G4LW06_SCHMA Loading...

MKRN2 opposite strand protein

AlphaFold DB , UniProt , Accession G4LW06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 270 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
1M44.1Very low72.1Confident203 Ų20363.4 Ų63.4100%131%0.311SS*.  0136.50-71.3171.7-162.700108.1H3M1-H3 PolarHBondContact O-N 2.95Å; M1-H3 VanDerWaalsContact O-N 3.13Å
2I47.7Very low72.6Confident161 Ų16164.7 Ų64.783%0.82633%0.331SS*.  trans-70.8107.3168.9-61.5171.3000105.5S4I2-S4 PolarHBondContact O-N 3.07Å; I2-S4 VanDerWaalsContact O-N 3.16Å
3H61.3Low73Confident75 Ų7562.3 Ų62.335%0.34732%0.323SS..  trans-67.5115.9175.1-70.5-63.4000108.5M1 K5 L51 F53M1-H3 PolarHBondContact O-N 2.95Å; M1-H3 VanDerWaalsContact O-N 3.13Å; H3-K5 PolarHBondContact O-N 3.48Å; H3-L51 HydrophobicContact CB-CD1 4.24Å; H3-L51 HydrophobicContact CB-CD2 4.45Å; H3-F53 AromaticContact CE1-CE2 3.93Å; H3-F53 AromaticContact CE1-CZ 3.76Å; H3-F53 AromaticContact ND1-CZ 3.89Å
4S68.4Low73.2Confident34 Ų3460.6 Ų60.624%0.23831%0.312CS..PPolyproline II helixtrans-54.9122.7174.2-57.60000109.1I2 N28 Y244I2-S4 PolarHBondContact O-N 3.07Å; I2-S4 VanDerWaalsContact O-N 3.16Å; S4-N28 WeakPolarHBondContact CA-OD1 3.39Å; S4-Y244 PolarHBondContact O-OH 2.97Å
5K79.9Confident73.5Confident117 Ų11758.1 Ų58.151%0.50930%0.3SS..PPolyproline II helixtrans-88.3120.5179.8-64.8176.3-176.1174.30108H3 N28H3-K5 PolarHBondContact O-N 3.48Å; K5-N28 PolarHBondContact N-OD1 2.79Å; K5-N28 PolarHBondContact O-N 3.23Å
6I84.2Confident73.4Confident0 Ų065.9 Ų65.90%033%0.331CS..EExtended strand (participates in β ladder)trans-84.1123.8169.7-59.9166.5000108.5C25 L27 L49 Y244 I247 I248 L251I6-C25 HydrophobicContact CG2-CB 3.97Å; I6-L27 HydrophobicContact CG1-CD2 4.03Å; I6-L49 HydrophobicContact CB-CB 4.12Å; I6-L49 HydrophobicContact CB-CD2 4.14Å; I6-L49 HydrophobicContact CG2-CB 4.45Å; I6-L49 HydrophobicContact CG2-CD1 4.45Å; I6-L49 HydrophobicContact CG2-CD2 3.76Å; I6-L49 HydrophobicContact CG2-CG 4.45Å; I6-L49 PolarHBondContact O-N 2.88Å; I6-Y244 HydrophobicContact CD1-CD2 4.11Å; I6-Y244 HydrophobicContact CD1-CE1 4.29Å; I6-Y244 HydrophobicContact CD1-CE2 3.7Å; I6-Y244 HydrophobicContact CG1-CE2 4.42Å; I6-I247 HydrophobicContact CD1-CB 4Å; I6-I247 HydrophobicContact CD1-CG2 3.52Å; I6-I247 HydrophobicContact CG1-CG2 4.34Å; I6-I247 HydrophobicContact CG2-CG2 4.17Å; I6-I248 HydrophobicContact CD1-CG1 3.7Å; I6-I248 HydrophobicContact CG1-CG1 4.37Å; I6-L251 HydrophobicContact CG1-CD1 4.23Å; I6-L251 HydrophobicContact CG2-CD1 4.17Å
7L83.8Confident73.1Confident30 Ų3070.2 Ų70.216%0.15735%0.349CS..EExtended strand (participates in β ladder)trans-107.3130173.3-60.8174.9000107.9C25 A26 V46 K48L7-C25 CarbonylContact O-C 3.48Å; L7-C25 VanDerWaalsContact O-CA 3.32Å; L7-C25 WeakPolarHBondContact O-CA 3.3Å; L7-A26 PolarHBondContact N-O 3.36Å; L7-A26 PolarHBondContact O-N 3.37Å; L7-V46 HydrophobicContact CB-CG1 4.1Å; L7-V46 HydrophobicContact CD2-CG1 4.29Å; L7-K48 HydrophobicContact CD2-CB 4.19Å; L7-K48 HydrophobicContact CD2-CG 4.23Å
8A83.5Confident72.7Confident0 Ų075.7 Ų75.70%038%0.38CS..EExtended strand (participates in β ladder)trans-116.5135-178.900000109.6Y23 L24 V47 L49 L262A8-Y23 HydrophobicContact CB-CD1 4.13Å; A8-Y23 HydrophobicContact CB-CG 4.35Å; A8-L24 CarbonylContact C-O 3.56Å; A8-L24 WeakPolarHBondContact CA-O 3.49Å; A8-V47 HydrophobicContact CB-CB 4.42Å; A8-V47 PolarHBondContact N-O 3.02Å; A8-V47 PolarHBondContact O-N 2.92Å; A8-L49 HydrophobicContact CB-CD1 3.38Å; A8-L262 HydrophobicContact CB-CD1 4.22Å
9V82.1Confident72.3Confident2 Ų279.6 Ų79.61%0.01240%0.402CS..EExtended strand (participates in β ladder)trans-123.9124.9179.2-177.90000108.9Y23 L24 P31 L41 E44 V46V9-Y23 WeakPolarHBondContact O-CA 3.45Å; V9-L24 PolarHBondContact N-O 3.38Å; V9-L24 PolarHBondContact O-N 3.41Å; V9-P31 HydrophobicContact CB-CG 4.05Å; V9-P31 HydrophobicContact CG2-CG 3.61Å; V9-L41 HydrophobicContact CG1-CD1 4.36Å; V9-E44 HydrophobicContact CG1-CB 3.44Å; V9-E44 VanDerWaalsContact CG1-CB 3.44Å; V9-E44 HydrophobicContact CG1-CG 4.13Å; V9-V46 HydrophobicContact CG2-CB 4.37Å; V9-V46 HydrophobicContact CG2-CG1 4.19Å; V9-V46 HydrophobicContact CG2-CG2 3.94Å
10K80.6Confident72.1Confident66 Ų6677.9 Ų77.929%0.28739%0.394SS..EExtended strand (participates in β ladder)trans-75.6135.6169.7-165.7171.6-176.4171.90107.7N15 D20 Y23 E44K10-N15 WeakPolarHBondContact CE-OD1 3.42Å; K10-N15 WeakPolarHBondContact CG-ND2 3.23Å; K10-D20 WeakPolarHBondContact CE-O 3.08Å; K10-D20 PolarHBondContact NZ-O 2.77Å; K10-D20 VanDerWaalsContact NZ-O 3.1Å; K10-Y23 HydrophobicContact CB-CD1 4.06Å; K10-Y23 HydrophobicContact CB-CE1 3.83Å; K10-Y23 HydrophobicContact CG-CE1 4.44Å; K10-E44 VanDerWaalsContact O-OE2 3.08Å
11H77.2Confident72.3Confident9 Ų977.9 Ų77.94%0.04239%0.393CS..  trans-143.9139.2178.3-175.5-94.6000111.4C13 F14 N15 C34 L41 E44H11-C13 VanDerWaalsContact C-N 3.28Å; H11-C13 PolarHBondContact CE1-SG 3.03Å; H11-C13 WeakPolarHBondContact ND1-CB 3.44Å; H11-C13 PolarHBondContact ND1-N 3.11Å; H11-C13 VanDerWaalsContact ND1-N 3.18Å; H11-C13 PolarHBondContact O-N 2.87Å; H11-C13 VanDerWaalsContact O-N 3.17Å; H11-F14 HydrophobicContact CB-CD2 4.4Å; H11-F14 PolarHBondContact O-N 2.79Å; H11-F14 VanDerWaalsContact O-N 3.08Å; H11-N15 PolarHBondContact O-N 3.17Å; H11-N15 PolarHBondContact O-ND2 3.21Å; H11-C34 VanDerWaalsContact CE1-CB 3.42Å; H11-C34 WeakPolarHBondContact CE1-CB 3.5Å; H11-C34 PolarHBondContact CE1-SG 2.96Å; H11-C34 PolarHBondContact ND1-SG 2.99Å; H11-L41 HydrophobicContact CB-CD2 4.32Å; H11-L41 WeakPolarHBondContact CD2-CD2 3.32Å; H11-E44 IonicContact CD2-OE1 3.52Å; H11-E44 PolarHBondContact CD2-OE1 3.48Å
12S78.1Confident74Confident79 Ų7968.8 Ų68.855%0.55235%0.348SS*.G310 helixtrans-54.6-35-174.657.90000114.5F14 N15S12-F14 PolarHBondContact O-N 3.12Å; S12-F14 VanDerWaalsContact O-N 3.11Å; S12-N15 CarbonylContact O-C 3.36Å; S12-N15 PolarHBondContact O-N 3.45Å
13C78.5Confident75.6Confident34 Ų3461.9 Ų61.923%0.2331%0.312CS..G310 helixtrans-58.5-28.1178.4-72.60000114.7H11 Q36 C37H11-C13 VanDerWaalsContact C-N 3.28Å; H11-C13 PolarHBondContact CE1-SG 3.03Å; H11-C13 WeakPolarHBondContact ND1-CB 3.44Å; H11-C13 PolarHBondContact ND1-N 3.11Å; H11-C13 VanDerWaalsContact ND1-N 3.18Å; H11-C13 PolarHBondContact O-N 2.87Å; H11-C13 VanDerWaalsContact O-N 3.17Å; C13-Q36 HydrophobicContact CB-CB 3.98Å; C13-Q36 HydrophobicContact CB-CG 4.16Å; C13-C37 VanDerWaalsContact SG-CB 3.57Å; C13-C37 PolarHBondContact SG-SG 2.92Å
14F75.2Confident76.6Confident39 Ų3958.5 Ų58.517%0.17130%0.296CS..G310 helixtrans-100.3-6.1178.4-55.9-71.2000112.1H11 S12 N22 L24 Q36 V258H11-F14 HydrophobicContact CB-CD2 4.4Å; H11-F14 PolarHBondContact O-N 2.79Å; H11-F14 VanDerWaalsContact O-N 3.08Å; S12-F14 PolarHBondContact O-N 3.12Å; S12-F14 VanDerWaalsContact O-N 3.11Å; F14-N22 HydrophobicContact CB-CB 3.73Å; F14-N22 WeakPolarHBondContact O-CB 3.39Å; F14-N22 PolarHBondContact O-ND2 2.9Å; F14-L24 HydrophobicContact CE2-CD1 4.13Å; F14-L24 HydrophobicContact CZ-CD1 4.4Å; F14-Q36 HydrophobicContact CE1-CB 4.33Å; F14-Q36 HydrophobicContact CZ-CB 4.02Å; F14-V258 HydrophobicContact CB-CG1 4.33Å; F14-V258 HydrophobicContact CD1-CG1 3.95Å; F14-V258 HydrophobicContact CD1-CG2 3.93Å; F14-V258 HydrophobicContact CE1-CG2 3.64Å; F14-V258 HydrophobicContact CE2-CG2 4.47Å; F14-V258 HydrophobicContact CG-CG1 4.13Å; F14-V258 HydrophobicContact CG-CG2 4.48Å; F14-V258 HydrophobicContact CZ-CG2 3.93Å
15N77.5Confident77.3Confident23 Ų2356.9 Ų56.912%0.12329%0.285CS..  trans-125.372.2-176-61.7-79.8000108.7K10 H11 S12 D20 E21 N22K10-N15 WeakPolarHBondContact CE-OD1 3.42Å; K10-N15 WeakPolarHBondContact CG-ND2 3.23Å; H11-N15 PolarHBondContact O-N 3.17Å; H11-N15 PolarHBondContact O-ND2 3.21Å; S12-N15 CarbonylContact O-C 3.36Å; S12-N15 PolarHBondContact O-N 3.45Å; N15-D20 HydrophobicContact CB-CB 4.07Å; N15-D20 PolarHBondContact OD1-O 3.43Å; N15-E21 WeakPolarHBondContact OD1-CA 3.03Å; N15-E21 PolarHBondContact OD1-N 3.1Å; N15-N22 PolarHBondContact ND2-O 3.18Å; N15-N22 PolarHBondContact OD1-N 3.3Å
16K72.2Confident77.4Confident183 Ų18352.2 Ų52.280%0.79627%0.268SS*.  trans-81-28.4-175.8-68.4-175.8-179.41790112.1
17E69.1Low77.4Confident139 Ų13954.3 Ų54.365%0.6528%0.279SS*.SBendtrans-105.4145.7173-61.9-178.8-175.300108.9N19 D20E17-N19 PolarHBondContact O-N 3.44Å; E17-D20 WeakPolarHBondContact O-CB 3.48Å; E17-D20 PolarHBondContact O-N 3.44Å
18D64.6Low77.2Confident169 Ų16957 Ų5790%0.90429%0.294SS*.THydrogen-bonded Turntrans-58.1-23.7-177.4-80.4-24.8000113.3
19N66.6Low77.1Confident150 Ų15064.9 Ų64.980%0.80233%0.328SS*.THydrogen-bonded Turntrans-86.2-7.4179.5-72.7-21.3000114.2E17E17-N19 PolarHBondContact O-N 3.44Å
20D67.8Low76.7Confident45 Ų4567.6 Ų67.624%0.24135%0.347CS..  trans-73.3131.6175.4-77.3-34.7000110K10 N15 E17K10-D20 WeakPolarHBondContact CE-O 3.08Å; K10-D20 PolarHBondContact NZ-O 2.77Å; K10-D20 VanDerWaalsContact NZ-O 3.1Å; N15-D20 HydrophobicContact CB-CB 4.07Å; N15-D20 PolarHBondContact OD1-O 3.43Å; E17-D20 WeakPolarHBondContact O-CB 3.48Å; E17-D20 PolarHBondContact O-N 3.44Å
21E75.4Confident76.4Confident78 Ų7865.3 Ų65.336%0.36434%0.339SS..  trans-124.458174.1-67.3-166.7145.200109.7N15 Y23 R261N15-E21 WeakPolarHBondContact OD1-CA 3.03Å; N15-E21 PolarHBondContact OD1-N 3.1Å; E21-Y23 HydrophobicContact CB-CE2 4.07Å; E21-Y23 WeakPolarHBondContact O-CD2 3.45Å; E21-Y23 VanDerWaalsContact O-CE2 3.3Å; E21-Y23 WeakPolarHBondContact O-CE2 3.35Å; E21-R261 HydrophobicContact CB-CG 4.36Å; E21-R261 WeakPolarHBondContact O-CA 3.48Å; E21-R261 PolarHBondContact O-N 3.12Å
22N79.9Confident76.5Confident11 Ų1172.2 Ų72.26%0.05937%0.371CS..EExtended strand (participates in β ladder)trans-90.5130.2-180-60.7-38.7000110.4F14 N15 V258 M259 K260F14-N22 HydrophobicContact CB-CB 3.73Å; F14-N22 WeakPolarHBondContact O-CB 3.39Å; F14-N22 PolarHBondContact O-ND2 2.9Å; N15-N22 PolarHBondContact ND2-O 3.18Å; N15-N22 PolarHBondContact OD1-N 3.3Å; N22-V258 HydrophobicContact CB-CG1 4.08Å; N22-M259 CarbonylContact C-O 3.58Å; N22-M259 WeakPolarHBondContact CA-O 3.36Å; N22-K260 VanDerWaalsContact OD1-CA 3.25Å; N22-K260 WeakPolarHBondContact OD1-CA 3.09Å; N22-K260 WeakPolarHBondContact OD1-CB 3.43Å; N22-K260 WeakPolarHBondContact OD1-CG 3.49Å
23Y81.9Confident76.6Confident17 Ų1773.9 Ų73.97%0.06737%0.369CS..EExtended strand (participates in β ladder)trans-120.6139.2-176.3-66.1-92.4000111.4A8 V9 K10 E21 V47 V258 M259 L262A8-Y23 HydrophobicContact CB-CD1 4.13Å; A8-Y23 HydrophobicContact CB-CG 4.35Å; V9-Y23 WeakPolarHBondContact O-CA 3.45Å; K10-Y23 HydrophobicContact CB-CD1 4.06Å; K10-Y23 HydrophobicContact CB-CE1 3.83Å; K10-Y23 HydrophobicContact CG-CE1 4.44Å; E21-Y23 HydrophobicContact CB-CE2 4.07Å; E21-Y23 WeakPolarHBondContact O-CD2 3.45Å; E21-Y23 VanDerWaalsContact O-CE2 3.3Å; E21-Y23 WeakPolarHBondContact O-CE2 3.35Å; Y23-V47 HydrophobicContact CE1-CG2 4.39Å; Y23-V258 WeakPolarHBondContact O-CA 3.49Å; Y23-M259 PolarHBondContact N-O 2.82Å; Y23-M259 PolarHBondContact O-N 3.08Å; Y23-L262 HydrophobicContact CD1-CD1 3.97Å; Y23-L262 HydrophobicContact CD2-CD1 3.58Å; Y23-L262 HydrophobicContact CD2-CG 3.83Å; Y23-L262 HydrophobicContact CE1-CD1 4.11Å; Y23-L262 HydrophobicContact CE2-CB 4.37Å; Y23-L262 HydrophobicContact CE2-CD1 3.74Å; Y23-L262 HydrophobicContact CE2-CG 4.09Å; Y23-L262 HydrophobicContact CG-CD1 3.71Å; Y23-L262 HydrophobicContact CG-CG 4.33Å
24L81.3Confident76.5Confident3 Ų372.3 Ų72.32%0.01636%0.358CS..EExtended strand (participates in β ladder)trans-89.7116.2170.4-167.771.9000109.1A8 V9 F14 P31 L41 L256 V258A8-L24 CarbonylContact C-O 3.56Å; A8-L24 WeakPolarHBondContact CA-O 3.49Å; V9-L24 PolarHBondContact N-O 3.38Å; V9-L24 PolarHBondContact O-N 3.41Å; F14-L24 HydrophobicContact CE2-CD1 4.13Å; F14-L24 HydrophobicContact CZ-CD1 4.4Å; L24-P31 HydrophobicContact CD2-CB 3.68Å; L24-P31 HydrophobicContact CD2-CG 3.77Å; L24-P31 HydrophobicContact CG-CB 4.47Å; L24-P31 HydrophobicContact CG-CG 4.28Å; L24-L41 HydrophobicContact CD2-CD1 4.15Å; L24-L256 HydrophobicContact CD1-CD2 3.37Å; L24-L256 HydrophobicContact CD2-CD2 4.17Å; L24-L256 HydrophobicContact CG-CD2 3.74Å; L24-V258 HydrophobicContact CD1-CG2 4.35Å
25C83.9Confident76.3Confident0 Ų076 Ų760%038%0.379CS..EExtended strand (participates in β ladder)trans-98.7144.2-177.2-640000112I6 L7 I247 L251 Q257I6-C25 HydrophobicContact CG2-CB 3.97Å; L7-C25 CarbonylContact O-C 3.48Å; L7-C25 VanDerWaalsContact O-CA 3.32Å; L7-C25 WeakPolarHBondContact O-CA 3.3Å; C25-I247 HydrophobicContact CB-CG2 4.29Å; C25-L251 HydrophobicContact CB-CD1 4.12Å; C25-L251 HydrophobicContact CB-CD2 4.44Å; C25-L251 VanDerWaalsContact O-CD2 3.27Å; C25-L251 WeakPolarHBondContact O-CD2 3.19Å; C25-Q257 PolarHBondContact N-O 3.42Å
26A83.2Confident76.3Confident19 Ų1981.6 Ų81.616%0.15740%0.404CS..EExtended strand (participates in β ladder)trans-146151.6175.200000111.7L7 K29L7-A26 PolarHBondContact N-O 3.36Å; L7-A26 PolarHBondContact O-N 3.37Å; A26-K29 WeakPolarHBondContact CB-O 3.38Å
27L83.2Confident76.8Confident44 Ų4475.9 Ų75.923%0.2339%0.386CS..EExtended strand (participates in β ladder)trans-88.1127.4177.5-71.1164.3000111I6 K29 L251 E252I6-L27 HydrophobicContact CG1-CD2 4.03Å; L27-K29 PolarHBondContact O-N 2.74Å; L27-L251 HydrophobicContact CD1-CB 3.42Å; L27-L251 VanDerWaalsContact CD1-CB 3.42Å; L27-L251 HydrophobicContact CD2-CB 4.38Å; L27-L251 HydrophobicContact CD2-CD1 4.19Å; L27-L251 HydrophobicContact CG-CB 3.59Å; L27-L251 HydrophobicContact CG-CD1 3.84Å; L27-L251 HydrophobicContact CG-CG 4.36Å; L27-E252 HydrophobicContact CD1-CG 3.91Å
28N80.2Confident77.4Confident88 Ų8871.3 Ų71.347%0.47138%0.377SS..SBendtrans62.8-21169.3-58.4-45.6000117.2S4 K5S4-N28 WeakPolarHBondContact CA-OD1 3.39Å; K5-N28 PolarHBondContact N-OD1 2.79Å; K5-N28 PolarHBondContact O-N 3.23Å
29K80Confident78.4Confident165 Ų16567 Ų6772%0.71736%0.357SS*.SBendtrans-133.3138.7177.7-65.2-176179.7-178.20109.5A26 L27A26-K29 WeakPolarHBondContact CB-O 3.38Å; L27-K29 PolarHBondContact O-N 2.74Å
30S73.9Confident79.1Confident59 Ų5964 Ų6441%0.41334%0.34SS..  trans-63.5142.117551.70000109.4E32S30-E32 PolarHBondContact O-N 2.72Å
31P73.9Confident79.5Confident18 Ų1863 Ų6312%0.11733%0.334CS..  trans-61.113017424.5-30.4000109.7V9 L24 L41V9-P31 HydrophobicContact CB-CG 4.05Å; V9-P31 HydrophobicContact CG2-CG 3.61Å; L24-P31 HydrophobicContact CD2-CB 3.68Å; L24-P31 HydrophobicContact CD2-CG 3.77Å; L24-P31 HydrophobicContact CG-CB 4.47Å; L24-P31 HydrophobicContact CG-CG 4.28Å; P31-L41 HydrophobicContact CB-CD1 3.91Å; P31-L41 HydrophobicContact CG-CD1 3.89Å; P31-L41 WeakPolarHBondContact O-CD1 3.25Å
32E79.2Confident79.3Confident153 Ų15366.7 Ų66.772%0.71535%0.349SS*.SBendtrans-82.9-24.3-177.5-66.5-178.4-178.700113S30 I40 L41S30-E32 PolarHBondContact O-N 2.72Å; E32-I40 CarbonylContact O-C 3.57Å; E32-I40 WeakPolarHBondContact O-CA 3.22Å; E32-I40 WeakPolarHBondContact O-CG2 3.32Å; E32-L41 PolarHBondContact O-N 3.47Å
33K80.1Confident78.8Confident115 Ų11574.2 Ų74.250%0.539%0.389SS..BIsolated β-bridgetrans-140.3144.4-177.1-62.8-179.2-176.5176.30110.8L35 T39 I40K33-L35 PolarHBondContact O-N 2.87Å; K33-T39 CarbonylContact C-O 3.59Å; K33-T39 VanDerWaalsContact CA-O 3.23Å; K33-T39 WeakPolarHBondContact CA-O 3.39Å; K33-I40 HydrophobicContact CG-CG1 4.22Å
34C77.7Confident78.2Confident1 Ų176.7 Ų76.71%0.00740%0.401CS..  trans-67.2126165.6-179.90000109H11 Q36 C37 G38 T39 L41H11-C34 VanDerWaalsContact CE1-CB 3.42Å; H11-C34 WeakPolarHBondContact CE1-CB 3.5Å; H11-C34 PolarHBondContact CE1-SG 2.96Å; H11-C34 PolarHBondContact ND1-SG 2.99Å; C34-Q36 VanDerWaalsContact C-N 3.29Å; C34-Q36 PolarHBondContact O-N 3.34Å; C34-Q36 PolarHBondContact SG-N 2.84Å; C34-Q36 VanDerWaalsContact SG-N 3.44Å; C34-C37 VanDerWaalsContact CB-SG 3.56Å; C34-C37 VanDerWaalsContact SG-SG 3.68Å; C34-G38 WeakPolarHBondContact O-CA 3.22Å; C34-G38 PolarHBondContact O-N 2.89Å; C34-T39 PolarHBondContact N-O 2.77Å; C34-L41 HydrophobicContact CB-CD2 4.12Å
35L70.9Confident77.9Confident115 Ų11582.3 Ų82.360%0.60243%0.43SS*.THydrogen-bonded Turntrans-72.8-22.5179.2-63179.6000113.7K33 L256K33-L35 PolarHBondContact O-N 2.87Å; L35-L256 HydrophobicContact CD1-CB 4.05Å; L35-L256 HydrophobicContact CD1-CD1 3.5Å; L35-L256 VanDerWaalsContact CD1-CD1 3.5Å; L35-L256 HydrophobicContact CD1-CD2 3.53Å; L35-L256 HydrophobicContact CD1-CG 3.84Å; L35-L256 HydrophobicContact CG-CD2 4.42Å
36Q77.4Confident77.5Confident142 Ų14285.4 Ų85.466%0.66445%0.449SS*.THydrogen-bonded Turntrans-76.6-42.1-179.3-172.365.217.500112.2C13 F14 C34C13-Q36 HydrophobicContact CB-CB 3.98Å; C13-Q36 HydrophobicContact CB-CG 4.16Å; F14-Q36 HydrophobicContact CE1-CB 4.33Å; F14-Q36 HydrophobicContact CZ-CB 4.02Å; C34-Q36 VanDerWaalsContact C-N 3.29Å; C34-Q36 PolarHBondContact O-N 3.34Å; C34-Q36 PolarHBondContact SG-N 2.84Å; C34-Q36 VanDerWaalsContact SG-N 3.44Å
37C83.3Confident77.4Confident62 Ų6284.7 Ų84.742%0.41944%0.443SS..THydrogen-bonded Turntrans-116.5-6.3-176.467.40000114.3C13 C34 T39C13-C37 VanDerWaalsContact SG-CB 3.57Å; C13-C37 PolarHBondContact SG-SG 2.92Å; C34-C37 VanDerWaalsContact CB-SG 3.56Å; C34-C37 VanDerWaalsContact SG-SG 3.68Å; C37-T39 PolarHBondContact O-N 2.83Å; C37-T39 WeakPolarHBondContact SG-CB 3.16Å; C37-T39 PolarHBondContact SG-N 2.79Å; C37-T39 PolarHBondContact SG-OG1 2.83Å
38G81.9Confident77.4Confident44 Ų4485.6 Ų85.645%0.45445%0.445SS..  trans74.1-1.7-176.800000115C34C34-G38 WeakPolarHBondContact O-CA 3.22Å; C34-G38 PolarHBondContact O-N 2.89Å
39T83.9Confident77.6Confident78 Ų7881.5 Ų81.548%0.47942%0.423SS..  trans-63.7136.1-177.3-57.90000110.5K33 C34 C37 L41K33-T39 CarbonylContact C-O 3.59Å; K33-T39 VanDerWaalsContact CA-O 3.23Å; K33-T39 WeakPolarHBondContact CA-O 3.39Å; C34-T39 PolarHBondContact N-O 2.77Å; C37-T39 PolarHBondContact O-N 2.83Å; C37-T39 WeakPolarHBondContact SG-CB 3.16Å; C37-T39 PolarHBondContact SG-N 2.79Å; C37-T39 PolarHBondContact SG-OG1 2.83Å; T39-L41 PolarHBondContact O-N 2.79Å
40I82.1Confident77.8Confident88 Ų8877.3 Ų77.345%0.45141%0.407SS..BIsolated β-bridgetrans-70127.5177.9-59.3172.8000108.7E32 K33 K42E32-I40 CarbonylContact O-C 3.57Å; E32-I40 WeakPolarHBondContact O-CA 3.22Å; E32-I40 WeakPolarHBondContact O-CG2 3.32Å; K33-I40 HydrophobicContact CG-CG1 4.22Å; I40-K42 HydrophobicContact CG2-CB 4.38Å; I40-K42 HydrophobicContact CG2-CD 3.73Å; I40-K42 HydrophobicContact CG2-CG 3.68Å; I40-K42 PolarHBondContact O-N 3.25Å
41L77.1Confident78.5Confident23 Ų2377.2 Ų77.212%0.1240%0.402CS..  trans-82.462.2178.8-56.2171.8000109.6V9 H11 L24 P31 E32 C34 T39 E44V9-L41 HydrophobicContact CG1-CD1 4.36Å; H11-L41 HydrophobicContact CB-CD2 4.32Å; H11-L41 WeakPolarHBondContact CD2-CD2 3.32Å; L24-L41 HydrophobicContact CD2-CD1 4.15Å; P31-L41 HydrophobicContact CB-CD1 3.91Å; P31-L41 HydrophobicContact CG-CD1 3.89Å; P31-L41 WeakPolarHBondContact O-CD1 3.25Å; E32-L41 PolarHBondContact O-N 3.47Å; C34-L41 HydrophobicContact CB-CD2 4.12Å; T39-L41 PolarHBondContact O-N 2.79Å; L41-E44 HydrophobicContact CB-CG 4.31Å; L41-E44 HydrophobicContact CD2-CG 3.88Å
42K70.2Confident79.1Confident155 Ų15576.8 Ų76.867%0.67440%0.399SS*.SBendtrans-89.8126.6166.7-80.5166.4-179.7-174.40106.1I40I40-K42 HydrophobicContact CG2-CB 4.38Å; I40-K42 HydrophobicContact CG2-CD 3.73Å; I40-K42 HydrophobicContact CG2-CG 3.68Å; I40-K42 PolarHBondContact O-N 3.25Å
43D68.7Low79.7Confident169 Ų16970.2 Ų70.290%0.90437%0.368SS*.SBendtrans81.28.1176.1-40.6-42000117
44E70.8Confident80.2Confident69 Ų6967.5 Ų67.532%0.32236%0.363SS..  trans-76.8146.6171.6-68.2-72.8-171.900112V9 K10 H11 L41 V46V9-E44 HydrophobicContact CG1-CB 3.44Å; V9-E44 VanDerWaalsContact CG1-CB 3.44Å; V9-E44 HydrophobicContact CG1-CG 4.13Å; K10-E44 VanDerWaalsContact O-OE2 3.08Å; H11-E44 IonicContact CD2-OE1 3.52Å; H11-E44 PolarHBondContact CD2-OE1 3.48Å; L41-E44 HydrophobicContact CB-CG 4.31Å; L41-E44 HydrophobicContact CD2-CG 3.88Å; E44-V46 PolarHBondContact O-N 2.78Å; E44-V46 VanDerWaalsContact O-N 3.12Å
45I73.2Confident80.9Confident121 Ų12170.2 Ų70.262%0.62138%0.378SS*.  trans-69.5111.4177.5-58.9173.6000108.9V47I45-V47 HydrophobicContact CG2-CG2 4.32Å
46V77.3Confident82Confident66 Ų6664.7 Ų64.740%0.435%0.349SS..EExtended strand (participates in β ladder)trans-90.2115.3173.9-1720000109.1L7 V9 E44L7-V46 HydrophobicContact CB-CG1 4.1Å; L7-V46 HydrophobicContact CD2-CG1 4.29Å; V9-V46 HydrophobicContact CG2-CB 4.37Å; V9-V46 HydrophobicContact CG2-CG1 4.19Å; V9-V46 HydrophobicContact CG2-CG2 3.94Å; E44-V46 PolarHBondContact O-N 2.78Å; E44-V46 VanDerWaalsContact O-N 3.12Å
47V79.6Confident82.9Confident4 Ų459.4 Ų59.42%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-95.5136.4173.5175.20000109.1A8 Y23 I45 I267A8-V47 HydrophobicContact CB-CB 4.42Å; A8-V47 PolarHBondContact N-O 3.02Å; A8-V47 PolarHBondContact O-N 2.92Å; Y23-V47 HydrophobicContact CE1-CG2 4.39Å; I45-V47 HydrophobicContact CG2-CG2 4.32Å; V47-I267 HydrophobicContact CG1-CB 4.11Å; V47-I267 HydrophobicContact CG1-CG1 4.19Å; V47-I267 HydrophobicContact CG1-CG2 3.47Å; V47-I267 VanDerWaalsContact CG1-CG2 3.47Å; V47-I267 HydrophobicContact CG2-CG2 4.33Å
48K83.4Confident83.3Confident63 Ų6360.3 Ų60.327%0.27433%0.327SS..EExtended strand (participates in β ladder)trans-94.5125.2169.3-175.8-174.5171.2-157.90109.2L7L7-K48 HydrophobicContact CD2-CB 4.19Å; L7-K48 HydrophobicContact CD2-CG 4.23Å
49L85Confident83.7Confident2 Ų261.3 Ų61.31%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-70.6132.4173.1-89.560.6000109.8I6 A8 W240 Y244 I247 M259 L262 A266I6-L49 HydrophobicContact CB-CB 4.12Å; I6-L49 HydrophobicContact CB-CD2 4.14Å; I6-L49 HydrophobicContact CG2-CB 4.45Å; I6-L49 HydrophobicContact CG2-CD1 4.45Å; I6-L49 HydrophobicContact CG2-CD2 3.76Å; I6-L49 HydrophobicContact CG2-CG 4.45Å; I6-L49 PolarHBondContact O-N 2.88Å; A8-L49 HydrophobicContact CB-CD1 3.38Å; L49-W240 HydrophobicContact CB-CZ2 4.43Å; L49-W240 HydrophobicContact CD2-CH2 3.68Å; L49-W240 HydrophobicContact CD2-CZ2 4.35Å; L49-W240 HydrophobicContact CG-CH2 3.97Å; L49-W240 HydrophobicContact CG-CZ2 4.32Å; L49-Y244 HydrophobicContact CB-CE2 4.22Å; L49-I247 HydrophobicContact CD2-CD1 4.13Å; L49-M259 HydrophobicContact CD2-SD 4.31Å; L49-L262 HydrophobicContact CD1-CD1 4.03Å; L49-L262 HydrophobicContact CD1-CD2 3.88Å; L49-L262 HydrophobicContact CD2-CD2 3.88Å; L49-L262 HydrophobicContact CG-CD2 3.91Å; L49-A266 WeakPolarHBondContact CA-O 3.27Å
50M84.3Confident83.7Confident76 Ų7660 Ų6037%0.37432%0.317SS..PPolyproline II helixtrans-73139.5173.6-74.8-58.1-57.100110.7W240 A266 C268M50-W240 WeakPolarHBondContact O-CZ2 3.29Å; M50-W240 PolarHBondContact O-NE1 3.25Å; M50-A266 PolarHBondContact N-O 3.18Å; M50-C268 HydrophobicContact CG-CB 4.16Å; M50-C268 HydrophobicContact SD-CB 3.97Å; M50-C268 PolarHBondContact SD-SG 2.97Å
51L87.9Confident83.4Confident58 Ų5861.4 Ų61.430%0.30433%0.325SS..PPolyproline II helixtrans-60.8139.5171.8-71.8168.8000108.9H3 F53 Y244H3-L51 HydrophobicContact CB-CD1 4.24Å; H3-L51 HydrophobicContact CB-CD2 4.45Å; L51-F53 HydrophobicContact CD1-CE2 4.33Å; L51-F53 HydrophobicContact CD1-CZ 4.33Å; L51-F53 HydrophobicContact CD2-CE1 4.12Å; L51-F53 HydrophobicContact CD2-CZ 3.99Å; L51-F53 PolarHBondContact O-N 3.03Å; L51-F53 VanDerWaalsContact O-N 3.11Å; L51-Y244 HydrophobicContact CD2-CE1 3.93Å; L51-Y244 VanDerWaalsContact CD2-OH 3.31Å; L51-Y244 WeakPolarHBondContact CD2-OH 3.18Å
52P88.1Confident83.5Confident9 Ų966.6 Ų66.66%0.05835%0.347CS..SBendtrans-78.610.9-179.736.4-39000112.5L82 W240 V241 Y244P52-L82 HydrophobicContact CG-CD2 3.96Å; P52-W240 HydrophobicContact CB-CG 4.06Å; P52-V241 HydrophobicContact CB-CB 4.28Å; P52-V241 HydrophobicContact CB-CG2 3.7Å; P52-V241 HydrophobicContact CG-CB 4.49Å; P52-V241 HydrophobicContact CG-CG2 4.18Å; P52-Y244 HydrophobicContact CG-CD1 3.89Å; P52-Y244 HydrophobicContact CG-CD2 4.47Å; P52-Y244 HydrophobicContact CG-CG 3.81Å
53F90.6Very high83.4Confident15 Ų1563.4 Ų63.47%0.06634%0.342CS..  trans-147.5161.7-179.861.2-96.3000110.4H3 L51 I81 L82 Q119 S120H3-F53 AromaticContact CE1-CE2 3.93Å; H3-F53 AromaticContact CE1-CZ 3.76Å; H3-F53 AromaticContact ND1-CZ 3.89Å; L51-F53 HydrophobicContact CD1-CE2 4.33Å; L51-F53 HydrophobicContact CD1-CZ 4.33Å; L51-F53 HydrophobicContact CD2-CE1 4.12Å; L51-F53 HydrophobicContact CD2-CZ 3.99Å; L51-F53 PolarHBondContact O-N 3.03Å; L51-F53 VanDerWaalsContact O-N 3.11Å; F53-I81 HydrophobicContact CB-CG2 3.6Å; F53-I81 HydrophobicContact CD1-CG2 3.3Å; F53-I81 HydrophobicContact CD2-CG2 4.48Å; F53-I81 HydrophobicContact CE1-CG2 4.1Å; F53-I81 HydrophobicContact CG-CG2 3.55Å; F53-L82 HydrophobicContact CD1-CD2 4.18Å; F53-L82 HydrophobicContact CD1-CG 4.33Å; F53-L82 HydrophobicContact CE1-CD1 3.91Å; F53-L82 HydrophobicContact CE1-CD2 3.79Å; F53-L82 HydrophobicContact CE1-CG 3.68Å; F53-L82 HydrophobicContact CZ-CD1 4.46Å; F53-Q119 HydrophobicContact CD2-CB 3.92Å; F53-Q119 HydrophobicContact CD2-CG 3.86Å; F53-Q119 HydrophobicContact CE2-CB 4.28Å; F53-Q119 HydrophobicContact CE2-CG 3.72Å; F53-Q119 HydrophobicContact CG-CB 4.38Å; F53-Q119 HydrophobicContact CZ-CG 4.44Å; F53-S120 CarbonylContact C-O 3.6Å; F53-S120 VanDerWaalsContact CA-O 3.29Å; F53-S120 WeakPolarHBondContact CA-O 3.4Å; F53-S120 WeakPolarHBondContact CB-O 3.45Å
54S91Very high83.6Confident57 Ų5760.6 Ų60.640%0.39934%0.336SS..BIsolated β-bridgetrans-148.8170.5176.957.90000110.9E118 S120 I122S54-E118 CarbonylContact C-O 3.5Å; S54-S120 PolarHBondContact N-O 3.23Å; S54-S120 PolarHBondContact O-N 2.82Å; S54-I122 WeakPolarHBondContact OG-CG1 3.15Å
55N93Very high83.9Confident58 Ų5864.3 Ų64.331%0.3135%0.348SS..  trans-82.5118.4177.9-177.7-13.2000109.9H57 V58 E118N55-H57 PolarHBondContact O-N 2.96Å; N55-H57 WeakPolarHBondContact OD1-CA 3.43Å; N55-H57 VanDerWaalsContact OD1-CB 3.31Å; N55-H57 WeakPolarHBondContact OD1-CB 3.18Å; N55-H57 PolarHBondContact OD1-CD2 3.44Å; N55-H57 PolarHBondContact OD1-N 3.25Å; N55-V58 HydrophobicContact CB-CG2 4.04Å; N55-V58 WeakPolarHBondContact O-CG2 3.25Å; N55-V58 PolarHBondContact O-N 2.94Å; N55-E118 WeakPolarHBondContact CA-O 3.46Å; N55-E118 HydrophobicContact CB-CB 4.47Å; N55-E118 PolarHBondContact N-O 3.14Å
56A94.1Very high83.7Confident0 Ų060.3 Ų60.30%033%0.329CS..THydrogen-bonded Turntrans-60.3-31.317800000112.7V58 A71 I95 V101 W117 I122A56-V58 PolarHBondContact O-N 2.91Å; A56-A71 HydrophobicContact CB-CB 4.24Å; A56-I95 HydrophobicContact CB-CD1 3.93Å; A56-I95 WeakPolarHBondContact O-CG2 3.47Å; A56-V101 HydrophobicContact CB-CG2 3.69Å; A56-W117 HydrophobicContact CB-CB 3.61Å; A56-W117 PolarHBondContact N-O 3.37Å; A56-I122 HydrophobicContact CB-CD1 3.88Å
57H94.6Very high83.7Confident30 Ų3057.8 Ų57.814%0.13931%0.313CS..THydrogen-bonded Turntrans-77.43.2-176.6-52.3-55.6000114.2N55 S59 G99 S114 M115 W117N55-H57 PolarHBondContact O-N 2.96Å; N55-H57 WeakPolarHBondContact OD1-CA 3.43Å; N55-H57 VanDerWaalsContact OD1-CB 3.31Å; N55-H57 WeakPolarHBondContact OD1-CB 3.18Å; N55-H57 PolarHBondContact OD1-CD2 3.44Å; N55-H57 PolarHBondContact OD1-N 3.25Å; H57-S59 PolarHBondContact O-N 2.89Å; H57-S59 VanDerWaalsContact O-N 3.15Å; H57-G99 WeakPolarHBondContact CA-O 3.25Å; H57-G99 PolarHBondContact ND1-O 3.27Å; H57-S114 PolarHBondContact ND1-O 2.66Å; H57-M115 PolarHBondContact CE1-N 3.17Å; H57-M115 VanDerWaalsContact CE1-N 3.34Å; H57-M115 WeakPolarHBondContact NE2-CA 3.32Å; H57-M115 PolarHBondContact NE2-N 2.93Å; H57-W117 AromaticContact CE1-CD1 3.85Å; H57-W117 WeakPolarHBondContact NE2-CB 3.46Å; H57-W117 AromaticContact NE2-CD1 3.79Å; H57-W117 AromaticContact NE2-CG 3.99Å; H57-W117 PolarHBondContact NE2-N 3.01Å
58V92Very high84.3Confident81 Ų8157.6 Ų57.649%0.49131%0.312SS..  trans-68.3113.5168.8178.40000108.5N55 A56 R69N55-V58 HydrophobicContact CB-CG2 4.04Å; N55-V58 WeakPolarHBondContact O-CG2 3.25Å; N55-V58 PolarHBondContact O-N 2.94Å; A56-V58 PolarHBondContact O-N 2.91Å; V58-R69 PolarHBondContact O-NH1 3.42Å; V58-R69 VanDerWaalsContact O-NH1 3.1Å; V58-R69 PolarHBondContact O-NH2 3.43Å
59S90.5Very high84.8Confident66 Ų6655.2 Ų55.246%0.46230%0.302SS..  trans-66.4136.3173.4-42.50000110.1H57 S97 E98H57-S59 PolarHBondContact O-N 2.89Å; H57-S59 VanDerWaalsContact O-N 3.15Å; S59-S97 CarbonylContact C-O 3.54Å; S59-S97 WeakPolarHBondContact CA-O 3.18Å; S59-E98 WeakPolarHBondContact CB-O 3.48Å; S59-E98 PolarHBondContact OG-O 3.36Å
60I85.2Confident85.4Confident49 Ų4955.1 Ų55.125%0.25130%0.301SS..  trans-128.689.3176.1-47-179.2000107.7F62 I67 S97I60-F62 HydrophobicContact CG2-CD2 3.7Å; I60-F62 HydrophobicContact CG2-CE2 4.16Å; I60-F62 PolarHBondContact O-N 3.21Å; I60-I67 HydrophobicContact CB-CD1 3.99Å; I60-I67 HydrophobicContact CB-CG2 4.42Å; I60-I67 HydrophobicContact CD1-CG2 4.37Å; I60-I67 HydrophobicContact CG2-CD1 3.28Å; I60-I67 HydrophobicContact CG2-CG1 4.3Å; I60-S97 PolarHBondContact N-O 3.19Å
61L74.1Confident86Confident119 Ų11951.5 Ų51.562%0.62328%0.283SS*.  trans-93.664-171.7-61173.5000111.3
62F79.5Confident86.4Confident132 Ų13249.1 Ų49.158%0.57927%0.27SS*.  trans-117.788.7170.8-62.3-69.7000109.7I60 S64 Y65 I67 S136I60-F62 HydrophobicContact CG2-CD2 3.7Å; I60-F62 HydrophobicContact CG2-CE2 4.16Å; I60-F62 PolarHBondContact O-N 3.21Å; F62-S64 PolarHBondContact O-N 2.83Å; F62-Y65 PolarHBondContact O-N 3.42Å; F62-I67 HydrophobicContact CB-CD1 4.06Å; F62-I67 HydrophobicContact CD2-CD1 4.41Å; F62-S136 PolarHBondContact O-OG 3.43Å
63P68.8Low86.6Confident88 Ų8849.9 Ų49.957%0.57127%0.274SS*.THydrogen-bonded Turntrans-52.3-35.1-169.8-28.734.7000114.9T135 S136P63-T135 WeakPolarHBondContact O-CB 3.37Å; P63-S136 VanDerWaalsContact CA-OG 3.24Å; P63-S136 WeakPolarHBondContact CA-OG 3.3Å; P63-S136 PolarHBondContact O-OG 2.87Å
64S73.1Confident86.7Confident110 Ų11049.7 Ų49.777%0.76927%0.274SS*.THydrogen-bonded Turntrans-94.2-7.4-177.3-490000113.7F62F62-S64 PolarHBondContact O-N 2.83Å
65Y76Confident86.4Confident147 Ų14749.8 Ų49.858%0.57627%0.274SS*.SBendtrans-83.8139.5178.7-155.6-103.9000109.2F62 I67 S136F62-Y65 PolarHBondContact O-N 3.42Å; Y65-I67 VanDerWaalsContact C-N 3.3Å; Y65-I67 HydrophobicContact CD1-CD1 3.95Å; Y65-I67 HydrophobicContact CD1-CG1 3.6Å; Y65-I67 HydrophobicContact CG-CD1 4.4Å; Y65-I67 HydrophobicContact CG-CG1 4.35Å; Y65-I67 PolarHBondContact O-N 3.03Å; Y65-S136 PolarHBondContact O-N 2.94Å; Y65-S136 VanDerWaalsContact O-N 3.15Å
66P69.6Low85.6Confident36 Ų3652.1 Ų52.123%0.23429%0.286CS..  trans-74.383.8-176.930.5-35.2000110.5S126 L134P66-S126 WeakPolarHBondContact O-CB 3.4Å; P66-S126 PolarHBondContact O-OG 2.99Å; P66-L134 CarbonylContact C-O 3.41Å; P66-L134 WeakPolarHBondContact CA-O 3.42Å
67I77.4Confident84.1Confident13 Ų1358 Ų587%0.06733%0.327CS..  trans-116.394-177.8-54.1158.1000107.7I60 F62 Y65 R69I60-I67 HydrophobicContact CB-CD1 3.99Å; I60-I67 HydrophobicContact CB-CG2 4.42Å; I60-I67 HydrophobicContact CD1-CG2 4.37Å; I60-I67 HydrophobicContact CG2-CD1 3.28Å; I60-I67 HydrophobicContact CG2-CG1 4.3Å; F62-I67 HydrophobicContact CB-CD1 4.06Å; F62-I67 HydrophobicContact CD2-CD1 4.41Å; Y65-I67 VanDerWaalsContact C-N 3.3Å; Y65-I67 HydrophobicContact CD1-CD1 3.95Å; Y65-I67 HydrophobicContact CD1-CG1 3.6Å; Y65-I67 HydrophobicContact CG-CD1 4.4Å; Y65-I67 HydrophobicContact CG-CG1 4.35Å; Y65-I67 PolarHBondContact O-N 3.03Å; I67-R69 HydrophobicContact CG2-CG 3.8Å
68A91.4Very high82.7Confident0 Ų061.6 Ų61.60%036%0.356CS..  trans-119.2121.1164.300000106.9S124 V125 L134 W139A68-S124 CarbonylContact O-C 3.33Å; A68-S124 WeakPolarHBondContact O-CA 3.34Å; A68-V125 HydrophobicContact CB-CB 3.84Å; A68-V125 HydrophobicContact CB-CG2 4.36Å; A68-V125 PolarHBondContact O-N 3.21Å; A68-L134 HydrophobicContact CB-CD2 3.28Å; A68-L134 HydrophobicContact CB-CG 3.69Å; A68-W139 HydrophobicContact CB-CB 4.19Å; A68-W139 HydrophobicContact CB-CD2 3.36Å; A68-W139 HydrophobicContact CB-CE3 3.47Å; A68-W139 VanDerWaalsContact CB-CE3 3.47Å; A68-W139 HydrophobicContact CB-CG 3.71Å; A68-W139 HydrophobicContact CB-CH2 4.32Å; A68-W139 HydrophobicContact CB-CZ2 4.23Å; A68-W139 HydrophobicContact CB-CZ3 3.97Å
69R95.3Very high81.5Confident14 Ų1461 Ų615%0.05335%0.35CS..EExtended strand (participates in β ladder)trans-126.1141.2-171-62.4-179.5-62.9158.7-1.5110.6V58 I67 I95 D96 I122 I123V58-R69 PolarHBondContact O-NH1 3.42Å; V58-R69 VanDerWaalsContact O-NH1 3.1Å; V58-R69 PolarHBondContact O-NH2 3.43Å; I67-R69 HydrophobicContact CG2-CG 3.8Å; R69-I95 HydrophobicContact CB-CB 4.06Å; R69-I95 HydrophobicContact CB-CD1 3.74Å; R69-I95 HydrophobicContact CB-CG1 4.17Å; R69-I95 PolarHBondContact O-N 3.16Å; R69-D96 PolarHBondContact NH2-O 3.11Å; R69-I122 HydrophobicContact CB-CG2 4.17Å; R69-I122 HydrophobicContact CG-CG2 4.26Å; R69-I123 WeakPolarHBondContact CA-O 3.39Å
70I97.2Very high81.1Confident0 Ų059.2 Ų59.20%034%0.338CS..EExtended strand (participates in β ladder)trans-121.7147.8167.764.1177.9000109F72 G93 V94 I122 I123 V125 W139 V212 I216 I230I70-F72 HydrophobicContact CD1-CE2 3.72Å; I70-F72 HydrophobicContact CD1-CZ 4.14Å; I70-F72 HydrophobicContact CG1-CE2 3.98Å; I70-G93 CarbonylContact C-O 3.59Å; I70-G93 VanDerWaalsContact CA-O 3.3Å; I70-G93 WeakPolarHBondContact CA-O 3.38Å; I70-V94 HydrophobicContact CG2-CG1 4.02Å; I70-I122 WeakPolarHBondContact O-CA 3.48Å; I70-I123 HydrophobicContact CD1-CB 4.22Å; I70-I123 HydrophobicContact CG1-CB 3.75Å; I70-I123 HydrophobicContact CG1-CG2 4.45Å; I70-I123 PolarHBondContact N-O 2.87Å; I70-I123 PolarHBondContact O-N 3.26Å; I70-V125 HydrophobicContact CG1-CG2 4.38Å; I70-V125 HydrophobicContact CG2-CG2 3.76Å; I70-W139 HydrophobicContact CG2-CH2 4.45Å; I70-W139 HydrophobicContact CG2-CZ2 4.34Å; I70-V212 HydrophobicContact CB-CG1 4.24Å; I70-V212 HydrophobicContact CD1-CG1 4.12Å; I70-V212 HydrophobicContact CG2-CG1 3.75Å; I70-I216 HydrophobicContact CD1-CD1 4.33Å; I70-I216 HydrophobicContact CG2-CD1 4.18Å; I70-I230 HydrophobicContact CD1-CG2 4.1Å
71A96.7Very high81.1Confident0 Ų057 Ų570%033%0.326CS..EExtended strand (participates in β ladder)trans-118.8143.5-179.200000110.7A56 C92 G93 I95 W117 I121 I122A56-A71 HydrophobicContact CB-CB 4.24Å; A71-C92 WeakPolarHBondContact O-CA 3.21Å; A71-C92 VanDerWaalsContact O-CB 3.24Å; A71-C92 WeakPolarHBondContact O-CB 3.45Å; A71-G93 PolarHBondContact N-O 3.28Å; A71-G93 PolarHBondContact O-N 3.45Å; A71-I95 HydrophobicContact CB-CD1 3.72Å; A71-I95 HydrophobicContact CB-CG1 3.96Å; A71-W117 HydrophobicContact CB-CE3 3.65Å; A71-W117 HydrophobicContact CB-CZ3 3.83Å; A71-I121 CarbonylContact C-O 3.41Å; A71-I121 WeakPolarHBondContact CA-O 3.41Å; A71-I122 HydrophobicContact CB-CD1 3.7Å
72F95.7Very high81.6Confident7 Ų752.6 Ų52.63%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-123.9134.8168.1-63.8-98000110I70 H91 C92 S120 I121 I123 L209 I230 L234I70-F72 HydrophobicContact CD1-CE2 3.72Å; I70-F72 HydrophobicContact CD1-CZ 4.14Å; I70-F72 HydrophobicContact CG1-CE2 3.98Å; F72-H91 WeakPolarHBondContact CA-O 3.39Å; F72-C92 HydrophobicContact CD1-CB 3.38Å; F72-C92 HydrophobicContact CE1-CB 3.41Å; F72-C92 VanDerWaalsContact CE1-CB 3.41Å; F72-C92 HydrophobicContact CG-CB 4Å; F72-C92 HydrophobicContact CZ-CB 4.06Å; F72-S120 CarbonylContact O-C 3.53Å; F72-S120 VanDerWaalsContact O-CA 3.3Å; F72-S120 WeakPolarHBondContact O-CA 3.34Å; F72-I121 HydrophobicContact CB-CB 4.31Å; F72-I121 PolarHBondContact N-O 3.42Å; F72-I121 PolarHBondContact O-N 3.23Å; F72-I123 HydrophobicContact CD2-CD1 4.33Å; F72-I123 HydrophobicContact CE2-CD1 3.91Å; F72-L209 HydrophobicContact CE1-CD1 4.38Å; F72-I230 HydrophobicContact CZ-CG2 3.74Å; F72-L234 HydrophobicContact CB-CD1 4.11Å; F72-L234 HydrophobicContact CD1-CD1 4.2Å; F72-L234 HydrophobicContact CD1-CD2 3.68Å; F72-L234 HydrophobicContact CD2-CD1 3.84Å; F72-L234 HydrophobicContact CE1-CD2 3.77Å; F72-L234 HydrophobicContact CE2-CD1 4.33Å; F72-L234 HydrophobicContact CG-CD1 3.78Å; F72-L234 HydrophobicContact CG-CD2 4.14Å; F72-L234 HydrophobicContact CZ-CD2 4.28Å
73I93.8Very high81.8Confident25 Ų2550.8 Ų50.813%0.12830%0.3CS..EExtended strand (participates in β ladder)trans-128163.3173.359.7172000109.8L90 H91 W117 S120I73-L90 CarbonylContact O-C 3.56Å; I73-L90 VanDerWaalsContact O-CA 3.27Å; I73-L90 WeakPolarHBondContact O-CA 3.38Å; I73-L90 WeakPolarHBondContact O-CD2 3.41Å; I73-H91 HydrophobicContact CG1-CB 4.02Å; I73-H91 PolarHBondContact N-O 3.37Å; I73-H91 PolarHBondContact O-N 2.98Å; I73-W117 HydrophobicContact CB-CE3 4.25Å; I73-W117 HydrophobicContact CB-CZ3 4.29Å; I73-W117 HydrophobicContact CD1-CD2 3.93Å; I73-W117 HydrophobicContact CD1-CE3 3.99Å; I73-W117 HydrophobicContact CD1-CH2 3.92Å; I73-W117 HydrophobicContact CD1-CZ2 3.86Å; I73-W117 HydrophobicContact CD1-CZ3 3.98Å; I73-W117 HydrophobicContact CG1-CD2 4.42Å; I73-W117 HydrophobicContact CG1-CE3 3.96Å; I73-W117 HydrophobicContact CG1-CH2 3.9Å; I73-W117 HydrophobicContact CG1-CZ2 4.37Å; I73-W117 HydrophobicContact CG1-CZ3 3.68Å; I73-W117 HydrophobicContact CG2-CD2 4Å; I73-W117 HydrophobicContact CG2-CE3 3.39Å; I73-W117 HydrophobicContact CG2-CZ3 3.87Å; I73-S120 WeakPolarHBondContact CG2-OG 3.47Å
74L91.6Very high82.5Confident12 Ų1247.2 Ų47.26%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-66.5134.1164.1-71.2170000109.2D76 N79 S80 I81 C84 S88 L90L74-D76 PolarHBondContact O-N 3.16Å; L74-N79 HydrophobicContact CD1-CB 3.62Å; L74-S80 WeakPolarHBondContact CD1-O 3.31Å; L74-I81 HydrophobicContact CG-CD1 4.07Å; L74-C84 HydrophobicContact CD2-CB 4.2Å; L74-S88 VanDerWaalsContact CD2-CB 3.46Å; L74-L90 HydrophobicContact CD2-CD2 3.85Å; L74-L90 HydrophobicContact CG-CD2 4.39Å
75S85.3Confident82.8Confident59 Ų5948.1 Ų48.141%0.41327%0.269SS..SBendtrans-61-29.6178-55.30000112S77 N89 L90 H91S75-S77 PolarHBondContact O-N 3.09Å; S75-N89 PolarHBondContact N-O 3.46Å; S75-N89 PolarHBondContact OG-O 3.5Å; S75-L90 VanDerWaalsContact OG-C 3.26Å; S75-H91 PolarHBondContact OG-N 2.98Å
76D76.7Confident82.7Confident106 Ų10647.3 Ų47.357%0.56729%0.285SS*.SBendtrans-81.894.1173.2-64.5-23.7000109.6L74 S78 N79L74-D76 PolarHBondContact O-N 3.16Å; D76-S78 PolarHBondContact O-N 3.34Å; D76-N79 PolarHBondContact O-N 3.43Å
77S62Low83.1Confident123 Ų12351.3 Ų51.386%0.8630%0.304SS*.THydrogen-bonded Turntrans-53-17.2-174.958.80000116.3S75 N79S75-S77 PolarHBondContact O-N 3.09Å; S77-N79 VanDerWaalsContact C-N 3.32Å
78S64Low83.4Confident106 Ų10652.4 Ų52.474%0.74131%0.313SS*.THydrogen-bonded Turntrans-80.2-12.2176.557.70000113.7D76D76-S78 PolarHBondContact O-N 3.34Å
79N68.4Low83.2Confident69 Ų6958.3 Ų58.337%0.36935%0.345SS..SBendtrans-101.2127.4-171.8-72.8-37.9000112.3L74 D76 S77L74-N79 HydrophobicContact CD1-CB 3.62Å; D76-N79 PolarHBondContact O-N 3.43Å; S77-N79 VanDerWaalsContact C-N 3.32Å
80S82.3Confident83.1Confident29 Ų2959.9 Ų59.920%0.20335%0.354CS..  trans-58.9141.6165.3176.10000109.7L74 L82 N83 Q119L74-S80 WeakPolarHBondContact CD1-O 3.31Å; S80-L82 PolarHBondContact O-N 2.91Å; S80-L82 PolarHBondContact OG-N 3.38Å; S80-N83 WeakPolarHBondContact O-CA 3.46Å; S80-N83 VanDerWaalsContact O-CB 3.27Å; S80-N83 WeakPolarHBondContact O-CB 3.3Å; S80-N83 PolarHBondContact O-N 3.03Å; S80-Q119 VanDerWaalsContact CA-OE1 3.23Å; S80-Q119 PolarHBondContact OG-OE1 3.4Å
81I84.8Confident82.9Confident1 Ų161.1 Ų61.11%0.00536%0.36CS..G310 helixtrans-57.1-21.3172.6-164.764.9000112.8F53 L74 N83 C84 L90 Q119 I121 V241F53-I81 HydrophobicContact CB-CG2 3.6Å; F53-I81 HydrophobicContact CD1-CG2 3.3Å; F53-I81 HydrophobicContact CD2-CG2 4.48Å; F53-I81 HydrophobicContact CE1-CG2 4.1Å; F53-I81 HydrophobicContact CG-CG2 3.55Å; L74-I81 HydrophobicContact CG-CD1 4.07Å; I81-N83 PolarHBondContact O-N 3.35Å; I81-C84 HydrophobicContact CD1-CB 4.43Å; I81-C84 WeakPolarHBondContact O-CB 3.39Å; I81-C84 PolarHBondContact O-N 3.41Å; I81-L90 HydrophobicContact CD1-CD2 4.25Å; I81-Q119 HydrophobicContact CG2-CB 4.25Å; I81-I121 HydrophobicContact CD1-CD1 4.06Å; I81-I121 HydrophobicContact CD1-CG1 4.26Å; I81-I121 HydrophobicContact CG1-CD1 4.09Å; I81-I121 HydrophobicContact CG1-CG1 3.95Å; I81-V241 HydrophobicContact CG1-CG1 4.47Å; I81-V241 WeakPolarHBondContact O-CG1 3.32Å
82L84.3Confident82.9Confident28 Ų2861.2 Ų61.215%0.14736%0.36CS..G310 helixtrans-66.1-18.3171.6-63.5179.9000113.4P52 F53 S80 C84 Y244 T245 I248P52-L82 HydrophobicContact CG-CD2 3.96Å; F53-L82 HydrophobicContact CD1-CD2 4.18Å; F53-L82 HydrophobicContact CD1-CG 4.33Å; F53-L82 HydrophobicContact CE1-CD1 3.91Å; F53-L82 HydrophobicContact CE1-CD2 3.79Å; F53-L82 HydrophobicContact CE1-CG 3.68Å; F53-L82 HydrophobicContact CZ-CD1 4.46Å; S80-L82 PolarHBondContact O-N 2.91Å; S80-L82 PolarHBondContact OG-N 3.38Å; L82-C84 VanDerWaalsContact C-N 3.29Å; L82-Y244 HydrophobicContact CD2-CD1 3.69Å; L82-Y244 HydrophobicContact CD2-CE1 4.21Å; L82-T245 WeakPolarHBondContact CA-OG1 3.33Å; L82-T245 WeakPolarHBondContact O-CG2 3.4Å; L82-T245 PolarHBondContact O-OG1 3.31Å; L82-I248 HydrophobicContact CD1-CD1 4.21Å
83N83.8Confident82.9Confident94 Ų9460.9 Ų60.950%0.50336%0.359SS..G310 helixtrans-87.84.1172.7-62.1-20000112.6S80 I81 Q85S80-N83 WeakPolarHBondContact O-CA 3.46Å; S80-N83 VanDerWaalsContact O-CB 3.27Å; S80-N83 WeakPolarHBondContact O-CB 3.3Å; S80-N83 PolarHBondContact O-N 3.03Å; I81-N83 PolarHBondContact O-N 3.35Å; N83-Q85 PolarHBondContact O-N 2.98Å
84C82.2Confident83.1Confident13 Ų1359.7 Ų59.79%0.08835%0.353CS..  trans-58.1130.2177.9-169.20000110.6L74 I81 L82 V241L74-C84 HydrophobicContact CD2-CB 4.2Å; I81-C84 HydrophobicContact CD1-CB 4.43Å; I81-C84 WeakPolarHBondContact O-CB 3.39Å; I81-C84 PolarHBondContact O-N 3.41Å; L82-C84 VanDerWaalsContact C-N 3.29Å; C84-V241 HydrophobicContact CB-CG1 4.46Å
85Q79.4Confident83.3Confident128 Ų12859.1 Ų59.160%0.59835%0.35SS*.  trans-113.2167.9173.5-60.6-168.2-30.700109.3N83 N87 S88N83-Q85 PolarHBondContact O-N 2.98Å; Q85-N87 WeakPolarHBondContact CB-OD1 3.23Å; Q85-N87 PolarHBondContact O-N 3.01Å; Q85-N87 VanDerWaalsContact O-N 3.14Å; Q85-S88 PolarHBondContact N-OG 2.83Å; Q85-S88 WeakPolarHBondContact O-CB 3.38Å; Q85-S88 PolarHBondContact O-N 3.25Å; Q85-S88 PolarHBondContact O-OG 3.36Å
86S74.5Confident83.7Confident131 Ų13156.5 Ų56.592%0.91633%0.331SS*.THydrogen-bonded Turntrans-61.3-21.7-179.1510000114.1
87N78.5Confident84.4Confident119 Ų11952 Ų5264%0.63631%0.308SS*.THydrogen-bonded Turntrans-10810.5178.266.8-18.1000113.2Q85Q85-N87 WeakPolarHBondContact CB-OD1 3.23Å; Q85-N87 PolarHBondContact O-N 3.01Å; Q85-N87 VanDerWaalsContact O-N 3.14Å
88S83.8Confident85.8Confident36 Ų3650.9 Ų50.925%0.25229%0.289SS..  trans-67.9135.7179.2-70.30000111.2L74 Q85L74-S88 VanDerWaalsContact CD2-CB 3.46Å; Q85-S88 PolarHBondContact N-OG 2.83Å; Q85-S88 WeakPolarHBondContact O-CB 3.38Å; Q85-S88 PolarHBondContact O-N 3.25Å; Q85-S88 PolarHBondContact O-OG 3.36Å
89N88Confident87.2Confident125 Ų12546 Ų4667%0.66826%0.255SS*.  trans-78133.6172.2-68.4-32.1000109.9S75S75-N89 PolarHBondContact N-O 3.46Å; S75-N89 PolarHBondContact OG-O 3.5Å
90L92.1Very high88.4Confident46 Ų4646.1 Ų46.124%0.24125%0.252CS..EExtended strand (participates in β ladder)trans-112.4141.2178.5-63.1174000110I73 L74 S75 I81 L234 L238I73-L90 CarbonylContact O-C 3.56Å; I73-L90 VanDerWaalsContact O-CA 3.27Å; I73-L90 WeakPolarHBondContact O-CA 3.38Å; I73-L90 WeakPolarHBondContact O-CD2 3.41Å; L74-L90 HydrophobicContact CD2-CD2 3.85Å; L74-L90 HydrophobicContact CG-CD2 4.39Å; S75-L90 VanDerWaalsContact OG-C 3.26Å; I81-L90 HydrophobicContact CD1-CD2 4.25Å; L90-L234 HydrophobicContact CD1-CD2 3.71Å; L90-L238 HydrophobicContact CD1-CD1 4.24Å; L90-L238 HydrophobicContact CD1-CD2 4.5Å
91H93.6Very high89Confident27 Ų2744.7 Ų44.713%0.12524%0.243CC..EExtended strand (participates in β ladder)trans-109.6150.1168.7-175.954.7000109F72 I73 S75 H103 F104 W117 C208F72-H91 WeakPolarHBondContact CA-O 3.39Å; I73-H91 HydrophobicContact CG1-CB 4.02Å; I73-H91 PolarHBondContact N-O 3.37Å; I73-H91 PolarHBondContact O-N 2.98Å; S75-H91 PolarHBondContact OG-N 2.98Å; H91-H103 AromaticContact CE1-ND1 3.53Å; H91-H103 WeakPolarHBondContact NE2-CB 3.3Å; H91-H103 AromaticContact NE2-CE1 3.77Å; H91-H103 AromaticContact NE2-CG 3.29Å; H91-H103 VanDerWaalsContact NE2-CG 3.29Å; H91-H103 AromaticContact NE2-ND1 2.95Å; H91-H103 PolarHBondContact NE2-ND1 3Å; H91-F104 PolarHBondContact CE1-O 2.89Å; H91-F104 VanDerWaalsContact CE1-O 3.29Å; H91-W117 AromaticContact CD2-CH2 3.41Å; H91-W117 VanDerWaalsContact CD2-CH2 3.41Å; H91-W117 WeakPolarHBondContact CD2-CH2 3.46Å; H91-W117 AromaticContact CD2-CZ2 3.51Å; H91-W117 AromaticContact NE2-CH2 3.86Å; H91-W117 AromaticContact NE2-CZ2 3.79Å; H91-C208 WeakPolarHBondContact ND1-CB 3.48Å
92C96Very high89.4Confident2 Ų245.1 Ų45.11%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-144.5161.6-175.868.90000113.9A71 F72 H103 C208 V212A71-C92 WeakPolarHBondContact O-CA 3.21Å; A71-C92 VanDerWaalsContact O-CB 3.24Å; A71-C92 WeakPolarHBondContact O-CB 3.45Å; F72-C92 HydrophobicContact CD1-CB 3.38Å; F72-C92 HydrophobicContact CE1-CB 3.41Å; F72-C92 VanDerWaalsContact CE1-CB 3.41Å; F72-C92 HydrophobicContact CG-CB 4Å; F72-C92 HydrophobicContact CZ-CB 4.06Å; C92-H103 WeakPolarHBondContact O-CB 3.46Å; C92-C208 VanDerWaalsContact SG-C 3.57Å; C92-C208 PolarHBondContact SG-O 3.37Å; C92-V212 HydrophobicContact CB-CG2 4.43Å
93G96.4Very high89.7Confident0 Ų044.4 Ų44.40%024%0.24CC..EExtended strand (participates in β ladder)trans-160.7170.2-178.700000112.4I70 A71 Y102I70-G93 CarbonylContact C-O 3.59Å; I70-G93 VanDerWaalsContact CA-O 3.3Å; I70-G93 WeakPolarHBondContact CA-O 3.38Å; A71-G93 PolarHBondContact N-O 3.28Å; A71-G93 PolarHBondContact O-N 3.45Å; G93-Y102 CarbonylContact C-O 3.51Å; G93-Y102 WeakPolarHBondContact CA-O 3.21Å
94V97.2Very high89.9Confident0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-100.3144.5174.2-56.70000109.6I70 V101 Y102 W139 I143 F211 V212 I215I70-V94 HydrophobicContact CG2-CG1 4.02Å; V94-V101 WeakPolarHBondContact O-CA 3.47Å; V94-Y102 PolarHBondContact N-O 3.46Å; V94-Y102 PolarHBondContact O-N 2.9Å; V94-W139 HydrophobicContact CB-CH2 4.5Å; V94-W139 HydrophobicContact CB-CZ2 3.84Å; V94-W139 HydrophobicContact CG1-CH2 4.28Å; V94-W139 HydrophobicContact CG1-CZ2 4.09Å; V94-I143 HydrophobicContact CB-CD1 4.25Å; V94-I143 HydrophobicContact CG2-CD1 3.83Å; V94-I143 HydrophobicContact CG2-CG1 3.89Å; V94-I143 HydrophobicContact CG2-CG2 4.39Å; V94-F211 HydrophobicContact CG2-CE1 4.04Å; V94-F211 HydrophobicContact CG2-CZ 4.29Å; V94-V212 HydrophobicContact CG1-CB 4.42Å; V94-V212 HydrophobicContact CG1-CG1 4.26Å; V94-V212 HydrophobicContact CG1-CG2 4.03Å; V94-I215 HydrophobicContact CB-CG2 4.44Å; V94-I215 HydrophobicContact CG1-CB 4.01Å; V94-I215 HydrophobicContact CG1-CG1 4.2Å; V94-I215 HydrophobicContact CG1-CG2 3.89Å; V94-I215 HydrophobicContact CG2-CG1 4.4Å; V94-I215 HydrophobicContact CG2-CG2 4.39Å
95I95.9Very high89.7Confident0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-116.8127.7-173.8-36.6168.2000108.9A56 R69 A71 K100 V101 I122 W139A56-I95 HydrophobicContact CB-CD1 3.93Å; A56-I95 WeakPolarHBondContact O-CG2 3.47Å; R69-I95 HydrophobicContact CB-CB 4.06Å; R69-I95 HydrophobicContact CB-CD1 3.74Å; R69-I95 HydrophobicContact CB-CG1 4.17Å; R69-I95 PolarHBondContact O-N 3.16Å; A71-I95 HydrophobicContact CB-CD1 3.72Å; A71-I95 HydrophobicContact CB-CG1 3.96Å; I95-K100 WeakPolarHBondContact CA-O 3.29Å; I95-V101 HydrophobicContact CG1-CG2 4.34Å; I95-V101 HydrophobicContact CG2-CG2 4.29Å; I95-I122 HydrophobicContact CD1-CD1 3.54Å; I95-I122 HydrophobicContact CD1-CG2 4.24Å; I95-W139 PolarHBondContact O-NE1 2.87Å
96D93.5Very high89.3Confident3 Ų340 Ų402%0.01622%0.216CC..  trans-77.2-179.7172.574.79.3000112.2R69 E98 G99 K100 Y102 N140 I143R69-D96 PolarHBondContact NH2-O 3.11Å; D96-E98 VanDerWaalsContact C-N 3.25Å; D96-E98 PolarHBondContact O-N 2.86Å; D96-E98 WeakPolarHBondContact OD1-CA 3.5Å; D96-E98 WeakPolarHBondContact OD1-CB 3.42Å; D96-E98 PolarHBondContact OD1-N 3.42Å; D96-G99 PolarHBondContact O-N 3Å; D96-G99 PolarHBondContact OD1-N 2.99Å; D96-K100 PolarHBondContact N-O 3.35Å; D96-K100 PolarHBondContact OD1-N 2.96Å; D96-K100 WeakPolarHBondContact OD2-CB 3.07Å; D96-Y102 HydrophobicContact CB-CE2 4Å; D96-N140 WeakPolarHBondContact CA-OD1 3.34Å; D96-N140 WeakPolarHBondContact CB-OD1 3.46Å; D96-I143 HydrophobicContact CB-CD1 4.41Å
97S92.3Very high89Confident11 Ų1140.6 Ų40.68%0.07720%0.204CC..THydrogen-bonded Turntrans-68.8-21.7177.167.50000114.1S59 I60 G99 N140S59-S97 CarbonylContact C-O 3.54Å; S59-S97 WeakPolarHBondContact CA-O 3.18Å; I60-S97 PolarHBondContact N-O 3.19Å; S97-G99 VanDerWaalsContact C-N 3.33Å; S97-N140 PolarHBondContact N-OD1 2.76Å; S97-N140 PolarHBondContact OG-ND2 3.02Å
98E91.9Very high88.6Confident101 Ų10142.6 Ų42.647%0.47220%0.204SC..THydrogen-bonded Turntrans-82.7-15.6178.1-63.7-175.8175.300111.8S59 D96 K100S59-E98 WeakPolarHBondContact CB-O 3.48Å; S59-E98 PolarHBondContact OG-O 3.36Å; D96-E98 VanDerWaalsContact C-N 3.25Å; D96-E98 PolarHBondContact O-N 2.86Å; D96-E98 WeakPolarHBondContact OD1-CA 3.5Å; D96-E98 WeakPolarHBondContact OD1-CB 3.42Å; D96-E98 PolarHBondContact OD1-N 3.42Å; E98-K100 WeakPolarHBondContact OE2-CE 3.42Å; E98-K100 IonicContact OE2-NZ 3.55Å; E98-K100 PolarHBondContact OE2-NZ 3.11Å
99G93.4Very high88.1Confident3 Ų341.9 Ų41.93%0.03120%0.202CC..  trans94.312.2-176.600000113.3H57 D96 S97H57-G99 WeakPolarHBondContact CA-O 3.25Å; H57-G99 PolarHBondContact ND1-O 3.27Å; D96-G99 PolarHBondContact O-N 3Å; D96-G99 PolarHBondContact OD1-N 2.99Å; S97-G99 VanDerWaalsContact C-N 3.33Å
100K93Very high87.8Confident71 Ų7138.2 Ų38.231%0.30918%0.182SC..  trans-75.5133.7171.2-64.3168.9178.4150.20109.2I95 D96 E98 Y102 I112I95-K100 WeakPolarHBondContact CA-O 3.29Å; D96-K100 PolarHBondContact N-O 3.35Å; D96-K100 PolarHBondContact OD1-N 2.96Å; D96-K100 WeakPolarHBondContact OD2-CB 3.07Å; E98-K100 WeakPolarHBondContact OE2-CE 3.42Å; E98-K100 IonicContact OE2-NZ 3.55Å; E98-K100 PolarHBondContact OE2-NZ 3.11Å; K100-Y102 HydrophobicContact CB-CE2 3.91Å; K100-I112 HydrophobicContact CB-CG2 3.91Å; K100-I112 HydrophobicContact CD-CG2 4.44Å; K100-I112 HydrophobicContact CG-CG2 4.45Å
101V94.8Very high87.4Confident0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-102.3115.7179.5-174.70000108.9A56 V94 I95 I112 D113 W117A56-V101 HydrophobicContact CB-CG2 3.69Å; V94-V101 WeakPolarHBondContact O-CA 3.47Å; I95-V101 HydrophobicContact CG1-CG2 4.34Å; I95-V101 HydrophobicContact CG2-CG2 4.29Å; V101-I112 CarbonylContact O-C 3.52Å; V101-I112 WeakPolarHBondContact O-CA 3.46Å; V101-D113 HydrophobicContact CB-CB 4.49Å; V101-D113 PolarHBondContact N-O 3.33Å; V101-D113 PolarHBondContact O-N 2.86Å; V101-W117 HydrophobicContact CB-CD2 4.15Å; V101-W117 HydrophobicContact CB-CG 4.21Å; V101-W117 HydrophobicContact CG1-CD2 3.73Å; V101-W117 HydrophobicContact CG1-CE3 3.95Å; V101-W117 HydrophobicContact CG1-CG 4.32Å; V101-W117 HydrophobicContact CG1-CH2 3.99Å; V101-W117 HydrophobicContact CG1-CZ2 3.76Å; V101-W117 HydrophobicContact CG1-CZ3 4.08Å; V101-W117 HydrophobicContact CG2-CB 4.09Å; V101-W117 HydrophobicContact CG2-CD2 4.08Å; V101-W117 HydrophobicContact CG2-CG 3.84Å
102Y93Very high87.1Confident9 Ų940.7 Ų40.74%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-94.5126.9174-61-103000108.1G93 V94 D96 K100 S111 I112 I143 H144 I147 F211G93-Y102 CarbonylContact C-O 3.51Å; G93-Y102 WeakPolarHBondContact CA-O 3.21Å; V94-Y102 PolarHBondContact N-O 3.46Å; V94-Y102 PolarHBondContact O-N 2.9Å; D96-Y102 HydrophobicContact CB-CE2 4Å; K100-Y102 HydrophobicContact CB-CE2 3.91Å; Y102-S111 WeakPolarHBondContact CA-O 3.4Å; Y102-I112 HydrophobicContact CD1-CB 4.41Å; Y102-I112 HydrophobicContact CD1-CD1 3.85Å; Y102-I112 HydrophobicContact CD1-CG1 3.55Å; Y102-I112 HydrophobicContact CD1-CG2 4.24Å; Y102-I112 HydrophobicContact CE1-CB 4.49Å; Y102-I112 HydrophobicContact CE1-CD1 3.36Å; Y102-I112 HydrophobicContact CE1-CG1 3.62Å; Y102-I112 HydrophobicContact CE1-CG2 4.1Å; Y102-I112 HydrophobicContact CE2-CG2 4.39Å; Y102-I112 HydrophobicContact CG-CG1 4.44Å; Y102-I143 HydrophobicContact CD1-CG2 4.06Å; Y102-I143 HydrophobicContact CD2-CG2 3.85Å; Y102-I143 HydrophobicContact CE1-CG2 4.13Å; Y102-I143 HydrophobicContact CE2-CG2 3.99Å; Y102-I143 HydrophobicContact CG-CG2 3.89Å; Y102-H144 PolarHBondContact OH-CE1 2.86Å; Y102-H144 PolarHBondContact OH-NE2 2.98Å; Y102-I147 HydrophobicContact CD1-CD1 3.12Å; Y102-I147 HydrophobicContact CE1-CD1 3.59Å; Y102-I147 HydrophobicContact CG-CD1 3.88Å; Y102-F211 WeakPolarHBondContact O-CE1 3.25Å
103H91.2Very high86.7Confident13 Ų1343.2 Ų43.26%0.0621%0.211CC..EExtended strand (participates in β ladder)trans-146.2158.7-177.668.889.7000111.2H91 C92 I110 S111 D113 W117H91-H103 AromaticContact CE1-ND1 3.53Å; H91-H103 WeakPolarHBondContact NE2-CB 3.3Å; H91-H103 AromaticContact NE2-CE1 3.77Å; H91-H103 AromaticContact NE2-CG 3.29Å; H91-H103 VanDerWaalsContact NE2-CG 3.29Å; H91-H103 AromaticContact NE2-ND1 2.95Å; H91-H103 PolarHBondContact NE2-ND1 3Å; C92-H103 WeakPolarHBondContact O-CB 3.46Å; H103-I110 CarbonylContact O-C 3.58Å; H103-I110 WeakPolarHBondContact O-CA 3.19Å; H103-S111 PolarHBondContact N-O 3.18Å; H103-S111 PolarHBondContact O-N 2.84Å; H103-D113 IonicContact CD2-OD2 3.21Å; H103-D113 IonicContact NE2-OD1 3.65Å; H103-D113 IonicContact NE2-OD2 2.84Å; H103-D113 PolarHBondContact NE2-OD2 3.23Å; H103-D113 VanDerWaalsContact NE2-OD2 3.13Å; H103-W117 HydrophobicContact CB-CH2 4.38Å; H103-W117 HydrophobicContact CB-CZ2 4.15Å; H103-W117 AromaticContact CD2-CZ2 3.96Å
104F86.6Confident86.5Confident22 Ų2246.1 Ų46.110%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-109135.4178.5174.9-89.3000111.2H91 K106 G109 I110 Y206 C208 F211H91-F104 PolarHBondContact CE1-O 2.89Å; H91-F104 VanDerWaalsContact CE1-O 3.29Å; F104-K106 HydrophobicContact CE1-CG 4.32Å; F104-G109 CarbonylContact C-O 3.39Å; F104-G109 WeakPolarHBondContact CA-O 3.4Å; F104-I110 HydrophobicContact CD2-CG1 4.13Å; F104-Y206 HydrophobicContact CD1-CD1 4.04Å; F104-Y206 HydrophobicContact CD1-CE1 4.1Å; F104-Y206 HydrophobicContact CD2-CE1 4.24Å; F104-Y206 AromaticContact CE1-CD1 3.67Å; F104-Y206 HydrophobicContact CE1-CD1 3.67Å; F104-Y206 HydrophobicContact CE1-CE1 4.13Å; F104-Y206 HydrophobicContact CE2-CD1 4.29Å; F104-Y206 HydrophobicContact CE2-CE1 4.25Å; F104-Y206 HydrophobicContact CG-CE1 4.16Å; F104-Y206 AromaticContact CZ-CD1 3.8Å; F104-Y206 HydrophobicContact CZ-CD1 3.8Å; F104-Y206 HydrophobicContact CZ-CE1 4.2Å; F104-C208 VanDerWaalsContact O-CB 3.29Å; F104-C208 WeakPolarHBondContact O-CB 3.46Å; F104-F211 HydrophobicContact CB-CB 3.6Å; F104-F211 HydrophobicContact CB-CD1 4.22Å; F104-F211 HydrophobicContact CB-CD2 4.37Å; F104-F211 HydrophobicContact CB-CG 3.8Å; F104-F211 HydrophobicContact CG-CB 4.39Å
105T77.7Confident86.1Confident34 Ų3452.8 Ų52.821%0.20927%0.265CS..EExtended strand (participates in β ladder)trans-125.8146.8168.167.60000109.5Q107 Y108 G109T105-Q107 PolarHBondContact O-N 3.03Å; T105-Y108 PolarHBondContact O-N 2.91Å; T105-Y108 WeakPolarHBondContact OG1-CB 3.5Å; T105-Y108 PolarHBondContact OG1-N 3.26Å; T105-Y108 VanDerWaalsContact OG1-N 3.07Å; T105-G109 PolarHBondContact N-O 3.15Å; T105-G109 VanDerWaalsContact O-CA 3.31Å; T105-G109 WeakPolarHBondContact O-CA 3.48Å; T105-G109 PolarHBondContact O-N 3.13Å
106K71.9Confident85.8Confident88 Ų8855.1 Ų55.138%0.38329%0.289SS..THydrogen-bonded Turntrans-59.7-30.6176.2-66.3-170.4179.8-170.10112.3F104 Y157 Q204 Y206F104-K106 HydrophobicContact CE1-CG 4.32Å; K106-Y157 WeakPolarHBondContact O-CE1 3.44Å; K106-Q204 PolarHBondContact NZ-O 3.27Å; K106-Y206 WeakPolarHBondContact CE-O 3.49Å
107Q69.1Low85.7Confident143 Ų14355.1 Ų55.167%0.66829%0.289SS*.THydrogen-bonded Turntrans-78.7-39.1-177.2-173.6175.67.300113.5T105T105-Q107 PolarHBondContact O-N 3.03Å
108Y69.4Low85.7Confident161 Ų16158.6 Ų58.663%0.63130%0.304SS*.THydrogen-bonded Turntrans-117.2-4.8-170.5-56-71.7000114T105T105-Y108 PolarHBondContact O-N 2.91Å; T105-Y108 WeakPolarHBondContact OG1-CB 3.5Å; T105-Y108 PolarHBondContact OG1-N 3.26Å; T105-Y108 VanDerWaalsContact OG1-N 3.07Å
109G74Confident85.7Confident21 Ų2156 Ų5622%0.21629%0.292CS..EExtended strand (participates in β ladder)trans69.5-139.4-170.600000111F104 T105F104-G109 CarbonylContact C-O 3.39Å; F104-G109 WeakPolarHBondContact CA-O 3.4Å; T105-G109 PolarHBondContact N-O 3.15Å; T105-G109 VanDerWaalsContact O-CA 3.31Å; T105-G109 WeakPolarHBondContact O-CA 3.48Å; T105-G109 PolarHBondContact O-N 3.13Å
110I81.4Confident85.6Confident47 Ų4755.9 Ų55.924%0.24129%0.29CS..EExtended strand (participates in β ladder)trans-81.2124.7179.8-60.6172.5000109.7H103 F104 I147 L150 F211H103-I110 CarbonylContact O-C 3.58Å; H103-I110 WeakPolarHBondContact O-CA 3.19Å; F104-I110 HydrophobicContact CD2-CG1 4.13Å; I110-I147 HydrophobicContact CD1-CG1 4.49Å; I110-I147 HydrophobicContact CG2-CD1 4.24Å; I110-I147 HydrophobicContact CG2-CG1 4.41Å; I110-L150 HydrophobicContact CD1-CD1 3.29Å; I110-F211 HydrophobicContact CD1-CD2 4.11Å; I110-F211 HydrophobicContact CD1-CE2 3.68Å; I110-F211 HydrophobicContact CG1-CD2 4.26Å; I110-F211 HydrophobicContact CG1-CE2 4.02Å; I110-F211 HydrophobicContact CG2-CE2 4.49Å; I110-F211 HydrophobicContact CG2-CZ 4.41Å
111S82.3Confident85.6Confident33 Ų3352.5 Ų52.523%0.23128%0.276CS..EExtended strand (participates in β ladder)trans-121.9160.7176.4-66.70000110.8Y102 H103Y102-S111 WeakPolarHBondContact CA-O 3.4Å; H103-S111 PolarHBondContact N-O 3.18Å; H103-S111 PolarHBondContact O-N 2.84Å
112I87.7Confident85.6Confident93 Ų9354.3 Ų54.348%0.47729%0.285SS..EExtended strand (participates in β ladder)trans-125.9117178.1-45.9176.2000108.5K100 V101 Y102K100-I112 HydrophobicContact CB-CG2 3.91Å; K100-I112 HydrophobicContact CD-CG2 4.44Å; K100-I112 HydrophobicContact CG-CG2 4.45Å; V101-I112 CarbonylContact O-C 3.52Å; V101-I112 WeakPolarHBondContact O-CA 3.46Å; Y102-I112 HydrophobicContact CD1-CB 4.41Å; Y102-I112 HydrophobicContact CD1-CD1 3.85Å; Y102-I112 HydrophobicContact CD1-CG1 3.55Å; Y102-I112 HydrophobicContact CD1-CG2 4.24Å; Y102-I112 HydrophobicContact CE1-CB 4.49Å; Y102-I112 HydrophobicContact CE1-CD1 3.36Å; Y102-I112 HydrophobicContact CE1-CG1 3.62Å; Y102-I112 HydrophobicContact CE1-CG2 4.1Å; Y102-I112 HydrophobicContact CE2-CG2 4.39Å; Y102-I112 HydrophobicContact CG-CG1 4.44Å
113D88.6Confident85.7Confident54 Ų5454 Ų5429%0.28928%0.284SS..EExtended strand (participates in β ladder)trans-103.9137.9177.2-75.5-14.3000110.8V101 H103 W117V101-D113 HydrophobicContact CB-CB 4.49Å; V101-D113 PolarHBondContact N-O 3.33Å; V101-D113 PolarHBondContact O-N 2.86Å; H103-D113 IonicContact CD2-OD2 3.21Å; H103-D113 IonicContact NE2-OD1 3.65Å; H103-D113 IonicContact NE2-OD2 2.84Å; H103-D113 PolarHBondContact NE2-OD2 3.23Å; H103-D113 VanDerWaalsContact NE2-OD2 3.13Å; D113-W117 PolarHBondContact OD2-NE1 3.3Å
114S90.9Very high85.7Confident61 Ų6154.4 Ų54.443%0.42729%0.288SS..SBendtrans-111.1-0.5169.1-57.60000112.7H57H57-S114 PolarHBondContact ND1-O 2.66Å
115M89.3Confident86.1Confident140 Ų14053.3 Ų53.369%0.6928%0.283SS*.SBendtrans-145.4163.3179.8-58-64.8150.100109.5H57H57-M115 PolarHBondContact CE1-N 3.17Å; H57-M115 VanDerWaalsContact CE1-N 3.34Å; H57-M115 WeakPolarHBondContact NE2-CA 3.32Å; H57-M115 PolarHBondContact NE2-N 2.93Å
116G88.9Confident86.7Confident50 Ų5052.1 Ų52.152%0.51528%0.276SS..SBendtrans94-0.2172.800000115.3E118G116-E118 VanDerWaalsContact CA-OE2 3.23Å; G116-E118 WeakPolarHBondContact CA-OE2 3.24Å; G116-E118 PolarHBondContact N-OE1 2.61Å; G116-E118 PolarHBondContact N-OE2 3.48Å
117W92.9Very high87.5Confident3 Ų354.9 Ų54.91%0.01129%0.291CS..  trans-114.728.3-180-62.375.1000112.5A56 H57 A71 I73 H91 V101 H103 D113 Q119 S120A56-W117 HydrophobicContact CB-CB 3.61Å; A56-W117 PolarHBondContact N-O 3.37Å; H57-W117 AromaticContact CE1-CD1 3.85Å; H57-W117 WeakPolarHBondContact NE2-CB 3.46Å; H57-W117 AromaticContact NE2-CD1 3.79Å; H57-W117 AromaticContact NE2-CG 3.99Å; H57-W117 PolarHBondContact NE2-N 3.01Å; A71-W117 HydrophobicContact CB-CE3 3.65Å; A71-W117 HydrophobicContact CB-CZ3 3.83Å; I73-W117 HydrophobicContact CB-CE3 4.25Å; I73-W117 HydrophobicContact CB-CZ3 4.29Å; I73-W117 HydrophobicContact CD1-CD2 3.93Å; I73-W117 HydrophobicContact CD1-CE3 3.99Å; I73-W117 HydrophobicContact CD1-CH2 3.92Å; I73-W117 HydrophobicContact CD1-CZ2 3.86Å; I73-W117 HydrophobicContact CD1-CZ3 3.98Å; I73-W117 HydrophobicContact CG1-CD2 4.42Å; I73-W117 HydrophobicContact CG1-CE3 3.96Å; I73-W117 HydrophobicContact CG1-CH2 3.9Å; I73-W117 HydrophobicContact CG1-CZ2 4.37Å; I73-W117 HydrophobicContact CG1-CZ3 3.68Å; I73-W117 HydrophobicContact CG2-CD2 4Å; I73-W117 HydrophobicContact CG2-CE3 3.39Å; I73-W117 HydrophobicContact CG2-CZ3 3.87Å; H91-W117 AromaticContact CD2-CH2 3.41Å; H91-W117 VanDerWaalsContact CD2-CH2 3.41Å; H91-W117 WeakPolarHBondContact CD2-CH2 3.46Å; H91-W117 AromaticContact CD2-CZ2 3.51Å; H91-W117 AromaticContact NE2-CH2 3.86Å; H91-W117 AromaticContact NE2-CZ2 3.79Å; V101-W117 HydrophobicContact CB-CD2 4.15Å; V101-W117 HydrophobicContact CB-CG 4.21Å; V101-W117 HydrophobicContact CG1-CD2 3.73Å; V101-W117 HydrophobicContact CG1-CE3 3.95Å; V101-W117 HydrophobicContact CG1-CG 4.32Å; V101-W117 HydrophobicContact CG1-CH2 3.99Å; V101-W117 HydrophobicContact CG1-CZ2 3.76Å; V101-W117 HydrophobicContact CG1-CZ3 4.08Å; V101-W117 HydrophobicContact CG2-CB 4.09Å; V101-W117 HydrophobicContact CG2-CD2 4.08Å; V101-W117 HydrophobicContact CG2-CG 3.84Å; H103-W117 HydrophobicContact CB-CH2 4.38Å; H103-W117 HydrophobicContact CB-CZ2 4.15Å; H103-W117 AromaticContact CD2-CZ2 3.96Å; D113-W117 PolarHBondContact OD2-NE1 3.3Å; W117-Q119 VanDerWaalsContact C-N 3.29Å; W117-Q119 PolarHBondContact O-N 3.15Å; W117-S120 WeakPolarHBondContact CB-OG 3.33Å; W117-S120 PolarHBondContact O-OG 3.34Å
118E90.9Very high88.6Confident84 Ų8450.6 Ų50.639%0.39327%0.274SS..THydrogen-bonded Turntrans-70.9-22.4-175-60.477.1-168.800113.6S54 N55 G116S54-E118 CarbonylContact C-O 3.5Å; N55-E118 WeakPolarHBondContact CA-O 3.46Å; N55-E118 HydrophobicContact CB-CB 4.47Å; N55-E118 PolarHBondContact N-O 3.14Å; G116-E118 VanDerWaalsContact CA-OE2 3.23Å; G116-E118 WeakPolarHBondContact CA-OE2 3.24Å; G116-E118 PolarHBondContact N-OE1 2.61Å; G116-E118 PolarHBondContact N-OE2 3.48Å
119Q91.6Very high89.6Confident46 Ų4644.6 Ų44.622%0.21525%0.254CS..THydrogen-bonded Turntrans-119.666.8175.2-63.3-167.56.100110.9F53 S80 I81 W117F53-Q119 HydrophobicContact CD2-CB 3.92Å; F53-Q119 HydrophobicContact CD2-CG 3.86Å; F53-Q119 HydrophobicContact CE2-CB 4.28Å; F53-Q119 HydrophobicContact CE2-CG 3.72Å; F53-Q119 HydrophobicContact CG-CB 4.38Å; F53-Q119 HydrophobicContact CZ-CG 4.44Å; S80-Q119 VanDerWaalsContact CA-OE1 3.23Å; S80-Q119 PolarHBondContact OG-OE1 3.4Å; I81-Q119 HydrophobicContact CG2-CB 4.25Å; W117-Q119 VanDerWaalsContact C-N 3.29Å; W117-Q119 PolarHBondContact O-N 3.15Å
120S92.8Very high90.3Very high0 Ų046.1 Ų46.10%027%0.27CS..BIsolated β-bridgetrans-104.5143-179.2-60.40000111.6F53 S54 F72 I73 W117 I122F53-S120 CarbonylContact C-O 3.6Å; F53-S120 VanDerWaalsContact CA-O 3.29Å; F53-S120 WeakPolarHBondContact CA-O 3.4Å; F53-S120 WeakPolarHBondContact CB-O 3.45Å; S54-S120 PolarHBondContact N-O 3.23Å; S54-S120 PolarHBondContact O-N 2.82Å; F72-S120 CarbonylContact O-C 3.53Å; F72-S120 VanDerWaalsContact O-CA 3.3Å; F72-S120 WeakPolarHBondContact O-CA 3.34Å; I73-S120 WeakPolarHBondContact CG2-OG 3.47Å; W117-S120 WeakPolarHBondContact CB-OG 3.33Å; W117-S120 PolarHBondContact O-OG 3.34Å; S120-I122 VanDerWaalsContact CB-CD1 3.49Å; S120-I122 PolarHBondContact O-N 2.99Å
121I93.6Very high90.6Very high1 Ų144.9 Ų44.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-74.4120.7158.4-60.3171.2000106.4A71 F72 I81 I123 L234 Q237 L238 V241A71-I121 CarbonylContact C-O 3.41Å; A71-I121 WeakPolarHBondContact CA-O 3.41Å; F72-I121 HydrophobicContact CB-CB 4.31Å; F72-I121 PolarHBondContact N-O 3.42Å; F72-I121 PolarHBondContact O-N 3.23Å; I81-I121 HydrophobicContact CD1-CD1 4.06Å; I81-I121 HydrophobicContact CD1-CG1 4.26Å; I81-I121 HydrophobicContact CG1-CD1 4.09Å; I81-I121 HydrophobicContact CG1-CG1 3.95Å; I121-I123 HydrophobicContact CG2-CG1 4.41Å; I121-L234 HydrophobicContact CB-CD1 4.49Å; I121-L234 HydrophobicContact CD1-CD1 3.93Å; I121-L234 HydrophobicContact CG2-CD1 4.13Å; I121-Q237 HydrophobicContact CG2-CB 3.47Å; I121-Q237 VanDerWaalsContact CG2-CB 3.47Å; I121-Q237 HydrophobicContact CG2-CG 3.8Å; I121-L238 HydrophobicContact CD1-CD2 3.6Å; I121-L238 HydrophobicContact CD1-CG 4.2Å; I121-V241 HydrophobicContact CD1-CG2 3.83Å; I121-V241 HydrophobicContact CG1-CG2 4.1Å
122I93.9Very high90.7Very high37 Ų3752 Ų5219%0.1929%0.292CS..EExtended strand (participates in β ladder)trans-107.9127-179.4-54.1-60.2000108.7S54 A56 R69 I70 A71 I95 S120S54-I122 WeakPolarHBondContact OG-CG1 3.15Å; A56-I122 HydrophobicContact CB-CD1 3.88Å; R69-I122 HydrophobicContact CB-CG2 4.17Å; R69-I122 HydrophobicContact CG-CG2 4.26Å; I70-I122 WeakPolarHBondContact O-CA 3.48Å; A71-I122 HydrophobicContact CB-CD1 3.7Å; I95-I122 HydrophobicContact CD1-CD1 3.54Å; I95-I122 HydrophobicContact CD1-CG2 4.24Å; S120-I122 VanDerWaalsContact CB-CD1 3.49Å; S120-I122 PolarHBondContact O-N 2.99Å
123I94Very high90.6Very high4 Ų453.4 Ų53.42%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-114.2127.2175.4-58.5177.3000108.7R69 I70 F72 I121 V125 V128 W233 L234 Q237R69-I123 WeakPolarHBondContact CA-O 3.39Å; I70-I123 HydrophobicContact CD1-CB 4.22Å; I70-I123 HydrophobicContact CG1-CB 3.75Å; I70-I123 HydrophobicContact CG1-CG2 4.45Å; I70-I123 PolarHBondContact N-O 2.87Å; I70-I123 PolarHBondContact O-N 3.26Å; F72-I123 HydrophobicContact CD2-CD1 4.33Å; F72-I123 HydrophobicContact CE2-CD1 3.91Å; I121-I123 HydrophobicContact CG2-CG1 4.41Å; I123-V125 PolarHBondContact O-N 3.44Å; I123-V128 HydrophobicContact CG2-CG1 3.81Å; I123-V128 HydrophobicContact CG2-CG2 4.11Å; I123-W233 HydrophobicContact CD1-CB 3.98Å; I123-W233 HydrophobicContact CG2-CB 4.39Å; I123-L234 HydrophobicContact CD1-CB 4.26Å; I123-Q237 HydrophobicContact CD1-CG 4.31Å; I123-Q237 HydrophobicContact CG1-CG 4.1Å
124S92.8Very high90.7Very high20 Ų2051 Ų5114%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-80.7106.5170.8-177.70000109.3A68 S126 E127 V128A68-S124 CarbonylContact O-C 3.33Å; A68-S124 WeakPolarHBondContact O-CA 3.34Å; S124-S126 VanDerWaalsContact C-N 3.29Å; S124-S126 PolarHBondContact O-N 3.49Å; S124-S126 PolarHBondContact OG-OG 3.36Å; S124-E127 WeakPolarHBondContact CB-OE1 3.3Å; S124-E127 PolarHBondContact O-N 3.12Å; S124-E127 VanDerWaalsContact OG-CD 3.28Å; S124-E127 WeakPolarHBondContact OG-CG 3.35Å; S124-E127 PolarHBondContact OG-OE1 3.46Å; S124-E127 VanDerWaalsContact OG-OE1 3.09Å; S124-V128 WeakPolarHBondContact O-CG2 3.15Å; S124-V128 PolarHBondContact O-N 3.44Å; S124-V128 VanDerWaalsContact O-N 3.15Å
125V93.7Very high90.6Very high0 Ų049.9 Ų49.90%028%0.278CS..Hα-helixtrans-61.3-40.5-178.3179.50000110.6A68 I70 I123 E127 V128 T129 L134 W139 I216A68-V125 HydrophobicContact CB-CB 3.84Å; A68-V125 HydrophobicContact CB-CG2 4.36Å; A68-V125 PolarHBondContact O-N 3.21Å; I70-V125 HydrophobicContact CG1-CG2 4.38Å; I70-V125 HydrophobicContact CG2-CG2 3.76Å; I123-V125 PolarHBondContact O-N 3.44Å; V125-E127 VanDerWaalsContact C-N 3.3Å; V125-E127 PolarHBondContact O-N 3.15Å; V125-V128 WeakPolarHBondContact O-CG2 3.41Å; V125-V128 PolarHBondContact O-N 3.35Å; V125-T129 HydrophobicContact CG1-CG2 4.05Å; V125-T129 VanDerWaalsContact O-CB 3.3Å; V125-T129 WeakPolarHBondContact O-CB 3.37Å; V125-T129 VanDerWaalsContact O-CG2 3.25Å; V125-T129 WeakPolarHBondContact O-CG2 3.3Å; V125-T129 PolarHBondContact O-N 2.88Å; V125-T129 PolarHBondContact O-OG1 2.98Å; V125-L134 HydrophobicContact CB-CD2 4.41Å; V125-L134 HydrophobicContact CG1-CD2 4.06Å; V125-W139 HydrophobicContact CG2-CH2 4.29Å; V125-I216 HydrophobicContact CG1-CD1 4.28Å; V125-I216 HydrophobicContact CG1-CG1 4.23Å; V125-I216 HydrophobicContact CG1-CG2 3.93Å; V125-I216 HydrophobicContact CG2-CD1 3.99Å; V125-I216 HydrophobicContact CG2-CG1 4.28Å
126S90.8Very high90.6Very high8 Ų843.4 Ų43.46%0.05625%0.247CC..Hα-helixtrans-62.7-35.5178.253.10000112.7P66 S124 G130 C131P66-S126 WeakPolarHBondContact O-CB 3.4Å; P66-S126 PolarHBondContact O-OG 2.99Å; S124-S126 VanDerWaalsContact C-N 3.29Å; S124-S126 PolarHBondContact O-N 3.49Å; S124-S126 PolarHBondContact OG-OG 3.36Å; S126-G130 CarbonylContact O-C 3.43Å; S126-G130 WeakPolarHBondContact O-CA 3.27Å; S126-G130 PolarHBondContact O-N 3.29Å; S126-C131 PolarHBondContact O-N 3.33Å; S126-C131 VanDerWaalsContact O-N 3.14Å
127E89.7Confident90.7Very high147 Ų14743.5 Ų43.569%0.68724%0.24SC*.Hα-helixtrans-71.4-49.9177-73166.1-147.100111.7S124 V125 T129 G130S124-E127 WeakPolarHBondContact CB-OE1 3.3Å; S124-E127 PolarHBondContact O-N 3.12Å; S124-E127 VanDerWaalsContact OG-CD 3.28Å; S124-E127 WeakPolarHBondContact OG-CG 3.35Å; S124-E127 PolarHBondContact OG-OE1 3.46Å; S124-E127 VanDerWaalsContact OG-OE1 3.09Å; V125-E127 VanDerWaalsContact C-N 3.3Å; V125-E127 PolarHBondContact O-N 3.15Å; E127-T129 VanDerWaalsContact C-N 3.28Å; E127-T129 PolarHBondContact O-N 2.86Å; E127-G130 PolarHBondContact O-N 2.81Å
128V90.9Very high90.5Very high53 Ų5347.9 Ų47.932%0.32126%0.259SS..Hα-helixtrans-72.2-21.1-177.3-59.90000113.5I123 S124 V125 W233I123-V128 HydrophobicContact CG2-CG1 3.81Å; I123-V128 HydrophobicContact CG2-CG2 4.11Å; S124-V128 WeakPolarHBondContact O-CG2 3.15Å; S124-V128 PolarHBondContact O-N 3.44Å; S124-V128 VanDerWaalsContact O-N 3.15Å; V125-V128 WeakPolarHBondContact O-CG2 3.41Å; V125-V128 PolarHBondContact O-N 3.35Å; V128-W233 HydrophobicContact CB-CD2 3.99Å; V128-W233 HydrophobicContact CB-CG 4.06Å; V128-W233 HydrophobicContact CB-CZ2 4.43Å; V128-W233 HydrophobicContact CG1-CG 4.28Å; V128-W233 HydrophobicContact CG2-CD2 3.5Å; V128-W233 HydrophobicContact CG2-CE3 3.67Å; V128-W233 HydrophobicContact CG2-CG 4.04Å; V128-W233 HydrophobicContact CG2-CH2 3.99Å; V128-W233 HydrophobicContact CG2-CZ2 3.82Å; V128-W233 HydrophobicContact CG2-CZ3 3.91Å
129T90.5Very high90.7Very high34 Ų3444 Ų4421%0.20924%0.24CC..Hα-helixtrans-99.4-16.2175.362.80000113.3V125 E127 C131 I220 W233V125-T129 HydrophobicContact CG1-CG2 4.05Å; V125-T129 VanDerWaalsContact O-CB 3.3Å; V125-T129 WeakPolarHBondContact O-CB 3.37Å; V125-T129 VanDerWaalsContact O-CG2 3.25Å; V125-T129 WeakPolarHBondContact O-CG2 3.3Å; V125-T129 PolarHBondContact O-N 2.88Å; V125-T129 PolarHBondContact O-OG1 2.98Å; E127-T129 VanDerWaalsContact C-N 3.28Å; E127-T129 PolarHBondContact O-N 2.86Å; T129-C131 PolarHBondContact O-N 2.94Å; T129-C131 WeakPolarHBondContact OG1-CB 3.46Å; T129-C131 PolarHBondContact OG1-N 2.88Å; T129-I220 HydrophobicContact CG2-CD1 3.87Å; T129-W233 HydrophobicContact CG2-CH2 3.61Å; T129-W233 HydrophobicContact CG2-CZ2 3.79Å
130G88.3Confident90.7Very high53 Ų5343.2 Ų43.255%0.54624%0.238SC..  trans69.210.6-170.500000114.4S126 E127 K132S126-G130 CarbonylContact O-C 3.43Å; S126-G130 WeakPolarHBondContact O-CA 3.27Å; S126-G130 PolarHBondContact O-N 3.29Å; E127-G130 PolarHBondContact O-N 2.81Å; G130-K132 PolarHBondContact O-N 2.82Å
131C88.1Confident90.6Very high22 Ų2248.1 Ų48.115%0.14926%0.261CS..  trans-76.284.6-176-168.20000111.5S126 T129 N133 L134 I220S126-C131 PolarHBondContact O-N 3.33Å; S126-C131 VanDerWaalsContact O-N 3.14Å; T129-C131 PolarHBondContact O-N 2.94Å; T129-C131 WeakPolarHBondContact OG1-CB 3.46Å; T129-C131 PolarHBondContact OG1-N 2.88Å; C131-N133 VanDerWaalsContact C-N 3.28Å; C131-N133 PolarHBondContact O-N 3.21Å; C131-N133 PolarHBondContact SG-OD1 3.2Å; C131-L134 HydrophobicContact CB-CB 4.24Å; C131-L134 WeakPolarHBondContact O-CB 3.09Å; C131-L134 PolarHBondContact O-N 3.1Å; C131-I220 HydrophobicContact CB-CG2 4.15Å
132K84.1Confident90.5Very high181 Ų18148.2 Ų48.279%0.78726%0.261SS*.THydrogen-bonded Turntrans-68.2-22-175.6-64.3-175.7-178.2-179.20114.7G130 L134G130-K132 PolarHBondContact O-N 2.82Å; K132-L134 VanDerWaalsContact C-N 3.3Å
133N86.9Confident90.3Very high124 Ų12446.5 Ų46.566%0.66325%0.252SS*.THydrogen-bonded Turntrans-84.1-4.4177.662.1-41000112.9C131 T135C131-N133 VanDerWaalsContact C-N 3.28Å; C131-N133 PolarHBondContact O-N 3.21Å; C131-N133 PolarHBondContact SG-OD1 3.2Å; N133-T135 PolarHBondContact O-N 3.15Å
134L89.6Confident90Very high3 Ų349.9 Ų49.92%0.01627%0.268CS..  trans-78.769.9175.4-169.160.9000110.7P66 A68 V125 C131 K132 K138 W139 A219 I220P66-L134 CarbonylContact C-O 3.41Å; P66-L134 WeakPolarHBondContact CA-O 3.42Å; A68-L134 HydrophobicContact CB-CD2 3.28Å; A68-L134 HydrophobicContact CB-CG 3.69Å; V125-L134 HydrophobicContact CB-CD2 4.41Å; V125-L134 HydrophobicContact CG1-CD2 4.06Å; C131-L134 HydrophobicContact CB-CB 4.24Å; C131-L134 WeakPolarHBondContact O-CB 3.09Å; C131-L134 PolarHBondContact O-N 3.1Å; K132-L134 VanDerWaalsContact C-N 3.3Å; L134-K138 HydrophobicContact CD1-CG 4.45Å; L134-W139 HydrophobicContact CD1-CE3 4.15Å; L134-W139 HydrophobicContact CD2-CE3 4.17Å; L134-W139 HydrophobicContact CD2-CZ3 4.44Å; L134-W139 HydrophobicContact CG-CE3 4.41Å; L134-A219 HydrophobicContact CD1-CB 3.82Å; L134-I220 HydrophobicContact CD1-CG2 4.34Å; L134-I220 HydrophobicContact CD2-CG2 3.75Å; L134-I220 HydrophobicContact CG-CG2 4.49Å
135T90.1Very high89.6Confident38 Ų3851 Ų5123%0.23328%0.276CS..  trans-67.9160.8178.366.70000111.6P63 N133 S137 K138 W139P63-T135 WeakPolarHBondContact O-CB 3.37Å; N133-T135 PolarHBondContact O-N 3.15Å; T135-S137 VanDerWaalsContact C-N 3.27Å; T135-S137 PolarHBondContact O-N 3.05Å; T135-K138 PolarHBondContact O-N 2.92Å; T135-K138 VanDerWaalsContact O-N 3.16Å; T135-K138 WeakPolarHBondContact OG1-CB 3.36Å; T135-K138 PolarHBondContact OG1-N 3.3Å; T135-W139 WeakPolarHBondContact O-CB 3.46Å; T135-W139 PolarHBondContact O-N 3.2Å
136S89.1Confident89.1Confident4 Ų452.7 Ų52.73%0.02828%0.283CS..Hα-helixtrans-61.4-35.3177.677.70000112.6F62 P63 Y65 W139 N140F62-S136 PolarHBondContact O-OG 3.43Å; P63-S136 VanDerWaalsContact CA-OG 3.24Å; P63-S136 WeakPolarHBondContact CA-OG 3.3Å; P63-S136 PolarHBondContact O-OG 2.87Å; Y65-S136 PolarHBondContact O-N 2.94Å; Y65-S136 VanDerWaalsContact O-N 3.15Å; S136-W139 PolarHBondContact O-N 3.26Å; S136-N140 WeakPolarHBondContact O-CB 3.49Å; S136-N140 PolarHBondContact O-N 3.33Å; S136-N140 PolarHBondContact O-OD1 3.5Å
137S89.5Confident88.5Confident52 Ų5252.9 Ų52.936%0.36428%0.283SS..Hα-helixtrans-61.7-49173.6-165.40000110.9T135 W139 N140 E141T135-S137 VanDerWaalsContact C-N 3.27Å; T135-S137 PolarHBondContact O-N 3.05Å; S137-W139 VanDerWaalsContact C-N 3.31Å; S137-W139 PolarHBondContact O-N 3.29Å; S137-N140 PolarHBondContact O-N 3.36Å; S137-E141 WeakPolarHBondContact O-CB 3.23Å; S137-E141 VanDerWaalsContact O-CG 3.28Å; S137-E141 WeakPolarHBondContact O-CG 3.31Å; S137-E141 PolarHBondContact O-N 3.39Å; S137-E141 PolarHBondContact OG-OE1 2.88Å
138K90.6Very high87.6Confident95 Ų9550.4 Ų50.441%0.41327%0.274SS..Hα-helixtrans-63.4-40.8-179.7-176.557.5178.5173.70111.5L134 T135 E141 T142L134-K138 HydrophobicContact CD1-CG 4.45Å; T135-K138 PolarHBondContact O-N 2.92Å; T135-K138 VanDerWaalsContact O-N 3.16Å; T135-K138 WeakPolarHBondContact OG1-CB 3.36Å; T135-K138 PolarHBondContact OG1-N 3.3Å; K138-E141 PolarHBondContact O-N 3.01Å; K138-T142 WeakPolarHBondContact O-CB 3.34Å; K138-T142 PolarHBondContact O-N 3.45Å; K138-T142 PolarHBondContact O-OG1 2.58Å; K138-T142 VanDerWaalsContact O-OG1 3.1Å
139W93.7Very high86.5Confident2 Ų251.8 Ų51.81%0.00828%0.28CS..Hα-helixtrans-61.5-48.1176.4-178.9-114.1000112.1A68 I70 V94 I95 V125 L134 T135 S136 S137 E141 T142 I143 I215 I216 A219A68-W139 HydrophobicContact CB-CB 4.19Å; A68-W139 HydrophobicContact CB-CD2 3.36Å; A68-W139 HydrophobicContact CB-CE3 3.47Å; A68-W139 VanDerWaalsContact CB-CE3 3.47Å; A68-W139 HydrophobicContact CB-CG 3.71Å; A68-W139 HydrophobicContact CB-CH2 4.32Å; A68-W139 HydrophobicContact CB-CZ2 4.23Å; A68-W139 HydrophobicContact CB-CZ3 3.97Å; I70-W139 HydrophobicContact CG2-CH2 4.45Å; I70-W139 HydrophobicContact CG2-CZ2 4.34Å; V94-W139 HydrophobicContact CB-CH2 4.5Å; V94-W139 HydrophobicContact CB-CZ2 3.84Å; V94-W139 HydrophobicContact CG1-CH2 4.28Å; V94-W139 HydrophobicContact CG1-CZ2 4.09Å; I95-W139 PolarHBondContact O-NE1 2.87Å; V125-W139 HydrophobicContact CG2-CH2 4.29Å; L134-W139 HydrophobicContact CD1-CE3 4.15Å; L134-W139 HydrophobicContact CD2-CE3 4.17Å; L134-W139 HydrophobicContact CD2-CZ3 4.44Å; L134-W139 HydrophobicContact CG-CE3 4.41Å; T135-W139 WeakPolarHBondContact O-CB 3.46Å; T135-W139 PolarHBondContact O-N 3.2Å; S136-W139 PolarHBondContact O-N 3.26Å; S137-W139 VanDerWaalsContact C-N 3.31Å; S137-W139 PolarHBondContact O-N 3.29Å; W139-E141 PolarHBondContact O-N 3.42Å; W139-T142 WeakPolarHBondContact O-CB 3.49Å; W139-T142 PolarHBondContact O-N 2.9Å; W139-I143 HydrophobicContact CD2-CD1 4.25Å; W139-I143 HydrophobicContact CG-CD1 4.29Å; W139-I143 HydrophobicContact CZ2-CD1 4.27Å; W139-I143 VanDerWaalsContact NE1-CD1 3.34Å; W139-I143 WeakPolarHBondContact O-CG1 3.29Å; W139-I143 PolarHBondContact O-N 2.91Å; W139-I215 HydrophobicContact CH2-CG2 3.69Å; W139-I215 HydrophobicContact CZ2-CG2 4.3Å; W139-I215 HydrophobicContact CZ3-CG2 3.91Å; W139-I216 HydrophobicContact CH2-CG1 4.03Å; W139-I216 HydrophobicContact CZ3-CG1 4.4Å; W139-A219 HydrophobicContact CE3-CB 3.98Å; W139-A219 HydrophobicContact CZ3-CB 3.82Å
140N91.8Very high85Confident30 Ų3050.7 Ų50.716%0.1627%0.273CS..Hα-helixtrans-61.2-46.8176-70.11.3000111.4D96 S97 S136 S137 T142 I143 H144D96-N140 WeakPolarHBondContact CA-OD1 3.34Å; D96-N140 WeakPolarHBondContact CB-OD1 3.46Å; S97-N140 PolarHBondContact N-OD1 2.76Å; S97-N140 PolarHBondContact OG-ND2 3.02Å; S136-N140 WeakPolarHBondContact O-CB 3.49Å; S136-N140 PolarHBondContact O-N 3.33Å; S136-N140 PolarHBondContact O-OD1 3.5Å; S137-N140 PolarHBondContact O-N 3.36Å; N140-T142 VanDerWaalsContact C-N 3.29Å; N140-T142 PolarHBondContact O-N 2.91Å; N140-I143 PolarHBondContact O-N 3.28Å; N140-H144 WeakPolarHBondContact O-CB 3.46Å; N140-H144 PolarHBondContact O-N 3.02Å; N140-H144 PolarHBondContact O-ND1 3.21Å
141E90.5Very high83.1Confident103 Ų10353.6 Ų53.648%0.48128%0.276SS..Hα-helixtrans-57.8-42.7176.2-75163.8-146.600111.4S137 K138 W139 S145S137-E141 WeakPolarHBondContact O-CB 3.23Å; S137-E141 VanDerWaalsContact O-CG 3.28Å; S137-E141 WeakPolarHBondContact O-CG 3.31Å; S137-E141 PolarHBondContact O-N 3.39Å; S137-E141 PolarHBondContact OG-OE1 2.88Å; K138-E141 PolarHBondContact O-N 3.01Å; W139-E141 PolarHBondContact O-N 3.42Å; E141-S145 WeakPolarHBondContact O-CA 3.36Å; E141-S145 WeakPolarHBondContact O-CB 3.5Å; E141-S145 PolarHBondContact O-N 3.36Å
142T91.2Very high80.9Confident3 Ų353.9 Ų53.92%0.01828%0.283CS..Hα-helixtrans-60.2-50.9174.5-73.60000111K138 W139 N140 H144 S145 Y146 I215 Y218 A219K138-T142 WeakPolarHBondContact O-CB 3.34Å; K138-T142 PolarHBondContact O-N 3.45Å; K138-T142 PolarHBondContact O-OG1 2.58Å; K138-T142 VanDerWaalsContact O-OG1 3.1Å; W139-T142 WeakPolarHBondContact O-CB 3.49Å; W139-T142 PolarHBondContact O-N 2.9Å; N140-T142 VanDerWaalsContact C-N 3.29Å; N140-T142 PolarHBondContact O-N 2.91Å; T142-H144 PolarHBondContact O-N 3.33Å; T142-S145 PolarHBondContact O-N 3.35Å; T142-Y146 VanDerWaalsContact O-CB 3.23Å; T142-Y146 WeakPolarHBondContact O-CB 3.28Å; T142-Y146 PolarHBondContact O-N 2.79Å; T142-I215 HydrophobicContact CG2-CG2 4.28Å; T142-Y218 HydrophobicContact CG2-CD1 3.62Å; T142-Y218 HydrophobicContact CG2-CE1 4.45Å; T142-Y218 HydrophobicContact CG2-CG 4.5Å; T142-A219 HydrophobicContact CG2-CB 3.65Å
143I90.8Very high79Confident0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-56.9-52.1179.3-69.4168.8000110.1V94 D96 Y102 W139 N140 Y146 I147 I215V94-I143 HydrophobicContact CB-CD1 4.25Å; V94-I143 HydrophobicContact CG2-CD1 3.83Å; V94-I143 HydrophobicContact CG2-CG1 3.89Å; V94-I143 HydrophobicContact CG2-CG2 4.39Å; D96-I143 HydrophobicContact CB-CD1 4.41Å; Y102-I143 HydrophobicContact CD1-CG2 4.06Å; Y102-I143 HydrophobicContact CD2-CG2 3.85Å; Y102-I143 HydrophobicContact CE1-CG2 4.13Å; Y102-I143 HydrophobicContact CE2-CG2 3.99Å; Y102-I143 HydrophobicContact CG-CG2 3.89Å; W139-I143 HydrophobicContact CD2-CD1 4.25Å; W139-I143 HydrophobicContact CG-CD1 4.29Å; W139-I143 HydrophobicContact CZ2-CD1 4.27Å; W139-I143 VanDerWaalsContact NE1-CD1 3.34Å; W139-I143 WeakPolarHBondContact O-CG1 3.29Å; W139-I143 PolarHBondContact O-N 2.91Å; N140-I143 PolarHBondContact O-N 3.28Å; I143-Y146 PolarHBondContact O-N 3.24Å; I143-I147 HydrophobicContact CG2-CD1 3.64Å; I143-I147 WeakPolarHBondContact O-CB 3.45Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.04Å; I143-I215 HydrophobicContact CG1-CG2 4.16Å
144H87Confident76.9Confident75 Ų7542.9 Ų42.935%0.34723%0.233SC..Hα-helixtrans-66.8-41.2-177.4-71.781.1000111.9Y102 N140 T142 N148Y102-H144 PolarHBondContact OH-CE1 2.86Å; Y102-H144 PolarHBondContact OH-NE2 2.98Å; N140-H144 WeakPolarHBondContact O-CB 3.46Å; N140-H144 PolarHBondContact O-N 3.02Å; N140-H144 PolarHBondContact O-ND1 3.21Å; T142-H144 PolarHBondContact O-N 3.33Å; H144-N148 WeakPolarHBondContact O-CB 3.48Å; H144-N148 PolarHBondContact O-N 3.4Å; H144-N148 PolarHBondContact O-ND2 3.48Å; H144-N148 VanDerWaalsContact O-ND2 3.17Å
145S84.5Confident75Confident44 Ų4446.8 Ų46.831%0.30825%0.248SC..Hα-helixtrans-65.2-43.8177.4-176.40000110.9E141 T142 N149 Y218E141-S145 WeakPolarHBondContact O-CA 3.36Å; E141-S145 WeakPolarHBondContact O-CB 3.5Å; E141-S145 PolarHBondContact O-N 3.36Å; T142-S145 PolarHBondContact O-N 3.35Å; S145-N149 VanDerWaalsContact O-CB 3.25Å; S145-N149 WeakPolarHBondContact O-CB 3.23Å; S145-N149 PolarHBondContact O-N 3.12Å; S145-N149 PolarHBondContact O-ND2 3.29Å; S145-N149 PolarHBondContact OG-ND2 2.83Å; S145-Y218 PolarHBondContact OG-OH 3.29Å
146Y84Confident72.9Confident36 Ų3646.4 Ų46.414%0.14125%0.246CC..Hα-helixtrans-59.7-56.2176.5-172.3-96.4000109.2T142 I143 N148 N149 L150 F211 D214 I215 Y218T142-Y146 VanDerWaalsContact O-CB 3.23Å; T142-Y146 WeakPolarHBondContact O-CB 3.28Å; T142-Y146 PolarHBondContact O-N 2.79Å; I143-Y146 PolarHBondContact O-N 3.24Å; Y146-N148 PolarHBondContact O-N 3.44Å; Y146-N149 PolarHBondContact O-N 2.98Å; Y146-L150 HydrophobicContact CD1-CD1 3.71Å; Y146-L150 HydrophobicContact CD1-CG 4.24Å; Y146-L150 HydrophobicContact CE1-CD1 3.37Å; Y146-L150 HydrophobicContact CE1-CD2 4.5Å; Y146-L150 HydrophobicContact CE1-CG 4.15Å; Y146-L150 VanDerWaalsContact O-CG 3.3Å; Y146-L150 WeakPolarHBondContact O-CG 3.37Å; Y146-L150 PolarHBondContact O-N 3.07Å; Y146-F211 HydrophobicContact CD1-CE2 4.22Å; Y146-F211 HydrophobicContact CE1-CD2 4.14Å; Y146-F211 HydrophobicContact CE1-CE2 4.01Å; Y146-D214 HydrophobicContact CE1-CB 4.42Å; Y146-D214 HydrophobicContact CE2-CB 4Å; Y146-D214 WeakPolarHBondContact OH-CB 3.01Å; Y146-D214 PolarHBondContact OH-OD2 3.23Å; Y146-I215 HydrophobicContact CD1-CD1 3.22Å; Y146-I215 HydrophobicContact CD1-CG1 4.08Å; Y146-I215 HydrophobicContact CD2-CD1 4.4Å; Y146-I215 HydrophobicContact CE1-CD1 3.93Å; Y146-I215 HydrophobicContact CE1-CG1 4.32Å; Y146-I215 HydrophobicContact CG-CD1 3.49Å; Y146-I215 VanDerWaalsContact CG-CD1 3.49Å; Y146-Y218 HydrophobicContact CD2-CD1 4.27Å; Y146-Y218 HydrophobicContact CD2-CD2 4.5Å; Y146-Y218 HydrophobicContact CD2-CG 4.08Å
147I76.7Confident70.6Confident12 Ų1250 Ų506%0.06226%0.26CS..Hα-helixtrans-61.7-39.1-178.9-66172000112.6Y102 I110 I143 L150 N151Y102-I147 HydrophobicContact CD1-CD1 3.12Å; Y102-I147 HydrophobicContact CE1-CD1 3.59Å; Y102-I147 HydrophobicContact CG-CD1 3.88Å; I110-I147 HydrophobicContact CD1-CG1 4.49Å; I110-I147 HydrophobicContact CG2-CD1 4.24Å; I110-I147 HydrophobicContact CG2-CG1 4.41Å; I143-I147 HydrophobicContact CG2-CD1 3.64Å; I143-I147 WeakPolarHBondContact O-CB 3.45Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.04Å; I147-L150 CarbonylContact O-C 3.56Å; I147-L150 WeakPolarHBondContact O-CA 3.42Å; I147-L150 WeakPolarHBondContact O-CB 3.44Å; I147-L150 PolarHBondContact O-N 3.14Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-N151 PolarHBondContact O-N 2.87Å
148N72.7Confident68.5Low95 Ų9549.2 Ų49.251%0.50825%0.253SS..Hα-helixtrans-70.8-36.2178.3-74.1-26.2000112.2H144 Y146 L150 N151 G152H144-N148 WeakPolarHBondContact O-CB 3.48Å; H144-N148 PolarHBondContact O-N 3.4Å; H144-N148 PolarHBondContact O-ND2 3.48Å; H144-N148 VanDerWaalsContact O-ND2 3.17Å; Y146-N148 PolarHBondContact O-N 3.44Å; N148-L150 PolarHBondContact O-N 3.18Å; N148-N151 PolarHBondContact O-N 3.3Å; N148-G152 PolarHBondContact O-N 3.09Å
149N66.3Low66.4Low82 Ų8249.6 Ų49.644%0.43926%0.259SS..Hα-helixtrans-63-33.2170.4-68.6-22.6000110.2S145 Y146 S153S145-N149 VanDerWaalsContact O-CB 3.25Å; S145-N149 WeakPolarHBondContact O-CB 3.23Å; S145-N149 PolarHBondContact O-N 3.12Å; S145-N149 PolarHBondContact O-ND2 3.29Å; S145-N149 PolarHBondContact OG-ND2 2.83Å; Y146-N149 PolarHBondContact O-N 2.98Å; N149-S153 PolarHBondContact O-OG 3.22Å
150L59.4Low64.4Low11 Ų1153.6 Ų53.66%0.05828%0.281CS..Hα-helixtrans-73.1-37.5170.1-56.4-176.1000112.9I110 Y146 I147 N148 S153 Y155I110-L150 HydrophobicContact CD1-CD1 3.29Å; Y146-L150 HydrophobicContact CD1-CD1 3.71Å; Y146-L150 HydrophobicContact CD1-CG 4.24Å; Y146-L150 HydrophobicContact CE1-CD1 3.37Å; Y146-L150 HydrophobicContact CE1-CD2 4.5Å; Y146-L150 HydrophobicContact CE1-CG 4.15Å; Y146-L150 VanDerWaalsContact O-CG 3.3Å; Y146-L150 WeakPolarHBondContact O-CG 3.37Å; Y146-L150 PolarHBondContact O-N 3.07Å; I147-L150 CarbonylContact O-C 3.56Å; I147-L150 WeakPolarHBondContact O-CA 3.42Å; I147-L150 WeakPolarHBondContact O-CB 3.44Å; I147-L150 PolarHBondContact O-N 3.14Å; I147-L150 VanDerWaalsContact O-N 3.15Å; N148-L150 PolarHBondContact O-N 3.18Å; L150-S153 CarbonylContact O-C 3.51Å; L150-S153 WeakPolarHBondContact O-CA 3.43Å; L150-S153 WeakPolarHBondContact O-CB 3.39Å; L150-S153 PolarHBondContact O-N 2.93Å; L150-S153 VanDerWaalsContact O-O 3.08Å; L150-S153 PolarHBondContact O-OG 3.05Å; L150-Y155 HydrophobicContact CB-CE2 3.67Å; L150-Y155 WeakPolarHBondContact CD1-OH 3.39Å; L150-Y155 HydrophobicContact CD2-CE2 4.44Å; L150-Y155 WeakPolarHBondContact CD2-OH 3.18Å; L150-Y155 HydrophobicContact CG-CE2 4.45Å; L150-Y155 WeakPolarHBondContact CG-OH 3.37Å; L150-Y155 WeakPolarHBondContact O-CE2 3.35Å
151N48.4Very low62.3Low113 Ų11355.8 Ų55.860%0.60430%0.297SS*.Hα-helixtrans-76.8-26.9-179.7-76.7-19.6000113.5I147 N148 S153I147-N151 PolarHBondContact O-N 2.87Å; N148-N151 PolarHBondContact O-N 3.3Å; N151-S153 PolarHBondContact O-N 2.87Å; N151-S153 VanDerWaalsContact O-N 3.14Å
152G42Very low60.6Low29 Ų2957.3 Ų57.330%0.29931%0.308SS..THydrogen-bonded Turntrans-62-9.3162.200000112N148 G174N148-G152 PolarHBondContact O-N 3.09Å; G152-G174 WeakPolarHBondContact O-CA 3.4Å
153S43.7Very low58.8Low10 Ų1057.6 Ų57.67%0.0731%0.312CS..SBendtrans-103.4139.2178.8-44.20000114.2N149 L150 N151 Y155 S175 H177N149-S153 PolarHBondContact O-OG 3.22Å; L150-S153 CarbonylContact O-C 3.51Å; L150-S153 WeakPolarHBondContact O-CA 3.43Å; L150-S153 WeakPolarHBondContact O-CB 3.39Å; L150-S153 PolarHBondContact O-N 2.93Å; L150-S153 VanDerWaalsContact O-O 3.08Å; L150-S153 PolarHBondContact O-OG 3.05Å; N151-S153 PolarHBondContact O-N 2.87Å; N151-S153 VanDerWaalsContact O-N 3.14Å; S153-Y155 PolarHBondContact O-N 2.7Å; S153-S175 WeakPolarHBondContact CA-O 3.41Å; S153-S175 WeakPolarHBondContact CB-O 3.32Å; S153-S175 VanDerWaalsContact OG-C 3.32Å; S153-S175 WeakPolarHBondContact OG-CA 3.45Å; S153-S175 WeakPolarHBondContact OG-CB 3.18Å; S153-S175 PolarHBondContact OG-N 3.41Å; S153-S175 PolarHBondContact OG-O 2.78Å; S153-H177 PolarHBondContact OG-CD2 2.81Å
154I44.1Very low57.1Low64 Ų6460.5 Ų60.533%0.32833%0.332SS..EExtended strand (participates in β ladder)trans-73.6118.7167.2-73.4171.1000107.9Y168 V169 S175 H177I154-Y168 WeakPolarHBondContact CD1-O 3.24Å; I154-V169 HydrophobicContact CB-CG2 3.76Å; I154-V169 HydrophobicContact CD1-CB 4.47Å; I154-V169 HydrophobicContact CD1-CG2 3.39Å; I154-V169 HydrophobicContact CG1-CG2 3.38Å; I154-S175 PolarHBondContact N-O 3.34Å; I154-H177 PolarHBondContact O-N 3.5Å
155Y48Very low55.4Low85 Ų8557.1 Ų57.133%0.33332%0.316SS..EExtended strand (participates in β ladder)trans-100.5116.7165.1-79.7-103.3000108.8L150 S153 H177 Y179L150-Y155 HydrophobicContact CB-CE2 3.67Å; L150-Y155 WeakPolarHBondContact CD1-OH 3.39Å; L150-Y155 HydrophobicContact CD2-CE2 4.44Å; L150-Y155 WeakPolarHBondContact CD2-OH 3.18Å; L150-Y155 HydrophobicContact CG-CE2 4.45Å; L150-Y155 WeakPolarHBondContact CG-OH 3.37Å; L150-Y155 WeakPolarHBondContact O-CE2 3.35Å; S153-Y155 PolarHBondContact O-N 2.7Å; Y155-H177 WeakPolarHBondContact CA-O 3.24Å; Y155-H177 HydrophobicContact CD1-CB 3.82Å; Y155-H177 WeakPolarHBondContact CD1-O 3.15Å; Y155-H177 HydrophobicContact CD2-CB 4.12Å; Y155-H177 HydrophobicContact CE1-CB 3.36Å; Y155-H177 HydrophobicContact CE2-CB 3.63Å; Y155-H177 AromaticContact CE2-CG 4Å; Y155-H177 HydrophobicContact CG-CB 4.19Å; Y155-H177 AromaticContact CZ-CD2 3.95Å; Y155-H177 AromaticContact CZ-CG 3.54Å; Y155-H177 WeakPolarHBondContact OH-CB 3.47Å; Y155-H177 PolarHBondContact OH-ND1 3.43Å; Y155-Y179 HydrophobicContact CD1-CD2 4.11Å; Y155-Y179 AromaticContact CD1-CE2 3.57Å; Y155-Y179 HydrophobicContact CD1-CE2 3.57Å; Y155-Y179 HydrophobicContact CE1-CD2 4.32Å; Y155-Y179 AromaticContact CE1-CE2 3.36Å; Y155-Y179 HydrophobicContact CE1-CE2 3.36Å
156S47.6Very low53.9Low29 Ų2961.5 Ų61.520%0.20333%0.332CS..EExtended strand (participates in β ladder)trans-120.4131.9165.900000107.5I165 S167 Y179S156-I165 WeakPolarHBondContact O-CD1 3.27Å; S156-I165 WeakPolarHBondContact OG-CG2 3.38Å; S156-S167 PolarHBondContact OG-OG 3.06Å; S156-Y179 PolarHBondContact O-N 2.95Å
157Y40.5Very low52.5Low79 Ų7960 Ų6031%0.3133%0.327SS..EExtended strand (participates in β ladder)trans-123.9125.6179.7179.9-109.1000107.6K106 N159 N181K106-Y157 WeakPolarHBondContact O-CE1 3.44Å; Y157-N159 HydrophobicContact CE1-CB 4.48Å; Y157-N159 WeakPolarHBondContact CE1-ND2 3.22Å; Y157-N159 VanDerWaalsContact CE1-OD1 3.28Å; Y157-N159 WeakPolarHBondContact CE1-OD1 3.48Å; Y157-N159 PolarHBondContact OH-ND2 3.47Å; Y157-N159 VanDerWaalsContact OH-ND2 3.14Å; Y157-N159 PolarHBondContact OH-OD1 2.85Å; Y157-N181 HydrophobicContact CE2-CB 4.39Å; Y157-N181 PolarHBondContact OH-ND2 2.93Å
158V44.6Very low50.9Low36 Ų3664.8 Ų64.822%0.21835%0.345CS..EExtended strand (participates in β ladder)trans-128.1119.8179.3176.60000108.8D160 I165V158-D160 HydrophobicContact CG1-CB 3.57Å; V158-I165 HydrophobicContact CB-CD1 3.96Å; V158-I165 HydrophobicContact CB-CG1 3.86Å; V158-I165 HydrophobicContact CG2-CD1 3.89Å; V158-I165 HydrophobicContact CG2-CG1 3.38Å
159N46Very low49.6Very low103 Ų10360.6 Ų60.655%0.55132%0.323SS*.  trans-101.930.9170.4-79-13.5000111.2Y157 N181Y157-N159 HydrophobicContact CE1-CB 4.48Å; Y157-N159 WeakPolarHBondContact CE1-ND2 3.22Å; Y157-N159 VanDerWaalsContact CE1-OD1 3.28Å; Y157-N159 WeakPolarHBondContact CE1-OD1 3.48Å; Y157-N159 PolarHBondContact OH-ND2 3.47Å; Y157-N159 VanDerWaalsContact OH-ND2 3.14Å; Y157-N159 PolarHBondContact OH-OD1 2.85Å; N159-N181 WeakPolarHBondContact OD1-CB 3.36Å
160D51.7Low48.7Very low87 Ų8761.4 Ų61.447%0.46533%0.327SS..  trans-98.7127.4174-173.9-29.7000108.5V158 N162 G163V158-D160 HydrophobicContact CG1-CB 3.57Å; D160-N162 PolarHBondContact O-N 3.16Å; D160-N162 PolarHBondContact OD1-N 3.31Å; D160-G163 PolarHBondContact O-N 2.89Å
161P47.8Very low48.2Very low76 Ų7666.1 Ų66.149%0.49435%0.352SS..THydrogen-bonded Turntrans-59.1-14.417922-33.3000115.5D182P161-D182 WeakPolarHBondContact CA-OD2 3.47Å
162N55Low47.9Very low135 Ų13568 Ų6872%0.72236%0.362SS*.THydrogen-bonded Turntrans-120.114.8170.6-65-48000112.8D160D160-N162 PolarHBondContact O-N 3.16Å; D160-N162 PolarHBondContact OD1-N 3.31Å
163G53.5Low48.3Very low9 Ų971.5 Ų71.59%0.09337%0.374CS..  trans-69.9131.8-174.600000113.2D160 G185D160-G163 PolarHBondContact O-N 2.89Å; G163-G185 VanDerWaalsContact O-CA 3.31Å; G163-G185 WeakPolarHBondContact O-CA 3.26Å
164S54.6Low48.5Very low61 Ų6171.1 Ų71.143%0.42737%0.371SS..EExtended strand (participates in β ladder)trans-112.3134.3168.9-65.30000109.8S186S164-S186 WeakPolarHBondContact CA-O 3.4Å
165I53.3Low48.7Very low3 Ų368.8 Ų68.82%0.01536%0.36CS..EExtended strand (participates in β ladder)trans-96.8116.6174.5-72.1168.1000108.5S156 V158 S167 S178 Y179 V180 S186 H188S156-I165 WeakPolarHBondContact O-CD1 3.27Å; S156-I165 WeakPolarHBondContact OG-CG2 3.38Å; V158-I165 HydrophobicContact CB-CD1 3.96Å; V158-I165 HydrophobicContact CB-CG1 3.86Å; V158-I165 HydrophobicContact CG2-CD1 3.89Å; V158-I165 HydrophobicContact CG2-CG1 3.38Å; I165-S167 VanDerWaalsContact CG2-OG 3.26Å; I165-S167 WeakPolarHBondContact CG2-OG 3.3Å; I165-S178 WeakPolarHBondContact CG2-OG 3.38Å; I165-Y179 WeakPolarHBondContact CD1-O 3.43Å; I165-V180 HydrophobicContact CD1-CG2 3.66Å; I165-V180 HydrophobicContact CG1-CG2 4.19Å; I165-S186 PolarHBondContact N-O 3.41Å; I165-H188 PolarHBondContact O-N 2.96Å
166H52.2Low48.6Very low136 Ų13664.8 Ų64.863%0.6335%0.345SS*.EExtended strand (participates in β ladder)trans-110.5112.5169.9-66.7-86.5000109.1H188H166-H188 WeakPolarHBondContact CA-O 3.35Å; H166-H188 AromaticContact CE1-CD2 3.44Å; H166-H188 PolarHBondContact CE1-CD2 3.47Å; H166-H188 VanDerWaalsContact CE1-CD2 3.44Å; H166-H188 AromaticContact CE1-CG 3.8Å; H166-H188 WeakPolarHBondContact ND1-CB 3.31Å
167S54.2Low48.6Very low5 Ų564.4 Ų64.44%0.03534%0.339CS..EExtended strand (participates in β ladder)trans-124.2134.3-177.3-52.60000109.5S156 I165 I176 S178 H188 Y190S156-S167 PolarHBondContact OG-OG 3.06Å; I165-S167 VanDerWaalsContact CG2-OG 3.26Å; I165-S167 WeakPolarHBondContact CG2-OG 3.3Å; S167-I176 VanDerWaalsContact CB-CG2 3.46Å; S167-I176 WeakPolarHBondContact O-CD1 3.48Å; S167-S178 PolarHBondContact OG-OG 2.83Å; S167-S178 VanDerWaalsContact OG-OG 3.12Å; S167-H188 PolarHBondContact N-O 3.28Å; S167-H188 VanDerWaalsContact N-O 3.15Å; S167-Y190 PolarHBondContact O-N 3.01Å; S167-Y190 VanDerWaalsContact O-N 3.12Å
168Y43.2Very low49.1Very low112 Ų11260.6 Ų60.644%0.43933%0.325SS..EExtended strand (participates in β ladder)trans-138.1112.2-176.1178.6-92.7000110.1I154 N170 Y190 N192I154-Y168 WeakPolarHBondContact CD1-O 3.24Å; Y168-N170 HydrophobicContact CE1-CB 3.83Å; Y168-N170 VanDerWaalsContact CE1-ND2 3.3Å; Y168-N170 WeakPolarHBondContact CE1-ND2 3.44Å; Y168-N170 VanDerWaalsContact CE1-OD1 3.25Å; Y168-N170 WeakPolarHBondContact CE1-OD1 2.71Å; Y168-N170 VanDerWaalsContact CZ-CG 3.49Å; Y168-N170 PolarHBondContact OH-ND2 2.79Å; Y168-N170 VanDerWaalsContact OH-ND2 3.12Å; Y168-N170 PolarHBondContact OH-OD1 2.74Å; Y168-Y190 AromaticContact CD2-CD1 3.71Å; Y168-Y190 HydrophobicContact CD2-CD1 3.71Å; Y168-Y190 AromaticContact CE2-CD1 3.54Å; Y168-Y190 HydrophobicContact CE2-CD1 3.54Å; Y168-Y190 AromaticContact CE2-CE1 3.9Å; Y168-Y190 HydrophobicContact CE2-CE1 3.9Å; Y168-N192 PolarHBondContact OH-ND2 3.06Å
169V44.7Very low49.3Very low7 Ų760.1 Ų60.14%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-110129.9177.6176.10000109.8I154 N171 I176 Y190 N192I154-V169 HydrophobicContact CB-CG2 3.76Å; I154-V169 HydrophobicContact CD1-CB 4.47Å; I154-V169 HydrophobicContact CD1-CG2 3.39Å; I154-V169 HydrophobicContact CG1-CG2 3.38Å; V169-N171 HydrophobicContact CG1-CB 4.17Å; V169-I176 HydrophobicContact CB-CD1 4.09Å; V169-I176 HydrophobicContact CB-CG1 3.96Å; V169-I176 HydrophobicContact CG2-CD1 3.91Å; V169-I176 HydrophobicContact CG2-CG1 3.47Å; V169-I176 VanDerWaalsContact CG2-CG1 3.47Å; V169-Y190 PolarHBondContact N-O 2.93Å; V169-N192 PolarHBondContact O-N 3.47Å
170N49Very low49.4Very low99 Ų9955.2 Ų55.253%0.52929%0.293SS..  trans-117.314.4-177.7-114.312.2000113.1Y168 N192Y168-N170 HydrophobicContact CE1-CB 3.83Å; Y168-N170 VanDerWaalsContact CE1-ND2 3.3Å; Y168-N170 WeakPolarHBondContact CE1-ND2 3.44Å; Y168-N170 VanDerWaalsContact CE1-OD1 3.25Å; Y168-N170 WeakPolarHBondContact CE1-OD1 2.71Å; Y168-N170 VanDerWaalsContact CZ-CG 3.49Å; Y168-N170 PolarHBondContact OH-ND2 2.79Å; Y168-N170 VanDerWaalsContact OH-ND2 3.12Å; Y168-N170 PolarHBondContact OH-OD1 2.74Å; N170-N192 WeakPolarHBondContact OD1-CB 3.28Å
171N48.1Very low49.3Very low110 Ų11053.1 Ų53.159%0.58828%0.282SS*.SBendtrans-100.7144.1-175.6-64.6-11.6000110.6V169 N173 G174V169-N171 HydrophobicContact CG1-CB 4.17Å; N171-N173 PolarHBondContact O-N 3.26Å; N171-G174 PolarHBondContact O-N 3.25Å; N171-G174 VanDerWaalsContact O-N 3.13Å
172L43.1Very low49.8Very low153 Ų15350.9 Ų50.980%0.80127%0.266SS*.THydrogen-bonded Turntrans-56.6123.9169.2-80.2153000109.7G174L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 2.86Å
173N49.2Very low49.8Very low103 Ų10349 Ų4955%0.55126%0.261SS*.THydrogen-bonded Turntrans65.722.2-176.8-56.4-19.4000115.7N171 D193 N195N171-N173 PolarHBondContact O-N 3.26Å; N173-D193 PolarHBondContact N-OD2 3.31Å; N173-N195 WeakPolarHBondContact OD1-CB 3.39Å
174G47.6Very low50Low1 Ų154.5 Ų54.51%0.0129%0.288CS..  trans-82.9133.1173.200000112.1G152 N171 L172 G196G152-G174 WeakPolarHBondContact O-CA 3.4Å; N171-G174 PolarHBondContact O-N 3.25Å; N171-G174 VanDerWaalsContact O-N 3.13Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 2.86Å; G174-G196 WeakPolarHBondContact O-CA 3.38Å
175S48.8Very low50Low16 Ų1651.7 Ų51.711%0.11227%0.269CS..  trans-100.4174.5172.2-68.40000110.5S153 I154 S197S153-S175 WeakPolarHBondContact CA-O 3.41Å; S153-S175 WeakPolarHBondContact CB-O 3.32Å; S153-S175 VanDerWaalsContact OG-C 3.32Å; S153-S175 WeakPolarHBondContact OG-CA 3.45Å; S153-S175 WeakPolarHBondContact OG-CB 3.18Å; S153-S175 PolarHBondContact OG-N 3.41Å; S153-S175 PolarHBondContact OG-O 2.78Å; I154-S175 PolarHBondContact N-O 3.34Å; S175-S197 CarbonylContact C-O 3.56Å; S175-S197 WeakPolarHBondContact CA-O 3.42Å; S175-S197 WeakPolarHBondContact CB-O 3.48Å; S175-S197 PolarHBondContact OG-N 3.38Å; S175-S197 PolarHBondContact OG-O 3.41Å; S175-S197 PolarHBondContact OG-OG 3.28Å
176I45.8Very low50.1Low0 Ų054 Ų540%029%0.285CS..EExtended strand (participates in β ladder)trans-130.1128170.7-67.6176.9000108.2S167 V169 S178 S189 Y190 V191 S197 H199S167-I176 VanDerWaalsContact CB-CG2 3.46Å; S167-I176 WeakPolarHBondContact O-CD1 3.48Å; V169-I176 HydrophobicContact CB-CD1 4.09Å; V169-I176 HydrophobicContact CB-CG1 3.96Å; V169-I176 HydrophobicContact CG2-CD1 3.91Å; V169-I176 HydrophobicContact CG2-CG1 3.47Å; V169-I176 VanDerWaalsContact CG2-CG1 3.47Å; I176-S178 WeakPolarHBondContact CG2-OG 3.46Å; I176-S189 WeakPolarHBondContact CG2-OG 3.07Å; I176-Y190 WeakPolarHBondContact CD1-O 3.24Å; I176-V191 HydrophobicContact CB-CG2 4.13Å; I176-V191 HydrophobicContact CD1-CG2 3.61Å; I176-V191 HydrophobicContact CG1-CG2 3.61Å; I176-S197 PolarHBondContact N-O 2.98Å; I176-H199 CarbonylContact O-C 3.46Å; I176-H199 PolarHBondContact O-N 2.87Å
177H48.9Very low50.1Low21 Ų2149.3 Ų49.310%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-125.492.3-179.6-72.9-100000108.9S153 I154 Y155 Y179 H199S153-H177 PolarHBondContact OG-CD2 2.81Å; I154-H177 PolarHBondContact O-N 3.5Å; Y155-H177 WeakPolarHBondContact CA-O 3.24Å; Y155-H177 HydrophobicContact CD1-CB 3.82Å; Y155-H177 WeakPolarHBondContact CD1-O 3.15Å; Y155-H177 HydrophobicContact CD2-CB 4.12Å; Y155-H177 HydrophobicContact CE1-CB 3.36Å; Y155-H177 HydrophobicContact CE2-CB 3.63Å; Y155-H177 AromaticContact CE2-CG 4Å; Y155-H177 HydrophobicContact CG-CB 4.19Å; Y155-H177 AromaticContact CZ-CD2 3.95Å; Y155-H177 AromaticContact CZ-CG 3.54Å; Y155-H177 WeakPolarHBondContact OH-CB 3.47Å; Y155-H177 PolarHBondContact OH-ND1 3.43Å; H177-Y179 HydrophobicContact CB-CE2 3.8Å; H177-H199 WeakPolarHBondContact CA-O 3.23Å; H177-H199 VanDerWaalsContact CE1-CB 3.43Å; H177-H199 WeakPolarHBondContact CE1-CB 3.44Å; H177-H199 AromaticContact CE1-CD2 3.73Å; H177-H199 AromaticContact CE1-CG 3.85Å; H177-H199 WeakPolarHBondContact ND1-CB 3.39Å; H177-H199 AromaticContact NE2-CD2 3.93Å
178S49.2Very low50.2Low0 Ų054.3 Ų54.30%029%0.287CS..EExtended strand (participates in β ladder)trans-102.6133.6-178.5-63.70000109.5I165 S167 I176 I187 S189I165-S178 WeakPolarHBondContact CG2-OG 3.38Å; S167-S178 PolarHBondContact OG-OG 2.83Å; S167-S178 VanDerWaalsContact OG-OG 3.12Å; I176-S178 WeakPolarHBondContact CG2-OG 3.46Å; S178-I187 WeakPolarHBondContact O-CD1 3.09Å; S178-S189 PolarHBondContact OG-OG 2.87Å
179Y48.7Very low50.8Low25 Ų2550.2 Ų50.210%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-127.7119.9-178.9-59.1-96.3000109.6Y155 S156 I165 H177 S201Y155-Y179 HydrophobicContact CD1-CD2 4.11Å; Y155-Y179 AromaticContact CD1-CE2 3.57Å; Y155-Y179 HydrophobicContact CD1-CE2 3.57Å; Y155-Y179 HydrophobicContact CE1-CD2 4.32Å; Y155-Y179 AromaticContact CE1-CE2 3.36Å; Y155-Y179 HydrophobicContact CE1-CE2 3.36Å; S156-Y179 PolarHBondContact O-N 2.95Å; I165-Y179 WeakPolarHBondContact CD1-O 3.43Å; H177-Y179 HydrophobicContact CB-CE2 3.8Å; Y179-S201 WeakPolarHBondContact CE1-OG 3.25Å
180V48.2Very low50.9Low1 Ų156.1 Ų56.11%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-110.1121.9173.7164.60000107.6I165 D182 G185 I187 M202I165-V180 HydrophobicContact CD1-CG2 3.66Å; I165-V180 HydrophobicContact CG1-CG2 4.19Å; V180-D182 VanDerWaalsContact C-N 3.34Å; V180-D182 HydrophobicContact CG1-CB 4.19Å; V180-D182 WeakPolarHBondContact CG1-O 3.46Å; V180-D182 PolarHBondContact O-N 2.92Å; V180-G185 VanDerWaalsContact CG1-CA 3.5Å; V180-I187 HydrophobicContact CB-CD1 4.21Å; V180-I187 HydrophobicContact CB-CG1 4.11Å; V180-I187 HydrophobicContact CG2-CD1 4.05Å; V180-I187 HydrophobicContact CG2-CG1 3.44Å; V180-I187 VanDerWaalsContact CG2-CG1 3.44Å; V180-M202 HydrophobicContact CG1-CE 4.19Å
181N50.1Low50.9Low42 Ų4252.4 Ų52.423%0.22528%0.278CS..  trans-98.451.5173.8-82.63.5000110.8Y157 N159Y157-N181 HydrophobicContact CE2-CB 4.39Å; Y157-N181 PolarHBondContact OH-ND2 2.93Å; N159-N181 WeakPolarHBondContact OD1-CB 3.36Å
182D58.3Low51Low29 Ų2951 Ų5116%0.15527%0.271CS..SBendtrans-153.4140.1176.1-168.9-84000111.4P161 V180 N184 G185P161-D182 WeakPolarHBondContact CA-OD2 3.47Å; V180-D182 VanDerWaalsContact C-N 3.34Å; V180-D182 HydrophobicContact CG1-CB 4.19Å; V180-D182 WeakPolarHBondContact CG1-O 3.46Å; V180-D182 PolarHBondContact O-N 2.92Å; D182-N184 PolarHBondContact O-N 3.1Å; D182-N184 WeakPolarHBondContact OD1-CA 3.41Å; D182-N184 WeakPolarHBondContact OD1-CB 3.32Å; D182-N184 PolarHBondContact OD1-N 2.82Å; D182-G185 PolarHBondContact O-N 2.78Å; D182-G185 PolarHBondContact OD1-N 2.83Å
183P55.6Low51.7Low96 Ų9644.9 Ų44.962%0.62324%0.239SC*.SBendtrans-59.6-28.4177.3-20.430.4000114.9
184N57Low51.9Low124 Ų12446.1 Ų46.166%0.66325%0.253SS*.SBendtrans-101.7-13.2-175.9-62.1-31.1000113.2D182D182-N184 PolarHBondContact O-N 3.1Å; D182-N184 WeakPolarHBondContact OD1-CA 3.41Å; D182-N184 WeakPolarHBondContact OD1-CB 3.32Å; D182-N184 PolarHBondContact OD1-N 2.82Å
185G55Low52Low3 Ų351.8 Ų51.83%0.03128%0.283CS..  trans-66.9146.6178.100000111.1G163 V180 D182 M202G163-G185 VanDerWaalsContact O-CA 3.31Å; G163-G185 WeakPolarHBondContact O-CA 3.26Å; V180-G185 VanDerWaalsContact CG1-CA 3.5Å; D182-G185 PolarHBondContact O-N 2.78Å; D182-G185 PolarHBondContact OD1-N 2.83Å; G185-M202 WeakPolarHBondContact O-CE 3.3Å
186S54.7Low51.8Low51 Ų5152 Ų5236%0.35729%0.288SS..EExtended strand (participates in β ladder)trans-118139.6-176.9-68.60000110.8S164 I165S164-S186 WeakPolarHBondContact CA-O 3.4Å; I165-S186 PolarHBondContact N-O 3.41Å
187I53.7Low51.8Low38 Ų3854.2 Ų54.220%0.19530%0.303CS..EExtended strand (participates in β ladder)trans-106.4118.1174.5-64.2168.1000108.3S178 V180 S189S178-I187 WeakPolarHBondContact O-CD1 3.09Å; V180-I187 HydrophobicContact CB-CD1 4.21Å; V180-I187 HydrophobicContact CB-CG1 4.11Å; V180-I187 HydrophobicContact CG2-CD1 4.05Å; V180-I187 HydrophobicContact CG2-CG1 3.44Å; V180-I187 VanDerWaalsContact CG2-CG1 3.44Å; I187-S189 VanDerWaalsContact CG2-OG 3.29Å; I187-S189 WeakPolarHBondContact CG2-OG 3.11Å
188H54.9Low51.5Low110 Ų11056.8 Ų56.851%0.50932%0.317SS..EExtended strand (participates in β ladder)trans-116.698.7169.6-66.6-69.3000108.6I165 H166 S167I165-H188 PolarHBondContact O-N 2.96Å; H166-H188 WeakPolarHBondContact CA-O 3.35Å; H166-H188 AromaticContact CE1-CD2 3.44Å; H166-H188 PolarHBondContact CE1-CD2 3.47Å; H166-H188 VanDerWaalsContact CE1-CD2 3.44Å; H166-H188 AromaticContact CE1-CG 3.8Å; H166-H188 WeakPolarHBondContact ND1-CB 3.31Å; S167-H188 PolarHBondContact N-O 3.28Å; S167-H188 VanDerWaalsContact N-O 3.15Å
189S56.7Low51.4Low26 Ų2661.8 Ų61.818%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-113.6136.5-179.5-63.70000109.6I176 S178 I187I176-S189 WeakPolarHBondContact CG2-OG 3.07Å; S178-S189 PolarHBondContact OG-OG 2.87Å; I187-S189 VanDerWaalsContact CG2-OG 3.29Å; I187-S189 WeakPolarHBondContact CG2-OG 3.11Å
190Y47.3Very low51.1Low130 Ų13063.8 Ų63.851%0.5136%0.357SS..EExtended strand (participates in β ladder)trans-138.4124.1178.3-177.3-104.1000110.3S167 Y168 V169 I176 N192S167-Y190 PolarHBondContact O-N 3.01Å; S167-Y190 VanDerWaalsContact O-N 3.12Å; Y168-Y190 AromaticContact CD2-CD1 3.71Å; Y168-Y190 HydrophobicContact CD2-CD1 3.71Å; Y168-Y190 AromaticContact CE2-CD1 3.54Å; Y168-Y190 HydrophobicContact CE2-CD1 3.54Å; Y168-Y190 AromaticContact CE2-CE1 3.9Å; Y168-Y190 HydrophobicContact CE2-CE1 3.9Å; V169-Y190 PolarHBondContact N-O 2.93Å; I176-Y190 WeakPolarHBondContact CD1-O 3.24Å; Y190-N192 HydrophobicContact CE1-CB 4.1Å; Y190-N192 WeakPolarHBondContact CE1-ND2 3.4Å; Y190-N192 WeakPolarHBondContact CE1-OD1 3.12Å; Y190-N192 PolarHBondContact OH-OD1 2.89Å
191V47.2Very low50.9Low22 Ų2265.8 Ų65.813%0.13337%0.371CS..EExtended strand (participates in β ladder)trans-112.5124.6178.4172.30000107.9I176 D193 I198I176-V191 HydrophobicContact CB-CG2 4.13Å; I176-V191 HydrophobicContact CD1-CG2 3.61Å; I176-V191 HydrophobicContact CG1-CG2 3.61Å; V191-D193 HydrophobicContact CG1-CB 4.2Å; V191-D193 PolarHBondContact O-N 3.34Å; V191-I198 HydrophobicContact CB-CD1 4.25Å; V191-I198 HydrophobicContact CB-CG1 3.97Å; V191-I198 HydrophobicContact CG2-CD1 4.13Å; V191-I198 HydrophobicContact CG2-CG1 3.44Å; V191-I198 VanDerWaalsContact CG2-CG1 3.44Å
192N50.3Low50.3Low81 Ų8168.7 Ų68.743%0.43339%0.385SS..  trans-100.842.9-176.7-116.9-7.4000111.8Y168 V169 N170 Y190Y168-N192 PolarHBondContact OH-ND2 3.06Å; V169-N192 PolarHBondContact O-N 3.47Å; N170-N192 WeakPolarHBondContact OD1-CB 3.28Å; Y190-N192 HydrophobicContact CE1-CB 4.1Å; Y190-N192 WeakPolarHBondContact CE1-ND2 3.4Å; Y190-N192 WeakPolarHBondContact CE1-OD1 3.12Å; Y190-N192 PolarHBondContact OH-OD1 2.89Å
193D57.7Low49.9Very low24 Ų2470.7 Ų70.713%0.12840%0.396CS..  trans-144.7130-178.4-178.921.7000111.1N173 V191 N195 G196N173-D193 PolarHBondContact N-OD2 3.31Å; V191-D193 HydrophobicContact CG1-CB 4.2Å; V191-D193 PolarHBondContact O-N 3.34Å; D193-N195 PolarHBondContact O-N 2.9Å; D193-N195 PolarHBondContact OD1-N 2.85Å; D193-G196 PolarHBondContact O-N 3.04Å; D193-G196 PolarHBondContact OD2-N 3.49Å
194P54.4Low49.9Very low129 Ų12970.6 Ų70.684%0.83839%0.387SS*.THydrogen-bonded Turntrans-60.1-22.817520.5-33.9000115.2
195N50Low50.6Low120 Ų12070 Ų7064%0.64238%0.384SS*.THydrogen-bonded Turntrans-95.7-12.4176.6-71.1-15.7000113.8N173 D193N173-N195 WeakPolarHBondContact OD1-CB 3.39Å; D193-N195 PolarHBondContact O-N 2.9Å; D193-N195 PolarHBondContact OD1-N 2.85Å
196G45Very low51.8Low21 Ų2171.3 Ų71.322%0.21639%0.388CS..  trans-77.5148.4-179.200000111.5G174 D193G174-G196 WeakPolarHBondContact O-CA 3.38Å; D193-G196 PolarHBondContact O-N 3.04Å; D193-G196 PolarHBondContact OD2-N 3.49Å
197S45.9Very low53.3Low45 Ų4570.9 Ų70.932%0.31538%0.382SS..  trans-118.1145.6178.464.80000111.7S175 I176 H199S175-S197 CarbonylContact C-O 3.56Å; S175-S197 WeakPolarHBondContact CA-O 3.42Å; S175-S197 WeakPolarHBondContact CB-O 3.48Å; S175-S197 PolarHBondContact OG-N 3.38Å; S175-S197 PolarHBondContact OG-O 3.41Å; S175-S197 PolarHBondContact OG-OG 3.28Å; I176-S197 PolarHBondContact N-O 2.98Å; S197-H199 PolarHBondContact OG-CD2 3.24Å; S197-H199 PolarHBondContact OG-NE2 3.31Å
198I42.3Very low55.1Low76 Ų7669.8 Ų69.839%0.3938%0.377SS..BIsolated β-bridgetrans-104.4118.4171.9-61.6168.5000107.7V191V191-I198 HydrophobicContact CB-CD1 4.25Å; V191-I198 HydrophobicContact CB-CG1 3.97Å; V191-I198 HydrophobicContact CG2-CD1 4.13Å; V191-I198 HydrophobicContact CG2-CG1 3.44Å; V191-I198 VanDerWaalsContact CG2-CG1 3.44Å
199H46.6Very low57Low104 Ų10465.9 Ų65.948%0.48136%0.36SS..  trans-118.781.4172.7-72.6-68.1000108.8I176 H177 S197I176-H199 CarbonylContact O-C 3.46Å; I176-H199 PolarHBondContact O-N 2.87Å; H177-H199 WeakPolarHBondContact CA-O 3.23Å; H177-H199 VanDerWaalsContact CE1-CB 3.43Å; H177-H199 WeakPolarHBondContact CE1-CB 3.44Å; H177-H199 AromaticContact CE1-CD2 3.73Å; H177-H199 AromaticContact CE1-CG 3.85Å; H177-H199 WeakPolarHBondContact ND1-CB 3.39Å; H177-H199 AromaticContact NE2-CD2 3.93Å; S197-H199 PolarHBondContact OG-CD2 3.24Å; S197-H199 PolarHBondContact OG-NE2 3.31Å
200S42.4Very low58.6Low67 Ų6765.8 Ų65.847%0.46936%0.357SS..  trans-87.8106.5167.651.40000108.7
201S43.1Very low60.7Low43 Ų4359.7 Ų59.730%0.30133%0.333SS..  trans-108.7113.2168.866.90000109.3Y179 N203Y179-S201 WeakPolarHBondContact CE1-OG 3.25Å; S201-N203 PolarHBondContact O-N 2.87Å
202M38.2Very low63Low103 Ų10358.6 Ų58.651%0.50733%0.327SS..  trans-77.169.6162.3-159.8-179-122.400107.1V180 G185V180-M202 HydrophobicContact CG1-CE 4.19Å; G185-M202 WeakPolarHBondContact O-CE 3.3Å
203N50.7Low65Low72 Ų7255.1 Ų55.139%0.38531%0.309SS..  trans-114.698.8176-165.4-3.7000108.1S201 D205 Y206S201-N203 PolarHBondContact O-N 2.87Å; N203-D205 PolarHBondContact O-N 3.39Å; N203-D205 PolarHBondContact OD1-N 3.44Å; N203-Y206 PolarHBondContact O-N 3.09Å
204Q55Low66.6Low94 Ų9456.2 Ų56.244%0.43931%0.314SS..THydrogen-bonded Turntrans-57.1-16.2179.5-66.3177.8-13.100112.2K106K106-Q204 PolarHBondContact NZ-O 3.27Å
205D72.1Confident68.4Low112 Ų11250 Ų5060%0.59927%0.274SS*.THydrogen-bonded Turntrans-105.6-0.4-169.6-59.6-31.3000114.8N203 D207N203-D205 PolarHBondContact O-N 3.39Å; N203-D205 PolarHBondContact OD1-N 3.44Å; D205-D207 PolarHBondContact O-N 3.49Å
206Y79.8Confident70.5Confident29 Ų2944.3 Ų44.311%0.11424%0.244CC..  trans-61123.2178.7-165.2-87.1000111.2F104 K106 N203 D210 F211 D214F104-Y206 HydrophobicContact CD1-CD1 4.04Å; F104-Y206 HydrophobicContact CD1-CE1 4.1Å; F104-Y206 HydrophobicContact CD2-CE1 4.24Å; F104-Y206 AromaticContact CE1-CD1 3.67Å; F104-Y206 HydrophobicContact CE1-CD1 3.67Å; F104-Y206 HydrophobicContact CE1-CE1 4.13Å; F104-Y206 HydrophobicContact CE2-CD1 4.29Å; F104-Y206 HydrophobicContact CE2-CE1 4.25Å; F104-Y206 HydrophobicContact CG-CE1 4.16Å; F104-Y206 AromaticContact CZ-CD1 3.8Å; F104-Y206 HydrophobicContact CZ-CD1 3.8Å; F104-Y206 HydrophobicContact CZ-CE1 4.2Å; K106-Y206 WeakPolarHBondContact CE-O 3.49Å; N203-Y206 PolarHBondContact O-N 3.09Å; Y206-D210 VanDerWaalsContact CA-OD2 3.28Å; Y206-D210 WeakPolarHBondContact CA-OD2 3.29Å; Y206-D210 HydrophobicContact CD1-CB 4.4Å; Y206-D210 HydrophobicContact CD2-CB 3.49Å; Y206-D210 VanDerWaalsContact CD2-CB 3.49Å; Y206-D210 HydrophobicContact CE1-CB 4.27Å; Y206-D210 HydrophobicContact CE2-CB 3.34Å; Y206-D210 HydrophobicContact CG-CB 4.05Å; Y206-F211 HydrophobicContact CE1-CB 4.29Å; Y206-F211 VanDerWaalsContact OH-CA 3.24Å; Y206-F211 WeakPolarHBondContact OH-CA 3.42Å; Y206-F211 PolarHBondContact OH-N 3.25Å; Y206-D214 WeakPolarHBondContact CE2-OD2 2.99Å; Y206-D214 PolarHBondContact OH-OD2 2.83Å
207D86.4Confident72.8Confident43 Ų4346.1 Ų46.123%0.2325%0.246CC..  trans-137.8-172.5-176.269.921.3000113.1D205 L209 D210 F211 R227D205-D207 PolarHBondContact O-N 3.49Å; D207-L209 PolarHBondContact O-N 2.87Å; D207-L209 WeakPolarHBondContact OD1-CA 3.36Å; D207-L209 VanDerWaalsContact OD1-CB 3.3Å; D207-L209 WeakPolarHBondContact OD1-CB 3.37Å; D207-L209 PolarHBondContact OD1-N 3.14Å; D207-D210 PolarHBondContact N-OD2 3.47Å; D207-D210 PolarHBondContact O-N 3.24Å; D207-D210 PolarHBondContact OD1-N 3.5Å; D207-F211 PolarHBondContact O-N 3.34Å; D207-R227 VanDerWaalsContact CG-NH1 3.32Å; D207-R227 IonicContact OD1-CZ 2.82Å; D207-R227 IonicContact OD1-NH1 2.79Å; D207-R227 PolarHBondContact OD1-NH1 2.79Å; D207-R227 IonicContact OD1-NH2 3.63Å; D207-R227 IonicContact OD2-CZ 3.83Å; D207-R227 IonicContact OD2-NH1 3.77Å; D207-R227 PolarHBondContact OD2-NH1 2.77Å; D207-R227 IonicContact OD2-NH2 2.68Å; D207-R227 PolarHBondContact OD2-NH2 3.33Å
208C91.4Very high74.9Confident15 Ų1549.5 Ų49.510%0.10125%0.252CS..Hα-helixtrans-58.2-31.4179.865.40000113.6H91 C92 F104 V212H91-C208 WeakPolarHBondContact ND1-CB 3.48Å; C92-C208 VanDerWaalsContact SG-C 3.57Å; C92-C208 PolarHBondContact SG-O 3.37Å; F104-C208 VanDerWaalsContact O-CB 3.29Å; F104-C208 WeakPolarHBondContact O-CB 3.46Å; C208-V212 WeakPolarHBondContact O-CG2 2.87Å; C208-V212 PolarHBondContact O-N 3.29Å; C208-V212 VanDerWaalsContact O-N 3.15Å
209L94.4Very high77.2Confident27 Ų2746.6 Ų46.614%0.14124%0.24CC..Hα-helixtrans-74.2-37.3-179.6-176.861.5000110.7F72 D207 F211 V212 V213 R227 I230F72-L209 HydrophobicContact CE1-CD1 4.38Å; D207-L209 PolarHBondContact O-N 2.87Å; D207-L209 WeakPolarHBondContact OD1-CA 3.36Å; D207-L209 VanDerWaalsContact OD1-CB 3.3Å; D207-L209 WeakPolarHBondContact OD1-CB 3.37Å; D207-L209 PolarHBondContact OD1-N 3.14Å; L209-F211 VanDerWaalsContact C-N 3.32Å; L209-F211 PolarHBondContact O-N 3.46Å; L209-V212 PolarHBondContact O-N 3.47Å; L209-V213 VanDerWaalsContact O-CG2 3.31Å; L209-V213 WeakPolarHBondContact O-CG2 3.34Å; L209-V213 PolarHBondContact O-N 2.83Å; L209-R227 HydrophobicContact CD2-CB 3.97Å; L209-R227 HydrophobicContact CD2-CG 4.04Å; L209-R227 HydrophobicContact CG-CG 4.24Å; L209-I230 HydrophobicContact CD1-CB 4.16Å; L209-I230 HydrophobicContact CD1-CD1 4.39Å; L209-I230 HydrophobicContact CD1-CG2 3.72Å
210D90.8Very high79.3Confident25 Ų2543.2 Ų43.213%0.13423%0.225CC..Hα-helixtrans-62.5-42.3174.1-59.3-54000111.3Y206 D207 V212 V213 D214 R227Y206-D210 VanDerWaalsContact CA-OD2 3.28Å; Y206-D210 WeakPolarHBondContact CA-OD2 3.29Å; Y206-D210 HydrophobicContact CD1-CB 4.4Å; Y206-D210 HydrophobicContact CD2-CB 3.49Å; Y206-D210 VanDerWaalsContact CD2-CB 3.49Å; Y206-D210 HydrophobicContact CE1-CB 4.27Å; Y206-D210 HydrophobicContact CE2-CB 3.34Å; Y206-D210 HydrophobicContact CG-CB 4.05Å; D207-D210 PolarHBondContact N-OD2 3.47Å; D207-D210 PolarHBondContact O-N 3.24Å; D207-D210 PolarHBondContact OD1-N 3.5Å; D210-V212 VanDerWaalsContact C-N 3.32Å; D210-V212 PolarHBondContact O-N 3.47Å; D210-V213 WeakPolarHBondContact O-CB 3.2Å; D210-V213 PolarHBondContact O-N 3.4Å; D210-V213 VanDerWaalsContact O-N 3.14Å; D210-D214 VanDerWaalsContact O-CG 3.24Å; D210-D214 PolarHBondContact O-N 3.45Å; D210-R227 WeakPolarHBondContact OD1-CD 3.1Å; D210-R227 IonicContact OD1-CZ 3.33Å; D210-R227 IonicContact OD1-NH1 2.78Å; D210-R227 PolarHBondContact OD1-NH1 2.68Å; D210-R227 IonicContact OD2-NH1 3.13Å; D210-R227 PolarHBondContact OD2-NH1 2.84Å
211F90.2Very high81.3Confident1 Ų146.4 Ų46.40%0.00424%0.237CC..Hα-helixtrans-56.2-46173.3170.6-103.6000112.4V94 Y102 F104 I110 Y146 Y206 D207 L209 D214 I215V94-F211 HydrophobicContact CG2-CE1 4.04Å; V94-F211 HydrophobicContact CG2-CZ 4.29Å; Y102-F211 WeakPolarHBondContact O-CE1 3.25Å; F104-F211 HydrophobicContact CB-CB 3.6Å; F104-F211 HydrophobicContact CB-CD1 4.22Å; F104-F211 HydrophobicContact CB-CD2 4.37Å; F104-F211 HydrophobicContact CB-CG 3.8Å; F104-F211 HydrophobicContact CG-CB 4.39Å; I110-F211 HydrophobicContact CD1-CD2 4.11Å; I110-F211 HydrophobicContact CD1-CE2 3.68Å; I110-F211 HydrophobicContact CG1-CD2 4.26Å; I110-F211 HydrophobicContact CG1-CE2 4.02Å; I110-F211 HydrophobicContact CG2-CE2 4.49Å; I110-F211 HydrophobicContact CG2-CZ 4.41Å; Y146-F211 HydrophobicContact CD1-CE2 4.22Å; Y146-F211 HydrophobicContact CE1-CD2 4.14Å; Y146-F211 HydrophobicContact CE1-CE2 4.01Å; Y206-F211 HydrophobicContact CE1-CB 4.29Å; Y206-F211 VanDerWaalsContact OH-CA 3.24Å; Y206-F211 WeakPolarHBondContact OH-CA 3.42Å; Y206-F211 PolarHBondContact OH-N 3.25Å; D207-F211 PolarHBondContact O-N 3.34Å; L209-F211 VanDerWaalsContact C-N 3.32Å; L209-F211 PolarHBondContact O-N 3.46Å; F211-D214 PolarHBondContact O-N 2.91Å; F211-I215 HydrophobicContact CD2-CG1 4.43Å; F211-I215 HydrophobicContact CE1-CG1 4.34Å; F211-I215 HydrophobicContact CE2-CD1 4.11Å; F211-I215 HydrophobicContact CE2-CG1 3.98Å; F211-I215 HydrophobicContact CZ-CD1 4.13Å; F211-I215 HydrophobicContact CZ-CG1 3.93Å; F211-I215 WeakPolarHBondContact O-CG1 3.16Å; F211-I215 PolarHBondContact O-N 2.91Å; F211-I215 VanDerWaalsContact O-N 3.12Å
212V95.7Very high83.2Confident0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-64.6-41.9176.3173.80000111.4I70 C92 V94 C208 L209 D210 D214 I215 I216 I230I70-V212 HydrophobicContact CB-CG1 4.24Å; I70-V212 HydrophobicContact CD1-CG1 4.12Å; I70-V212 HydrophobicContact CG2-CG1 3.75Å; C92-V212 HydrophobicContact CB-CG2 4.43Å; V94-V212 HydrophobicContact CG1-CB 4.42Å; V94-V212 HydrophobicContact CG1-CG1 4.26Å; V94-V212 HydrophobicContact CG1-CG2 4.03Å; C208-V212 WeakPolarHBondContact O-CG2 2.87Å; C208-V212 PolarHBondContact O-N 3.29Å; C208-V212 VanDerWaalsContact O-N 3.15Å; L209-V212 PolarHBondContact O-N 3.47Å; D210-V212 VanDerWaalsContact C-N 3.32Å; D210-V212 PolarHBondContact O-N 3.47Å; V212-D214 VanDerWaalsContact C-N 3.34Å; V212-D214 PolarHBondContact O-N 2.76Å; V212-I215 PolarHBondContact O-N 2.88Å; V212-I216 HydrophobicContact CG1-CD1 3.88Å; V212-I216 HydrophobicContact CG1-CG1 4.49Å; V212-I216 VanDerWaalsContact O-CG1 3.32Å; V212-I216 WeakPolarHBondContact O-CG1 3.2Å; V212-I216 PolarHBondContact O-N 3Å; V212-I216 VanDerWaalsContact O-N 3.09Å; V212-I230 HydrophobicContact CG1-CD1 4.04Å
213V94Very high85.2Confident8 Ų847.5 Ų47.55%0.04824%0.237CC..Hα-helixtrans-57.1-48.3175.2168.60000110.5L209 D210 I215 I216 K217 R227 I230L209-V213 VanDerWaalsContact O-CG2 3.31Å; L209-V213 WeakPolarHBondContact O-CG2 3.34Å; L209-V213 PolarHBondContact O-N 2.83Å; D210-V213 WeakPolarHBondContact O-CB 3.2Å; D210-V213 PolarHBondContact O-N 3.4Å; D210-V213 VanDerWaalsContact O-N 3.14Å; V213-I215 PolarHBondContact O-N 2.76Å; V213-I216 PolarHBondContact O-N 2.87Å; V213-K217 HydrophobicContact CG1-CD 4.07Å; V213-K217 HydrophobicContact CG1-CG 4.26Å; V213-K217 WeakPolarHBondContact O-CB 3.31Å; V213-K217 WeakPolarHBondContact O-CG 3.5Å; V213-K217 PolarHBondContact O-N 3.2Å; V213-R227 HydrophobicContact CG2-CG 4.26Å; V213-I230 HydrophobicContact CB-CD1 4.29Å; V213-I230 HydrophobicContact CG2-CD1 3.45Å; V213-I230 VanDerWaalsContact CG2-CD1 3.45Å; V213-I230 HydrophobicContact CG2-CG1 4.34Å
214D90.2Very high87Confident46 Ų4650.4 Ų50.425%0.24625%0.248CC..Hα-helixtrans-63.3-44.3-176.5-67.5-26.4000111.7Y146 Y206 D210 F211 V212 I216 K217 Y218Y146-D214 HydrophobicContact CE1-CB 4.42Å; Y146-D214 HydrophobicContact CE2-CB 4Å; Y146-D214 WeakPolarHBondContact OH-CB 3.01Å; Y146-D214 PolarHBondContact OH-OD2 3.23Å; Y206-D214 WeakPolarHBondContact CE2-OD2 2.99Å; Y206-D214 PolarHBondContact OH-OD2 2.83Å; D210-D214 VanDerWaalsContact O-CG 3.24Å; D210-D214 PolarHBondContact O-N 3.45Å; F211-D214 PolarHBondContact O-N 2.91Å; V212-D214 VanDerWaalsContact C-N 3.34Å; V212-D214 PolarHBondContact O-N 2.76Å; D214-I216 VanDerWaalsContact C-N 3.34Å; D214-I216 PolarHBondContact O-N 3.13Å; D214-K217 PolarHBondContact O-N 2.91Å; D214-Y218 VanDerWaalsContact O-CB 3.26Å; D214-Y218 WeakPolarHBondContact O-CB 3.12Å; D214-Y218 PolarHBondContact O-N 3.4Å
215I91.9Very high88.7Confident0 Ų045.9 Ų45.90%023%0.228CC..Hα-helixtrans-59.5-45.8176.1-65.8-77.6000110.8V94 W139 T142 I143 Y146 F211 V212 V213 Y218 A219V94-I215 HydrophobicContact CB-CG2 4.44Å; V94-I215 HydrophobicContact CG1-CB 4.01Å; V94-I215 HydrophobicContact CG1-CG1 4.2Å; V94-I215 HydrophobicContact CG1-CG2 3.89Å; V94-I215 HydrophobicContact CG2-CG1 4.4Å; V94-I215 HydrophobicContact CG2-CG2 4.39Å; W139-I215 HydrophobicContact CH2-CG2 3.69Å; W139-I215 HydrophobicContact CZ2-CG2 4.3Å; W139-I215 HydrophobicContact CZ3-CG2 3.91Å; T142-I215 HydrophobicContact CG2-CG2 4.28Å; I143-I215 HydrophobicContact CG1-CG2 4.16Å; Y146-I215 HydrophobicContact CD1-CD1 3.22Å; Y146-I215 HydrophobicContact CD1-CG1 4.08Å; Y146-I215 HydrophobicContact CD2-CD1 4.4Å; Y146-I215 HydrophobicContact CE1-CD1 3.93Å; Y146-I215 HydrophobicContact CE1-CG1 4.32Å; Y146-I215 HydrophobicContact CG-CD1 3.49Å; Y146-I215 VanDerWaalsContact CG-CD1 3.49Å; F211-I215 HydrophobicContact CD2-CG1 4.43Å; F211-I215 HydrophobicContact CE1-CG1 4.34Å; F211-I215 HydrophobicContact CE2-CD1 4.11Å; F211-I215 HydrophobicContact CE2-CG1 3.98Å; F211-I215 HydrophobicContact CZ-CD1 4.13Å; F211-I215 HydrophobicContact CZ-CG1 3.93Å; F211-I215 WeakPolarHBondContact O-CG1 3.16Å; F211-I215 PolarHBondContact O-N 2.91Å; F211-I215 VanDerWaalsContact O-N 3.12Å; V212-I215 PolarHBondContact O-N 2.88Å; V213-I215 PolarHBondContact O-N 2.76Å; I215-Y218 PolarHBondContact O-N 3.4Å; I215-A219 WeakPolarHBondContact O-CB 3.08Å; I215-A219 PolarHBondContact O-N 3.12Å
216I94.4Very high89.7Confident0 Ų043.4 Ų43.40%021%0.214CC..Hα-helixtrans-66.1-47.1-179.3-64.9172.5000110.2I70 V125 W139 V212 V213 D214 Y218 A219 I220 V225 I230 W233I70-I216 HydrophobicContact CD1-CD1 4.33Å; I70-I216 HydrophobicContact CG2-CD1 4.18Å; V125-I216 HydrophobicContact CG1-CD1 4.28Å; V125-I216 HydrophobicContact CG1-CG1 4.23Å; V125-I216 HydrophobicContact CG1-CG2 3.93Å; V125-I216 HydrophobicContact CG2-CD1 3.99Å; V125-I216 HydrophobicContact CG2-CG1 4.28Å; W139-I216 HydrophobicContact CH2-CG1 4.03Å; W139-I216 HydrophobicContact CZ3-CG1 4.4Å; V212-I216 HydrophobicContact CG1-CD1 3.88Å; V212-I216 HydrophobicContact CG1-CG1 4.49Å; V212-I216 VanDerWaalsContact O-CG1 3.32Å; V212-I216 WeakPolarHBondContact O-CG1 3.2Å; V212-I216 PolarHBondContact O-N 3Å; V212-I216 VanDerWaalsContact O-N 3.09Å; V213-I216 PolarHBondContact O-N 2.87Å; D214-I216 VanDerWaalsContact C-N 3.34Å; D214-I216 PolarHBondContact O-N 3.13Å; I216-Y218 VanDerWaalsContact C-N 3.25Å; I216-Y218 PolarHBondContact O-N 3.48Å; I216-A219 WeakPolarHBondContact O-CB 3.34Å; I216-A219 PolarHBondContact O-N 3.19Å; I216-I220 HydrophobicContact CG2-CD1 4.09Å; I216-I220 HydrophobicContact CG2-CG1 4.22Å; I216-I220 WeakPolarHBondContact O-CG1 3.43Å; I216-I220 PolarHBondContact O-N 3.38Å; I216-V225 HydrophobicContact CB-CG1 4.13Å; I216-V225 HydrophobicContact CG2-CB 4.38Å; I216-V225 HydrophobicContact CG2-CG1 3.79Å; I216-V225 HydrophobicContact CG2-CG2 3.99Å; I216-I230 HydrophobicContact CD1-CD1 3.82Å; I216-W233 HydrophobicContact CD1-CZ3 4.13Å
217K92.5Very high90.4Very high59 Ų5946.5 Ų46.526%0.25723%0.226SC..Hα-helixtrans-54.5-44.7174.9-77.5-172.9174.4-170.40111.5V213 D214 A219 N221 V225V213-K217 HydrophobicContact CG1-CD 4.07Å; V213-K217 HydrophobicContact CG1-CG 4.26Å; V213-K217 WeakPolarHBondContact O-CB 3.31Å; V213-K217 WeakPolarHBondContact O-CG 3.5Å; V213-K217 PolarHBondContact O-N 3.2Å; D214-K217 PolarHBondContact O-N 2.91Å; K217-A219 VanDerWaalsContact C-N 3.32Å; K217-A219 PolarHBondContact O-N 2.66Å; K217-N221 WeakPolarHBondContact O-CA 3.47Å; K217-N221 PolarHBondContact O-N 2.85Å; K217-V225 WeakPolarHBondContact CE-O 3.43Å; K217-V225 HydrophobicContact CG-CB 4.15Å; K217-V225 HydrophobicContact CG-CG1 4.49Å
218Y89.9Confident90.7Very high115 Ų11550.1 Ų50.145%0.45124%0.244SC..Hα-helixtrans-64.9-36.2178.3-168.3-108.8000112.3T142 S145 Y146 D214 I215 I216T142-Y218 HydrophobicContact CG2-CD1 3.62Å; T142-Y218 HydrophobicContact CG2-CE1 4.45Å; T142-Y218 HydrophobicContact CG2-CG 4.5Å; S145-Y218 PolarHBondContact OG-OH 3.29Å; Y146-Y218 HydrophobicContact CD2-CD1 4.27Å; Y146-Y218 HydrophobicContact CD2-CD2 4.5Å; Y146-Y218 HydrophobicContact CD2-CG 4.08Å; D214-Y218 VanDerWaalsContact O-CB 3.26Å; D214-Y218 WeakPolarHBondContact O-CB 3.12Å; D214-Y218 PolarHBondContact O-N 3.4Å; I215-Y218 PolarHBondContact O-N 3.4Å; I216-Y218 VanDerWaalsContact C-N 3.25Å; I216-Y218 PolarHBondContact O-N 3.48Å
219A91.4Very high90.8Very high16 Ų1652.7 Ų52.713%0.13225%0.251CS..Hα-helixtrans-68.9-48.6178.200000113.6L134 W139 T142 I215 I216 K217L134-A219 HydrophobicContact CD1-CB 3.82Å; W139-A219 HydrophobicContact CE3-CB 3.98Å; W139-A219 HydrophobicContact CZ3-CB 3.82Å; T142-A219 HydrophobicContact CG2-CB 3.65Å; I215-A219 WeakPolarHBondContact O-CB 3.08Å; I215-A219 PolarHBondContact O-N 3.12Å; I216-A219 WeakPolarHBondContact O-CB 3.34Å; I216-A219 PolarHBondContact O-N 3.19Å; K217-A219 VanDerWaalsContact C-N 3.32Å; K217-A219 PolarHBondContact O-N 2.66Å
220I90.4Very high90.9Very high33 Ų3351.4 Ų51.417%0.16924%0.244CC..Hα-helixtrans-107.5-4.5-169.168.7169.6000114.1T129 C131 L134 I216 D222 V225T129-I220 HydrophobicContact CG2-CD1 3.87Å; C131-I220 HydrophobicContact CB-CG2 4.15Å; L134-I220 HydrophobicContact CD1-CG2 4.34Å; L134-I220 HydrophobicContact CD2-CG2 3.75Å; L134-I220 HydrophobicContact CG-CG2 4.49Å; I216-I220 HydrophobicContact CG2-CD1 4.09Å; I216-I220 HydrophobicContact CG2-CG1 4.22Å; I216-I220 WeakPolarHBondContact O-CG1 3.43Å; I216-I220 PolarHBondContact O-N 3.38Å; I220-D222 HydrophobicContact CD1-CB 3.52Å; I220-D222 HydrophobicContact CG1-CB 3.59Å; I220-D222 PolarHBondContact O-N 3.38Å; I220-V225 HydrophobicContact CD1-CG2 3.85Å
221N85.8Confident91Very high134 Ų13452.5 Ų52.572%0.71726%0.257SS*.  trans52.633.9-176-166.539000113.2K217K217-N221 WeakPolarHBondContact O-CA 3.47Å; K217-N221 PolarHBondContact O-N 2.85Å
222D82.7Confident91.2Very high41 Ų4157.7 Ų57.722%0.21928%0.281CS..  trans-101.1111.5178.4-1760.9000109.6I220 E224 V225 R229I220-D222 HydrophobicContact CD1-CB 3.52Å; I220-D222 HydrophobicContact CG1-CB 3.59Å; I220-D222 PolarHBondContact O-N 3.38Å; D222-E224 PolarHBondContact O-N 3.22Å; D222-E224 VanDerWaalsContact OD1-CB 3.23Å; D222-E224 WeakPolarHBondContact OD1-CB 3.44Å; D222-E224 PolarHBondContact OD1-N 3.22Å; D222-V225 HydrophobicContact CB-CG2 4.07Å; D222-V225 PolarHBondContact O-N 3.15Å; D222-R229 IonicContact OD2-CZ 3.63Å; D222-R229 IonicContact OD2-NH1 2.77Å; D222-R229 PolarHBondContact OD2-NH1 3.36Å
223Q80Confident91.1Very high127 Ų12758.8 Ų58.859%0.59329%0.286SS*.THydrogen-bonded Turntrans-73.2-16.2179.1-62-57.6-41.400112.9V225Q223-V225 VanDerWaalsContact C-N 3.3Å
224E87.9Confident91Very high133 Ų13359.2 Ų59.262%0.62129%0.287SS*.THydrogen-bonded Turntrans-78.9-13.7178.5-59.9-62.2133.600112.6D222 N226D222-E224 PolarHBondContact O-N 3.22Å; D222-E224 VanDerWaalsContact OD1-CB 3.23Å; D222-E224 WeakPolarHBondContact OD1-CB 3.44Å; D222-E224 PolarHBondContact OD1-N 3.22Å; E224-N226 PolarHBondContact O-N 3.23Å; E224-N226 PolarHBondContact O-ND2 3.25Å
225V91.6Very high91.1Very high0 Ų059.7 Ų59.70%030%0.295CS..  trans-67.5123.5171.5175.60000108.8I216 K217 I220 D222 Q223 I230 W233I216-V225 HydrophobicContact CB-CG1 4.13Å; I216-V225 HydrophobicContact CG2-CB 4.38Å; I216-V225 HydrophobicContact CG2-CG1 3.79Å; I216-V225 HydrophobicContact CG2-CG2 3.99Å; K217-V225 WeakPolarHBondContact CE-O 3.43Å; K217-V225 HydrophobicContact CG-CB 4.15Å; K217-V225 HydrophobicContact CG-CG1 4.49Å; I220-V225 HydrophobicContact CD1-CG2 3.85Å; D222-V225 HydrophobicContact CB-CG2 4.07Å; D222-V225 PolarHBondContact O-N 3.15Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; V225-I230 HydrophobicContact CG1-CD1 4.29Å; V225-I230 HydrophobicContact CG1-CG1 4.33Å; V225-W233 HydrophobicContact CG2-CH2 4.37Å
226N92.7Very high90.8Very high60 Ų6064.3 Ų64.332%0.32132%0.319SS..  trans-152.2175.8179.159.849.4000109.7E224 I228 R229 I230E224-N226 PolarHBondContact O-N 3.23Å; E224-N226 PolarHBondContact O-ND2 3.25Å; N226-I228 PolarHBondContact O-N 2.85Å; N226-I228 WeakPolarHBondContact OD1-CA 3.19Å; N226-I228 WeakPolarHBondContact OD1-CB 3.44Å; N226-I228 PolarHBondContact OD1-N 2.78Å; N226-R229 PolarHBondContact O-N 2.89Å; N226-R229 VanDerWaalsContact O-N 3.12Å; N226-R229 PolarHBondContact OD1-N 3.17Å; N226-I230 PolarHBondContact O-N 3.33Å; N226-I230 VanDerWaalsContact O-N 3.09Å
227R93.9Very high90.6Very high94 Ų9466.2 Ų66.236%0.35533%0.328SS..Hα-helixtrans-52.9-41.6-179.5-64.2175.972.591.5-1.8112.5D207 L209 D210 V213 I230 A231D207-R227 VanDerWaalsContact CG-NH1 3.32Å; D207-R227 IonicContact OD1-CZ 2.82Å; D207-R227 IonicContact OD1-NH1 2.79Å; D207-R227 PolarHBondContact OD1-NH1 2.79Å; D207-R227 IonicContact OD1-NH2 3.63Å; D207-R227 IonicContact OD2-CZ 3.83Å; D207-R227 IonicContact OD2-NH1 3.77Å; D207-R227 PolarHBondContact OD2-NH1 2.77Å; D207-R227 IonicContact OD2-NH2 2.68Å; D207-R227 PolarHBondContact OD2-NH2 3.33Å; L209-R227 HydrophobicContact CD2-CB 3.97Å; L209-R227 HydrophobicContact CD2-CG 4.04Å; L209-R227 HydrophobicContact CG-CG 4.24Å; D210-R227 WeakPolarHBondContact OD1-CD 3.1Å; D210-R227 IonicContact OD1-CZ 3.33Å; D210-R227 IonicContact OD1-NH1 2.78Å; D210-R227 PolarHBondContact OD1-NH1 2.68Å; D210-R227 IonicContact OD2-NH1 3.13Å; D210-R227 PolarHBondContact OD2-NH1 2.84Å; V213-R227 HydrophobicContact CG2-CG 4.26Å; R227-I230 PolarHBondContact O-N 2.71Å; R227-A231 VanDerWaalsContact O-CB 3.29Å; R227-A231 WeakPolarHBondContact O-CB 3.06Å; R227-A231 PolarHBondContact O-N 2.84Å
228I93.2Very high90.4Very high118 Ų11865.1 Ų65.161%0.60533%0.325SS*.Hα-helixtrans-63.6-46.1-178.8-58172.3000110N226 A231 Q232N226-I228 PolarHBondContact O-N 2.85Å; N226-I228 WeakPolarHBondContact OD1-CA 3.19Å; N226-I228 WeakPolarHBondContact OD1-CB 3.44Å; N226-I228 PolarHBondContact OD1-N 2.78Å; I228-A231 PolarHBondContact O-N 2.95Å; I228-Q232 WeakPolarHBondContact O-CG 3.1Å; I228-Q232 PolarHBondContact O-N 3.05Å
229R94.2Very high90.3Very high69 Ų6966.3 Ų66.326%0.2633%0.334SS..Hα-helixtrans-65.6-41.1-178.6-163.5172-177.6-168-4.5112.3D222 N226 Q232 W233D222-R229 IonicContact OD2-CZ 3.63Å; D222-R229 IonicContact OD2-NH1 2.77Å; D222-R229 PolarHBondContact OD2-NH1 3.36Å; N226-R229 PolarHBondContact O-N 2.89Å; N226-R229 VanDerWaalsContact O-N 3.12Å; N226-R229 PolarHBondContact OD1-N 3.17Å; R229-Q232 WeakPolarHBondContact O-CB 3.44Å; R229-Q232 PolarHBondContact O-N 2.77Å; R229-W233 HydrophobicContact CG-CZ2 3.88Å; R229-W233 PolarHBondContact O-N 2.83Å; R229-W233 VanDerWaalsContact O-N 3.15Å
230I95.3Very high90Very high0 Ų065.8 Ų65.80%033%0.329CS..Hα-helixtrans-66.6-41.2175.1-60-173.5000111I70 F72 L209 V212 V213 I216 V225 N226 R227 Q232 W233 L234I70-I230 HydrophobicContact CD1-CG2 4.1Å; F72-I230 HydrophobicContact CZ-CG2 3.74Å; L209-I230 HydrophobicContact CD1-CB 4.16Å; L209-I230 HydrophobicContact CD1-CD1 4.39Å; L209-I230 HydrophobicContact CD1-CG2 3.72Å; V212-I230 HydrophobicContact CG1-CD1 4.04Å; V213-I230 HydrophobicContact CB-CD1 4.29Å; V213-I230 HydrophobicContact CG2-CD1 3.45Å; V213-I230 VanDerWaalsContact CG2-CD1 3.45Å; V213-I230 HydrophobicContact CG2-CG1 4.34Å; I216-I230 HydrophobicContact CD1-CD1 3.82Å; V225-I230 HydrophobicContact CG1-CD1 4.29Å; V225-I230 HydrophobicContact CG1-CG1 4.33Å; N226-I230 PolarHBondContact O-N 3.33Å; N226-I230 VanDerWaalsContact O-N 3.09Å; R227-I230 PolarHBondContact O-N 2.71Å; I230-Q232 VanDerWaalsContact C-N 3.27Å; I230-Q232 PolarHBondContact O-N 3.15Å; I230-W233 HydrophobicContact CB-CE3 4.3Å; I230-W233 HydrophobicContact CG1-CE3 4Å; I230-W233 HydrophobicContact CG1-CZ3 3.83Å; I230-W233 HydrophobicContact CG2-CE3 4.45Å; I230-W233 WeakPolarHBondContact O-CB 3.36Å; I230-W233 PolarHBondContact O-N 3.07Å; I230-W233 VanDerWaalsContact O-N 3.12Å; I230-L234 PolarHBondContact O-N 3.19Å
231A93Very high89.9Confident48 Ų4864.3 Ų64.340%0.39732%0.321SS..Hα-helixtrans-61.5-35175.700000112.4R227 I228 L234 S235R227-A231 VanDerWaalsContact O-CB 3.29Å; R227-A231 WeakPolarHBondContact O-CB 3.06Å; R227-A231 PolarHBondContact O-N 2.84Å; I228-A231 PolarHBondContact O-N 2.95Å; A231-L234 PolarHBondContact O-N 3.34Å; A231-S235 WeakPolarHBondContact O-CB 2.93Å; A231-S235 PolarHBondContact O-N 3.31Å
232Q93.7Very high89.9Confident110 Ų11062 Ų6251%0.51431%0.309SS..Hα-helixtrans-65.8-39.6172.6-72.9169.8-17.200112.5I228 R229 I230 L234 S235 N236I228-Q232 WeakPolarHBondContact O-CG 3.1Å; I228-Q232 PolarHBondContact O-N 3.05Å; R229-Q232 WeakPolarHBondContact O-CB 3.44Å; R229-Q232 PolarHBondContact O-N 2.77Å; I230-Q232 VanDerWaalsContact C-N 3.27Å; I230-Q232 PolarHBondContact O-N 3.15Å; Q232-L234 VanDerWaalsContact C-N 3.3Å; Q232-L234 PolarHBondContact O-N 2.89Å; Q232-S235 WeakPolarHBondContact CA-OG 3.38Å; Q232-S235 PolarHBondContact O-N 3.18Å; Q232-S235 PolarHBondContact O-OG 2.92Å; Q232-N236 PolarHBondContact O-N 2.96Å
233W93.8Very high90Very high24 Ų2462.5 Ų62.59%0.09131%0.311CS..Hα-helixtrans-63-41.6174-58.3-25.4000111.3I123 V128 T129 I216 V225 R229 I230I123-W233 HydrophobicContact CD1-CB 3.98Å; I123-W233 HydrophobicContact CG2-CB 4.39Å; V128-W233 HydrophobicContact CB-CD2 3.99Å; V128-W233 HydrophobicContact CB-CG 4.06Å; V128-W233 HydrophobicContact CB-CZ2 4.43Å; V128-W233 HydrophobicContact CG1-CG 4.28Å; V128-W233 HydrophobicContact CG2-CD2 3.5Å; V128-W233 HydrophobicContact CG2-CE3 3.67Å; V128-W233 HydrophobicContact CG2-CG 4.04Å; V128-W233 HydrophobicContact CG2-CH2 3.99Å; V128-W233 HydrophobicContact CG2-CZ2 3.82Å; V128-W233 HydrophobicContact CG2-CZ3 3.91Å; T129-W233 HydrophobicContact CG2-CH2 3.61Å; T129-W233 HydrophobicContact CG2-CZ2 3.79Å; I216-W233 HydrophobicContact CD1-CZ3 4.13Å; V225-W233 HydrophobicContact CG2-CH2 4.37Å; R229-W233 HydrophobicContact CG-CZ2 3.88Å; R229-W233 PolarHBondContact O-N 2.83Å; R229-W233 VanDerWaalsContact O-N 3.15Å; I230-W233 HydrophobicContact CB-CE3 4.3Å; I230-W233 HydrophobicContact CG1-CE3 4Å; I230-W233 HydrophobicContact CG1-CZ3 3.83Å; I230-W233 HydrophobicContact CG2-CE3 4.45Å; I230-W233 WeakPolarHBondContact O-CB 3.36Å; I230-W233 PolarHBondContact O-N 3.07Å; I230-W233 VanDerWaalsContact O-N 3.12Å
234L93.2Very high90.4Very high16 Ų1656.6 Ų56.68%0.08428%0.283CS..Hα-helixtrans-67.9-39.4177.1178.163.1000112.7F72 L90 I121 I123 I230 A231 Q232 N236 Q237 L238F72-L234 HydrophobicContact CB-CD1 4.11Å; F72-L234 HydrophobicContact CD1-CD1 4.2Å; F72-L234 HydrophobicContact CD1-CD2 3.68Å; F72-L234 HydrophobicContact CD2-CD1 3.84Å; F72-L234 HydrophobicContact CE1-CD2 3.77Å; F72-L234 HydrophobicContact CE2-CD1 4.33Å; F72-L234 HydrophobicContact CG-CD1 3.78Å; F72-L234 HydrophobicContact CG-CD2 4.14Å; F72-L234 HydrophobicContact CZ-CD2 4.28Å; L90-L234 HydrophobicContact CD1-CD2 3.71Å; I121-L234 HydrophobicContact CB-CD1 4.49Å; I121-L234 HydrophobicContact CD1-CD1 3.93Å; I121-L234 HydrophobicContact CG2-CD1 4.13Å; I123-L234 HydrophobicContact CD1-CB 4.26Å; I230-L234 PolarHBondContact O-N 3.19Å; A231-L234 PolarHBondContact O-N 3.34Å; Q232-L234 VanDerWaalsContact C-N 3.3Å; Q232-L234 PolarHBondContact O-N 2.89Å; L234-N236 VanDerWaalsContact C-N 3.25Å; L234-N236 PolarHBondContact O-N 2.82Å; L234-Q237 WeakPolarHBondContact O-CA 3.32Å; L234-Q237 WeakPolarHBondContact O-CB 3.43Å; L234-Q237 PolarHBondContact O-N 3.41Å; L234-L238 HydrophobicContact CD1-CD1 4.32Å; L234-L238 HydrophobicContact CD1-CG 4.11Å; L234-L238 HydrophobicContact CD2-CD1 4.23Å; L234-L238 HydrophobicContact CG-CD1 3.81Å; L234-L238 HydrophobicContact CG-CG 4.09Å; L234-L238 PolarHBondContact O-N 2.87Å
235S90.8Very high90.3Very high57 Ų5751 Ų5140%0.39926%0.258SS..Hα-helixtrans-59.4-38.8-178.863.40000112A231 Q232 Q237 L238 E239A231-S235 WeakPolarHBondContact O-CB 2.93Å; A231-S235 PolarHBondContact O-N 3.31Å; Q232-S235 WeakPolarHBondContact CA-OG 3.38Å; Q232-S235 PolarHBondContact O-N 3.18Å; Q232-S235 PolarHBondContact O-OG 2.92Å; S235-Q237 PolarHBondContact O-N 3.17Å; S235-L238 PolarHBondContact O-N 3.4Å; S235-E239 PolarHBondContact O-N 2.83Å
236N87.2Confident89.9Confident96 Ų9654.1 Ų54.151%0.51328%0.275SS..Hα-helixtrans-62.8-33176.2-64.8-9.2000112Q232 L234Q232-N236 PolarHBondContact O-N 2.96Å; L234-N236 VanDerWaalsContact C-N 3.25Å; L234-N236 PolarHBondContact O-N 2.82Å
237Q88.7Confident89.6Confident40 Ų4051.3 Ų51.319%0.18726%0.26CS..Hα-helixtrans-78.3-38.9175.7-58.9-58.3-3900112I121 I123 L234 S235 E239 W240 V241I121-Q237 HydrophobicContact CG2-CB 3.47Å; I121-Q237 VanDerWaalsContact CG2-CB 3.47Å; I121-Q237 HydrophobicContact CG2-CG 3.8Å; I123-Q237 HydrophobicContact CD1-CG 4.31Å; I123-Q237 HydrophobicContact CG1-CG 4.1Å; L234-Q237 WeakPolarHBondContact O-CA 3.32Å; L234-Q237 WeakPolarHBondContact O-CB 3.43Å; L234-Q237 PolarHBondContact O-N 3.41Å; S235-Q237 PolarHBondContact O-N 3.17Å; Q237-E239 VanDerWaalsContact C-N 3.31Å; Q237-E239 PolarHBondContact O-N 2.78Å; Q237-W240 WeakPolarHBondContact O-CB 3.09Å; Q237-W240 PolarHBondContact O-N 3.2Å; Q237-W240 VanDerWaalsContact O-N 3.11Å; Q237-V241 WeakPolarHBondContact O-CG2 3.05Å; Q237-V241 PolarHBondContact O-N 3.32Å
238L89.3Confident89.2Confident37 Ų3747.8 Ų47.819%0.19425%0.248CC..Hα-helixtrans-64.8-34.6178.5-74.9172.4000112.4L90 I121 L234 S235 W240 V241 L242L90-L238 HydrophobicContact CD1-CD1 4.24Å; L90-L238 HydrophobicContact CD1-CD2 4.5Å; I121-L238 HydrophobicContact CD1-CD2 3.6Å; I121-L238 HydrophobicContact CD1-CG 4.2Å; L234-L238 HydrophobicContact CD1-CD1 4.32Å; L234-L238 HydrophobicContact CD1-CG 4.11Å; L234-L238 HydrophobicContact CD2-CD1 4.23Å; L234-L238 HydrophobicContact CG-CD1 3.81Å; L234-L238 HydrophobicContact CG-CG 4.09Å; L234-L238 PolarHBondContact O-N 2.87Å; S235-L238 PolarHBondContact O-N 3.4Å; L238-W240 PolarHBondContact O-N 3.4Å; L238-V241 PolarHBondContact O-N 3.33Å; L238-L242 VanDerWaalsContact O-CG 3.32Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.49Å
239E86.7Confident88.8Confident139 Ų13948.5 Ų48.565%0.6525%0.247SC*.Hα-helixtrans-56.2-43171.8-173.9178.5-178.200111S235 Q237 L242 L243S235-E239 PolarHBondContact O-N 2.83Å; Q237-E239 VanDerWaalsContact C-N 3.31Å; Q237-E239 PolarHBondContact O-N 2.78Å; E239-L242 PolarHBondContact O-N 3.46Å; E239-L243 WeakPolarHBondContact O-CB 3.07Å; E239-L243 PolarHBondContact O-N 3.41Å
240W86.6Confident88.3Confident6 Ų647.9 Ų47.92%0.02325%0.247CC..Hα-helixtrans-68.1-41176.2-179.6-132000112.7L49 M50 P52 Q237 L238 L242 L243 Y244 L262 P263 A266L49-W240 HydrophobicContact CB-CZ2 4.43Å; L49-W240 HydrophobicContact CD2-CH2 3.68Å; L49-W240 HydrophobicContact CD2-CZ2 4.35Å; L49-W240 HydrophobicContact CG-CH2 3.97Å; L49-W240 HydrophobicContact CG-CZ2 4.32Å; M50-W240 WeakPolarHBondContact O-CZ2 3.29Å; M50-W240 PolarHBondContact O-NE1 3.25Å; P52-W240 HydrophobicContact CB-CG 4.06Å; Q237-W240 WeakPolarHBondContact O-CB 3.09Å; Q237-W240 PolarHBondContact O-N 3.2Å; Q237-W240 VanDerWaalsContact O-N 3.11Å; L238-W240 PolarHBondContact O-N 3.4Å; W240-L242 VanDerWaalsContact C-N 3.35Å; W240-L242 PolarHBondContact O-N 3.14Å; W240-L243 HydrophobicContact CE3-CB 4.15Å; W240-L243 HydrophobicContact CE3-CD2 3.91Å; W240-L243 HydrophobicContact CE3-CG 4.21Å; W240-L243 HydrophobicContact CZ3-CB 4.4Å; W240-L243 HydrophobicContact CZ3-CD2 3.75Å; W240-L243 HydrophobicContact CZ3-CG 4Å; W240-L243 PolarHBondContact O-N 3.42Å; W240-Y244 HydrophobicContact CH2-CD2 4.15Å; W240-Y244 AromaticContact CZ2-CD2 3.7Å; W240-Y244 HydrophobicContact CZ2-CD2 3.7Å; W240-Y244 HydrophobicContact CZ2-CE2 4.5Å; W240-Y244 VanDerWaalsContact O-CB 3.23Å; W240-Y244 WeakPolarHBondContact O-CB 3.11Å; W240-Y244 PolarHBondContact O-N 2.77Å; W240-L262 HydrophobicContact CH2-CD2 4.36Å; W240-P263 HydrophobicContact CE3-CG 3.74Å; W240-P263 HydrophobicContact CZ3-CG 4.08Å; W240-A266 HydrophobicContact CD2-CB 4.23Å; W240-A266 HydrophobicContact CE3-CB 4.18Å; W240-A266 HydrophobicContact CH2-CB 3.3Å; W240-A266 HydrophobicContact CZ2-CB 3.33Å; W240-A266 HydrophobicContact CZ3-CB 3.75Å
241V88Confident87.7Confident1 Ų148.9 Ų48.91%0.00625%0.252CS..Hα-helixtrans-57-49174.3175.20000110.9P52 I81 C84 I121 Q237 L238 Y244 T245P52-V241 HydrophobicContact CB-CB 4.28Å; P52-V241 HydrophobicContact CB-CG2 3.7Å; P52-V241 HydrophobicContact CG-CB 4.49Å; P52-V241 HydrophobicContact CG-CG2 4.18Å; I81-V241 HydrophobicContact CG1-CG1 4.47Å; I81-V241 WeakPolarHBondContact O-CG1 3.32Å; C84-V241 HydrophobicContact CB-CG1 4.46Å; I121-V241 HydrophobicContact CD1-CG2 3.83Å; I121-V241 HydrophobicContact CG1-CG2 4.1Å; Q237-V241 WeakPolarHBondContact O-CG2 3.05Å; Q237-V241 PolarHBondContact O-N 3.32Å; L238-V241 PolarHBondContact O-N 3.33Å; V241-Y244 PolarHBondContact O-N 2.87Å; V241-T245 WeakPolarHBondContact O-CB 3.36Å; V241-T245 PolarHBondContact O-N 2.97Å; V241-T245 PolarHBondContact O-OG1 3.34Å
242L85.7Confident87.3Confident87 Ų8752.6 Ų52.646%0.45526%0.261SS..Hα-helixtrans-64.9-43.4-178-68.8173.9000111.7L238 E239 W240 T245 D246L238-L242 VanDerWaalsContact O-CG 3.32Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.49Å; E239-L242 PolarHBondContact O-N 3.46Å; W240-L242 VanDerWaalsContact C-N 3.35Å; W240-L242 PolarHBondContact O-N 3.14Å; L242-T245 PolarHBondContact O-N 3.14Å; L242-D246 PolarHBondContact O-N 2.78Å
243L85.2Confident86.8Confident51 Ų5151.3 Ų51.327%0.26726%0.264SS..Hα-helixtrans-62.1-46.9175.5-179.356.5000111.1E239 W240 T245 D246 I247 M259 P263E239-L243 WeakPolarHBondContact O-CB 3.07Å; E239-L243 PolarHBondContact O-N 3.41Å; W240-L243 HydrophobicContact CE3-CB 4.15Å; W240-L243 HydrophobicContact CE3-CD2 3.91Å; W240-L243 HydrophobicContact CE3-CG 4.21Å; W240-L243 HydrophobicContact CZ3-CB 4.4Å; W240-L243 HydrophobicContact CZ3-CD2 3.75Å; W240-L243 HydrophobicContact CZ3-CG 4Å; W240-L243 PolarHBondContact O-N 3.42Å; L243-T245 VanDerWaalsContact C-N 3.35Å; L243-T245 PolarHBondContact O-N 3.49Å; L243-D246 PolarHBondContact O-N 3.3Å; L243-I247 HydrophobicContact CD1-CD1 4.25Å; L243-I247 HydrophobicContact CD1-CG1 4.41Å; L243-I247 HydrophobicContact CG-CD1 3.99Å; L243-I247 VanDerWaalsContact O-CD1 3.25Å; L243-I247 WeakPolarHBondContact O-CD1 3.46Å; L243-I247 WeakPolarHBondContact O-CG1 2.94Å; L243-I247 PolarHBondContact O-N 3.4Å; L243-M259 HydrophobicContact CD1-CE 4.06Å; L243-M259 HydrophobicContact CD2-CE 3.77Å; L243-M259 HydrophobicContact CG-CE 3.97Å; L243-P263 HydrophobicContact CD2-CG 4.02Å
244Y87Confident85.8Confident2 Ų253.2 Ų53.21%0.00829%0.292CS..Hα-helixtrans-58.4-44.6176.9-167.2-89000112.4S4 I6 L49 L51 P52 L82 W240 V241 I247 I248S4-Y244 PolarHBondContact O-OH 2.97Å; I6-Y244 HydrophobicContact CD1-CD2 4.11Å; I6-Y244 HydrophobicContact CD1-CE1 4.29Å; I6-Y244 HydrophobicContact CD1-CE2 3.7Å; I6-Y244 HydrophobicContact CG1-CE2 4.42Å; L49-Y244 HydrophobicContact CB-CE2 4.22Å; L51-Y244 HydrophobicContact CD2-CE1 3.93Å; L51-Y244 VanDerWaalsContact CD2-OH 3.31Å; L51-Y244 WeakPolarHBondContact CD2-OH 3.18Å; P52-Y244 HydrophobicContact CG-CD1 3.89Å; P52-Y244 HydrophobicContact CG-CD2 4.47Å; P52-Y244 HydrophobicContact CG-CG 3.81Å; L82-Y244 HydrophobicContact CD2-CD1 3.69Å; L82-Y244 HydrophobicContact CD2-CE1 4.21Å; W240-Y244 HydrophobicContact CH2-CD2 4.15Å; W240-Y244 AromaticContact CZ2-CD2 3.7Å; W240-Y244 HydrophobicContact CZ2-CD2 3.7Å; W240-Y244 HydrophobicContact CZ2-CE2 4.5Å; W240-Y244 VanDerWaalsContact O-CB 3.23Å; W240-Y244 WeakPolarHBondContact O-CB 3.11Å; W240-Y244 PolarHBondContact O-N 2.77Å; V241-Y244 PolarHBondContact O-N 2.87Å; Y244-I247 PolarHBondContact O-N 2.74Å; Y244-I248 HydrophobicContact CD1-CD1 3.82Å; Y244-I248 HydrophobicContact CD1-CG1 4.28Å; Y244-I248 HydrophobicContact CE1-CD1 3.28Å; Y244-I248 HydrophobicContact CE1-CG1 3.99Å; Y244-I248 PolarHBondContact O-N 2.91Å
245T85.9Confident84.5Confident15 Ų1555.3 Ų55.39%0.09231%0.307CS..Hα-helixtrans-64.1-42.6176.7-68.80000112.2L82 V241 L242 L243 I247 I248 K249L82-T245 WeakPolarHBondContact CA-OG1 3.33Å; L82-T245 WeakPolarHBondContact O-CG2 3.4Å; L82-T245 PolarHBondContact O-OG1 3.31Å; V241-T245 WeakPolarHBondContact O-CB 3.36Å; V241-T245 PolarHBondContact O-N 2.97Å; V241-T245 PolarHBondContact O-OG1 3.34Å; L242-T245 PolarHBondContact O-N 3.14Å; L243-T245 VanDerWaalsContact C-N 3.35Å; L243-T245 PolarHBondContact O-N 3.49Å; T245-I247 VanDerWaalsContact C-N 3.33Å; T245-I247 PolarHBondContact O-N 3.13Å; T245-I248 PolarHBondContact O-N 3.48Å; T245-K249 HydrophobicContact CG2-CD 4.16Å; T245-K249 WeakPolarHBondContact O-CG 3.41Å; T245-K249 PolarHBondContact O-N 3.07Å
246D84.9Confident83.1Confident67 Ų6756.8 Ų56.836%0.35831%0.31SS..Hα-helixtrans-60.9-43.3176.2179.354.8000111.3L242 L243 I248 K249 Q250 Q257L242-D246 PolarHBondContact O-N 2.78Å; L243-D246 PolarHBondContact O-N 3.3Å; D246-I248 PolarHBondContact O-N 3.18Å; D246-K249 PolarHBondContact O-N 3.19Å; D246-Q250 WeakPolarHBondContact O-CG 3.13Å; D246-Q250 PolarHBondContact O-N 3.02Å; D246-Q250 PolarHBondContact OD1-NE2 3.5Å; D246-Q250 PolarHBondContact OD2-NE2 3.35Å; D246-Q257 PolarHBondContact OD2-NE2 2.74Å
247I84.6Confident82.2Confident0 Ų053.2 Ų53.20%029%0.29CS..Hα-helixtrans-60.1-47.4176.3-59.8151.3000111.5I6 C25 L49 L243 Y244 T245 K249 Q250 L251 Q257 M259I6-I247 HydrophobicContact CD1-CB 4Å; I6-I247 HydrophobicContact CD1-CG2 3.52Å; I6-I247 HydrophobicContact CG1-CG2 4.34Å; I6-I247 HydrophobicContact CG2-CG2 4.17Å; C25-I247 HydrophobicContact CB-CG2 4.29Å; L49-I247 HydrophobicContact CD2-CD1 4.13Å; L243-I247 HydrophobicContact CD1-CD1 4.25Å; L243-I247 HydrophobicContact CD1-CG1 4.41Å; L243-I247 HydrophobicContact CG-CD1 3.99Å; L243-I247 VanDerWaalsContact O-CD1 3.25Å; L243-I247 WeakPolarHBondContact O-CD1 3.46Å; L243-I247 WeakPolarHBondContact O-CG1 2.94Å; L243-I247 PolarHBondContact O-N 3.4Å; Y244-I247 PolarHBondContact O-N 2.74Å; T245-I247 VanDerWaalsContact C-N 3.33Å; T245-I247 PolarHBondContact O-N 3.13Å; I247-K249 VanDerWaalsContact C-N 3.34Å; I247-K249 PolarHBondContact O-N 3.36Å; I247-Q250 PolarHBondContact O-N 3.24Å; I247-L251 HydrophobicContact CG2-CD1 3.6Å; I247-L251 HydrophobicContact CG2-CG 4.15Å; I247-L251 WeakPolarHBondContact O-CB 3.26Å; I247-L251 VanDerWaalsContact O-CG 3.25Å; I247-L251 WeakPolarHBondContact O-CG 3.15Å; I247-L251 PolarHBondContact O-N 3.41Å; I247-Q257 VanDerWaalsContact CB-OE1 3.25Å; I247-M259 HydrophobicContact CD1-CE 3.48Å; I247-M259 VanDerWaalsContact CD1-CE 3.48Å; I247-M259 HydrophobicContact CD1-CG 4.39Å; I247-M259 HydrophobicContact CD1-SD 3.18Å; I247-M259 WeakPolarHBondContact CD1-SD 3.25Å; I247-M259 HydrophobicContact CG1-CE 4.22Å; I247-M259 HydrophobicContact CG1-CG 4.26Å; I247-M259 HydrophobicContact CG1-SD 3.61Å
248I85.9Confident81.2Confident21 Ų2154.1 Ų54.111%0.10830%0.299CS..Hα-helixtrans-57-50.1176.8-74.7-172.8000110.6I6 L82 Y244 T245 D246 Q250 L251 E252I6-I248 HydrophobicContact CD1-CG1 3.7Å; I6-I248 HydrophobicContact CG1-CG1 4.37Å; L82-I248 HydrophobicContact CD1-CD1 4.21Å; Y244-I248 HydrophobicContact CD1-CD1 3.82Å; Y244-I248 HydrophobicContact CD1-CG1 4.28Å; Y244-I248 HydrophobicContact CE1-CD1 3.28Å; Y244-I248 HydrophobicContact CE1-CG1 3.99Å; Y244-I248 PolarHBondContact O-N 2.91Å; T245-I248 PolarHBondContact O-N 3.48Å; D246-I248 PolarHBondContact O-N 3.18Å; I248-Q250 VanDerWaalsContact C-N 3.32Å; I248-Q250 PolarHBondContact O-N 3.44Å; I248-L251 PolarHBondContact O-N 3.12Å; I248-E252 VanDerWaalsContact CG2-CD 3.48Å; I248-E252 HydrophobicContact CG2-CG 4.07Å; I248-E252 WeakPolarHBondContact CG2-OE1 3.31Å; I248-E252 WeakPolarHBondContact O-CB 3.38Å; I248-E252 VanDerWaalsContact O-CG 3.3Å; I248-E252 WeakPolarHBondContact O-CG 3.39Å; I248-E252 PolarHBondContact O-N 3Å
249K85.3Confident80.3Confident132 Ų13252.8 Ų52.857%0.57429%0.292SS*.Hα-helixtrans-59.2-42.7-177.9-74.8173.9-179.9173.10112.3T245 D246 I247 S253T245-K249 HydrophobicContact CG2-CD 4.16Å; T245-K249 WeakPolarHBondContact O-CG 3.41Å; T245-K249 PolarHBondContact O-N 3.07Å; D246-K249 PolarHBondContact O-N 3.19Å; I247-K249 VanDerWaalsContact C-N 3.34Å; I247-K249 PolarHBondContact O-N 3.36Å; K249-S253 WeakPolarHBondContact O-CB 3.37Å; K249-S253 PolarHBondContact O-N 3.15Å
250Q83.2Confident79.3Confident57 Ų5754 Ų5427%0.26629%0.294SS..Hα-helixtrans-66.2-46.9178.1-69.818024.900111.5D246 I247 I248 E252 S253 G254 S255D246-Q250 WeakPolarHBondContact O-CG 3.13Å; D246-Q250 PolarHBondContact O-N 3.02Å; D246-Q250 PolarHBondContact OD1-NE2 3.5Å; D246-Q250 PolarHBondContact OD2-NE2 3.35Å; I247-Q250 PolarHBondContact O-N 3.24Å; I248-Q250 VanDerWaalsContact C-N 3.32Å; I248-Q250 PolarHBondContact O-N 3.44Å; Q250-E252 VanDerWaalsContact C-N 3.32Å; Q250-E252 PolarHBondContact O-N 3.28Å; Q250-S253 PolarHBondContact O-N 3.48Å; Q250-S253 PolarHBondContact O-OG 2.87Å; Q250-G254 PolarHBondContact O-N 2.99Å; Q250-S255 CarbonylContact C-O 3.54Å; Q250-S255 WeakPolarHBondContact O-CA 3.44Å; Q250-S255 VanDerWaalsContact O-CB 3.3Å; Q250-S255 WeakPolarHBondContact O-CB 3.3Å; Q250-S255 PolarHBondContact O-N 3.05Å
251L84.1Confident78.4Confident20 Ų2062.6 Ų62.611%0.10533%0.327CS..Hα-helixtrans-66.1-35.7179.6-64.2174.5000112I6 C25 L27 I247 I248 G254 S255I6-L251 HydrophobicContact CG1-CD1 4.23Å; I6-L251 HydrophobicContact CG2-CD1 4.17Å; C25-L251 HydrophobicContact CB-CD1 4.12Å; C25-L251 HydrophobicContact CB-CD2 4.44Å; C25-L251 VanDerWaalsContact O-CD2 3.27Å; C25-L251 WeakPolarHBondContact O-CD2 3.19Å; L27-L251 HydrophobicContact CD1-CB 3.42Å; L27-L251 VanDerWaalsContact CD1-CB 3.42Å; L27-L251 HydrophobicContact CD2-CB 4.38Å; L27-L251 HydrophobicContact CD2-CD1 4.19Å; L27-L251 HydrophobicContact CG-CB 3.59Å; L27-L251 HydrophobicContact CG-CD1 3.84Å; L27-L251 HydrophobicContact CG-CG 4.36Å; I247-L251 HydrophobicContact CG2-CD1 3.6Å; I247-L251 HydrophobicContact CG2-CG 4.15Å; I247-L251 WeakPolarHBondContact O-CB 3.26Å; I247-L251 VanDerWaalsContact O-CG 3.25Å; I247-L251 WeakPolarHBondContact O-CG 3.15Å; I247-L251 PolarHBondContact O-N 3.41Å; I248-L251 PolarHBondContact O-N 3.12Å; L251-G254 PolarHBondContact O-N 3.12Å; L251-S255 WeakPolarHBondContact CA-O 3.39Å
252E84.5Confident77.3Confident127 Ų12763 Ų6359%0.59333%0.329SS*.Hα-helixtrans-69-32.8174.3-74.7-179.2166.900112.5L27 I248 Q250 G254L27-E252 HydrophobicContact CD1-CG 3.91Å; I248-E252 VanDerWaalsContact CG2-CD 3.48Å; I248-E252 HydrophobicContact CG2-CG 4.07Å; I248-E252 WeakPolarHBondContact CG2-OE1 3.31Å; I248-E252 WeakPolarHBondContact O-CB 3.38Å; I248-E252 VanDerWaalsContact O-CG 3.3Å; I248-E252 WeakPolarHBondContact O-CG 3.39Å; I248-E252 PolarHBondContact O-N 3Å; Q250-E252 VanDerWaalsContact C-N 3.32Å; Q250-E252 PolarHBondContact O-N 3.28Å; E252-G254 PolarHBondContact O-N 2.63Å; E252-G254 VanDerWaalsContact O-N 3.16Å
253S82.8Confident76.3Confident83 Ų8360.9 Ų60.958%0.5832%0.321SS*.THydrogen-bonded Turntrans-72.40.9172.281.10000113.3K249 Q250 S255K249-S253 WeakPolarHBondContact O-CB 3.37Å; K249-S253 PolarHBondContact O-N 3.15Å; Q250-S253 PolarHBondContact O-N 3.48Å; Q250-S253 PolarHBondContact O-OG 2.87Å; S253-S255 PolarHBondContact O-N 2.87Å; S253-S255 PolarHBondContact OG-OG 3.43Å
254G72.7Confident75Confident64 Ų6466.2 Ų66.266%0.6635%0.348SS*.THydrogen-bonded Turntrans75.68.1-173.900000113.8Q250 L251 E252Q250-G254 PolarHBondContact O-N 2.99Å; L251-G254 PolarHBondContact O-N 3.12Å; E252-G254 PolarHBondContact O-N 2.63Å; E252-G254 VanDerWaalsContact O-N 3.16Å
255S64.6Low73.5Confident59 Ų5970.8 Ų70.841%0.41337%0.371SS..PPolyproline II helixtrans-81.2126.1174.2-58.30000108.7Q250 L251 S253Q250-S255 CarbonylContact C-O 3.54Å; Q250-S255 WeakPolarHBondContact O-CA 3.44Å; Q250-S255 VanDerWaalsContact O-CB 3.3Å; Q250-S255 WeakPolarHBondContact O-CB 3.3Å; Q250-S255 PolarHBondContact O-N 3.05Å; L251-S255 WeakPolarHBondContact CA-O 3.39Å; S253-S255 PolarHBondContact O-N 2.87Å; S253-S255 PolarHBondContact OG-OG 3.43Å
256L63.2Low72.1Confident88 Ų8870 Ų7046%0.46137%0.367SS..PPolyproline II helixtrans-79.5132.6169-104103.6000110.5L24 L35L24-L256 HydrophobicContact CD1-CD2 3.37Å; L24-L256 HydrophobicContact CD2-CD2 4.17Å; L24-L256 HydrophobicContact CG-CD2 3.74Å; L35-L256 HydrophobicContact CD1-CB 4.05Å; L35-L256 HydrophobicContact CD1-CD1 3.5Å; L35-L256 VanDerWaalsContact CD1-CD1 3.5Å; L35-L256 HydrophobicContact CD1-CD2 3.53Å; L35-L256 HydrophobicContact CD1-CG 3.84Å; L35-L256 HydrophobicContact CG-CD2 4.42Å
257Q67.3Low70.6Confident21 Ų2169.1 Ų69.110%0.09836%0.361CS..PPolyproline II helixtrans-102.8127.3176.4-163.9174.819.100110.5C25 D246 I247 M259C25-Q257 PolarHBondContact N-O 3.42Å; D246-Q257 PolarHBondContact OD2-NE2 2.74Å; I247-Q257 VanDerWaalsContact CB-OE1 3.25Å; Q257-M259 HydrophobicContact CG-CG 4.09Å
258V68.4Low69Low60 Ų6071.9 Ų71.936%0.36438%0.38SS..EExtended strand (participates in β ladder)trans-93.7105.5161.4179.70000106.2F14 N22 Y23 L24F14-V258 HydrophobicContact CB-CG1 4.33Å; F14-V258 HydrophobicContact CD1-CG1 3.95Å; F14-V258 HydrophobicContact CD1-CG2 3.93Å; F14-V258 HydrophobicContact CE1-CG2 3.64Å; F14-V258 HydrophobicContact CE2-CG2 4.47Å; F14-V258 HydrophobicContact CG-CG1 4.13Å; F14-V258 HydrophobicContact CG-CG2 4.48Å; F14-V258 HydrophobicContact CZ-CG2 3.93Å; N22-V258 HydrophobicContact CB-CG1 4.08Å; Y23-V258 WeakPolarHBondContact O-CA 3.49Å; L24-V258 HydrophobicContact CD1-CG2 4.35Å
259M69Low67Low9 Ų978 Ų784%0.04441%0.408CS..EExtended strand (participates in β ladder)trans-83.8130.9176.5-75.6-174.769.100110N22 Y23 L49 L243 I247 Q257 L262N22-M259 CarbonylContact C-O 3.58Å; N22-M259 WeakPolarHBondContact CA-O 3.36Å; Y23-M259 PolarHBondContact N-O 2.82Å; Y23-M259 PolarHBondContact O-N 3.08Å; L49-M259 HydrophobicContact CD2-SD 4.31Å; L243-M259 HydrophobicContact CD1-CE 4.06Å; L243-M259 HydrophobicContact CD2-CE 3.77Å; L243-M259 HydrophobicContact CG-CE 3.97Å; I247-M259 HydrophobicContact CD1-CE 3.48Å; I247-M259 VanDerWaalsContact CD1-CE 3.48Å; I247-M259 HydrophobicContact CD1-CG 4.39Å; I247-M259 HydrophobicContact CD1-SD 3.18Å; I247-M259 WeakPolarHBondContact CD1-SD 3.25Å; I247-M259 HydrophobicContact CG1-CE 4.22Å; I247-M259 HydrophobicContact CG1-CG 4.26Å; I247-M259 HydrophobicContact CG1-SD 3.61Å; Q257-M259 HydrophobicContact CG-CG 4.09Å; M259-L262 HydrophobicContact CE-CD2 3.54Å; M259-L262 HydrophobicContact CE-CG 4.47Å; M259-L262 HydrophobicContact SD-CD2 3.91Å
260K66.2Low64.8Low163 Ų16384.2 Ų84.271%0.70943%0.43SS*.EExtended strand (participates in β ladder)trans-89120.5166.7-56.3-151.8172.3-178.80109.5N22N22-K260 VanDerWaalsContact OD1-CA 3.25Å; N22-K260 WeakPolarHBondContact OD1-CA 3.09Å; N22-K260 WeakPolarHBondContact OD1-CB 3.43Å; N22-K260 WeakPolarHBondContact OD1-CG 3.49Å
261R67.3Low63.8Low188 Ų18885.6 Ų85.671%0.70944%0.438SS*.  trans58.499.7170.1-144.4179.6-164.7-173.44.5113.4E21E21-R261 HydrophobicContact CB-CG 4.36Å; E21-R261 WeakPolarHBondContact O-CA 3.48Å; E21-R261 PolarHBondContact O-N 3.12Å
262L65.8Low62.8Low8 Ų889.1 Ų89.14%0.04246%0.456CS..  trans-67.3134.8171.6-76.4164.1000109.4A8 Y23 L49 W240 M259 I264 A266 I267A8-L262 HydrophobicContact CB-CD1 4.22Å; Y23-L262 HydrophobicContact CD1-CD1 3.97Å; Y23-L262 HydrophobicContact CD2-CD1 3.58Å; Y23-L262 HydrophobicContact CD2-CG 3.83Å; Y23-L262 HydrophobicContact CE1-CD1 4.11Å; Y23-L262 HydrophobicContact CE2-CB 4.37Å; Y23-L262 HydrophobicContact CE2-CD1 3.74Å; Y23-L262 HydrophobicContact CE2-CG 4.09Å; Y23-L262 HydrophobicContact CG-CD1 3.71Å; Y23-L262 HydrophobicContact CG-CG 4.33Å; L49-L262 HydrophobicContact CD1-CD1 4.03Å; L49-L262 HydrophobicContact CD1-CD2 3.88Å; L49-L262 HydrophobicContact CD2-CD2 3.88Å; L49-L262 HydrophobicContact CG-CD2 3.91Å; W240-L262 HydrophobicContact CH2-CD2 4.36Å; M259-L262 HydrophobicContact CE-CD2 3.54Å; M259-L262 HydrophobicContact CE-CG 4.47Å; M259-L262 HydrophobicContact SD-CD2 3.91Å; L262-I264 PolarHBondContact O-N 2.93Å; L262-A266 HydrophobicContact CB-CB 4.44Å; L262-A266 HydrophobicContact CD2-CB 4.28Å; L262-I267 HydrophobicContact CB-CD1 3.84Å; L262-I267 HydrophobicContact CB-CG1 3.95Å; L262-I267 HydrophobicContact CD1-CD1 4.12Å; L262-I267 HydrophobicContact CD1-CG1 4.02Å
263P63.7Low61.6Low44 Ų4486.9 Ų86.929%0.28645%0.448SS..  trans-54.2141.4169.1-23.734000109.5W240 L243 I265 A266W240-P263 HydrophobicContact CE3-CG 3.74Å; W240-P263 HydrophobicContact CZ3-CG 4.08Å; L243-P263 HydrophobicContact CD2-CG 4.02Å; P263-I265 PolarHBondContact O-N 2.82Å; P263-A266 HydrophobicContact CB-CB 4.44Å; P263-A266 WeakPolarHBondContact O-CB 3.47Å; P263-A266 PolarHBondContact O-N 3.44Å
264I59Low60.3Low163 Ų16387.2 Ų87.284%0.83644%0.44SS*.G310 helixtrans-54.2-32.6-179.2-65.8172.1000111.4L262 A266L262-I264 PolarHBondContact O-N 2.93Å; I264-A266 PolarHBondContact O-N 2.54Å
265I56.1Low59.5Low97 Ų9788.6 Ų88.650%0.49743%0.426SS..G310 helixtrans-66-18178.6-56.5168.6000112.4P263P263-I265 PolarHBondContact O-N 2.82Å
266A56.4Low59.2Low0 Ų090.6 Ų90.60%043%0.427CS..G310 helixtrans-86-15-171.100000115.1L49 M50 W240 L262 P263 I264L49-A266 WeakPolarHBondContact CA-O 3.27Å; M50-A266 PolarHBondContact N-O 3.18Å; W240-A266 HydrophobicContact CD2-CB 4.23Å; W240-A266 HydrophobicContact CE3-CB 4.18Å; W240-A266 HydrophobicContact CH2-CB 3.3Å; W240-A266 HydrophobicContact CZ2-CB 3.33Å; W240-A266 HydrophobicContact CZ3-CB 3.75Å; L262-A266 HydrophobicContact CB-CB 4.44Å; L262-A266 HydrophobicContact CD2-CB 4.28Å; P263-A266 HydrophobicContact CB-CB 4.44Å; P263-A266 WeakPolarHBondContact O-CB 3.47Å; P263-A266 PolarHBondContact O-N 3.44Å; I264-A266 PolarHBondContact O-N 2.54Å
267I53.2Low58.9Low48 Ų4890.8 Ų90.825%0.24643%0.425CS..EExtended strand (participates in β ladder)trans-109.1117.8-163.4-56.8178.7000110.6V47 L262 Q269V47-I267 HydrophobicContact CG1-CB 4.11Å; V47-I267 HydrophobicContact CG1-CG1 4.19Å; V47-I267 HydrophobicContact CG1-CG2 3.47Å; V47-I267 VanDerWaalsContact CG1-CG2 3.47Å; V47-I267 HydrophobicContact CG2-CG2 4.33Å; L262-I267 HydrophobicContact CB-CD1 3.84Å; L262-I267 HydrophobicContact CB-CG1 3.95Å; L262-I267 HydrophobicContact CD1-CD1 4.12Å; L262-I267 HydrophobicContact CD1-CG1 4.02Å; I267-Q269 HydrophobicContact CG2-CG 3.8Å
268C51.4Low58.3Low57 Ų5796.2 Ų96.239%0.38545%0.45SS..EExtended strand (participates in β ladder)trans-100.2117.4155-93.90000108.5M50M50-C268 HydrophobicContact CG-CB 4.16Å; M50-C268 HydrophobicContact SD-CB 3.97Å; M50-C268 PolarHBondContact SD-SG 2.97Å
269Q42.5Very low57.4Low150 Ų15099.2 Ų99.270%0.70146%0.457SS*.  trans-88.2132166.3-67.6-179.3-2000108.2I267I267-Q269 HydrophobicContact CG2-CG 3.8Å
270Y38.8Very low56.4Low263 Ų263107.4 Ų107.4100%1.03150%0.495SS*.  trans-87.90167.6-79.9-79.4000110.2

Retrieved 270 of 270 residues in 191 ms (Link to these results)

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