB-CE2 4.14Å; R175-Y496 PolarHBondContact O-N 3.41Å
176C94.6Very high92.1Very high21 Ų218.9 Ų8.914%0.1426%0.06CC..EExtended strand (participates in β ladder)trans-146.2105.8-175.3-177.10000113M171 G174 A495M171-C176 HydrophobicContact CB-CB 3.94Å; G174-C176 VanDerWaalsContact C-N 3.34Å; G174-C176 PolarHBondContact O-N 2.71Å; C176-A495 HydrophobicContact CB-CB 4.26Å
177Y96.5Very high92.3Very high0 Ų09.5 Ų9.50%06%0.064CC..  trans-109.84.8-170.6-43.9-46.9000113.5S179 S180 Y181 N188 V459 E460 L494 Y601Y177-S179 PolarHBondContact O-N 2.6Å; Y177-S179 VanDerWaalsContact O-N 3.11Å; Y177-S180 PolarHBondContact O-N 2.98Å; Y177-S180 PolarHBondContact O-OG 3.04Å; Y177-Y181 PolarHBondContact O-N 3.45Å; Y177-N188 WeakPolarHBondContact CE1-ND2 3.33Å; Y177-V459 HydrophobicContact CD2-CG2 3.53Å; Y177-V459 HydrophobicContact CE2-CG2 3.84Å; Y177-V459 HydrophobicContact CG-CG2 4.49Å; Y177-E460 HydrophobicContact CD1-CB 4.08Å; Y177-E460 HydrophobicContact CD1-CG 3.69Å; Y177-E460 VanDerWaalsContact CD1-OE1 3.29Å; Y177-E460 WeakPolarHBondContact CD1-OE1 3.4Å; Y177-E460 HydrophobicContact CE1-CG 4.04Å; Y177-E460 WeakPolarHBondContact CE1-OE1 3.2Å; Y177-E460 HydrophobicContact CG-CB 4.09Å; Y177-E460 HydrophobicContact CG-CG 4.21Å; Y177-L494 WeakPolarHBondContact CB-O 3.43Å; Y177-L494 VanDerWaalsContact CD2-O 3.23Å; Y177-L494 WeakPolarHBondContact CD2-O 3.49Å; Y177-L494 PolarHBondContact N-O 2.91Å; Y177-Y601 PolarHBondContact O-OH 2.78Å
178L96.6Very high92.7Very high5 Ų58.8 Ų8.83%0.0266%0.059CC..Hα-helixtrans-52.4-39.6-177.8-55.4177.9000112.9M171 Y181 L182 L231 L494 A495 F535 T542M171-L178 HydrophobicContact CE-CD1 3.89Å; L178-Y181 PolarHBondContact O-N 2.83Å; L178-L182 PolarHBondContact O-N 2.84Å; L178-L231 VanDerWaalsContact C-CD1 3.42Å; L178-L231 HydrophobicContact CB-CB 4.28Å; L178-L231 HydrophobicContact CB-CD1 3.87Å; L178-L231 WeakPolarHBondContact O-CD1 3.4Å; L178-L494 HydrophobicContact CD2-CB 3.63Å; L178-L494 HydrophobicContact CD2-CD1 4.02Å; L178-A495 HydrophobicContact CD1-CB 4.04Å; L178-A495 HydrophobicContact CD2-CB 3.98Å; L178-A495 HydrophobicContact CG-CB 3.81Å; L178-F535 HydrophobicContact CB-CE1 4.36Å; L178-F535 HydrophobicContact CB-CZ 4.23Å; L178-F535 HydrophobicContact CD2-CD1 4.08Å; L178-F535 HydrophobicContact CD2-CE1 3.59Å; L178-F535 HydrophobicContact CD2-CZ 3.99Å; L178-F535 HydrophobicContact CG-CE1 4.5Å; L178-T542 HydrophobicContact CD1-CG2 4.3Å; L178-T542 HydrophobicContact CD2-CG2 3.52Å
179S96.3Very high93Very high4 Ų48.7 Ų8.73%0.0286%0.059CC..Hα-helixtrans-64.2-45.9177-173.10000111.8Y177 Y181 L182 T183 E185 C193Y177-S179 PolarHBondContact O-N 2.6Å; Y177-S179 VanDerWaalsContact O-N 3.11Å; S179-Y181 VanDerWaalsContact C-N 3.33Å; S179-L182 PolarHBondContact O-N 3.16Å; S179-T183 VanDerWaalsContact O-CB 3.31Å; S179-T183 WeakPolarHBondContact O-CB 3.43Å; S179-T183 WeakPolarHBondContact O-CG2 3.39Å; S179-T183 PolarHBondContact O-N 3.39Å; S179-T183 PolarHBondContact O-OG1 2.9Å; S179-E185 CarbonylContact C-O 3.18Å; S179-E185 WeakPolarHBondContact CB-O 3.29Å; S179-E185 PolarHBondContact OG-O 3.17Å; S179-C193 VanDerWaalsContact CB-O 3.27Å; S179-C193 WeakPolarHBondContact CB-O 3.06Å; S179-C193 PolarHBondContact OG-O 3.27Å
180S97.3Very high93.1Very high2 Ų29.3 Ų9.31%0.0146%0.062CC..Hα-helixtrans-75.2-25.3-179.453.80000112.1Y177 G184 E185 E460 Y601 G607Y177-S180 PolarHBondContact O-N 2.98Å; Y177-S180 PolarHBondContact O-OG 3.04Å; S180-G184 WeakPolarHBondContact O-CA 3.24Å; S180-G184 PolarHBondContact O-N 2.93Å; S180-E185 WeakPolarHBondContact CA-O 3.27Å; S180-E185 PolarHBondContact N-O 3.42Å; S180-E185 VanDerWaalsContact N-O 3.08Å; S180-E460 WeakPolarHBondContact CB-OE2 3.43Å; S180-E460 WeakPolarHBondContact OG-CB 3.34Å; S180-E460 PolarHBondContact OG-OE2 2.95Å; S180-Y601 WeakPolarHBondContact O-CE1 3.45Å; S180-Y601 PolarHBondContact OG-OH 3.42Å; S180-G607 PolarHBondContact O-N 2.9Å; S180-G607 VanDerWaalsContact O-N 3.14Å
181Y97.9Very high93.2Very high0 Ų09.1 Ų9.10%06%0.061CC..Hα-helixtrans-63.8-39.3170.2178.9-106.4000111.7Y177 L178 S179 L494 V534 F535 G545 Y546 Y601 A606 G607 L608Y177-Y181 PolarHBondContact O-N 3.45Å; L178-Y181 PolarHBondContact O-N 2.83Å; S179-Y181 VanDerWaalsContact C-N 3.33Å; Y181-L494 HydrophobicContact CD1-CD1 3.55Å; Y181-L494 HydrophobicContact CD2-CD1 3.79Å; Y181-L494 HydrophobicContact CD2-CD2 4.06Å; Y181-L494 HydrophobicContact CE1-CD1 4.22Å; Y181-L494 HydrophobicContact CE2-CD1 4.41Å; Y181-L494 HydrophobicContact CG-CD1 3.33Å; Y181-L494 HydrophobicContact CG-CD2 4.13Å; Y181-L494 HydrophobicContact CG-CG 4.38Å; Y181-V534 VanDerWaalsContact CE1-O 3.23Å; Y181-V534 WeakPolarHBondContact CE1-O 3.41Å; Y181-F535 HydrophobicContact CD1-CD1 4.34Å; Y181-F535 AromaticContact CD1-CE1 3.9Å; Y181-F535 HydrophobicContact CD1-CE1 3.9Å; Y181-F535 HydrophobicContact CE1-CD1 4.41Å; Y181-F535 HydrophobicContact CE1-CE1 4.34Å; Y181-G545 PolarHBondContact OH-N 2.91Å; Y181-G545 VanDerWaalsContact OH-N 3.15Å; Y181-Y546 WeakPolarHBondContact OH-CD2 3.38Å; Y181-Y546 PolarHBondContact OH-N 2.87Å; Y181-Y601 WeakPolarHBondContact CA-OH 3.25Å; Y181-Y601 HydrophobicContact CD2-CE2 4.42Å; Y181-Y601 PolarHBondContact N-OH 3.25Å; Y181-A606 CarbonylContact O-C 3.57Å; Y181-G607 VanDerWaalsContact CE2-C 3.48Å; Y181-G607 WeakPolarHBondContact CE2-O 3.45Å; Y181-G607 CarbonylContact O-C 3.57Å; Y181-G607 PolarHBondContact O-N 2.82Å; Y181-L608 HydrophobicContact CD1-CB 4.21Å; Y181-L608 HydrophobicContact CD2-CB 4.24Å; Y181-L608 HydrophobicContact CE1-CB 3.64Å; Y181-L608 VanDerWaalsContact CE2-CA 3.46Å; Y181-L608 HydrophobicContact CE2-CB 3.7Å; Y181-L608 HydrophobicContact CG-CB 4.46Å; Y181-L608 VanDerWaalsContact O-CD2 3.3Å; Y181-L608 WeakPolarHBondContact O-CD2 3.47Å; Y181-L608 PolarHBondContact O-N 2.86Å
182L96.9Very high93.2Very high0 Ų09.3 Ų9.30%06%0.063CC..Hα-helixtrans-86.6-24.8175.1-10079000115.4L178 S179 N213 V215 I217 L231 V534 F535 A606 L608L178-L182 PolarHBondContact O-N 2.84Å; S179-L182 PolarHBondContact O-N 3.16Å; L182-N213 VanDerWaalsContact O-CB 3.32Å; L182-N213 WeakPolarHBondContact O-CB 3.45Å; L182-N213 PolarHBondContact O-ND2 2.88Å; L182-V215 HydrophobicContact CD2-CB 3.73Å; L182-V215 HydrophobicContact CD2-CG1 4.08Å; L182-V215 HydrophobicContact CD2-CG2 3.7Å; L182-V215 HydrophobicContact CG-CG2 4.17Å; L182-I217 HydrophobicContact CD2-CD1 4.13Å; L182-L231 HydrophobicContact CB-CD1 4.27Å; L182-L231 HydrophobicContact CD1-CD1 4.24Å; L182-L231 HydrophobicContact CD1-CD2 4.23Å; L182-L231 HydrophobicContact CD2-CD1 4.34Å; L182-L231 HydrophobicContact CD2-CD2 3.55Å; L182-L231 HydrophobicContact CG-CD2 4.42Å; L182-V534 HydrophobicContact CD1-CG1 3.99Å; L182-F535 HydrophobicContact CD1-CE1 4.17Å; L182-F535 HydrophobicContact CD1-CZ 4.09Å; L182-A606 VanDerWaalsContact C-CB 3.48Å; L182-A606 WeakPolarHBondContact O-CB 3.46Å; L182-L608 HydrophobicContact CG-CD1 4.37Å
183T96.6Very high93.2Very high6 Ų611.7 Ų11.74%0.0378%0.079CC..Hα-helixtrans-135.6-7.3-163.974.70000115.8S179 E185 F198 L212 N213S179-T183 VanDerWaalsContact O-CB 3.31Å; S179-T183 WeakPolarHBondContact O-CB 3.43Å; S179-T183 WeakPolarHBondContact O-CG2 3.39Å; S179-T183 PolarHBondContact O-N 3.39Å; S179-T183 PolarHBondContact O-OG1 2.9Å; T183-E185 PolarHBondContact O-N 2.9Å; T183-E185 PolarHBondContact OG1-N 2.9Å; T183-E185 PolarHBondContact OG1-O 3.3Å; T183-F198 HydrophobicContact CG2-CB 4.11Å; T183-F198 HydrophobicContact CG2-CD1 4.49Å; T183-F198 HydrophobicContact CG2-CD2 3.99Å; T183-F198 HydrophobicContact CG2-CE2 4.49Å; T183-F198 HydrophobicContact CG2-CG 3.97Å; T183-F198 VanDerWaalsContact O-CE2 3.32Å; T183-F198 WeakPolarHBondContact O-CE2 3.4Å; T183-F198 WeakPolarHBondContact O-CZ 3.41Å; T183-L212 HydrophobicContact CG2-CD1 4.15Å; T183-L212 HydrophobicContact CG2-CD2 4.05Å; T183-L212 HydrophobicContact CG2-CG 3.8Å; T183-N213 HydrophobicContact CG2-CB 4.17Å
184G95.3Very high93.3Very high36 Ų3611.2 Ų11.237%0.3718%0.077SC..SBendtrans74-7.8-169.600000115S180S180-G184 WeakPolarHBondContact O-CA 3.24Å; S180-G184 PolarHBondContact O-N 2.93Å
185E94.3Very high93.2Very high29 Ų2911.4 Ų11.414%0.1368%0.078CC..  trans-118.9137.8-178.3-56.6-173.7154.500111.7S179 S180 T183 V190 P195 R197 F198S179-E185 CarbonylContact C-O 3.18Å; S179-E185 WeakPolarHBondContact CB-O 3.29Å; S179-E185 PolarHBondContact OG-O 3.17Å; S180-E185 WeakPolarHBondContact CA-O 3.27Å; S180-E185 PolarHBondContact N-O 3.42Å; S180-E185 VanDerWaalsContact N-O 3.08Å; T183-E185 PolarHBondContact O-N 2.9Å; T183-E185 PolarHBondContact OG1-N 2.9Å; T183-E185 PolarHBondContact OG1-O 3.3Å; E185-V190 HydrophobicContact CB-CB 4Å; E185-V190 HydrophobicContact CB-CG1 4.35Å; E185-V190 HydrophobicContact CB-CG2 3.87Å; E185-V190 HydrophobicContact CG-CB 4.38Å; E185-V190 HydrophobicContact CG-CG1 4.43Å; E185-V190 HydrophobicContact CG-CG2 3.89Å; E185-P195 HydrophobicContact CB-CG 3.67Å; E185-P195 HydrophobicContact CG-CG 4.41Å; E185-P195 WeakPolarHBondContact OE2-CB 3.46Å; E185-P195 WeakPolarHBondContact OE2-CG 3.27Å; E185-R197 VanDerWaalsContact CD-NE 3.3Å; E185-R197 VanDerWaalsContact CD-NH2 3.29Å; E185-R197 IonicContact OE1-CZ 2.75Å; E185-R197 IonicContact OE1-NE 3.54Å; E185-R197 PolarHBondContact OE1-NE 2.98Å; E185-R197 IonicContact OE1-NH2 2.71Å; E185-R197 PolarHBondContact OE1-NH2 3.37Å; E185-R197 IonicContact OE2-CZ 3.22Å; E185-R197 IonicContact OE2-NE 3.19Å; E185-R197 PolarHBondContact OE2-NE 3.41Å; E185-R197 IonicContact OE2-NH2 3.68Å; E185-F198 HydrophobicContact CG-CE2 4.18Å
186S93.5Very high93.1Very high0 Ų014.4 Ų14.40%010%0.103CC..  trans-131.6171.7179.874.30000113.8N188 T189 V190 G191 A192 E460S186-N188 PolarHBondContact O-N 2.89Å; S186-N188 VanDerWaalsContact O-N 3.11Å; S186-N188 WeakPolarHBondContact OG-CB 3.24Å; S186-N188 PolarHBondContact OG-N 3.08Å; S186-T189 PolarHBondContact OG-OG1 2.8Å; S186-V190 PolarHBondContact O-N 2.97Å; S186-G191 PolarHBondContact O-N 3.43Å; S186-A192 CarbonylContact C-O 3.35Å; S186-E460 WeakPolarHBondContact CB-OE2 3.29Å; S186-E460 PolarHBondContact OG-OE1 3.44Å; S186-E460 PolarHBondContact OG-OE2 3.11Å
187P90.6Very high92.9Very high13 Ų1320.5 Ų20.58%0.08412%0.123CC..THydrogen-bonded Turntrans-60.8-15.7172.3-23.535.5000114.2A34 A192 C193A34-P187 WeakPolarHBondContact CB-O 3.21Å; P187-A192 WeakPolarHBondContact CD-O 3.44Å; P187-A192 VanDerWaalsContact N-O 3.11Å; P187-C193 HydrophobicContact CG-CB 4.15Å; P187-C193 VanDerWaalsContact CG-SG 3.55Å
188N93Very high92.8Very high1 Ų121.6 Ų21.61%0.00513%0.128CC..THydrogen-bonded Turntrans-91-35.3-171.6-56.7-24.2000112.3T67 F68 G174 Y177 S186 Y439 E460T67-N188 WeakPolarHBondContact CB-O 3.38Å; F68-N188 HydrophobicContact CD2-CB 3.87Å; F68-N188 HydrophobicContact CE2-CB 3.88Å; F68-N188 PolarHBondContact N-O 2.74Å; G174-N188 WeakPolarHBondContact CA-OD1 3.3Å; G174-N188 VanDerWaalsContact O-CG 3.27Å; G174-N188 PolarHBondContact O-ND2 2.77Å; G174-N188 PolarHBondContact O-OD1 2.86Å; Y177-N188 WeakPolarHBondContact CE1-ND2 3.33Å; S186-N188 PolarHBondContact O-N 2.89Å; S186-N188 VanDerWaalsContact O-N 3.11Å; S186-N188 WeakPolarHBondContact OG-CB 3.24Å; S186-N188 PolarHBondContact OG-N 3.08Å; N188-Y439 HydrophobicContact CB-CE1 4.36Å; N188-Y439 PolarHBondContact ND2-OH 2.93Å; N188-E460 WeakPolarHBondContact CB-OE1 3.07Å; N188-E460 PolarHBondContact ND2-OE1 2.89Å
189T88.9Confident92.8Very high13 Ų1322.1 Ų22.18%0.0813%0.131CC..THydrogen-bonded Turntrans-111.3-36.9-172.856.10000113.3H70 S186 Y439 W465H70-T189 PolarHBondContact CE1-O 3.46Å; H70-T189 PolarHBondContact NE2-O 2.92Å; S186-T189 PolarHBondContact OG-OG1 2.8Å; T189-Y439 HydrophobicContact CG2-CD1 4.42Å; T189-Y439 HydrophobicContact CG2-CE1 4.03Å; T189-W465 HydrophobicContact CG2-CH2 3.73Å; T189-W465 HydrophobicContact CG2-CZ3 3.84Å
190V87.3Confident92.8Very high43 Ų4326.9 Ų26.926%0.26115%0.149SC..THydrogen-bonded Turntrans-116.8-21.6-178.2-178.60000112.2E185 S186E185-V190 HydrophobicContact CB-CB 4Å; E185-V190 HydrophobicContact CB-CG1 4.35Å; E185-V190 HydrophobicContact CB-CG2 3.87Å; E185-V190 HydrophobicContact CG-CB 4.38Å; E185-V190 HydrophobicContact CG-CG1 4.43Å; E185-V190 HydrophobicContact CG-CG2 3.89Å; S186-V190 PolarHBondContact O-N 2.97Å
191G86.4Confident92.7Very high0 Ų032 Ų320%017%0.168CC..SBendtrans92.123.9171.200000115.4A34 R35 H36 S186A34-G191 CarbonylContact C-O 3.57Å; R35-G191 WeakPolarHBondContact CA-O 3.22Å; R35-G191 PolarHBondContact N-O 2.88Å; H36-G191 PolarHBondContact N-O 3.34Å; S186-G191 PolarHBondContact O-N 3.43Å
192A88.4Confident92.6Very high5 Ų536.4 Ų36.44%0.04119%0.188CC..  trans-133.9141.7173.500000112.1F37 S186 P187 S194 P195F37-A192 HydrophobicContact CE1-CB 4.15Å; F37-A192 HydrophobicContact CZ-CB 4.38Å; S186-A192 CarbonylContact C-O 3.35Å; P187-A192 WeakPolarHBondContact CD-O 3.44Å; P187-A192 VanDerWaalsContact N-O 3.11Å; A192-S194 VanDerWaalsContact C-N 3.31Å; A192-P195 HydrophobicContact CB-CB 4.22Å; A192-P195 HydrophobicContact CB-CG 4.37Å
193C90.3Very high92.5Very high49 Ų4942.2 Ų42.233%0.33122%0.215SC..SBendtrans-80.7-15173-51.40000113.2S179 P187 T230S179-C193 VanDerWaalsContact CB-O 3.27Å; S179-C193 WeakPolarHBondContact CB-O 3.06Å; S179-C193 PolarHBondContact OG-O 3.27Å; P187-C193 HydrophobicContact CG-CB 4.15Å; P187-C193 VanDerWaalsContact CG-SG 3.55Å; C193-T230 HydrophobicContact CB-CG2 4.37Å
194S92.1Very high92.4Very high3 Ų342.8 Ų42.82%0.02122%0.219CC..SBendtrans-162.890.5-176-56.50000106.3A192 Y228 P229 T230A192-S194 VanDerWaalsContact C-N 3.31Å; S194-Y228 WeakPolarHBondContact O-CE1 3.21Å; S194-Y228 PolarHBondContact O-OH 2.95Å; S194-P229 WeakPolarHBondContact CB-O 3.4Å; S194-P229 PolarHBondContact OG-O 3.02Å; S194-T230 WeakPolarHBondContact OG-CA 3.42Å
195P91.6Very high92.3Very high7 Ų747.3 Ų47.35%0.04524%0.242CC..  trans-73132.5-168.2-7.319.9000111E185 A192 R197 F198E185-P195 HydrophobicContact CB-CG 3.67Å; E185-P195 HydrophobicContact CG-CG 4.41Å; E185-P195 WeakPolarHBondContact OE2-CB 3.46Å; E185-P195 WeakPolarHBondContact OE2-CG 3.27Å; A192-P195 HydrophobicContact CB-CB 4.22Å; A192-P195 HydrophobicContact CB-CG 4.37Å; P195-R197 PolarHBondContact O-N 2.91Å; P195-F198 HydrophobicContact CB-CD2 4.05Å; P195-F198 HydrophobicContact CG-CD2 3.96Å; P195-F198 HydrophobicContact CG-CE2 4.44Å; P195-F198 PolarHBondContact O-N 3.41Å
196A90Very high92.2Very high65 Ų6551.2 Ų51.254%0.53726%0.26SS..THydrogen-bonded Turntrans-57.8-24.7-169.900000114.4F198 V199A196-F198 PolarHBondContact O-N 2.94Å; A196-V199 PolarHBondContact O-N 3.22Å
197R92Very high92.3Very high150 Ų15051.5 Ų51.557%0.56626%0.263SS*.THydrogen-bonded Turntrans-65.9-25.1176.272.3-176.5-176.297.5-12.2113.8E185 P195 R200E185-R197 VanDerWaalsContact CD-NE 3.3Å; E185-R197 VanDerWaalsContact CD-NH2 3.29Å; E185-R197 IonicContact OE1-CZ 2.75Å; E185-R197 IonicContact OE1-NE 3.54Å; E185-R197 PolarHBondContact OE1-NE 2.98Å; E185-R197 IonicContact OE1-NH2 2.71Å; E185-R197 PolarHBondContact OE1-NH2 3.37Å; E185-R197 IonicContact OE2-CZ 3.22Å; E185-R197 IonicContact OE2-NE 3.19Å; E185-R197 PolarHBondContact OE2-NE 3.41Å; E185-R197 IonicContact OE2-NH2 3.68Å; P195-R197 PolarHBondContact O-N 2.91Å; R197-R200 PolarHBondContact O-NH1 3.45Å; R197-R200 PolarHBondContact O-NH2 2.87Å
198F94.6Very high92.6Very high22 Ų2253.2 Ų53.210%0.09627%0.271CS..THydrogen-bonded Turntrans-98-10.8178.8-66.9-75.5000114T183 E185 P195 A196 L212 N213T183-F198 HydrophobicContact CG2-CB 4.11Å; T183-F198 HydrophobicContact CG2-CD1 4.49Å; T183-F198 HydrophobicContact CG2-CD2 3.99Å; T183-F198 HydrophobicContact CG2-CE2 4.49Å; T183-F198 HydrophobicContact CG2-CG 3.97Å; T183-F198 VanDerWaalsContact O-CE2 3.32Å; T183-F198 WeakPolarHBondContact O-CE2 3.4Å; T183-F198 WeakPolarHBondContact O-CZ 3.41Å; E185-F198 HydrophobicContact CG-CE2 4.18Å; P195-F198 HydrophobicContact CB-CD2 4.05Å; P195-F198 HydrophobicContact CG-CD2 3.96Å; P195-F198 HydrophobicContact CG-CE2 4.44Å; P195-F198 PolarHBondContact O-N 3.41Å; A196-F198 PolarHBondContact O-N 2.94Å; F198-L212 HydrophobicContact CB-CD1 3.79Å; F198-L212 WeakPolarHBondContact O-CA 3.31Å; F198-N213 HydrophobicContact CB-CB 4.33Å; F198-N213 HydrophobicContact CD1-CB 3.73Å; F198-N213 WeakPolarHBondContact CD1-OD1 3.42Å; F198-N213 HydrophobicContact CE1-CB 4.4Å; F198-N213 HydrophobicContact CG-CB 4.34Å; F198-N213 PolarHBondContact O-N 3.31Å
199V95.4Very high92.7Very high16 Ų1653.4 Ų53.410%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-75.4130.1179.9171.60000110.2A196 R211 L212 Y228 P229A196-V199 PolarHBondContact O-N 3.22Å; V199-R211 WeakPolarHBondContact CA-O 3.4Å; V199-L212 HydrophobicContact CG2-CD1 3.82Å; V199-Y228 HydrophobicContact CG1-CE2 4.45Å; V199-Y228 HydrophobicContact CG2-CE2 4.26Å; V199-P229 HydrophobicContact CB-CG 4.45Å; V199-P229 HydrophobicContact CG1-CG 3.65Å; V199-P229 HydrophobicContact CG2-CG 4.08Å
200R95.9Very high93.1Very high105 Ų10552.8 Ų52.840%0.39627%0.268SS..EExtended strand (participates in β ladder)trans-124.7147.4169-53.5-67.7172-102.1-5.8110.4R197 R211 E214R197-R200 PolarHBondContact O-NH1 3.45Å; R197-R200 PolarHBondContact O-NH2 2.87Å; R200-R211 HydrophobicContact CB-CB 4.23Å; R200-R211 PolarHBondContact N-O 3.38Å; R200-R211 PolarHBondContact O-N 3.29Å; R200-E214 IonicContact NE-OE1 2.71Å
201W95.6Very high93.5Very high110 Ų11051.8 Ų51.842%0.41726%0.26SS..EExtended strand (participates in β ladder)trans-122.9124.1171.7-70.5104.7000107.3L208 E209 S210 Y220 A226 G227W201-L208 HydrophobicContact CE3-CD1 4.05Å; W201-L208 HydrophobicContact CE3-CD2 4.05Å; W201-L208 HydrophobicContact CE3-CG 3.98Å; W201-L208 HydrophobicContact CZ3-CD2 4.07Å; W201-L208 HydrophobicContact CZ3-CG 4.22Å; W201-E209 WeakPolarHBondContact CA-O 3.48Å; W201-S210 VanDerWaalsContact CZ3-CB 3.46Å; W201-Y220 HydrophobicContact CH2-CE2 4.19Å; W201-Y220 HydrophobicContact CZ3-CD2 4.16Å; W201-Y220 AromaticContact CZ3-CE2 3.87Å; W201-Y220 HydrophobicContact CZ3-CE2 3.87Å; W201-A226 HydrophobicContact CH2-CB 3.79Å; W201-A226 HydrophobicContact CZ3-CB 3.74Å; W201-G227 VanDerWaalsContact CH2-O 3.26Å; W201-G227 WeakPolarHBondContact CH2-O 3.41Å
202Q95.1Very high94Very high91 Ų9151.8 Ų51.843%0.42526%0.26SS..EExtended strand (participates in β ladder)trans-137.2117.8-172.2-178.2177.1-3.900109.9T204 E209Q202-T204 HydrophobicContact CG-CG2 3.96Å; Q202-T204 PolarHBondContact O-N 2.93Å; Q202-E209 HydrophobicContact CB-CB 4.41Å; Q202-E209 PolarHBondContact N-O 3.07Å; Q202-E209 WeakPolarHBondContact O-CB 3.34Å; Q202-E209 PolarHBondContact O-N 2.69Å
203Q95.2Very high94.3Very high122 Ų12253.9 Ų53.957%0.5727%0.27SS*.EExtended strand (participates in β ladder)trans-75.4126.2170-165.269.329.200108.9
204T94.7Very high94.6Very high19 Ų1956.4 Ų56.412%0.11728%0.277CS..EExtended strand (participates in β ladder)trans-123.3165.3174.169.40000110.3Q202 Q206 G207 E209Q202-T204 HydrophobicContact CG-CG2 3.96Å; Q202-T204 PolarHBondContact O-N 2.93Å; T204-Q206 PolarHBondContact O-N 3.49Å; T204-Q206 PolarHBondContact OG1-N 3.32Å; T204-Q206 PolarHBondContact OG1-OE1 3.18Å; T204-G207 PolarHBondContact N-O 2.85Å; T204-G207 PolarHBondContact O-N 2.87Å; T204-G207 VanDerWaalsContact O-N 3.14Å; T204-G207 PolarHBondContact OG1-O 3.01Å; T204-E209 HydrophobicContact CG2-CG 3.99Å; T204-E209 WeakPolarHBondContact CG2-OE2 3.4Å; T204-E209 PolarHBondContact OG1-OE1 2.99Å
205P93.9Very high94.8Very high131 Ų13156.5 Ų56.585%0.85128%0.278SS*.THydrogen-bonded Turntrans-59.3-11.5171.8-25.235.5000114.7
206Q92.4Very high95Very high110 Ų11056.2 Ų56.251%0.51428%0.275SS..THydrogen-bonded Turntrans-101.8-6.8-179.6-59.279.29.500113T204 R219 Q221T204-Q206 PolarHBondContact O-N 3.49Å; T204-Q206 PolarHBondContact OG1-N 3.32Å; T204-Q206 PolarHBondContact OG1-OE1 3.18Å; Q206-R219 WeakPolarHBondContact O-CD 3.3Å; Q206-Q221 PolarHBondContact O-NE2 2.77Å
207G94.7Very high95.3Very high6 Ų653.2 Ų53.26%0.06225%0.25CS..EExtended strand (participates in β ladder)trans140.8-169.8178.800000113.8T204 Y220T204-G207 PolarHBondContact N-O 2.85Å; T204-G207 PolarHBondContact O-N 2.87Å; T204-G207 VanDerWaalsContact O-N 3.14Å; T204-G207 PolarHBondContact OG1-O 3.01Å; G207-Y220 CarbonylContact C-O 3.57Å; G207-Y220 WeakPolarHBondContact CA-O 3.47Å
208L96.5Very high95.4Very high49 Ų4946.1 Ų46.126%0.25722%0.224SC..EExtended strand (participates in β ladder)trans-85.4114.8169.8174.560.6000109.5W201 R219 Y220 A226W201-L208 HydrophobicContact CE3-CD1 4.05Å; W201-L208 HydrophobicContact CE3-CD2 4.05Å; W201-L208 HydrophobicContact CE3-CG 3.98Å; W201-L208 HydrophobicContact CZ3-CD2 4.07Å; W201-L208 HydrophobicContact CZ3-CG 4.22Å; L208-R219 CarbonylContact O-C 3.52Å; L208-R219 WeakPolarHBondContact O-CA 3.18Å; L208-Y220 PolarHBondContact N-O 3.18Å; L208-Y220 WeakPolarHBondContact O-CD2 3.25Å; L208-Y220 PolarHBondContact O-N 3.44Å; L208-A226 HydrophobicContact CD2-CB 3.95Å
209E96.8Very high95.5Very high5 Ų547 Ų472%0.02323%0.227CC..EExtended strand (participates in β ladder)trans-91.6139.2177.8-66.9-177.7177.900112W201 Q202 T204 R211 L216 D218 R219W201-E209 WeakPolarHBondContact CA-O 3.48Å; Q202-E209 HydrophobicContact CB-CB 4.41Å; Q202-E209 PolarHBondContact N-O 3.07Å; Q202-E209 WeakPolarHBondContact O-CB 3.34Å; Q202-E209 PolarHBondContact O-N 2.69Å; T204-E209 HydrophobicContact CG2-CG 3.99Å; T204-E209 WeakPolarHBondContact CG2-OE2 3.4Å; T204-E209 PolarHBondContact OG1-OE1 2.99Å; E209-R211 IonicContact OE2-CZ 3.78Å; E209-R211 IonicContact OE2-NE 3.24Å; E209-R211 PolarHBondContact OE2-NE 3.3Å; E209-R211 IonicContact OE2-NH2 3.96Å; E209-R211 PolarHBondContact OE2-NH2 3.36Å; E209-L216 HydrophobicContact CB-CD1 3.76Å; E209-L216 HydrophobicContact CG-CD1 3.87Å; E209-D218 WeakPolarHBondContact CA-O 3.25Å; E209-R219 HydrophobicContact CG-CB 4.16Å; E209-R219 HydrophobicContact CG-CG 3.9Å; E209-R219 IonicContact OE1-CZ 2.74Å; E209-R219 IonicContact OE1-NE 2.78Å; E209-R219 PolarHBondContact OE1-NE 3.26Å; E209-R219 IonicContact OE1-NH2 3.07Å; E209-R219 PolarHBondContact OE1-NH2 3Å
210S96.4Very high95.4Very high0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-115.9123.4171.675.50000109.6W201 I217 D218W201-S210 VanDerWaalsContact CZ3-CB 3.46Å; S210-I217 PolarHBondContact O-N 3.02Å; S210-D218 PolarHBondContact N-O 3.32Å; S210-D218 PolarHBondContact O-N 3.2Å; S210-D218 PolarHBondContact OG-N 3.08Å; S210-D218 PolarHBondContact OG-O 3.5Å
211R96.4Very high95.3Very high22 Ų2246.9 Ų46.98%0.08323%0.229CC..EExtended strand (participates in β ladder)trans-125.6150.5-174.5-58.2179.8170.3-93-2.8111.2V199 R200 E209 E214 V215 L216 E530V199-R211 WeakPolarHBondContact CA-O 3.4Å; R200-R211 HydrophobicContact CB-CB 4.23Å; R200-R211 PolarHBondContact N-O 3.38Å; R200-R211 PolarHBondContact O-N 3.29Å; E209-R211 IonicContact OE2-CZ 3.78Å; E209-R211 IonicContact OE2-NE 3.24Å; E209-R211 PolarHBondContact OE2-NE 3.3Å; E209-R211 IonicContact OE2-NH2 3.96Å; E209-R211 PolarHBondContact OE2-NH2 3.36Å; R211-E214 WeakPolarHBondContact CD-O 3.27Å; R211-E214 PolarHBondContact NH1-O 3.26Å; R211-V215 WeakPolarHBondContact CA-O 3.23Å; R211-V215 WeakPolarHBondContact CB-O 3.35Å; R211-L216 HydrophobicContact CG-CD1 4.15Å; R211-E530 IonicContact CZ-OE1 3.4Å; R211-E530 IonicContact CZ-OE2 3.52Å; R211-E530 IonicContact NH1-OE1 2.8Å; R211-E530 PolarHBondContact NH1-OE1 3.47Å; R211-E530 IonicContact NH1-OE2 3.42Å; R211-E530 PolarHBondContact NH1-OE2 2.96Å; R211-E530 VanDerWaalsContact NH2-CD 3.34Å; R211-E530 IonicContact NH2-OE1 3.71Å; R211-E530 PolarHBondContact NH2-OE1 2.9Å; R211-E530 IonicContact NH2-OE2 3.93Å; R211-E530 PolarHBondContact NH2-OE2 3.41Å
212L96Very high94.9Very high0 Ų048.7 Ų48.70%025%0.247CC..EExtended strand (participates in β ladder)trans-132.4112.1174.7-174.970.1000109.1T183 F198 V199 E214 V215 I217 L231T183-L212 HydrophobicContact CG2-CD1 4.15Å; T183-L212 HydrophobicContact CG2-CD2 4.05Å; T183-L212 HydrophobicContact CG2-CG 3.8Å; F198-L212 HydrophobicContact CB-CD1 3.79Å; F198-L212 WeakPolarHBondContact O-CA 3.31Å; V199-L212 HydrophobicContact CG2-CD1 3.82Å; L212-E214 VanDerWaalsContact C-N 3.35Å; L212-V215 PolarHBondContact N-O 3.1Å; L212-V215 PolarHBondContact O-N 3Å; L212-I217 HydrophobicContact CB-CD1 4.09Å; L212-I217 HydrophobicContact CB-CG1 3.77Å; L212-L231 HydrophobicContact CD2-CD1 3.9Å; L212-L231 HydrophobicContact CD2-CD2 4.22Å; L212-L231 HydrophobicContact CD2-CG 3.88Å
213N95.8Very high94.5Very high50 Ų5048.5 Ų48.527%0.26727%0.269SS..THydrogen-bonded Turntrans50.255.5-167.7-159.532.9000111.2L182 T183 F198 V215L182-N213 VanDerWaalsContact O-CB 3.32Å; L182-N213 WeakPolarHBondContact O-CB 3.45Å; L182-N213 PolarHBondContact O-ND2 2.88Å; T183-N213 HydrophobicContact CG2-CB 4.17Å; F198-N213 HydrophobicContact CB-CB 4.33Å; F198-N213 HydrophobicContact CD1-CB 3.73Å; F198-N213 WeakPolarHBondContact CD1-OD1 3.42Å; F198-N213 HydrophobicContact CE1-CB 4.4Å; F198-N213 HydrophobicContact CG-CB 4.34Å; F198-N213 PolarHBondContact O-N 3.31Å; N213-V215 PolarHBondContact O-N 3.4Å
214E95.3Very high94.2Very high102 Ų10246 Ų4648%0.47726%0.257SS..THydrogen-bonded Turntrans61.2-18.9-176.7-46.5-46.1118.200117.4R200 R211 L212 L216R200-E214 IonicContact NE-OE1 2.71Å; R211-E214 WeakPolarHBondContact CD-O 3.27Å; R211-E214 PolarHBondContact NH1-O 3.26Å; L212-E214 VanDerWaalsContact C-N 3.35Å; E214-L216 PolarHBondContact O-N 3.46Å
215V95.6Very high93.7Very high5 Ų552.7 Ų52.73%0.0329%0.292CS..EExtended strand (participates in β ladder)trans-61.4128.8173.5-175.20000110.8L182 R211 L212 N213 I217 V534 L608L182-V215 HydrophobicContact CD2-CB 3.73Å; L182-V215 HydrophobicContact CD2-CG1 4.08Å; L182-V215 HydrophobicContact CD2-CG2 3.7Å; L182-V215 HydrophobicContact CG-CG2 4.17Å; R211-V215 WeakPolarHBondContact CA-O 3.23Å; R211-V215 WeakPolarHBondContact CB-O 3.35Å; L212-V215 PolarHBondContact N-O 3.1Å; L212-V215 PolarHBondContact O-N 3Å; N213-V215 PolarHBondContact O-N 3.4Å; V215-I217 HydrophobicContact CB-CD1 4.21Å; V215-I217 HydrophobicContact CG1-CD1 4.04Å; V215-I217 WeakPolarHBondContact O-CD1 3.48Å; V215-I217 PolarHBondContact O-N 2.97Å; V215-V534 HydrophobicContact CG1-CG2 4.17Å; V215-L608 HydrophobicContact CG2-CD1 4.38Å
216L96.9Very high93.3Very high0 Ų048.4 Ų48.40%027%0.268CS..EExtended strand (participates in β ladder)trans-70.7113175-174.856.9000111.6E209 R211 E214 D218 Q529 E530E209-L216 HydrophobicContact CB-CD1 3.76Å; E209-L216 HydrophobicContact CG-CD1 3.87Å; R211-L216 HydrophobicContact CG-CD1 4.15Å; E214-L216 PolarHBondContact O-N 3.46Å; L216-D218 VanDerWaalsContact CD1-O 3.25Å; L216-D218 WeakPolarHBondContact CD1-O 3.29Å; L216-Q529 HydrophobicContact CD2-CB 3.84Å; L216-Q529 HydrophobicContact CG-CB 4.5Å; L216-E530 HydrophobicContact CB-CG 4.39Å; L216-E530 WeakPolarHBondContact CB-OE2 3.37Å; L216-E530 HydrophobicContact CD2-CG 3.9Å
217I95.8Very high92.8Very high2 Ų244.4 Ų44.41%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-93.1-41.9-179.4-51.9-45.4000110.2L182 S210 L212 V215 P229 L231 G234 R235L182-I217 HydrophobicContact CD2-CD1 4.13Å; S210-I217 PolarHBondContact O-N 3.02Å; L212-I217 HydrophobicContact CB-CD1 4.09Å; L212-I217 HydrophobicContact CB-CG1 3.77Å; V215-I217 HydrophobicContact CB-CD1 4.21Å; V215-I217 HydrophobicContact CG1-CD1 4.04Å; V215-I217 WeakPolarHBondContact O-CD1 3.48Å; V215-I217 PolarHBondContact O-N 2.97Å; I217-P229 HydrophobicContact CB-CB 4.23Å; I217-P229 HydrophobicContact CG1-CB 4.36Å; I217-P229 HydrophobicContact CG2-CB 4.3Å; I217-L231 HydrophobicContact CD1-CD2 3.51Å; I217-L231 HydrophobicContact CG1-CD2 4.42Å; I217-G234 CarbonylContact O-C 3.59Å; I217-G234 WeakPolarHBondContact O-CA 3.27Å; I217-R235 PolarHBondContact O-N 3.03Å
218D95.6Very high92.5Very high1 Ų149.1 Ų49.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-158.2162.1171-155.74.9000113.9E209 S210 L216 Y220 R235 Q529E209-D218 WeakPolarHBondContact CA-O 3.25Å; S210-D218 PolarHBondContact N-O 3.32Å; S210-D218 PolarHBondContact O-N 3.2Å; S210-D218 PolarHBondContact OG-N 3.08Å; S210-D218 PolarHBondContact OG-O 3.5Å; L216-D218 VanDerWaalsContact CD1-O 3.25Å; L216-D218 WeakPolarHBondContact CD1-O 3.29Å; D218-Y220 HydrophobicContact CB-CE1 4.33Å; D218-Y220 HydrophobicContact CB-CE2 4.1Å; D218-Y220 WeakPolarHBondContact OD2-CE1 3.22Å; D218-R235 VanDerWaalsContact CG-NE 3.26Å; D218-R235 VanDerWaalsContact CG-NH2 3.32Å; D218-R235 WeakPolarHBondContact OD1-CB 3.44Å; D218-R235 IonicContact OD1-CZ 3.69Å; D218-R235 IonicContact OD1-NE 3.89Å; D218-R235 PolarHBondContact OD1-NE 3.32Å; D218-R235 IonicContact OD1-NH2 3.43Å; D218-R235 PolarHBondContact OD1-NH2 2.86Å; D218-R235 IonicContact OD2-CZ 3.61Å; D218-R235 VanDerWaalsContact OD2-CZ 3.25Å; D218-R235 IonicContact OD2-NE 2.84Å; D218-R235 PolarHBondContact OD2-NE 3.48Å; D218-R235 IonicContact OD2-NH2 2.71Å; D218-R235 PolarHBondContact OD2-NH2 2.83Å; D218-Q529 PolarHBondContact OD1-NE2 3.46Å
219R95.1Very high92.1Very high42 Ų4246.9 Ų46.916%0.15826%0.261CS..EExtended strand (participates in β ladder)trans-133.6104.2177.1-178.7-173.8-71.8131.6-5.4109.8Q206 L208 E209Q206-R219 WeakPolarHBondContact O-CD 3.3Å; L208-R219 CarbonylContact O-C 3.52Å; L208-R219 WeakPolarHBondContact O-CA 3.18Å; E209-R219 HydrophobicContact CG-CB 4.16Å; E209-R219 HydrophobicContact CG-CG 3.9Å; E209-R219 IonicContact OE1-CZ 2.74Å; E209-R219 IonicContact OE1-NE 2.78Å; E209-R219 PolarHBondContact OE1-NE 3.26Å; E209-R219 IonicContact OE1-NH2 3.07Å; E209-R219 PolarHBondContact OE1-NH2 3Å
220Y94.4Very high91.9Very high14 Ų1448 Ų486%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-86.3146.4-177.2-55.2-77000111.9W201 G207 L208 D218 E224 A226 G227W201-Y220 HydrophobicContact CH2-CE2 4.19Å; W201-Y220 HydrophobicContact CZ3-CD2 4.16Å; W201-Y220 AromaticContact CZ3-CE2 3.87Å; W201-Y220 HydrophobicContact CZ3-CE2 3.87Å; G207-Y220 CarbonylContact C-O 3.57Å; G207-Y220 WeakPolarHBondContact CA-O 3.47Å; L208-Y220 PolarHBondContact N-O 3.18Å; L208-Y220 WeakPolarHBondContact O-CD2 3.25Å; L208-Y220 PolarHBondContact O-N 3.44Å; D218-Y220 HydrophobicContact CB-CE1 4.33Å; D218-Y220 HydrophobicContact CB-CE2 4.1Å; D218-Y220 WeakPolarHBondContact OD2-CE1 3.22Å; Y220-E224 VanDerWaalsContact CA-OE2 3.31Å; Y220-E224 WeakPolarHBondContact CA-OE2 3.19Å; Y220-E224 HydrophobicContact CD1-CG 4.17Å; Y220-A226 HydrophobicContact CD1-CB 4.35Å; Y220-A226 HydrophobicContact CD2-CB 3.51Å; Y220-A226 HydrophobicContact CE2-CB 3.73Å; Y220-A226 HydrophobicContact CG-CB 3.85Å; Y220-G227 PolarHBondContact OH-N 3.36Å; Y220-G227 PolarHBondContact OH-O 3.01Å
221Q92.9Very high91.7Very high103 Ų10348.2 Ų48.248%0.48127%0.27SS..PPolyproline II helixtrans-87.2166.5173.5-59-58.7-88.600112.1Q206 G223 E224Q206-Q221 PolarHBondContact O-NE2 2.77Å; Q221-G223 PolarHBondContact O-N 3.3Å; Q221-E224 PolarHBondContact N-OE2 3.35Å; Q221-E224 WeakPolarHBondContact O-CB 3.14Å; Q221-E224 PolarHBondContact O-N 2.84Å
222D88.2Confident91.5Very high149 Ų14948 Ų4880%0.79727%0.271SS*.THydrogen-bonded Turntrans-60.4125.9178.5-71.9-21.8000111.3E224D222-E224 VanDerWaalsContact C-N 3.32Å
223G86.3Confident91.3Very high87 Ų8749 Ų4990%0.89728%0.276SS*.THydrogen-bonded Turntrans83.1-2.3-175.200000115.2Q221Q221-G223 PolarHBondContact O-N 3.3Å
224E89.1Confident91.2Very high69 Ų6946.7 Ų46.732%0.32226%0.264SS..  trans-79.6138.3174.2-167-177.9170.900111.5Y220 Q221 D222 A226 R235Y220-E224 VanDerWaalsContact CA-OE2 3.31Å; Y220-E224 WeakPolarHBondContact CA-OE2 3.19Å; Y220-E224 HydrophobicContact CD1-CG 4.17Å; Q221-E224 PolarHBondContact N-OE2 3.35Å; Q221-E224 WeakPolarHBondContact O-CB 3.14Å; Q221-E224 PolarHBondContact O-N 2.84Å; D222-E224 VanDerWaalsContact C-N 3.32Å; E224-A226 PolarHBondContact O-N 2.9Å; E224-R235 IonicContact OE1-CZ 3.54Å; E224-R235 IonicContact OE1-NH1 2.78Å; E224-R235 PolarHBondContact OE1-NH1 2.58Å; E224-R235 IonicContact OE1-NH2 3.55Å; E224-R235 PolarHBondContact OE1-NH2 3.32Å; E224-R235 IonicContact OE2-NH1 2.69Å; E224-R235 IonicContact OE2-NH2 3.13Å
225N84.1Confident91.2Very high159 Ų15943.3 Ų43.385%0.8525%0.247SC*.  trans-74.597.1-178.6-79.6-40.2000111.7G227N225-G227 PolarHBondContact O-N 2.54Å
226A85.5Confident91.2Very high42 Ų4243 Ų4335%0.34725%0.245SC..  trans-66.8112.8178.500000112.9W201 L208 Y220 E224W201-A226 HydrophobicContact CH2-CB 3.79Å; W201-A226 HydrophobicContact CZ3-CB 3.74Å; L208-A226 HydrophobicContact CD2-CB 3.95Å; Y220-A226 HydrophobicContact CD1-CB 4.35Å; Y220-A226 HydrophobicContact CD2-CB 3.51Å; Y220-A226 HydrophobicContact CE2-CB 3.73Å; Y220-A226 HydrophobicContact CG-CB 3.85Å; E224-A226 PolarHBondContact O-N 2.9Å
227G81.8Confident91.2Very high25 Ų2544.3 Ų44.326%0.25825%0.252SS..  trans-82.6152.2177.400000113W201 Y220 N225W201-G227 VanDerWaalsContact CH2-O 3.26Å; W201-G227 WeakPolarHBondContact CH2-O 3.41Å; Y220-G227 PolarHBondContact OH-N 3.36Å; Y220-G227 PolarHBondContact OH-O 3.01Å; N225-G227 PolarHBondContact O-N 2.54Å
228Y87.5Confident91.1Very high105 Ų10544.3 Ų44.341%0.41225%0.252SS..  trans-60.1121.3176.5-173.7-100.9000110.2S194 V199 T230S194-Y228 WeakPolarHBondContact O-CE1 3.21Å; S194-Y228 PolarHBondContact O-OH 2.95Å; V199-Y228 HydrophobicContact CG1-CE2 4.45Å; V199-Y228 HydrophobicContact CG2-CE2 4.26Å; Y228-T230 PolarHBondContact O-N 2.96Å; Y228-T230 PolarHBondContact O-OG1 3.08Å
229P89.5Confident90.9Very high2 Ų249.7 Ų49.71%0.01328%0.281CS..  trans-62.7105.6-165.119.7-31.1000110.9S194 V199 I217S194-P229 WeakPolarHBondContact CB-O 3.4Å; S194-P229 PolarHBondContact OG-O 3.02Å; V199-P229 HydrophobicContact CB-CG 4.45Å; V199-P229 HydrophobicContact CG1-CG 3.65Å; V199-P229 HydrophobicContact CG2-CG 4.08Å; I217-P229 HydrophobicContact CB-CB 4.23Å; I217-P229 HydrophobicContact CG1-CB 4.36Å; I217-P229 HydrophobicContact CG2-CB 4.3Å
230T91.2Very high90.7Very high29 Ų2950.5 Ų50.518%0.17830%0.303CS..  trans-123.3129.4-178-50.10000108.1C193 S194 Y228 C232 K233 G234C193-T230 HydrophobicContact CB-CG2 4.37Å; S194-T230 WeakPolarHBondContact OG-CA 3.42Å; Y228-T230 PolarHBondContact O-N 2.96Å; Y228-T230 PolarHBondContact O-OG1 3.08Å; T230-C232 VanDerWaalsContact C-N 3.32Å; T230-C232 PolarHBondContact O-N 3.24Å; T230-K233 CarbonylContact O-C 3.58Å; T230-K233 WeakPolarHBondContact O-CA 3.44Å; T230-K233 PolarHBondContact O-N 3.35Å; T230-G234 PolarHBondContact O-N 2.84Å
231L93.9Very high90.7Very high4 Ų456.6 Ų56.62%0.02133%0.331CS..G310 helixtrans-59.4-37.7-167.7-69.4164.5000114.4L178 L182 L212 I217 K233 Y236 F535L178-L231 VanDerWaalsContact C-CD1 3.42Å; L178-L231 HydrophobicContact CB-CB 4.28Å; L178-L231 HydrophobicContact CB-CD1 3.87Å; L178-L231 WeakPolarHBondContact O-CD1 3.4Å; L182-L231 HydrophobicContact CB-CD1 4.27Å; L182-L231 HydrophobicContact CD1-CD1 4.24Å; L182-L231 HydrophobicContact CD1-CD2 4.23Å; L182-L231 HydrophobicContact CD2-CD1 4.34Å; L182-L231 HydrophobicContact CD2-CD2 3.55Å; L182-L231 HydrophobicContact CG-CD2 4.42Å; L212-L231 HydrophobicContact CD2-CD1 3.9Å; L212-L231 HydrophobicContact CD2-CD2 4.22Å; L212-L231 HydrophobicContact CD2-CG 3.88Å; I217-L231 HydrophobicContact CD1-CD2 3.51Å; I217-L231 HydrophobicContact CG1-CD2 4.42Å; L231-K233 PolarHBondContact O-N 2.97Å; L231-Y236 WeakPolarHBondContact O-CE2 2.99Å; L231-Y236 PolarHBondContact O-OH 2.64Å; L231-F535 HydrophobicContact CB-CE2 4.49Å; L231-F535 HydrophobicContact CB-CZ 4.25Å; L231-F535 HydrophobicContact CD1-CZ 4.35Å; L231-F535 HydrophobicContact CD2-CE2 4.44Å; L231-F535 HydrophobicContact CD2-CZ 4.15Å; L231-F535 HydrophobicContact CG-CZ 4.49Å
232C92.3Very high90.8Very high18 Ų1857 Ų5712%0.12233%0.329CS..G310 helixtrans-70.3-7.2174.757.50000114.5M171 T230 L246 E247M171-C232 HydrophobicContact CE-CB 3.84Å; T230-C232 VanDerWaalsContact C-N 3.32Å; T230-C232 PolarHBondContact O-N 3.24Å; C232-L246 WeakPolarHBondContact O-CB 3.48Å; C232-E247 WeakPolarHBondContact O-CA 3.33Å; C232-E247 WeakPolarHBondContact O-CB 3.15Å; C232-E247 PolarHBondContact O-N 3.25Å; C232-E247 VanDerWaalsContact O-O 3.08Å
233K91.2Very high91Very high20 Ų2052.5 Ų52.59%0.08730%0.301CS..G310 helixtrans-118.4-0.2-175.7-72.3177.7163.8179.90114.6T230 L231 H244 E247 T250 E317T230-K233 CarbonylContact O-C 3.58Å; T230-K233 WeakPolarHBondContact O-CA 3.44Å; T230-K233 PolarHBondContact O-N 3.35Å; L231-K233 PolarHBondContact O-N 2.97Å; K233-H244 PolarHBondContact O-CE1 2.73Å; K233-H244 VanDerWaalsContact O-CE1 3.23Å; K233-H244 PolarHBondContact O-ND1 3.41Å; K233-E247 WeakPolarHBondContact CA-O 3.38Å; K233-E247 HydrophobicContact CG-CG 4.47Å; K233-T250 PolarHBondContact NZ-O 3.16Å; K233-E317 IonicContact NZ-OE2 2.72Å; K233-E317 PolarHBondContact NZ-OE2 3.3Å
234G93.2Very high91.2Very high2 Ų249.8 Ų49.82%0.02127%0.265CS..  trans-69167.1176.800000114I217 T230 H244I217-G234 CarbonylContact O-C 3.59Å; I217-G234 WeakPolarHBondContact O-CA 3.27Å; T230-G234 PolarHBondContact O-N 2.84Å; G234-H244 PolarHBondContact O-ND1 2.8Å
235R95Very high91.2Very high31 Ų3146.5 Ų46.512%0.11725%0.249CC..  trans-105.7124.1168.3-68.2-179.4-75.4-146-17.9109.7I217 D218 E224 R242 Y243 H244 Q529I217-R235 PolarHBondContact O-N 3.03Å; D218-R235 VanDerWaalsContact CG-NE 3.26Å; D218-R235 VanDerWaalsContact CG-NH2 3.32Å; D218-R235 WeakPolarHBondContact OD1-CB 3.44Å; D218-R235 IonicContact OD1-CZ 3.69Å; D218-R235 IonicContact OD1-NE 3.89Å; D218-R235 PolarHBondContact OD1-NE 3.32Å; D218-R235 IonicContact OD1-NH2 3.43Å; D218-R235 PolarHBondContact OD1-NH2 2.86Å; D218-R235 IonicContact OD2-CZ 3.61Å; D218-R235 VanDerWaalsContact OD2-CZ 3.25Å; D218-R235 IonicContact OD2-NE 2.84Å; D218-R235 PolarHBondContact OD2-NE 3.48Å; D218-R235 IonicContact OD2-NH2 2.71Å; D218-R235 PolarHBondContact OD2-NH2 2.83Å; E224-R235 IonicContact OE1-CZ 3.54Å; E224-R235 IonicContact OE1-NH1 2.78Å; E224-R235 PolarHBondContact OE1-NH1 2.58Å; E224-R235 IonicContact OE1-NH2 3.55Å; E224-R235 PolarHBondContact OE1-NH2 3.32Å; E224-R235 IonicContact OE2-NH1 2.69Å; E224-R235 IonicContact OE2-NH2 3.13Å; R235-R242 HydrophobicContact CB-CG 4.46Å; R235-Y243 WeakPolarHBondContact CA-O 3.15Å; R235-H244 WeakPolarHBondContact CG-CE1 3.1Å; R235-H244 WeakPolarHBondContact CG-NE2 3.22Å; R235-Q529 WeakPolarHBondContact O-CG 3.32Å; R235-Q529 PolarHBondContact O-NE2 3.22Å
236Y96.6Very high91.5Very high0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-123.5164.7-171.9-63-80.2000110.3L231 R242 Y243 A245 V526 L527 V534L231-Y236 WeakPolarHBondContact O-CE2 2.99Å; L231-Y236 PolarHBondContact O-OH 2.64Å; Y236-R242 WeakPolarHBondContact O-CA 3.41Å; Y236-Y243 PolarHBondContact N-O 2.91Å; Y236-Y243 PolarHBondContact O-N 2.86Å; Y236-Y243 VanDerWaalsContact O-N 3.1Å; Y236-A245 HydrophobicContact CD2-CB 4.31Å; Y236-V526 VanDerWaalsContact CB-CG1 3.41Å; Y236-V526 HydrophobicContact CD1-CG1 3.89Å; Y236-V526 HydrophobicContact CD2-CG1 4.12Å; Y236-V526 HydrophobicContact CG-CG1 3.54Å; Y236-L527 WeakPolarHBondContact CA-O 3.42Å; Y236-L527 WeakPolarHBondContact CB-O 2.96Å; Y236-V534 HydrophobicContact CE1-CG2 4.35Å
237L96.9Very high91.5Very high27 Ų2737.1 Ų37.114%0.14119%0.193CC..EExtended strand (participates in β ladder)trans-92.6127.9169.2-51176.5000109.1E241 R242 L527L237-E241 WeakPolarHBondContact CA-O 3.47Å; L237-R242 HydrophobicContact CD2-CB 3.66Å; L237-R242 HydrophobicContact CD2-CG 3.97Å; L237-L527 HydrophobicContact CB-CB 4.22Å; L237-L527 PolarHBondContact N-O 3.22Å; L237-L527 PolarHBondContact O-N 3.27Å
238V93.5Very high91.5Very high2 Ų238.8 Ų38.81%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-128.6121.4167.9-177.40000107.1G240 E241 Y243 A245 R524 V526V238-G240 PolarHBondContact O-N 3.25Å; V238-E241 PolarHBondContact N-O 3.04Å; V238-E241 PolarHBondContact O-N 2.91Å; V238-Y243 HydrophobicContact CB-CE1 3.91Å; V238-Y243 WeakPolarHBondContact CB-OH 3.36Å; V238-Y243 HydrophobicContact CG2-CE1 4.21Å; V238-A245 HydrophobicContact CG2-CB 3.84Å; V238-R524 HydrophobicContact CG1-CB 4.2Å; V238-V526 HydrophobicContact CG2-CG1 4.46Å; V238-V526 HydrophobicContact CG2-CG2 4.24Å
239D91.2Very high91.2Very high113 Ų11335.7 Ų35.760%0.60419%0.187SC*.THydrogen-bonded Turntrans52.127.8-174.2-53.1-46.9000114.2R524D239-R524 IonicContact OD2-CZ 2.78Å; D239-R524 IonicContact OD2-NE 3.49Å; D239-R524 PolarHBondContact OD2-NE 2.92Å; D239-R524 IonicContact OD2-NH2 2.62Å; D239-R524 PolarHBondContact OD2-NH2 2.73Å
240G91.7Very high90.6Very high60 Ų6035.6 Ų35.662%0.61919%0.187SC*.THydrogen-bonded Turntrans97.8-22.5-178.600000114.9V238V238-G240 PolarHBondContact O-N 3.25Å
241E94.2Very high90.2Very high141 Ų14134.7 Ų34.766%0.65918%0.181SC*.EExtended strand (participates in β ladder)trans-85.1138.1-175.3-71.6-59.2157.400112.9L237 V238 Y243L237-E241 WeakPolarHBondContact CA-O 3.47Å; V238-E241 PolarHBondContact N-O 3.04Å; V238-E241 PolarHBondContact O-N 2.91Å; E241-Y243 HydrophobicContact CB-CD1 4.37Å; E241-Y243 HydrophobicContact CB-CE1 4.48Å
242R93.8Very high89.7Confident113 Ų11335.8 Ų35.843%0.42619%0.187SC..EExtended strand (participates in β ladder)trans-103107.3-172.1-170.9-172.666.9146.80.9113.2R235 Y236 L237 Q529R235-R242 HydrophobicContact CB-CG 4.46Å; Y236-R242 WeakPolarHBondContact O-CA 3.41Å; L237-R242 HydrophobicContact CD2-CB 3.66Å; L237-R242 HydrophobicContact CD2-CG 3.97Å; R242-Q529 VanDerWaalsContact CD-OE1 3.29Å; R242-Q529 HydrophobicContact CG-CG 4.27Å
243Y92.4Very high89.5Confident54 Ų5437.2 Ų37.221%0.21219%0.194CC..EExtended strand (participates in β ladder)trans-155.7177.518065.3-76.3000112.8R235 Y236 V238 E241 A245 S505R235-Y243 WeakPolarHBondContact CA-O 3.15Å; Y236-Y243 PolarHBondContact N-O 2.91Å; Y236-Y243 PolarHBondContact O-N 2.86Å; Y236-Y243 VanDerWaalsContact O-N 3.1Å; V238-Y243 HydrophobicContact CB-CE1 3.91Å; V238-Y243 WeakPolarHBondContact CB-OH 3.36Å; V238-Y243 HydrophobicContact CG2-CE1 4.21Å; E241-Y243 HydrophobicContact CB-CD1 4.37Å; E241-Y243 HydrophobicContact CB-CE1 4.48Å; Y243-A245 VanDerWaalsContact C-N 3.28Å; Y243-A245 HydrophobicContact CE2-CB 4.24Å; Y243-A245 PolarHBondContact O-N 3Å; Y243-S505 WeakPolarHBondContact OH-CA 3.44Å; Y243-S505 WeakPolarHBondContact OH-CB 3.45Å
244H90.2Very high89.5Confident30 Ų3037 Ų3714%0.13919%0.194CC..  trans-73.480.6173.2-69.9-77.4000110.7K233 G234 R235 L246 E248 R504K233-H244 PolarHBondContact O-CE1 2.73Å; K233-H244 VanDerWaalsContact O-CE1 3.23Å; K233-H244 PolarHBondContact O-ND1 3.41Å; G234-H244 PolarHBondContact O-ND1 2.8Å; R235-H244 WeakPolarHBondContact CG-CE1 3.1Å; R235-H244 WeakPolarHBondContact CG-NE2 3.22Å; H244-L246 PolarHBondContact O-N 3.13Å; H244-L246 VanDerWaalsContact O-N 3.12Å; H244-E248 HydrophobicContact CB-CG 3.67Å; H244-R504 PolarHBondContact O-NE 3.42Å; H244-R504 VanDerWaalsContact O-NE 3.1Å; H244-R504 PolarHBondContact O-NH2 3.23Å
245A89.7Confident89.3Confident0 Ų037 Ų370%019%0.193CC..SBendtrans-57-26.3-17300000114.7Y236 V238 Y243 V526Y236-A245 HydrophobicContact CD2-CB 4.31Å; V238-A245 HydrophobicContact CG2-CB 3.84Å; Y243-A245 VanDerWaalsContact C-N 3.28Å; Y243-A245 HydrophobicContact CE2-CB 4.24Å; Y243-A245 PolarHBondContact O-N 3Å; A245-V526 HydrophobicContact CB-CG1 4.28Å
246L89.9Confident89.2Confident1 Ų141.6 Ų41.61%0.00522%0.216CC..SBendtrans-105.6-73.1179-59.4176.5000110.5M171 C232 H244 F501 R504 L537 T542M171-L246 HydrophobicContact CE-CD1 4.2Å; C232-L246 WeakPolarHBondContact O-CB 3.48Å; H244-L246 PolarHBondContact O-N 3.13Å; H244-L246 VanDerWaalsContact O-N 3.12Å; L246-F501 HydrophobicContact CB-CD1 4.33Å; L246-F501 HydrophobicContact CB-CE1 4.03Å; L246-F501 HydrophobicContact CB-CZ 4.22Å; L246-F501 HydrophobicContact CD2-CB 4.2Å; L246-F501 HydrophobicContact CD2-CD1 3.95Å; L246-F501 HydrophobicContact CD2-CD2 3.5Å; L246-F501 VanDerWaalsContact CD2-CD2 3.5Å; L246-F501 HydrophobicContact CD2-CE1 4.15Å; L246-F501 HydrophobicContact CD2-CE2 3.69Å; L246-F501 HydrophobicContact CD2-CG 3.62Å; L246-F501 HydrophobicContact CD2-CZ 4.01Å; L246-F501 WeakPolarHBondContact O-CD1 3.02Å; L246-F501 WeakPolarHBondContact O-CE1 3.41Å; L246-R504 WeakPolarHBondContact O-CD 3.28Å; L246-R504 PolarHBondContact O-NE 3.12Å; L246-L537 HydrophobicContact CD2-CD2 3.55Å; L246-T542 HydrophobicContact CD1-CG2 4.04Å; L246-T542 HydrophobicContact CD2-CG2 4.26Å; L246-T542 WeakPolarHBondContact CD2-OG1 3.41Å
247E85.4Confident88.9Confident3 Ų344.3 Ų44.31%0.01423%0.23CC..  trans-147.4151-175.6158.969.4-49.300109.8L168 I170 C232 K233 R499L168-E247 WeakPolarHBondContact CD2-OE2 3.05Å; I170-E247 HydrophobicContact CB-CB 4.47Å; I170-E247 HydrophobicContact CB-CG 4.34Å; I170-E247 HydrophobicContact CG2-CB 3.8Å; I170-E247 HydrophobicContact CG2-CG 4.12Å; C232-E247 WeakPolarHBondContact O-CA 3.33Å; C232-E247 WeakPolarHBondContact O-CB 3.15Å; C232-E247 PolarHBondContact O-N 3.25Å; C232-E247 VanDerWaalsContact O-O 3.08Å; K233-E247 WeakPolarHBondContact CA-O 3.38Å; K233-E247 HydrophobicContact CG-CG 4.47Å; E247-R499 IonicContact OE1-CZ 3.96Å; E247-R499 IonicContact OE1-NH1 3.66Å; E247-R499 PolarHBondContact OE1-NH1 3.09Å; E247-R499 IonicContact OE1-NH2 2.77Å; E247-R499 IonicContact OE2-CZ 3.59Å; E247-R499 VanDerWaalsContact OE2-CZ 3.27Å; E247-R499 IonicContact OE2-NH1 3.7Å; E247-R499 PolarHBondContact OE2-NH1 2.67Å; E247-R499 IonicContact OE2-NH2 3.86Å; E247-R499 PolarHBondContact OE2-NH2 3.24Å
248E83Confident88.7Confident59 Ų5943 Ų4328%0.27622%0.224SC..  trans-83.8157.3173.3-80.9157.1-114.100110.4H244 T250 R504H244-E248 HydrophobicContact CB-CG 3.67Å; E248-T250 PolarHBondContact O-N 2.86Å; E248-T250 PolarHBondContact O-OG1 3.21Å; E248-R504 IonicContact OE1-CZ 2.78Å; E248-R504 IonicContact OE1-NH1 3.98Å; E248-R504 PolarHBondContact OE1-NH1 3.23Å; E248-R504 IonicContact OE1-NH2 3.32Å; E248-R504 PolarHBondContact OE1-NH2 2.97Å
249P80.6Confident88.7Confident40 Ų4044.4 Ų44.426%0.2623%0.232SC..SBendtrans-53.997.9167.2-26.435.9000111.1E317 G318P249-E317 CarbonylContact C-O 3.57Å; P249-E317 CarbonylContact O-C 3.38Å; P249-E317 VanDerWaalsContact O-O 3.04Å; P249-G318 WeakPolarHBondContact O-CA 3.22Å; P249-G318 PolarHBondContact O-N 2.8Å
250T77.1Confident88.8Confident1 Ų142.1 Ų42.11%0.00622%0.218CC..  trans-127.5141.9-173.1-78.90000112L168 K233 E248 E317 Q320L168-T250 HydrophobicContact CB-CG2 3.83Å; L168-T250 WeakPolarHBondContact CB-O 3.44Å; L168-T250 HydrophobicContact CD2-CG2 3.6Å; L168-T250 HydrophobicContact CG-CG2 4.37Å; L168-T250 PolarHBondContact N-O 3.23Å; K233-T250 PolarHBondContact NZ-O 3.16Å; E248-T250 PolarHBondContact O-N 2.86Å; E248-T250 PolarHBondContact O-OG1 3.21Å; T250-E317 CarbonylContact C-O 3.48Å; T250-E317 WeakPolarHBondContact CA-O 3.47Å; T250-Q320 WeakPolarHBondContact CG2-O 3.45Å; T250-Q320 PolarHBondContact OG1-O 2.74Å; T250-Q320 VanDerWaalsContact OG1-O 3.14Å
251S82.1Confident88.9Confident10 Ų1039.5 Ų39.57%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-105.5144.2163.2-90.10000111.8S316 E317S251-S316 WeakPolarHBondContact CB-OG 3.46Å; S251-S316 WeakPolarHBondContact OG-CA 3.42Å; S251-E317 PolarHBondContact N-O 3.14Å; S251-E317 PolarHBondContact OG-N 3.1Å
252L84.4Confident88.9Confident27 Ų2734.5 Ų34.514%0.14117%0.167CC..EExtended strand (participates in β ladder)trans-76.4139.4165-176.362.2000109.7F163 F165 G166 L168 T254F163-L252 HydrophobicContact CB-CD2 3.8Å; F163-L252 WeakPolarHBondContact O-CD2 3.48Å; F165-L252 CarbonylContact C-O 3.49Å; F165-L252 VanDerWaalsContact CA-O 3.27Å; F165-L252 WeakPolarHBondContact CA-O 3.31Å; F165-L252 WeakPolarHBondContact CD2-O 3.42Å; G166-L252 PolarHBondContact N-O 2.78Å; G166-L252 WeakPolarHBondContact O-CB 3.2Å; G166-L252 PolarHBondContact O-N 3.36Å; L168-L252 HydrophobicContact CD1-CB 4.39Å; L252-T254 HydrophobicContact CD1-CG2 3.72Å; L252-T254 HydrophobicContact CD2-CG2 4.27Å; L252-T254 HydrophobicContact CG-CG2 3.93Å
253N88.6Confident89Confident48 Ų4833 Ų3326%0.25718%0.179SC..EExtended strand (participates in β ladder)trans-143.5115.5163.9179.612.5000108.8F165 L255F165-N253 HydrophobicContact CD2-CB 3.89Å; F165-N253 HydrophobicContact CE2-CB 4.18Å; N253-L255 WeakPolarHBondContact OD1-CB 3.29Å; N253-L255 PolarHBondContact OD1-N 3.16Å
254T90.2Very high89Confident15 Ų1531.1 Ų31.19%0.09217%0.174CC..  trans-111.221.6-179.268.20000113.3A164 L252 E256 L257 W288A164-T254 WeakPolarHBondContact CA-OG1 3.15Å; A164-T254 PolarHBondContact O-N 3.03Å; A164-T254 PolarHBondContact O-OG1 2.85Å; L252-T254 HydrophobicContact CD1-CG2 3.72Å; L252-T254 HydrophobicContact CD2-CG2 4.27Å; L252-T254 HydrophobicContact CG-CG2 3.93Å; T254-E256 PolarHBondContact O-N 3.22Å; T254-L257 HydrophobicContact CG2-CD1 4.23Å; T254-L257 PolarHBondContact O-N 3.4Å; T254-W288 WeakPolarHBondContact OG1-CH2 3.29Å
255L89.8Confident89.3Confident1 Ų136.3 Ų36.31%0.00520%0.203CC..SBendtrans-59.6-32-173.7-160.671.4000113N253 L258 V287 W288 A291 F302 P304 W308 M309 L312N253-L255 WeakPolarHBondContact OD1-CB 3.29Å; N253-L255 PolarHBondContact OD1-N 3.16Å; L255-L258 VanDerWaalsContact O-CB 3.24Å; L255-L258 WeakPolarHBondContact O-CB 3.28Å; L255-V287 HydrophobicContact CD2-CG1 4.07Å; L255-W288 HydrophobicContact CB-CH2 4.26Å; L255-W288 HydrophobicContact CB-CZ2 3.98Å; L255-W288 HydrophobicContact CD1-CD2 3.68Å; L255-W288 HydrophobicContact CD1-CE3 3.87Å; L255-W288 HydrophobicContact CD1-CG 4.27Å; L255-W288 HydrophobicContact CD1-CH2 3.87Å; L255-W288 HydrophobicContact CD1-CZ2 3.67Å; L255-W288 HydrophobicContact CD1-CZ3 3.98Å; L255-W288 HydrophobicContact CG-CZ2 4.48Å; L255-A291 HydrophobicContact CD1-CB 3.51Å; L255-A291 HydrophobicContact CG-CB 4.2Å; L255-F302 WeakPolarHBondContact O-CE1 3.49Å; L255-P304 HydrophobicContact CD2-CB 4.06Å; L255-P304 HydrophobicContact CG-CB 4.43Å; L255-P304 HydrophobicContact CG-CG 4.36Å; L255-W308 HydrophobicContact CD2-CB 3.83Å; L255-W308 HydrophobicContact CD2-CE3 4.11Å; L255-M309 HydrophobicContact CB-SD 4.15Å; L255-M309 HydrophobicContact CD2-SD 3.95Å; L255-L312 HydrophobicContact CB-CD1 4.33Å; L255-L312 HydrophobicContact CD2-CD1 3.89Å; L255-L312 HydrophobicContact CG-CD1 4.49Å
256E91.2Very high89.7Confident129 Ų12936.4 Ų36.460%0.60320%0.204SC*.THydrogen-bonded Turntrans-69.7-35.1174.4-69.9171.8-179.200112.9T254 L258 P259 P304 M309T254-E256 PolarHBondContact O-N 3.22Å; E256-L258 PolarHBondContact O-N 2.83Å; E256-P259 VanDerWaalsContact O-CD 3.31Å; E256-P259 WeakPolarHBondContact O-CD 3.34Å; E256-P304 HydrophobicContact CB-CG 4.41Å; E256-P304 HydrophobicContact CG-CG 3.75Å; E256-M309 HydrophobicContact CG-CE 4.26Å; E256-M309 WeakPolarHBondContact OE1-CE 3.37Å
257L90.2Very high90Very high57 Ų5737.6 Ų37.630%0.29821%0.214SC..THydrogen-bonded Turntrans-76.9-0.2-179.9-52.1-179.3000112.9T254 E260 L261T254-L257 HydrophobicContact CG2-CD1 4.23Å; T254-L257 PolarHBondContact O-N 3.4Å; L257-E260 WeakPolarHBondContact CD2-OE1 3.16Å; L257-E260 WeakPolarHBondContact O-CA 3.19Å; L257-E260 WeakPolarHBondContact O-CB 3.49Å; L257-E260 PolarHBondContact O-N 3.02Å; L257-L261 HydrophobicContact CB-CD1 4.49Å; L257-L261 HydrophobicContact CB-CG 4.49Å; L257-L261 WeakPolarHBondContact O-CG 3.28Å; L257-L261 PolarHBondContact O-N 2.86Å
258L93.3Very high90.7Very high0 Ų037.4 Ų37.40%021%0.213CC..Hα-helixtrans-55.1-41.6-174.2-179.357.1000114.3M1 L255 E256 E260 L261 M262 W288 A291 I292 C295 F302M1-L258 HydrophobicContact CE-CD1 4.22Å; M1-L258 HydrophobicContact SD-CD1 3.38Å; M1-L258 WeakPolarHBondContact SD-CD1 3.47Å; L255-L258 VanDerWaalsContact O-CB 3.24Å; L255-L258 WeakPolarHBondContact O-CB 3.28Å; E256-L258 PolarHBondContact O-N 2.83Å; L258-E260 VanDerWaalsContact C-N 3.34Å; L258-E260 PolarHBondContact O-N 3.37Å; L258-L261 PolarHBondContact O-N 3.28Å; L258-M262 HydrophobicContact CD1-CE 3.69Å; L258-M262 HydrophobicContact CD1-CG 4.47Å; L258-M262 HydrophobicContact CD2-CE 4.41Å; L258-M262 HydrophobicContact CG-CE 3.95Å; L258-M262 WeakPolarHBondContact O-CG 3.43Å; L258-M262 PolarHBondContact O-N 3.24Å; L258-W288 HydrophobicContact CD1-CZ3 4.24Å; L258-A291 VanDerWaalsContact CD2-C 3.49Å; L258-A291 HydrophobicContact CD2-CB 3.75Å; L258-A291 WeakPolarHBondContact CD2-O 3.09Å; L258-I292 HydrophobicContact CD1-CG1 4.06Å; L258-I292 HydrophobicContact CD2-CG1 4.18Å; L258-C295 HydrophobicContact CD2-CB 3.95Å; L258-C295 HydrophobicContact CG-CB 4.02Å; L258-F302 HydrophobicContact CB-CE1 4.09Å; L258-F302 HydrophobicContact CB-CZ 4.31Å; L258-F302 HydrophobicContact CD2-CE1 4.39Å; L258-F302 HydrophobicContact CD2-CE2 4.11Å; L258-F302 HydrophobicContact CD2-CZ 3.8Å
259P94Very high91.3Very high30 Ų3034.6 Ų34.620%0.19520%0.2CC..Hα-helixtrans-65.2-37.1174.5-20.534.3000112.5E256 M262 A263 F302E256-P259 VanDerWaalsContact O-CD 3.31Å; E256-P259 WeakPolarHBondContact O-CD 3.34Å; P259-M262 PolarHBondContact O-N 2.86Å; P259-A263 WeakPolarHBondContact O-CB 3.17Å; P259-A263 PolarHBondContact O-N 3.21Å; P259-F302 HydrophobicContact CG-CB 3.79Å; P259-F302 HydrophobicContact CG-CD1 3.41Å; P259-F302 VanDerWaalsContact CG-CD1 3.41Å; P259-F302 HydrophobicContact CG-CE1 4.3Å; P259-F302 HydrophobicContact CG-CG 3.87Å
260E92.2Very high92.1Very high65 Ų6533 Ų3330%0.30419%0.189SC..Hα-helixtrans-67.1-38.9177.1-65.9-171.9-100.800112.1I146 K150 L257 L258 A264I146-E260 HydrophobicContact CD1-CB 4.16Å; I146-E260 HydrophobicContact CG1-CB 4.21Å; K150-E260 IonicContact NZ-OE2 3.19Å; K150-E260 PolarHBondContact NZ-OE2 3.22Å; L257-E260 WeakPolarHBondContact CD2-OE1 3.16Å; L257-E260 WeakPolarHBondContact O-CA 3.19Å; L257-E260 WeakPolarHBondContact O-CB 3.49Å; L257-E260 PolarHBondContact O-N 3.02Å; L258-E260 VanDerWaalsContact C-N 3.34Å; L258-E260 PolarHBondContact O-N 3.37Å; E260-A264 VanDerWaalsContact O-CB 3.24Å; E260-A264 WeakPolarHBondContact O-CB 3.38Å; E260-A264 PolarHBondContact O-N 2.69Å
261L93.8Very high93Very high6 Ų633 Ų333%0.03119%0.189CC..Hα-helixtrans-68-36.9174.9-65.4172.6000111.5M1 I146 V149 V162 L257 L258 N265 I266 V269M1-L261 HydrophobicContact CE-CB 3.61Å; I146-L261 HydrophobicContact CD1-CD2 3.69Å; I146-L261 HydrophobicContact CD1-CG 4.3Å; V149-L261 HydrophobicContact CG1-CD2 4.29Å; V162-L261 HydrophobicContact CG2-CD1 4.08Å; V162-L261 HydrophobicContact CG2-CD2 4.07Å; L257-L261 HydrophobicContact CB-CD1 4.49Å; L257-L261 HydrophobicContact CB-CG 4.49Å; L257-L261 WeakPolarHBondContact O-CG 3.28Å; L257-L261 PolarHBondContact O-N 2.86Å; L258-L261 PolarHBondContact O-N 3.28Å; L261-N265 PolarHBondContact O-N 3.3Å; L261-I266 HydrophobicContact CB-CB 4.36Å; L261-I266 HydrophobicContact CB-CG1 4.29Å; L261-I266 HydrophobicContact CD2-CG1 4.04Å; L261-I266 VanDerWaalsContact O-CB 3.28Å; L261-I266 WeakPolarHBondContact O-CB 3.46Å; L261-I266 WeakPolarHBondContact O-CG1 3.47Å; L261-I266 PolarHBondContact O-N 3.24Å; L261-V269 HydrophobicContact CD1-CG1 4.42Å
262M95.1Very high93.4Very high35 Ų3532.7 Ų32.717%0.17219%0.186CC..Hα-helixtrans-68.8-44.3173-69.9-159.4-162.300112.3M1 L258 P259 A264 N265 I292 C295 K296M1-M262 HydrophobicContact CE-CB 4.46Å; M1-M262 HydrophobicContact CE-CG 3.68Å; M1-M262 HydrophobicContact SD-CE 3.81Å; M1-M262 HydrophobicContact SD-CG 3.81Å; L258-M262 HydrophobicContact CD1-CE 3.69Å; L258-M262 HydrophobicContact CD1-CG 4.47Å; L258-M262 HydrophobicContact CD2-CE 4.41Å; L258-M262 HydrophobicContact CG-CE 3.95Å; L258-M262 WeakPolarHBondContact O-CG 3.43Å; L258-M262 PolarHBondContact O-N 3.24Å; P259-M262 PolarHBondContact O-N 2.86Å; M262-A264 PolarHBondContact O-N 3.06Å; M262-N265 WeakPolarHBondContact O-CA 3.47Å; M262-N265 PolarHBondContact O-N 2.81Å; M262-I292 HydrophobicContact CE-CB 4.27Å; M262-I292 HydrophobicContact CE-CG2 3.81Å; M262-C295 HydrophobicContact CE-CB 3.63Å; M262-C295 HydrophobicContact SD-CB 4.2Å; M262-K296 HydrophobicContact CE-CG 4.06Å; M262-K296 HydrophobicContact SD-CG 3.96Å
263A94.9Very high93.5Very high83 Ų8331.4 Ų31.469%0.68618%0.18SC*.Hα-helixtrans-64.1-27176.200000112.8P259 N265P259-A263 WeakPolarHBondContact O-CB 3.17Å; P259-A263 PolarHBondContact O-N 3.21Å; A263-N265 PolarHBondContact O-N 3.02Å
264A94.3Very high93Very high13 Ų1329.4 Ų29.411%0.10717%0.168CC..THydrogen-bonded Turntrans-81.89.1170.800000113.9K150 A153 E260 M262 I266K150-A264 HydrophobicContact CG-CB 3.89Å; A153-A264 HydrophobicContact CB-CB 4.49Å; A153-A264 VanDerWaalsContact CB-O 3.3Å; A153-A264 WeakPolarHBondContact CB-O 3.36Å; E260-A264 VanDerWaalsContact O-CB 3.24Å; E260-A264 WeakPolarHBondContact O-CB 3.38Å; E260-A264 PolarHBondContact O-N 2.69Å; M262-A264 PolarHBondContact O-N 3.06Å; A264-I266 HydrophobicContact CB-CD1 4.49Å; A264-I266 HydrophobicContact CB-CG1 4.08Å; A264-I266 PolarHBondContact O-N 2.58Å
265N95.6Very high92.6Very high140 Ų14031.6 Ų31.675%0.74918%0.177SC*.THydrogen-bonded Turntrans55.527.7-178.5-62.9-57.6000115.1L261 M262 A263 A267L261-N265 PolarHBondContact O-N 3.3Å; M262-N265 WeakPolarHBondContact O-CA 3.47Å; M262-N265 PolarHBondContact O-N 2.81Å; A263-N265 PolarHBondContact O-N 3.02Å; N265-A267 PolarHBondContact O-N 3.25Å
266I97.4Very high92.4Very high1 Ų135 Ų351%0.00519%0.19CC..  trans-60.8124.7-179.3-61.8-61.1000110.3M1 V149 A153 L160 V162 L261 A264 S268M1-I266 WeakPolarHBondContact CA-O 3.37Å; M1-I266 HydrophobicContact CE-CB 4.09Å; M1-I266 HydrophobicContact CE-CG2 4.44Å; M1-I266 PolarHBondContact N-O 3.14Å; V149-I266 HydrophobicContact CG1-CD1 3.7Å; V149-I266 HydrophobicContact CG1-CG1 4.28Å; A153-I266 HydrophobicContact CB-CD1 4.16Å; L160-I266 HydrophobicContact CB-CD1 4.02Å; V162-I266 HydrophobicContact CG1-CD1 4.39Å; V162-I266 HydrophobicContact CG1-CG2 4.13Å; V162-I266 HydrophobicContact CG2-CG2 4Å; L261-I266 HydrophobicContact CB-CB 4.36Å; L261-I266 HydrophobicContact CB-CG1 4.29Å; L261-I266 HydrophobicContact CD2-CG1 4.04Å; L261-I266 VanDerWaalsContact O-CB 3.28Å; L261-I266 WeakPolarHBondContact O-CB 3.46Å; L261-I266 WeakPolarHBondContact O-CG1 3.47Å; L261-I266 PolarHBondContact O-N 3.24Å; A264-I266 HydrophobicContact CB-CD1 4.49Å; A264-I266 HydrophobicContact CB-CG1 4.08Å; A264-I266 PolarHBondContact O-N 2.58Å; I266-S268 WeakPolarHBondContact CG2-O 3.49Å
267A97.8Very high92.3Very high26 Ų2631.9 Ų31.922%0.21518%0.183CC..  trans-75-42.2-164.300000111.5M1 E2 P159 L160 N265M1-A267 CarbonylContact C-O 3.58Å; M1-A267 WeakPolarHBondContact CA-O 3.48Å; M1-A267 PolarHBondContact N-O 3.38Å; E2-A267 PolarHBondContact N-O 2.94Å; P159-A267 HydrophobicContact CB-CB 3.66Å; L160-A267 WeakPolarHBondContact O-CB 2.88Å; L160-A267 PolarHBondContact O-N 2.94Å; N265-A267 PolarHBondContact O-N 3.25Å
268S98.2Very high92.4Very high0 Ų031.3 Ų31.30%018%0.182CC..EExtended strand (participates in β ladder)trans-142.3151.1177.1-169.20000112.2E2 L4 E161 V162 I266E2-S268 WeakPolarHBondContact O-CA 3.39Å; E2-S268 PolarHBondContact O-OG 2.93Å; E2-S268 VanDerWaalsContact OE1-CB 3.31Å; E2-S268 WeakPolarHBondContact OE1-CB 3.46Å; E2-S268 PolarHBondContact OE1-OG 3.47Å; L4-S268 WeakPolarHBondContact CB-OG 3.37Å; E161-S268 WeakPolarHBondContact CA-O 3.28Å; E161-S268 WeakPolarHBondContact OE2-CB 3.31Å; V162-S268 PolarHBondContact N-O 2.77Å; I266-S268 WeakPolarHBondContact CG2-O 3.49Å
269V97.3Very high92.3Very high0 Ų034.1 Ų34.10%021%0.206CC..EExtended strand (participates in β ladder)trans-116.1122.3172-71.10000109.7M1 E2 L3 L4 V162 A164 L261 W288 I292M1-V269 HydrophobicContact CE-CG1 3.92Å; M1-V269 HydrophobicContact CG-CG1 4.13Å; M1-V269 HydrophobicContact CG-CG2 4.08Å; M1-V269 HydrophobicContact SD-CG1 3.8Å; M1-V269 HydrophobicContact SD-CG2 4.21Å; E2-V269 PolarHBondContact O-N 3.14Å; L3-V269 HydrophobicContact CD1-CG2 4.22Å; L4-V269 PolarHBondContact N-O 3.12Å; V162-V269 HydrophobicContact CG2-CG1 4.02Å; A164-V269 HydrophobicContact CB-CB 3.83Å; L261-V269 HydrophobicContact CD1-CG1 4.42Å; V269-W288 HydrophobicContact CG2-CE3 4.24Å; V269-W288 HydrophobicContact CG2-CZ3 4.46Å; V269-I292 HydrophobicContact CG2-CD1 3.68Å
270K97.5Very high92.3Very high6 Ų633.2 Ų33.23%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-104.4129.4-168.7-167.5-178.1-141.2122.90112.1L4 Y25 V139 E161 V162 F163 A164L4-K270 HydrophobicContact CD2-CD 4.24Å; L4-K270 HydrophobicContact CD2-CG 4.01Å; L4-K270 HydrophobicContact CG-CG 4.25Å; L4-K270 WeakPolarHBondContact O-CA 3.3Å; Y25-K270 HydrophobicContact CD1-CG 4.36Å; Y25-K270 HydrophobicContact CE1-CD 4.21Å; Y25-K270 HydrophobicContact CE1-CG 3.85Å; V139-K270 HydrophobicContact CG1-CD 4.19Å; E161-K270 HydrophobicContact CG-CB 4.18Å; E161-K270 VanDerWaalsContact OE1-CD 3.28Å; E161-K270 WeakPolarHBondContact OE1-CD 3.47Å; E161-K270 WeakPolarHBondContact OE1-CE 3.37Å; E161-K270 IonicContact OE1-NZ 3.67Å; E161-K270 PolarHBondContact OE1-NZ 2.55Å; V162-K270 PolarHBondContact O-N 3.01Å; F163-K270 CarbonylContact C-O 3.42Å; F163-K270 VanDerWaalsContact CA-O 3.29Å; F163-K270 WeakPolarHBondContact CA-O 3.26Å; F163-K270 HydrophobicContact CD1-CB 4.33Å; F163-K270 HydrophobicContact CD1-CD 4.27Å; F163-K270 HydrophobicContact CD1-CG 4.32Å; F163-K270 HydrophobicContact CE1-CD 3.7Å; F163-K270 HydrophobicContact CE1-CG 4.15Å; F163-K270 HydrophobicContact CZ-CD 3.9Å; A164-K270 PolarHBondContact N-O 2.71Å
271I95Very high92.3Very high2 Ų230.2 Ų30.21%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-93.5131.5176-53.1-58.1000109.6L3 L4 P6 Y25 A164 F165 Y280 V284 W288L3-I271 HydrophobicContact CD1-CD1 4.29Å; L3-I271 HydrophobicContact CD1-CG1 4.03Å; L4-I271 PolarHBondContact O-N 3.11Å; P6-I271 WeakPolarHBondContact CD-O 3.29Å; P6-I271 HydrophobicContact CG-CG2 4.35Å; Y25-I271 WeakPolarHBondContact CE1-O 3.44Å; Y25-I271 PolarHBondContact OH-O 2.87Å; A164-I271 HydrophobicContact CB-CD1 3.81Å; F165-I271 HydrophobicContact CB-CD1 3.91Å; I271-Y280 HydrophobicContact CG2-CE1 4.42Å; I271-V284 HydrophobicContact CB-CG1 4.46Å; I271-V284 HydrophobicContact CD1-CG1 3.87Å; I271-V284 HydrophobicContact CG1-CG1 4.11Å; I271-V284 HydrophobicContact CG2-CB 4.34Å; I271-V284 HydrophobicContact CG2-CG1 3.54Å; I271-W288 HydrophobicContact CD1-CD2 4.13Å; I271-W288 HydrophobicContact CD1-CG 3.85Å
272E89.6Confident92.4Very high3 Ų331.5 Ų31.51%0.01419%0.194CC..  trans-78.1144.4171-147.2-72.5155.900110.4R35 R142 F163 F165 Q275 Y280R35-E272 IonicContact CZ-OE1 3.72Å; R35-E272 VanDerWaalsContact CZ-OE1 3.28Å; R35-E272 IonicContact NE-OE1 2.79Å; R35-E272 PolarHBondContact NE-OE1 2.84Å; R35-E272 IonicContact NH2-OE1 2.58Å; R35-E272 PolarHBondContact NH2-OE1 3.3Å; R142-E272 VanDerWaalsContact NH2-CG 3.29Å; F163-E272 HydrophobicContact CD1-CB 4.43Å; F163-E272 HydrophobicContact CE1-CG 4.42Å; F165-E272 PolarHBondContact O-N 2.67Å; E272-Q275 PolarHBondContact OE2-NE2 2.92Å; E272-Y280 WeakPolarHBondContact O-CE1 3.44Å; E272-Y280 PolarHBondContact O-OH 3.4Å
273G86.5Confident92.3Very high0 Ų033.7 Ų33.70%020%0.204CC..  trans138.945.8166.900000115.4Q275 R276G273-Q275 PolarHBondContact O-N 2.96Å; G273-Q275 VanDerWaalsContact O-N 3.13Å; G273-R276 WeakPolarHBondContact O-CB 3.32Å; G273-R276 PolarHBondContact O-N 3.48Å
274R79.9Confident92.2Very high5 Ų529.8 Ų29.82%0.01917%0.171CC..THydrogen-bonded Turntrans-58.2-26.6172.6-72.3-167.4-68.7-179.81.3111.6P6 G8 Y25 I26 G27 N33P6-R274 HydrophobicContact CB-CB 4.47Å; P6-R274 HydrophobicContact CB-CG 3.81Å; G8-R274 WeakPolarHBondContact CA-O 3.28Å; G8-R274 PolarHBondContact N-O 2.93Å; G8-R274 VanDerWaalsContact N-O 3.13Å; Y25-R274 HydrophobicContact CD2-CG 4.31Å; Y25-R274 HydrophobicContact CE2-CG 3.79Å; I26-R274 PolarHBondContact O-NH1 2.88Å; G27-R274 VanDerWaalsContact CA-NH1 3.27Å; N33-R274 PolarHBondContact OD1-NH1 3.48Å; N33-R274 PolarHBondContact OD1-NH2 3.02Å
275Q80.7Confident92.3Very high61 Ų6129.1 Ų29.129%0.28517%0.166SC..THydrogen-bonded Turntrans-860.717672.4-71.7-4.200115.6F37 L40 E272 G273F37-Q275 HydrophobicContact CD2-CB 4.48Å; L40-Q275 HydrophobicContact CD1-CB 3.88Å; E272-Q275 PolarHBondContact OE2-NE2 2.92Å; G273-Q275 PolarHBondContact O-N 2.96Å; G273-Q275 VanDerWaalsContact O-N 3.13Å
276R86.8Confident92.3Very high74 Ų7427.6 Ų27.628%0.27915%0.153SC..SBendtrans-91164.1-177.5-62.2-72.3-173-160.8-3112.1S167 G273 Y280 E317S167-R276 PolarHBondContact OG-NH2 2.8Å; G273-R276 WeakPolarHBondContact O-CB 3.32Å; G273-R276 PolarHBondContact O-N 3.48Å; R276-Y280 HydrophobicContact CB-CD1 3.35Å; R276-Y280 HydrophobicContact CB-CD2 4.35Å; R276-Y280 HydrophobicContact CB-CE1 3.82Å; R276-Y280 HydrophobicContact CB-CG 3.66Å; R276-Y280 HydrophobicContact CG-CD1 3.68Å; R276-Y280 HydrophobicContact CG-CD2 4.17Å; R276-Y280 HydrophobicContact CG-CE1 3.64Å; R276-Y280 HydrophobicContact CG-CE2 4.12Å; R276-Y280 HydrophobicContact CG-CG 3.96Å; R276-E317 IonicContact CZ-OE1 3.85Å; R276-E317 IonicContact NH2-OE1 2.72Å; R276-E317 PolarHBondContact NH2-OE1 2.84Å
277S89.2Confident92.2Very high63 Ų6328 Ų2844%0.44116%0.155SC..  trans-70.7157.5179.468.20000112A279 Y280 V281S277-A279 PolarHBondContact O-N 3Å; S277-A279 VanDerWaalsContact O-N 3.17Å; S277-Y280 PolarHBondContact O-N 3.06Å; S277-Y280 PolarHBondContact OG-N 2.81Å; S277-V281 PolarHBondContact O-N 3Å
278P90.6Very high92.1Very high44 Ų4426.7 Ų26.729%0.28615%0.145SC..Hα-helixtrans-55.7-30.3171.3-25.234.5000113.2P11 A12 A15 V281 S282P11-P278 HydrophobicContact CB-CB 4.48Å; P11-P278 HydrophobicContact CB-CG 3.86Å; A12-P278 HydrophobicContact CB-CB 4.45Å; A12-P278 HydrophobicContact CB-CG 4.19Å; A15-P278 HydrophobicContact CB-CB 4.23Å; P278-V281 PolarHBondContact O-N 3.28Å; P278-S282 PolarHBondContact O-N 2.92Å; P278-S282 PolarHBondContact O-OG 3.49Å; P278-S282 VanDerWaalsContact O-OG 3.13Å
279A92.7Very high92.1Very high60 Ų6028 Ų2850%0.49615%0.15SC..Hα-helixtrans-65.7-45.3177.900000112.9S277 V281 S282 Q283S277-A279 PolarHBondContact O-N 3Å; S277-A279 VanDerWaalsContact O-N 3.17Å; A279-V281 VanDerWaalsContact C-N 3.32Å; A279-V281 PolarHBondContact O-N 2.96Å; A279-S282 PolarHBondContact O-N 3.33Å; A279-Q283 WeakPolarHBondContact O-CG 3.39Å; A279-Q283 PolarHBondContact O-N 3.5Å
280Y93Very high92.1Very high10 Ų1032 Ų324%0.03917%0.169CC..Hα-helixtrans-57.7-47.1171.6168.1-82.2000110.4F165 I271 E272 R276 S277 S282 Q283 V284 M315F165-Y280 AromaticContact CE1-CE2 3.85Å; F165-Y280 HydrophobicContact CE1-CE2 3.85Å; F165-Y280 AromaticContact CE1-CZ 3.96Å; I271-Y280 HydrophobicContact CG2-CE1 4.42Å; E272-Y280 WeakPolarHBondContact O-CE1 3.44Å; E272-Y280 PolarHBondContact O-OH 3.4Å; R276-Y280 HydrophobicContact CB-CD1 3.35Å; R276-Y280 HydrophobicContact CB-CD2 4.35Å; R276-Y280 HydrophobicContact CB-CE1 3.82Å; R276-Y280 HydrophobicContact CB-CG 3.66Å; R276-Y280 HydrophobicContact CG-CD1 3.68Å; R276-Y280 HydrophobicContact CG-CD2 4.17Å; R276-Y280 HydrophobicContact CG-CE1 3.64Å; R276-Y280 HydrophobicContact CG-CE2 4.12Å; R276-Y280 HydrophobicContact CG-CG 3.96Å; S277-Y280 PolarHBondContact O-N 3.06Å; S277-Y280 PolarHBondContact OG-N 2.81Å; Y280-S282 PolarHBondContact O-N 3.22Å; Y280-Q283 PolarHBondContact O-N 2.84Å; Y280-V284 HydrophobicContact CD1-CG2 4.39Å; Y280-V284 HydrophobicContact CD2-CG2 4.26Å; Y280-V284 HydrophobicContact CE1-CG2 4.26Å; Y280-V284 HydrophobicContact CE2-CG2 4.16Å; Y280-V284 HydrophobicContact CG-CG2 4.39Å; Y280-V284 WeakPolarHBondContact O-CB 3.33Å; Y280-V284 WeakPolarHBondContact O-CG2 3.12Å; Y280-V284 PolarHBondContact O-N 3.49Å; Y280-M315 HydrophobicContact CD2-CB 4.01Å; Y280-M315 HydrophobicContact CD2-CG 4.26Å; Y280-M315 HydrophobicContact CD2-SD 3.94Å; Y280-M315 HydrophobicContact CE2-CB 4.09Å
281V93.2Very high92Very high3 Ų331.8 Ų31.82%0.01817%0.167CC..Hα-helixtrans-63.5-44.6-178.2178.40000111.2P6 A12 A16 S277 P278 A279 A285P6-V281 HydrophobicContact CG-CG2 4.43Å; A12-V281 HydrophobicContact CB-CG2 4.36Å; A16-V281 HydrophobicContact CB-CG1 3.65Å; S277-V281 PolarHBondContact O-N 3Å; P278-V281 PolarHBondContact O-N 3.28Å; A279-V281 VanDerWaalsContact C-N 3.32Å; A279-V281 PolarHBondContact O-N 2.96Å; V281-A285 WeakPolarHBondContact O-CB 3.32Å; V281-A285 PolarHBondContact O-N 3.35Å
282S94.6Very high92Very high32 Ų3231.7 Ų31.722%0.22417%0.167CC..Hα-helixtrans-55.8-51.9173.3-680000112.5A15 N19 P278 A279 Y280 K286A15-S282 VanDerWaalsContact CB-OG 3.32Å; A15-S282 WeakPolarHBondContact CB-OG 3.36Å; N19-S282 WeakPolarHBondContact CB-O 3.4Å; N19-S282 PolarHBondContact ND2-OG 3.12Å; P278-S282 PolarHBondContact O-N 2.92Å; P278-S282 PolarHBondContact O-OG 3.49Å; P278-S282 VanDerWaalsContact O-OG 3.13Å; A279-S282 PolarHBondContact O-N 3.33Å; Y280-S282 PolarHBondContact O-N 3.22Å; S282-K286 WeakPolarHBondContact O-CB 3.39Å; S282-K286 PolarHBondContact O-N 2.98Å
283Q94.1Very high92.4Very high81 Ų8135 Ų3538%0.37919%0.185SC..Hα-helixtrans-65.8-48.9-174.7-74.3177.6-18.800111.8A279 Y280 K286 V287 T311 M315A279-Q283 WeakPolarHBondContact O-CG 3.39Å; A279-Q283 PolarHBondContact O-N 3.5Å; Y280-Q283 PolarHBondContact O-N 2.84Å; Q283-K286 PolarHBondContact O-N 3.37Å; Q283-V287 WeakPolarHBondContact O-CG2 3.38Å; Q283-V287 PolarHBondContact O-N 3.28Å; Q283-T311 HydrophobicContact CB-CG2 4.22Å; Q283-M315 VanDerWaalsContact OE1-CE 3.29Å
284V93.2Very high92.8Very high1 Ų141.4 Ų41.41%0.00621%0.209CC..Hα-helixtrans-67.5-42.5-178.8-178.80000110.9F165 I271 Y280 K286 V287 W288 L312F165-V284 HydrophobicContact CB-CG1 4.25Å; F165-V284 HydrophobicContact CD1-CB 4.46Å; F165-V284 HydrophobicContact CD1-CG1 3.64Å; F165-V284 HydrophobicContact CD1-CG2 3.87Å; F165-V284 HydrophobicContact CE1-CG1 4.36Å; F165-V284 HydrophobicContact CE1-CG2 3.75Å; F165-V284 HydrophobicContact CG-CG1 4.14Å; I271-V284 HydrophobicContact CB-CG1 4.46Å; I271-V284 HydrophobicContact CD1-CG1 3.87Å; I271-V284 HydrophobicContact CG1-CG1 4.11Å; I271-V284 HydrophobicContact CG2-CB 4.34Å; I271-V284 HydrophobicContact CG2-CG1 3.54Å; Y280-V284 HydrophobicContact CD1-CG2 4.39Å; Y280-V284 HydrophobicContact CD2-CG2 4.26Å; Y280-V284 HydrophobicContact CE1-CG2 4.26Å; Y280-V284 HydrophobicContact CE2-CG2 4.16Å; Y280-V284 HydrophobicContact CG-CG2 4.39Å; Y280-V284 WeakPolarHBondContact O-CB 3.33Å; Y280-V284 WeakPolarHBondContact O-CG2 3.12Å; Y280-V284 PolarHBondContact O-N 3.49Å; V284-K286 PolarHBondContact O-N 2.93Å; V284-V287 PolarHBondContact O-N 3.12Å; V284-W288 WeakPolarHBondContact O-CB 3.42Å; V284-W288 PolarHBondContact O-N 2.92Å; V284-L312 HydrophobicContact CB-CD2 4.38Å; V284-L312 HydrophobicContact CG1-CD2 4.07Å; V284-L312 HydrophobicContact CG2-CD2 4.02Å
285A95Very high93.5Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-59.9-46175.600000111.7N19 V281 W288 R289N19-A285 HydrophobicContact CB-CB 3.97Å; V281-A285 WeakPolarHBondContact O-CB 3.32Å; V281-A285 PolarHBondContact O-N 3.35Å; A285-W288 PolarHBondContact O-N 3.13Å; A285-R289 VanDerWaalsContact O-CB 3.27Å; A285-R289 WeakPolarHBondContact O-CB 3.47Å; A285-R289 PolarHBondContact O-N 3.25Å
286K96Very high94.2Very high108 Ų10843.3 Ų43.347%0.4722%0.216SC..Hα-helixtrans-61.1-46.8179.4-176.3176.4178.6-1800112.4N19 S282 Q283 V284 Q290N19-K286 HydrophobicContact CB-CB 4.08Å; S282-K286 WeakPolarHBondContact O-CB 3.39Å; S282-K286 PolarHBondContact O-N 2.98Å; Q283-K286 PolarHBondContact O-N 3.37Å; V284-K286 PolarHBondContact O-N 2.93Å; K286-Q290 VanDerWaalsContact O-CG 3.28Å; K286-Q290 WeakPolarHBondContact O-CG 3.43Å; K286-Q290 PolarHBondContact O-N 2.86Å; K286-Q290 VanDerWaalsContact O-N 3.1Å
287V95.4Very high94.6Very high8 Ų843.9 Ų43.95%0.04824%0.237CC..Hα-helixtrans-62.4-49178.1167.90000110.7L255 Q283 V284 R289 Q290 A291 W308 T311 L312L255-V287 HydrophobicContact CD2-CG1 4.07Å; Q283-V287 WeakPolarHBondContact O-CG2 3.38Å; Q283-V287 PolarHBondContact O-N 3.28Å; V284-V287 PolarHBondContact O-N 3.12Å; V287-R289 PolarHBondContact O-N 2.83Å; V287-Q290 PolarHBondContact O-N 2.87Å; V287-A291 WeakPolarHBondContact O-CB 3.36Å; V287-A291 PolarHBondContact O-N 3.47Å; V287-W308 HydrophobicContact CG1-CB 3.63Å; V287-W308 HydrophobicContact CG1-CD2 4.5Å; V287-W308 HydrophobicContact CG1-CG 3.78Å; V287-T311 HydrophobicContact CG2-CG2 3.94Å; V287-L312 HydrophobicContact CB-CD2 4.48Å; V287-L312 HydrophobicContact CG1-CD1 3.96Å; V287-L312 HydrophobicContact CG1-CD2 4.27Å; V287-L312 HydrophobicContact CG1-CG 3.99Å
288W96.4Very high94.9Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-66.5-37.9-179.6-84.786.4000112.8L3 A164 F165 T254 L255 L258 V269 I271 V284 A285 A291 I292L3-W288 HydrophobicContact CD1-CB 3.81Å; L3-W288 HydrophobicContact CD2-CB 4.03Å; A164-W288 HydrophobicContact CB-CD2 4.03Å; A164-W288 HydrophobicContact CB-CE3 3.93Å; A164-W288 HydrophobicContact CB-CH2 3.42Å; A164-W288 VanDerWaalsContact CB-CH2 3.42Å; A164-W288 HydrophobicContact CB-CZ2 3.52Å; A164-W288 HydrophobicContact CB-CZ3 3.62Å; A164-W288 WeakPolarHBondContact O-CZ2 2.94Å; F165-W288 HydrophobicContact CB-CZ2 4.46Å; T254-W288 WeakPolarHBondContact OG1-CH2 3.29Å; L255-W288 HydrophobicContact CB-CH2 4.26Å; L255-W288 HydrophobicContact CB-CZ2 3.98Å; L255-W288 HydrophobicContact CD1-CD2 3.68Å; L255-W288 HydrophobicContact CD1-CE3 3.87Å; L255-W288 HydrophobicContact CD1-CG 4.27Å; L255-W288 HydrophobicContact CD1-CH2 3.87Å; L255-W288 HydrophobicContact CD1-CZ2 3.67Å; L255-W288 HydrophobicContact CD1-CZ3 3.98Å; L255-W288 HydrophobicContact CG-CZ2 4.48Å; L258-W288 HydrophobicContact CD1-CZ3 4.24Å; V269-W288 HydrophobicContact CG2-CE3 4.24Å; V269-W288 HydrophobicContact CG2-CZ3 4.46Å; I271-W288 HydrophobicContact CD1-CD2 4.13Å; I271-W288 HydrophobicContact CD1-CG 3.85Å; V284-W288 WeakPolarHBondContact O-CB 3.42Å; V284-W288 PolarHBondContact O-N 2.92Å; A285-W288 PolarHBondContact O-N 3.13Å; W288-A291 PolarHBondContact O-N 3.37Å; W288-I292 HydrophobicContact CE3-CD1 4.35Å; W288-I292 HydrophobicContact CE3-CG1 4.44Å; W288-I292 WeakPolarHBondContact O-CB 3.28Å; W288-I292 VanDerWaalsContact O-CD1 3.3Å; W288-I292 WeakPolarHBondContact O-CD1 3.35Å; W288-I292 WeakPolarHBondContact O-CG1 3.37Å; W288-I292 PolarHBondContact O-N 3.28Å
289R97.6Very high94.9Very high27 Ų2744.4 Ų44.410%0.10224%0.236CC..Hα-helixtrans-55.8-54.3172.3-179.671.5-88.3139.7-0.9111L3 G20 D22 A285 V287 A291 I292 D293L3-R289 HydrophobicContact CD2-CB 4.18Å; G20-R289 WeakPolarHBondContact O-CD 3.31Å; G20-R289 PolarHBondContact O-NH1 2.78Å; D22-R289 IonicContact OD1-NH1 2.76Å; D22-R289 PolarHBondContact OD1-NH1 2.79Å; D22-R289 IonicContact OD2-CZ 3.59Å; D22-R289 IonicContact OD2-NH1 3.53Å; D22-R289 PolarHBondContact OD2-NH1 2.91Å; A285-R289 VanDerWaalsContact O-CB 3.27Å; A285-R289 WeakPolarHBondContact O-CB 3.47Å; A285-R289 PolarHBondContact O-N 3.25Å; V287-R289 PolarHBondContact O-N 2.83Å; R289-A291 VanDerWaalsContact C-N 3.33Å; R289-A291 PolarHBondContact O-N 2.98Å; R289-I292 PolarHBondContact O-N 2.98Å; R289-D293 IonicContact CZ-OD1 2.67Å; R289-D293 IonicContact CZ-OD2 3.35Å; R289-D293 VanDerWaalsContact NE-CG 3.33Å; R289-D293 IonicContact NE-OD1 3.97Å; R289-D293 PolarHBondContact NE-OD1 2.66Å; R289-D293 IonicContact NE-OD2 3.17Å; R289-D293 PolarHBondContact NE-OD2 2.78Å; R289-D293 IonicContact NH2-OD1 2.93Å; R289-D293 PolarHBondContact NH2-OD1 2.83Å; R289-D293 IonicContact NH2-OD2 2.65Å; R289-D293 VanDerWaalsContact O-CG 3.3Å; R289-D293 PolarHBondContact O-N 3.32Å
290Q96.4Very high94.8Very high85 Ų8550.1 Ų50.140%0.39725%0.253SS..Hα-helixtrans-59.6-42-179.3-72.1179.6-11.200112.2K286 V287 R294 W308K286-Q290 VanDerWaalsContact O-CG 3.28Å; K286-Q290 WeakPolarHBondContact O-CG 3.43Å; K286-Q290 PolarHBondContact O-N 2.86Å; K286-Q290 VanDerWaalsContact O-N 3.1Å; V287-Q290 PolarHBondContact O-N 2.87Å; Q290-R294 VanDerWaalsContact O-CB 3.28Å; Q290-R294 WeakPolarHBondContact O-CB 3.41Å; Q290-R294 PolarHBondContact O-N 2.62Å; Q290-W308 HydrophobicContact CB-CZ2 3.69Å
291A95.4Very high94.7Very high0 Ų054.9 Ų54.90%028%0.279CS..Hα-helixtrans-66.8-44.117700000112.5L255 L258 V287 W288 R289 D293 R294 C295 F302 W308L255-A291 HydrophobicContact CD1-CB 3.51Å; L255-A291 HydrophobicContact CG-CB 4.2Å; L258-A291 VanDerWaalsContact CD2-C 3.49Å; L258-A291 HydrophobicContact CD2-CB 3.75Å; L258-A291 WeakPolarHBondContact CD2-O 3.09Å; V287-A291 WeakPolarHBondContact O-CB 3.36Å; V287-A291 PolarHBondContact O-N 3.47Å; W288-A291 PolarHBondContact O-N 3.37Å; R289-A291 VanDerWaalsContact C-N 3.33Å; R289-A291 PolarHBondContact O-N 2.98Å; A291-D293 VanDerWaalsContact C-N 3.33Å; A291-D293 PolarHBondContact O-N 3.4Å; A291-R294 PolarHBondContact O-N 2.91Å; A291-C295 VanDerWaalsContact O-CB 3.28Å; A291-C295 WeakPolarHBondContact O-CB 3.38Å; A291-C295 PolarHBondContact O-N 2.93Å; A291-F302 HydrophobicContact CB-CE2 4.18Å; A291-F302 HydrophobicContact CB-CZ 4.14Å; A291-F302 WeakPolarHBondContact O-CE2 3.48Å; A291-W308 HydrophobicContact CB-CE3 4.04Å; A291-W308 HydrophobicContact CB-CH2 4.23Å; A291-W308 HydrophobicContact CB-CZ3 3.8Å
292I96.3Very high94.7Very high0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-63.1-39.9177.4-65.9161.1000110.6M1 L3 L258 M262 V269 W288 R289 K296M1-I292 HydrophobicContact SD-CG1 4.43Å; L3-I292 HydrophobicContact CB-CD1 3.89Å; L3-I292 HydrophobicContact CD1-CD1 4.17Å; L3-I292 HydrophobicContact CD2-CD1 4.42Å; L3-I292 HydrophobicContact CG-CD1 4.38Å; L258-I292 HydrophobicContact CD1-CG1 4.06Å; L258-I292 HydrophobicContact CD2-CG1 4.18Å; M262-I292 HydrophobicContact CE-CB 4.27Å; M262-I292 HydrophobicContact CE-CG2 3.81Å; V269-I292 HydrophobicContact CG2-CD1 3.68Å; W288-I292 HydrophobicContact CE3-CD1 4.35Å; W288-I292 HydrophobicContact CE3-CG1 4.44Å; W288-I292 WeakPolarHBondContact O-CB 3.28Å; W288-I292 VanDerWaalsContact O-CD1 3.3Å; W288-I292 WeakPolarHBondContact O-CD1 3.35Å; W288-I292 WeakPolarHBondContact O-CG1 3.37Å; W288-I292 PolarHBondContact O-N 3.28Å; R289-I292 PolarHBondContact O-N 2.98Å; I292-K296 HydrophobicContact CG2-CD 3.98Å; I292-K296 VanDerWaalsContact CG2-CE 3.46Å; I292-K296 HydrophobicContact CG2-CG 4.49Å; I292-K296 WeakPolarHBondContact O-CB 3.29Å; I292-K296 VanDerWaalsContact O-CG 3.22Å; I292-K296 WeakPolarHBondContact O-CG 3.4Å; I292-K296 PolarHBondContact O-N 2.84Å
293D96.7Very high94.5Very high73 Ų7359.3 Ų59.339%0.3930%0.303SS..Hα-helixtrans-72.7-38.1178.4-63.4-27.7000112R289 A291 K296 A297R289-D293 IonicContact CZ-OD1 2.67Å; R289-D293 IonicContact CZ-OD2 3.35Å; R289-D293 VanDerWaalsContact NE-CG 3.33Å; R289-D293 IonicContact NE-OD1 3.97Å; R289-D293 PolarHBondContact NE-OD1 2.66Å; R289-D293 IonicContact NE-OD2 3.17Å; R289-D293 PolarHBondContact NE-OD2 2.78Å; R289-D293 IonicContact NH2-OD1 2.93Å; R289-D293 PolarHBondContact NH2-OD1 2.83Å; R289-D293 IonicContact NH2-OD2 2.65Å; R289-D293 VanDerWaalsContact O-CG 3.3Å; R289-D293 PolarHBondContact O-N 3.32Å; A291-D293 VanDerWaalsContact C-N 3.33Å; A291-D293 PolarHBondContact O-N 3.4Å; D293-K296 PolarHBondContact O-N 3.28Å; D293-A297 WeakPolarHBondContact O-CB 3.12Å; D293-A297 PolarHBondContact O-N 3.04Å
294R95.7Very high94.3Very high134 Ų13456.5 Ų56.551%0.50629%0.292SS..Hα-helixtrans-61.7-45.7172.6-178.460.9178.6-178.64.4111.7Q290 A291 A297 D298 F302 W308Q290-R294 VanDerWaalsContact O-CB 3.28Å; Q290-R294 WeakPolarHBondContact O-CB 3.41Å; Q290-R294 PolarHBondContact O-N 2.62Å; A291-R294 PolarHBondContact O-N 2.91Å; R294-A297 PolarHBondContact O-N 2.9Å; R294-D298 PolarHBondContact O-N 3.06Å; R294-F302 HydrophobicContact CB-CD2 4.4Å; R294-F302 HydrophobicContact CB-CE2 4.39Å; R294-F302 HydrophobicContact CG-CD2 4.09Å; R294-F302 HydrophobicContact CG-CE2 4.38Å; R294-W308 HydrophobicContact CB-CH2 4.06Å; R294-W308 HydrophobicContact CG-CH2 4.3Å
295C95.1Very high94.3Very high0 Ų061.3 Ų61.30%031%0.314CS..Hα-helixtrans-70.5-30.4178.7-171.70000112.8L258 M262 A291 D298 P299 F302L258-C295 HydrophobicContact CD2-CB 3.95Å; L258-C295 HydrophobicContact CG-CB 4.02Å; M262-C295 HydrophobicContact CE-CB 3.63Å; M262-C295 HydrophobicContact SD-CB 4.2Å; A291-C295 VanDerWaalsContact O-CB 3.28Å; A291-C295 WeakPolarHBondContact O-CB 3.38Å; A291-C295 PolarHBondContact O-N 2.93Å; C295-D298 CarbonylContact O-C 3.16Å; C295-P299 VanDerWaalsContact O-CA 3.29Å; C295-P299 WeakPolarHBondContact O-CA 3.41Å; C295-P299 VanDerWaalsContact O-CB 3.3Å; C295-P299 WeakPolarHBondContact O-CB 3.35Å; C295-P299 WeakPolarHBondContact O-CD 3.33Å; C295-P299 VanDerWaalsContact O-N 3.13Å; C295-F302 HydrophobicContact CB-CB 4.42Å; C295-F302 HydrophobicContact CB-CD2 3.51Å; C295-F302 HydrophobicContact CB-CE2 3.91Å; C295-F302 HydrophobicContact CB-CG 3.96Å
296K94.4Very high94.1Very high107 Ų10766.3 Ų66.347%0.46535%0.349SS..Hα-helixtrans-68.7-34.3171.2-79.2170.2-178.3175.30112.3M1 M262 I292 D293M1-K296 PolarHBondContact O-NZ 3.28Å; M262-K296 HydrophobicContact CE-CG 4.06Å; M262-K296 HydrophobicContact SD-CG 3.96Å; I292-K296 HydrophobicContact CG2-CD 3.98Å; I292-K296 VanDerWaalsContact CG2-CE 3.46Å; I292-K296 HydrophobicContact CG2-CG 4.49Å; I292-K296 WeakPolarHBondContact O-CB 3.29Å; I292-K296 VanDerWaalsContact O-CG 3.22Å; I292-K296 WeakPolarHBondContact O-CG 3.4Å; I292-K296 PolarHBondContact O-N 2.84Å; D293-K296 PolarHBondContact O-N 3.28Å
297A95.5Very high94Very high86 Ų8663.7 Ų63.771%0.71135%0.347SS*.Hα-helixtrans-78.4-37.8179.400000113D293 R294D293-A297 WeakPolarHBondContact O-CB 3.12Å; D293-A297 PolarHBondContact O-N 3.04Å; R294-A297 PolarHBondContact O-N 2.9Å
298D95Very high93.9Very high46 Ų4663.9 Ų63.925%0.24635%0.347CS..  trans-147.492.9175-173.4-13.7000110.2R294 C295 Q300 N301 F302R294-D298 PolarHBondContact O-N 3.06Å; C295-D298 CarbonylContact O-C 3.16Å; D298-Q300 VanDerWaalsContact C-N 3.33Å; D298-Q300 PolarHBondContact OD1-N 2.78Å; D298-Q300 VanDerWaalsContact OD1-N 3.12Å; D298-N301 PolarHBondContact OD1-N 3.32Å; D298-N301 PolarHBondContact OD1-ND2 2.91Å; D298-N301 VanDerWaalsContact OD1-ND2 3.11Å; D298-N301 WeakPolarHBondContact OD2-CB 3.49Å; D298-N301 PolarHBondContact OD2-ND2 2.86Å; D298-F302 PolarHBondContact O-N 3.46Å
299P90.7Very high93.5Very high71 Ų7166.5 Ų66.546%0.46136%0.36SS..SBendtrans-79-14.7178.729.6-33.8000113.3C295C295-P299 VanDerWaalsContact O-CA 3.29Å; C295-P299 WeakPolarHBondContact O-CA 3.41Å; C295-P299 VanDerWaalsContact O-CB 3.3Å; C295-P299 WeakPolarHBondContact O-CB 3.35Å; C295-P299 WeakPolarHBondContact O-CD 3.33Å; C295-P299 VanDerWaalsContact O-N 3.13Å
300Q90.7Very high93.1Very high180 Ų18072.3 Ų72.384%0.84139%0.388SS*.SBendtrans-86.6-35.4-176.7-66.6-174.51.600111.6D298D298-Q300 VanDerWaalsContact C-N 3.33Å; D298-Q300 PolarHBondContact OD1-N 2.78Å; D298-Q300 VanDerWaalsContact OD1-N 3.12Å
301N91.9Very high92.8Very high110 Ų11070.3 Ų70.359%0.58838%0.382SS*.SBendtrans-10725.8176.6-47.3-78.5000112.4D298 V303D298-N301 PolarHBondContact OD1-N 3.32Å; D298-N301 PolarHBondContact OD1-ND2 2.91Å; D298-N301 VanDerWaalsContact OD1-ND2 3.11Å; D298-N301 WeakPolarHBondContact OD2-CB 3.49Å; D298-N301 PolarHBondContact OD2-ND2 2.86Å; N301-V303 PolarHBondContact O-N 2.72Å
302F92.6Very high92.3Very high19 Ų1970.3 Ų70.38%0.08338%0.382CS..  trans-71.8121.7175.5177.5-92.2000111L255 L258 P259 A291 R294 C295 D298 P304 W308L255-F302 WeakPolarHBondContact O-CE1 3.49Å; L258-F302 HydrophobicContact CB-CE1 4.09Å; L258-F302 HydrophobicContact CB-CZ 4.31Å; L258-F302 HydrophobicContact CD2-CE1 4.39Å; L258-F302 HydrophobicContact CD2-CE2 4.11Å; L258-F302 HydrophobicContact CD2-CZ 3.8Å; P259-F302 HydrophobicContact CG-CB 3.79Å; P259-F302 HydrophobicContact CG-CD1 3.41Å; P259-F302 VanDerWaalsContact CG-CD1 3.41Å; P259-F302 HydrophobicContact CG-CE1 4.3Å; P259-F302 HydrophobicContact CG-CG 3.87Å; A291-F302 HydrophobicContact CB-CE2 4.18Å; A291-F302 HydrophobicContact CB-CZ 4.14Å; A291-F302 WeakPolarHBondContact O-CE2 3.48Å; R294-F302 HydrophobicContact CB-CD2 4.4Å; R294-F302 HydrophobicContact CB-CE2 4.39Å; R294-F302 HydrophobicContact CG-CD2 4.09Å; R294-F302 HydrophobicContact CG-CE2 4.38Å; C295-F302 HydrophobicContact CB-CB 4.42Å; C295-F302 HydrophobicContact CB-CD2 3.51Å; C295-F302 HydrophobicContact CB-CE2 3.91Å; C295-F302 HydrophobicContact CB-CG 3.96Å; D298-F302 PolarHBondContact O-N 3.46Å; F302-P304 HydrophobicContact CE1-CG 3.74Å; F302-P304 HydrophobicContact CZ-CG 4.04Å; F302-W308 HydrophobicContact CE2-CZ3 4.07Å; F302-W308 HydrophobicContact CZ-CZ3 4.34Å
303V90.9Very high91.7Very high109 Ų10972.4 Ų72.466%0.66140%0.404SS*.  trans-134.8130.9169.2-177.10000107.1N301 Q305N301-V303 PolarHBondContact O-N 2.72Å; V303-Q305 PolarHBondContact O-N 3.25Å
304P88.9Confident91.1Very high23 Ų2372.8 Ų72.815%0.14941%0.412CS..  trans-59137.2173.7-28.938.8000112.6L255 E256 F302 W308 M309L255-P304 HydrophobicContact CD2-CB 4.06Å; L255-P304 HydrophobicContact CG-CB 4.43Å; L255-P304 HydrophobicContact CG-CG 4.36Å; E256-P304 HydrophobicContact CB-CG 4.41Å; E256-P304 HydrophobicContact CG-CG 3.75Å; F302-P304 HydrophobicContact CE1-CG 3.74Å; F302-P304 HydrophobicContact CZ-CG 4.04Å; P304-W308 HydrophobicContact CB-CE3 4.35Å; P304-M309 HydrophobicContact CB-CG 3.99Å; P304-M309 HydrophobicContact CB-SD 4.06Å
305Q94Very high90.5Very high102 Ų10268.9 Ų68.948%0.47740%0.4SS..  trans-69.6139.7174-60-177.5-4.600110.1V303 A307 W308 M309V303-Q305 PolarHBondContact O-N 3.25Å; Q305-A307 PolarHBondContact O-N 2.96Å; Q305-A307 VanDerWaalsContact O-N 3.17Å; Q305-W308 HydrophobicContact CB-CB 4.49Å; Q305-W308 HydrophobicContact CB-CD2 3.77Å; Q305-W308 HydrophobicContact CB-CE3 3.98Å; Q305-W308 HydrophobicContact CB-CG 4.01Å; Q305-W308 HydrophobicContact CB-CZ3 4.47Å; Q305-W308 HydrophobicContact CG-CD2 3.98Å; Q305-W308 HydrophobicContact CG-CE3 4Å; Q305-W308 HydrophobicContact CG-CH2 3.94Å; Q305-W308 HydrophobicContact CG-CZ2 3.92Å; Q305-W308 HydrophobicContact CG-CZ3 3.99Å; Q305-W308 VanDerWaalsContact N-CE3 3.27Å; Q305-W308 WeakPolarHBondContact O-CA 3.42Å; Q305-W308 VanDerWaalsContact O-CB 3.31Å; Q305-W308 WeakPolarHBondContact O-CB 3.49Å; Q305-W308 PolarHBondContact O-N 3.07Å; Q305-M309 PolarHBondContact O-N 2.99Å
306S91.5Very high89.6Confident105 Ų10570.7 Ų70.773%0.73441%0.413SS*.Hα-helixtrans-54.4-39.1179-43.90000112.3W308 M309 E310S306-W308 VanDerWaalsContact C-N 3.31Å; S306-W308 PolarHBondContact O-N 2.98Å; S306-M309 PolarHBondContact O-N 3.1Å; S306-M309 VanDerWaalsContact O-N 3.17Å; S306-E310 WeakPolarHBondContact O-CB 3.18Å; S306-E310 PolarHBondContact O-N 2.91Å
307A93.3Very high88.3Confident52 Ų5268.3 Ų68.343%0.4340%0.404SS..Hα-helixtrans-64.6-28.7176.100000113.9Q305 T311Q305-A307 PolarHBondContact O-N 2.96Å; Q305-A307 VanDerWaalsContact O-N 3.17Å; A307-T311 VanDerWaalsContact O-CB 3.31Å; A307-T311 WeakPolarHBondContact O-CB 3.42Å; A307-T311 PolarHBondContact O-N 2.9Å; A307-T311 PolarHBondContact O-OG1 3.41Å
308W92.6Very high86.4Confident12 Ų1266.3 Ų66.35%0.04539%0.391CS..Hα-helixtrans-69.8-44.8171.5-66.3-20.1000110.8L255 V287 Q290 A291 R294 F302 P304 Q305 S306 T311 L312L255-W308 HydrophobicContact CD2-CB 3.83Å; L255-W308 HydrophobicContact CD2-CE3 4.11Å; V287-W308 HydrophobicContact CG1-CB 3.63Å; V287-W308 HydrophobicContact CG1-CD2 4.5Å; V287-W308 HydrophobicContact CG1-CG 3.78Å; Q290-W308 HydrophobicContact CB-CZ2 3.69Å; A291-W308 HydrophobicContact CB-CE3 4.04Å; A291-W308 HydrophobicContact CB-CH2 4.23Å; A291-W308 HydrophobicContact CB-CZ3 3.8Å; R294-W308 HydrophobicContact CB-CH2 4.06Å; R294-W308 HydrophobicContact CG-CH2 4.3Å; F302-W308 HydrophobicContact CE2-CZ3 4.07Å; F302-W308 HydrophobicContact CZ-CZ3 4.34Å; P304-W308 HydrophobicContact CB-CE3 4.35Å; Q305-W308 HydrophobicContact CB-CB 4.49Å; Q305-W308 HydrophobicContact CB-CD2 3.77Å; Q305-W308 HydrophobicContact CB-CE3 3.98Å; Q305-W308 HydrophobicContact CB-CG 4.01Å; Q305-W308 HydrophobicContact CB-CZ3 4.47Å; Q305-W308 HydrophobicContact CG-CD2 3.98Å; Q305-W308 HydrophobicContact CG-CE3 4Å; Q305-W308 HydrophobicContact CG-CH2 3.94Å; Q305-W308 HydrophobicContact CG-CZ2 3.92Å; Q305-W308 HydrophobicContact CG-CZ3 3.99Å; Q305-W308 VanDerWaalsContact N-CE3 3.27Å; Q305-W308 WeakPolarHBondContact O-CA 3.42Å; Q305-W308 VanDerWaalsContact O-CB 3.31Å; Q305-W308 WeakPolarHBondContact O-CB 3.49Å; Q305-W308 PolarHBondContact O-N 3.07Å; S306-W308 VanDerWaalsContact C-N 3.31Å; S306-W308 PolarHBondContact O-N 2.98Å; W308-T311 PolarHBondContact O-N 2.84Å; W308-L312 WeakPolarHBondContact O-CB 3.33Å; W308-L312 WeakPolarHBondContact O-CG 3.46Å; W308-L312 PolarHBondContact O-N 3.14Å
309M89.4Confident84.1Confident56 Ų5671 Ų7128%0.27642%0.422SS..Hα-helixtrans-68.1-37.5179.4-62.7-60.6-7900111.9L255 E256 P304 Q305 S306 G313L255-M309 HydrophobicContact CB-SD 4.15Å; L255-M309 HydrophobicContact CD2-SD 3.95Å; E256-M309 HydrophobicContact CG-CE 4.26Å; E256-M309 WeakPolarHBondContact OE1-CE 3.37Å; P304-M309 HydrophobicContact CB-CG 3.99Å; P304-M309 HydrophobicContact CB-SD 4.06Å; Q305-M309 PolarHBondContact O-N 2.99Å; S306-M309 PolarHBondContact O-N 3.1Å; S306-M309 VanDerWaalsContact O-N 3.17Å; M309-G313 PolarHBondContact O-N 3.48Å
310E89.3Confident81.6Confident148 Ų14872.6 Ų72.669%0.69242%0.423SS*.Hα-helixtrans-61.9-48.5170.6-177.4180-165.200111.6S306 L312 G313 S314S306-E310 WeakPolarHBondContact O-CB 3.18Å; S306-E310 PolarHBondContact O-N 2.91Å; E310-L312 PolarHBondContact O-N 2.97Å; E310-G313 PolarHBondContact O-N 2.89Å; E310-S314 PolarHBondContact O-N 3.31Å
311T88.9Confident78.7Confident43 Ų4368.8 Ų68.826%0.26441%0.412SS..Hα-helixtrans-59.2-48.8177.3-600000111.1Q283 V287 A307 W308 S314 M315Q283-T311 HydrophobicContact CB-CG2 4.22Å; V287-T311 HydrophobicContact CG2-CG2 3.94Å; A307-T311 VanDerWaalsContact O-CB 3.31Å; A307-T311 WeakPolarHBondContact O-CB 3.42Å; A307-T311 PolarHBondContact O-N 2.9Å; A307-T311 PolarHBondContact O-OG1 3.41Å; W308-T311 PolarHBondContact O-N 2.84Å; T311-S314 PolarHBondContact O-N 2.84Å; T311-S314 PolarHBondContact O-OG 3.33Å; T311-M315 WeakPolarHBondContact O-CG 3.17Å
312L86Confident76.1Confident0 Ų066.2 Ų66.20%040%0.401CS..Hα-helixtrans-67.5-37.2178.2-68.3-178.4000112.2F165 L255 V284 V287 W308 E310 S314 M315 S316F165-L312 HydrophobicContact CD1-CD2 4.32Å; F165-L312 HydrophobicContact CD2-CB 4.31Å; F165-L312 HydrophobicContact CD2-CD1 4.26Å; F165-L312 HydrophobicContact CD2-CD2 4.02Å; F165-L312 HydrophobicContact CD2-CG 4.43Å; F165-L312 HydrophobicContact CE1-CD2 4.27Å; F165-L312 HydrophobicContact CE2-CB 3.75Å; F165-L312 HydrophobicContact CE2-CD2 4Å; F165-L312 HydrophobicContact CE2-CG 4.29Å; F165-L312 HydrophobicContact CG-CD2 4.2Å; F165-L312 HydrophobicContact CZ-CB 4.23Å; F165-L312 HydrophobicContact CZ-CD2 4.12Å; F165-L312 WeakPolarHBondContact CZ-O 3.2Å; L255-L312 HydrophobicContact CB-CD1 4.33Å; L255-L312 HydrophobicContact CD2-CD1 3.89Å; L255-L312 HydrophobicContact CG-CD1 4.49Å; V284-L312 HydrophobicContact CB-CD2 4.38Å; V284-L312 HydrophobicContact CG1-CD2 4.07Å; V284-L312 HydrophobicContact CG2-CD2 4.02Å; V287-L312 HydrophobicContact CB-CD2 4.48Å; V287-L312 HydrophobicContact CG1-CD1 3.96Å; V287-L312 HydrophobicContact CG1-CD2 4.27Å; V287-L312 HydrophobicContact CG1-CG 3.99Å; W308-L312 WeakPolarHBondContact O-CB 3.33Å; W308-L312 WeakPolarHBondContact O-CG 3.46Å; W308-L312 PolarHBondContact O-N 3.14Å; E310-L312 PolarHBondContact O-N 2.97Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 3.28Å; L312-M315 CarbonylContact O-C 3.6Å; L312-M315 PolarHBondContact O-N 3.02Å; L312-S316 PolarHBondContact O-N 3.08Å; L312-S316 PolarHBondContact O-OG 3.35Å
313G83.3Confident73.3Confident45 Ų4569.5 Ų69.546%0.46442%0.419SS..Hα-helixtrans-58.8-42.4174.300000112.4M309 E310 M315 S316M309-G313 PolarHBondContact O-N 3.48Å; E310-G313 PolarHBondContact O-N 2.89Å; G313-M315 PolarHBondContact O-N 2.81Å; G313-M315 VanDerWaalsContact O-N 3.13Å; G313-S316 PolarHBondContact O-N 3.09Å
314S84.6Confident70.6Confident81 Ų8164.8 Ų64.857%0.56639%0.392SS*.THydrogen-bonded Turntrans-64.4-15175.879.30000114.4E310 T311 L312E310-S314 PolarHBondContact O-N 3.31Å; T311-S314 PolarHBondContact O-N 2.84Å; T311-S314 PolarHBondContact O-OG 3.33Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 3.28Å
315M82.4Confident68.1Low51 Ų5163.8 Ų63.825%0.25139%0.385SS..THydrogen-bonded Turntrans-1074.1-179.7-63.3-65.2122.200113.2F165 Y280 Q283 T311 L312 G313F165-M315 HydrophobicContact CE1-CB 4.13Å; F165-M315 HydrophobicContact CZ-CB 3.98Å; Y280-M315 HydrophobicContact CD2-CB 4.01Å; Y280-M315 HydrophobicContact CD2-CG 4.26Å; Y280-M315 HydrophobicContact CD2-SD 3.94Å; Y280-M315 HydrophobicContact CE2-CB 4.09Å; Q283-M315 VanDerWaalsContact OE1-CE 3.29Å; T311-M315 WeakPolarHBondContact O-CG 3.17Å; L312-M315 CarbonylContact O-C 3.6Å; L312-M315 PolarHBondContact O-N 3.02Å; G313-M315 PolarHBondContact O-N 2.81Å; G313-M315 VanDerWaalsContact O-N 3.13Å
316S76.1Confident65.6Low39 Ų3959 Ų5927%0.27336%0.363SS..SBendtrans-90.3149-176.4-78.30000113.7S251 L312 G313S251-S316 WeakPolarHBondContact CB-OG 3.46Å; S251-S316 WeakPolarHBondContact OG-CA 3.42Å; L312-S316 PolarHBondContact O-N 3.08Å; L312-S316 PolarHBondContact O-OG 3.35Å; G313-S316 PolarHBondContact O-N 3.09Å
317E67.5Low62.8Low56 Ų5654.3 Ų54.326%0.26233%0.33SS..SBendtrans-80.7118.7157.9-72.7166.4-153.100107.8S167 K233 P249 T250 S251 R276S167-E317 WeakPolarHBondContact CB-OE1 3.37Å; S167-E317 VanDerWaalsContact OG-CD 3.23Å; S167-E317 PolarHBondContact OG-OE1 3.14Å; K233-E317 IonicContact NZ-OE2 2.72Å; K233-E317 PolarHBondContact NZ-OE2 3.3Å; P249-E317 CarbonylContact C-O 3.57Å; P249-E317 CarbonylContact O-C 3.38Å; P249-E317 VanDerWaalsContact O-O 3.04Å; T250-E317 CarbonylContact C-O 3.48Å; T250-E317 WeakPolarHBondContact CA-O 3.47Å; S251-E317 PolarHBondContact N-O 3.14Å; S251-E317 PolarHBondContact OG-N 3.1Å; R276-E317 IonicContact CZ-OE1 3.85Å; R276-E317 IonicContact NH2-OE1 2.72Å; R276-E317 PolarHBondContact NH2-OE1 2.84Å
318G54.6Low60.8Low44 Ų4454 Ų5445%0.45432%0.321SS..SBendtrans49.5-153.1178.200000116.2P249P249-G318 WeakPolarHBondContact O-CA 3.22Å; P249-G318 PolarHBondContact O-N 2.8Å
319T47Very low58.9Low144 Ų14454.4 Ų54.488%0.88332%0.324SS*.SBendtrans-142.39.4-150.5520000117.4
320Q39Very low57.9Low105 Ų10552.5 Ų52.549%0.49131%0.313SS..  trans-137.2170.1-175-137.5-167.946.200115T250T250-Q320 WeakPolarHBondContact CG2-O 3.45Å; T250-Q320 PolarHBondContact OG1-O 2.74Å; T250-Q320 VanDerWaalsContact OG1-O 3.14Å
321T29.7Very low57.4Low100 Ų10046.3 Ų46.361%0.61328%0.284SS*.  trans-148.8140.5-176.755.70000113.7
322T36.3Very low57.1Low56 Ų5645.5 Ų45.534%0.34428%0.276SS..  trans-169.5169.8-174.8148.60000116.7R499T322-R499 PolarHBondContact O-NE 3.02Å; T322-R499 PolarHBondContact O-NH2 3.07Å; T322-R499 WeakPolarHBondContact OG1-CD 3.48Å; T322-R499 PolarHBondContact OG1-NE 3.15Å; T322-R499 VanDerWaalsContact OG1-NE 3.11Å
323L33.4Very low57Low89 Ų8947.9 Ų47.947%0.46629%0.291SS..  trans-148.3162.6-161.3-62172.3000121.2A498L323-A498 CarbonylContact C-O 3.54Å; L323-A498 VanDerWaalsContact C-O 3.23Å
324G34.5Very low57Low10 Ų1047.8 Ų47.810%0.10328%0.278CS..BIsolated β-bridgetrans69.5142.8161.600000124.4A498 R499 C500 K510G324-A498 WeakPolarHBondContact CA-O 3.37Å; G324-A498 PolarHBondContact N-O 3.16Å; G324-R499 VanDerWaalsContact C-CA 3.47Å; G324-R499 VanDerWaalsContact C-N 3.26Å; G324-R499 CarbonylContact O-C 3.6Å; G324-R499 WeakPolarHBondContact O-CA 3.46Å; G324-R499 PolarHBondContact O-N 2.69Å; G324-C500 PolarHBondContact O-N 3.44Å; G324-K510 WeakPolarHBondContact O-CB 3.36Å; G324-K510 VanDerWaalsContact O-CD 3.27Å; G324-K510 WeakPolarHBondContact O-CD 3.47Å
325A36Very low57.1Low1 Ų149.6 Ų49.61%0.00828%0.278CS..  cis148.1140.3-8.600000110.8C359 A498 K510 I540A325-C359 PolarHBondContact O-SG 3.32Å; A325-A498 HydrophobicContact CB-CB 4.17Å; A325-K510 HydrophobicContact CB-CD 4.37Å; A325-K510 WeakPolarHBondContact O-CD 3.15Å; A325-K510 WeakPolarHBondContact O-CE 3.46Å; A325-K510 PolarHBondContact O-NZ 3.42Å; A325-I540 VanDerWaalsContact C-CG2 3.47Å; A325-I540 VanDerWaalsContact N-CG2 3.29Å
326Y41.3Very low57.2Low1 Ų150 Ų500%0.00428%0.283CS..  cis-143.7-158.3-6.6-66.8-49000115.8V358 L391 Q393 S497 A498 I540Y326-V358 CarbonylContact C-O 3.49Å; Y326-V358 VanDerWaalsContact CA-O 3.22Å; Y326-V358 WeakPolarHBondContact CA-O 3.25Å; Y326-V358 WeakPolarHBondContact CB-O 3.38Å; Y326-V358 CarbonylContact O-C 3.56Å; Y326-V358 WeakPolarHBondContact O-CG1 3.45Å; Y326-L391 HydrophobicContact CD1-CB 3.63Å; Y326-L391 HydrophobicContact CD1-CD2 3.86Å; Y326-L391 HydrophobicContact CD1-CG 3.98Å; Y326-L391 VanDerWaalsContact CD2-C 3.48Å; Y326-L391 HydrophobicContact CD2-CB 3.85Å; Y326-L391 HydrophobicContact CD2-CG 4.19Å; Y326-L391 WeakPolarHBondContact CD2-O 3.27Å; Y326-L391 HydrophobicContact CE1-CB 3.8Å; Y326-L391 HydrophobicContact CE1-CD2 3.26Å; Y326-L391 HydrophobicContact CE1-CG 3.58Å; Y326-L391 HydrophobicContact CE2-CB 3.95Å; Y326-L391 HydrophobicContact CE2-CD2 4.34Å; Y326-L391 HydrophobicContact CE2-CG 3.75Å; Y326-L391 HydrophobicContact CG-CB 3.68Å; Y326-L391 HydrophobicContact CG-CG 4.29Å; Y326-L391 VanDerWaalsContact CZ-CD2 3.49Å; Y326-Q393 HydrophobicContact CE2-CB 4.24Å; Y326-Q393 HydrophobicContact CE2-CG 3.65Å; Y326-Q393 WeakPolarHBondContact OH-CG 3.46Å; Y326-Q393 PolarHBondContact OH-NE2 2.95Å; Y326-Q393 PolarHBondContact OH-OE1 3.21Å; Y326-S497 WeakPolarHBondContact CD1-O 3.26Å; Y326-S497 VanDerWaalsContact CE1-O 3.31Å; Y326-S497 WeakPolarHBondContact CE1-O 3.24Å; Y326-A498 HydrophobicContact CE1-CB 3.88Å; Y326-A498 WeakPolarHBondContact OH-CB 3.45Å; Y326-I540 VanDerWaalsContact C-CG1 3.46Å; Y326-I540 HydrophobicContact CD1-CD1 4.1Å; Y326-I540 HydrophobicContact CD1-CG1 4.12Å; Y326-I540 WeakPolarHBondContact O-CG1 3.32Å
327H34.7Very low57.7Low7 Ų749 Ų493%0.03227%0.274CS..  trans-134.4127.5-154.7174.3-101.5000124.9L329 A357 V358 Y496 N538 I540 Q541H327-L329 VanDerWaalsContact CE1-CD2 3.47Å; H327-L329 WeakPolarHBondContact CE1-CD2 3.5Å; H327-L329 WeakPolarHBondContact NE2-CA 3.28Å; H327-L329 WeakPolarHBondContact NE2-CD2 3.36Å; H327-L329 WeakPolarHBondContact NE2-CG 3.35Å; H327-L329 PolarHBondContact NE2-N 2.92Å; H327-A357 CarbonylContact C-O 3.57Å; H327-A357 PolarHBondContact N-O 2.86Å; H327-A357 CarbonylContact O-C 3.52Å; H327-A357 WeakPolarHBondContact O-CB 3.31Å; H327-V358 VanDerWaalsContact C-N 3.3Å; H327-V358 VanDerWaalsContact CA-CA 3.46Å; H327-V358 VanDerWaalsContact N-C 3.33Å; H327-V358 VanDerWaalsContact N-CA 3.32Å; H327-V358 PolarHBondContact N-O 2.75Å; H327-V358 PolarHBondContact O-N 3.14Å; H327-Y496 HydrophobicContact CB-CD1 3.53Å; H327-Y496 HydrophobicContact CB-CE1 3.54Å; H327-Y496 AromaticContact CG-CE1 3.71Å; H327-Y496 AromaticContact ND1-CE1 3.54Å; H327-N538 PolarHBondContact CD2-ND2 3.13Å; H327-N538 PolarHBondContact NE2-ND2 2.81Å; H327-I540 HydrophobicContact CB-CD1 4.16Å; H327-Q541 HydrophobicContact CB-CG 3.61Å; H327-Q541 WeakPolarHBondContact CD2-CG 3.03Å; H327-Q541 PolarHBondContact CD2-OE1 3.18Å; H327-Q541 PolarHBondContact ND1-NE2 3.33Å; H327-Q541 PolarHBondContact NE2-OE1 3.33Å; H327-Q541 VanDerWaalsContact NE2-OE1 3.16Å
328L50Low58.7Low46 Ų4649.4 Ų49.424%0.24128%0.276CS..  trans-140.6150.7151.8-168.2143.3000107.4W330 G355 A357 V358 R362 N538L328-W330 PolarHBondContact O-N 3.38Å; L328-W330 VanDerWaalsContact O-N 3.13Å; L328-G355 WeakPolarHBondContact CD1-O 3.37Å; L328-A357 HydrophobicContact CB-CB 3.91Å; L328-A357 HydrophobicContact CD1-CB 3.99Å; L328-A357 HydrophobicContact CG-CB 4.37Å; L328-V358 VanDerWaalsContact CA-CG2 3.47Å; L328-V358 HydrophobicContact CB-CB 4.42Å; L328-V358 HydrophobicContact CB-CG2 3.27Å; L328-V358 WeakPolarHBondContact O-CG2 3.39Å; L328-R362 PolarHBondContact O-NH1 3.06Å; L328-N538 PolarHBondContact O-ND2 3.04Å
329L53.1Low60.4Low21 Ų2152.9 Ų52.911%0.1128%0.281CS..SBendtrans-64.1-30.8-150.4-68.2161000115.5H327 P493 N538 M543 S567H327-L329 VanDerWaalsContact CE1-CD2 3.47Å; H327-L329 WeakPolarHBondContact CE1-CD2 3.5Å; H327-L329 WeakPolarHBondContact NE2-CA 3.28Å; H327-L329 WeakPolarHBondContact NE2-CD2 3.36Å; H327-L329 WeakPolarHBondContact NE2-CG 3.35Å; H327-L329 PolarHBondContact NE2-N 2.92Å; L329-P493 HydrophobicContact CD2-CB 4.34Å; L329-N538 VanDerWaalsContact C-ND2 3.28Å; L329-N538 WeakPolarHBondContact CA-ND2 3.48Å; L329-N538 PolarHBondContact O-ND2 2.83Å; L329-N538 PolarHBondContact O-OD1 3.36Å; L329-N538 VanDerWaalsContact O-OD1 3.1Å; L329-M543 HydrophobicContact CB-CE 4.42Å; L329-M543 HydrophobicContact CD2-CE 3.4Å; L329-M543 HydrophobicContact CD2-CG 4.12Å; L329-M543 HydrophobicContact CD2-SD 3.59Å; L329-M543 VanDerWaalsContact CD2-SD 3.59Å; L329-M543 HydrophobicContact CG-CE 4.46Å; L329-S567 WeakPolarHBondContact CD1-OG 3.32Å
330W69.1Low62.4Low15 Ų1547 Ų476%0.05724%0.243CC..  trans-142.6162.6172.5-55.4119.1000113.5L328 W332 R362 P521 N522 V536 N538 M543L328-W330 PolarHBondContact O-N 3.38Å; L328-W330 VanDerWaalsContact O-N 3.13Å; W330-W332 HydrophobicContact CB-CZ2 4.28Å; W330-W332 AromaticContact CD1-CZ2 3.95Å; W330-W332 HydrophobicContact CG-CZ2 4.46Å; W330-R362 PolarHBondContact O-NH1 3.41Å; W330-P521 VanDerWaalsContact CB-O 3.24Å; W330-P521 WeakPolarHBondContact CB-O 3.41Å; W330-N522 VanDerWaalsContact CE3-C 3.41Å; W330-N522 VanDerWaalsContact CH2-C 3.48Å; W330-N522 WeakPolarHBondContact CH2-O 3.45Å; W330-N522 PolarHBondContact NE1-OD1 3.17Å; W330-V536 HydrophobicContact CH2-CB 4.34Å; W330-V536 HydrophobicContact CH2-CG1 3.64Å; W330-V536 HydrophobicContact CZ3-CG1 4.12Å; W330-N538 HydrophobicContact CE3-CB 4.26Å; W330-N538 HydrophobicContact CH2-CB 4.39Å; W330-N538 HydrophobicContact CZ3-CB 3.68Å; W330-M543 HydrophobicContact CH2-CE 3.3Å; W330-M543 HydrophobicContact CH2-SD 3.78Å; W330-M543 HydrophobicContact CZ2-CE 3.33Å; W330-M543 HydrophobicContact CZ2-SD 4.34Å; W330-M543 HydrophobicContact CZ3-CE 4.2Å; W330-M543 HydrophobicContact CZ3-SD 4.19Å
331Y78.1Confident64.9Low19 Ų1943 Ų438%0.07522%0.223CC..  trans-108.7107172.8-162.2-157.6000110.1R362 R363 A364 T515 I518Y331-R362 HydrophobicContact CD1-CG 3.84Å; Y331-R362 HydrophobicContact CD2-CB 3.99Å; Y331-R362 VanDerWaalsContact CD2-CD 3.41Å; Y331-R362 HydrophobicContact CD2-CG 3.66Å; Y331-R362 HydrophobicContact CE1-CG 3.96Å; Y331-R362 HydrophobicContact CE2-CB 3.61Å; Y331-R362 HydrophobicContact CE2-CG 3.67Å; Y331-R362 VanDerWaalsContact CG-CD 3.46Å; Y331-R362 HydrophobicContact CG-CG 3.75Å; Y331-R363 PolarHBondContact OH-N 3.34Å; Y331-A364 HydrophobicContact CE2-CB 3.81Å; Y331-A364 PolarHBondContact OH-N 2.79Å; Y331-T515 HydrophobicContact CE1-CG2 4.45Å; Y331-I518 HydrophobicContact CD1-CB 3.44Å; Y331-I518 VanDerWaalsContact CD1-CB 3.44Å; Y331-I518 HydrophobicContact CD1-CD1 4.3Å; Y331-I518 HydrophobicContact CD1-CG1 3.9Å; Y331-I518 HydrophobicContact CE1-CB 3.74Å; Y331-I518 HydrophobicContact CE1-CD1 4Å; Y331-I518 HydrophobicContact CE1-CG1 4.1Å; Y331-I518 HydrophobicContact CG-CB 4.22Å; Y331-I518 HydrophobicContact CG-CG1 4.3Å
332W81.8Confident67.8Low26 Ų2644.4 Ų44.410%0.09822%0.223CC..  trans-109.5155.3175.1-56.6-23.1000110W330 T336 L337 F340 P521 P568W330-W332 HydrophobicContact CB-CZ2 4.28Å; W330-W332 AromaticContact CD1-CZ2 3.95Å; W330-W332 HydrophobicContact CG-CZ2 4.46Å; W332-T336 HydrophobicContact CB-CG2 4.21Å; W332-L337 HydrophobicContact CB-CD2 4.35Å; W332-L337 HydrophobicContact CB-CG 4.13Å; W332-L337 HydrophobicContact CE3-CD2 3.81Å; W332-F340 HydrophobicContact CH2-CD2 4.5Å; W332-F340 HydrophobicContact CZ3-CB 4.38Å; W332-F340 HydrophobicContact CZ3-CD1 4.26Å; W332-F340 HydrophobicContact CZ3-CD2 4.01Å; W332-F340 HydrophobicContact CZ3-CE2 4.42Å; W332-F340 AromaticContact CZ3-CG 3.94Å; W332-F340 HydrophobicContact CZ3-CG 3.94Å; W332-P521 PolarHBondContact NE1-O 3.22Å; W332-P568 HydrophobicContact CH2-CB 4.19Å; W332-P568 HydrophobicContact CH2-CG 4.35Å
333P83.6Confident70.3Confident49 Ų4945.5 Ų45.532%0.31822%0.224SC..  trans-54.8157.6167.9-24.234.5000112.3E335 T336 L337 I518P333-E335 VanDerWaalsContact C-N 3.27Å; P333-E335 WeakPolarHBondContact CB-OE2 3.44Å; P333-E335 PolarHBondContact O-N 3.43Å; P333-T336 PolarHBondContact O-N 2.91Å; P333-L337 WeakPolarHBondContact O-CG 3.39Å; P333-L337 PolarHBondContact O-N 3.15Å; P333-I518 HydrophobicContact CG-CD1 4.43Å
334K84.6Confident73Confident43 Ų4341.5 Ų41.519%0.18720%0.204CC..Hα-helixtrans-61.7-41.3-179.6176.9178.5166.91780110.7T336 L337 E338 D369K334-T336 PolarHBondContact O-N 3.05Å; K334-L337 WeakPolarHBondContact O-CB 3.16Å; K334-L337 PolarHBondContact O-N 2.92Å; K334-L337 VanDerWaalsContact O-N 3.16Å; K334-E338 VanDerWaalsContact CE-CD 3.46Å; K334-E338 WeakPolarHBondContact CE-OE1 3.13Å; K334-E338 HydrophobicContact CG-CG 4.44Å; K334-E338 IonicContact NZ-OE1 2.7Å; K334-E338 PolarHBondContact NZ-OE1 3.47Å; K334-E338 WeakPolarHBondContact O-CG 3.37Å; K334-E338 PolarHBondContact O-N 2.91Å; K334-D369 HydrophobicContact CD-CB 4.43Å; K334-D369 IonicContact NZ-OD1 2.69Å; K334-D369 PolarHBondContact NZ-OD1 2.75Å
335E85.8Confident75.6Confident120 Ų12042.3 Ų42.356%0.56121%0.21SC*.Hα-helixtrans-61.3-45.9-179.7-5776.6-172.300110.6P333 L337 E338 E339P333-E335 VanDerWaalsContact C-N 3.27Å; P333-E335 WeakPolarHBondContact CB-OE2 3.44Å; P333-E335 PolarHBondContact O-N 3.43Å; E335-L337 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 2.88Å; E335-E338 PolarHBondContact O-N 3.24Å; E335-E339 WeakPolarHBondContact O-CG 3.33Å; E335-E339 PolarHBondContact O-N 2.85Å
336T85.5Confident78.3Confident58 Ų5848.1 Ų48.136%0.35625%0.245SC..Hα-helixtrans-65-33.8175.6-50.90000112.4W332 P333 K334 F340W332-T336 HydrophobicContact CB-CG2 4.21Å; P333-T336 PolarHBondContact O-N 2.91Å; K334-T336 PolarHBondContact O-N 3.05Å; T336-F340 VanDerWaalsContact O-CB 3.27Å; T336-F340 WeakPolarHBondContact O-CB 3.31Å; T336-F340 PolarHBondContact O-N 3.21Å
337L86.2Confident80.7Confident18 Ų1849 Ų499%0.09425%0.252CS..Hα-helixtrans-68.1-44.6172.2-71.4163.6000111.1W332 P333 K334 E335 F340 Y341 T365 W370W332-L337 HydrophobicContact CB-CD2 4.35Å; W332-L337 HydrophobicContact CB-CG 4.13Å; W332-L337 HydrophobicContact CE3-CD2 3.81Å; P333-L337 WeakPolarHBondContact O-CG 3.39Å; P333-L337 PolarHBondContact O-N 3.15Å; K334-L337 WeakPolarHBondContact O-CB 3.16Å; K334-L337 PolarHBondContact O-N 2.92Å; K334-L337 VanDerWaalsContact O-N 3.16Å; E335-L337 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 2.88Å; L337-F340 PolarHBondContact O-N 3.14Å; L337-Y341 HydrophobicContact CB-CD2 4.46Å; L337-Y341 HydrophobicContact CD2-CE2 4.19Å; L337-Y341 WeakPolarHBondContact O-CB 3.34Å; L337-Y341 WeakPolarHBondContact O-CD2 3.27Å; L337-Y341 PolarHBondContact O-N 3.34Å; L337-T365 WeakPolarHBondContact CD1-OG1 3.23Å; L337-W370 HydrophobicContact CD1-CH2 3.95Å; L337-W370 HydrophobicContact CD1-CZ2 4.15Å; L337-W370 HydrophobicContact CD2-CH2 4.14Å
338E89.3Confident83.3Confident66 Ų6650.4 Ų50.431%0.30826%0.263SS..Hα-helixtrans-62-42.8177.1-73.5176154.800111.8K334 E335 Y341 Q342 M373K334-E338 VanDerWaalsContact CE-CD 3.46Å; K334-E338 WeakPolarHBondContact CE-OE1 3.13Å; K334-E338 HydrophobicContact CG-CG 4.44Å; K334-E338 IonicContact NZ-OE1 2.7Å; K334-E338 PolarHBondContact NZ-OE1 3.47Å; K334-E338 WeakPolarHBondContact O-CG 3.37Å; K334-E338 PolarHBondContact O-N 2.91Å; E335-E338 PolarHBondContact O-N 3.24Å; E338-Y341 PolarHBondContact O-N 3.14Å; E338-Q342 WeakPolarHBondContact O-CB 3.3Å; E338-Q342 WeakPolarHBondContact O-CG 3.24Å; E338-Q342 PolarHBondContact O-N 3.23Å; E338-Q342 PolarHBondContact O-NE2 3.16Å; E338-M373 HydrophobicContact CG-CG 4.18Å; E338-M373 HydrophobicContact CG-SD 3.63Å
339E89.1Confident85.3Confident117 Ų11748.9 Ų48.955%0.54726%0.257SS..Hα-helixtrans-63.6-40.3173.3-72.9176.1170.300112.9E335 Q343E335-E339 WeakPolarHBondContact O-CG 3.33Å; E335-E339 PolarHBondContact O-N 2.85Å; E339-Q343 WeakPolarHBondContact O-CG 3Å; E339-Q343 PolarHBondContact O-N 3.12Å; E339-Q343 PolarHBondContact O-NE2 2.96Å
340F89.6Confident87.1Confident20 Ų2052.9 Ų52.99%0.08828%0.278CS..Hα-helixtrans-66.2-44.5176175.6-94.1000111.5W332 T336 L337 Q343 A344 P568 F574W332-F340 HydrophobicContact CH2-CD2 4.5Å; W332-F340 HydrophobicContact CZ3-CB 4.38Å; W332-F340 HydrophobicContact CZ3-CD1 4.26Å; W332-F340 HydrophobicContact CZ3-CD2 4.01Å; W332-F340 HydrophobicContact CZ3-CE2 4.42Å; W332-F340 AromaticContact CZ3-CG 3.94Å; W332-F340 HydrophobicContact CZ3-CG 3.94Å; T336-F340 VanDerWaalsContact O-CB 3.27Å; T336-F340 WeakPolarHBondContact O-CB 3.31Å; T336-F340 PolarHBondContact O-N 3.21Å; L337-F340 PolarHBondContact O-N 3.14Å; F340-Q343 PolarHBondContact O-N 3.23Å; F340-A344 WeakPolarHBondContact O-CB 3.08Å; F340-A344 PolarHBondContact O-N 2.84Å; F340-P568 HydrophobicContact CE1-CB 4.44Å; F340-P568 HydrophobicContact CE1-CG 4.22Å; F340-P568 HydrophobicContact CE2-CB 3.83Å; F340-P568 HydrophobicContact CE2-CG 4.45Å; F340-P568 HydrophobicContact CZ-CB 3.52Å; F340-P568 HydrophobicContact CZ-CG 3.75Å; F340-F574 AromaticContact CD2-CE2 3.94Å; F340-F574 HydrophobicContact CD2-CE2 3.94Å; F340-F574 AromaticContact CD2-CZ 3.79Å; F340-F574 HydrophobicContact CD2-CZ 3.79Å; F340-F574 HydrophobicContact CE1-CZ 4.36Å; F340-F574 HydrophobicContact CE2-CE1 4.17Å; F340-F574 AromaticContact CE2-CE2 3.78Å; F340-F574 HydrophobicContact CE2-CE2 3.78Å; F340-F574 AromaticContact CE2-CZ 3.4Å; F340-F574 HydrophobicContact CE2-CZ 3.4Å; F340-F574 HydrophobicContact CG-CZ 4.41Å; F340-F574 HydrophobicContact CZ-CE1 4.15Å; F340-F574 AromaticContact CZ-CZ 3.71Å; F340-F574 HydrophobicContact CZ-CZ 3.71Å
341Y91.1Very high88.3Confident20 Ų2053.5 Ų53.58%0.07828%0.284CS..Hα-helixtrans-71.8-32.1179.9-78.8-63.2000112.7L337 E338 Q343 A344 A345 I352 Y353 L354 W370 M373 L377L337-Y341 HydrophobicContact CB-CD2 4.46Å; L337-Y341 HydrophobicContact CD2-CE2 4.19Å; L337-Y341 WeakPolarHBondContact O-CB 3.34Å; L337-Y341 WeakPolarHBondContact O-CD2 3.27Å; L337-Y341 PolarHBondContact O-N 3.34Å; E338-Y341 PolarHBondContact O-N 3.14Å; Y341-Q343 VanDerWaalsContact C-N 3.35Å; Y341-Q343 PolarHBondContact O-N 3.3Å; Y341-A344 HydrophobicContact CD1-CB 4.35Å; Y341-A344 PolarHBondContact O-N 3.18Å; Y341-A345 PolarHBondContact O-N 3.1Å; Y341-I352 HydrophobicContact CD1-CG2 3.72Å; Y341-I352 HydrophobicContact CE1-CG2 3.52Å; Y341-Y353 PolarHBondContact OH-O 3.16Å; Y341-L354 HydrophobicContact CD1-CB 4.49Å; Y341-L354 HydrophobicContact CE1-CB 3.67Å; Y341-L354 HydrophobicContact CE2-CB 4.1Å; Y341-L354 VanDerWaalsContact CZ-CB 3.44Å; Y341-L354 WeakPolarHBondContact OH-CA 3.25Å; Y341-L354 VanDerWaalsContact OH-CB 3.32Å; Y341-L354 WeakPolarHBondContact OH-CB 3.13Å; Y341-W370 HydrophobicContact CE2-CH2 4.29Å; Y341-W370 AromaticContact CE2-CZ3 3.69Å; Y341-W370 HydrophobicContact CE2-CZ3 3.69Å; Y341-M373 HydrophobicContact CD2-SD 4.06Å; Y341-L377 HydrophobicContact CD1-CD1 3.87Å; Y341-L377 HydrophobicContact CG-CD1 4.3Å; Y341-L377 WeakPolarHBondContact O-CD2 3.34Å
342Q90.6Very high89.1Confident130 Ų13053 Ų5361%0.60728%0.282SS*.Hα-helixtrans-60.3-42.7169.1-76.3170.947.900112E338 A345E338-Q342 WeakPolarHBondContact O-CB 3.3Å; E338-Q342 WeakPolarHBondContact O-CG 3.24Å; E338-Q342 PolarHBondContact O-N 3.23Å; E338-Q342 PolarHBondContact O-NE2 3.16Å; Q342-A345 WeakPolarHBondContact O-CB 3.21Å; Q342-A345 PolarHBondContact O-N 2.82Å
343Q89.8Confident89.7Confident79 Ų7953.2 Ų53.237%0.36928%0.283SS..Hα-helixtrans-65.7-44.2172.7-72.3168.878.600111.6E339 F340 Y341 A345 T346 S347 F574E339-Q343 WeakPolarHBondContact O-CG 3Å; E339-Q343 PolarHBondContact O-N 3.12Å; E339-Q343 PolarHBondContact O-NE2 2.96Å; F340-Q343 PolarHBondContact O-N 3.23Å; Y341-Q343 VanDerWaalsContact C-N 3.35Å; Y341-Q343 PolarHBondContact O-N 3.3Å; Q343-A345 VanDerWaalsContact C-N 3.26Å; Q343-A345 PolarHBondContact O-N 3.13Å; Q343-T346 CarbonylContact O-C 3.56Å; Q343-T346 WeakPolarHBondContact O-CA 3.37Å; Q343-T346 PolarHBondContact O-N 3.3Å; Q343-T346 PolarHBondContact O-OG1 3.08Å; Q343-S347 PolarHBondContact O-N 3.09Å; Q343-F574 HydrophobicContact CB-CD2 4.16Å; Q343-F574 HydrophobicContact CB-CE2 3.48Å; Q343-F574 VanDerWaalsContact CB-CE2 3.48Å; Q343-F574 HydrophobicContact CB-CZ 3.95Å
344A88.7Confident90.2Very high5 Ų551 Ų514%0.04127%0.268CS..Hα-helixtrans-57.3-38.1177.100000112.4F340 Y341 T346 S347 I352 K382 F574F340-A344 WeakPolarHBondContact O-CB 3.08Å; F340-A344 PolarHBondContact O-N 2.84Å; Y341-A344 HydrophobicContact CD1-CB 4.35Å; Y341-A344 PolarHBondContact O-N 3.18Å; A344-T346 PolarHBondContact O-N 2.97Å; A344-S347 WeakPolarHBondContact O-CB 3.49Å; A344-S347 PolarHBondContact O-N 2.85Å; A344-S347 VanDerWaalsContact O-N 3.12Å; A344-S347 PolarHBondContact O-OG 2.73Å; A344-I352 HydrophobicContact CB-CD1 3.85Å; A344-I352 HydrophobicContact CB-CG1 4.49Å; A344-K382 VanDerWaalsContact O-CE 3.28Å; A344-K382 WeakPolarHBondContact O-CE 3.38Å; A344-F574 HydrophobicContact CB-CE1 3.82Å; A344-F574 HydrophobicContact CB-CZ 3.87Å
345A89.1Confident90.5Very high28 Ų2848.9 Ų48.923%0.23126%0.259CS..Hα-helixtrans-58.6-27.1174.400000113.6Y341 Q342 Q343 L377 K382Y341-A345 PolarHBondContact O-N 3.1Å; Q342-A345 WeakPolarHBondContact O-CB 3.21Å; Q342-A345 PolarHBondContact O-N 2.82Å; Q343-A345 VanDerWaalsContact C-N 3.26Å; Q343-A345 PolarHBondContact O-N 3.13Å; A345-L377 HydrophobicContact CB-CD2 3.68Å; A345-K382 WeakPolarHBondContact O-CE 3.26Å
346T92.6Very high90.7Very high122 Ų12244.2 Ų44.275%0.74824%0.237SC*.Hα-helixtrans-99.9-9177.260.10000114.4Q343 A344Q343-T346 CarbonylContact O-C 3.56Å; Q343-T346 WeakPolarHBondContact O-CA 3.37Å; Q343-T346 PolarHBondContact O-N 3.3Å; Q343-T346 PolarHBondContact O-OG1 3.08Å; A344-T346 PolarHBondContact O-N 2.97Å
347S91.8Very high90.8Very high20 Ų2041.9 Ų41.914%0.1422%0.224CC..SBendtrans-70.9171.6-178.175.20000113.8Q343 A344 A349 K382Q343-S347 PolarHBondContact O-N 3.09Å; A344-S347 WeakPolarHBondContact O-CB 3.49Å; A344-S347 PolarHBondContact O-N 2.85Å; A344-S347 VanDerWaalsContact O-N 3.12Å; A344-S347 PolarHBondContact O-OG 2.73Å; S347-A349 PolarHBondContact O-N 3.33Å; S347-A349 WeakPolarHBondContact OG-CB 3.38Å; S347-A349 PolarHBondContact OG-N 3.32Å; S347-K382 PolarHBondContact O-NZ 2.8Å
348S90.6Very high90.8Very high37 Ų3741 Ų4126%0.25922%0.219SC..SBendtrans-75.111.1174.5580000115.1L577 D578 R581S348-L577 WeakPolarHBondContact OG-CD2 3.39Å; S348-L577 WeakPolarHBondContact OG-CG 3.32Å; S348-D578 VanDerWaalsContact CB-OD1 3.22Å; S348-D578 WeakPolarHBondContact CB-OD1 3.15Å; S348-D578 PolarHBondContact OG-OD1 2.89Å; S348-R581 PolarHBondContact O-NE 2.92Å; S348-R581 PolarHBondContact O-NH2 2.87Å
349A91Very high90.8Very high14 Ų1438.6 Ų38.612%0.11621%0.209CC..  trans-78137.1-179.800000112.6S347 K382 L577S347-A349 PolarHBondContact O-N 3.33Å; S347-A349 WeakPolarHBondContact OG-CB 3.38Å; S347-A349 PolarHBondContact OG-N 3.32Å; A349-K382 VanDerWaalsContact O-CD 3.31Å; A349-K382 WeakPolarHBondContact O-CD 3.24Å; A349-K382 WeakPolarHBondContact O-CG 3.34Å; A349-K382 PolarHBondContact O-NZ 3.03Å; A349-L577 HydrophobicContact CB-CD2 3.79Å
350D91.4Very high90.7Very high104 Ų10433.8 Ų33.856%0.55619%0.189SC*.SBendtrans-83.9-29.8172.3-56.9-35.4000112.3K382 Q383 R581D350-K382 CarbonylContact O-C 3.47Å; D350-K382 WeakPolarHBondContact O-CA 3.39Å; D350-Q383 PolarHBondContact O-N 2.77Å; D350-R581 IonicContact OD1-NH2 2.78Å; D350-R581 PolarHBondContact OD1-NH2 2.76Å; D350-R581 IonicContact OD2-CZ 2.85Å; D350-R581 IonicContact OD2-NH1 3.49Å; D350-R581 PolarHBondContact OD2-NH1 2.79Å; D350-R581 IonicContact OD2-NH2 3.2Å; D350-R581 PolarHBondContact OD2-NH2 2.79Å
351V94.2Very high90.6Very high29 Ų2935.3 Ų35.318%0.17620%0.195CC..EExtended strand (participates in β ladder)trans-124.9133.5-175.4-171.40000109.2Y353 Q383 V385V351-Y353 HydrophobicContact CB-CE2 4.42Å; V351-Y353 HydrophobicContact CG1-CD2 4Å; V351-Y353 HydrophobicContact CG1-CE2 3.58Å; V351-Q383 CarbonylContact C-O 3.44Å; V351-Q383 WeakPolarHBondContact CA-O 3.44Å; V351-Q383 HydrophobicContact CG1-CB 4.41Å; V351-Q383 HydrophobicContact CG2-CB 4.31Å; V351-V385 HydrophobicContact CG1-CG2 3.74Å
352I94.1Very high90.5Very high8 Ų834.8 Ų34.84%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-115119.9169.1-58.7179.8000109.5Y341 A344 L377 K382 Q383 I384 V385Y341-I352 HydrophobicContact CD1-CG2 3.72Å; Y341-I352 HydrophobicContact CE1-CG2 3.52Å; A344-I352 HydrophobicContact CB-CD1 3.85Å; A344-I352 HydrophobicContact CB-CG1 4.49Å; I352-L377 HydrophobicContact CD1-CD1 4.26Å; I352-L377 HydrophobicContact CD1-CD2 4.07Å; I352-L377 HydrophobicContact CG2-CD1 3.95Å; I352-K382 HydrophobicContact CD1-CD 3.61Å; I352-K382 HydrophobicContact CG1-CB 4.43Å; I352-K382 HydrophobicContact CG1-CD 3.94Å; I352-Q383 PolarHBondContact N-O 3.46Å; I352-I384 HydrophobicContact CB-CD1 4.02Å; I352-I384 HydrophobicContact CD1-CD1 4.37Å; I352-I384 HydrophobicContact CG1-CD1 4.44Å; I352-V385 PolarHBondContact O-N 3.41Å
353Y95.6Very high90.1Very high31 Ų3135.6 Ų35.612%0.12219%0.191CC..EExtended strand (participates in β ladder)trans-90.4130.8167.4-70.6-88.8000110.4Y341 V351 V385 E413 R454 E485 R565Y341-Y353 PolarHBondContact OH-O 3.16Å; V351-Y353 HydrophobicContact CB-CE2 4.42Å; V351-Y353 HydrophobicContact CG1-CD2 4Å; V351-Y353 HydrophobicContact CG1-CE2 3.58Å; Y353-V385 WeakPolarHBondContact CA-O 3.44Å; Y353-V385 HydrophobicContact CD1-CB 3.65Å; Y353-V385 HydrophobicContact CD1-CG1 3.8Å; Y353-V385 HydrophobicContact CD1-CG2 4.46Å; Y353-V385 HydrophobicContact CE1-CB 3.61Å; Y353-V385 HydrophobicContact CE1-CG1 3.47Å; Y353-V385 VanDerWaalsContact CE1-CG1 3.47Å; Y353-V385 HydrophobicContact CE1-CG2 4.08Å; Y353-V385 HydrophobicContact CG-CB 4.37Å; Y353-E413 HydrophobicContact CD1-CB 4.41Å; Y353-E413 HydrophobicContact CE1-CB 4.14Å; Y353-R454 PolarHBondContact OH-NH1 2.89Å; Y353-R454 VanDerWaalsContact OH-NH1 3.07Å; Y353-E485 WeakPolarHBondContact CE2-OE1 3.37Å; Y353-E485 VanDerWaalsContact CZ-OE1 3.29Å; Y353-E485 PolarHBondContact OH-OE1 3.16Å; Y353-E485 PolarHBondContact OH-OE2 2.79Å; Y353-R565 VanDerWaalsContact CD1-NH2 3.29Å; Y353-R565 HydrophobicContact CD2-CG 4.46Å; Y353-R565 HydrophobicContact CE2-CG 4.4Å
354L93Very high89.7Confident1 Ų133.5 Ų33.51%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-148.2176.8173.983.9171000111Y341 W370 M373 A374 L377 I384 V385 L386 S387Y341-L354 HydrophobicContact CD1-CB 4.49Å; Y341-L354 HydrophobicContact CE1-CB 3.67Å; Y341-L354 HydrophobicContact CE2-CB 4.1Å; Y341-L354 VanDerWaalsContact CZ-CB 3.44Å; Y341-L354 WeakPolarHBondContact OH-CA 3.25Å; Y341-L354 VanDerWaalsContact OH-CB 3.32Å; Y341-L354 WeakPolarHBondContact OH-CB 3.13Å; L354-W370 HydrophobicContact CB-CE3 4.06Å; L354-W370 HydrophobicContact CB-CZ3 3.94Å; L354-W370 HydrophobicContact CD1-CE3 4.19Å; L354-W370 HydrophobicContact CG-CE3 4.15Å; L354-M373 HydrophobicContact CD1-CB 3.87Å; L354-A374 HydrophobicContact CD1-CB 4.22Å; L354-A374 HydrophobicContact CD2-CB 4.23Å; L354-L377 HydrophobicContact CD1-CD1 3.89Å; L354-I384 HydrophobicContact CD2-CG2 3.49Å; L354-I384 VanDerWaalsContact CD2-CG2 3.49Å; L354-V385 PolarHBondContact N-O 3.03Å; L354-L386 HydrophobicContact CD2-CD2 3.89Å; L354-L386 HydrophobicContact CG-CD2 4.16Å; L354-L386 CarbonylContact O-C 3.56Å; L354-L386 VanDerWaalsContact O-CA 3.25Å; L354-L386 WeakPolarHBondContact O-CA 3.2Å; L354-S387 PolarHBondContact O-N 3.42Å
355G91.3Very high89.5Confident0 Ų033.5 Ų33.50%019%0.187CC..SBendtrans114.9-174.9-174.900000110.6L328 W370L328-G355 WeakPolarHBondContact CD1-O 3.37Å; G355-W370 VanDerWaalsContact C-CE2 3.49Å; G355-W370 VanDerWaalsContact CA-CD2 3.43Å; G355-W370 WeakPolarHBondContact O-CH2 3.48Å; G355-W370 WeakPolarHBondContact O-CZ2 3.08Å
356E90.3Very high89.6Confident22 Ų2238.3 Ų38.310%0.10320%0.202CC..  trans-114.9105.3177-17856.2-58.100111.5V358 R362 L389 Y404E356-V358 VanDerWaalsContact CD-CB 3.46Å; E356-V358 VanDerWaalsContact CD-CG2 3.4Å; E356-V358 HydrophobicContact CG-CB 4.43Å; E356-V358 VanDerWaalsContact OE1-CB 3.28Å; E356-V358 WeakPolarHBondContact OE1-CB 3.43Å; E356-V358 WeakPolarHBondContact OE1-CG2 3.31Å; E356-V358 PolarHBondContact OE1-N 2.88Å; E356-V358 WeakPolarHBondContact OE2-CB 3.39Å; E356-V358 VanDerWaalsContact OE2-CG2 3.32Å; E356-V358 WeakPolarHBondContact OE2-CG2 3.31Å; E356-R362 WeakPolarHBondContact OE2-CB 3.23Å; E356-L389 WeakPolarHBondContact O-CD2 3.39Å; E356-Y404 PolarHBondContact N-OH 2.99Å
357A88.5Confident89.5Confident8 Ų832.9 Ų32.97%0.06617%0.169CC..  trans-86.7-10.8169.400000112.7H327 L328 T388 L389 A390H327-A357 CarbonylContact C-O 3.57Å; H327-A357 PolarHBondContact N-O 2.86Å; H327-A357 CarbonylContact O-C 3.52Å; H327-A357 WeakPolarHBondContact O-CB 3.31Å; L328-A357 HydrophobicContact CB-CB 3.91Å; L328-A357 HydrophobicContact CD1-CB 3.99Å; L328-A357 HydrophobicContact CG-CB 4.37Å; A357-T388 VanDerWaalsContact CB-O 3.26Å; A357-T388 WeakPolarHBondContact CB-O 3.48Å; A357-L389 WeakPolarHBondContact O-CA 3.49Å; A357-L389 WeakPolarHBondContact O-CD2 3.2Å; A357-A390 PolarHBondContact O-N 2.89Å
358V86.4Confident89.6Confident1 Ų133.5 Ų33.51%0.00618%0.179CC..SBendtrans-67.9-111.7-171.7-159.20000113.8Y326 H327 L328 E356 R362 L389Y326-V358 CarbonylContact C-O 3.49Å; Y326-V358 VanDerWaalsContact CA-O 3.22Å; Y326-V358 WeakPolarHBondContact CA-O 3.25Å; Y326-V358 WeakPolarHBondContact CB-O 3.38Å; Y326-V358 CarbonylContact O-C 3.56Å; Y326-V358 WeakPolarHBondContact O-CG1 3.45Å; H327-V358 VanDerWaalsContact C-N 3.3Å; H327-V358 VanDerWaalsContact CA-CA 3.46Å; H327-V358 VanDerWaalsContact N-C 3.33Å; H327-V358 VanDerWaalsContact N-CA 3.32Å; H327-V358 PolarHBondContact N-O 2.75Å; H327-V358 PolarHBondContact O-N 3.14Å; L328-V358 VanDerWaalsContact CA-CG2 3.47Å; L328-V358 HydrophobicContact CB-CB 4.42Å; L328-V358 HydrophobicContact CB-CG2 3.27Å; L328-V358 WeakPolarHBondContact O-CG2 3.39Å; E356-V358 VanDerWaalsContact CD-CB 3.46Å; E356-V358 VanDerWaalsContact CD-CG2 3.4Å; E356-V358 HydrophobicContact CG-CB 4.43Å; E356-V358 VanDerWaalsContact OE1-CB 3.28Å; E356-V358 WeakPolarHBondContact OE1-CB 3.43Å; E356-V358 WeakPolarHBondContact OE1-CG2 3.31Å; E356-V358 PolarHBondContact OE1-N 2.88Å; E356-V358 WeakPolarHBondContact OE2-CB 3.39Å; E356-V358 VanDerWaalsContact OE2-CG2 3.32Å; E356-V358 WeakPolarHBondContact OE2-CG2 3.31Å; V358-R362 HydrophobicContact CB-CG 4.47Å; V358-R362 HydrophobicContact CG1-CG 4.33Å; V358-L389 WeakPolarHBondContact O-CD2 3.39Å
359C88.2Confident89.8Confident14 Ų1433.2 Ų33.210%0.09517%0.174CC..  trans-140.8124.7-157.6168.8000098.8A325 K361 R362A325-C359 PolarHBondContact O-SG 3.32Å; C359-K361 PolarHBondContact O-N 3.36Å; C359-R362 PolarHBondContact O-N 2.67Å
360S87.9Confident89.9Confident17 Ų1732.9 Ų32.912%0.11917%0.17CC..THydrogen-bonded Turntrans-501.1173.449.50000115R363 E397S360-R363 VanDerWaalsContact O-CZ 3.26Å; S360-R363 PolarHBondContact O-NE 3.17Å; S360-R363 PolarHBondContact O-NH2 2.66Å; S360-E397 PolarHBondContact OG-OE1 2.99Å
361K87.2Confident90.1Very high51 Ų5129.3 Ų29.322%0.22215%0.151CC..THydrogen-bonded Turntrans-97.7-21.2170.3-55.3-166.867169.50115.9C359 R363 K510 D511 T515C359-K361 PolarHBondContact O-N 3.36Å; K361-R363 VanDerWaalsContact C-N 3.34Å; K361-R363 PolarHBondContact O-N 3.12Å; K361-K510 HydrophobicContact CD-CG 4.1Å; K361-K510 PolarHBondContact NZ-O 2.81Å; K361-D511 PolarHBondContact NZ-O 3.4Å; K361-D511 IonicContact NZ-OD1 2.92Å; K361-T515 WeakPolarHBondContact O-CG2 3.47Å
362R88.3Confident90.2Very high9 Ų934.1 Ų34.13%0.03417%0.171CC..  trans-74.487.1174.4-85.1-170.8-172.7173.28.6109.1L328 W330 Y331 E356 V358 C359 C517 N538L328-R362 PolarHBondContact O-NH1 3.06Å; W330-R362 PolarHBondContact O-NH1 3.41Å; Y331-R362 HydrophobicContact CD1-CG 3.84Å; Y331-R362 HydrophobicContact CD2-CB 3.99Å; Y331-R362 VanDerWaalsContact CD2-CD 3.41Å; Y331-R362 HydrophobicContact CD2-CG 3.66Å; Y331-R362 HydrophobicContact CE1-CG 3.96Å; Y331-R362 HydrophobicContact CE2-CB 3.61Å; Y331-R362 HydrophobicContact CE2-CG 3.67Å; Y331-R362 VanDerWaalsContact CG-CD 3.46Å; Y331-R362 HydrophobicContact CG-CG 3.75Å; E356-R362 WeakPolarHBondContact OE2-CB 3.23Å; V358-R362 HydrophobicContact CB-CG 4.47Å; V358-R362 HydrophobicContact CG1-CG 4.33Å; C359-R362 PolarHBondContact O-N 2.67Å; R362-C517 PolarHBondContact NE-SG 3.23Å; R362-N538 PolarHBondContact NH2-OD1 3.09Å
363R81.5Confident90.2Very high147 Ų14734 Ų3456%0.55517%0.171SC*.  trans-109.712.5-164.9-72.3174179.5-169.8-3.2114.6Y331 S360 K361 T365 K366Y331-R363 PolarHBondContact OH-N 3.34Å; S360-R363 VanDerWaalsContact O-CZ 3.26Å; S360-R363 PolarHBondContact O-NE 3.17Å; S360-R363 PolarHBondContact O-NH2 2.66Å; K361-R363 VanDerWaalsContact C-N 3.34Å; K361-R363 PolarHBondContact O-N 3.12Å; R363-T365 VanDerWaalsContact C-N 3.25Å; R363-T365 PolarHBondContact O-N 3.19Å; R363-K366 WeakPolarHBondContact O-CE 3.41Å
364A81.8Confident90.2Very high35 Ų3532.6 Ų32.629%0.28917%0.165SC..SBendtrans-56.1-44.5168.300000110.8Y331Y331-A364 HydrophobicContact CE2-CB 3.81Å; Y331-A364 PolarHBondContact OH-N 2.79Å
365T85.4Confident90.3Very high6 Ų637.8 Ų37.84%0.03719%0.188CC..SBendtrans-118.5115.4175.8-47.70000108.7L337 R363 D369 W370 M373L337-T365 WeakPolarHBondContact CD1-OG1 3.23Å; R363-T365 VanDerWaalsContact C-N 3.25Å; R363-T365 PolarHBondContact O-N 3.19Å; T365-D369 HydrophobicContact CG2-CB 3.62Å; T365-W370 HydrophobicContact CG2-CD2 3.56Å; T365-W370 HydrophobicContact CG2-CE3 4.18Å; T365-W370 HydrophobicContact CG2-CG 3.83Å; T365-W370 HydrophobicContact CG2-CH2 4.43Å; T365-W370 HydrophobicContact CG2-CZ2 3.83Å; T365-W370 PolarHBondContact O-NE1 3.09Å; T365-W370 VanDerWaalsContact O-NE1 3.14Å; T365-M373 HydrophobicContact CG2-CE 3.47Å; T365-M373 VanDerWaalsContact CG2-CE 3.47Å
366K90.7Very high90.5Very high129 Ų12942.1 Ų42.156%0.56122%0.218SC*.  trans-98171.5-177.6-54.6152.7-167.8153.80109.5R363 G368 D369 W370R363-K366 WeakPolarHBondContact O-CE 3.41Å; K366-G368 PolarHBondContact O-N 3.01Å; K366-D369 WeakPolarHBondContact CA-OD2 3.46Å; K366-D369 VanDerWaalsContact CB-OD2 3.27Å; K366-D369 WeakPolarHBondContact CB-OD2 3.42Å; K366-D369 PolarHBondContact N-OD2 3.24Å; K366-D369 PolarHBondContact O-N 3.08Å; K366-W370 PolarHBondContact O-N 3.13Å
367V90.9Very high90.7Very high7 Ų741.2 Ų41.24%0.04221%0.214CC..Hα-helixtrans-50-32.7176.6-174.20000113.1L371 E400 R403 Y404V367-L371 HydrophobicContact CG1-CD1 4.16Å; V367-L371 WeakPolarHBondContact O-CB 3.4Å; V367-L371 WeakPolarHBondContact O-CG 3.48Å; V367-L371 PolarHBondContact O-N 3.09Å; V367-E400 HydrophobicContact CG2-CB 4.06Å; V367-E400 HydrophobicContact CG2-CG 4.24Å; V367-R403 HydrophobicContact CG1-CB 3.96Å; V367-Y404 HydrophobicContact CB-CE1 4.49Å; V367-Y404 HydrophobicContact CB-CE2 4.45Å; V367-Y404 HydrophobicContact CG1-CD1 4.06Å; V367-Y404 HydrophobicContact CG1-CD2 4.29Å; V367-Y404 HydrophobicContact CG1-CE1 3.9Å; V367-Y404 HydrophobicContact CG1-CE2 4.16Å; V367-Y404 HydrophobicContact CG1-CG 4.26Å; V367-Y404 HydrophobicContact CG2-CD2 4.47Å; V367-Y404 HydrophobicContact CG2-CE2 3.8Å
368G93.4Very high90.8Very high34 Ų3443 Ų4335%0.35123%0.228SC..Hα-helixtrans-66.6-52.3174.600000112.5K366 W370 L371 E372K366-G368 PolarHBondContact O-N 3.01Å; G368-W370 VanDerWaalsContact C-N 3.32Å; G368-W370 PolarHBondContact O-N 3.19Å; G368-L371 PolarHBondContact O-N 3.16Å; G368-E372 PolarHBondContact O-N 3.33Å
369D94Very high91.1Very high31 Ų3146.7 Ų46.717%0.16627%0.266CS..Hα-helixtrans-60.6-39.3179-47.2-94.6000112K334 T365 K366 E372 M373K334-D369 HydrophobicContact CD-CB 4.43Å; K334-D369 IonicContact NZ-OD1 2.69Å; K334-D369 PolarHBondContact NZ-OD1 2.75Å; T365-D369 HydrophobicContact CG2-CB 3.62Å; K366-D369 WeakPolarHBondContact CA-OD2 3.46Å; K366-D369 VanDerWaalsContact CB-OD2 3.27Å; K366-D369 WeakPolarHBondContact CB-OD2 3.42Å; K366-D369 PolarHBondContact N-OD2 3.24Å; K366-D369 PolarHBondContact O-N 3.08Å; D369-E372 PolarHBondContact O-N 3.22Å; D369-M373 PolarHBondContact O-N 2.81Å
370W94.4Very high91.2Very high7 Ų747.6 Ų47.63%0.02727%0.273CS..Hα-helixtrans-64.4-39.7175.3-73117.4000113.2L337 Y341 L354 G355 T365 K366 G368 E372 M373 A374 Y404L337-W370 HydrophobicContact CD1-CH2 3.95Å; L337-W370 HydrophobicContact CD1-CZ2 4.15Å; L337-W370 HydrophobicContact CD2-CH2 4.14Å; Y341-W370 HydrophobicContact CE2-CH2 4.29Å; Y341-W370 AromaticContact CE2-CZ3 3.69Å; Y341-W370 HydrophobicContact CE2-CZ3 3.69Å; L354-W370 HydrophobicContact CB-CE3 4.06Å; L354-W370 HydrophobicContact CB-CZ3 3.94Å; L354-W370 HydrophobicContact CD1-CE3 4.19Å; L354-W370 HydrophobicContact CG-CE3 4.15Å; G355-W370 VanDerWaalsContact C-CE2 3.49Å; G355-W370 VanDerWaalsContact CA-CD2 3.43Å; G355-W370 WeakPolarHBondContact O-CH2 3.48Å; G355-W370 WeakPolarHBondContact O-CZ2 3.08Å; T365-W370 HydrophobicContact CG2-CD2 3.56Å; T365-W370 HydrophobicContact CG2-CE3 4.18Å; T365-W370 HydrophobicContact CG2-CG 3.83Å; T365-W370 HydrophobicContact CG2-CH2 4.43Å; T365-W370 HydrophobicContact CG2-CZ2 3.83Å; T365-W370 PolarHBondContact O-NE1 3.09Å; T365-W370 VanDerWaalsContact O-NE1 3.14Å; K366-W370 PolarHBondContact O-N 3.13Å; G368-W370 VanDerWaalsContact C-N 3.32Å; G368-W370 PolarHBondContact O-N 3.19Å; W370-E372 VanDerWaalsContact C-N 3.35Å; W370-M373 HydrophobicContact CD2-CE 3.95Å; W370-M373 HydrophobicContact CE3-CE 3.36Å; W370-M373 HydrophobicContact CH2-CE 4.34Å; W370-M373 HydrophobicContact CZ3-CE 3.59Å; W370-A374 WeakPolarHBondContact O-CB 3.29Å; W370-A374 PolarHBondContact O-N 2.85Å; W370-Y404 HydrophobicContact CB-CE1 4.03Å
371L95.7Very high91.4Very high28 Ų2850.6 Ų50.615%0.14731%0.306CS..Hα-helixtrans-73-28175.9-69.7174.8000112.5V367 G368 K375 L386 Y404 N407V367-L371 HydrophobicContact CG1-CD1 4.16Å; V367-L371 WeakPolarHBondContact O-CB 3.4Å; V367-L371 WeakPolarHBondContact O-CG 3.48Å; V367-L371 PolarHBondContact O-N 3.09Å; G368-L371 PolarHBondContact O-N 3.16Å; L371-K375 WeakPolarHBondContact O-CD 3.41Å; L371-K375 VanDerWaalsContact O-CG 3.31Å; L371-K375 WeakPolarHBondContact O-CG 3.31Å; L371-K375 PolarHBondContact O-N 3Å; L371-L386 HydrophobicContact CD2-CD1 3.56Å; L371-L386 HydrophobicContact CD2-CD2 4.38Å; L371-Y404 HydrophobicContact CD2-CD1 4.45Å; L371-N407 HydrophobicContact CD2-CB 3.61Å
372E95.6Very high91.5Very high131 Ų13149.9 Ų49.961%0.61230%0.303SS*.Hα-helixtrans-72.3-44.2173.4-172.4165-153.900111.4G368 D369 W370 A374 K375 S376G368-E372 PolarHBondContact O-N 3.33Å; D369-E372 PolarHBondContact O-N 3.22Å; W370-E372 VanDerWaalsContact C-N 3.35Å; E372-A374 PolarHBondContact O-N 2.94Å; E372-K375 PolarHBondContact O-N 3.07Å; E372-S376 PolarHBondContact O-N 3.17Å
373M94.3Very high91.7Very high6 Ų652.3 Ų52.33%0.0332%0.315CS..Hα-helixtrans-62.3-39.1170.9-73.7-169-69.500112.4E338 Y341 L354 T365 D369 W370 K375 S376 L377E338-M373 HydrophobicContact CG-CG 4.18Å; E338-M373 HydrophobicContact CG-SD 3.63Å; Y341-M373 HydrophobicContact CD2-SD 4.06Å; L354-M373 HydrophobicContact CD1-CB 3.87Å; T365-M373 HydrophobicContact CG2-CE 3.47Å; T365-M373 VanDerWaalsContact CG2-CE 3.47Å; D369-M373 PolarHBondContact O-N 2.81Å; W370-M373 HydrophobicContact CD2-CE 3.95Å; W370-M373 HydrophobicContact CE3-CE 3.36Å; W370-M373 HydrophobicContact CH2-CE 4.34Å; W370-M373 HydrophobicContact CZ3-CE 3.59Å; M373-K375 PolarHBondContact O-N 2.64Å; M373-S376 PolarHBondContact O-N 3.44Å; M373-S376 PolarHBondContact O-OG 3.36Å; M373-L377 VanDerWaalsContact O-CG 3.26Å; M373-L377 WeakPolarHBondContact O-CG 3.28Å; M373-L377 PolarHBondContact O-N 2.77Å
374A95.1Very high92.4Very high0 Ų045.9 Ų45.90%029%0.292CS..Hα-helixtrans-59.8-37.7175.900000111.9L354 W370 E372 L377 A378 I384 L386 F410L354-A374 HydrophobicContact CD1-CB 4.22Å; L354-A374 HydrophobicContact CD2-CB 4.23Å; W370-A374 WeakPolarHBondContact O-CB 3.29Å; W370-A374 PolarHBondContact O-N 2.85Å; E372-A374 PolarHBondContact O-N 2.94Å; A374-L377 PolarHBondContact O-N 3.1Å; A374-A378 PolarHBondContact O-N 3.17Å; A374-I384 HydrophobicContact CB-CG2 3.95Å; A374-L386 HydrophobicContact CB-CD2 4.22Å; A374-F410 VanDerWaalsContact C-CZ 3.43Å; A374-F410 HydrophobicContact CB-CD1 4.38Å; A374-F410 HydrophobicContact CB-CD2 3.59Å; A374-F410 HydrophobicContact CB-CE1 4.28Å; A374-F410 HydrophobicContact CB-CE2 3.47Å; A374-F410 VanDerWaalsContact CB-CE2 3.47Å; A374-F410 HydrophobicContact CB-CG 4.06Å; A374-F410 HydrophobicContact CB-CZ 3.85Å; A374-F410 WeakPolarHBondContact O-CE1 3.18Å; A374-F410 WeakPolarHBondContact O-CZ 3.44Å
375K96.1Very high93Very high111 Ų11144.2 Ų44.248%0.48328%0.278SS..Hα-helixtrans-73-35.5176.2-69.6166.2-168.3-87.90113.3L371 E372 M373 L377 A378 E409 F410L371-K375 WeakPolarHBondContact O-CD 3.41Å; L371-K375 VanDerWaalsContact O-CG 3.31Å; L371-K375 WeakPolarHBondContact O-CG 3.31Å; L371-K375 PolarHBondContact O-N 3Å; E372-K375 PolarHBondContact O-N 3.07Å; M373-K375 PolarHBondContact O-N 2.64Å; K375-L377 VanDerWaalsContact C-N 3.28Å; K375-L377 PolarHBondContact O-N 3.31Å; K375-A378 WeakPolarHBondContact O-CB 3.35Å; K375-A378 PolarHBondContact O-N 3.18Å; K375-E409 WeakPolarHBondContact CE-OE2 3.39Å; K375-E409 IonicContact NZ-OE2 2.65Å; K375-E409 PolarHBondContact NZ-OE2 3.07Å; K375-F410 HydrophobicContact CB-CZ 4.37Å; K375-F410 HydrophobicContact CG-CE2 3.77Å; K375-F410 HydrophobicContact CG-CZ 3.67Å
376S94.8Very high93.6Very high90 Ų9043.9 Ų43.963%0.62928%0.276SS*.Hα-helixtrans-67-32.8172.771.10000111.9E372 M373E372-S376 PolarHBondContact O-N 3.17Å; M373-S376 PolarHBondContact O-N 3.44Å; M373-S376 PolarHBondContact O-OG 3.36Å
377L93.7Very high93.8Very high3 Ų338 Ų382%0.01625%0.251CS..Hα-helixtrans-76.4-22.8175.1-65.5176.3000114.6Y341 A345 I352 L354 M373 A374 K375 G379 S380 I384Y341-L377 HydrophobicContact CD1-CD1 3.87Å; Y341-L377 HydrophobicContact CG-CD1 4.3Å; Y341-L377 WeakPolarHBondContact O-CD2 3.34Å; A345-L377 HydrophobicContact CB-CD2 3.68Å; I352-L377 HydrophobicContact CD1-CD1 4.26Å; I352-L377 HydrophobicContact CD1-CD2 4.07Å; I352-L377 HydrophobicContact CG2-CD1 3.95Å; L354-L377 HydrophobicContact CD1-CD1 3.89Å; M373-L377 VanDerWaalsContact O-CG 3.26Å; M373-L377 WeakPolarHBondContact O-CG 3.28Å; M373-L377 PolarHBondContact O-N 2.77Å; A374-L377 PolarHBondContact O-N 3.1Å; K375-L377 VanDerWaalsContact C-N 3.28Å; K375-L377 PolarHBondContact O-N 3.31Å; L377-G379 PolarHBondContact O-N 3.11Å; L377-G379 VanDerWaalsContact O-N 3.11Å; L377-S380 VanDerWaalsContact O-CB 3.25Å; L377-S380 WeakPolarHBondContact O-CB 3.4Å; L377-S380 PolarHBondContact O-N 2.9Å; L377-S380 PolarHBondContact O-OG 3.49Å; L377-I384 HydrophobicContact CB-CD1 3.6Å; L377-I384 HydrophobicContact CB-CG1 4.08Å; L377-I384 HydrophobicContact CD1-CD1 4.34Å
378A91.8Very high94Very high46 Ų4637.7 Ų37.738%0.3825%0.249SC..G310 helixtrans-55.7-31.6-176.700000113.5A374 K375 S380 F410A374-A378 PolarHBondContact O-N 3.17Å; K375-A378 WeakPolarHBondContact O-CB 3.35Å; K375-A378 PolarHBondContact O-N 3.18Å; A378-S380 VanDerWaalsContact C-N 3.28Å; A378-S380 PolarHBondContact O-N 2.83Å; A378-F410 HydrophobicContact CB-CE1 3.99Å; A378-F410 HydrophobicContact CB-CZ 4.34Å
379G91.4Very high93.9Very high78 Ų7836.4 Ų36.480%0.80423%0.234SC*.G310 helixtrans-74.5-6.9176.400000115.7L377 G381L377-G379 PolarHBondContact O-N 3.11Å; L377-G379 VanDerWaalsContact O-N 3.11Å; G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 3.37Å
380S92.2Very high93.8Very high34 Ų3435 Ų3524%0.23823%0.227CC..G310 helixtrans-77.9-7.1-176.366.60000114.9L377 A378 K382L377-S380 VanDerWaalsContact O-CB 3.25Å; L377-S380 WeakPolarHBondContact O-CB 3.4Å; L377-S380 PolarHBondContact O-N 2.9Å; L377-S380 PolarHBondContact O-OG 3.49Å; A378-S380 VanDerWaalsContact C-N 3.28Å; A378-S380 PolarHBondContact O-N 2.83Å; S380-K382 PolarHBondContact O-N 2.8Å; S380-K382 WeakPolarHBondContact OG-CB 3.45Å; S380-K382 WeakPolarHBondContact OG-CG 3.37Å; S380-K382 PolarHBondContact OG-N 3.25Å
381G91.5Very high93.7Very high79 Ų7934.8 Ų34.881%0.81423%0.226SC*.SBendtrans75.76.3-17400000114.6G379G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 3.37Å
382K89.9Confident93.5Very high36 Ų3633.5 Ų33.516%0.15722%0.22CC..SBendtrans-96.9151.1-178.1-56.9175.2-172.3-54.80110.9A344 A345 S347 A349 D350 I352 S380 I384A344-K382 VanDerWaalsContact O-CE 3.28Å; A344-K382 WeakPolarHBondContact O-CE 3.38Å; A345-K382 WeakPolarHBondContact O-CE 3.26Å; S347-K382 PolarHBondContact O-NZ 2.8Å; A349-K382 VanDerWaalsContact O-CD 3.31Å; A349-K382 WeakPolarHBondContact O-CD 3.24Å; A349-K382 WeakPolarHBondContact O-CG 3.34Å; A349-K382 PolarHBondContact O-NZ 3.03Å; D350-K382 CarbonylContact O-C 3.47Å; D350-K382 WeakPolarHBondContact O-CA 3.39Å; I352-K382 HydrophobicContact CD1-CD 3.61Å; I352-K382 HydrophobicContact CG1-CB 4.43Å; I352-K382 HydrophobicContact CG1-CD 3.94Å; S380-K382 PolarHBondContact O-N 2.8Å; S380-K382 WeakPolarHBondContact OG-CB 3.45Å; S380-K382 WeakPolarHBondContact OG-CG 3.37Å; S380-K382 PolarHBondContact OG-N 3.25Å; K382-I384 HydrophobicContact CB-CD1 4.24Å; K382-I384 PolarHBondContact O-N 3.21Å
383Q92.3Very high93.1Very high61 Ų6127.7 Ų27.729%0.28519%0.193SC..EExtended strand (participates in β ladder)trans-73.7120.7172-171.6-16854.500109.7D350 V351 I352 V385D350-Q383 PolarHBondContact O-N 2.77Å; V351-Q383 CarbonylContact C-O 3.44Å; V351-Q383 WeakPolarHBondContact CA-O 3.44Å; V351-Q383 HydrophobicContact CG1-CB 4.41Å; V351-Q383 HydrophobicContact CG2-CB 4.31Å; I352-Q383 PolarHBondContact N-O 3.46Å; Q383-V385 HydrophobicContact CG-CG2 4.21Å
384I94.9Very high92.8Very high11 Ų1128.6 Ų28.66%0.05620%0.201CC..EExtended strand (participates in β ladder)trans-99.8126.2-178.7-50.7-51.7000109.3I352 L354 A374 L377 K382 F410 L411I352-I384 HydrophobicContact CB-CD1 4.02Å; I352-I384 HydrophobicContact CD1-CD1 4.37Å; I352-I384 HydrophobicContact CG1-CD1 4.44Å; L354-I384 HydrophobicContact CD2-CG2 3.49Å; L354-I384 VanDerWaalsContact CD2-CG2 3.49Å; A374-I384 HydrophobicContact CB-CG2 3.95Å; L377-I384 HydrophobicContact CB-CD1 3.6Å; L377-I384 HydrophobicContact CB-CG1 4.08Å; L377-I384 HydrophobicContact CD1-CD1 4.34Å; K382-I384 HydrophobicContact CB-CD1 4.24Å; K382-I384 PolarHBondContact O-N 3.21Å; I384-F410 HydrophobicContact CB-CD1 3.79Å; I384-F410 HydrophobicContact CB-CE1 4.29Å; I384-F410 HydrophobicContact CG2-CD1 3.93Å; I384-F410 HydrophobicContact CG2-CE1 4.39Å; I384-F410 HydrophobicContact CG2-CG 4.35Å; I384-L411 PolarHBondContact O-N 3.43Å
385V95.5Very high92.3Very high0 Ų030.8 Ų30.80%022%0.216CC..EExtended strand (participates in β ladder)trans-128.8125.8-175.2-167.70000111V351 I352 Y353 L354 Q383 L411 E413 V431V351-V385 HydrophobicContact CG1-CG2 3.74Å; I352-V385 PolarHBondContact O-N 3.41Å; Y353-V385 WeakPolarHBondContact CA-O 3.44Å; Y353-V385 HydrophobicContact CD1-CB 3.65Å; Y353-V385 HydrophobicContact CD1-CG1 3.8Å; Y353-V385 HydrophobicContact CD1-CG2 4.46Å; Y353-V385 HydrophobicContact CE1-CB 3.61Å; Y353-V385 HydrophobicContact CE1-CG1 3.47Å; Y353-V385 VanDerWaalsContact CE1-CG1 3.47Å; Y353-V385 HydrophobicContact CE1-CG2 4.08Å; Y353-V385 HydrophobicContact CG-CB 4.37Å; L354-V385 PolarHBondContact N-O 3.03Å; Q383-V385 HydrophobicContact CG-CG2 4.21Å; V385-L411 CarbonylContact C-O 3.56Å; V385-L411 WeakPolarHBondContact CA-O 3.48Å; V385-L411 HydrophobicContact CG1-CB 4.22Å; V385-L411 HydrophobicContact CG1-CD2 4.37Å; V385-L411 HydrophobicContact CG1-CG 4.16Å; V385-L411 HydrophobicContact CG2-CB 4.26Å; V385-L411 HydrophobicContact CG2-CD2 4.09Å; V385-E413 HydrophobicContact CG1-CB 3.99Å; V385-V431 HydrophobicContact CG1-CG2 3.91Å
386L96.6Very high92Very high0 Ų029.1 Ų29.10%022%0.218CC..EExtended strand (participates in β ladder)trans-89.7103.9-179.4-68.5166000111L354 L371 A374 Y404 N407 F410 L411 I412 E413L354-L386 HydrophobicContact CD2-CD2 3.89Å; L354-L386 HydrophobicContact CG-CD2 4.16Å; L354-L386 CarbonylContact O-C 3.56Å; L354-L386 VanDerWaalsContact O-CA 3.25Å; L354-L386 WeakPolarHBondContact O-CA 3.2Å; L371-L386 HydrophobicContact CD2-CD1 3.56Å; L371-L386 HydrophobicContact CD2-CD2 4.38Å; A374-L386 HydrophobicContact CB-CD2 4.22Å; L386-Y404 HydrophobicContact CB-CD1 4.47Å; L386-Y404 HydrophobicContact CD1-CD1 4.29Å; L386-Y404 HydrophobicContact CD2-CD1 4.32Å; L386-Y404 HydrophobicContact CD2-CE1 4.37Å; L386-N407 HydrophobicContact CD1-CB 4.32Å; L386-F410 HydrophobicContact CD1-CB 3.81Å; L386-F410 HydrophobicContact CD1-CD2 4.14Å; L386-F410 HydrophobicContact CD1-CG 4.4Å; L386-F410 HydrophobicContact CG-CB 4.12Å; L386-L411 PolarHBondContact N-O 3.28Å; L386-I412 HydrophobicContact CB-CD1 3.92Å; L386-I412 HydrophobicContact CD1-CD1 4.14Å; L386-E413 PolarHBondContact O-N 3.36Å
387S95.2Very high91.8Very high6 Ų625.1 Ų25.14%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-68.5130.4173.2-63.20000111.9L354 E413L354-S387 PolarHBondContact O-N 3.42Å; S387-E413 WeakPolarHBondContact CB-OE2 3.29Å; S387-E413 PolarHBondContact OG-OE2 3.26Å
388T95.2Very high91.8Very high0 Ų025.8 Ų25.80%019%0.194CC..  trans-106.8163.7-179.459.10000113.4A357 A390 L401 I412 E413 S415 V419A357-T388 VanDerWaalsContact CB-O 3.26Å; A357-T388 WeakPolarHBondContact CB-O 3.48Å; T388-A390 PolarHBondContact O-N 3.3Å; T388-L401 HydrophobicContact CG2-CD2 3.81Å; T388-I412 HydrophobicContact CG2-CG2 3.74Å; T388-E413 WeakPolarHBondContact CB-O 3.45Å; T388-E413 PolarHBondContact N-O 2.86Å; T388-E413 VanDerWaalsContact N-O 3.16Å; T388-E413 PolarHBondContact OG1-O 2.88Å; T388-S415 WeakPolarHBondContact O-CB 3.34Å; T388-S415 PolarHBondContact O-OG 3.26Å; T388-S415 PolarHBondContact OG1-N 2.89Å; T388-S415 VanDerWaalsContact OG1-N 3.14Å; T388-V419 HydrophobicContact CG2-CG1 4.02Å; T388-V419 HydrophobicContact CG2-CG2 4.42Å
389L92.3Very high91.8Very high6 Ų625.4 Ų25.43%0.03119%0.194CC..  trans-50.2117.9178.9-63.4176.1000112.2E356 A357 V358 L391 V392 E397 L401E356-L389 WeakPolarHBondContact O-CD2 3.39Å; A357-L389 WeakPolarHBondContact O-CA 3.49Å; A357-L389 WeakPolarHBondContact O-CD2 3.2Å; V358-L389 WeakPolarHBondContact O-CD2 3.39Å; L389-L391 PolarHBondContact O-N 3.36Å; L389-L391 VanDerWaalsContact O-N 3.17Å; L389-V392 HydrophobicContact CB-CG2 3.91Å; L389-E397 HydrophobicContact CD1-CB 3.82Å; L389-E397 HydrophobicContact CD1-CG 4.22Å; L389-L401 HydrophobicContact CB-CD1 4.37Å; L389-L401 HydrophobicContact CB-CD2 4.14Å; L389-L401 HydrophobicContact CD1-CD1 4.17Å; L389-L401 HydrophobicContact CD1-CD2 4.3Å; L389-L401 HydrophobicContact CD1-CG 4.16Å; L389-L401 HydrophobicContact CG-CD2 4.07Å; L389-L401 HydrophobicContact CG-CG 4.47Å
390A92.5Very high91.9Very high3 Ų324.6 Ų24.63%0.02517%0.169CC..SBendtrans-71.6-6.5-177.600000115R175 A357 T388 S415 A435 Y496R175-A390 PolarHBondContact NH1-O 3.45Å; A357-A390 PolarHBondContact O-N 2.89Å; T388-A390 PolarHBondContact O-N 3.3Å; A390-S415 VanDerWaalsContact CA-CB 3.45Å; A390-A435 HydrophobicContact CB-CB 3.94Å; A390-Y496 HydrophobicContact CB-CD1 3.9Å; A390-Y496 HydrophobicContact CB-CE1 3.28Å
391L91.4Very high92Very high1 Ų123 Ų231%0.00516%0.158CC..SBendtrans-158.6144.4167.6-169.149.9000108.8T121 S172 Y326 L389T121-L391 HydrophobicContact CG2-CD1 3.91Å; T121-L391 VanDerWaalsContact OG1-CD1 3.24Å; T121-L391 WeakPolarHBondContact OG1-CD1 3.37Å; S172-L391 WeakPolarHBondContact OG-CD2 3.29Å; Y326-L391 HydrophobicContact CD1-CB 3.63Å; Y326-L391 HydrophobicContact CD1-CD2 3.86Å; Y326-L391 HydrophobicContact CD1-CG 3.98Å; Y326-L391 VanDerWaalsContact CD2-C 3.48Å; Y326-L391 HydrophobicContact CD2-CB 3.85Å; Y326-L391 HydrophobicContact CD2-CG 4.19Å; Y326-L391 WeakPolarHBondContact CD2-O 3.27Å; Y326-L391 HydrophobicContact CE1-CB 3.8Å; Y326-L391 HydrophobicContact CE1-CD2 3.26Å; Y326-L391 HydrophobicContact CE1-CG 3.58Å; Y326-L391 HydrophobicContact CE2-CB 3.95Å; Y326-L391 HydrophobicContact CE2-CD2 4.34Å; Y326-L391 HydrophobicContact CE2-CG 3.75Å; Y326-L391 HydrophobicContact CG-CB 3.68Å; Y326-L391 HydrophobicContact CG-CG 4.29Å; Y326-L391 VanDerWaalsContact CZ-CD2 3.49Å; L389-L391 PolarHBondContact O-N 3.36Å; L389-L391 VanDerWaalsContact O-N 3.17Å
392V92.3Very high92.2Very high1 Ų123.8 Ų23.81%0.00614%0.139CC..  trans-142.3120.4-163-172.20000108.9T121 N122 L389 E397 L398 L401 D416T121-V392 CarbonylContact C-O 3.46Å; T121-V392 VanDerWaalsContact CB-O 3.27Å; T121-V392 WeakPolarHBondContact CB-O 3.28Å; T121-V392 PolarHBondContact OG1-O 2.94Å; T121-V392 VanDerWaalsContact OG1-O 3.08Å; N122-V392 HydrophobicContact CB-CB 4.49Å; N122-V392 HydrophobicContact CB-CG1 4.38Å; N122-V392 PolarHBondContact ND2-O 2.97Å; L389-V392 HydrophobicContact CB-CG2 3.91Å; V392-E397 HydrophobicContact CG1-CB 3.85Å; V392-L398 HydrophobicContact CG1-CD2 3.85Å; V392-L398 HydrophobicContact CG1-CG 4.18Å; V392-L401 HydrophobicContact CB-CD1 4.27Å; V392-L401 HydrophobicContact CG1-CD1 3.67Å; V392-L401 HydrophobicContact CG2-CD1 3.53Å; V392-D416 HydrophobicContact CG2-CB 4.03Å
393Q86.9Confident92.4Very high10 Ų1028.1 Ų28.15%0.04715%0.154CC..  trans-130.1-12.2-174.5-73.2-175.6-39.200115.1T121 V143 L144 Q148 Y326 E397T121-Q393 HydrophobicContact CG2-CG 4.27Å; V143-Q393 VanDerWaalsContact C-NE2 3.31Å; V143-Q393 PolarHBondContact O-NE2 2.93Å; L144-Q393 HydrophobicContact CD2-CB 3.93Å; L144-Q393 HydrophobicContact CD2-CG 3.63Å; Q148-Q393 VanDerWaalsContact NE2-CB 3.25Å; Q148-Q393 PolarHBondContact NE2-O 2.96Å; Y326-Q393 HydrophobicContact CE2-CB 4.24Å; Y326-Q393 HydrophobicContact CE2-CG 3.65Å; Y326-Q393 WeakPolarHBondContact OH-CG 3.46Å; Y326-Q393 PolarHBondContact OH-NE2 2.95Å; Y326-Q393 PolarHBondContact OH-OE1 3.21Å; Q393-E397 PolarHBondContact N-OE2 2.71Å
394A86.5Confident92.6Very high24 Ų2425.5 Ų25.520%0.19814%0.142CC..SBendtrans-120.2146.3-178.400000112.4S396 E397 L398A394-S396 PolarHBondContact O-N 3.38Å; A394-E397 HydrophobicContact CB-CG 4.09Å; A394-E397 PolarHBondContact N-OE2 3.39Å; A394-E397 WeakPolarHBondContact O-CA 3.35Å; A394-E397 VanDerWaalsContact O-CB 3.29Å; A394-E397 WeakPolarHBondContact O-CB 3.22Å; A394-E397 PolarHBondContact O-N 2.93Å; A394-L398 PolarHBondContact O-N 2.74Å
395S86.2Confident92.7Very high47 Ų4725 Ų2533%0.32914%0.14SC..Hα-helixtrans-65.6-20.5177.6-67.80000113.7Q151 E397 G399Q151-S395 PolarHBondContact NE2-OG 2.98Å; S395-E397 VanDerWaalsContact C-N 3.3Å; S395-G399 PolarHBondContact O-N 3.25Å
396S88.4Confident92.8Very high75 Ų7529.8 Ų29.852%0.52416%0.162SC..Hα-helixtrans-64.1-36.516854.10000112.1A394 G399 E400A394-S396 PolarHBondContact O-N 3.38Å; S396-G399 PolarHBondContact O-N 2.91Å; S396-E400 PolarHBondContact O-N 2.93Å
397E91.9Very high92.7Very high7 Ų731.1 Ų31.13%0.03317%0.169CC..Hα-helixtrans-72.4-42178.8-59.2175.8145.700109.8S360 L389 V392 Q393 A394 S395 G399 E400 L401S360-E397 PolarHBondContact OG-OE1 2.99Å; L389-E397 HydrophobicContact CD1-CB 3.82Å; L389-E397 HydrophobicContact CD1-CG 4.22Å; V392-E397 HydrophobicContact CG1-CB 3.85Å; Q393-E397 PolarHBondContact N-OE2 2.71Å; A394-E397 HydrophobicContact CB-CG 4.09Å; A394-E397 PolarHBondContact N-OE2 3.39Å; A394-E397 WeakPolarHBondContact O-CA 3.35Å; A394-E397 VanDerWaalsContact O-CB 3.29Å; A394-E397 WeakPolarHBondContact O-CB 3.22Å; A394-E397 PolarHBondContact O-N 2.93Å; S395-E397 VanDerWaalsContact C-N 3.3Å; E397-G399 VanDerWaalsContact C-N 3.28Å; E397-G399 PolarHBondContact O-N 2.78Å; E397-E400 PolarHBondContact O-N 2.75Å; E397-L401 WeakPolarHBondContact O-CB 3.47Å; E397-L401 WeakPolarHBondContact O-CG 3.3Å; E397-L401 PolarHBondContact O-N 2.95Å
398L92.7Very high92.6Very high17 Ų1734.4 Ų34.49%0.08920%0.203CC..Hα-helixtrans-58-39.3168.8-65.3174.9000112.1N122 E123 E124 V392 A394 L401 K402 M422N122-L398 HydrophobicContact CB-CD1 4.29Å; N122-L398 HydrophobicContact CB-CD2 4.1Å; N122-L398 HydrophobicContact CB-CG 4.48Å; E123-L398 HydrophobicContact CB-CD1 4.35Å; E124-L398 HydrophobicContact CB-CD2 4.41Å; E124-L398 HydrophobicContact CG-CD1 4.45Å; E124-L398 HydrophobicContact CG-CD2 3.95Å; V392-L398 HydrophobicContact CG1-CD2 3.85Å; V392-L398 HydrophobicContact CG1-CG 4.18Å; A394-L398 PolarHBondContact O-N 2.74Å; L398-L401 PolarHBondContact O-N 3.09Å; L398-K402 VanDerWaalsContact O-CB 3.29Å; L398-K402 WeakPolarHBondContact O-CB 3.12Å; L398-K402 PolarHBondContact O-N 2.93Å; L398-M422 HydrophobicContact CB-CE 4.07Å; L398-M422 HydrophobicContact CD2-CE 3.71Å; L398-M422 HydrophobicContact CG-CE 4.49Å
399G92.6Very high92.6Very high38 Ų3839.4 Ų39.439%0.39223%0.227SC..Hα-helixtrans-66-34.8175.900000114.2S395 S396 E397S395-G399 PolarHBondContact O-N 3.25Å; S396-G399 PolarHBondContact O-N 2.91Å; E397-G399 VanDerWaalsContact C-N 3.28Å; E397-G399 PolarHBondContact O-N 2.78Å
400E92.2Very high92.8Very high60 Ų6040.1 Ų40.128%0.2823%0.23SC..Hα-helixtrans-73.9-42.3172.8-73.9176.916800111.6V367 S396 E397 K402 R403 Y404V367-E400 HydrophobicContact CG2-CB 4.06Å; V367-E400 HydrophobicContact CG2-CG 4.24Å; S396-E400 PolarHBondContact O-N 2.93Å; E397-E400 PolarHBondContact O-N 2.75Å; E400-K402 PolarHBondContact O-N 3.36Å; E400-R403 WeakPolarHBondContact O-CB 3.41Å; E400-R403 PolarHBondContact O-N 3.06Å; E400-R403 VanDerWaalsContact O-N 3.14Å; E400-Y404 PolarHBondContact O-N 3.44Å
401L94.3Very high93Very high2 Ų240.9 Ų40.91%0.0123%0.233CC..Hα-helixtrans-62.7-41.3176.5-71.8169.9000112.8T388 L389 V392 E397 L398 R403 Y404 V405 V419 M422T388-L401 HydrophobicContact CG2-CD2 3.81Å; L389-L401 HydrophobicContact CB-CD1 4.37Å; L389-L401 HydrophobicContact CB-CD2 4.14Å; L389-L401 HydrophobicContact CD1-CD1 4.17Å; L389-L401 HydrophobicContact CD1-CD2 4.3Å; L389-L401 HydrophobicContact CD1-CG 4.16Å; L389-L401 HydrophobicContact CG-CD2 4.07Å; L389-L401 HydrophobicContact CG-CG 4.47Å; V392-L401 HydrophobicContact CB-CD1 4.27Å; V392-L401 HydrophobicContact CG1-CD1 3.67Å; V392-L401 HydrophobicContact CG2-CD1 3.53Å; E397-L401 WeakPolarHBondContact O-CB 3.47Å; E397-L401 WeakPolarHBondContact O-CG 3.3Å; E397-L401 PolarHBondContact O-N 2.95Å; L398-L401 PolarHBondContact O-N 3.09Å; L401-R403 PolarHBondContact O-N 2.83Å; L401-Y404 HydrophobicContact CD2-CD2 4.46Å; L401-Y404 WeakPolarHBondContact O-CB 3.42Å; L401-Y404 PolarHBondContact O-N 3.15Å; L401-V405 PolarHBondContact O-N 2.94Å; L401-V419 HydrophobicContact CD1-CG2 4.02Å; L401-V419 HydrophobicContact CD2-CG2 4.07Å; L401-V419 HydrophobicContact CG-CG2 4.48Å; L401-M422 HydrophobicContact CB-CE 4.42Å; L401-M422 HydrophobicContact CB-SD 4.49Å
402K95.9Very high93.3Very high94 Ų9441 Ų4141%0.40923%0.234SC..Hα-helixtrans-54.8-36.8173.7-179.4176.1177.3178.20111.9L398 E400 V405 E406 M422L398-K402 VanDerWaalsContact O-CB 3.29Å; L398-K402 WeakPolarHBondContact O-CB 3.12Å; L398-K402 PolarHBondContact O-N 2.93Å; E400-K402 PolarHBondContact O-N 3.36Å; K402-V405 PolarHBondContact O-N 3.02Å; K402-E406 WeakPolarHBondContact CE-OE1 3.15Å; K402-E406 WeakPolarHBondContact CE-OE2 3.45Å; K402-E406 HydrophobicContact CG-CG 4.35Å; K402-E406 WeakPolarHBondContact CG-OE2 3.34Å; K402-E406 IonicContact NZ-OE1 3.38Å; K402-E406 VanDerWaalsContact O-CB 3.28Å; K402-E406 WeakPolarHBondContact O-CB 3.16Å; K402-E406 WeakPolarHBondContact O-CG 3.37Å; K402-E406 PolarHBondContact O-N 3.38Å; K402-M422 HydrophobicContact CB-CE 4.49Å; K402-M422 HydrophobicContact CB-SD 4.13Å
403R95.5Very high93.6Very high127 Ų12741.1 Ų41.148%0.47924%0.235SC..Hα-helixtrans-71.9-29176.6-67.4174.559.1-152-6.3113.7V367 E400 L401V367-R403 HydrophobicContact CG1-CB 3.96Å; E400-R403 WeakPolarHBondContact O-CB 3.41Å; E400-R403 PolarHBondContact O-N 3.06Å; E400-R403 VanDerWaalsContact O-N 3.14Å; L401-R403 PolarHBondContact O-N 2.83Å
404Y96Very high94.1Very high6 Ų640.7 Ų40.72%0.02423%0.232CC..Hα-helixtrans-69.5-50.1167.9-72.6-65.8000110.2E356 V367 W370 L371 L386 E400 L401 E406 N407 I412E356-Y404 PolarHBondContact N-OH 2.99Å; V367-Y404 HydrophobicContact CB-CE1 4.49Å; V367-Y404 HydrophobicContact CB-CE2 4.45Å; V367-Y404 HydrophobicContact CG1-CD1 4.06Å; V367-Y404 HydrophobicContact CG1-CD2 4.29Å; V367-Y404 HydrophobicContact CG1-CE1 3.9Å; V367-Y404 HydrophobicContact CG1-CE2 4.16Å; V367-Y404 HydrophobicContact CG1-CG 4.26Å; V367-Y404 HydrophobicContact CG2-CD2 4.47Å; V367-Y404 HydrophobicContact CG2-CE2 3.8Å; W370-Y404 HydrophobicContact CB-CE1 4.03Å; L371-Y404 HydrophobicContact CD2-CD1 4.45Å; L386-Y404 HydrophobicContact CB-CD1 4.47Å; L386-Y404 HydrophobicContact CD1-CD1 4.29Å; L386-Y404 HydrophobicContact CD2-CD1 4.32Å; L386-Y404 HydrophobicContact CD2-CE1 4.37Å; E400-Y404 PolarHBondContact O-N 3.44Å; L401-Y404 HydrophobicContact CD2-CD2 4.46Å; L401-Y404 WeakPolarHBondContact O-CB 3.42Å; L401-Y404 PolarHBondContact O-N 3.15Å; Y404-E406 VanDerWaalsContact C-N 3.28Å; Y404-E406 PolarHBondContact O-N 2.72Å; Y404-N407 WeakPolarHBondContact O-CB 3.43Å; Y404-N407 PolarHBondContact O-N 3.34Å; Y404-N407 VanDerWaalsContact O-N 3.1Å; Y404-N407 PolarHBondContact O-ND2 2.85Å; Y404-I412 WeakPolarHBondContact O-CD1 3.08Å
405V97.2Very high94.5Very high1 Ų139.8 Ų39.81%0.00623%0.225CC..Hα-helixtrans-59.6-38.5179.9178.70000111.9L401 K402 N407 V419 M422 L428L401-V405 PolarHBondContact O-N 2.94Å; K402-V405 PolarHBondContact O-N 3.02Å; V405-N407 VanDerWaalsContact C-N 3.25Å; V405-N407 PolarHBondContact O-N 2.78Å; V405-V419 HydrophobicContact CG2-CG1 4.03Å; V405-M422 HydrophobicContact CB-CB 4.44Å; V405-M422 HydrophobicContact CG1-CB 4.1Å; V405-M422 HydrophobicContact CG2-CB 4.03Å; V405-M422 HydrophobicContact CG2-SD 4.2Å; V405-L428 HydrophobicContact CG1-CD1 3.73Å; V405-L428 WeakPolarHBondContact O-CD1 3.32Å
406E96.2Very high95Very high100 Ų10037.5 Ų37.547%0.46721%0.209SC..THydrogen-bonded Turntrans-86.218.9179.7-65.7172.7176.400113.6K402 Y404 R426K402-E406 WeakPolarHBondContact CE-OE1 3.15Å; K402-E406 WeakPolarHBondContact CE-OE2 3.45Å; K402-E406 HydrophobicContact CG-CG 4.35Å; K402-E406 WeakPolarHBondContact CG-OE2 3.34Å; K402-E406 IonicContact NZ-OE1 3.38Å; K402-E406 VanDerWaalsContact O-CB 3.28Å; K402-E406 WeakPolarHBondContact O-CB 3.16Å; K402-E406 WeakPolarHBondContact O-CG 3.37Å; K402-E406 PolarHBondContact O-N 3.38Å; Y404-E406 VanDerWaalsContact C-N 3.28Å; Y404-E406 PolarHBondContact O-N 2.72Å; E406-R426 IonicContact OE1-CZ 2.71Å; E406-R426 VanDerWaalsContact OE1-CZ 3.27Å; E406-R426 IonicContact OE1-NE 3.25Å; E406-R426 PolarHBondContact OE1-NE 3.27Å; E406-R426 IonicContact OE1-NH2 2.76Å; E406-R426 PolarHBondContact OE1-NH2 3.4Å
407N96.1Very high95.4Very high29 Ų2934.6 Ų34.616%0.15519%0.187CC..THydrogen-bonded Turntrans-68-32.4179.285.687.4000114.1L371 L386 Y404 V405 E409 F410L371-N407 HydrophobicContact CD2-CB 3.61Å; L386-N407 HydrophobicContact CD1-CB 4.32Å; Y404-N407 WeakPolarHBondContact O-CB 3.43Å; Y404-N407 PolarHBondContact O-N 3.34Å; Y404-N407 VanDerWaalsContact O-N 3.1Å; Y404-N407 PolarHBondContact O-ND2 2.85Å; V405-N407 VanDerWaalsContact C-N 3.25Å; V405-N407 PolarHBondContact O-N 2.78Å; N407-E409 PolarHBondContact O-N 2.93Å; N407-E409 PolarHBondContact OD1-N 3.04Å; N407-F410 PolarHBondContact ND2-O 3.36Å; N407-F410 VanDerWaalsContact ND2-O 3.09Å; N407-F410 WeakPolarHBondContact OD1-CD2 3.24Å; N407-F410 PolarHBondContact OD1-N 2.92Å
408G92.8Very high95.6Very high74 Ų7434.3 Ų34.376%0.76319%0.186SC*.SBendtrans76.93.7172.600000117.7
409E93.9Very high95.9Very high105 Ų10533.5 Ų33.549%0.49118%0.182SC..SBendtrans-132.4-39.3-171.4-168.6175.3174.600113.1K375 N407K375-E409 WeakPolarHBondContact CE-OE2 3.39Å; K375-E409 IonicContact NZ-OE2 2.65Å; K375-E409 PolarHBondContact NZ-OE2 3.07Å; N407-E409 PolarHBondContact O-N 2.93Å; N407-E409 PolarHBondContact OD1-N 3.04Å
410F96.9Very high96.1Very high22 Ų2231.7 Ų31.710%0.09616%0.163CC..SBendtrans-113148.1-173.9-50-65000112.5A374 K375 A378 I384 L386 N407A374-F410 VanDerWaalsContact C-CZ 3.43Å; A374-F410 HydrophobicContact CB-CD1 4.38Å; A374-F410 HydrophobicContact CB-CD2 3.59Å; A374-F410 HydrophobicContact CB-CE1 4.28Å; A374-F410 HydrophobicContact CB-CE2 3.47Å; A374-F410 VanDerWaalsContact CB-CE2 3.47Å; A374-F410 HydrophobicContact CB-CG 4.06Å; A374-F410 HydrophobicContact CB-CZ 3.85Å; A374-F410 WeakPolarHBondContact O-CE1 3.18Å; A374-F410 WeakPolarHBondContact O-CZ 3.44Å; K375-F410 HydrophobicContact CB-CZ 4.37Å; K375-F410 HydrophobicContact CG-CE2 3.77Å; K375-F410 HydrophobicContact CG-CZ 3.67Å; A378-F410 HydrophobicContact CB-CE1 3.99Å; A378-F410 HydrophobicContact CB-CZ 4.34Å; I384-F410 HydrophobicContact CB-CD1 3.79Å; I384-F410 HydrophobicContact CB-CE1 4.29Å; I384-F410 HydrophobicContact CG2-CD1 3.93Å; I384-F410 HydrophobicContact CG2-CE1 4.39Å; I384-F410 HydrophobicContact CG2-CG 4.35Å; L386-F410 HydrophobicContact CD1-CB 3.81Å; L386-F410 HydrophobicContact CD1-CD2 4.14Å; L386-F410 HydrophobicContact CD1-CG 4.4Å; L386-F410 HydrophobicContact CG-CB 4.12Å; N407-F410 PolarHBondContact ND2-O 3.36Å; N407-F410 VanDerWaalsContact ND2-O 3.09Å; N407-F410 WeakPolarHBondContact OD1-CD2 3.24Å; N407-F410 PolarHBondContact OD1-N 2.92Å
411L96.4Very high96.4Very high19 Ų1928.8 Ų28.810%0.09915%0.15CC..EExtended strand (participates in β ladder)trans-66146.2176.7-175.361.2000110.4I384 V385 L386 P429 V431 M453I384-L411 PolarHBondContact O-N 3.43Å; V385-L411 CarbonylContact C-O 3.56Å; V385-L411 WeakPolarHBondContact CA-O 3.48Å; V385-L411 HydrophobicContact CG1-CB 4.22Å; V385-L411 HydrophobicContact CG1-CD2 4.37Å; V385-L411 HydrophobicContact CG1-CG 4.16Å; V385-L411 HydrophobicContact CG2-CB 4.26Å; V385-L411 HydrophobicContact CG2-CD2 4.09Å; L386-L411 PolarHBondContact N-O 3.28Å; L411-P429 HydrophobicContact CD1-CB 4.03Å; L411-P429 HydrophobicContact CD1-CG 4.08Å; L411-P429 WeakPolarHBondContact CD1-O 3.44Å; L411-V431 HydrophobicContact CD2-CG2 3.55Å; L411-V431 HydrophobicContact CG-CG2 4.05Å; L411-M453 HydrophobicContact CD1-CG 4.14Å; L411-M453 HydrophobicContact CD1-SD 3.56Å; L411-M453 VanDerWaalsContact CD1-SD 3.56Å; L411-M453 HydrophobicContact CD2-CE 4.2Å; L411-M453 HydrophobicContact CD2-CG 4.31Å; L411-M453 HydrophobicContact CD2-SD 3.63Å; L411-M453 HydrophobicContact CG-SD 4.27Å
412I98Very high96.6Very high3 Ų328.9 Ų28.92%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-101.5131176.5-57.2-53000109.8L386 T388 Y404 V419 F430 V431L386-I412 HydrophobicContact CB-CD1 3.92Å; L386-I412 HydrophobicContact CD1-CD1 4.14Å; T388-I412 HydrophobicContact CG2-CG2 3.74Å; Y404-I412 WeakPolarHBondContact O-CD1 3.08Å; I412-V419 HydrophobicContact CG2-CG1 3.74Å; I412-F430 CarbonylContact O-C 3.58Å; I412-F430 VanDerWaalsContact O-CA 3.23Å; I412-F430 WeakPolarHBondContact O-CA 3.27Å; I412-F430 WeakPolarHBondContact O-CB 3.33Å; I412-V431 PolarHBondContact O-N 3.23Å
413E98.1Very high96.7Very high4 Ų424.4 Ų24.42%0.01913%0.13CC..EExtended strand (participates in β ladder)trans-87111.9157.2166.2-179.3-14100108.5Y353 V385 L386 S387 T388 S415 V431 G433 R565Y353-E413 HydrophobicContact CD1-CB 4.41Å; Y353-E413 HydrophobicContact CE1-CB 4.14Å; V385-E413 HydrophobicContact CG1-CB 3.99Å; L386-E413 PolarHBondContact O-N 3.36Å; S387-E413 WeakPolarHBondContact CB-OE2 3.29Å; S387-E413 PolarHBondContact OG-OE2 3.26Å; T388-E413 WeakPolarHBondContact CB-O 3.45Å; T388-E413 PolarHBondContact N-O 2.86Å; T388-E413 VanDerWaalsContact N-O 3.16Å; T388-E413 PolarHBondContact OG1-O 2.88Å; E413-S415 PolarHBondContact O-N 2.94Å; E413-V431 CarbonylContact C-O 3.57Å; E413-V431 WeakPolarHBondContact CA-O 3.37Å; E413-V431 HydrophobicContact CB-CB 4.09Å; E413-G433 WeakPolarHBondContact OE1-CA 3.48Å; E413-R565 IonicContact OE1-CZ 3.65Å; E413-R565 IonicContact OE1-NH1 3.44Å; E413-R565 PolarHBondContact OE1-NH1 2.71Å; E413-R565 IonicContact OE1-NH2 2.74Å; E413-R565 PolarHBondContact OE1-NH2 3.02Å; E413-R565 IonicContact OE2-CZ 2.61Å; E413-R565 IonicContact OE2-NH1 2.75Å; E413-R565 IonicContact OE2-NH2 4Å; E413-R565 PolarHBondContact OE2-NH2 3.3Å
414A97.9Very high96.8Very high0 Ų019.2 Ų19.20%012%0.115CC..EExtended strand (participates in β ladder)trans-85.8105.3177.500000109.6V419 V420 F430 V431 G433 L436A414-V419 HydrophobicContact CB-CB 3.95Å; A414-V419 HydrophobicContact CB-CG1 3.75Å; A414-V420 HydrophobicContact CB-CG2 3.75Å; A414-F430 HydrophobicContact CB-CB 4.4Å; A414-F430 HydrophobicContact CB-CD2 3.8Å; A414-F430 HydrophobicContact CB-CE2 4.45Å; A414-F430 HydrophobicContact CB-CG 4.3Å; A414-V431 PolarHBondContact N-O 3.28Å; A414-G433 PolarHBondContact O-N 3.14Å; A414-L436 VanDerWaalsContact O-CD1 3.31Å; A414-L436 WeakPolarHBondContact O-CD1 3.46Å; A414-L436 WeakPolarHBondContact O-CG 3.26Å
415S95.6Very high96.9Very high5 Ų523 Ų234%0.03513%0.133CC..  trans-94.7-3.2-179.3-47.20000113.1T388 A390 E413 A435T388-S415 WeakPolarHBondContact O-CB 3.34Å; T388-S415 PolarHBondContact O-OG 3.26Å; T388-S415 PolarHBondContact OG1-N 2.89Å; T388-S415 VanDerWaalsContact OG1-N 3.14Å; A390-S415 VanDerWaalsContact CA-CB 3.45Å; E413-S415 PolarHBondContact O-N 2.94Å; S415-A435 WeakPolarHBondContact O-CB 3.39Å
416D95.7Very high96.9Very high0 Ų026.5 Ų26.50%015%0.146CC..SBendtrans-143151174.6-172.9-100.2000111.2N122 R175 V392 G418 V419 V420N122-D416 PolarHBondContact ND2-OD1 3.49Å; R175-D416 IonicContact CZ-OD2 3.27Å; R175-D416 VanDerWaalsContact CZ-OD2 3.24Å; R175-D416 IonicContact NH1-OD2 3.53Å; R175-D416 PolarHBondContact NH1-OD2 3.45Å; R175-D416 IonicContact NH2-OD2 3.35Å; R175-D416 PolarHBondContact NH2-OD2 2.7Å; V392-D416 HydrophobicContact CG2-CB 4.03Å; D416-G418 PolarHBondContact O-N 3.25Å; D416-G418 PolarHBondContact OD1-N 2.69Å; D416-V419 WeakPolarHBondContact O-CB 3.28Å; D416-V419 PolarHBondContact O-N 2.85Å; D416-V420 PolarHBondContact O-N 3.45Å
417L97Very high96.9Very high14 Ų1430.8 Ų30.87%0.07316%0.163CC..Hα-helixtrans-64.8-20.8179.9-79.4170.8000113.8L97 A125 F128 Y129 V419 V420 N421 L436 L447L97-L417 HydrophobicContact CD1-CD2 4.31Å; L97-L417 HydrophobicContact CD2-CD1 4.24Å; A125-L417 HydrophobicContact CB-CB 4.17Å; F128-L417 HydrophobicContact CD1-CD2 4.26Å; F128-L417 HydrophobicContact CE1-CD2 4.06Å; Y129-L417 HydrophobicContact CE1-CD1 4.48Å; Y129-L417 HydrophobicContact CE2-CD1 4.03Å; Y129-L417 WeakPolarHBondContact OH-CD1 3.48Å; L417-V419 VanDerWaalsContact C-N 3.31Å; L417-V420 HydrophobicContact CD2-CB 4.09Å; L417-V420 HydrophobicContact CD2-CG1 4.26Å; L417-V420 HydrophobicContact CD2-CG2 4.1Å; L417-V420 PolarHBondContact O-N 3.11Å; L417-N421 PolarHBondContact O-N 3.35Å; L417-L436 HydrophobicContact CG-CD2 4.27Å; L417-L447 HydrophobicContact CD2-CD2 4.18Å
418G96.9Very high97Very high0 Ų032 Ų320%017%0.169CC..Hα-helixtrans-63.4-38169.200000112.6N122 E124 D416 N421 M422N122-G418 WeakPolarHBondContact OD1-CA 3.46Å; E124-G418 VanDerWaalsContact CB-CA 3.42Å; D416-G418 PolarHBondContact O-N 3.25Å; D416-G418 PolarHBondContact OD1-N 2.69Å; G418-N421 PolarHBondContact O-N 3.5Å; G418-M422 WeakPolarHBondContact O-CG 3.44Å; G418-M422 PolarHBondContact O-N 3.29Å
419V97.7Very high97.3Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-71.7-39.5175.6-1750000110.5T388 L401 V405 I412 A414 D416 L417 N421 M422 C423T388-V419 HydrophobicContact CG2-CG1 4.02Å; T388-V419 HydrophobicContact CG2-CG2 4.42Å; L401-V419 HydrophobicContact CD1-CG2 4.02Å; L401-V419 HydrophobicContact CD2-CG2 4.07Å; L401-V419 HydrophobicContact CG-CG2 4.48Å; V405-V419 HydrophobicContact CG2-CG1 4.03Å; I412-V419 HydrophobicContact CG2-CG1 3.74Å; A414-V419 HydrophobicContact CB-CB 3.95Å; A414-V419 HydrophobicContact CB-CG1 3.75Å; D416-V419 WeakPolarHBondContact O-CB 3.28Å; D416-V419 PolarHBondContact O-N 2.85Å; L417-V419 VanDerWaalsContact C-N 3.31Å; V419-N421 VanDerWaalsContact C-N 3.32Å; V419-N421 PolarHBondContact O-N 3.39Å; V419-M422 PolarHBondContact O-N 3.35Å; V419-C423 PolarHBondContact O-N 2.81Å; V419-C423 PolarHBondContact O-SG 3.28Å; V419-C423 VanDerWaalsContact O-SG 3.41Å
420V98.4Very high97.5Very high0 Ų026.7 Ų26.70%013%0.131CC..Hα-helixtrans-55.7-46.6171.6174.20000111F128 A414 D416 L417 C423 A424 F430 L436 L447 Q450F128-V420 HydrophobicContact CE2-CG1 4.36Å; A414-V420 HydrophobicContact CB-CG2 3.75Å; D416-V420 PolarHBondContact O-N 3.45Å; L417-V420 HydrophobicContact CD2-CB 4.09Å; L417-V420 HydrophobicContact CD2-CG1 4.26Å; L417-V420 HydrophobicContact CD2-CG2 4.1Å; L417-V420 PolarHBondContact O-N 3.11Å; V420-C423 PolarHBondContact O-N 3.46Å; V420-A424 VanDerWaalsContact O-CB 3.29Å; V420-A424 WeakPolarHBondContact O-CB 3.41Å; V420-A424 PolarHBondContact O-N 2.86Å; V420-F430 HydrophobicContact CB-CZ 4.37Å; V420-F430 HydrophobicContact CG1-CE1 4.21Å; V420-F430 HydrophobicContact CG1-CE2 4.29Å; V420-F430 HydrophobicContact CG1-CZ 3.7Å; V420-F430 HydrophobicContact CG2-CD2 4.43Å; V420-F430 HydrophobicContact CG2-CE2 3.83Å; V420-F430 HydrophobicContact CG2-CZ 4.11Å; V420-L436 HydrophobicContact CG2-CD1 3.85Å; V420-L447 HydrophobicContact CG1-CD2 3.85Å; V420-L447 HydrophobicContact CG2-CD2 4.4Å; V420-Q450 HydrophobicContact CG1-CB 4.2Å; V420-Q450 HydrophobicContact CG1-CG 4.17Å
421N97.9Very high97.6Very high0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-61.8-46.9177.3-168.263.8000112.2E124 F128 R131 L417 G418 V419 C423 A424 E425E124-N421 HydrophobicContact CB-CB 4.44Å; E124-N421 PolarHBondContact OE2-ND2 3.36Å; F128-N421 HydrophobicContact CB-CB 4.15Å; F128-N421 HydrophobicContact CD2-CB 4.31Å; R131-N421 PolarHBondContact NH1-OD1 2.81Å; L417-N421 PolarHBondContact O-N 3.35Å; G418-N421 PolarHBondContact O-N 3.5Å; V419-N421 VanDerWaalsContact C-N 3.32Å; V419-N421 PolarHBondContact O-N 3.39Å; N421-C423 VanDerWaalsContact C-N 3.33Å; N421-C423 PolarHBondContact O-N 3.38Å; N421-A424 PolarHBondContact O-N 3.28Å; N421-E425 PolarHBondContact ND2-OE1 2.92Å; N421-E425 WeakPolarHBondContact O-CG 3.46Å; N421-E425 PolarHBondContact O-N 3.44Å
422M98Very high97.7Very high3 Ų324.8 Ų24.82%0.01512%0.121CC..Hα-helixtrans-58.4-42.5177.8-70.8-172.3-165.900112.5E124 L398 L401 K402 V405 G418 V419 R426E124-M422 HydrophobicContact CG-CE 3.76Å; E124-M422 HydrophobicContact CG-CG 4.26Å; L398-M422 HydrophobicContact CB-CE 4.07Å; L398-M422 HydrophobicContact CD2-CE 3.71Å; L398-M422 HydrophobicContact CG-CE 4.49Å; L401-M422 HydrophobicContact CB-CE 4.42Å; L401-M422 HydrophobicContact CB-SD 4.49Å; K402-M422 HydrophobicContact CB-CE 4.49Å; K402-M422 HydrophobicContact CB-SD 4.13Å; V405-M422 HydrophobicContact CB-CB 4.44Å; V405-M422 HydrophobicContact CG1-CB 4.1Å; V405-M422 HydrophobicContact CG2-CB 4.03Å; V405-M422 HydrophobicContact CG2-SD 4.2Å; G418-M422 WeakPolarHBondContact O-CG 3.44Å; G418-M422 PolarHBondContact O-N 3.29Å; V419-M422 PolarHBondContact O-N 3.35Å; M422-R426 VanDerWaalsContact O-CD 3.32Å; M422-R426 WeakPolarHBondContact O-CD 3.32Å; M422-R426 WeakPolarHBondContact O-CG 3.07Å; M422-R426 PolarHBondContact O-N 2.89Å; M422-R426 PolarHBondContact O-NH1 3.17Å
423C98.4Very high97.6Very high0 Ų024.6 Ų24.60%012%0.121CC..Hα-helixtrans-66.8-46.5176.5-69.60000111.7V419 V420 N421 E425 R426 K427 L428 F430V419-C423 PolarHBondContact O-N 2.81Å; V419-C423 PolarHBondContact O-SG 3.28Å; V419-C423 VanDerWaalsContact O-SG 3.41Å; V420-C423 PolarHBondContact O-N 3.46Å; N421-C423 VanDerWaalsContact C-N 3.33Å; N421-C423 PolarHBondContact O-N 3.38Å; C423-E425 PolarHBondContact O-N 2.93Å; C423-R426 CarbonylContact O-C 3.53Å; C423-R426 PolarHBondContact O-N 3.35Å; C423-R426 VanDerWaalsContact O-N 3.12Å; C423-K427 PolarHBondContact O-N 3.21Å; C423-L428 HydrophobicContact CB-CB 4.37Å; C423-L428 PolarHBondContact O-N 2.82Å; C423-F430 HydrophobicContact CB-CB 4.46Å; C423-F430 HydrophobicContact CB-CD1 3.88Å; C423-F430 HydrophobicContact CB-CG 4.45Å
424A97.9Very high97.5Very high19 Ų1925.4 Ų25.416%0.15712%0.124CC..Hα-helixtrans-59.1-45.8-178.900000112.6V420 N421 R426 K427 Q450V420-A424 VanDerWaalsContact O-CB 3.29Å; V420-A424 WeakPolarHBondContact O-CB 3.41Å; V420-A424 PolarHBondContact O-N 2.86Å; N421-A424 PolarHBondContact O-N 3.28Å; A424-R426 PolarHBondContact O-N 2.67Å; A424-K427 PolarHBondContact O-N 3.5Å; A424-Q450 HydrophobicContact CB-CB 3.91Å; A424-Q450 HydrophobicContact CB-CG 4.46Å
425E97Very high97.4Very high85 Ų8525.5 Ų25.540%0.39713%0.125SC..Hα-helixtrans-60.1-33.5176.7-73.7178.3178.200113R131 N421 C423R131-E425 IonicContact CZ-OE1 3.78Å; R131-E425 IonicContact NH1-OE1 2.75Å; R131-E425 PolarHBondContact NH1-OE1 3.23Å; R131-E425 IonicContact NH2-OE1 3.98Å; R131-E425 PolarHBondContact NH2-OE1 3.41Å; N421-E425 PolarHBondContact ND2-OE1 2.92Å; N421-E425 WeakPolarHBondContact O-CG 3.46Å; N421-E425 PolarHBondContact O-N 3.44Å; C423-E425 PolarHBondContact O-N 2.93Å
426R97.4Very high97.5Very high75 Ų7525.4 Ų25.428%0.28312%0.124SC..Hα-helixtrans-90.4-3.3178.4-67.5162.3-174.566.53.1112.7E406 M422 C423 A424 L428E406-R426 IonicContact OE1-CZ 2.71Å; E406-R426 VanDerWaalsContact OE1-CZ 3.27Å; E406-R426 IonicContact OE1-NE 3.25Å; E406-R426 PolarHBondContact OE1-NE 3.27Å; E406-R426 IonicContact OE1-NH2 2.76Å; E406-R426 PolarHBondContact OE1-NH2 3.4Å; M422-R426 VanDerWaalsContact O-CD 3.32Å; M422-R426 WeakPolarHBondContact O-CD 3.32Å; M422-R426 WeakPolarHBondContact O-CG 3.07Å; M422-R426 PolarHBondContact O-N 2.89Å; M422-R426 PolarHBondContact O-NH1 3.17Å; C423-R426 CarbonylContact O-C 3.53Å; C423-R426 PolarHBondContact O-N 3.35Å; C423-R426 VanDerWaalsContact O-N 3.12Å; A424-R426 PolarHBondContact O-N 2.67Å; R426-L428 HydrophobicContact CB-CD1 3.74Å; R426-L428 HydrophobicContact CB-CG 3.73Å; R426-L428 PolarHBondContact O-N 2.93Å
427K97.6Very high97.5Very high189 Ų18926.3 Ų26.382%0.82213%0.129SC*.THydrogen-bonded Turntrans55.934.7-174.2-51.8179-175.9178.30113C423 A424C423-K427 PolarHBondContact O-N 3.21Å; A424-K427 PolarHBondContact O-N 3.5Å
428L98.2Very high97.5Very high54 Ų5425.8 Ų25.828%0.28313%0.126SC..  trans-89.2137.7178.9-63.4172.7000110.2V405 C423 R426V405-L428 HydrophobicContact CG1-CD1 3.73Å; V405-L428 WeakPolarHBondContact O-CD1 3.32Å; C423-L428 HydrophobicContact CB-CB 4.37Å; C423-L428 PolarHBondContact O-N 2.82Å; R426-L428 HydrophobicContact CB-CD1 3.74Å; R426-L428 HydrophobicContact CB-CG 3.73Å; R426-L428 PolarHBondContact O-N 2.93Å
429P98.1Very high97.5Very high69 Ų6925.8 Ų25.845%0.44813%0.126SC..  trans-67.2152.1172.630.4-34.9000110.9L411 G451 M453L411-P429 HydrophobicContact CD1-CB 4.03Å; L411-P429 HydrophobicContact CD1-CG 4.08Å; L411-P429 WeakPolarHBondContact CD1-O 3.44Å; P429-G451 VanDerWaalsContact CA-O 3.28Å; P429-G451 WeakPolarHBondContact CA-O 3.48Å; P429-M453 HydrophobicContact CB-CG 4.22Å; P429-M453 HydrophobicContact CB-SD 3.97Å
430F98.6Very high97.6Very high0 Ų025.8 Ų25.80%013%0.126CC..EExtended strand (participates in β ladder)trans-146.9156.7175.665.3-89.1000113.2I412 A414 V420 C423 A432 Q450 G451 M452 M453I412-F430 CarbonylContact O-C 3.58Å; I412-F430 VanDerWaalsContact O-CA 3.23Å; I412-F430 WeakPolarHBondContact O-CA 3.27Å; I412-F430 WeakPolarHBondContact O-CB 3.33Å; A414-F430 HydrophobicContact CB-CB 4.4Å; A414-F430 HydrophobicContact CB-CD2 3.8Å; A414-F430 HydrophobicContact CB-CE2 4.45Å; A414-F430 HydrophobicContact CB-CG 4.3Å; V420-F430 HydrophobicContact CB-CZ 4.37Å; V420-F430 HydrophobicContact CG1-CE1 4.21Å; V420-F430 HydrophobicContact CG1-CE2 4.29Å; V420-F430 HydrophobicContact CG1-CZ 3.7Å; V420-F430 HydrophobicContact CG2-CD2 4.43Å; V420-F430 HydrophobicContact CG2-CE2 3.83Å; V420-F430 HydrophobicContact CG2-CZ 4.11Å; C423-F430 HydrophobicContact CB-CB 4.46Å; C423-F430 HydrophobicContact CB-CD1 3.88Å; C423-F430 HydrophobicContact CB-CG 4.45Å; F430-A432 HydrophobicContact CE2-CB 4.25Å; F430-Q450 HydrophobicContact CE1-CB 3.96Å; F430-Q450 HydrophobicContact CZ-CB 4.12Å; F430-G451 VanDerWaalsContact CE1-C 3.48Å; F430-G451 PolarHBondContact N-O 3.32Å; F430-G451 VanDerWaalsContact N-O 3.07Å; F430-M452 HydrophobicContact CD2-CB 4.41Å; F430-M452 HydrophobicContact CE1-CB 4.33Å; F430-M452 VanDerWaalsContact CE1-N 3.31Å; F430-M452 HydrophobicContact CE2-CB 3.73Å; F430-M452 HydrophobicContact CE2-CG 4.12Å; F430-M452 HydrophobicContact CZ-CB 3.67Å; F430-M452 WeakPolarHBondContact O-CA 3.2Å; F430-M453 PolarHBondContact O-N 2.8Å
431V98.5Very high97.6Very high0 Ų025.8 Ų25.80%013%0.126CC..EExtended strand (participates in β ladder)trans-85.1125.3161.7-175.30000108V385 L411 I412 E413 A414 G433 R454V385-V431 HydrophobicContact CG1-CG2 3.91Å; L411-V431 HydrophobicContact CD2-CG2 3.55Å; L411-V431 HydrophobicContact CG-CG2 4.05Å; I412-V431 PolarHBondContact O-N 3.23Å; E413-V431 CarbonylContact C-O 3.57Å; E413-V431 WeakPolarHBondContact CA-O 3.37Å; E413-V431 HydrophobicContact CB-CB 4.09Å; A414-V431 PolarHBondContact N-O 3.28Å; V431-G433 PolarHBondContact O-N 3.28Å; V431-R454 CarbonylContact C-O 3.21Å; V431-R454 WeakPolarHBondContact CA-O 3.33Å; V431-R454 HydrophobicContact CB-CB 4.32Å; V431-R454 HydrophobicContact CG1-CB 3.95Å; V431-R454 HydrophobicContact CG1-CG 3.88Å; V431-R454 HydrophobicContact CG2-CB 4.05Å
432A98.5Very high97.6Very high0 Ų026.6 Ų26.60%013%0.131CC..EExtended strand (participates in β ladder)trans-74.9106.5167.100000108.6F430 L436 L447 M452 R454 C456F430-A432 HydrophobicContact CE2-CB 4.25Å; A432-L436 HydrophobicContact CB-CD1 3.85Å; A432-L447 HydrophobicContact CB-CD1 4.19Å; A432-M452 HydrophobicContact CB-CG 3.75Å; A432-M452 HydrophobicContact CB-SD 3.59Å; A432-M452 VanDerWaalsContact CB-SD 3.59Å; A432-R454 PolarHBondContact N-O 2.84Å; A432-C456 PolarHBondContact O-N 2.79Å
433G96.8Very high97.6Very high0 Ų026.4 Ų26.40%013%0.13CC..  trans-72.6156-176.900000112.9E413 A414 V431 A435 L436E413-G433 WeakPolarHBondContact OE1-CA 3.48Å; A414-G433 PolarHBondContact O-N 3.14Å; V431-G433 PolarHBondContact O-N 3.28Å; G433-A435 PolarHBondContact O-N 3.04Å; G433-L436 WeakPolarHBondContact O-CB 3.49Å; G433-L436 PolarHBondContact O-N 2.89Å
434H95.6Very high97.7Very high20 Ų2026.4 Ų26.49%0.09313%0.13CC..THydrogen-bonded Turntrans-61.9-4.3-176.968.177.1000115.5C456 M457 V459 P493 Y496H434-C456 VanDerWaalsContact CA-O 3.29Å; H434-C456 WeakPolarHBondContact CA-O 3.45Å; H434-C456 HydrophobicContact CB-CB 4.38Å; H434-C456 PolarHBondContact N-O 3.16Å; H434-M457 VanDerWaalsContact CB-O 3.29Å; H434-M457 WeakPolarHBondContact CB-O 3.12Å; H434-V459 HydrophobicContact CB-CG1 4.48Å; H434-P493 WeakPolarHBondContact CE1-CG 3.35Å; H434-Y496 PolarHBondContact CE1-OH 2.85Å
435A95.1Very high97.7Very high2 Ų228.8 Ų28.82%0.01714%0.137CC..THydrogen-bonded Turntrans-86.5-13.717300000113R175 A390 S415 G433 Y496R175-A435 WeakPolarHBondContact CD-O 3.37Å; R175-A435 WeakPolarHBondContact CG-O 3.39Å; R175-A435 PolarHBondContact NE-O 3.44Å; R175-A435 VanDerWaalsContact NE-O 3.12Å; A390-A435 HydrophobicContact CB-CB 3.94Å; S415-A435 WeakPolarHBondContact O-CB 3.39Å; G433-A435 PolarHBondContact O-N 3.04Å; A435-Y496 HydrophobicContact CB-CE2 4.25Å
436L97.1Very high97.8Very high4 Ų424.9 Ų24.92%0.02112%0.119CC..SBendtrans-76.2140.2172.8-63.1-177.4000110.5A414 L417 V420 A432 G433 C438 L447 P458A414-L436 VanDerWaalsContact O-CD1 3.31Å; A414-L436 WeakPolarHBondContact O-CD1 3.46Å; A414-L436 WeakPolarHBondContact O-CG 3.26Å; L417-L436 HydrophobicContact CG-CD2 4.27Å; V420-L436 HydrophobicContact CG2-CD1 3.85Å; A432-L436 HydrophobicContact CB-CD1 3.85Å; G433-L436 WeakPolarHBondContact O-CB 3.49Å; G433-L436 PolarHBondContact O-N 2.89Å; L436-C438 PolarHBondContact O-N 3.03Å; L436-L447 HydrophobicContact CD1-CD1 4.42Å; L436-P458 WeakPolarHBondContact O-CG 3.02Å
437N96.1Very high97.8Very high18 Ų1821.3 Ų21.310%0.09611%0.106CC..  trans-77.869-176.5-63.9-29.9000111.6F68 Q117 Y439F68-N437 HydrophobicContact CD1-CB 4.23Å; F68-N437 HydrophobicContact CE1-CB 3.55Å; F68-N437 HydrophobicContact CE2-CB 4.33Å; F68-N437 HydrophobicContact CZ-CB 3.61Å; Q117-N437 PolarHBondContact O-ND2 3.38Å; N437-Y439 HydrophobicContact CB-CD2 4.46Å; N437-Y439 HydrophobicContact CB-CE2 4.13Å
438C97.5Very high97.9Very high3 Ų313.9 Ų13.92%0.028%0.075CC..  trans-108.1101-173.1-59.40000111.4L436 T443 L444 L447 W455 P458L436-C438 PolarHBondContact O-N 3.03Å; C438-T443 HydrophobicContact CB-CG2 4.31Å; C438-L444 HydrophobicContact CB-CD2 4.09Å; C438-L447 WeakPolarHBondContact SG-CD1 3.32Å; C438-W455 HydrophobicContact CB-CZ2 4.43Å; C438-W455 VanDerWaalsContact CB-NE1 3.33Å; C438-P458 WeakPolarHBondContact O-CD 3.45Å
439Y98Very high97.9Very high1 Ų117 Ų170%0.0049%0.086CC..  trans-118-9.8-170.3-72.9-95.9000114.5F68 N188 T189 N437 E460 L461 W465F68-Y439 HydrophobicContact CB-CD1 4.27Å; F68-Y439 HydrophobicContact CB-CD2 3.53Å; F68-Y439 HydrophobicContact CB-CE2 4.25Å; F68-Y439 HydrophobicContact CB-CG 3.55Å; F68-Y439 HydrophobicContact CD1-CD2 4.03Å; F68-Y439 HydrophobicContact CD1-CE2 4.39Å; F68-Y439 AromaticContact CD2-CD2 3.53Å; F68-Y439 HydrophobicContact CD2-CD2 3.53Å; F68-Y439 HydrophobicContact CD2-CE1 4.38Å; F68-Y439 AromaticContact CD2-CE2 3.33Å; F68-Y439 HydrophobicContact CD2-CE2 3.33Å; F68-Y439 HydrophobicContact CD2-CG 4.17Å; F68-Y439 AromaticContact CD2-CZ 3.81Å; F68-Y439 HydrophobicContact CE2-CD2 4.26Å; F68-Y439 AromaticContact CE2-CE2 3.7Å; F68-Y439 HydrophobicContact CE2-CE2 3.7Å; F68-Y439 AromaticContact CG-CD2 3.39Å; F68-Y439 HydrophobicContact CG-CD2 3.39Å; F68-Y439 AromaticContact CG-CE2 3.72Å; F68-Y439 HydrophobicContact CG-CE2 3.72Å; F68-Y439 AromaticContact CG-CG 3.97Å; F68-Y439 HydrophobicContact CG-CG 3.97Å; F68-Y439 HydrophobicContact CZ-CE2 4.38Å; N188-Y439 HydrophobicContact CB-CE1 4.36Å; N188-Y439 PolarHBondContact ND2-OH 2.93Å; T189-Y439 HydrophobicContact CG2-CD1 4.42Å; T189-Y439 HydrophobicContact CG2-CE1 4.03Å; N437-Y439 HydrophobicContact CB-CD2 4.46Å; N437-Y439 HydrophobicContact CB-CE2 4.13Å; Y439-E460 PolarHBondContact OH-OE1 3.23Å; Y439-L461 HydrophobicContact CD1-CD2 3.73Å; Y439-L461 HydrophobicContact CE1-CD2 3.77Å; Y439-W465 HydrophobicContact CD1-CH2 4.19Å; Y439-W465 AromaticContact CD1-CZ2 3.76Å; Y439-W465 HydrophobicContact CD1-CZ2 3.76Å; Y439-W465 HydrophobicContact CG-CZ2 4.42Å; Y439-W465 PolarHBondContact O-NE1 2.76Å
440N98.6Very high97.9Very high0 Ų015 Ų150%07%0.07CC..SBendtrans-152.1164-178.756.470.4000112.3A69 Y74 D96 A98 V442 T443 L444A69-N440 WeakPolarHBondContact O-CB 3.42Å; A69-N440 PolarHBondContact O-ND2 3.28Å; Y74-N440 HydrophobicContact CD2-CB 4.36Å; D96-N440 PolarHBondContact OD2-ND2 3.1Å; A98-N440 VanDerWaalsContact CB-OD1 3.31Å; A98-N440 WeakPolarHBondContact CB-OD1 3.41Å; N440-V442 VanDerWaalsContact C-N 3.3Å; N440-V442 PolarHBondContact O-N 3.48Å; N440-V442 PolarHBondContact OD1-N 2.85Å; N440-T443 PolarHBondContact O-N 2.99Å; N440-T443 PolarHBondContact OD1-N 2.95Å; N440-L444 PolarHBondContact O-N 3.48Å
441A98.5Very high97.9Very high0 Ų016.3 Ų16.30%08%0.084CC..Hα-helixtrans-70.2-22.1-174.500000114L444 K445 Q472 C473 L476 I478A441-L444 PolarHBondContact O-N 2.9Å; A441-K445 WeakPolarHBondContact O-CB 3.5Å; A441-K445 PolarHBondContact O-N 2.71Å; A441-Q472 HydrophobicContact CB-CB 3.71Å; A441-Q472 HydrophobicContact CB-CG 3.78Å; A441-C473 HydrophobicContact CB-CB 4.31Å; A441-C473 WeakPolarHBondContact CB-SG 3.38Å; A441-L476 HydrophobicContact CB-CD1 3.71Å; A441-I478 WeakPolarHBondContact O-CD1 3.31Å
442V98.5Very high97.9Very high16 Ų1616.5 Ų16.510%0.0979%0.085CC..Hα-helixtrans-70.8-43.1174.3178.80000110.1Y74 A98 N440 L444 K445 I446 L476Y74-V442 HydrophobicContact CE1-CG2 4.31Å; Y74-V442 HydrophobicContact CE2-CB 4.31Å; Y74-V442 HydrophobicContact CE2-CG2 4.11Å; A98-V442 HydrophobicContact CB-CB 3.67Å; A98-V442 HydrophobicContact CB-CG1 3.62Å; N440-V442 VanDerWaalsContact C-N 3.3Å; N440-V442 PolarHBondContact O-N 3.48Å; N440-V442 PolarHBondContact OD1-N 2.85Å; V442-L444 VanDerWaalsContact C-N 3.3Å; V442-L444 PolarHBondContact O-N 2.63Å; V442-K445 VanDerWaalsContact O-CB 3.31Å; V442-K445 WeakPolarHBondContact O-CB 3.33Å; V442-K445 PolarHBondContact O-N 3.4Å; V442-K445 VanDerWaalsContact O-N 3.12Å; V442-I446 HydrophobicContact CG1-CD1 4.43Å; V442-I446 WeakPolarHBondContact O-CG1 3.08Å; V442-I446 PolarHBondContact O-N 2.95Å; V442-L476 HydrophobicContact CG2-CD1 3.74Å
443T98.6Very high97.9Very high0 Ų019.4 Ų19.40%010%0.1CC..Hα-helixtrans-61.9-36.6171.4-79.30000112D96 L97 A98 C438 N440 I446 L447D96-T443 PolarHBondContact OD1-OG1 3.17Å; L97-T443 HydrophobicContact CB-CG2 4.33Å; L97-T443 HydrophobicContact CD1-CG2 4.27Å; L97-T443 HydrophobicContact CG-CG2 4.36Å; A98-T443 PolarHBondContact N-OG1 2.83Å; C438-T443 HydrophobicContact CB-CG2 4.31Å; N440-T443 PolarHBondContact O-N 2.99Å; N440-T443 PolarHBondContact OD1-N 2.95Å; T443-I446 PolarHBondContact O-N 2.67Å; T443-L447 WeakPolarHBondContact O-CG 3.36Å; T443-L447 PolarHBondContact O-N 2.89Å; T443-L447 VanDerWaalsContact O-N 3.12Å
444L98.7Very high97.9Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-67.6-37.4171-63.3-178000113C438 N440 A441 V442 I446 L447 L448 M452 W455 L469 I478 F482C438-L444 HydrophobicContact CB-CD2 4.09Å; N440-L444 PolarHBondContact O-N 3.48Å; A441-L444 PolarHBondContact O-N 2.9Å; V442-L444 VanDerWaalsContact C-N 3.3Å; V442-L444 PolarHBondContact O-N 2.63Å; L444-I446 VanDerWaalsContact C-N 3.29Å; L444-I446 PolarHBondContact O-N 2.97Å; L444-L447 PolarHBondContact O-N 3.46Å; L444-L448 VanDerWaalsContact O-CB 3.29Å; L444-L448 WeakPolarHBondContact O-CB 3.2Å; L444-L448 PolarHBondContact O-N 3.2Å; L444-M452 HydrophobicContact CB-CE 4.26Å; L444-M452 HydrophobicContact CD2-CE 4.16Å; L444-M452 HydrophobicContact CD2-SD 4.03Å; L444-W455 HydrophobicContact CD1-CD2 3.86Å; L444-W455 HydrophobicContact CD1-CE3 3.69Å; L444-W455 HydrophobicContact CD1-CG 4.39Å; L444-W455 HydrophobicContact CD1-CH2 4.5Å; L444-W455 HydrophobicContact CD1-CZ3 4.04Å; L444-W455 HydrophobicContact CD2-CB 4.11Å; L444-W455 HydrophobicContact CD2-CD2 3.72Å; L444-W455 HydrophobicContact CD2-CE3 4.41Å; L444-W455 HydrophobicContact CD2-CG 3.54Å; L444-W455 HydrophobicContact CG-CD2 4.45Å; L444-L469 HydrophobicContact CD1-CD1 4.26Å; L444-L469 HydrophobicContact CD1-CD2 3.74Å; L444-L469 HydrophobicContact CD1-CG 4.34Å; L444-I478 HydrophobicContact CB-CD1 4.5Å; L444-F482 HydrophobicContact CB-CZ 4.45Å; L444-F482 HydrophobicContact CD1-CE2 3.99Å; L444-F482 HydrophobicContact CD1-CZ 3.75Å
445K98.6Very high98.1Very high68 Ų6818.7 Ų18.730%0.29610%0.096SC..Hα-helixtrans-59.9-39.5172.7-165.5170.1-175.6163.40111.5A441 V442 K449 L476 I478A441-K445 WeakPolarHBondContact O-CB 3.5Å; A441-K445 PolarHBondContact O-N 2.71Å; V442-K445 VanDerWaalsContact O-CB 3.31Å; V442-K445 WeakPolarHBondContact O-CB 3.33Å; V442-K445 PolarHBondContact O-N 3.4Å; V442-K445 VanDerWaalsContact O-N 3.12Å; K445-K449 VanDerWaalsContact O-CG 3.32Å; K445-K449 WeakPolarHBondContact O-CG 3.34Å; K445-K449 PolarHBondContact O-N 3.17Å; K445-K449 VanDerWaalsContact O-N 3.1Å; K445-L476 HydrophobicContact CD-CB 4.39Å; K445-L476 HydrophobicContact CD-CD1 4.4Å; K445-L476 HydrophobicContact CD-CD2 4.34Å; K445-L476 PolarHBondContact NZ-O 3.11Å; K445-I478 HydrophobicContact CB-CD1 3.92Å; K445-I478 HydrophobicContact CG-CD1 4.48Å; K445-I478 HydrophobicContact CG-CG2 4.33Å
446I98.6Very high98.2Very high3 Ų318.6 Ų18.62%0.01510%0.095CC..Hα-helixtrans-64.5-44.1175.8-68.6165000111L97 E101 F128 F133 V442 T443 L444 K449 Q450L97-I446 HydrophobicContact CB-CD1 3.76Å; L97-I446 HydrophobicContact CB-CG2 4.44Å; L97-I446 HydrophobicContact CD1-CG2 4.13Å; L97-I446 WeakPolarHBondContact O-CD1 3.27Å; E101-I446 HydrophobicContact CB-CD1 3.79Å; E101-I446 HydrophobicContact CG-CD1 4.36Å; E101-I446 WeakPolarHBondContact OE1-CG1 3.25Å; F128-I446 HydrophobicContact CZ-CG2 4.39Å; F133-I446 HydrophobicContact CE1-CD1 4.3Å; F133-I446 HydrophobicContact CZ-CG2 4.24Å; V442-I446 HydrophobicContact CG1-CD1 4.43Å; V442-I446 WeakPolarHBondContact O-CG1 3.08Å; V442-I446 PolarHBondContact O-N 2.95Å; T443-I446 PolarHBondContact O-N 2.67Å; L444-I446 VanDerWaalsContact C-N 3.29Å; L444-I446 PolarHBondContact O-N 2.97Å; I446-K449 WeakPolarHBondContact O-CB 3.49Å; I446-K449 PolarHBondContact O-N 2.95Å; I446-Q450 WeakPolarHBondContact O-CG 3.3Å; I446-Q450 PolarHBondContact O-NE2 3.24Å
447L98.7Very high98.2Very high1 Ų118.6 Ų18.61%0.00510%0.095CC..Hα-helixtrans-71.3-34.5177.8-66.8178.6000113L97 L417 V420 A432 L436 C438 T443 L444 K449 Q450 G451 M452L97-L447 HydrophobicContact CD1-CD2 4.34Å; L417-L447 HydrophobicContact CD2-CD2 4.18Å; V420-L447 HydrophobicContact CG1-CD2 3.85Å; V420-L447 HydrophobicContact CG2-CD2 4.4Å; A432-L447 HydrophobicContact CB-CD1 4.19Å; L436-L447 HydrophobicContact CD1-CD1 4.42Å; C438-L447 WeakPolarHBondContact SG-CD1 3.32Å; T443-L447 WeakPolarHBondContact O-CG 3.36Å; T443-L447 PolarHBondContact O-N 2.89Å; T443-L447 VanDerWaalsContact O-N 3.12Å; L444-L447 PolarHBondContact O-N 3.46Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.11Å; L447-Q450 WeakPolarHBondContact O-CA 3.12Å; L447-Q450 VanDerWaalsContact O-CB 3.3Å; L447-Q450 WeakPolarHBondContact O-CB 3.37Å; L447-Q450 PolarHBondContact O-N 3.41Å; L447-G451 PolarHBondContact O-N 3Å; L447-M452 HydrophobicContact CB-CB 3.93Å; L447-M452 HydrophobicContact CB-CG 4.36Å; L447-M452 HydrophobicContact CB-SD 3.66Å; L447-M452 HydrophobicContact CD1-SD 4.14Å; L447-M452 VanDerWaalsContact O-CB 3.28Å; L447-M452 WeakPolarHBondContact O-CB 3.38Å; L447-M452 PolarHBondContact O-N 3.01Å; L447-M452 VanDerWaalsContact O-N 3.09Å
448L98.6Very high98.3Very high33 Ų3317.8 Ų17.817%0.1739%0.091CC..Hα-helixtrans-61.8-41172.8-176.862.9000111.2L444 Q450 G451 M452 I478 Q481L444-L448 VanDerWaalsContact O-CB 3.29Å; L444-L448 WeakPolarHBondContact O-CB 3.2Å; L444-L448 PolarHBondContact O-N 3.2Å; L448-Q450 PolarHBondContact O-N 2.8Å; L448-Q450 VanDerWaalsContact O-N 3.12Å; L448-G451 PolarHBondContact O-N 3.14Å; L448-G451 VanDerWaalsContact O-N 3.11Å; L448-M452 HydrophobicContact CB-CE 4.46Å; L448-M452 WeakPolarHBondContact CD1-O 3.36Å; L448-I478 HydrophobicContact CD2-CB 3.9Å; L448-I478 HydrophobicContact CD2-CG2 3.82Å; L448-Q481 HydrophobicContact CD1-CB 4.18Å; L448-Q481 HydrophobicContact CD2-CB 3.77Å; L448-Q481 HydrophobicContact CD2-CG 4.48Å
449K98.2Very high98.2Very high120 Ų12017.9 Ų17.952%0.5229%0.092SC..THydrogen-bonded Turntrans-57.4-22169.4-66167.9-167.4178.40113E101 K445 I446 L447E101-K449 IonicContact OE1-NZ 3.27Å; E101-K449 PolarHBondContact OE1-NZ 2.82Å; E101-K449 IonicContact OE2-NZ 2.89Å; K445-K449 VanDerWaalsContact O-CG 3.32Å; K445-K449 WeakPolarHBondContact O-CG 3.34Å; K445-K449 PolarHBondContact O-N 3.17Å; K445-K449 VanDerWaalsContact O-N 3.1Å; I446-K449 WeakPolarHBondContact O-CB 3.49Å; I446-K449 PolarHBondContact O-N 2.95Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.11Å
450Q98.3Very high98.2Very high25 Ų2518.7 Ų18.712%0.11710%0.095CC..THydrogen-bonded Turntrans-92.3-11.3179-52.6-35.6-60.700114.2F128 H132 V420 A424 F430 I446 L447 L448F128-Q450 HydrophobicContact CE2-CG 3.85Å; F128-Q450 HydrophobicContact CZ-CG 4.17Å; H132-Q450 PolarHBondContact CE1-OE1 2.74Å; V420-Q450 HydrophobicContact CG1-CB 4.2Å; V420-Q450 HydrophobicContact CG1-CG 4.17Å; A424-Q450 HydrophobicContact CB-CB 3.91Å; A424-Q450 HydrophobicContact CB-CG 4.46Å; F430-Q450 HydrophobicContact CE1-CB 3.96Å; F430-Q450 HydrophobicContact CZ-CB 4.12Å; I446-Q450 WeakPolarHBondContact O-CG 3.3Å; I446-Q450 PolarHBondContact O-NE2 3.24Å; L447-Q450 WeakPolarHBondContact O-CA 3.12Å; L447-Q450 VanDerWaalsContact O-CB 3.3Å; L447-Q450 WeakPolarHBondContact O-CB 3.37Å; L447-Q450 PolarHBondContact O-N 3.41Å; L448-Q450 PolarHBondContact O-N 2.8Å; L448-Q450 VanDerWaalsContact O-N 3.12Å
451G98.4Very high98.2Very high29 Ų2918.8 Ų18.830%0.29910%0.096SC..THydrogen-bonded Turntrans107.514.8-173.900000115.7P429 F430 L447 L448 M453P429-G451 VanDerWaalsContact CA-O 3.28Å; P429-G451 WeakPolarHBondContact CA-O 3.48Å; F430-G451 VanDerWaalsContact CE1-C 3.48Å; F430-G451 PolarHBondContact N-O 3.32Å; F430-G451 VanDerWaalsContact N-O 3.07Å; L447-G451 PolarHBondContact O-N 3Å; L448-G451 PolarHBondContact O-N 3.14Å; L448-G451 VanDerWaalsContact O-N 3.11Å; G451-M453 PolarHBondContact O-N 3Å
452M98.7Very high98.2Very high3 Ų319.3 Ų19.32%0.01510%0.1CC..EExtended strand (participates in β ladder)trans-61.6121.9169.9-176.8-168.479.200110.3F430 A432 L444 L447 L448 R454 W455 F482F430-M452 HydrophobicContact CD2-CB 4.41Å; F430-M452 HydrophobicContact CE1-CB 4.33Å; F430-M452 VanDerWaalsContact CE1-N 3.31Å; F430-M452 HydrophobicContact CE2-CB 3.73Å; F430-M452 HydrophobicContact CE2-CG 4.12Å; F430-M452 HydrophobicContact CZ-CB 3.67Å; F430-M452 WeakPolarHBondContact O-CA 3.2Å; A432-M452 HydrophobicContact CB-CG 3.75Å; A432-M452 HydrophobicContact CB-SD 3.59Å; A432-M452 VanDerWaalsContact CB-SD 3.59Å; L444-M452 HydrophobicContact CB-CE 4.26Å; L444-M452 HydrophobicContact CD2-CE 4.16Å; L444-M452 HydrophobicContact CD2-SD 4.03Å; L447-M452 HydrophobicContact CB-CB 3.93Å; L447-M452 HydrophobicContact CB-CG 4.36Å; L447-M452 HydrophobicContact CB-SD 3.66Å; L447-M452 HydrophobicContact CD1-SD 4.14Å; L447-M452 VanDerWaalsContact O-CB 3.28Å; L447-M452 WeakPolarHBondContact O-CB 3.38Å; L447-M452 PolarHBondContact O-N 3.01Å; L447-M452 VanDerWaalsContact O-N 3.09Å; L448-M452 HydrophobicContact CB-CE 4.46Å; L448-M452 WeakPolarHBondContact CD1-O 3.36Å; M452-R454 VanDerWaalsContact CG-O 3.3Å; M452-R454 WeakPolarHBondContact CG-O 3.42Å; M452-W455 HydrophobicContact CE-CB 4.29Å; M452-W455 HydrophobicContact SD-CB 3.96Å; M452-F482 HydrophobicContact CE-CB 4.02Å; M452-F482 HydrophobicContact CE-CD1 4.01Å; M452-F482 HydrophobicContact CE-CD2 3.88Å; M452-F482 HydrophobicContact CE-CE1 4.49Å; M452-F482 HydrophobicContact CE-CE2 4.38Å; M452-F482 HydrophobicContact CE-CG 3.69Å
453M98.2Very high98.1Very high62 Ų6222.5 Ų22.531%0.30511%0.11SC..EExtended strand (participates in β ladder)trans-107.2-19.3175.865.6166.9-74.900113.9L411 P429 F430 G451 F482 E483L411-M453 HydrophobicContact CD1-CG 4.14Å; L411-M453 HydrophobicContact CD1-SD 3.56Å; L411-M453 VanDerWaalsContact CD1-SD 3.56Å; L411-M453 HydrophobicContact CD2-CE 4.2Å; L411-M453 HydrophobicContact CD2-CG 4.31Å; L411-M453 HydrophobicContact CD2-SD 3.63Å; L411-M453 HydrophobicContact CG-SD 4.27Å; P429-M453 HydrophobicContact CB-CG 4.22Å; P429-M453 HydrophobicContact CB-SD 3.97Å; F430-M453 PolarHBondContact O-N 2.8Å; G451-M453 PolarHBondContact O-N 3Å; M453-F482 CarbonylContact O-C 3.58Å; M453-F482 VanDerWaalsContact O-CA 3.24Å; M453-F482 WeakPolarHBondContact O-CA 3.44Å; M453-F482 WeakPolarHBondContact O-CB 3.3Å; M453-E483 PolarHBondContact O-N 2.66Å
454R98.4Very high98.1Very high3 Ų325.5 Ų25.51%0.01113%0.126CC..EExtended strand (participates in β ladder)trans-141.7148.5175.2178.7-177.8-60.9162.1-0.3109.4Y353 V431 A432 M452 E483 E485Y353-R454 PolarHBondContact OH-NH1 2.89Å; Y353-R454 VanDerWaalsContact OH-NH1 3.07Å; V431-R454 CarbonylContact C-O 3.21Å; V431-R454 WeakPolarHBondContact CA-O 3.33Å; V431-R454 HydrophobicContact CB-CB 4.32Å; V431-R454 HydrophobicContact CG1-CB 3.95Å; V431-R454 HydrophobicContact CG1-CG 3.88Å; V431-R454 HydrophobicContact CG2-CB 4.05Å; A432-R454 PolarHBondContact N-O 2.84Å; M452-R454 VanDerWaalsContact CG-O 3.3Å; M452-R454 WeakPolarHBondContact CG-O 3.42Å; R454-E483 CarbonylContact C-O 3.45Å; R454-E483 VanDerWaalsContact CA-O 3.26Å; R454-E483 WeakPolarHBondContact CA-O 3.13Å; R454-E483 HydrophobicContact CB-CB 4.03Å; R454-E483 HydrophobicContact CG-CB 3.92Å; R454-E483 IonicContact CZ-OE2 3.44Å; R454-E483 IonicContact NE-OE2 3.67Å; R454-E483 PolarHBondContact NE-OE2 3.2Å; R454-E483 IonicContact NH2-OE1 2.74Å; R454-E483 IonicContact NH2-OE2 3.13Å; R454-E483 PolarHBondContact NH2-OE2 2.97Å; R454-E485 VanDerWaalsContact CD-OE2 3.24Å; R454-E485 WeakPolarHBondContact CD-OE2 3.4Å; R454-E485 HydrophobicContact CG-CB 4.03Å
455W98.6Very high98.1Very high1 Ų127.1 Ų27.10%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-126.3114.5173.9168.655.5000110.7C438 L444 M452 M457 L461 L466 L469 F482 E483 E485C438-W455 HydrophobicContact CB-CZ2 4.43Å; C438-W455 VanDerWaalsContact CB-NE1 3.33Å; L444-W455 HydrophobicContact CD1-CD2 3.86Å; L444-W455 HydrophobicContact CD1-CE3 3.69Å; L444-W455 HydrophobicContact CD1-CG 4.39Å; L444-W455 HydrophobicContact CD1-CH2 4.5Å; L444-W455 HydrophobicContact CD1-CZ3 4.04Å; L444-W455 HydrophobicContact CD2-CB 4.11Å; L444-W455 HydrophobicContact CD2-CD2 3.72Å; L444-W455 HydrophobicContact CD2-CE3 4.41Å; L444-W455 HydrophobicContact CD2-CG 3.54Å; L444-W455 HydrophobicContact CG-CD2 4.45Å; M452-W455 HydrophobicContact CE-CB 4.29Å; M452-W455 HydrophobicContact SD-CB 3.96Å; W455-M457 HydrophobicContact CH2-CB 3.56Å; W455-M457 HydrophobicContact CZ2-CB 3.49Å; W455-M457 VanDerWaalsContact CZ2-CB 3.49Å; W455-M457 HydrophobicContact CZ3-CB 4.11Å; W455-L461 HydrophobicContact CH2-CD1 4.42Å; W455-L461 HydrophobicContact CZ2-CD1 4.26Å; W455-L466 HydrophobicContact CH2-CD1 4.23Å; W455-L466 HydrophobicContact CZ3-CD1 3.72Å; W455-L469 HydrophobicContact CE3-CD2 4.43Å; W455-L469 HydrophobicContact CH2-CD1 3.53Å; W455-L469 HydrophobicContact CH2-CD2 3.91Å; W455-L469 HydrophobicContact CH2-CG 4.39Å; W455-L469 HydrophobicContact CZ2-CD1 4.12Å; W455-L469 HydrophobicContact CZ3-CD1 4.09Å; W455-L469 HydrophobicContact CZ3-CD2 3.58Å; W455-F482 HydrophobicContact CB-CD2 4.17Å; W455-F482 HydrophobicContact CB-CE2 4.28Å; W455-F482 HydrophobicContact CE3-CE2 4.36Å; W455-E483 PolarHBondContact N-O 3.11Å; W455-E485 PolarHBondContact O-N 3.15Å
456C97.3Very high98.1Very high0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-84.6117.8168.4-171.20000108.9A432 H434 E485A432-C456 PolarHBondContact O-N 2.79Å; H434-C456 VanDerWaalsContact CA-O 3.29Å; H434-C456 WeakPolarHBondContact CA-O 3.45Å; H434-C456 HydrophobicContact CB-CB 4.38Å; H434-C456 PolarHBondContact N-O 3.16Å; C456-E485 CarbonylContact C-O 3.56Å; C456-E485 WeakPolarHBondContact CA-O 3.28Å; C456-E485 HydrophobicContact CB-CB 4.07Å; C456-E485 HydrophobicContact CB-CG 4.09Å
457M96.9Very high98.1Very high5 Ų525.7 Ų25.73%0.02513%0.129CC..PPolyproline II helixtrans-69.6144.4-172.480.5174.2-154.700112.8H434 W455 V459 L461 L466 E485 V486 W602H434-M457 VanDerWaalsContact CB-O 3.29Å; H434-M457 WeakPolarHBondContact CB-O 3.12Å; W455-M457 HydrophobicContact CH2-CB 3.56Å; W455-M457 HydrophobicContact CZ2-CB 3.49Å; W455-M457 VanDerWaalsContact CZ2-CB 3.49Å; W455-M457 HydrophobicContact CZ3-CB 4.11Å; M457-V459 PolarHBondContact O-N 2.98Å; M457-L461 HydrophobicContact CE-CB 4.12Å; M457-L461 WeakPolarHBondContact CE-O 3.49Å; M457-L461 HydrophobicContact SD-CB 4.24Å; M457-L466 HydrophobicContact SD-CB 4.47Å; M457-L466 HydrophobicContact SD-CD2 4.44Å; M457-E485 PolarHBondContact N-O 3.2Å; M457-V486 HydrophobicContact CE-CG1 4.09Å; M457-V486 HydrophobicContact CE-CG2 4.41Å; M457-V486 HydrophobicContact CG-CG2 4.14Å; M457-V486 HydrophobicContact SD-CG2 3.92Å; M457-W602 HydrophobicContact CE-CE3 4.23Å; M457-W602 HydrophobicContact CE-CZ3 4.2Å
458P97.8Very high98Very high0 Ų028.4 Ų28.40%014%0.144CC..PPolyproline II helixtrans-55.6136.9170.6-26.935.8000112.1L436 C438 E460 L461L436-P458 WeakPolarHBondContact O-CG 3.02Å; C438-P458 WeakPolarHBondContact O-CD 3.45Å; P458-E460 PolarHBondContact O-N 2.97Å; P458-E460 VanDerWaalsContact O-N 3.09Å; P458-L461 HydrophobicContact CB-CD1 4.41Å; P458-L461 HydrophobicContact CB-CG 4.27Å; P458-L461 HydrophobicContact CG-CD1 4.35Å; P458-L461 WeakPolarHBondContact O-CB 3.42Å; P458-L461 WeakPolarHBondContact O-CG 3.46Å; P458-L461 PolarHBondContact O-N 3.45Å; P458-L461 VanDerWaalsContact O-N 3.13Å
459V96.9Very high98Very high6 Ų626.9 Ų26.94%0.03614%0.136CC..THydrogen-bonded Turntrans-69.5-13.3-165.1-58.80000115.1Y177 H434 M457 L461 L487 L492 P493 Y601Y177-V459 HydrophobicContact CD2-CG2 3.53Å; Y177-V459 HydrophobicContact CE2-CG2 3.84Å; Y177-V459 HydrophobicContact CG-CG2 4.49Å; H434-V459 HydrophobicContact CB-CG1 4.48Å; M457-V459 PolarHBondContact O-N 2.98Å; V459-L461 VanDerWaalsContact C-N 3.34Å; V459-L487 HydrophobicContact CG1-CB 4.37Å; V459-L487 HydrophobicContact CG1-CD2 3.92Å; V459-L492 HydrophobicContact CB-CD1 4.43Å; V459-L492 HydrophobicContact CB-CD2 4.07Å; V459-L492 HydrophobicContact CG1-CD2 4.11Å; V459-L492 HydrophobicContact CG2-CB 4.4Å; V459-P493 HydrophobicContact CG1-CG 4.24Å; V459-Y601 WeakPolarHBondContact O-CD2 3.33Å; V459-Y601 WeakPolarHBondContact O-CE2 3.49Å
460E97.5Very high98.1Very high17 Ų1721.3 Ų21.38%0.07911%0.112CC..THydrogen-bonded Turntrans-85.7-1.2175.571.5173.3162.700114.6Y177 S180 S186 N188 Y439 P458 Y601Y177-E460 HydrophobicContact CD1-CB 4.08Å; Y177-E460 HydrophobicContact CD1-CG 3.69Å; Y177-E460 VanDerWaalsContact CD1-OE1 3.29Å; Y177-E460 WeakPolarHBondContact CD1-OE1 3.4Å; Y177-E460 HydrophobicContact CE1-CG 4.04Å; Y177-E460 WeakPolarHBondContact CE1-OE1 3.2Å; Y177-E460 HydrophobicContact CG-CB 4.09Å; Y177-E460 HydrophobicContact CG-CG 4.21Å; S180-E460 WeakPolarHBondContact CB-OE2 3.43Å; S180-E460 WeakPolarHBondContact OG-CB 3.34Å; S180-E460 PolarHBondContact OG-OE2 2.95Å; S186-E460 WeakPolarHBondContact CB-OE2 3.29Å; S186-E460 PolarHBondContact OG-OE1 3.44Å; S186-E460 PolarHBondContact OG-OE2 3.11Å; N188-E460 WeakPolarHBondContact CB-OE1 3.07Å; N188-E460 PolarHBondContact ND2-OE1 2.89Å; Y439-E460 PolarHBondContact OH-OE1 3.23Å; P458-E460 PolarHBondContact O-N 2.97Å; P458-E460 VanDerWaalsContact O-N 3.09Å; E460-Y601 HydrophobicContact CB-CD1 4.31Å; E460-Y601 HydrophobicContact CB-CE1 3.69Å
461L97.9Very high98.1Very high2 Ų224.1 Ų24.11%0.0113%0.127CC..  trans-83.7145.3-179.2-57-171.5000111.8Y439 W455 M457 P458 V459 W465Y439-L461 HydrophobicContact CD1-CD2 3.73Å; Y439-L461 HydrophobicContact CE1-CD2 3.77Å; W455-L461 HydrophobicContact CH2-CD1 4.42Å; W455-L461 HydrophobicContact CZ2-CD1 4.26Å; M457-L461 HydrophobicContact CE-CB 4.12Å; M457-L461 WeakPolarHBondContact CE-O 3.49Å; M457-L461 HydrophobicContact SD-CB 4.24Å; P458-L461 HydrophobicContact CB-CD1 4.41Å; P458-L461 HydrophobicContact CB-CG 4.27Å; P458-L461 HydrophobicContact CG-CD1 4.35Å; P458-L461 WeakPolarHBondContact O-CB 3.42Å; P458-L461 WeakPolarHBondContact O-CG 3.46Å; P458-L461 PolarHBondContact O-N 3.45Å; P458-L461 VanDerWaalsContact O-N 3.13Å; V459-L461 VanDerWaalsContact C-N 3.34Å; L461-W465 HydrophobicContact CB-CB 4.33Å; L461-W465 HydrophobicContact CB-CG 4.34Å; L461-W465 HydrophobicContact CD1-CG 4.42Å; L461-W465 HydrophobicContact CD2-CD2 3.75Å; L461-W465 HydrophobicContact CD2-CE3 4.19Å; L461-W465 HydrophobicContact CD2-CG 3.97Å; L461-W465 HydrophobicContact CD2-CZ2 4.29Å; L461-W465 HydrophobicContact CG-CG 4.47Å
462S97.9Very high98Very high12 Ų1223.4 Ų23.48%0.08412%0.116CC..  trans-95.9167.6178.368.60000112.7D464 W465 L466 Y601S462-D464 VanDerWaalsContact C-N 3.25Å; S462-D464 PolarHBondContact O-N 2.81Å; S462-W465 WeakPolarHBondContact O-CB 3.4Å; S462-W465 PolarHBondContact O-N 3.31Å; S462-W465 PolarHBondContact OG-N 3.31Å; S462-L466 PolarHBondContact O-N 2.91Å; S462-Y601 WeakPolarHBondContact CA-O 3.41Å; S462-Y601 WeakPolarHBondContact CB-O 3.46Å
463R97.9Very high98Very high82 Ų8223.3 Ų23.331%0.30912%0.116SC..Hα-helixtrans-56.8-41.1171.3-171.7179.6176.5-86.7-1.7112W465 L466 V467 S556 L560 W602R463-W465 VanDerWaalsContact C-N 3.31Å; R463-W465 PolarHBondContact O-N 2.72Å; R463-L466 PolarHBondContact O-N 3.11Å; R463-V467 WeakPolarHBondContact O-CG2 3.46Å; R463-V467 PolarHBondContact O-N 3.4Å; R463-S556 PolarHBondContact NE-O 3.26Å; R463-S556 PolarHBondContact NH2-O 3.18Å; R463-L560 HydrophobicContact CG-CD1 4.28Å; R463-W602 HydrophobicContact CB-CD2 3.81Å; R463-W602 HydrophobicContact CB-CE3 4.16Å; R463-W602 HydrophobicContact CB-CG 4.28Å; R463-W602 HydrophobicContact CB-CH2 4.24Å; R463-W602 HydrophobicContact CB-CZ2 3.91Å; R463-W602 HydrophobicContact CB-CZ3 4.36Å; R463-W602 WeakPolarHBondContact CB-O 3.32Å; R463-W602 HydrophobicContact CG-CD2 4.44Å; R463-W602 HydrophobicContact CG-CH2 4.04Å; R463-W602 HydrophobicContact CG-CZ2 3.6Å; R463-W602 PolarHBondContact N-O 3.41Å; R463-W602 VanDerWaalsContact N-O 3.09Å
464D97.8Very high98Very high64 Ų6424.6 Ų24.634%0.34212%0.124SC..Hα-helixtrans-59.7-41.2174.9-74.1-0.2000111.7S462 V467 N468 R604S462-D464 VanDerWaalsContact C-N 3.25Å; S462-D464 PolarHBondContact O-N 2.81Å; D464-V467 PolarHBondContact O-N 3.35Å; D464-N468 PolarHBondContact O-N 3.21Å; D464-N468 VanDerWaalsContact O-N 3.1Å; D464-N468 PolarHBondContact O-ND2 2.96Å; D464-R604 VanDerWaalsContact OD2-CD 3.29Å; D464-R604 WeakPolarHBondContact OD2-CD 3.19Å; D464-R604 IonicContact OD2-CZ 3.82Å; D464-R604 IonicContact OD2-NE 2.69Å; D464-R604 IonicContact OD2-NH1 2.82Å; D464-R604 PolarHBondContact OD2-NH1 2.68Å
465W98.1Very high98Very high33 Ų3332.4 Ų32.413%0.12516%0.161CC..Hα-helixtrans-64-46.4177.4-164.8-63.7000110.8H70 P71 T189 Y439 L461 S462 R463 V467 N468 L469H70-W465 HydrophobicContact CB-CH2 4.14Å; H70-W465 HydrophobicContact CB-CZ2 4.28Å; H70-W465 AromaticContact CD2-CH2 3.27Å; H70-W465 WeakPolarHBondContact CD2-CH2 3.28Å; H70-W465 AromaticContact CD2-CZ2 3.96Å; H70-W465 AromaticContact CE1-CH2 3.96Å; H70-W465 AromaticContact CG-CH2 3.54Å; H70-W465 AromaticContact ND1-CH2 3.96Å; H70-W465 AromaticContact NE2-CH2 3.55Å; P71-W465 VanDerWaalsContact CD-CE2 3.45Å; P71-W465 HydrophobicContact CG-CG 4.38Å; T189-W465 HydrophobicContact CG2-CH2 3.73Å; T189-W465 HydrophobicContact CG2-CZ3 3.84Å; Y439-W465 HydrophobicContact CD1-CH2 4.19Å; Y439-W465 AromaticContact CD1-CZ2 3.76Å; Y439-W465 HydrophobicContact CD1-CZ2 3.76Å; Y439-W465 HydrophobicContact CG-CZ2 4.42Å; Y439-W465 PolarHBondContact O-NE1 2.76Å; L461-W465 HydrophobicContact CB-CB 4.33Å; L461-W465 HydrophobicContact CB-CG 4.34Å; L461-W465 HydrophobicContact CD1-CG 4.42Å; L461-W465 HydrophobicContact CD2-CD2 3.75Å; L461-W465 HydrophobicContact CD2-CE3 4.19Å; L461-W465 HydrophobicContact CD2-CG 3.97Å; L461-W465 HydrophobicContact CD2-CZ2 4.29Å; L461-W465 HydrophobicContact CG-CG 4.47Å; S462-W465 WeakPolarHBondContact O-CB 3.4Å; S462-W465 PolarHBondContact O-N 3.31Å; S462-W465 PolarHBondContact OG-N 3.31Å; R463-W465 VanDerWaalsContact C-N 3.31Å; R463-W465 PolarHBondContact O-N 2.72Å; W465-V467 PolarHBondContact O-N 3.5Å; W465-N468 PolarHBondContact O-N 3.18Å; W465-L469 VanDerWaalsContact O-CB 3.31Å; W465-L469 WeakPolarHBondContact O-CB 3.47Å; W465-L469 PolarHBondContact O-N 2.87Å
466L98.4Very high98Very high1 Ų134.8 Ų34.81%0.00517%0.173CC..Hα-helixtrans-58-49176.9-179.661.2000111.2W455 M457 S462 R463 N468 L469 L470 V484 L560 V561 W602W455-L466 HydrophobicContact CH2-CD1 4.23Å; W455-L466 HydrophobicContact CZ3-CD1 3.72Å; M457-L466 HydrophobicContact SD-CB 4.47Å; M457-L466 HydrophobicContact SD-CD2 4.44Å; S462-L466 PolarHBondContact O-N 2.91Å; R463-L466 PolarHBondContact O-N 3.11Å; L466-N468 PolarHBondContact O-N 3.05Å; L466-L469 HydrophobicContact CD1-CD2 4.48Å; L466-L469 PolarHBondContact O-N 2.98Å; L466-L470 HydrophobicContact CD1-CD1 3.81Å; L466-L470 HydrophobicContact CD1-CD2 4.27Å; L466-L470 HydrophobicContact CD1-CG 3.87Å; L466-L470 HydrophobicContact CD2-CD1 4.5Å; L466-L470 HydrophobicContact CG-CD1 3.82Å; L466-L470 HydrophobicContact CG-CG 4.25Å; L466-L470 WeakPolarHBondContact O-CB 3.46Å; L466-L470 VanDerWaalsContact O-CG 3.27Å; L466-L470 WeakPolarHBondContact O-CG 3.33Å; L466-L470 PolarHBondContact O-N 3.39Å; L466-V484 HydrophobicContact CD1-CG1 3.9Å; L466-V484 HydrophobicContact CD2-CG1 4.26Å; L466-L560 HydrophobicContact CD2-CB 4.15Å; L466-V561 HydrophobicContact CD2-CG2 3.84Å; L466-W602 HydrophobicContact CD2-CH2 4.24Å; L466-W602 HydrophobicContact CD2-CZ3 4.34Å
467V98.5Very high98.1Very high41 Ų4137.1 Ų37.125%0.24820%0.198CC..Hα-helixtrans-56.6-48.1177.6170.30000111.8R463 D464 W465 L469 L470 N471 L560R463-V467 WeakPolarHBondContact O-CG2 3.46Å; R463-V467 PolarHBondContact O-N 3.4Å; D464-V467 PolarHBondContact O-N 3.35Å; W465-V467 PolarHBondContact O-N 3.5Å; V467-L469 PolarHBondContact O-N 3.49Å; V467-L470 PolarHBondContact O-N 3.41Å; V467-N471 PolarHBondContact O-N 3.25Å; V467-N471 PolarHBondContact O-ND2 2.92Å; V467-N471 PolarHBondContact O-OD1 3.35Å; V467-L560 HydrophobicContact CG2-CD1 3.64Å; V467-L560 HydrophobicContact CG2-CD2 3.94Å; V467-L560 HydrophobicContact CG2-CG 4.47Å
468N98.5Very high98.1Very high58 Ų5837.2 Ų37.231%0.3120%0.198SC..Hα-helixtrans-65.7-38.2179.5-75.3-72.4000112.4P71 D72 D464 W465 L466 Q472P71-N468 HydrophobicContact CB-CB 4Å; P71-N468 HydrophobicContact CG-CB 3.76Å; D72-N468 HydrophobicContact CB-CB 4.39Å; D464-N468 PolarHBondContact O-N 3.21Å; D464-N468 VanDerWaalsContact O-N 3.1Å; D464-N468 PolarHBondContact O-ND2 2.96Å; W465-N468 PolarHBondContact O-N 3.18Å; L466-N468 PolarHBondContact O-N 3.05Å; N468-Q472 PolarHBondContact O-N 2.81Å; N468-Q472 VanDerWaalsContact O-N 3.1Å
469L98.5Very high98.1Very high0 Ų038.3 Ų38.30%020%0.202CC..Hα-helixtrans-66.2-39.1175.2172.5155.7000111.7P71 L444 W455 W465 L466 V467 Q472 C473P71-L469 HydrophobicContact CB-CB 4.11Å; P71-L469 HydrophobicContact CG-CB 4.13Å; L444-L469 HydrophobicContact CD1-CD1 4.26Å; L444-L469 HydrophobicContact CD1-CD2 3.74Å; L444-L469 HydrophobicContact CD1-CG 4.34Å; W455-L469 HydrophobicContact CE3-CD2 4.43Å; W455-L469 HydrophobicContact CH2-CD1 3.53Å; W455-L469 HydrophobicContact CH2-CD2 3.91Å; W455-L469 HydrophobicContact CH2-CG 4.39Å; W455-L469 HydrophobicContact CZ2-CD1 4.12Å; W455-L469 HydrophobicContact CZ3-CD1 4.09Å; W455-L469 HydrophobicContact CZ3-CD2 3.58Å; W465-L469 VanDerWaalsContact O-CB 3.31Å; W465-L469 WeakPolarHBondContact O-CB 3.47Å; W465-L469 PolarHBondContact O-N 2.87Å; L466-L469 HydrophobicContact CD1-CD2 4.48Å; L466-L469 PolarHBondContact O-N 2.98Å; V467-L469 PolarHBondContact O-N 3.49Å; L469-Q472 CarbonylContact O-C 3.14Å; L469-Q472 WeakPolarHBondContact O-CB 3.37Å; L469-Q472 PolarHBondContact O-N 3Å; L469-C473 PolarHBondContact O-N 3.05Å; L469-C473 PolarHBondContact O-SG 2.71Å
470L98.5Very high98.1Very high4 Ų445 Ų452%0.02124%0.238CC..Hα-helixtrans-71.8-37178.5-66.5178.1000112.1L466 V467 Q472 C473 D474 V484 L560L466-L470 HydrophobicContact CD1-CD1 3.81Å; L466-L470 HydrophobicContact CD1-CD2 4.27Å; L466-L470 HydrophobicContact CD1-CG 3.87Å; L466-L470 HydrophobicContact CD2-CD1 4.5Å; L466-L470 HydrophobicContact CG-CD1 3.82Å; L466-L470 HydrophobicContact CG-CG 4.25Å; L466-L470 WeakPolarHBondContact O-CB 3.46Å; L466-L470 VanDerWaalsContact O-CG 3.27Å; L466-L470 WeakPolarHBondContact O-CG 3.33Å; L466-L470 PolarHBondContact O-N 3.39Å; V467-L470 PolarHBondContact O-N 3.41Å; L470-Q472 VanDerWaalsContact C-N 3.28Å; L470-Q472 PolarHBondContact O-N 3.22Å; L470-C473 CarbonylContact O-C 3.23Å; L470-C473 WeakPolarHBondContact O-CA 3.27Å; L470-C473 VanDerWaalsContact O-CB 3.25Å; L470-C473 WeakPolarHBondContact O-CB 3.26Å; L470-C473 PolarHBondContact O-N 3.1Å; L470-D474 PolarHBondContact O-N 2.66Å; L470-V484 HydrophobicContact CD2-CG2 3.78Å; L470-L560 HydrophobicContact CD1-CB 4.2Å; L470-L560 HydrophobicContact CD1-CD2 4.06Å; L470-L560 WeakPolarHBondContact CD1-O 3.11Å
471N98.4Very high98.1Very high83 Ų8349.6 Ų49.644%0.44426%0.259SS..Hα-helixtrans-57.4-43.2168.2-64.7-19.9000111.1V467 C473 D474 E475V467-N471 PolarHBondContact O-N 3.25Å; V467-N471 PolarHBondContact O-ND2 2.92Å; V467-N471 PolarHBondContact O-OD1 3.35Å; N471-C473 VanDerWaalsContact C-N 3.28Å; N471-C473 PolarHBondContact O-N 3.37Å; N471-D474 PolarHBondContact O-N 3.1Å; N471-D474 VanDerWaalsContact O-N 3.16Å; N471-E475 PolarHBondContact O-N 3.4Å
472Q98.3Very high98.1Very high15 Ų1550 Ų507%0.0726%0.261CS..Hα-helixtrans-66.1-29.1174.6-161-169.431.700112.2A441 N468 L469 L470 L476A441-Q472 HydrophobicContact CB-CB 3.71Å; A441-Q472 HydrophobicContact CB-CG 3.78Å; N468-Q472 PolarHBondContact O-N 2.81Å; N468-Q472 VanDerWaalsContact O-N 3.1Å; L469-Q472 CarbonylContact O-C 3.14Å; L469-Q472 WeakPolarHBondContact O-CB 3.37Å; L469-Q472 PolarHBondContact O-N 3Å; L470-Q472 VanDerWaalsContact C-N 3.28Å; L470-Q472 PolarHBondContact O-N 3.22Å; Q472-L476 HydrophobicContact CG-CD1 4.39Å; Q472-L476 WeakPolarHBondContact O-CB 3.15Å; Q472-L476 VanDerWaalsContact O-CG 3.24Å; Q472-L476 WeakPolarHBondContact O-CG 3.16Å; Q472-L476 PolarHBondContact O-N 3.27Å; Q472-L476 VanDerWaalsContact O-N 3.1Å
473C98.6Very high98.2Very high0 Ų052.5 Ų52.50%027%0.271CS..Hα-helixtrans-68.6-35.6171-70.20000112.4A441 L469 L470 N471 G477 I478 R479A441-C473 HydrophobicContact CB-CB 4.31Å; A441-C473 WeakPolarHBondContact CB-SG 3.38Å; L469-C473 PolarHBondContact O-N 3.05Å; L469-C473 PolarHBondContact O-SG 2.71Å; L470-C473 CarbonylContact O-C 3.23Å; L470-C473 WeakPolarHBondContact O-CA 3.27Å; L470-C473 VanDerWaalsContact O-CB 3.25Å; L470-C473 WeakPolarHBondContact O-CB 3.26Å; L470-C473 PolarHBondContact O-N 3.1Å; N471-C473 VanDerWaalsContact C-N 3.28Å; N471-C473 PolarHBondContact O-N 3.37Å; C473-G477 PolarHBondContact O-N 2.99Å; C473-G477 VanDerWaalsContact O-N 3.11Å; C473-I478 HydrophobicContact CB-CD1 4.43Å; C473-I478 HydrophobicContact CB-CG1 3.81Å; C473-I478 WeakPolarHBondContact O-CG1 3.18Å; C473-I478 PolarHBondContact O-N 3.15Å; C473-R479 HydrophobicContact CB-CB 4.01Å; C473-R479 PolarHBondContact O-N 3.09Å
474D98.2Very high98.2Very high90 Ų9048.6 Ų48.648%0.48126%0.257SS..Hα-helixtrans-68.2-46173.5-77.7-55.9000111.4L470 N471 L476 G477 R479L470-D474 PolarHBondContact O-N 2.66Å; N471-D474 PolarHBondContact O-N 3.1Å; N471-D474 VanDerWaalsContact O-N 3.16Å; D474-L476 PolarHBondContact O-N 2.84Å; D474-G477 PolarHBondContact O-N 3Å; D474-R479 WeakPolarHBondContact OD1-CB 3.4Å; D474-R479 WeakPolarHBondContact OD1-CG 3.43Å
475E98Very high98.2Very high166 Ų16645.6 Ų45.678%0.77624%0.24SC*.Hα-helixtrans-56.4-35.5173.7-70.5179.8172.400112.9N471N471-E475 PolarHBondContact O-N 3.4Å
476L98.1Very high98.1Very high51 Ų5144 Ų4427%0.26724%0.235SC..THydrogen-bonded Turntrans-86.2-4.7177.4-69.3172.9000114.3A441 V442 K445 Q472 D474 I478A441-L476 HydrophobicContact CB-CD1 3.71Å; V442-L476 HydrophobicContact CG2-CD1 3.74Å; K445-L476 HydrophobicContact CD-CB 4.39Å; K445-L476 HydrophobicContact CD-CD1 4.4Å; K445-L476 HydrophobicContact CD-CD2 4.34Å; K445-L476 PolarHBondContact NZ-O 3.11Å; Q472-L476 HydrophobicContact CG-CD1 4.39Å; Q472-L476 WeakPolarHBondContact O-CB 3.15Å; Q472-L476 VanDerWaalsContact O-CG 3.24Å; Q472-L476 WeakPolarHBondContact O-CG 3.16Å; Q472-L476 PolarHBondContact O-N 3.27Å; Q472-L476 VanDerWaalsContact O-N 3.1Å; D474-L476 PolarHBondContact O-N 2.84Å; L476-I478 HydrophobicContact CB-CG1 4.23Å
477G98.4Very high97.9Very high50 Ų5044.3 Ų44.352%0.51524%0.236SC..THydrogen-bonded Turntrans7718.6179.100000115.7C473 D474 Q481C473-G477 PolarHBondContact O-N 2.99Å; C473-G477 VanDerWaalsContact O-N 3.11Å; D474-G477 PolarHBondContact O-N 3Å; G477-Q481 PolarHBondContact O-NE2 3.06Å
478I98.5Very high97.7Very high6 Ų642.4 Ų42.43%0.03122%0.224CC..  trans-114.6-7.7-17065.7169.3000115.9A441 L444 K445 L448 C473 L476 N480 Q481 F482A441-I478 WeakPolarHBondContact O-CD1 3.31Å; L444-I478 HydrophobicContact CB-CD1 4.5Å; K445-I478 HydrophobicContact CB-CD1 3.92Å; K445-I478 HydrophobicContact CG-CD1 4.48Å; K445-I478 HydrophobicContact CG-CG2 4.33Å; L448-I478 HydrophobicContact CD2-CB 3.9Å; L448-I478 HydrophobicContact CD2-CG2 3.82Å; C473-I478 HydrophobicContact CB-CD1 4.43Å; C473-I478 HydrophobicContact CB-CG1 3.81Å; C473-I478 WeakPolarHBondContact O-CG1 3.18Å; C473-I478 PolarHBondContact O-N 3.15Å; L476-I478 HydrophobicContact CB-CG1 4.23Å; I478-N480 PolarHBondContact O-N 2.91Å; I478-Q481 WeakPolarHBondContact O-CB 3.13Å; I478-Q481 PolarHBondContact O-N 2.98Å; I478-F482 HydrophobicContact CB-CE1 4.5Å; I478-F482 HydrophobicContact CD1-CE1 4.18Å; I478-F482 HydrophobicContact CG1-CE1 4.25Å; I478-F482 WeakPolarHBondContact O-CE1 3.31Å
479R97Very high97.5Very high23 Ų2341.1 Ų41.19%0.08722%0.215CC..THydrogen-bonded Turntrans-48.7-37.5-173.1172.360-167.8108.8-8.7115.3C473 D474 G559 L560 D562C473-R479 HydrophobicContact CB-CB 4.01Å; C473-R479 PolarHBondContact O-N 3.09Å; D474-R479 WeakPolarHBondContact OD1-CB 3.4Å; D474-R479 WeakPolarHBondContact OD1-CG 3.43Å; R479-G559 PolarHBondContact NH2-O 2.95Å; R479-L560 PolarHBondContact NH2-O 3.37Å; R479-D562 IonicContact NH1-OD2 3.45Å
480N96.5Very high97.2Very high147 Ų14741.1 Ų41.179%0.78622%0.215SC*.THydrogen-bonded Turntrans-103.220.1-175.5-56.9-45.1000113.1I478I478-N480 PolarHBondContact O-N 2.91Å
481Q98.4Very high97.1Very high114 Ų11441.9 Ų41.953%0.53322%0.219SC..SBendtrans-105.1-4.8-179.1-58.3-168.539.300113.6L448 G477 I478L448-Q481 HydrophobicContact CD1-CB 4.18Å; L448-Q481 HydrophobicContact CD2-CB 3.77Å; L448-Q481 HydrophobicContact CD2-CG 4.48Å; G477-Q481 PolarHBondContact O-NE2 3.06Å; I478-Q481 WeakPolarHBondContact O-CB 3.13Å; I478-Q481 PolarHBondContact O-N 2.98Å
482F98.6Very high97Very high11 Ų1137.9 Ų37.95%0.04820%0.198CC..SBendtrans-153.2155.9177.763.5-85.8000110.5L444 M452 M453 W455 I478 V484L444-F482 HydrophobicContact CB-CZ 4.45Å; L444-F482 HydrophobicContact CD1-CE2 3.99Å; L444-F482 HydrophobicContact CD1-CZ 3.75Å; M452-F482 HydrophobicContact CE-CB 4.02Å; M452-F482 HydrophobicContact CE-CD1 4.01Å; M452-F482 HydrophobicContact CE-CD2 3.88Å; M452-F482 HydrophobicContact CE-CE1 4.49Å; M452-F482 HydrophobicContact CE-CE2 4.38Å; M452-F482 HydrophobicContact CE-CG 3.69Å; M453-F482 CarbonylContact O-C 3.58Å; M453-F482 VanDerWaalsContact O-CA 3.24Å; M453-F482 WeakPolarHBondContact O-CA 3.44Å; M453-F482 WeakPolarHBondContact O-CB 3.3Å; W455-F482 HydrophobicContact CB-CD2 4.17Å; W455-F482 HydrophobicContact CB-CE2 4.28Å; W455-F482 HydrophobicContact CE3-CE2 4.36Å; I478-F482 HydrophobicContact CB-CE1 4.5Å; I478-F482 HydrophobicContact CD1-CE1 4.18Å; I478-F482 HydrophobicContact CG1-CE1 4.25Å; I478-F482 WeakPolarHBondContact O-CE1 3.31Å; F482-V484 HydrophobicContact CE2-CG2 4.17Å
483E98.3Very high96.8Very high64 Ų6437.2 Ų37.230%0.29919%0.194SC..EExtended strand (participates in β ladder)trans-84.1142.5176.4-61.1165.8143.200111.4M453 R454 W455 D562M453-E483 PolarHBondContact O-N 2.66Å; R454-E483 CarbonylContact C-O 3.45Å; R454-E483 VanDerWaalsContact CA-O 3.26Å; R454-E483 WeakPolarHBondContact CA-O 3.13Å; R454-E483 HydrophobicContact CB-CB 4.03Å; R454-E483 HydrophobicContact CG-CB 3.92Å; R454-E483 IonicContact CZ-OE2 3.44Å; R454-E483 IonicContact NE-OE2 3.67Å; R454-E483 PolarHBondContact NE-OE2 3.2Å; R454-E483 IonicContact NH2-OE1 2.74Å; R454-E483 IonicContact NH2-OE2 3.13Å; R454-E483 PolarHBondContact NH2-OE2 2.97Å; W455-E483 PolarHBondContact N-O 3.11Å; E483-D562 HydrophobicContact CB-CB 4.19Å
484V98.4Very high96.7Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-97128173.41780000110.1L466 L470 F482 L560 D562 V563L466-V484 HydrophobicContact CD1-CG1 3.9Å; L466-V484 HydrophobicContact CD2-CG1 4.26Å; L470-V484 HydrophobicContact CD2-CG2 3.78Å; F482-V484 HydrophobicContact CE2-CG2 4.17Å; V484-L560 WeakPolarHBondContact CB-O 3.21Å; V484-L560 WeakPolarHBondContact CG1-O 3.32Å; V484-D562 PolarHBondContact N-OD2 2.93Å; V484-D562 PolarHBondContact O-N 3.33Å; V484-V563 PolarHBondContact O-N 2.95Å
485E98.2Very high96.6Very high0 Ų032.9 Ų32.90%017%0.171CC..EExtended strand (participates in β ladder)trans-120.8140.8177.7179.4174.6-147.500111.9Y353 R454 W455 C456 M457 V563 R565Y353-E485 WeakPolarHBondContact CE2-OE1 3.37Å; Y353-E485 VanDerWaalsContact CZ-OE1 3.29Å; Y353-E485 PolarHBondContact OH-OE1 3.16Å; Y353-E485 PolarHBondContact OH-OE2 2.79Å; R454-E485 VanDerWaalsContact CD-OE2 3.24Å; R454-E485 WeakPolarHBondContact CD-OE2 3.4Å; R454-E485 HydrophobicContact CG-CB 4.03Å; W455-E485 PolarHBondContact O-N 3.15Å; C456-E485 CarbonylContact C-O 3.56Å; C456-E485 WeakPolarHBondContact CA-O 3.28Å; C456-E485 HydrophobicContact CB-CB 4.07Å; C456-E485 HydrophobicContact CB-CG 4.09Å; M457-E485 PolarHBondContact N-O 3.2Å; E485-V563 VanDerWaalsContact CA-O 3.29Å; E485-V563 WeakPolarHBondContact CA-O 3.44Å; E485-V563 HydrophobicContact CB-CB 3.98Å; E485-V563 HydrophobicContact CB-CG1 4.48Å; E485-V563 HydrophobicContact CG-CB 3.94Å; E485-V563 HydrophobicContact CG-CG1 3.92Å; E485-R565 HydrophobicContact CG-CB 4.12Å; E485-R565 WeakPolarHBondContact OE1-CD 3.49Å
486V96Very high96.3Very high1 Ų125 Ų251%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-126.9131.3176.7-179.60000109.9M457 S488 L550 V561 V563 R565 W602M457-V486 HydrophobicContact CE-CG1 4.09Å; M457-V486 HydrophobicContact CE-CG2 4.41Å; M457-V486 HydrophobicContact CG-CG2 4.14Å; M457-V486 HydrophobicContact SD-CG2 3.92Å; V486-S488 WeakPolarHBondContact CG1-OG 3.49Å; V486-S488 PolarHBondContact O-N 3.33Å; V486-S488 PolarHBondContact O-OG 3.35Å; V486-L550 HydrophobicContact CG1-CD1 4.08Å; V486-V561 HydrophobicContact CB-CG1 4.12Å; V486-V561 HydrophobicContact CB-CG2 4.5Å; V486-V561 HydrophobicContact CG2-CB 4.34Å; V486-V561 HydrophobicContact CG2-CG1 3.75Å; V486-V561 HydrophobicContact CG2-CG2 3.56Å; V486-V563 PolarHBondContact N-O 3.45Å; V486-R565 PolarHBondContact O-N 3.28Å; V486-W602 HydrophobicContact CG1-CZ3 4.23Å; V486-W602 HydrophobicContact CG2-CZ3 4.21Å
487L94.7Very high95.8Very high7 Ų722.6 Ų22.64%0.03712%0.122CC..EExtended strand (participates in β ladder)trans-73.6106.7167-175.168.9000108.6V459 L492 P493 Y548 R565V459-L487 HydrophobicContact CG1-CB 4.37Å; V459-L487 HydrophobicContact CG1-CD2 3.92Å; L487-L492 HydrophobicContact CD2-CD2 3.86Å; L487-L492 HydrophobicContact CG-CD2 4.4Å; L487-P493 HydrophobicContact CD2-CG 4.13Å; L487-Y548 WeakPolarHBondContact O-CD1 3.29Å; L487-Y548 VanDerWaalsContact O-CE1 3.31Å; L487-Y548 WeakPolarHBondContact O-CE1 3.31Å; L487-R565 HydrophobicContact CD1-CB 4.41Å; L487-R565 HydrophobicContact CD1-CG 4.22Å
488S94.3Very high94.9Very high0 Ų020.2 Ų20.20%010%0.097CC..EExtended strand (participates in β ladder)trans-117.8-9-164.8-68.20000114.1V486 L550 R565V486-S488 WeakPolarHBondContact CG1-OG 3.49Å; V486-S488 PolarHBondContact O-N 3.33Å; V486-S488 PolarHBondContact O-OG 3.35Å; S488-L550 PolarHBondContact O-N 3.26Å; S488-R565 PolarHBondContact N-O 2.8Å
489Y93.5Very high94Very high31 Ų3120.1 Ų20.112%0.12210%0.096CC..EExtended strand (participates in β ladder)trans-140.4144.9169.1-172.5-104.7000112.1V547 Y548 N549 R565 L566 S567 M576 F580Y489-V547 HydrophobicContact CD2-CG1 4.07Å; Y489-V547 HydrophobicContact CE1-CG1 4.45Å; Y489-V547 HydrophobicContact CE2-CG1 3.54Å; Y489-Y548 CarbonylContact C-O 3.5Å; Y489-Y548 WeakPolarHBondContact CA-O 3.36Å; Y489-N549 HydrophobicContact CD2-CB 4.3Å; Y489-R565 PolarHBondContact N-O 3.47Å; Y489-L566 HydrophobicContact CD1-CB 4.45Å; Y489-L566 HydrophobicContact CD1-CD2 4.43Å; Y489-L566 HydrophobicContact CG-CD2 4.39Å; Y489-L566 HydrophobicContact CG-CG 4.43Å; Y489-S567 WeakPolarHBondContact O-CB 3.35Å; Y489-S567 PolarHBondContact O-N 3.06Å; Y489-M576 HydrophobicContact CD1-CG 4.04Å; Y489-M576 HydrophobicContact CD2-CG 3.81Å; Y489-M576 HydrophobicContact CD2-SD 4.32Å; Y489-M576 HydrophobicContact CE1-CB 4.37Å; Y489-M576 HydrophobicContact CE1-CG 3.95Å; Y489-M576 HydrophobicContact CE2-CE 3.9Å; Y489-M576 HydrophobicContact CE2-CG 3.73Å; Y489-M576 HydrophobicContact CE2-SD 4.04Å; Y489-M576 HydrophobicContact CG-CG 3.97Å; Y489-F580 HydrophobicContact CD2-CE2 4.19Å; Y489-F580 HydrophobicContact CD2-CZ 4.24Å; Y489-F580 HydrophobicContact CG-CZ 4.44Å
490G92.4Very high93.6Very high0 Ų019.8 Ų19.80%010%0.097CC..EExtended strand (participates in β ladder)trans108.4171.5172.500000113.7L492 Y548G490-L492 PolarHBondContact O-N 3.47Å; G490-Y548 PolarHBondContact N-O 2.98Å; G490-Y548 WeakPolarHBondContact O-CB 3.38Å; G490-Y548 PolarHBondContact O-N 3.16Å
491H96.1Very high93.4Very high20 Ų2012.8 Ų12.89%0.0936%0.06CC..EExtended strand (participates in β ladder)trans-64.2129.2174.2-71.6-82.4000111M543 S544 G545 Y546 Q569H491-M543 HydrophobicContact CB-CB 4.39Å; H491-M543 HydrophobicContact CB-CE 3.3Å; H491-S544 PolarHBondContact ND1-O 2.93Å; H491-G545 PolarHBondContact CE1-O 3.46Å; H491-G545 VanDerWaalsContact CE1-O 3.32Å; H491-Y546 PolarHBondContact ND1-O 3.26Å; H491-Q569 PolarHBondContact CD2-OE1 2.7Å; H491-Q569 VanDerWaalsContact CD2-OE1 3.29Å; H491-Q569 PolarHBondContact NE2-OE1 3.32Å
492L96.3Very high93.1Very high0 Ų07.4 Ų7.40%04%0.035CC..  trans-75.3136-175.4-65179.4000112.3V459 L487 G490 L494 M543 S544 Y548 Y601V459-L492 HydrophobicContact CB-CD1 4.43Å; V459-L492 HydrophobicContact CB-CD2 4.07Å; V459-L492 HydrophobicContact CG1-CD2 4.11Å; V459-L492 HydrophobicContact CG2-CB 4.4Å; L487-L492 HydrophobicContact CD2-CD2 3.86Å; L487-L492 HydrophobicContact CG-CD2 4.4Å; G490-L492 PolarHBondContact O-N 3.47Å; L492-L494 HydrophobicContact CB-CD2 3.81Å; L492-L494 HydrophobicContact CB-CG 4.32Å; L492-L494 HydrophobicContact CD1-CD2 4.36Å; L492-L494 PolarHBondContact O-N 2.93Å; L492-M543 CarbonylContact O-C 3.54Å; L492-M543 WeakPolarHBondContact O-CA 3.48Å; L492-M543 WeakPolarHBondContact O-CB 3.36Å; L492-S544 PolarHBondContact N-OG 3.05Å; L492-S544 PolarHBondContact O-N 2.88Å; L492-Y548 HydrophobicContact CD1-CD1 4.31Å; L492-Y548 HydrophobicContact CD1-CD2 3.88Å; L492-Y548 HydrophobicContact CD1-CE2 4.29Å; L492-Y548 HydrophobicContact CD1-CG 3.85Å; L492-Y548 HydrophobicContact CD2-CD1 3.63Å; L492-Y548 HydrophobicContact CD2-CE1 4.28Å; L492-Y548 HydrophobicContact CD2-CG 3.77Å; L492-Y548 HydrophobicContact CG-CD1 4.31Å; L492-Y548 HydrophobicContact CG-CD2 4.45Å; L492-Y548 HydrophobicContact CG-CG 3.95Å; L492-Y601 HydrophobicContact CD1-CD2 3.57Å; L492-Y601 HydrophobicContact CD1-CE2 3.65Å
493P94.2Very high92.7Very high0 Ų06.9 Ų6.90%03%0.033CC..  trans-7282.9169.926.3-31.6000111.7L329 H434 V459 L487 Q541L329-P493 HydrophobicContact CD2-CB 4.34Å; H434-P493 WeakPolarHBondContact CE1-CG 3.35Å; V459-P493 HydrophobicContact CG1-CG 4.24Å; L487-P493 HydrophobicContact CD2-CG 4.13Å; P493-Q541 VanDerWaalsContact CA-OE1 3.29Å
494L97.1Very high92.2Very high0 Ų06.1 Ų6.10%03%0.027CC..  trans-77.1-39.1-172.3-59.9179.1000114.4Y177 L178 Y181 L492 F535 T542 Y601Y177-L494 WeakPolarHBondContact CB-O 3.43Å; Y177-L494 VanDerWaalsContact CD2-O 3.23Å; Y177-L494 WeakPolarHBondContact CD2-O 3.49Å; Y177-L494 PolarHBondContact N-O 2.91Å; L178-L494 HydrophobicContact CD2-CB 3.63Å; L178-L494 HydrophobicContact CD2-CD1 4.02Å; Y181-L494 HydrophobicContact CD1-CD1 3.55Å; Y181-L494 HydrophobicContact CD2-CD1 3.79Å; Y181-L494 HydrophobicContact CD2-CD2 4.06Å; Y181-L494 HydrophobicContact CE1-CD1 4.22Å; Y181-L494 HydrophobicContact CE2-CD1 4.41Å; Y181-L494 HydrophobicContact CG-CD1 3.33Å; Y181-L494 HydrophobicContact CG-CD2 4.13Å; Y181-L494 HydrophobicContact CG-CG 4.38Å; L492-L494 HydrophobicContact CB-CD2 3.81Å; L492-L494 HydrophobicContact CB-CG 4.32Å; L492-L494 HydrophobicContact CD1-CD2 4.36Å; L492-L494 PolarHBondContact O-N 2.93Å; L494-F535 HydrophobicContact CD1-CD1 4.1Å; L494-F535 HydrophobicContact CD1-CE1 4.12Å; L494-T542 WeakPolarHBondContact CB-O 3.33Å; L494-T542 PolarHBondContact N-O 3.3Å; L494-Y601 HydrophobicContact CD2-CE2 4.06Å
495A95.2Very high91.8Very high0 Ų06.6 Ų6.60%03%0.031CC..EExtended strand (participates in β ladder)trans-151.514218000000113.5M171 C176 L178 Q541 T542M171-A495 HydrophobicContact CG-CB 4.23Å; M171-A495 HydrophobicContact SD-CB 3.78Å; C176-A495 HydrophobicContact CB-CB 4.26Å; L178-A495 HydrophobicContact CD1-CB 4.04Å; L178-A495 HydrophobicContact CD2-CB 3.98Å; L178-A495 HydrophobicContact CG-CB 3.81Å; A495-Q541 WeakPolarHBondContact O-CA 3.4Å; A495-Q541 WeakPolarHBondContact O-CG 3.4Å; A495-T542 PolarHBondContact N-O 3.4Å; A495-T542 PolarHBondContact O-N 3.04Å
496Y91.6Very high91.5Very high0 Ų08.3 Ų8.30%04%0.038CC..EExtended strand (participates in β ladder)trans-103.9108.6174.3-51.8-95.8000109.6S172 R175 H327 A390 H434 A435 I540 Q541S172-Y496 PolarHBondContact N-O 3.14Å; R175-Y496 HydrophobicContact CB-CD2 3.69Å; R175-Y496 HydrophobicContact CB-CE2 4.14Å; R175-Y496 PolarHBondContact O-N 3.41Å; H327-Y496 HydrophobicContact CB-CD1 3.53Å; H327-Y496 HydrophobicContact CB-CE1 3.54Å; H327-Y496 AromaticContact CG-CE1 3.71Å; H327-Y496 AromaticContact ND1-CE1 3.54Å; A390-Y496 HydrophobicContact CB-CD1 3.9Å; A390-Y496 HydrophobicContact CB-CE1 3.28Å; H434-Y496 PolarHBondContact CE1-OH 2.85Å; A435-Y496 HydrophobicContact CB-CE2 4.25Å; Y496-I540 HydrophobicContact CD1-CD1 4.43Å; Y496-Q541 HydrophobicContact CD1-CG 4.28Å; Y496-Q541 VanDerWaalsContact CZ-NE2 3.31Å
497S87.7Confident91Very high0 Ų015.7 Ų15.70%08%0.078CC..EExtended strand (participates in β ladder)trans-86.6150.2166.1-169.40000112.1I170 Y326 R499 F501 I540I170-S497 VanDerWaalsContact O-CA 3.31Å; I170-S497 WeakPolarHBondContact O-CA 3.35Å; I170-S497 WeakPolarHBondContact O-CB 3.47Å; I170-S497 PolarHBondContact O-OG 3.43Å; Y326-S497 WeakPolarHBondContact CD1-O 3.26Å; Y326-S497 VanDerWaalsContact CE1-O 3.31Å; Y326-S497 WeakPolarHBondContact CE1-O 3.24Å; S497-R499 PolarHBondContact O-N 2.78Å; S497-R499 PolarHBondContact OG-N 3.16Å; S497-F501 VanDerWaalsContact OG-CZ 3.3Å; S497-F501 WeakPolarHBondContact OG-CZ 3.42Å; S497-I540 WeakPolarHBondContact CB-O 3.32Å; S497-I540 PolarHBondContact N-O 3.44Å; S497-I540 WeakPolarHBondContact O-CB 3.2Å; S497-I540 VanDerWaalsContact O-CD1 3.25Å; S497-I540 WeakPolarHBondContact O-CD1 3.35Å; S497-I540 WeakPolarHBondContact O-CG1 3.31Å
498A79.2Confident90.6Very high0 Ų018.7 Ų18.70%09%0.089CC..SBendtrans-86.770.6146.800000108.3V143 I170 L323 G324 A325 Y326V143-A498 HydrophobicContact CB-CB 3.44Å; V143-A498 VanDerWaalsContact CB-CB 3.44Å; V143-A498 HydrophobicContact CG1-CB 3.55Å; V143-A498 HydrophobicContact CG2-CB 4.33Å; I170-A498 PolarHBondContact O-N 2.86Å; L323-A498 CarbonylContact C-O 3.54Å; L323-A498 VanDerWaalsContact C-O 3.23Å; G324-A498 WeakPolarHBondContact CA-O 3.37Å; G324-A498 PolarHBondContact N-O 3.16Å; A325-A498 HydrophobicContact CB-CB 4.17Å; Y326-A498 HydrophobicContact CE1-CB 3.88Å; Y326-A498 WeakPolarHBondContact OH-CB 3.45Å
499R80.2Confident90Very high4 Ų422.1 Ų22.12%0.01511%0.111CC..BIsolated β-bridgetrans-162.7131.4160.5-80.2-151.5-160.5142.116.8110.3I170 E247 T322 G324 S497 F501 I540I170-R499 HydrophobicContact CD1-CG 3.93Å; I170-R499 VanDerWaalsContact CD1-NH2 3.33Å; I170-R499 HydrophobicContact CG1-CB 4.28Å; I170-R499 HydrophobicContact CG1-CG 3.65Å; E247-R499 IonicContact OE1-CZ 3.96Å; E247-R499 IonicContact OE1-NH1 3.66Å; E247-R499 PolarHBondContact OE1-NH1 3.09Å; E247-R499 IonicContact OE1-NH2 2.77Å; E247-R499 IonicContact OE2-CZ 3.59Å; E247-R499 VanDerWaalsContact OE2-CZ 3.27Å; E247-R499 IonicContact OE2-NH1 3.7Å; E247-R499 PolarHBondContact OE2-NH1 2.67Å; E247-R499 IonicContact OE2-NH2 3.86Å; E247-R499 PolarHBondContact OE2-NH2 3.24Å; T322-R499 PolarHBondContact O-NE 3.02Å; T322-R499 PolarHBondContact O-NH2 3.07Å; T322-R499 WeakPolarHBondContact OG1-CD 3.48Å; T322-R499 PolarHBondContact OG1-NE 3.15Å; T322-R499 VanDerWaalsContact OG1-NE 3.11Å; G324-R499 VanDerWaalsContact C-CA 3.47Å; G324-R499 VanDerWaalsContact C-N 3.26Å; G324-R499 CarbonylContact O-C 3.6Å; G324-R499 WeakPolarHBondContact O-CA 3.46Å; G324-R499 PolarHBondContact O-N 2.69Å; S497-R499 PolarHBondContact O-N 2.78Å; S497-R499 PolarHBondContact OG-N 3.16Å; R499-F501 HydrophobicContact CB-CD1 4.19Å; R499-F501 HydrophobicContact CB-CE1 3.76Å; R499-F501 HydrophobicContact CB-CZ 4.34Å; R499-F501 PolarHBondContact O-N 2.88Å; R499-I540 VanDerWaalsContact C-CG2 3.49Å; R499-I540 WeakPolarHBondContact O-CA 3.17Å; R499-I540 WeakPolarHBondContact O-CB 3.05Å; R499-I540 VanDerWaalsContact O-CG2 3.31Å; R499-I540 WeakPolarHBondContact O-CG2 3.48Å
500C89.2Confident89.4Confident16 Ų1621.9 Ų21.911%0.10811%0.111CC..  trans-79.388.1178.6-166.50000110.6G324 T502 A503 R504 K510 G539 I540G324-C500 PolarHBondContact O-N 3.44Å; C500-T502 VanDerWaalsContact C-N 3.26Å; C500-T502 PolarHBondContact O-N 2.82Å; C500-A503 HydrophobicContact CB-CB 3.76Å; C500-A503 CarbonylContact O-C 3.08Å; C500-A503 WeakPolarHBondContact O-CA 3.38Å; C500-A503 WeakPolarHBondContact O-CB 3.44Å; C500-A503 PolarHBondContact O-N 3.07Å; C500-A503 VanDerWaalsContact SG-CB 3.59Å; C500-R504 PolarHBondContact O-N 2.98Å; C500-K510 HydrophobicContact CB-CB 4.06Å; C500-G539 CarbonylContact C-O 3.47Å; C500-G539 VanDerWaalsContact C-O 3.22Å; C500-G539 VanDerWaalsContact CA-O 3.27Å; C500-G539 WeakPolarHBondContact CA-O 3.27Å; C500-G539 VanDerWaalsContact SG-C 3.59Å; C500-G539 PolarHBondContact SG-O 2.74Å; C500-I540 HydrophobicContact CB-CG2 3.76Å
501F91.6Very high88.9Confident0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-60-32.1177-52.5-50.1000113.1I170 M171 L246 S497 R499 A503 R504 S505 L537 G539 I540I170-F501 HydrophobicContact CG2-CZ 4.23Å; M171-F501 HydrophobicContact CE-CE2 3.64Å; M171-F501 HydrophobicContact CE-CZ 3.52Å; M171-F501 HydrophobicContact SD-CE2 4.12Å; M171-F501 HydrophobicContact SD-CZ 4.12Å; L246-F501 HydrophobicContact CB-CD1 4.33Å; L246-F501 HydrophobicContact CB-CE1 4.03Å; L246-F501 HydrophobicContact CB-CZ 4.22Å; L246-F501 HydrophobicContact CD2-CB 4.2Å; L246-F501 HydrophobicContact CD2-CD1 3.95Å; L246-F501 HydrophobicContact CD2-CD2 3.5Å; L246-F501 VanDerWaalsContact CD2-CD2 3.5Å; L246-F501 HydrophobicContact CD2-CE1 4.15Å; L246-F501 HydrophobicContact CD2-CE2 3.69Å; L246-F501 HydrophobicContact CD2-CG 3.62Å; L246-F501 HydrophobicContact CD2-CZ 4.01Å; L246-F501 WeakPolarHBondContact O-CD1 3.02Å; L246-F501 WeakPolarHBondContact O-CE1 3.41Å; S497-F501 VanDerWaalsContact OG-CZ 3.3Å; S497-F501 WeakPolarHBondContact OG-CZ 3.42Å; R499-F501 HydrophobicContact CB-CD1 4.19Å; R499-F501 HydrophobicContact CB-CE1 3.76Å; R499-F501 HydrophobicContact CB-CZ 4.34Å; R499-F501 PolarHBondContact O-N 2.88Å; F501-A503 VanDerWaalsContact C-N 3.27Å; F501-A503 PolarHBondContact O-N 2.77Å; F501-R504 PolarHBondContact O-N 3.35Å; F501-S505 WeakPolarHBondContact O-CB 3.37Å; F501-S505 PolarHBondContact O-N 3.05Å; F501-S505 PolarHBondContact O-OG 3.39Å; F501-L537 HydrophobicContact CB-CB 4.48Å; F501-L537 HydrophobicContact CB-CD1 3.99Å; F501-L537 HydrophobicContact CB-CD2 3.82Å; F501-L537 HydrophobicContact CB-CG 4.3Å; F501-L537 HydrophobicContact CD2-CD2 4.48Å; F501-L537 HydrophobicContact CG-CD2 4.45Å; F501-G539 PolarHBondContact N-O 3.02Å; F501-I540 VanDerWaalsContact CD2-O 3.3Å; F501-I540 WeakPolarHBondContact CD2-O 3.38Å; F501-I540 VanDerWaalsContact CE2-O 3.24Å; F501-I540 WeakPolarHBondContact CE2-O 3.49Å
502T92.5Very high88.4Confident1 Ų133.9 Ų33.91%0.00617%0.171CC..Hα-helixtrans-69.5-22.9171.1-51.90000112.8C500 S505 C516 C517 Y520 L537 G539C500-T502 VanDerWaalsContact C-N 3.26Å; C500-T502 PolarHBondContact O-N 2.82Å; T502-S505 VanDerWaalsContact CA-OG 3.31Å; T502-S505 WeakPolarHBondContact CA-OG 3.18Å; T502-S505 PolarHBondContact O-OG 2.83Å; T502-C516 PolarHBondContact O-SG 2.86Å; T502-C517 HydrophobicContact CG2-CB 3.79Å; T502-Y520 HydrophobicContact CG2-CD2 3.58Å; T502-Y520 HydrophobicContact CG2-CE2 4.11Å; T502-Y520 HydrophobicContact CG2-CG 4.36Å; T502-L537 PolarHBondContact OG1-O 2.96Å; T502-G539 PolarHBondContact N-O 2.87Å; T502-G539 PolarHBondContact OG1-N 3.27Å; T502-G539 PolarHBondContact OG1-O 3.47Å
503A90Very high88.1Confident0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-85.3-42.2170.400000111.8C500 F501 S505 E506 D507 R508 C513C500-A503 HydrophobicContact CB-CB 3.76Å; C500-A503 CarbonylContact O-C 3.08Å; C500-A503 WeakPolarHBondContact O-CA 3.38Å; C500-A503 WeakPolarHBondContact O-CB 3.44Å; C500-A503 PolarHBondContact O-N 3.07Å; C500-A503 VanDerWaalsContact SG-CB 3.59Å; F501-A503 VanDerWaalsContact C-N 3.27Å; F501-A503 PolarHBondContact O-N 2.77Å; A503-S505 PolarHBondContact O-N 2.86Å; A503-E506 CarbonylContact O-C 3.55Å; A503-E506 WeakPolarHBondContact O-CA 3.2Å; A503-E506 PolarHBondContact O-N 3.47Å; A503-D507 PolarHBondContact O-N 2.71Å; A503-R508 CarbonylContact C-O 3.51Å; A503-R508 HydrophobicContact CB-CB 4.1Å; A503-R508 WeakPolarHBondContact CB-O 3.45Å; A503-R508 WeakPolarHBondContact O-CB 3.23Å; A503-R508 PolarHBondContact O-N 3.01Å; A503-C513 HydrophobicContact CB-CB 3.62Å
504R88Confident87.9Confident48 Ų4841.1 Ų41.118%0.18121%0.206CC..Hα-helixtrans-58.8-33.2174.7178.1173.9167.287.6-5.9112.2H244 L246 E248 C500 F501 E506 D507 R508H244-R504 PolarHBondContact O-NE 3.42Å; H244-R504 VanDerWaalsContact O-NE 3.1Å; H244-R504 PolarHBondContact O-NH2 3.23Å; L246-R504 WeakPolarHBondContact O-CD 3.28Å; L246-R504 PolarHBondContact O-NE 3.12Å; E248-R504 IonicContact OE1-CZ 2.78Å; E248-R504 IonicContact OE1-NH1 3.98Å; E248-R504 PolarHBondContact OE1-NH1 3.23Å; E248-R504 IonicContact OE1-NH2 3.32Å; E248-R504 PolarHBondContact OE1-NH2 2.97Å; C500-R504 PolarHBondContact O-N 2.98Å; F501-R504 PolarHBondContact O-N 3.35Å; R504-E506 PolarHBondContact O-N 3.1Å; R504-D507 PolarHBondContact O-N 3.17Å; R504-R508 PolarHBondContact N-O 2.92Å
505S90.4Very high87.6Confident11 Ų1142.8 Ų42.88%0.07722%0.216CC..THydrogen-bonded Turntrans-75.3-3.917350.10000114.3Y243 F501 T502 A503 R524Y243-S505 WeakPolarHBondContact OH-CA 3.44Å; Y243-S505 WeakPolarHBondContact OH-CB 3.45Å; F501-S505 WeakPolarHBondContact O-CB 3.37Å; F501-S505 PolarHBondContact O-N 3.05Å; F501-S505 PolarHBondContact O-OG 3.39Å; T502-S505 VanDerWaalsContact CA-OG 3.31Å; T502-S505 WeakPolarHBondContact CA-OG 3.18Å; T502-S505 PolarHBondContact O-OG 2.83Å; A503-S505 PolarHBondContact O-N 2.86Å; S505-R524 VanDerWaalsContact CB-NH1 3.25Å; S505-R524 VanDerWaalsContact O-CZ 3.31Å; S505-R524 PolarHBondContact O-NH1 3.36Å; S505-R524 PolarHBondContact O-NH2 2.79Å; S505-R524 VanDerWaalsContact O-NH2 3.09Å; S505-R524 PolarHBondContact OG-NH1 2.89Å; S505-R524 VanDerWaalsContact OG-NH1 3.07Å
506E90.6Very high87.5Confident35 Ų3543 Ų4316%0.16422%0.217CC..THydrogen-bonded Turntrans-111.719.6163-64.4-166.4172.800111.5A503 R504 R508 C516 K519 Y520A503-E506 CarbonylContact O-C 3.55Å; A503-E506 WeakPolarHBondContact O-CA 3.2Å; A503-E506 PolarHBondContact O-N 3.47Å; R504-E506 PolarHBondContact O-N 3.1Å; E506-R508 HydrophobicContact CB-CG 4.34Å; E506-R508 WeakPolarHBondContact O-CG 3.49Å; E506-R508 PolarHBondContact O-N 3.15Å; E506-R508 VanDerWaalsContact O-N 3.15Å; E506-R508 WeakPolarHBondContact OE2-CD 3.4Å; E506-R508 IonicContact OE2-CZ 3.24Å; E506-R508 IonicContact OE2-NE 3.92Å; E506-R508 PolarHBondContact OE2-NE 3.02Å; E506-R508 IonicContact OE2-NH1 3.84Å; E506-R508 PolarHBondContact OE2-NH1 2.86Å; E506-C516 WeakPolarHBondContact OE2-CB 3.32Å; E506-K519 VanDerWaalsContact OE1-CD 3.27Å; E506-K519 WeakPolarHBondContact OE1-CD 3.11Å; E506-K519 WeakPolarHBondContact OE1-CE 3.14Å; E506-K519 IonicContact OE1-NZ 2.74Å; E506-K519 PolarHBondContact OE1-NZ 2.66Å; E506-K519 IonicContact OE2-NZ 2.77Å; E506-K519 PolarHBondContact OE2-NZ 3.15Å; E506-Y520 WeakPolarHBondContact OE1-CE2 3.43Å; E506-Y520 PolarHBondContact OE1-OH 2.65Å
507D86.8Confident87.5Confident157 Ų15743.4 Ų43.484%0.8422%0.22SC*.THydrogen-bonded Turntrans55.525.5-174.6-64-56.2000115.2A503 R504A503-D507 PolarHBondContact O-N 2.71Å; R504-D507 PolarHBondContact O-N 3.17Å
508R86.5Confident87.7Confident69 Ų6946.7 Ų46.726%0.2624%0.237SC..  trans-104.8137.4-178.3-69.5159.9177.9-139-15.8112.5A503 R504 E506 C513 E514A503-R508 CarbonylContact C-O 3.51Å; A503-R508 HydrophobicContact CB-CB 4.1Å; A503-R508 WeakPolarHBondContact CB-O 3.45Å; A503-R508 WeakPolarHBondContact O-CB 3.23Å; A503-R508 PolarHBondContact O-N 3.01Å; R504-R508 PolarHBondContact N-O 2.92Å; E506-R508 HydrophobicContact CB-CG 4.34Å; E506-R508 WeakPolarHBondContact O-CG 3.49Å; E506-R508 PolarHBondContact O-N 3.15Å; E506-R508 VanDerWaalsContact O-N 3.15Å; E506-R508 WeakPolarHBondContact OE2-CD 3.4Å; E506-R508 IonicContact OE2-CZ 3.24Å; E506-R508 IonicContact OE2-NE 3.92Å; E506-R508 PolarHBondContact OE2-NE 3.02Å; E506-R508 IonicContact OE2-NH1 3.84Å; E506-R508 PolarHBondContact OE2-NH1 2.86Å; R508-C513 PolarHBondContact NH1-O 3.22Å; R508-E514 IonicContact CZ-OE2 3.15Å; R508-E514 IonicContact NH1-OE2 2.67Å; R508-E514 PolarHBondContact NH1-OE2 3.14Å; R508-E514 IonicContact NH2-OE2 2.66Å; R508-E514 PolarHBondContact NH2-OE2 3.01Å
509P80Confident88.3Confident73 Ų7352.2 Ų52.247%0.47426%0.261SS..  trans-67.5159.7164.631-33.7000110.3D511 E512 C513P509-D511 PolarHBondContact O-N 2.84Å; P509-E512 HydrophobicContact CG-CB 3.99Å; P509-E512 HydrophobicContact CG-CG 4.29Å; P509-E512 CarbonylContact O-C 3.22Å; P509-E512 PolarHBondContact O-N 3.14Å; P509-C513 PolarHBondContact O-N 2.85Å; P509-C513 VanDerWaalsContact O-N 3.16Å
510K81.9Confident88.9Confident26 Ų2654.3 Ų54.311%0.11327%0.269CS..G310 helixtrans-53.6-39.8175.4165.3174.8165.9174.90111.4G324 A325 K361 C500 E512 C513G324-K510 WeakPolarHBondContact O-CB 3.36Å; G324-K510 VanDerWaalsContact O-CD 3.27Å; G324-K510 WeakPolarHBondContact O-CD 3.47Å; A325-K510 HydrophobicContact CB-CD 4.37Å; A325-K510 WeakPolarHBondContact O-CD 3.15Å; A325-K510 WeakPolarHBondContact O-CE 3.46Å; A325-K510 PolarHBondContact O-NZ 3.42Å; K361-K510 HydrophobicContact CD-CG 4.1Å; K361-K510 PolarHBondContact NZ-O 2.81Å; C500-K510 HydrophobicContact CB-CB 4.06Å; K510-E512 VanDerWaalsContact C-N 3.26Å; K510-E512 PolarHBondContact O-N 3.49Å; K510-C513 WeakPolarHBondContact O-CB 3.44Å; K510-C513 PolarHBondContact O-N 3.3Å; K510-C513 PolarHBondContact O-SG 2.64Å
511D81.6Confident88.8Confident126 Ų12656.6 Ų56.667%0.67428%0.284SS*.G310 helixtrans-72.3-23.1-169.6-67.2-39.6000113.6K361 P509K361-D511 PolarHBondContact NZ-O 3.4Å; K361-D511 IonicContact NZ-OD1 2.92Å; P509-D511 PolarHBondContact O-N 2.84Å
512E85.5Confident88.7Confident145 Ų14560 Ų6068%0.67830%0.302SS*.G310 helixtrans-111.422.4174.1-60.4169-167.400112.3P509 K510 E514P509-E512 HydrophobicContact CG-CB 3.99Å; P509-E512 HydrophobicContact CG-CG 4.29Å; P509-E512 CarbonylContact O-C 3.22Å; P509-E512 PolarHBondContact O-N 3.14Å; K510-E512 VanDerWaalsContact C-N 3.26Å; K510-E512 PolarHBondContact O-N 3.49Å; E512-E514 PolarHBondContact O-N 3.22Å
513C90.1Very high88.7Confident9 Ų960.8 Ų60.86%0.06131%0.31CS..  trans-65.2-12.6-174.869.70000115.4A503 R508 P509 K510 T515 C516A503-C513 HydrophobicContact CB-CB 3.62Å; R508-C513 PolarHBondContact NH1-O 3.22Å; P509-C513 PolarHBondContact O-N 2.85Å; P509-C513 VanDerWaalsContact O-N 3.16Å; K510-C513 WeakPolarHBondContact O-CB 3.44Å; K510-C513 PolarHBondContact O-N 3.3Å; K510-C513 PolarHBondContact O-SG 2.64Å; C513-T515 PolarHBondContact O-N 2.87Å; C513-T515 PolarHBondContact SG-N 3.01Å; C513-T515 VanDerWaalsContact SG-N 3.38Å; C513-C516 VanDerWaalsContact O-CB 3.26Å; C513-C516 WeakPolarHBondContact O-CB 3.5Å; C513-C516 PolarHBondContact O-N 3.49Å; C513-C516 PolarHBondContact O-SG 3.08Å
514E90.1Very high88.9Confident144 Ų14461.8 Ų61.867%0.67331%0.314SS*.THydrogen-bonded Turntrans50.418.5-171.3-53.5-178.9144.800114.2R508 E512 C516R508-E514 IonicContact CZ-OE2 3.15Å; R508-E514 IonicContact NH1-OE2 2.67Å; R508-E514 PolarHBondContact NH1-OE2 3.14Å; R508-E514 IonicContact NH2-OE2 2.66Å; R508-E514 PolarHBondContact NH2-OE2 3.01Å; E512-E514 PolarHBondContact O-N 3.22Å; E514-C516 VanDerWaalsContact C-N 3.26Å; E514-C516 PolarHBondContact O-N 3.02Å
515T91.7Very high89.3Confident35 Ų3563.4 Ų63.422%0.21533%0.326CS..THydrogen-bonded Turntrans58.430.7-169.371.20000114.7Y331 K361 C513 C517 I518Y331-T515 HydrophobicContact CE1-CG2 4.45Å; K361-T515 WeakPolarHBondContact O-CG2 3.47Å; C513-T515 PolarHBondContact O-N 2.87Å; C513-T515 PolarHBondContact SG-N 3.01Å; C513-T515 VanDerWaalsContact SG-N 3.38Å; T515-C517 PolarHBondContact O-N 2.86Å; T515-I518 PolarHBondContact O-N 2.85Å
516C91.8Very high89.6Confident3 Ų362.9 Ų62.92%0.0232%0.323CS..G310 helixtrans-43.4-28.7-176.3600000116.8T502 E506 C513 E514 I518 K519T502-C516 PolarHBondContact O-SG 2.86Å; E506-C516 WeakPolarHBondContact OE2-CB 3.32Å; C513-C516 VanDerWaalsContact O-CB 3.26Å; C513-C516 WeakPolarHBondContact O-CB 3.5Å; C513-C516 PolarHBondContact O-N 3.49Å; C513-C516 PolarHBondContact O-SG 3.08Å; E514-C516 VanDerWaalsContact C-N 3.26Å; E514-C516 PolarHBondContact O-N 3.02Å; C516-I518 PolarHBondContact O-N 3.06Å; C516-K519 WeakPolarHBondContact O-CB 3.37Å; C516-K519 WeakPolarHBondContact O-CG 2.99Å; C516-K519 PolarHBondContact O-N 2.67Å
517C92.4Very high89.9Confident9 Ų963.3 Ų63.36%0.06133%0.326CS..G310 helixtrans-51.5-13.6171.553.80000115.7R362 T502 T515 K519 Y520R362-C517 PolarHBondContact NE-SG 3.23Å; T502-C517 HydrophobicContact CG2-CB 3.79Å; T515-C517 PolarHBondContact O-N 2.86Å; C517-K519 VanDerWaalsContact C-N 3.26Å; C517-K519 PolarHBondContact O-N 3.2Å; C517-Y520 CarbonylContact O-C 2.9Å; C517-Y520 PolarHBondContact O-N 3.06Å; C517-Y520 VanDerWaalsContact O-N 3.15Å
518I91.7Very high90.4Very high70 Ų7055.9 Ų55.936%0.35929%0.286SS..G310 helixtrans-68.7-23.8172.3-152.7168.3000113Y331 P333 T515 C516 Y520Y331-I518 HydrophobicContact CD1-CB 3.44Å; Y331-I518 VanDerWaalsContact CD1-CB 3.44Å; Y331-I518 HydrophobicContact CD1-CD1 4.3Å; Y331-I518 HydrophobicContact CD1-CG1 3.9Å; Y331-I518 HydrophobicContact CE1-CB 3.74Å; Y331-I518 HydrophobicContact CE1-CD1 4Å; Y331-I518 HydrophobicContact CE1-CG1 4.1Å; Y331-I518 HydrophobicContact CG-CB 4.22Å; Y331-I518 HydrophobicContact CG-CG1 4.3Å; P333-I518 HydrophobicContact CG-CD1 4.43Å; T515-I518 PolarHBondContact O-N 2.85Å; C516-I518 PolarHBondContact O-N 3.06Å; I518-Y520 PolarHBondContact O-N 2.92Å
519K91.8Very high90.8Very high115 Ų11553.6 Ų53.650%0.528%0.278SS..G310 helixtrans-71.2-12.4173.2-54.8171.1-165.4167.90112.3E506 C516 C517 P521E506-K519 VanDerWaalsContact OE1-CD 3.27Å; E506-K519 WeakPolarHBondContact OE1-CD 3.11Å; E506-K519 WeakPolarHBondContact OE1-CE 3.14Å; E506-K519 IonicContact OE1-NZ 2.74Å; E506-K519 PolarHBondContact OE1-NZ 2.66Å; E506-K519 IonicContact OE2-NZ 2.77Å; E506-K519 PolarHBondContact OE2-NZ 3.15Å; C516-K519 WeakPolarHBondContact O-CB 3.37Å; C516-K519 WeakPolarHBondContact O-CG 2.99Å; C516-K519 PolarHBondContact O-N 2.67Å; C517-K519 VanDerWaalsContact C-N 3.26Å; C517-K519 PolarHBondContact O-N 3.2Å; K519-P521 VanDerWaalsContact C-CD 3.43Å; K519-P521 WeakPolarHBondContact O-CD 3.47Å
520Y92.8Very high91.5Very high48 Ų4854.3 Ų54.319%0.18828%0.275CS..  trans-125.467.2-168.5-58.3-67.4000109.9T502 E506 C517 I518 N522 G523 R524T502-Y520 HydrophobicContact CG2-CD2 3.58Å; T502-Y520 HydrophobicContact CG2-CE2 4.11Å; T502-Y520 HydrophobicContact CG2-CG 4.36Å; E506-Y520 WeakPolarHBondContact OE1-CE2 3.43Å; E506-Y520 PolarHBondContact OE1-OH 2.65Å; C517-Y520 CarbonylContact O-C 2.9Å; C517-Y520 PolarHBondContact O-N 3.06Å; C517-Y520 VanDerWaalsContact O-N 3.15Å; I518-Y520 PolarHBondContact O-N 2.92Å; Y520-N522 PolarHBondContact O-N 3.21Å; Y520-N522 VanDerWaalsContact O-N 3.14Å; Y520-G523 PolarHBondContact O-N 3.25Å; Y520-R524 HydrophobicContact CD1-CG 3.31Å; Y520-R524 HydrophobicContact CD2-CG 4.1Å; Y520-R524 HydrophobicContact CE1-CG 3.48Å; Y520-R524 VanDerWaalsContact CE1-CG 3.48Å; Y520-R524 HydrophobicContact CE2-CG 4.24Å; Y520-R524 HydrophobicContact CG-CG 3.64Å; Y520-R524 VanDerWaalsContact CZ-CD 3.46Å; Y520-R524 PolarHBondContact OH-NH1 3.17Å
521P87.6Confident92.2Very high65 Ų6558.5 Ų58.542%0.42230%0.299SS..THydrogen-bonded Turntrans-68.7-10.4-173.329.8-37.5000114.2W330 W332 K519W330-P521 VanDerWaalsContact CB-O 3.24Å; W330-P521 WeakPolarHBondContact CB-O 3.41Å; W332-P521 PolarHBondContact NE1-O 3.22Å; K519-P521 VanDerWaalsContact C-CD 3.43Å; K519-P521 WeakPolarHBondContact O-CD 3.47Å
522N88.6Confident92.8Very high72 Ų7255.7 Ų55.739%0.38528%0.282SS..THydrogen-bonded Turntrans-130.927.3164.8-77.7-43.2000111.4W330 Y520 Q569W330-N522 VanDerWaalsContact CE3-C 3.41Å; W330-N522 VanDerWaalsContact CH2-C 3.48Å; W330-N522 WeakPolarHBondContact CH2-O 3.45Å; W330-N522 PolarHBondContact NE1-OD1 3.17Å; Y520-N522 PolarHBondContact O-N 3.21Å; Y520-N522 VanDerWaalsContact O-N 3.14Å; N522-Q569 PolarHBondContact ND2-O 2.91Å; N522-Q569 WeakPolarHBondContact OD1-CA 3.4Å; N522-Q569 WeakPolarHBondContact OD1-CB 3.35Å; N522-Q569 PolarHBondContact OD1-O 2.98Å; N522-Q569 VanDerWaalsContact OD1-O 3.12Å
523G92.7Very high93.3Very high17 Ų1750.3 Ų50.318%0.17526%0.257CS..  trans81.5-164.5171.400000116.1Y520 L537Y520-G523 PolarHBondContact O-N 3.25Å; G523-L537 WeakPolarHBondContact CA-O 3.31Å
524R94.4Very high93.7Very high21 Ų2150 Ų508%0.07925%0.254CS..EExtended strand (participates in β ladder)trans-124.3127.5172.9-63.4178.880.8171.3-7.7109.9V238 D239 S505 Y520 V536 L537V238-R524 HydrophobicContact CG1-CB 4.2Å; D239-R524 IonicContact OD2-CZ 2.78Å; D239-R524 IonicContact OD2-NE 3.49Å; D239-R524 PolarHBondContact OD2-NE 2.92Å; D239-R524 IonicContact OD2-NH2 2.62Å; D239-R524 PolarHBondContact OD2-NH2 2.73Å; S505-R524 VanDerWaalsContact CB-NH1 3.25Å; S505-R524 VanDerWaalsContact O-CZ 3.31Å; S505-R524 PolarHBondContact O-NH1 3.36Å; S505-R524 PolarHBondContact O-NH2 2.79Å; S505-R524 VanDerWaalsContact O-NH2 3.09Å; S505-R524 PolarHBondContact OG-NH1 2.89Å; S505-R524 VanDerWaalsContact OG-NH1 3.07Å; Y520-R524 HydrophobicContact CD1-CG 3.31Å; Y520-R524 HydrophobicContact CD2-CG 4.1Å; Y520-R524 HydrophobicContact CE1-CG 3.48Å; Y520-R524 VanDerWaalsContact CE1-CG 3.48Å; Y520-R524 HydrophobicContact CE2-CG 4.24Å; Y520-R524 HydrophobicContact CG-CG 3.64Å; Y520-R524 VanDerWaalsContact CZ-CD 3.46Å; Y520-R524 PolarHBondContact OH-NH1 3.17Å; R524-V536 CarbonylContact O-C 3.33Å; R524-V536 WeakPolarHBondContact O-CA 3.41Å; R524-L537 HydrophobicContact CB-CB 4.39Å; R524-L537 PolarHBondContact N-O 3.44Å; R524-L537 PolarHBondContact O-N 2.99Å
525N95.7Very high94Very high82 Ų8243.1 Ų43.144%0.43922%0.222SC..EExtended strand (participates in β ladder)trans-70.5140.8179.4-73.3-29.6000111.5L527 Q533N525-L527 HydrophobicContact CB-CD2 4.37Å; N525-Q533 PolarHBondContact OD1-NE2 2.78Å
526V96.6Very high94.2Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-117.5105.9175.5-172.70000107.5Y236 V238 A245 V534 F535 L537Y236-V526 VanDerWaalsContact CB-CG1 3.41Å; Y236-V526 HydrophobicContact CD1-CG1 3.89Å; Y236-V526 HydrophobicContact CD2-CG1 4.12Å; Y236-V526 HydrophobicContact CG-CG1 3.54Å; V238-V526 HydrophobicContact CG2-CG1 4.46Å; V238-V526 HydrophobicContact CG2-CG2 4.24Å; A245-V526 HydrophobicContact CB-CG1 4.28Å; V526-V534 PolarHBondContact O-N 3.31Å; V526-F535 HydrophobicContact CB-CB 4.02Å; V526-F535 WeakPolarHBondContact CB-O 3.27Å; V526-F535 HydrophobicContact CG1-CD2 4.46Å; V526-F535 HydrophobicContact CG2-CB 4.18Å; V526-F535 PolarHBondContact N-O 2.93Å; V526-F535 PolarHBondContact O-N 3.4Å; V526-L537 HydrophobicContact CG2-CD1 4.05Å; V526-L537 HydrophobicContact CG2-CD2 3.58Å; V526-L537 HydrophobicContact CG2-CG 3.44Å; V526-L537 VanDerWaalsContact CG2-CG 3.44Å
527L97.5Very high94.4Very high44 Ų4441.3 Ų41.323%0.2321%0.211CC..EExtended strand (participates in β ladder)trans-96.5151.3178.8-42.5179.8000110.8Y236 L237 N525 N531 Q532 Q533Y236-L527 WeakPolarHBondContact CA-O 3.42Å; Y236-L527 WeakPolarHBondContact CB-O 2.96Å; L237-L527 HydrophobicContact CB-CB 4.22Å; L237-L527 PolarHBondContact N-O 3.22Å; L237-L527 PolarHBondContact O-N 3.27Å; N525-L527 HydrophobicContact CB-CD2 4.37Å; L527-N531 HydrophobicContact CD1-CB 4.28Å; L527-Q532 CarbonylContact C-O 3.19Å; L527-Q532 WeakPolarHBondContact CA-O 3.47Å; L527-Q533 HydrophobicContact CD2-CB 4.16Å
528S96.7Very high94.4Very high0 Ų041 Ų410%021%0.209CC..  trans-62.8167.9162.876.80000110.3E530 N531 Q532S528-E530 PolarHBondContact O-N 3.25Å; S528-E530 PolarHBondContact OG-N 2.69Å; S528-E530 VanDerWaalsContact OG-N 3.14Å; S528-N531 PolarHBondContact O-N 3.13Å; S528-Q532 PolarHBondContact N-O 3.09Å; S528-Q532 WeakPolarHBondContact OG-CB 3.24Å; S528-Q532 PolarHBondContact OG-N 2.82Å
529Q95.9Very high94.4Very high21 Ų2137.8 Ų37.810%0.09819%0.193CC..THydrogen-bonded Turntrans-6913.6171.6-57.8176.348.900113.2L216 D218 R235 R242L216-Q529 HydrophobicContact CD2-CB 3.84Å; L216-Q529 HydrophobicContact CG-CB 4.5Å; D218-Q529 PolarHBondContact OD1-NE2 3.46Å; R235-Q529 WeakPolarHBondContact O-CG 3.32Å; R235-Q529 PolarHBondContact O-NE2 3.22Å; R242-Q529 VanDerWaalsContact CD-OE1 3.29Å; R242-Q529 HydrophobicContact CG-CG 4.27Å
530E95.5Very high94.2Very high88 Ų8832.4 Ų32.441%0.41117%0.17SC..THydrogen-bonded Turntrans-122.59.9174.1-62.7173131.100112R211 L216 S528 Q532R211-E530 IonicContact CZ-OE1 3.4Å; R211-E530 IonicContact CZ-OE2 3.52Å; R211-E530 IonicContact NH1-OE1 2.8Å; R211-E530 PolarHBondContact NH1-OE1 3.47Å; R211-E530 IonicContact NH1-OE2 3.42Å; R211-E530 PolarHBondContact NH1-OE2 2.96Å; R211-E530 VanDerWaalsContact NH2-CD 3.34Å; R211-E530 IonicContact NH2-OE1 3.71Å; R211-E530 PolarHBondContact NH2-OE1 2.9Å; R211-E530 IonicContact NH2-OE2 3.93Å; R211-E530 PolarHBondContact NH2-OE2 3.41Å; L216-E530 HydrophobicContact CB-CG 4.39Å; L216-E530 WeakPolarHBondContact CB-OE2 3.37Å; L216-E530 HydrophobicContact CD2-CG 3.9Å; S528-E530 PolarHBondContact O-N 3.25Å; S528-E530 PolarHBondContact OG-N 2.69Å; S528-E530 VanDerWaalsContact OG-N 3.14Å; E530-Q532 VanDerWaalsContact C-N 3.27Å; E530-Q532 PolarHBondContact O-N 3.41Å
531N94.8Very high94.2Very high115 Ų11530.1 Ų30.162%0.61516%0.161SC*.SBendtrans67.214.2-176.4-49.7-80.4000115.6L527 S528 Q533L527-N531 HydrophobicContact CD1-CB 4.28Å; S528-N531 PolarHBondContact O-N 3.13Å; N531-Q533 PolarHBondContact O-N 2.96Å
532Q95.7Very high94.6Very high67 Ų6727 Ų2731%0.31314%0.141SC..  trans-71.3127170.1-173.9-175.114.800109.5L527 S528 E530 V534L527-Q532 CarbonylContact C-O 3.19Å; L527-Q532 WeakPolarHBondContact CA-O 3.47Å; S528-Q532 PolarHBondContact N-O 3.09Å; S528-Q532 WeakPolarHBondContact OG-CB 3.24Å; S528-Q532 PolarHBondContact OG-N 2.82Å; E530-Q532 VanDerWaalsContact C-N 3.27Å; E530-Q532 PolarHBondContact O-N 3.41Å; Q532-V534 WeakPolarHBondContact O-CG2 3.19Å; Q532-V534 PolarHBondContact O-N 3.02Å
533Q96.5Very high94.9Very high31 Ų3123.6 Ų23.615%0.14512%0.123CC..EExtended strand (participates in β ladder)trans-65118.6173.4173.471.6-10.800110N525 L527 N531 G545 Y546N525-Q533 PolarHBondContact OD1-NE2 2.78Å; L527-Q533 HydrophobicContact CD2-CB 4.16Å; N531-Q533 PolarHBondContact O-N 2.96Å; Q533-G545 WeakPolarHBondContact CG-O 3.08Å; Q533-G545 PolarHBondContact NE2-O 2.95Å; Q533-Y546 HydrophobicContact CB-CE1 3.81Å; Q533-Y546 HydrophobicContact CG-CD1 4.16Å; Q533-Y546 HydrophobicContact CG-CE1 3.92Å
534V96.5Very high95.1Very high2 Ų222.8 Ų22.81%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-109.3-52.7-177.1-165.30000111.1Y181 L182 V215 Y236 V526 Q532 G545Y181-V534 VanDerWaalsContact CE1-O 3.23Å; Y181-V534 WeakPolarHBondContact CE1-O 3.41Å; L182-V534 HydrophobicContact CD1-CG1 3.99Å; V215-V534 HydrophobicContact CG1-CG2 4.17Å; Y236-V534 HydrophobicContact CE1-CG2 4.35Å; V526-V534 PolarHBondContact O-N 3.31Å; Q532-V534 WeakPolarHBondContact O-CG2 3.19Å; Q532-V534 PolarHBondContact O-N 3.02Å; V534-G545 WeakPolarHBondContact O-CA 3.19Å; V534-G545 PolarHBondContact O-N 2.92Å
535F97.3Very high95.2Very high0 Ų022 Ų220%011%0.112CC..EExtended strand (participates in β ladder)trans-141.4165.6-175.5-53.9-60.6000112.1L178 Y181 L182 L231 L494 V526 T542 M543L178-F535 HydrophobicContact CB-CE1 4.36Å; L178-F535 HydrophobicContact CB-CZ 4.23Å; L178-F535 HydrophobicContact CD2-CD1 4.08Å; L178-F535 HydrophobicContact CD2-CE1 3.59Å; L178-F535 HydrophobicContact CD2-CZ 3.99Å; L178-F535 HydrophobicContact CG-CE1 4.5Å; Y181-F535 HydrophobicContact CD1-CD1 4.34Å; Y181-F535 AromaticContact CD1-CE1 3.9Å; Y181-F535 HydrophobicContact CD1-CE1 3.9Å; Y181-F535 HydrophobicContact CE1-CD1 4.41Å; Y181-F535 HydrophobicContact CE1-CE1 4.34Å; L182-F535 HydrophobicContact CD1-CE1 4.17Å; L182-F535 HydrophobicContact CD1-CZ 4.09Å; L231-F535 HydrophobicContact CB-CE2 4.49Å; L231-F535 HydrophobicContact CB-CZ 4.25Å; L231-F535 HydrophobicContact CD1-CZ 4.35Å; L231-F535 HydrophobicContact CD2-CE2 4.44Å; L231-F535 HydrophobicContact CD2-CZ 4.15Å; L231-F535 HydrophobicContact CG-CZ 4.49Å; L494-F535 HydrophobicContact CD1-CD1 4.1Å; L494-F535 HydrophobicContact CD1-CE1 4.12Å; V526-F535 HydrophobicContact CB-CB 4.02Å; V526-F535 WeakPolarHBondContact CB-O 3.27Å; V526-F535 HydrophobicContact CG1-CD2 4.46Å; V526-F535 HydrophobicContact CG2-CB 4.18Å; V526-F535 PolarHBondContact N-O 2.93Å; V526-F535 PolarHBondContact O-N 3.4Å; F535-T542 HydrophobicContact CB-CG2 3.49Å; F535-T542 VanDerWaalsContact CB-CG2 3.49Å; F535-T542 HydrophobicContact CD1-CG2 3.58Å; F535-T542 HydrophobicContact CD2-CG2 3.59Å; F535-T542 HydrophobicContact CE1-CG2 4.14Å; F535-T542 HydrophobicContact CE2-CG2 4.15Å; F535-T542 HydrophobicContact CG-CG2 3.27Å; F535-T542 HydrophobicContact CZ-CG2 4.4Å; F535-M543 WeakPolarHBondContact CA-O 3.39Å; F535-M543 VanDerWaalsContact CB-O 3.32Å; F535-M543 WeakPolarHBondContact CB-O 3.42Å; F535-M543 WeakPolarHBondContact CD1-O 3.43Å
536V96.2Very high95.2Very high0 Ų018.8 Ų18.80%09%0.094CC..EExtended strand (participates in β ladder)trans-116.5135.5162.5-168.80000109.6W330 R524 M543W330-V536 HydrophobicContact CH2-CB 4.34Å; W330-V536 HydrophobicContact CH2-CG1 3.64Å; W330-V536 HydrophobicContact CZ3-CG1 4.12Å; R524-V536 CarbonylContact O-C 3.33Å; R524-V536 WeakPolarHBondContact O-CA 3.41Å; V536-M543 HydrophobicContact CB-CB 4.35Å; V536-M543 PolarHBondContact N-O 3.4Å; V536-M543 VanDerWaalsContact N-O 3.1Å; V536-M543 PolarHBondContact O-N 2.93Å
537L94.7Very high95.1Very high0 Ų019.4 Ų19.40%010%0.098CC..EExtended strand (participates in β ladder)trans-88.3124.3173.9-55.4-177.6000110.5L246 F501 T502 G523 R524 V526 Q541L246-L537 HydrophobicContact CD2-CD2 3.55Å; F501-L537 HydrophobicContact CB-CB 4.48Å; F501-L537 HydrophobicContact CB-CD1 3.99Å; F501-L537 HydrophobicContact CB-CD2 3.82Å; F501-L537 HydrophobicContact CB-CG 4.3Å; F501-L537 HydrophobicContact CD2-CD2 4.48Å; F501-L537 HydrophobicContact CG-CD2 4.45Å; T502-L537 PolarHBondContact OG1-O 2.96Å; G523-L537 WeakPolarHBondContact CA-O 3.31Å; R524-L537 HydrophobicContact CB-CB 4.39Å; R524-L537 PolarHBondContact N-O 3.44Å; R524-L537 PolarHBondContact O-N 2.99Å; V526-L537 HydrophobicContact CG2-CD1 4.05Å; V526-L537 HydrophobicContact CG2-CD2 3.58Å; V526-L537 HydrophobicContact CG2-CG 3.44Å; V526-L537 VanDerWaalsContact CG2-CG 3.44Å; L537-Q541 WeakPolarHBondContact CA-O 3.49Å
538N92.5Very high95Very high2 Ų217.5 Ų17.51%0.0119%0.088CC..EExtended strand (participates in β ladder)trans-132.198.4175.7170.136.9000111.6H327 L328 L329 W330 R362 I540 Q541 M543H327-N538 PolarHBondContact CD2-ND2 3.13Å; H327-N538 PolarHBondContact NE2-ND2 2.81Å; L328-N538 PolarHBondContact O-ND2 3.04Å; L329-N538 VanDerWaalsContact C-ND2 3.28Å; L329-N538 WeakPolarHBondContact CA-ND2 3.48Å; L329-N538 PolarHBondContact O-ND2 2.83Å; L329-N538 PolarHBondContact O-OD1 3.36Å; L329-N538 VanDerWaalsContact O-OD1 3.1Å; W330-N538 HydrophobicContact CE3-CB 4.26Å; W330-N538 HydrophobicContact CH2-CB 4.39Å; W330-N538 HydrophobicContact CZ3-CB 3.68Å; R362-N538 PolarHBondContact NH2-OD1 3.09Å; N538-I540 VanDerWaalsContact C-N 3.32Å; N538-I540 PolarHBondContact O-N 3Å; N538-Q541 HydrophobicContact CB-CB 4.36Å; N538-Q541 PolarHBondContact N-O 2.86Å; N538-Q541 VanDerWaalsContact N-O 3.17Å; N538-Q541 PolarHBondContact O-N 2.92Å; N538-M543 HydrophobicContact CB-SD 3.28Å; N538-M543 WeakPolarHBondContact CB-SD 3.48Å
539G91.4Very high94.9Very high3 Ų317.6 Ų17.63%0.0319%0.088CC..THydrogen-bonded Turntrans60-97.1-172.800000109.3C500 F501 T502C500-G539 CarbonylContact C-O 3.47Å; C500-G539 VanDerWaalsContact C-O 3.22Å; C500-G539 VanDerWaalsContact CA-O 3.27Å; C500-G539 WeakPolarHBondContact CA-O 3.27Å; C500-G539 VanDerWaalsContact SG-C 3.59Å; C500-G539 PolarHBondContact SG-O 2.74Å; F501-G539 PolarHBondContact N-O 3.02Å; T502-G539 PolarHBondContact N-O 2.87Å; T502-G539 PolarHBondContact OG1-N 3.27Å; T502-G539 PolarHBondContact OG1-O 3.47Å
540I89.5Confident94.9Very high2 Ų216.6 Ų16.61%0.018%0.083CC..THydrogen-bonded Turntrans-112.7-3.4178.972.257000114A325 Y326 H327 Y496 S497 R499 C500 F501 N538A325-I540 VanDerWaalsContact C-CG2 3.47Å; A325-I540 VanDerWaalsContact N-CG2 3.29Å; Y326-I540 VanDerWaalsContact C-CG1 3.46Å; Y326-I540 HydrophobicContact CD1-CD1 4.1Å; Y326-I540 HydrophobicContact CD1-CG1 4.12Å; Y326-I540 WeakPolarHBondContact O-CG1 3.32Å; H327-I540 HydrophobicContact CB-CD1 4.16Å; Y496-I540 HydrophobicContact CD1-CD1 4.43Å; S497-I540 WeakPolarHBondContact CB-O 3.32Å; S497-I540 PolarHBondContact N-O 3.44Å; S497-I540 WeakPolarHBondContact O-CB 3.2Å; S497-I540 VanDerWaalsContact O-CD1 3.25Å; S497-I540 WeakPolarHBondContact O-CD1 3.35Å; S497-I540 WeakPolarHBondContact O-CG1 3.31Å; R499-I540 VanDerWaalsContact C-CG2 3.49Å; R499-I540 WeakPolarHBondContact O-CA 3.17Å; R499-I540 WeakPolarHBondContact O-CB 3.05Å; R499-I540 VanDerWaalsContact O-CG2 3.31Å; R499-I540 WeakPolarHBondContact O-CG2 3.48Å; C500-I540 HydrophobicContact CB-CG2 3.76Å; F501-I540 VanDerWaalsContact CD2-O 3.3Å; F501-I540 WeakPolarHBondContact CD2-O 3.38Å; F501-I540 VanDerWaalsContact CE2-O 3.24Å; F501-I540 WeakPolarHBondContact CE2-O 3.49Å; N538-I540 VanDerWaalsContact C-N 3.32Å; N538-I540 PolarHBondContact O-N 3Å
541Q91.7Very high94.7Very high0 Ų012.4 Ų12.40%06%0.064CC..EExtended strand (participates in β ladder)trans-80.1149.5176.7-84.4-151.4-25.300111.5H327 P493 A495 Y496 L537 N538 M543H327-Q541 HydrophobicContact CB-CG 3.61Å; H327-Q541 WeakPolarHBondContact CD2-CG 3.03Å; H327-Q541 PolarHBondContact CD2-OE1 3.18Å; H327-Q541 PolarHBondContact ND1-NE2 3.33Å; H327-Q541 PolarHBondContact NE2-OE1 3.33Å; H327-Q541 VanDerWaalsContact NE2-OE1 3.16Å; P493-Q541 VanDerWaalsContact CA-OE1 3.29Å; A495-Q541 WeakPolarHBondContact O-CA 3.4Å; A495-Q541 WeakPolarHBondContact O-CG 3.4Å; Y496-Q541 HydrophobicContact CD1-CG 4.28Å; Y496-Q541 VanDerWaalsContact CZ-NE2 3.31Å; L537-Q541 WeakPolarHBondContact CA-O 3.49Å; N538-Q541 HydrophobicContact CB-CB 4.36Å; N538-Q541 PolarHBondContact N-O 2.86Å; N538-Q541 VanDerWaalsContact N-O 3.17Å; N538-Q541 PolarHBondContact O-N 2.92Å; Q541-M543 HydrophobicContact CB-CG 4Å
542T95.3Very high94.7Very high0 Ų09.2 Ų9.20%05%0.047CC..EExtended strand (participates in β ladder)trans-103.6116.7150.9-46.30000106L178 L246 L494 A495 F535L178-T542 HydrophobicContact CD1-CG2 4.3Å; L178-T542 HydrophobicContact CD2-CG2 3.52Å; L246-T542 HydrophobicContact CD1-CG2 4.04Å; L246-T542 HydrophobicContact CD2-CG2 4.26Å; L246-T542 WeakPolarHBondContact CD2-OG1 3.41Å; L494-T542 WeakPolarHBondContact CB-O 3.33Å; L494-T542 PolarHBondContact N-O 3.3Å; A495-T542 PolarHBondContact N-O 3.4Å; A495-T542 PolarHBondContact O-N 3.04Å; F535-T542 HydrophobicContact CB-CG2 3.49Å; F535-T542 VanDerWaalsContact CB-CG2 3.49Å; F535-T542 HydrophobicContact CD1-CG2 3.58Å; F535-T542 HydrophobicContact CD2-CG2 3.59Å; F535-T542 HydrophobicContact CE1-CG2 4.14Å; F535-T542 HydrophobicContact CE2-CG2 4.15Å; F535-T542 HydrophobicContact CG-CG2 3.27Å; F535-T542 HydrophobicContact CZ-CG2 4.4Å
543M95.6Very high94.7Very high1 Ų16.4 Ų6.41%0.0053%0.034CC..EExtended strand (participates in β ladder)trans-103.4166.7178-69.8160.356.100110.7L329 W330 H491 L492 F535 V536 N538 Q541 G545L329-M543 HydrophobicContact CB-CE 4.42Å; L329-M543 HydrophobicContact CD2-CE 3.4Å; L329-M543 HydrophobicContact CD2-CG 4.12Å; L329-M543 HydrophobicContact CD2-SD 3.59Å; L329-M543 VanDerWaalsContact CD2-SD 3.59Å; L329-M543 HydrophobicContact CG-CE 4.46Å; W330-M543 HydrophobicContact CH2-CE 3.3Å; W330-M543 HydrophobicContact CH2-SD 3.78Å; W330-M543 HydrophobicContact CZ2-CE 3.33Å; W330-M543 HydrophobicContact CZ2-SD 4.34Å; W330-M543 HydrophobicContact CZ3-CE 4.2Å; W330-M543 HydrophobicContact CZ3-SD 4.19Å; H491-M543 HydrophobicContact CB-CB 4.39Å; H491-M543 HydrophobicContact CB-CE 3.3Å; L492-M543 CarbonylContact O-C 3.54Å; L492-M543 WeakPolarHBondContact O-CA 3.48Å; L492-M543 WeakPolarHBondContact O-CB 3.36Å; F535-M543 WeakPolarHBondContact CA-O 3.39Å; F535-M543 VanDerWaalsContact CB-O 3.32Å; F535-M543 WeakPolarHBondContact CB-O 3.42Å; F535-M543 WeakPolarHBondContact CD1-O 3.43Å; V536-M543 HydrophobicContact CB-CB 4.35Å; V536-M543 PolarHBondContact N-O 3.4Å; V536-M543 VanDerWaalsContact N-O 3.1Å; V536-M543 PolarHBondContact O-N 2.93Å; N538-M543 HydrophobicContact CB-SD 3.28Å; N538-M543 WeakPolarHBondContact CB-SD 3.48Å; Q541-M543 HydrophobicContact CB-CG 4Å; M543-G545 PolarHBondContact O-N 3.22Å
544S97.8Very high94.5Very high0 Ų05.6 Ų5.60%03%0.03CC..EExtended strand (participates in β ladder)trans-59.3137.8173.4580000111H491 L492 Y546H491-S544 PolarHBondContact ND1-O 2.93Å; L492-S544 PolarHBondContact N-OG 3.05Å; L492-S544 PolarHBondContact O-N 2.88Å; S544-Y546 WeakPolarHBondContact CB-O 3.28Å; S544-Y546 PolarHBondContact O-N 3Å; S544-Y546 PolarHBondContact OG-O 3.01Å
545G96Very high94.3Very high3 Ų37.9 Ų7.93%0.0315%0.049CC..SBendtrans-62.6-32.5174.200000112.7Y181 H491 Q533 V534 M543Y181-G545 PolarHBondContact OH-N 2.91Å; Y181-G545 VanDerWaalsContact OH-N 3.15Å; H491-G545 PolarHBondContact CE1-O 3.46Å; H491-G545 VanDerWaalsContact CE1-O 3.32Å; Q533-G545 WeakPolarHBondContact CG-O 3.08Å; Q533-G545 PolarHBondContact NE2-O 2.95Å; V534-G545 WeakPolarHBondContact O-CA 3.19Å; V534-G545 PolarHBondContact O-N 2.92Å; M543-G545 PolarHBondContact O-N 3.22Å
546Y96.1Very high94.1Very high16 Ų169.3 Ų9.36%0.0636%0.059CC..SBendtrans-101.1157.6176.7-56-48.8000111.9Y181 H491 Q533 S544 N595 S596 C598 L608Y181-Y546 WeakPolarHBondContact OH-CD2 3.38Å; Y181-Y546 PolarHBondContact OH-N 2.87Å; H491-Y546 PolarHBondContact ND1-O 3.26Å; Q533-Y546 HydrophobicContact CB-CE1 3.81Å; Q533-Y546 HydrophobicContact CG-CD1 4.16Å; Q533-Y546 HydrophobicContact CG-CE1 3.92Å; S544-Y546 WeakPolarHBondContact CB-O 3.28Å; S544-Y546 PolarHBondContact O-N 3Å; S544-Y546 PolarHBondContact OG-O 3.01Å; Y546-N595 WeakPolarHBondContact CD1-O 3.4Å; Y546-N595 VanDerWaalsContact CE1-C 3.42Å; Y546-N595 HydrophobicContact CE1-CB 4.2Å; Y546-N595 VanDerWaalsContact CE1-O 3.22Å; Y546-N595 WeakPolarHBondContact CE1-O 3.33Å; Y546-S596 WeakPolarHBondContact CA-O 3.42Å; Y546-S596 WeakPolarHBondContact CB-O 3.12Å; Y546-C598 HydrophobicContact CD2-CB 4.45Å; Y546-L608 HydrophobicContact CD2-CB 4.29Å; Y546-L608 HydrophobicContact CE2-CB 4.4Å
547V94.7Very high94.1Very high13 Ų139.6 Ų9.68%0.0796%0.061CC..EExtended strand (participates in β ladder)trans-75120.3172.1176.40000108Y489 N549 S596 D597 C598Y489-V547 HydrophobicContact CD2-CG1 4.07Å; Y489-V547 HydrophobicContact CE1-CG1 4.45Å; Y489-V547 HydrophobicContact CE2-CG1 3.54Å; V547-N549 PolarHBondContact O-N 3.3Å; V547-S596 PolarHBondContact N-O 2.93Å; V547-D597 CarbonylContact O-C 2.81Å; V547-D597 WeakPolarHBondContact O-CA 3.5Å; V547-C598 PolarHBondContact O-N 2.85Å
548Y95.5Very high94Very high4 Ų415.1 Ų15.12%0.0169%0.087CC..EExtended strand (participates in β ladder)trans-71.1133.2170.7-169.2-121000108.8L487 Y489 G490 L492 L550 C598 Y601 W602L487-Y548 WeakPolarHBondContact O-CD1 3.29Å; L487-Y548 VanDerWaalsContact O-CE1 3.31Å; L487-Y548 WeakPolarHBondContact O-CE1 3.31Å; Y489-Y548 CarbonylContact C-O 3.5Å; Y489-Y548 WeakPolarHBondContact CA-O 3.36Å; G490-Y548 PolarHBondContact N-O 2.98Å; G490-Y548 WeakPolarHBondContact O-CB 3.38Å; G490-Y548 PolarHBondContact O-N 3.16Å; L492-Y548 HydrophobicContact CD1-CD1 4.31Å; L492-Y548 HydrophobicContact CD1-CD2 3.88Å; L492-Y548 HydrophobicContact CD1-CE2 4.29Å; L492-Y548 HydrophobicContact CD1-CG 3.85Å; L492-Y548 HydrophobicContact CD2-CD1 3.63Å; L492-Y548 HydrophobicContact CD2-CE1 4.28Å; L492-Y548 HydrophobicContact CD2-CG 3.77Å; L492-Y548 HydrophobicContact CG-CD1 4.31Å; L492-Y548 HydrophobicContact CG-CD2 4.45Å; L492-Y548 HydrophobicContact CG-CG 3.95Å; Y548-L550 HydrophobicContact CD1-CD1 4.36Å; Y548-L550 HydrophobicContact CD1-CD2 4.32Å; Y548-L550 HydrophobicContact CD1-CG 3.99Å; Y548-L550 HydrophobicContact CD2-CD2 4.45Å; Y548-L550 HydrophobicContact CE1-CD1 3.51Å; Y548-L550 HydrophobicContact CE1-CD2 3.81Å; Y548-L550 HydrophobicContact CE1-CG 3.55Å; Y548-L550 HydrophobicContact CE2-CD2 3.93Å; Y548-C598 CarbonylContact C-O 3.53Å; Y548-C598 VanDerWaalsContact CA-O 3.3Å; Y548-C598 WeakPolarHBondContact CA-O 3.14Å; Y548-C598 WeakPolarHBondContact CD2-O 3.26Å; Y548-Y601 HydrophobicContact CE2-CD2 4.44Å; Y548-W602 PolarHBondContact OH-N 3.22Å; Y548-W602 VanDerWaalsContact OH-N 3.12Å
549N94.8Very high94Very high2 Ų218.1 Ų18.11%0.01112%0.118CC..EExtended strand (participates in β ladder)trans-143.999-173.1-170.9-12.1000110.7Y489 V547 G551 L592 D597 C598Y489-N549 HydrophobicContact CD2-CB 4.3Å; V547-N549 PolarHBondContact O-N 3.3Å; N549-G551 PolarHBondContact OD1-N 2.96Å; N549-G551 VanDerWaalsContact OD1-N 3.08Å; N549-L592 HydrophobicContact CB-CD2 3.79Å; N549-D597 HydrophobicContact CB-CB 4.19Å; N549-D597 VanDerWaalsContact CB-OD1 3.25Å; N549-D597 WeakPolarHBondContact CB-OD1 3.32Å; N549-D597 PolarHBondContact ND2-OD1 2.84Å; N549-C598 PolarHBondContact N-O 3.35Å
550L94.8Very high94.3Very high0 Ų019.2 Ų19.20%012%0.123CC..  trans-97.320176.7-53.9-169.6000112.3V486 S488 Y548 N552 E553 M557 N599 W602V486-L550 HydrophobicContact CG1-CD1 4.08Å; S488-L550 PolarHBondContact O-N 3.26Å; Y548-L550 HydrophobicContact CD1-CD1 4.36Å; Y548-L550 HydrophobicContact CD1-CD2 4.32Å; Y548-L550 HydrophobicContact CD1-CG 3.99Å; Y548-L550 HydrophobicContact CD2-CD2 4.45Å; Y548-L550 HydrophobicContact CE1-CD1 3.51Å; Y548-L550 HydrophobicContact CE1-CD2 3.81Å; Y548-L550 HydrophobicContact CE1-CG 3.55Å; Y548-L550 HydrophobicContact CE2-CD2 3.93Å; L550-N552 PolarHBondContact O-N 3.16Å; L550-N552 VanDerWaalsContact O-N 3.14Å; L550-E553 HydrophobicContact CB-CB 4.05Å; L550-E553 HydrophobicContact CB-CG 3.99Å; L550-E553 HydrophobicContact CD2-CG 4.01Å; L550-E553 WeakPolarHBondContact O-CB 3.32Å; L550-E553 PolarHBondContact O-N 2.77Å; L550-M557 HydrophobicContact CB-CE 3.74Å; L550-M557 HydrophobicContact CD1-CE 3.54Å; L550-M557 HydrophobicContact CG-CE 4.32Å; L550-N599 HydrophobicContact CD2-CB 3.75Å; L550-W602 HydrophobicContact CD1-CB 4.1Å; L550-W602 HydrophobicContact CD1-CD2 3.9Å; L550-W602 HydrophobicContact CD1-CE3 3.86Å; L550-W602 HydrophobicContact CD1-CG 4.05Å; L550-W602 HydrophobicContact CD2-CB 3.68Å; L550-W602 HydrophobicContact CD2-CG 4.09Å
551G92.2Very high94.7Very high0 Ų019.9 Ų19.90%013%0.127CC..THydrogen-bonded Turntrans-58.4-27.7-179.500000113.6N549 L554 F580 N583N549-G551 PolarHBondContact OD1-N 2.96Å; N549-G551 VanDerWaalsContact OD1-N 3.08Å; G551-L554 WeakPolarHBondContact O-CG 3.45Å; G551-F580 VanDerWaalsContact N-CZ 3.3Å; G551-N583 PolarHBondContact O-ND2 3.2Å
552N94.4Very high94.9Very high47 Ų4724.1 Ų24.125%0.25115%0.149SC..THydrogen-bonded Turntrans-87.8-6.1175.9-67.5-7.3000113.8L550 P589 P590 L592L550-N552 PolarHBondContact O-N 3.16Å; L550-N552 VanDerWaalsContact O-N 3.14Å; N552-P589 WeakPolarHBondContact OD1-CA 3.37Å; N552-P589 WeakPolarHBondContact OD1-CB 3.33Å; N552-P590 PolarHBondContact ND2-O 3.06Å; N552-P590 VanDerWaalsContact ND2-O 3.16Å; N552-P590 WeakPolarHBondContact OD1-CD 3.44Å; N552-P590 PolarHBondContact OD1-O 2.94Å; N552-L592 HydrophobicContact CB-CD1 4.36Å; N552-L592 WeakPolarHBondContact ND2-CD1 3.39Å
553E94.5Very high94.9Very high9 Ų925.2 Ų25.24%0.04216%0.156CC..  trans-97.4-5.5-175.6-56-63.1154.400113.6L550 A555 S556 M557 N599 W602 R603L550-E553 HydrophobicContact CB-CB 4.05Å; L550-E553 HydrophobicContact CB-CG 3.99Å; L550-E553 HydrophobicContact CD2-CG 4.01Å; L550-E553 WeakPolarHBondContact O-CB 3.32Å; L550-E553 PolarHBondContact O-N 2.77Å; E553-A555 VanDerWaalsContact C-N 3.31Å; E553-A555 PolarHBondContact O-N 3.39Å; E553-S556 VanDerWaalsContact O-CA 3.31Å; E553-S556 WeakPolarHBondContact O-CA 3.23Å; E553-S556 VanDerWaalsContact O-CB 3.23Å; E553-S556 WeakPolarHBondContact O-CB 3.33Å; E553-S556 PolarHBondContact O-N 2.8Å; E553-S556 PolarHBondContact O-OG 3.13Å; E553-M557 HydrophobicContact CB-CE 4.16Å; E553-M557 PolarHBondContact O-N 2.69Å; E553-N599 PolarHBondContact OE1-ND2 2.83Å; E553-W602 VanDerWaalsContact CD-CD1 3.45Å; E553-W602 VanDerWaalsContact CG-CD1 3.49Å; E553-W602 HydrophobicContact CG-CG 4.3Å; E553-W602 PolarHBondContact OE2-NE1 2.96Å; E553-R603 VanDerWaalsContact CD-NE 3.31Å; E553-R603 IonicContact OE1-CZ 3.17Å; E553-R603 IonicContact OE1-NE 3.91Å; E553-R603 PolarHBondContact OE1-NE 3.19Å; E553-R603 IonicContact OE1-NH2 2.69Å; E553-R603 PolarHBondContact OE1-NH2 3.23Å; E553-R603 IonicContact OE2-CZ 3.94Å; E553-R603 IonicContact OE2-NE 2.58Å; E553-R603 PolarHBondContact OE2-NE 3.26Å; E553-R603 VanDerWaalsContact OE2-NE 3.11Å; E553-R603 IonicContact OE2-NH2 3.25Å; E553-R603 PolarHBondContact OE2-NH2 2.81Å
554L93.3Very high94.8Very high13 Ų1327.7 Ų27.77%0.06817%0.171CC..Hα-helixtrans-57.5-40.4-170-57.1178.1000112.8G551 S556 M557 V564 F580 N583G551-L554 WeakPolarHBondContact O-CG 3.45Å; L554-S556 PolarHBondContact O-N 2.9Å; L554-M557 HydrophobicContact CD2-SD 3.91Å; L554-M557 WeakPolarHBondContact O-CB 3.32Å; L554-M557 PolarHBondContact O-N 2.62Å; L554-V564 HydrophobicContact CD2-CG1 3.81Å; L554-V564 HydrophobicContact CD2-CG2 4.13Å; L554-F580 HydrophobicContact CD1-CB 4.23Å; L554-F580 HydrophobicContact CD1-CD1 4.08Å; L554-F580 HydrophobicContact CD1-CG 4.29Å; L554-F580 WeakPolarHBondContact CD1-O 3.49Å; L554-F580 HydrophobicContact CD2-CD1 4.03Å; L554-F580 HydrophobicContact CD2-CE1 4.29Å; L554-N583 HydrophobicContact CD1-CB 4.27Å
555A92.6Very high94.7Very high50 Ų5029.3 Ų29.341%0.41318%0.177SC..Hα-helixtrans-61.6-27.9172.900000113.2E553 M557E553-A555 VanDerWaalsContact C-N 3.31Å; E553-A555 PolarHBondContact O-N 3.39Å; A555-M557 VanDerWaalsContact C-N 3.33Å
556S93.1Very high94.6Very high31 Ų3130.6 Ų30.622%0.21718%0.183CC..Hα-helixtrans-79.5-13.9175.687.50000113.7R463 E553 L554 W602R463-S556 PolarHBondContact NE-O 3.26Å; R463-S556 PolarHBondContact NH2-O 3.18Å; E553-S556 VanDerWaalsContact O-CA 3.31Å; E553-S556 WeakPolarHBondContact O-CA 3.23Å; E553-S556 VanDerWaalsContact O-CB 3.23Å; E553-S556 WeakPolarHBondContact O-CB 3.33Å; E553-S556 PolarHBondContact O-N 2.8Å; E553-S556 PolarHBondContact O-OG 3.13Å; L554-S556 PolarHBondContact O-N 2.9Å; S556-W602 PolarHBondContact OG-NE1 2.97Å
557M95.5Very high94.3Very high6 Ų630.2 Ų30.23%0.0318%0.183CC..Hα-helixtrans-87.6-15.3179.9-66.4-179.2178.300113.4L550 E553 L554 A555 G559 L560 V561 V564 W602L550-M557 HydrophobicContact CB-CE 3.74Å; L550-M557 HydrophobicContact CD1-CE 3.54Å; L550-M557 HydrophobicContact CG-CE 4.32Å; E553-M557 HydrophobicContact CB-CE 4.16Å; E553-M557 PolarHBondContact O-N 2.69Å; L554-M557 HydrophobicContact CD2-SD 3.91Å; L554-M557 WeakPolarHBondContact O-CB 3.32Å; L554-M557 PolarHBondContact O-N 2.62Å; A555-M557 VanDerWaalsContact C-N 3.33Å; M557-G559 PolarHBondContact O-N 2.87Å; M557-L560 WeakPolarHBondContact O-CA 3.26Å; M557-L560 WeakPolarHBondContact O-CB 3.41Å; M557-L560 PolarHBondContact O-N 2.99Å; M557-V561 HydrophobicContact CB-CB 4.02Å; M557-V561 HydrophobicContact CB-CG2 3.88Å; M557-V561 HydrophobicContact CG-CB 4.42Å; M557-V561 HydrophobicContact CG-CG2 3.92Å; M557-V561 PolarHBondContact O-N 3.39Å; M557-V561 HydrophobicContact SD-CG2 4.27Å; M557-V564 HydrophobicContact SD-CG2 3.97Å; M557-W602 HydrophobicContact CE-CD2 4.45Å; M557-W602 HydrophobicContact CE-CE3 4.47Å; M557-W602 HydrophobicContact CE-CH2 3.92Å; M557-W602 HydrophobicContact CE-CZ2 3.86Å; M557-W602 HydrophobicContact CE-CZ3 4.22Å; M557-W602 HydrophobicContact CG-CH2 3.69Å; M557-W602 HydrophobicContact CG-CZ2 3.47Å; M557-W602 VanDerWaalsContact CG-CZ2 3.47Å
558Q93Very high93.8Very high116 Ų11631.3 Ų31.354%0.54219%0.19SC..THydrogen-bonded Turntrans-55.3125.2-177.2-64.2-173.1-8.600111.7L560Q558-L560 PolarHBondContact O-N 2.83Å
559G93.3Very high93Very high64 Ų6433.1 Ų33.166%0.6620%0.199SC*.THydrogen-bonded Turntrans77.6-6.1-175.500000115.7R479 M557R479-G559 PolarHBondContact NH2-O 2.95Å; M557-G559 PolarHBondContact O-N 2.87Å
560L97Very high92.4Very high26 Ų2634.1 Ų34.114%0.13621%0.21CC..THydrogen-bonded Turntrans-107.3-41.7178.3-55.7-180000112.5R463 L466 V467 L470 R479 V484 M557 Q558R463-L560 HydrophobicContact CG-CD1 4.28Å; L466-L560 HydrophobicContact CD2-CB 4.15Å; V467-L560 HydrophobicContact CG2-CD1 3.64Å; V467-L560 HydrophobicContact CG2-CD2 3.94Å; V467-L560 HydrophobicContact CG2-CG 4.47Å; L470-L560 HydrophobicContact CD1-CB 4.2Å; L470-L560 HydrophobicContact CD1-CD2 4.06Å; L470-L560 WeakPolarHBondContact CD1-O 3.11Å; R479-L560 PolarHBondContact NH2-O 3.37Å; V484-L560 WeakPolarHBondContact CB-O 3.21Å; V484-L560 WeakPolarHBondContact CG1-O 3.32Å; M557-L560 WeakPolarHBondContact O-CA 3.26Å; M557-L560 WeakPolarHBondContact O-CB 3.41Å; M557-L560 PolarHBondContact O-N 2.99Å; Q558-L560 PolarHBondContact O-N 2.83Å
561V97.6Very high91.9Very high17 Ų1737.2 Ų37.210%0.10323%0.229CC..  trans-119.5134.9-175.9-172.20000109.5L466 V486 M557 V563 V564 W602L466-V561 HydrophobicContact CD2-CG2 3.84Å; V486-V561 HydrophobicContact CB-CG1 4.12Å; V486-V561 HydrophobicContact CB-CG2 4.5Å; V486-V561 HydrophobicContact CG2-CB 4.34Å; V486-V561 HydrophobicContact CG2-CG1 3.75Å; V486-V561 HydrophobicContact CG2-CG2 3.56Å; M557-V561 HydrophobicContact CB-CB 4.02Å; M557-V561 HydrophobicContact CB-CG2 3.88Å; M557-V561 HydrophobicContact CG-CB 4.42Å; M557-V561 HydrophobicContact CG-CG2 3.92Å; M557-V561 PolarHBondContact O-N 3.39Å; M557-V561 HydrophobicContact SD-CG2 4.27Å; V561-V563 WeakPolarHBondContact CG1-O 3.22Å; V561-V564 HydrophobicContact CG1-CG2 4.4Å; V561-W602 HydrophobicContact CG2-CH2 4.05Å
562D95.7Very high91.6Very high88 Ų8843.5 Ų43.547%0.47126%0.262SS..SBendtrans-102.5-28.2-179.8-52.1-69.7000111.5R479 E483 V484R479-D562 IonicContact NH1-OD2 3.45Å; E483-D562 HydrophobicContact CB-CB 4.19Å; V484-D562 PolarHBondContact N-OD2 2.93Å; V484-D562 PolarHBondContact O-N 3.33Å
563V95.9Very high91.2Very high23 Ų2341.8 Ų41.814%0.13925%0.254CS..EExtended strand (participates in β ladder)trans-131.6127.5178.1-177.70000112.1V484 E485 V486 V561V484-V563 PolarHBondContact O-N 2.95Å; E485-V563 VanDerWaalsContact CA-O 3.29Å; E485-V563 WeakPolarHBondContact CA-O 3.44Å; E485-V563 HydrophobicContact CB-CB 3.98Å; E485-V563 HydrophobicContact CB-CG1 4.48Å; E485-V563 HydrophobicContact CG-CB 3.94Å; E485-V563 HydrophobicContact CG-CG1 3.92Å; V486-V563 PolarHBondContact N-O 3.45Å; V561-V563 WeakPolarHBondContact CG1-O 3.22Å
564V93.9Very high91Very high53 Ų5342.9 Ų42.932%0.32126%0.258SS..EExtended strand (participates in β ladder)trans-105.9106.1178.4178.40000108.7L554 M557 V561 L566 F580L554-V564 HydrophobicContact CD2-CG1 3.81Å; L554-V564 HydrophobicContact CD2-CG2 4.13Å; M557-V564 HydrophobicContact SD-CG2 3.97Å; V561-V564 HydrophobicContact CG1-CG2 4.4Å; V564-L566 HydrophobicContact CG1-CD1 4.45Å; V564-F580 HydrophobicContact CG1-CD1 3.84Å; V564-F580 HydrophobicContact CG1-CE1 4.04Å
565R95.5Very high90.8Very high35 Ų3545.7 Ų45.713%0.13228%0.283CS..EExtended strand (participates in β ladder)trans-94.3125.7-172.7-168.6-177.7-172.3168-2.8111.4Y353 E413 E485 V486 L487 S488 Y489Y353-R565 VanDerWaalsContact CD1-NH2 3.29Å; Y353-R565 HydrophobicContact CD2-CG 4.46Å; Y353-R565 HydrophobicContact CE2-CG 4.4Å; E413-R565 IonicContact OE1-CZ 3.65Å; E413-R565 IonicContact OE1-NH1 3.44Å; E413-R565 PolarHBondContact OE1-NH1 2.71Å; E413-R565 IonicContact OE1-NH2 2.74Å; E413-R565 PolarHBondContact OE1-NH2 3.02Å; E413-R565 IonicContact OE2-CZ 2.61Å; E413-R565 IonicContact OE2-NH1 2.75Å; E413-R565 IonicContact OE2-NH2 4Å; E413-R565 PolarHBondContact OE2-NH2 3.3Å; E485-R565 HydrophobicContact CG-CB 4.12Å; E485-R565 WeakPolarHBondContact OE1-CD 3.49Å; V486-R565 PolarHBondContact O-N 3.28Å; L487-R565 HydrophobicContact CD1-CB 4.41Å; L487-R565 HydrophobicContact CD1-CG 4.22Å; S488-R565 PolarHBondContact N-O 2.8Å; Y489-R565 PolarHBondContact N-O 3.47Å
566L92.7Very high90.7Very high29 Ų2945.2 Ų45.215%0.15227%0.273CS..EExtended strand (participates in β ladder)trans-102.2128.5171.8-67.576.7000109.3Y489 V564 T573 M576 L577 F580Y489-L566 HydrophobicContact CD1-CB 4.45Å; Y489-L566 HydrophobicContact CD1-CD2 4.43Å; Y489-L566 HydrophobicContact CG-CD2 4.39Å; Y489-L566 HydrophobicContact CG-CG 4.43Å; V564-L566 HydrophobicContact CG1-CD1 4.45Å; L566-T573 HydrophobicContact CB-CG2 4.33Å; L566-M576 HydrophobicContact CD2-CB 4.35Å; L566-M576 HydrophobicContact CD2-CG 4.06Å; L566-L577 HydrophobicContact CD1-CD1 3.76Å; L566-L577 HydrophobicContact CD2-CB 4.07Å; L566-L577 HydrophobicContact CD2-CD1 4.18Å; L566-F580 HydrophobicContact CD1-CD1 4.03Å; L566-F580 HydrophobicContact CD1-CE1 4.45Å; L566-F580 HydrophobicContact CD1-CG 4.42Å; L566-F580 HydrophobicContact CD2-CD1 4.47Å; L566-F580 HydrophobicContact CD2-CD2 4.27Å; L566-F580 HydrophobicContact CD2-CG 4.22Å; L566-F580 HydrophobicContact CG-CD1 4.38Å; L566-F580 HydrophobicContact CG-CE1 4.46Å
567S91.4Very high90.5Very high9 Ų944.9 Ų44.96%0.06327%0.268CS..PPolyproline II helixtrans-87.1129.7168.5172.60000110.7L329 Y489L329-S567 WeakPolarHBondContact CD1-OG 3.32Å; Y489-S567 WeakPolarHBondContact O-CB 3.35Å; Y489-S567 PolarHBondContact O-N 3.06Å
568P82.8Confident90.4Very high35 Ų3548.8 Ų48.823%0.22729%0.29CS..PPolyproline II helixtrans-79150.7-179.633.2-36.1000114.2W332 F340 T573W332-P568 HydrophobicContact CH2-CB 4.19Å; W332-P568 HydrophobicContact CH2-CG 4.35Å; F340-P568 HydrophobicContact CE1-CB 4.44Å; F340-P568 HydrophobicContact CE1-CG 4.22Å; F340-P568 HydrophobicContact CE2-CB 3.83Å; F340-P568 HydrophobicContact CE2-CG 4.45Å; F340-P568 HydrophobicContact CZ-CB 3.52Å; F340-P568 HydrophobicContact CZ-CG 3.75Å; P568-T573 WeakPolarHBondContact CA-OG1 3.39Å; P568-T573 HydrophobicContact CB-CG2 3.95Å; P568-T573 WeakPolarHBondContact CB-OG1 3.45Å
569Q79.4Confident90.4Very high42 Ų4244.9 Ų44.920%0.19628%0.277CS..SBendtrans-123.86.5171.4-62.318067.700111.8H491 N522 T573H491-Q569 PolarHBondContact CD2-OE1 2.7Å; H491-Q569 VanDerWaalsContact CD2-OE1 3.29Å; H491-Q569 PolarHBondContact NE2-OE1 3.32Å; N522-Q569 PolarHBondContact ND2-O 2.91Å; N522-Q569 WeakPolarHBondContact OD1-CA 3.4Å; N522-Q569 WeakPolarHBondContact OD1-CB 3.35Å; N522-Q569 PolarHBondContact OD1-O 2.98Å; N522-Q569 VanDerWaalsContact OD1-O 3.12Å; Q569-T573 PolarHBondContact N-OG1 3.34Å
570G82.3Confident90.4Very high23 Ų2342.1 Ų42.124%0.23725%0.247CC..SBendtrans146.3-174.3-169.900000111.1D572 T573G570-D572 VanDerWaalsContact C-N 3.26Å; G570-D572 PolarHBondContact O-N 3.22Å; G570-T573 WeakPolarHBondContact O-CB 3.2Å; G570-T573 PolarHBondContact O-N 3.49Å; G570-T573 PolarHBondContact O-OG1 3.18Å
571T84.9Confident90Very high66 Ų6645.1 Ų45.141%0.40526%0.256SS..THydrogen-bonded Turntrans-63.1-28.1179.344.20000113.8T573 F574T571-T573 PolarHBondContact O-N 3.05Å; T571-F574 WeakPolarHBondContact O-CD2 3.19Å; T571-F574 PolarHBondContact O-N 3.34Å
572D85.1Confident89.8Confident131 Ų13147.3 Ų47.370%0.70128%0.276SS*.THydrogen-bonded Turntrans-61.2-18.6-179.2-55.1-14000112.8G570 F574 A575 M576G570-D572 VanDerWaalsContact C-N 3.26Å; G570-D572 PolarHBondContact O-N 3.22Å; D572-F574 PolarHBondContact O-N 3.17Å; D572-A575 PolarHBondContact O-N 3.25Å; D572-A575 VanDerWaalsContact O-N 3.08Å; D572-M576 PolarHBondContact O-N 3.31Å; D572-M576 VanDerWaalsContact O-N 3.14Å
573T86.5Confident89.8Confident12 Ų1243.1 Ų43.17%0.07425%0.254CS..Hα-helixtrans-56.1-30.6170.9-39.90000112.4L566 P568 Q569 G570 T571 M576 L577L566-T573 HydrophobicContact CB-CG2 4.33Å; P568-T573 WeakPolarHBondContact CA-OG1 3.39Å; P568-T573 HydrophobicContact CB-CG2 3.95Å; P568-T573 WeakPolarHBondContact CB-OG1 3.45Å; Q569-T573 PolarHBondContact N-OG1 3.34Å; G570-T573 WeakPolarHBondContact O-CB 3.2Å; G570-T573 PolarHBondContact O-N 3.49Å; G570-T573 PolarHBondContact O-OG1 3.18Å; T571-T573 PolarHBondContact O-N 3.05Å; T573-M576 PolarHBondContact O-N 3.49Å; T573-L577 WeakPolarHBondContact O-CB 3.1Å; T573-L577 PolarHBondContact O-N 3.01Å
574F89.3Confident89.5Confident32 Ų3247 Ų4714%0.1427%0.27CS..Hα-helixtrans-69.9-36.2176.8-57.5-54.4000112.1F340 Q343 A344 T571 D572 M576 L577 D578F340-F574 AromaticContact CD2-CE2 3.94Å; F340-F574 HydrophobicContact CD2-CE2 3.94Å; F340-F574 AromaticContact CD2-CZ 3.79Å; F340-F574 HydrophobicContact CD2-CZ 3.79Å; F340-F574 HydrophobicContact CE1-CZ 4.36Å; F340-F574 HydrophobicContact CE2-CE1 4.17Å; F340-F574 AromaticContact CE2-CE2 3.78Å; F340-F574 HydrophobicContact CE2-CE2 3.78Å; F340-F574 AromaticContact CE2-CZ 3.4Å; F340-F574 HydrophobicContact CE2-CZ 3.4Å; F340-F574 HydrophobicContact CG-CZ 4.41Å; F340-F574 HydrophobicContact CZ-CE1 4.15Å; F340-F574 AromaticContact CZ-CZ 3.71Å; F340-F574 HydrophobicContact CZ-CZ 3.71Å; Q343-F574 HydrophobicContact CB-CD2 4.16Å; Q343-F574 HydrophobicContact CB-CE2 3.48Å; Q343-F574 VanDerWaalsContact CB-CE2 3.48Å; Q343-F574 HydrophobicContact CB-CZ 3.95Å; A344-F574 HydrophobicContact CB-CE1 3.82Å; A344-F574 HydrophobicContact CB-CZ 3.87Å; T571-F574 WeakPolarHBondContact O-CD2 3.19Å; T571-F574 PolarHBondContact O-N 3.34Å; D572-F574 PolarHBondContact O-N 3.17Å; F574-M576 VanDerWaalsContact C-N 3.34Å; F574-L577 WeakPolarHBondContact O-CB 3.4Å; F574-L577 PolarHBondContact O-N 3.47Å; F574-D578 PolarHBondContact O-N 3.13Å
575A90.3Very high89.4Confident71 Ų7149.9 Ų49.959%0.58728%0.284SS*.Hα-helixtrans-67.8-35.117200000111.8D572 A579D572-A575 PolarHBondContact O-N 3.25Å; D572-A575 VanDerWaalsContact O-N 3.08Å; A575-A579 WeakPolarHBondContact O-CB 3.37Å; A575-A579 PolarHBondContact O-N 3.4Å
576M89.3Confident89.1Confident41 Ų4150 Ų5020%0.20230%0.296CS..Hα-helixtrans-67.5-37.6172.2-170.958.563.300112.2Y489 L566 D572 T573 F574 A579 F580Y489-M576 HydrophobicContact CD1-CG 4.04Å; Y489-M576 HydrophobicContact CD2-CG 3.81Å; Y489-M576 HydrophobicContact CD2-SD 4.32Å; Y489-M576 HydrophobicContact CE1-CB 4.37Å; Y489-M576 HydrophobicContact CE1-CG 3.95Å; Y489-M576 HydrophobicContact CE2-CE 3.9Å; Y489-M576 HydrophobicContact CE2-CG 3.73Å; Y489-M576 HydrophobicContact CE2-SD 4.04Å; Y489-M576 HydrophobicContact CG-CG 3.97Å; L566-M576 HydrophobicContact CD2-CB 4.35Å; L566-M576 HydrophobicContact CD2-CG 4.06Å; D572-M576 PolarHBondContact O-N 3.31Å; D572-M576 VanDerWaalsContact O-N 3.14Å; T573-M576 PolarHBondContact O-N 3.49Å; F574-M576 VanDerWaalsContact C-N 3.34Å; M576-A579 PolarHBondContact O-N 3.23Å; M576-F580 HydrophobicContact CG-CD2 3.95Å; M576-F580 HydrophobicContact CG-CE2 3.85Å; M576-F580 VanDerWaalsContact O-CD2 3.27Å; M576-F580 WeakPolarHBondContact O-CD2 3.3Å; M576-F580 PolarHBondContact O-N 3.06Å; M576-F580 HydrophobicContact SD-CD2 3.89Å; M576-F580 HydrophobicContact SD-CE2 3.7Å
577L90.1Very high89.1Confident23 Ų2352.9 Ų52.912%0.1232%0.324CS..Hα-helixtrans-61.7-45.2174.9-178.570.4000111.5S348 A349 L566 T573 F574 A579 F580 R581S348-L577 WeakPolarHBondContact OG-CD2 3.39Å; S348-L577 WeakPolarHBondContact OG-CG 3.32Å; A349-L577 HydrophobicContact CB-CD2 3.79Å; L566-L577 HydrophobicContact CD1-CD1 3.76Å; L566-L577 HydrophobicContact CD2-CB 4.07Å; L566-L577 HydrophobicContact CD2-CD1 4.18Å; T573-L577 WeakPolarHBondContact O-CB 3.1Å; T573-L577 PolarHBondContact O-N 3.01Å; F574-L577 WeakPolarHBondContact O-CB 3.4Å; F574-L577 PolarHBondContact O-N 3.47Å; L577-A579 VanDerWaalsContact C-N 3.33Å; L577-A579 PolarHBondContact O-N 3Å; L577-F580 WeakPolarHBondContact O-CB 3.43Å; L577-F580 PolarHBondContact O-N 3.1Å; L577-R581 WeakPolarHBondContact O-CG 3.45Å; L577-R581 PolarHBondContact O-N 2.86Å
578D92.9Very high89.3Confident89 Ų8954.8 Ų54.848%0.47634%0.34SS..Hα-helixtrans-65.5-34.9175.4-70-23.1000112.1S348 F574 R581 A582S348-D578 VanDerWaalsContact CB-OD1 3.22Å; S348-D578 WeakPolarHBondContact CB-OD1 3.15Å; S348-D578 PolarHBondContact OG-OD1 2.89Å; F574-D578 PolarHBondContact O-N 3.13Å; D578-R581 PolarHBondContact O-N 3.14Å; D578-A582 WeakPolarHBondContact O-CB 3.31Å; D578-A582 PolarHBondContact O-N 3.28Å
579A92.5Very high89.7Confident33 Ų3357 Ų5727%0.27336%0.355SS..Hα-helixtrans-66.5-4017200000112.6A575 M576 L577 A582 N583A575-A579 WeakPolarHBondContact O-CB 3.37Å; A575-A579 PolarHBondContact O-N 3.4Å; M576-A579 PolarHBondContact O-N 3.23Å; L577-A579 VanDerWaalsContact C-N 3.33Å; L577-A579 PolarHBondContact O-N 3Å; A579-A582 PolarHBondContact O-N 3.07Å; A579-N583 PolarHBondContact O-N 3.04Å; A579-N583 VanDerWaalsContact O-N 3.1Å
580F92.5Very high90.1Very high7 Ų755.4 Ų55.43%0.03135%0.348CS..Hα-helixtrans-62.4-43.8172.6-91.4-124.6000111.2Y489 G551 L554 V564 L566 M576 L577 N583 E584Y489-F580 HydrophobicContact CD2-CE2 4.19Å; Y489-F580 HydrophobicContact CD2-CZ 4.24Å; Y489-F580 HydrophobicContact CG-CZ 4.44Å; G551-F580 VanDerWaalsContact N-CZ 3.3Å; L554-F580 HydrophobicContact CD1-CB 4.23Å; L554-F580 HydrophobicContact CD1-CD1 4.08Å; L554-F580 HydrophobicContact CD1-CG 4.29Å; L554-F580 WeakPolarHBondContact CD1-O 3.49Å; L554-F580 HydrophobicContact CD2-CD1 4.03Å; L554-F580 HydrophobicContact CD2-CE1 4.29Å; V564-F580 HydrophobicContact CG1-CD1 3.84Å; V564-F580 HydrophobicContact CG1-CE1 4.04Å; L566-F580 HydrophobicContact CD1-CD1 4.03Å; L566-F580 HydrophobicContact CD1-CE1 4.45Å; L566-F580 HydrophobicContact CD1-CG 4.42Å; L566-F580 HydrophobicContact CD2-CD1 4.47Å; L566-F580 HydrophobicContact CD2-CD2 4.27Å; L566-F580 HydrophobicContact CD2-CG 4.22Å; L566-F580 HydrophobicContact CG-CD1 4.38Å; L566-F580 HydrophobicContact CG-CE1 4.46Å; M576-F580 HydrophobicContact CG-CD2 3.95Å; M576-F580 HydrophobicContact CG-CE2 3.85Å; M576-F580 VanDerWaalsContact O-CD2 3.27Å; M576-F580 WeakPolarHBondContact O-CD2 3.3Å; M576-F580 PolarHBondContact O-N 3.06Å; M576-F580 HydrophobicContact SD-CD2 3.89Å; M576-F580 HydrophobicContact SD-CE2 3.7Å; L577-F580 WeakPolarHBondContact O-CB 3.43Å; L577-F580 PolarHBondContact O-N 3.1Å; F580-N583 CarbonylContact O-C 3.5Å; F580-N583 PolarHBondContact O-N 3.22Å; F580-N583 VanDerWaalsContact O-N 3.14Å; F580-E584 PolarHBondContact O-N 2.82Å; F580-E584 VanDerWaalsContact O-N 3.16Å
581R89.5Confident90.4Very high89 Ų8959.5 Ų59.534%0.33637%0.37SS..Hα-helixtrans-60.1-45.2173.5-71.8-64.6-162.3-176.15.6112.2S348 D350 L577 D578 N583 E584S348-R581 PolarHBondContact O-NE 2.92Å; S348-R581 PolarHBondContact O-NH2 2.87Å; D350-R581 IonicContact OD1-NH2 2.78Å; D350-R581 PolarHBondContact OD1-NH2 2.76Å; D350-R581 IonicContact OD2-CZ 2.85Å; D350-R581 IonicContact OD2-NH1 3.49Å; D350-R581 PolarHBondContact OD2-NH1 2.79Å; D350-R581 IonicContact OD2-NH2 3.2Å; D350-R581 PolarHBondContact OD2-NH2 2.79Å; L577-R581 WeakPolarHBondContact O-CG 3.45Å; L577-R581 PolarHBondContact O-N 2.86Å; D578-R581 PolarHBondContact O-N 3.14Å; R581-N583 PolarHBondContact O-N 3.41Å; R581-E584 WeakPolarHBondContact O-CB 3.48Å; R581-E584 PolarHBondContact O-N 3.42Å
582A94.2Very high90.8Very high62 Ų6258.2 Ų58.251%0.51236%0.361SS..Hα-helixtrans-59.9-28.3176.400000112.7D578 A579 A588D578-A582 WeakPolarHBondContact O-CB 3.31Å; D578-A582 PolarHBondContact O-N 3.28Å; A579-A582 PolarHBondContact O-N 3.07Å; A582-A588 HydrophobicContact CB-CB 4.23Å
583N94.9Very high91Very high1 Ų155.6 Ų55.61%0.00535%0.35CS..THydrogen-bonded Turntrans-100.512.7179-157.346.1000115.9G551 L554 A579 F580 R581 N585 G586 A587 A588 P589G551-N583 PolarHBondContact O-ND2 3.2Å; L554-N583 HydrophobicContact CD1-CB 4.27Å; A579-N583 PolarHBondContact O-N 3.04Å; A579-N583 VanDerWaalsContact O-N 3.1Å; F580-N583 CarbonylContact O-C 3.5Å; F580-N583 PolarHBondContact O-N 3.22Å; F580-N583 VanDerWaalsContact O-N 3.14Å; R581-N583 PolarHBondContact O-N 3.41Å; N583-N585 PolarHBondContact O-N 3.26Å; N583-G586 PolarHBondContact O-N 3.28Å; N583-G586 WeakPolarHBondContact OD1-CA 3.44Å; N583-A587 PolarHBondContact OD1-N 2.94Å; N583-A587 VanDerWaalsContact OD1-N 3.09Å; N583-A588 WeakPolarHBondContact CB-O 3.3Å; N583-A588 PolarHBondContact OD1-N 3.4Å; N583-P589 VanDerWaalsContact OD1-N 3.09Å
584E90.1Very high91.1Very high104 Ų10458.4 Ų58.449%0.48637%0.374SS..THydrogen-bonded Turntrans-52.8-31.1-179.9-176.7174.4-120.800113.5F580 R581F580-E584 PolarHBondContact O-N 2.82Å; F580-E584 VanDerWaalsContact O-N 3.16Å; R581-E584 WeakPolarHBondContact O-CB 3.48Å; R581-E584 PolarHBondContact O-N 3.42Å
585N90.3Very high91Very high114 Ų11463 Ų6361%0.6140%0.4SS*.THydrogen-bonded Turntrans-106.215.1177.6-68-80.7000113.9N583 A587N583-N585 PolarHBondContact O-N 3.26Å; N585-A587 VanDerWaalsContact C-N 3.28Å; N585-A587 PolarHBondContact O-N 3.36Å
586G90.3Very high91Very high38 Ų3862.3 Ų62.339%0.39239%0.391SS..SBendtrans72.313.9-179.700000115.5N583N583-G586 PolarHBondContact O-N 3.28Å; N583-G586 WeakPolarHBondContact OD1-CA 3.44Å
587A92.9Very high91.3Very high88 Ų8860.9 Ų60.973%0.72738%0.384SS*.SBendtrans-90.2-12.4-171.400000115.3N583 N585N583-A587 PolarHBondContact OD1-N 2.94Å; N583-A587 VanDerWaalsContact OD1-N 3.09Å; N585-A587 VanDerWaalsContact C-N 3.28Å; N585-A587 PolarHBondContact O-N 3.36Å
588A94.4Very high91.6Very high50 Ų5059.8 Ų59.841%0.41338%0.378SS..SBendtrans-147.458.9-175.100000111.9A582 N583A582-A588 HydrophobicContact CB-CB 4.23Å; N583-A588 WeakPolarHBondContact CB-O 3.3Å; N583-A588 PolarHBondContact OD1-N 3.4Å
589P91.5Very high91.8Very high81 Ų8155.5 Ų55.553%0.52636%0.356SS..PPolyproline II helixtrans-58.4125-171.421.2-33.1000113.1N552 N583N552-P589 WeakPolarHBondContact OD1-CA 3.37Å; N552-P589 WeakPolarHBondContact OD1-CB 3.33Å; N583-P589 VanDerWaalsContact OD1-N 3.09Å
590P88.1Confident92.1Very high9 Ų954 Ų546%0.05834%0.343CS..PPolyproline II helixtrans-61.2151.7172.224.1-34.1000112.2N552N552-P590 PolarHBondContact ND2-O 3.06Å; N552-P590 VanDerWaalsContact ND2-O 3.16Å; N552-P590 WeakPolarHBondContact OD1-CD 3.44Å; N552-P590 PolarHBondContact OD1-O 2.94Å
591P88.9Confident92.3Very high108 Ų10853.9 Ų53.970%0.70134%0.342SS*.PPolyproline II helixtrans-66.7140.7176.728.9-34.7000111.1
592L92.3Very high92.7Very high39 Ų3949.9 Ų49.920%0.20433%0.327CS..  trans-108.9131.4170.5-65.4172.8000109.2N549 N552 D597 L610N549-L592 HydrophobicContact CB-CD2 3.79Å; N552-L592 HydrophobicContact CB-CD1 4.36Å; N552-L592 WeakPolarHBondContact ND2-CD1 3.39Å; L592-D597 HydrophobicContact CD2-CB 4.17Å; L592-L610 HydrophobicContact CB-CD1 4.24Å; L592-L610 HydrophobicContact CB-CD2 4.33Å; L592-L610 HydrophobicContact CD1-CD1 4.18Å; L592-L610 HydrophobicContact CD2-CD1 4.42Å
593T90.6Very high92.8Very high76 Ų7651.1 Ų51.147%0.46632%0.319SS..  trans-112.4117.5-172.7-53.90000110.7N595 S596 D597T593-N595 PolarHBondContact O-N 2.86Å; T593-S596 PolarHBondContact O-N 2.95Å; T593-S596 VanDerWaalsContact O-N 3.07Å; T593-D597 WeakPolarHBondContact CA-OD2 3.44Å; T593-D597 VanDerWaalsContact CB-OD2 3.28Å; T593-D597 WeakPolarHBondContact CB-OD2 3.42Å; T593-D597 PolarHBondContact N-OD2 3.36Å; T593-D597 PolarHBondContact O-N 2.94Å
594A88.7Confident92.9Very high71 Ų7158.6 Ų58.659%0.58735%0.346SS*.THydrogen-bonded Turntrans-61.3135.5179.600000112.2S596 L610A594-S596 PolarHBondContact O-N 2.94Å; A594-L610 HydrophobicContact CB-CD2 4.48Å
595N86.5Confident93.2Very high130 Ų13056.1 Ų56.170%0.69534%0.336SS*.THydrogen-bonded Turntrans63.723.2-172.4-39.5-79.3000114.5Y546 T593Y546-N595 WeakPolarHBondContact CD1-O 3.4Å; Y546-N595 VanDerWaalsContact CE1-C 3.42Å; Y546-N595 HydrophobicContact CE1-CB 4.2Å; Y546-N595 VanDerWaalsContact CE1-O 3.22Å; Y546-N595 WeakPolarHBondContact CE1-O 3.33Å; T593-N595 PolarHBondContact O-N 2.86Å
596S90.4Very high93.5Very high55 Ų5550.8 Ų50.839%0.38531%0.308SS..THydrogen-bonded Turntrans-136.8-48.8173.2172.80000110.3Y546 V547 T593 A594Y546-S596 WeakPolarHBondContact CA-O 3.42Å; Y546-S596 WeakPolarHBondContact CB-O 3.12Å; V547-S596 PolarHBondContact N-O 2.93Å; T593-S596 PolarHBondContact O-N 2.95Å; T593-S596 VanDerWaalsContact O-N 3.07Å; A594-S596 PolarHBondContact O-N 2.94Å
597D95.1Very high93.9Very high11 Ų1149 Ų496%0.05929%0.29CS..EExtended strand (participates in β ladder)trans-95.7154.2173.3-61.4-88.9000112V547 N549 L592 T593 L610V547-D597 CarbonylContact O-C 2.81Å; V547-D597 WeakPolarHBondContact O-CA 3.5Å; N549-D597 HydrophobicContact CB-CB 4.19Å; N549-D597 VanDerWaalsContact CB-OD1 3.25Å; N549-D597 WeakPolarHBondContact CB-OD1 3.32Å; N549-D597 PolarHBondContact ND2-OD1 2.84Å; L592-D597 HydrophobicContact CD2-CB 4.17Å; T593-D597 WeakPolarHBondContact CA-OD2 3.44Å; T593-D597 VanDerWaalsContact CB-OD2 3.28Å; T593-D597 WeakPolarHBondContact CB-OD2 3.42Å; T593-D597 PolarHBondContact N-OD2 3.36Å; T593-D597 PolarHBondContact O-N 2.94Å; D597-L610 HydrophobicContact CB-CD1 4.11Å; D597-L610 HydrophobicContact CB-CD2 4.41Å
598C97.1Very high94Very high0 Ų045.9 Ų45.90%026%0.261CS..EExtended strand (participates in β ladder)trans-139.9156.8165.167.90000111.8Y546 V547 Y548 N549 G607 E609Y546-C598 HydrophobicContact CD2-CB 4.45Å; V547-C598 PolarHBondContact O-N 2.85Å; Y548-C598 CarbonylContact C-O 3.53Å; Y548-C598 VanDerWaalsContact CA-O 3.3Å; Y548-C598 WeakPolarHBondContact CA-O 3.14Å; Y548-C598 WeakPolarHBondContact CD2-O 3.26Å; N549-C598 PolarHBondContact N-O 3.35Å; C598-G607 WeakPolarHBondContact CB-O 3.2Å; C598-G607 PolarHBondContact SG-O 2.93Å; C598-E609 WeakPolarHBondContact CB-O 3.47Å
599N97.2Very high94.2Very high0 Ų047.1 Ų47.10%026%0.258CS..  trans-144.88.2174.567.6-9.7000113.4L550 E553 Y601 W602 R603 E609 L610 Q611L550-N599 HydrophobicContact CD2-CB 3.75Å; E553-N599 PolarHBondContact OE1-ND2 2.83Å; N599-Y601 VanDerWaalsContact C-N 3.35Å; N599-Y601 PolarHBondContact O-N 2.71Å; N599-W602 PolarHBondContact O-N 2.81Å; N599-R603 PolarHBondContact O-N 2.83Å; N599-E609 PolarHBondContact N-O 2.75Å; N599-L610 WeakPolarHBondContact OD1-CA 3.5Å; N599-Q611 PolarHBondContact ND2-O 3.47Å; N599-Q611 PolarHBondContact OD1-N 2.72Å; N599-Q611 PolarHBondContact OD1-O 2.71Å
600G97.7Very high94.4Very high0 Ų045.9 Ų45.90%025%0.247CC..THydrogen-bonded Turntrans-56.1-38.7-166.300000115.3W602 R603 R604 L605 A606 E609G600-W602 PolarHBondContact O-N 3.03Å; G600-R603 CarbonylContact O-C 3.56Å; G600-R603 VanDerWaalsContact O-C 3.29Å; G600-R603 WeakPolarHBondContact O-CA 3.31Å; G600-R603 PolarHBondContact O-N 2.8Å; G600-R603 VanDerWaalsContact O-N 3.11Å; G600-R604 PolarHBondContact O-N 3.39Å; G600-L605 PolarHBondContact O-N 2.71Å; G600-A606 WeakPolarHBondContact CA-O 3.43Å; G600-E609 WeakPolarHBondContact CA-O 3.22Å; G600-E609 PolarHBondContact N-O 3.43Å
601Y98Very high94.6Very high5 Ų549.1 Ų49.12%0.0226%0.261CS..THydrogen-bonded Turntrans-56.4-51.5177.9-76.9-49.5000112.5Y177 S180 Y181 V459 E460 S462 L492 L494 Y548 N599 R603 R604Y177-Y601 PolarHBondContact O-OH 2.78Å; S180-Y601 WeakPolarHBondContact O-CE1 3.45Å; S180-Y601 PolarHBondContact OG-OH 3.42Å; Y181-Y601 WeakPolarHBondContact CA-OH 3.25Å; Y181-Y601 HydrophobicContact CD2-CE2 4.42Å; Y181-Y601 PolarHBondContact N-OH 3.25Å; V459-Y601 WeakPolarHBondContact O-CD2 3.33Å; V459-Y601 WeakPolarHBondContact O-CE2 3.49Å; E460-Y601 HydrophobicContact CB-CD1 4.31Å; E460-Y601 HydrophobicContact CB-CE1 3.69Å; S462-Y601 WeakPolarHBondContact CA-O 3.41Å; S462-Y601 WeakPolarHBondContact CB-O 3.46Å; L492-Y601 HydrophobicContact CD1-CD2 3.57Å; L492-Y601 HydrophobicContact CD1-CE2 3.65Å; L494-Y601 HydrophobicContact CD2-CE2 4.06Å; Y548-Y601 HydrophobicContact CE2-CD2 4.44Å; N599-Y601 VanDerWaalsContact C-N 3.35Å; N599-Y601 PolarHBondContact O-N 2.71Å; Y601-R603 PolarHBondContact O-N 3.14Å; Y601-R604 PolarHBondContact O-N 3.16Å
602W97.8Very high94.1Very high5 Ų550 Ų502%0.01928%0.277CS..THydrogen-bonded Turntrans-53.7-42176.3-170.8-106.3000111.8M457 R463 L466 V486 Y548 L550 E553 S556 M557 V561 N599 G600 R604M457-W602 HydrophobicContact CE-CE3 4.23Å; M457-W602 HydrophobicContact CE-CZ3 4.2Å; R463-W602 HydrophobicContact CB-CD2 3.81Å; R463-W602 HydrophobicContact CB-CE3 4.16Å; R463-W602 HydrophobicContact CB-CG 4.28Å; R463-W602 HydrophobicContact CB-CH2 4.24Å; R463-W602 HydrophobicContact CB-CZ2 3.91Å; R463-W602 HydrophobicContact CB-CZ3 4.36Å; R463-W602 WeakPolarHBondContact CB-O 3.32Å; R463-W602 HydrophobicContact CG-CD2 4.44Å; R463-W602 HydrophobicContact CG-CH2 4.04Å; R463-W602 HydrophobicContact CG-CZ2 3.6Å; R463-W602 PolarHBondContact N-O 3.41Å; R463-W602 VanDerWaalsContact N-O 3.09Å; L466-W602 HydrophobicContact CD2-CH2 4.24Å; L466-W602 HydrophobicContact CD2-CZ3 4.34Å; V486-W602 HydrophobicContact CG1-CZ3 4.23Å; V486-W602 HydrophobicContact CG2-CZ3 4.21Å; Y548-W602 PolarHBondContact OH-N 3.22Å; Y548-W602 VanDerWaalsContact OH-N 3.12Å; L550-W602 HydrophobicContact CD1-CB 4.1Å; L550-W602 HydrophobicContact CD1-CD2 3.9Å; L550-W602 HydrophobicContact CD1-CE3 3.86Å; L550-W602 HydrophobicContact CD1-CG 4.05Å; L550-W602 HydrophobicContact CD2-CB 3.68Å; L550-W602 HydrophobicContact CD2-CG 4.09Å; E553-W602 VanDerWaalsContact CD-CD1 3.45Å; E553-W602 VanDerWaalsContact CG-CD1 3.49Å; E553-W602 HydrophobicContact CG-CG 4.3Å; E553-W602 PolarHBondContact OE2-NE1 2.96Å; S556-W602 PolarHBondContact OG-NE1 2.97Å; M557-W602 HydrophobicContact CE-CD2 4.45Å; M557-W602 HydrophobicContact CE-CE3 4.47Å; M557-W602 HydrophobicContact CE-CH2 3.92Å; M557-W602 HydrophobicContact CE-CZ2 3.86Å; M557-W602 HydrophobicContact CE-CZ3 4.22Å; M557-W602 HydrophobicContact CG-CH2 3.69Å; M557-W602 HydrophobicContact CG-CZ2 3.47Å; M557-W602 VanDerWaalsContact CG-CZ2 3.47Å; V561-W602 HydrophobicContact CG2-CH2 4.05Å; N599-W602 PolarHBondContact O-N 2.81Å; G600-W602 PolarHBondContact O-N 3.03Å; W602-R604 VanDerWaalsContact C-N 3.32Å; W602-R604 PolarHBondContact O-N 2.99Å
603R96.7Very high94.2Very high89 Ų8950.5 Ų50.534%0.33628%0.281SS..THydrogen-bonded Turntrans-82.77.3178.7-62.2-59.5-171.4113.7-2115.1E553 N599 G600 Y601 L605 Q611E553-R603 VanDerWaalsContact CD-NE 3.31Å; E553-R603 IonicContact OE1-CZ 3.17Å; E553-R603 IonicContact OE1-NE 3.91Å; E553-R603 PolarHBondContact OE1-NE 3.19Å; E553-R603 IonicContact OE1-NH2 2.69Å; E553-R603 PolarHBondContact OE1-NH2 3.23Å; E553-R603 IonicContact OE2-CZ 3.94Å; E553-R603 IonicContact OE2-NE 2.58Å; E553-R603 PolarHBondContact OE2-NE 3.26Å; E553-R603 VanDerWaalsContact OE2-NE 3.11Å; E553-R603 IonicContact OE2-NH2 3.25Å; E553-R603 PolarHBondContact OE2-NH2 2.81Å; N599-R603 PolarHBondContact O-N 2.83Å; G600-R603 CarbonylContact O-C 3.56Å; G600-R603 VanDerWaalsContact O-C 3.29Å; G600-R603 WeakPolarHBondContact O-CA 3.31Å; G600-R603 PolarHBondContact O-N 2.8Å; G600-R603 VanDerWaalsContact O-N 3.11Å; Y601-R603 PolarHBondContact O-N 3.14Å; R603-L605 VanDerWaalsContact C-N 3.29Å; R603-L605 HydrophobicContact CB-CD1 4.28Å; R603-L605 HydrophobicContact CB-CG 4.33Å; R603-L605 PolarHBondContact O-N 3.24Å; R603-Q611 HydrophobicContact CG-CB 4.36Å
604R95.8Very high94.4Very high157 Ų15749.2 Ų49.259%0.59227%0.271SS*.THydrogen-bonded Turntrans62.630.1179.4-159-177.2-178.3158.12.2114.2D464 G600 Y601 W602D464-R604 VanDerWaalsContact OD2-CD 3.29Å; D464-R604 WeakPolarHBondContact OD2-CD 3.19Å; D464-R604 IonicContact OD2-CZ 3.82Å; D464-R604 IonicContact OD2-NE 2.69Å; D464-R604 IonicContact OD2-NH1 2.82Å; D464-R604 PolarHBondContact OD2-NH1 2.68Å; G600-R604 PolarHBondContact O-N 3.39Å; Y601-R604 PolarHBondContact O-N 3.16Å; W602-R604 VanDerWaalsContact C-N 3.32Å; W602-R604 PolarHBondContact O-N 2.99Å
605L97Very high94.7Very high52 Ų5247.9 Ų47.927%0.27225%0.253SS..SBendtrans-104.2-175.8172.9-57175.3000110.3G600 R603 E609 Q611G600-L605 PolarHBondContact O-N 2.71Å; R603-L605 VanDerWaalsContact C-N 3.29Å; R603-L605 HydrophobicContact CB-CD1 4.28Å; R603-L605 HydrophobicContact CB-CG 4.33Å; R603-L605 PolarHBondContact O-N 3.24Å; L605-E609 HydrophobicContact CB-CB 4.15Å; L605-E609 HydrophobicContact CB-CG 4.49Å; L605-E609 HydrophobicContact CD1-CB 4.32Å; L605-Q611 HydrophobicContact CD1-CB 4.06Å
606A97.2Very high95.2Very high3 Ų343.1 Ų43.13%0.02523%0.227CC..  trans-65.8140.5167.500000110.4Y181 L182 G600 L608 E609Y181-A606 CarbonylContact O-C 3.57Å; L182-A606 VanDerWaalsContact C-CB 3.48Å; L182-A606 WeakPolarHBondContact O-CB 3.46Å; G600-A606 WeakPolarHBondContact CA-O 3.43Å; A606-L608 HydrophobicContact CB-CD2 3.6Å; A606-L608 PolarHBondContact O-N 3.48Å; A606-E609 HydrophobicContact CB-CG 4.24Å; A606-E609 VanDerWaalsContact CB-OE1 3.24Å; A606-E609 WeakPolarHBondContact CB-OE1 3.4Å; A606-E609 PolarHBondContact N-OE1 3.28Å; A606-E609 WeakPolarHBondContact O-CB 3.46Å; A606-E609 PolarHBondContact O-N 3.04Å
607G97.6Very high95.5Very high0 Ų042.4 Ų42.40%022%0.218CC..THydrogen-bonded Turntrans-59-20.1-173.200000116S180 Y181 C598S180-G607 PolarHBondContact O-N 2.9Å; S180-G607 VanDerWaalsContact O-N 3.14Å; Y181-G607 VanDerWaalsContact CE2-C 3.48Å; Y181-G607 WeakPolarHBondContact CE2-O 3.45Å; Y181-G607 CarbonylContact O-C 3.57Å; Y181-G607 PolarHBondContact O-N 2.82Å; C598-G607 WeakPolarHBondContact CB-O 3.2Å; C598-G607 PolarHBondContact SG-O 2.93Å
608L96.4Very high95.5Very high23 Ų2344.5 Ų44.512%0.1223%0.228CC..THydrogen-bonded Turntrans-80.5-12.7174.593176.2000114.3Y181 L182 V215 Y546 A606Y181-L608 HydrophobicContact CD1-CB 4.21Å; Y181-L608 HydrophobicContact CD2-CB 4.24Å; Y181-L608 HydrophobicContact CE1-CB 3.64Å; Y181-L608 VanDerWaalsContact CE2-CA 3.46Å; Y181-L608 HydrophobicContact CE2-CB 3.7Å; Y181-L608 HydrophobicContact CG-CB 4.46Å; Y181-L608 VanDerWaalsContact O-CD2 3.3Å; Y181-L608 WeakPolarHBondContact O-CD2 3.47Å; Y181-L608 PolarHBondContact O-N 2.86Å; L182-L608 HydrophobicContact CG-CD1 4.37Å; V215-L608 HydrophobicContact CG2-CD1 4.38Å; Y546-L608 HydrophobicContact CD2-CB 4.29Å; Y546-L608 HydrophobicContact CE2-CB 4.4Å; A606-L608 HydrophobicContact CB-CD2 3.6Å; A606-L608 PolarHBondContact O-N 3.48Å
609E96.7Very high95.4Very high75 Ų7547.6 Ų47.635%0.3525%0.245SC..  trans-76.4150.1-176.4-69.3176.9-119.900111.6C598 N599 G600 L605 A606C598-E609 WeakPolarHBondContact CB-O 3.47Å; N599-E609 PolarHBondContact N-O 2.75Å; G600-E609 WeakPolarHBondContact CA-O 3.22Å; G600-E609 PolarHBondContact N-O 3.43Å; L605-E609 HydrophobicContact CB-CB 4.15Å; L605-E609 HydrophobicContact CB-CG 4.49Å; L605-E609 HydrophobicContact CD1-CB 4.32Å; A606-E609 HydrophobicContact CB-CG 4.24Å; A606-E609 VanDerWaalsContact CB-OE1 3.24Å; A606-E609 WeakPolarHBondContact CB-OE1 3.4Å; A606-E609 PolarHBondContact N-OE1 3.28Å; A606-E609 WeakPolarHBondContact O-CB 3.46Å; A606-E609 PolarHBondContact O-N 3.04Å
610L96.1Very high95.3Very high55 Ų5551.3 Ų51.329%0.28826%0.263SS..  trans-120.3114.5172.3-175.867.3000109L592 A594 D597 N599L592-L610 HydrophobicContact CB-CD1 4.24Å; L592-L610 HydrophobicContact CB-CD2 4.33Å; L592-L610 HydrophobicContact CD1-CD1 4.18Å; L592-L610 HydrophobicContact CD2-CD1 4.42Å; A594-L610 HydrophobicContact CB-CD2 4.48Å; D597-L610 HydrophobicContact CB-CD1 4.11Å; D597-L610 HydrophobicContact CB-CD2 4.41Å; N599-L610 WeakPolarHBondContact OD1-CA 3.5Å
611Q93.5Very high95.1Very high77 Ų7755.6 Ų55.636%0.3629%0.285SS..  trans-106.6115.5170.5176.5173.99700108.3N599 R603 L605N599-Q611 PolarHBondContact ND2-O 3.47Å; N599-Q611 PolarHBondContact OD1-N 2.72Å; N599-Q611 PolarHBondContact OD1-O 2.71Å; R603-Q611 HydrophobicContact CG-CB 4.36Å; L605-Q611 HydrophobicContact CD1-CB 4.06Å
612A77.9Confident94.8Very high126 Ų12660.2 Ų60.2100%1.04131%0.309SS*.  trans-71.10176.800000112.7

Retrieved 612 of 612 residues in 832.2 ms (Link to these results)

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