A0A077Z172_TRITR Loading...

Receptor type tyrosine protein phosphatase

AlphaFold DB , UniProt , Accession A0A077Z172, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 295 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
1M76.8Confident91Very high103 Ų10387.5 Ų87.551%0.50743%0.426SS..  0-60.40-172.6170.960.800112.2L3 R4 L5 A274 L275M1-L3 PolarHBondContact O-N 3Å; M1-R4 WeakPolarHBondContact O-CB 3.1Å; M1-R4 PolarHBondContact O-N 3.02Å; M1-R4 VanDerWaalsContact O-N 3.17Å; M1-L5 HydrophobicContact CG-CD1 4.22Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-L5 VanDerWaalsContact O-N 3.07Å; M1-A274 HydrophobicContact CE-CB 4.04Å; M1-L275 HydrophobicContact CE-CD1 4.34Å; M1-L275 HydrophobicContact CE-CD2 3.47Å; M1-L275 VanDerWaalsContact CE-CD2 3.47Å; M1-L275 HydrophobicContact CE-CG 3.56Å; M1-L275 HydrophobicContact CG-CD2 4.43Å; M1-L275 HydrophobicContact SD-CD2 3.97Å; M1-L275 HydrophobicContact SD-CG 4.31Å
2V78.7Confident91.6Very high44 Ų4480.9 Ų80.927%0.26739%0.394SS..Hα-helixtrans-57.7-41.9-176.2177.40000113.6R4 L5 R6 I244 A278V2-R4 PolarHBondContact O-N 3.01Å; V2-L5 PolarHBondContact O-N 3.31Å; V2-R6 PolarHBondContact O-N 3.41Å; V2-I244 HydrophobicContact CG1-CD1 4.11Å; V2-A278 HydrophobicContact CG1-CB 4.35Å; V2-A278 HydrophobicContact CG2-CB 3.86Å
3L85.9Confident91.9Very high131 Ų13178.2 Ų78.269%0.68639%0.386SS*.Hα-helixtrans-59.2-46.9176.1-69.5173.3000112.3M1 L5 R6 E7M1-L3 PolarHBondContact O-N 3Å; L3-L5 VanDerWaalsContact C-N 3.3Å; L3-L5 PolarHBondContact O-N 2.73Å; L3-R6 WeakPolarHBondContact O-CB 3.08Å; L3-R6 PolarHBondContact O-N 3.42Å; L3-R6 VanDerWaalsContact O-N 3.08Å; L3-E7 PolarHBondContact O-N 3.5Å
4R92.5Very high92.2Very high185 Ų18576 Ų7670%0.69839%0.394SS*.Hα-helixtrans-58.9-39.6174.8-177.4-177.5172.2-174.9-1112.3M1 V2 E7 E8M1-R4 WeakPolarHBondContact O-CB 3.1Å; M1-R4 PolarHBondContact O-N 3.02Å; M1-R4 VanDerWaalsContact O-N 3.17Å; V2-R4 PolarHBondContact O-N 3.01Å; R4-E7 PolarHBondContact O-N 2.97Å; R4-E8 WeakPolarHBondContact O-CB 3.19Å; R4-E8 PolarHBondContact O-N 2.89Å
5L93Very high92.4Very high11 Ų1180.3 Ų80.36%0.05840%0.403CS..Hα-helixtrans-69.4-33.3176.6-65.6178.7000112.2M1 V2 L3 Y9 I240 I244 Y247 L275M1-L5 HydrophobicContact CG-CD1 4.22Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-L5 VanDerWaalsContact O-N 3.07Å; V2-L5 PolarHBondContact O-N 3.31Å; L3-L5 VanDerWaalsContact C-N 3.3Å; L3-L5 PolarHBondContact O-N 2.73Å; L5-Y9 VanDerWaalsContact O-CB 3.25Å; L5-Y9 WeakPolarHBondContact O-CB 3.32Å; L5-Y9 PolarHBondContact O-N 3.21Å; L5-I240 WeakPolarHBondContact O-CD1 3.4Å; L5-I244 HydrophobicContact CB-CG1 4.13Å; L5-I244 HydrophobicContact CD1-CG1 3.9Å; L5-I244 HydrophobicContact CD1-CG2 4.49Å; L5-Y247 HydrophobicContact CD1-CD2 4.44Å; L5-Y247 HydrophobicContact CD1-CG 4.47Å; L5-Y247 HydrophobicContact CD2-CD1 4.25Å; L5-Y247 HydrophobicContact CD2-CD2 3.82Å; L5-Y247 HydrophobicContact CD2-CE1 4.01Å; L5-Y247 HydrophobicContact CD2-CE2 3.55Å; L5-Y247 HydrophobicContact CD2-CG 4.17Å; L5-L275 HydrophobicContact CD1-CD2 3.57Å
6R92.8Very high92.7Very high121 Ų12177 Ų7746%0.45739%0.389SS..Hα-helixtrans-64.7-45.6172.1-78.4175.3-176.2-84.3-3.7111.7V2 L3 Y9 S10 I240V2-R6 PolarHBondContact O-N 3.41Å; L3-R6 WeakPolarHBondContact O-CB 3.08Å; L3-R6 PolarHBondContact O-N 3.42Å; L3-R6 VanDerWaalsContact O-N 3.08Å; R6-Y9 PolarHBondContact O-N 3.38Å; R6-S10 PolarHBondContact O-N 3.38Å; R6-I240 HydrophobicContact CG-CD1 4.01Å; R6-I240 HydrophobicContact CG-CG1 3.78Å
7E95.8Very high92.9Very high126 Ų12677.5 Ų77.559%0.58939%0.393SS*.Hα-helixtrans-62.6-44.7174.5-72.1168.4-172.400111.4L3 R4 Y9 S10 T11L3-E7 PolarHBondContact O-N 3.5Å; R4-E7 PolarHBondContact O-N 2.97Å; E7-Y9 VanDerWaalsContact C-N 3.35Å; E7-Y9 PolarHBondContact O-N 2.93Å; E7-S10 PolarHBondContact O-N 2.88Å; E7-S10 PolarHBondContact O-OG 3.31Å; E7-T11 WeakPolarHBondContact O-CG2 3.19Å; E7-T11 PolarHBondContact O-N 3.13Å
8E96.2Very high93Very high33 Ų3378.6 Ų78.615%0.15440%0.404CS..Hα-helixtrans-61.1-45.4177-169.8179.789.900111.7R4 S10 T11 R223 Y243 Y247R4-E8 WeakPolarHBondContact O-CB 3.19Å; R4-E8 PolarHBondContact O-N 2.89Å; E8-S10 VanDerWaalsContact C-N 3.35Å; E8-S10 PolarHBondContact O-N 3.4Å; E8-T11 PolarHBondContact O-N 2.84Å; E8-T11 PolarHBondContact O-OG1 2.9Å; E8-R223 HydrophobicContact CG-CB 4.17Å; E8-R223 HydrophobicContact CG-CG 3.89Å; E8-Y243 HydrophobicContact CB-CE1 4.46Å; E8-Y243 HydrophobicContact CG-CE1 4.37Å; E8-Y243 VanDerWaalsContact OE1-CE1 3.29Å; E8-Y243 WeakPolarHBondContact OE1-CE1 3.12Å; E8-Y243 VanDerWaalsContact OE1-CZ 3.29Å; E8-Y243 PolarHBondContact OE1-OH 2.87Å; E8-Y247 PolarHBondContact OE1-OH 3.14Å; E8-Y247 PolarHBondContact OE2-OH 3.47Å
9Y96.1Very high93.3Very high40 Ų4078.8 Ų78.816%0.15741%0.409CS..Hα-helixtrans-61.8-39.1177.2179.8-101000112.8L5 R6 E7 T11 L12 R230 V237 Q238 I240 Y243L5-Y9 VanDerWaalsContact O-CB 3.25Å; L5-Y9 WeakPolarHBondContact O-CB 3.32Å; L5-Y9 PolarHBondContact O-N 3.21Å; R6-Y9 PolarHBondContact O-N 3.38Å; E7-Y9 VanDerWaalsContact C-N 3.35Å; E7-Y9 PolarHBondContact O-N 2.93Å; Y9-T11 PolarHBondContact O-N 3.5Å; Y9-L12 HydrophobicContact CD2-CD1 3.59Å; Y9-L12 HydrophobicContact CE2-CD1 4.02Å; Y9-L12 HydrophobicContact CG-CD1 4.36Å; Y9-L12 WeakPolarHBondContact O-CB 3.29Å; Y9-L12 WeakPolarHBondContact O-CG 3.41Å; Y9-L12 PolarHBondContact O-N 3.15Å; Y9-L12 VanDerWaalsContact O-N 3.14Å; Y9-R230 PolarHBondContact OH-NH2 3.42Å; Y9-V237 WeakPolarHBondContact CE2-O 3.39Å; Y9-V237 PolarHBondContact OH-O 2.82Å; Y9-Q238 PolarHBondContact OH-O 3.05Å; Y9-I240 HydrophobicContact CD1-CB 4.23Å; Y9-I240 HydrophobicContact CD1-CD1 4.37Å; Y9-I240 HydrophobicContact CG-CD1 3.98Å; Y9-Y243 HydrophobicContact CD2-CD1 4.07Å; Y9-Y243 AromaticContact CD2-CD2 3.91Å; Y9-Y243 HydrophobicContact CD2-CD2 3.91Å; Y9-Y243 AromaticContact CD2-CG 3.6Å; Y9-Y243 HydrophobicContact CD2-CG 3.6Å; Y9-Y243 HydrophobicContact CE2-CG 4.42Å; Y9-Y243 HydrophobicContact CG-CD1 4.44Å; Y9-Y243 HydrophobicContact CG-CG 4.38Å
10S95.9Very high93.5Very high92 Ų9279.8 Ų79.864%0.64341%0.412SS*.Hα-helixtrans-68.2-19.7179.669.80000113.2R6 E7 E8 L12R6-S10 PolarHBondContact O-N 3.38Å; E7-S10 PolarHBondContact O-N 2.88Å; E7-S10 PolarHBondContact O-OG 3.31Å; E8-S10 VanDerWaalsContact C-N 3.35Å; E8-S10 PolarHBondContact O-N 3.4Å; S10-L12 VanDerWaalsContact C-N 3.35Å
11T97.1Very high93.7Very high76 Ų7676.2 Ų76.247%0.46639%0.394SS..THydrogen-bonded Turntrans-83.2-7.5174.469.80000114.2E7 E8 Y9 R223E7-T11 WeakPolarHBondContact O-CG2 3.19Å; E7-T11 PolarHBondContact O-N 3.13Å; E8-T11 PolarHBondContact O-N 2.84Å; E8-T11 PolarHBondContact O-OG1 2.9Å; Y9-T11 PolarHBondContact O-N 3.5Å; T11-R223 VanDerWaalsContact OG1-CZ 3.31Å; T11-R223 PolarHBondContact OG1-NE 3.22Å; T11-R223 PolarHBondContact OG1-NH2 2.74Å
12L97.8Very high94.7Very high9 Ų977.6 Ų77.65%0.04740%0.397CS..SBendtrans-68.8148.6177.4-67.3170.2000110.4Y9 S10 G14 R223 V226 Q227 Y243Y9-L12 HydrophobicContact CD2-CD1 3.59Å; Y9-L12 HydrophobicContact CE2-CD1 4.02Å; Y9-L12 HydrophobicContact CG-CD1 4.36Å; Y9-L12 WeakPolarHBondContact O-CB 3.29Å; Y9-L12 WeakPolarHBondContact O-CG 3.41Å; Y9-L12 PolarHBondContact O-N 3.15Å; Y9-L12 VanDerWaalsContact O-N 3.14Å; S10-L12 VanDerWaalsContact C-N 3.35Å; L12-G14 PolarHBondContact O-N 2.92Å; L12-R223 HydrophobicContact CD2-CG 4.13Å; L12-V226 HydrophobicContact CD1-CB 4.41Å; L12-V226 HydrophobicContact CD1-CG1 3.69Å; L12-V226 HydrophobicContact CD2-CB 4.34Å; L12-V226 HydrophobicContact CD2-CG1 4.26Å; L12-Q227 HydrophobicContact CD2-CB 4.07Å; L12-Y243 HydrophobicContact CD1-CD2 4.11Å; L12-Y243 HydrophobicContact CD1-CE2 3.81Å
13P96.5Very high95.6Very high45 Ų4576.2 Ų76.229%0.29239%0.39SS..  trans-50.5133.3178.2-27.434.5000112.2Q227 R230P13-Q227 HydrophobicContact CG-CG 4.01Å; P13-R230 HydrophobicContact CB-CB 4.32Å; P13-R230 HydrophobicContact CG-CB 4.49Å; P13-R230 WeakPolarHBondContact O-CD 3.46Å; P13-R230 PolarHBondContact O-NH1 3.18Å
14G95.5Very high96.2Very high48 Ų4870.3 Ų70.350%0.49536%0.359SS..  trans-88-145.6-178.100000113.1L12 L235L12-G14 PolarHBondContact O-N 2.92Å; G14-L235 WeakPolarHBondContact O-CD2 3.37Å
15R96.1Very high96.5Very high141 Ų14165.5 Ų65.553%0.53235%0.347SS..SBendtrans-64.5133.1172.5-166.8178.6-173101.72.6108.7D37 P39R15-D37 PolarHBondContact NH1-O 3.07Å; R15-P39 HydrophobicContact CG-CG 4.41Å
16P96.5Very high96.7Very high27 Ų2766.9 Ų66.918%0.17536%0.357CS..PPolyproline II helixtrans-67.3163.4176.430.9-37.3000111.4E20 P39 L41 A234P16-E20 HydrophobicContact CB-CB 4.1Å; P16-P39 HydrophobicContact CG-CB 3.99Å; P16-P39 HydrophobicContact CG-CG 3.78Å; P16-L41 HydrophobicContact CB-CD2 3.59Å; P16-L41 HydrophobicContact CG-CD2 3.7Å; P16-A234 HydrophobicContact CG-CB 4.12Å
17D96.4Very high96.8Very high86 Ų8669.4 Ų69.446%0.4637%0.374SS..PPolyproline II helixtrans-64.7152.6171.8-174.5-92.1000110.7T19 E20D17-T19 PolarHBondContact O-N 3.39Å; D17-T19 VanDerWaalsContact O-N 3.14Å; D17-T19 VanDerWaalsContact OD1-CB 3.24Å; D17-T19 WeakPolarHBondContact OD1-CB 3.4Å; D17-T19 VanDerWaalsContact OD1-CG2 3.26Å; D17-T19 WeakPolarHBondContact OD1-CG2 3.44Å; D17-T19 PolarHBondContact OD1-N 2.86Å; D17-T19 PolarHBondContact OD1-OG1 2.95Å; D17-E20 HydrophobicContact CB-CG 4.38Å; D17-E20 PolarHBondContact N-OE2 3.32Å; D17-E20 WeakPolarHBondContact O-CB 3.44Å; D17-E20 PolarHBondContact O-N 2.86Å
18V95.2Very high96.8Very high96 Ų9669.7 Ų69.758%0.58238%0.379SS*.G310 helixtrans-58.1-28.7178.6-64.80000112.6E20 A21 L25V18-E20 PolarHBondContact O-N 3.05Å; V18-A21 PolarHBondContact O-N 2.98Å; V18-L25 HydrophobicContact CB-CD1 3.84Å; V18-L25 HydrophobicContact CG1-CD1 4.02Å
19T97Very high96.9Very high83 Ų8368.6 Ų68.651%0.50938%0.375SS..G310 helixtrans-70.9-16.8177.561.30000113.7D17 K22D17-T19 PolarHBondContact O-N 3.39Å; D17-T19 VanDerWaalsContact O-N 3.14Å; D17-T19 VanDerWaalsContact OD1-CB 3.24Å; D17-T19 WeakPolarHBondContact OD1-CB 3.4Å; D17-T19 VanDerWaalsContact OD1-CG2 3.26Å; D17-T19 WeakPolarHBondContact OD1-CG2 3.44Å; D17-T19 PolarHBondContact OD1-N 2.86Å; D17-T19 PolarHBondContact OD1-OG1 2.95Å; T19-K22 WeakPolarHBondContact O-CE 3.14Å
20E97.9Very high96.9Very high99 Ų9972 Ų7246%0.46339%0.393SS..G310 helixtrans-94.2-5.8179.1-60.4179.48600113.2P16 D17 V18 L41 D42P16-E20 HydrophobicContact CB-CB 4.1Å; D17-E20 HydrophobicContact CB-CG 4.38Å; D17-E20 PolarHBondContact N-OE2 3.32Å; D17-E20 WeakPolarHBondContact O-CB 3.44Å; D17-E20 PolarHBondContact O-N 2.86Å; V18-E20 PolarHBondContact O-N 3.05Å; E20-L41 HydrophobicContact CB-CD2 4.33Å; E20-D42 WeakPolarHBondContact O-CB 3.32Å; E20-D42 PolarHBondContact O-N 3.28Å
21A97.8Very high97Very high4 Ų472.5 Ų72.53%0.03339%0.388CS..  trans-13736.4-175.800000112.3V18 A23 F24 L25 P39V18-A21 PolarHBondContact O-N 2.98Å; A21-A23 VanDerWaalsContact C-N 3.35Å; A21-A23 PolarHBondContact O-N 3.32Å; A21-F24 HydrophobicContact CB-CB 4.28Å; A21-F24 HydrophobicContact CB-CD1 4.41Å; A21-F24 WeakPolarHBondContact O-CB 3.48Å; A21-F24 PolarHBondContact O-N 3.28Å; A21-L25 WeakPolarHBondContact O-CG 3.35Å; A21-L25 PolarHBondContact O-N 2.86Å; A21-P39 HydrophobicContact CB-CB 4.28Å
22K98.2Very high97.1Very high133 Ų13370.1 Ų70.158%0.57837%0.372SS*.Hα-helixtrans-61.1-40.1-177.2-60.4178.3-177.91780112.2T19 F24 L25 S26 D42T19-K22 WeakPolarHBondContact O-CE 3.14Å; K22-F24 VanDerWaalsContact C-N 3.34Å; K22-L25 PolarHBondContact O-N 2.82Å; K22-S26 PolarHBondContact O-N 2.73Å; K22-D42 WeakPolarHBondContact CA-OD2 3.32Å; K22-D42 VanDerWaalsContact CB-OD2 3.28Å; K22-D42 WeakPolarHBondContact CB-OD2 3.28Å; K22-D42 PolarHBondContact N-OD2 3.32Å
23A98.1Very high97.1Very high15 Ų1570.5 Ų70.512%0.12437%0.374CS..Hα-helixtrans-66.5-38.7178.900000111.5A21 S26 N29 D42 Y55A21-A23 VanDerWaalsContact C-N 3.35Å; A21-A23 PolarHBondContact O-N 3.32Å; A23-S26 WeakPolarHBondContact O-CB 3.32Å; A23-S26 PolarHBondContact O-N 3.45Å; A23-N29 WeakPolarHBondContact O-CB 3.39Å; A23-N29 PolarHBondContact O-ND2 3.49Å; A23-D42 WeakPolarHBondContact CB-OD1 3.48Å; A23-D42 PolarHBondContact N-OD1 3.47Å; A23-Y55 HydrophobicContact CB-CD2 3.82Å; A23-Y55 HydrophobicContact CB-CE2 4.16Å
24F98.2Very high97.2Very high7 Ų770 Ų703%0.03137%0.366CS..Hα-helixtrans-63.5-40.4174.2167.3-100.1000112.4A21 K22 S26 N33 I36 I38 P39 C40 Y55 H57A21-F24 HydrophobicContact CB-CB 4.28Å; A21-F24 HydrophobicContact CB-CD1 4.41Å; A21-F24 WeakPolarHBondContact O-CB 3.48Å; A21-F24 PolarHBondContact O-N 3.28Å; K22-F24 VanDerWaalsContact C-N 3.34Å; F24-S26 VanDerWaalsContact C-N 3.34Å; F24-N33 HydrophobicContact CD2-CB 4.43Å; F24-N33 VanDerWaalsContact CD2-ND2 3.34Å; F24-N33 WeakPolarHBondContact CD2-ND2 3.22Å; F24-N33 WeakPolarHBondContact CD2-OD1 3.24Å; F24-N33 HydrophobicContact CE2-CB 3.92Å; F24-N33 VanDerWaalsContact CE2-CG 3.47Å; F24-N33 WeakPolarHBondContact CE2-ND2 3.28Å; F24-N33 PolarHBondContact O-ND2 3.2Å; F24-I36 WeakPolarHBondContact CZ-O 3.2Å; F24-I38 WeakPolarHBondContact CE2-O 3.31Å; F24-I38 WeakPolarHBondContact CZ-O 3.4Å; F24-P39 HydrophobicContact CD1-CB 4.17Å; F24-P39 HydrophobicContact CE1-CB 4.22Å; F24-C40 HydrophobicContact CB-CB 3.97Å; F24-C40 HydrophobicContact CD2-CB 4.24Å; F24-C40 HydrophobicContact CG-CB 4.42Å; F24-Y55 HydrophobicContact CB-CE2 4.48Å; F24-Y55 WeakPolarHBondContact CD2-OH 3.45Å; F24-H57 AromaticContact CD2-NE2 3.97Å; F24-H57 AromaticContact CE2-NE2 3.83Å
25L97.5Very high97.3Very high83 Ų8370.9 Ų70.944%0.43536%0.355SS..Hα-helixtrans-81.8-7.5-179.4-65172.9000114.1V18 A21 K22V18-L25 HydrophobicContact CB-CD1 3.84Å; V18-L25 HydrophobicContact CG1-CD1 4.02Å; A21-L25 WeakPolarHBondContact O-CG 3.35Å; A21-L25 PolarHBondContact O-N 2.86Å; K22-L25 PolarHBondContact O-N 2.82Å
26S97.4Very high97.3Very high40 Ų4071 Ų7128%0.2837%0.365SS..  trans-65.8135179.7178.90000111.2K22 A23 F24 L28 N29 M30K22-S26 PolarHBondContact O-N 2.73Å; A23-S26 WeakPolarHBondContact O-CB 3.32Å; A23-S26 PolarHBondContact O-N 3.45Å; F24-S26 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 3.11Å; S26-L28 VanDerWaalsContact O-N 3.11Å; S26-L28 PolarHBondContact OG-N 3.42Å; S26-N29 PolarHBondContact O-N 3.43Å; S26-M30 WeakPolarHBondContact O-CG 3.38Å; S26-M30 PolarHBondContact O-N 2.9Å
27Q96.3Very high97.3Very high174 Ų17473.6 Ų73.681%0.81338%0.377SS*.G310 helixtrans-55.2-30.8175.8-70.9-177.4-100112.8N29Q27-N29 PolarHBondContact O-N 2.83Å
28L96.2Very high97.4Very high132 Ų13269.8 Ų69.869%0.69136%0.356SS*.G310 helixtrans-69-14.7178.7-63175.5000114S26S26-L28 PolarHBondContact O-N 3.11Å; S26-L28 VanDerWaalsContact O-N 3.11Å; S26-L28 PolarHBondContact OG-N 3.42Å
29N97.9Very high97.5Very high11 Ų1165.3 Ų65.36%0.05933%0.329CS..G310 helixtrans-123.2-3.6-171.1-65.6-29.2000113.6A23 S26 Q27 D31 K32 N33 V53 Y55A23-N29 WeakPolarHBondContact O-CB 3.39Å; A23-N29 PolarHBondContact O-ND2 3.49Å; S26-N29 PolarHBondContact O-N 3.43Å; Q27-N29 PolarHBondContact O-N 2.83Å; N29-D31 VanDerWaalsContact C-N 3.31Å; N29-D31 PolarHBondContact O-N 3.28Å; N29-K32 WeakPolarHBondContact O-CB 3.45Å; N29-K32 PolarHBondContact O-N 2.94Å; N29-K32 VanDerWaalsContact O-N 3.1Å; N29-N33 PolarHBondContact O-ND2 3.29Å; N29-V53 WeakPolarHBondContact OD1-CG1 3.45Å; N29-Y55 HydrophobicContact CB-CD1 3.57Å; N29-Y55 HydrophobicContact CB-CE1 3.92Å; N29-Y55 HydrophobicContact CB-CG 3.92Å; N29-Y55 VanDerWaalsContact CG-CB 3.45Å; N29-Y55 VanDerWaalsContact CG-CG 3.48Å; N29-Y55 WeakPolarHBondContact ND2-CB 3.45Å; N29-Y55 VanDerWaalsContact OD1-CB 3.32Å; N29-Y55 WeakPolarHBondContact OD1-CB 3.37Å
30M96.3Very high97.6Very high112 Ų11261.3 Ų61.355%0.55231%0.305SS*.G310 helixtrans-61.5-38.4-171.8-69.8-165.7-39.200113.1S26 K32 N33S26-M30 WeakPolarHBondContact O-CG 3.38Å; S26-M30 PolarHBondContact O-N 2.9Å; M30-K32 VanDerWaalsContact C-N 3.27Å; M30-K32 PolarHBondContact O-N 2.89Å; M30-N33 PolarHBondContact O-N 3.25Å
31D97.5Very high97.6Very high101 Ų10157 Ų5754%0.5429%0.285SS..G310 helixtrans-68.4-26.1178.161.9-20.4000112.6N29 N33 L77 I79N29-D31 VanDerWaalsContact C-N 3.31Å; N29-D31 PolarHBondContact O-N 3.28Å; D31-N33 PolarHBondContact O-N 2.97Å; D31-L77 WeakPolarHBondContact O-CD1 3.39Å; D31-I79 HydrophobicContact CB-CD1 4.05Å; D31-I79 WeakPolarHBondContact O-CD1 3.47Å
32K98.4Very high97.6Very high27 Ų2758.7 Ų58.712%0.11729%0.294CS..G310 helixtrans-73-6.4176.1-57.9-171173.2-1510113.8N29 M30 Y55 Q74 T80 D83N29-K32 WeakPolarHBondContact O-CB 3.45Å; N29-K32 PolarHBondContact O-N 2.94Å; N29-K32 VanDerWaalsContact O-N 3.1Å; M30-K32 VanDerWaalsContact C-N 3.27Å; M30-K32 PolarHBondContact O-N 2.89Å; K32-Y55 HydrophobicContact CB-CD1 4.09Å; K32-Y55 HydrophobicContact CB-CE1 4.08Å; K32-Y55 HydrophobicContact CD-CD1 4.03Å; K32-Q74 PolarHBondContact O-NE2 3.27Å; K32-T80 HydrophobicContact CB-CG2 3.88Å; K32-T80 HydrophobicContact CG-CG2 4.17Å; K32-D83 IonicContact NZ-OD1 3.31Å; K32-D83 IonicContact NZ-OD2 3.32Å; K32-D83 PolarHBondContact NZ-OD2 2.89Å
33N98.5Very high97.6Very high16 Ų1661.4 Ų61.49%0.08631%0.305CS..  trans-99.7122-179.5-58.3-44000110.8F24 N29 M30 D31 Y35 Y55 H57F24-N33 HydrophobicContact CD2-CB 4.43Å; F24-N33 VanDerWaalsContact CD2-ND2 3.34Å; F24-N33 WeakPolarHBondContact CD2-ND2 3.22Å; F24-N33 WeakPolarHBondContact CD2-OD1 3.24Å; F24-N33 HydrophobicContact CE2-CB 3.92Å; F24-N33 VanDerWaalsContact CE2-CG 3.47Å; F24-N33 WeakPolarHBondContact CE2-ND2 3.28Å; F24-N33 PolarHBondContact O-ND2 3.2Å; N29-N33 PolarHBondContact O-ND2 3.29Å; M30-N33 PolarHBondContact O-N 3.25Å; D31-N33 PolarHBondContact O-N 2.97Å; N33-Y35 PolarHBondContact O-N 3.42Å; N33-Y55 VanDerWaalsContact OD1-CE1 3.32Å; N33-Y55 WeakPolarHBondContact OD1-CE1 3.38Å; N33-Y55 PolarHBondContact OD1-OH 3.34Å; N33-H57 PolarHBondContact OD1-CD2 2.97Å
34R98.1Very high97.7Very high35 Ų3561.7 Ų61.713%0.13231%0.306CS..SBendtrans-65-29.5176.7-178.5173-76.2-80.33.6112A75 P76 L77 E108R34-A75 PolarHBondContact NE-O 2.87Å; R34-P76 PolarHBondContact NH2-O 2.91Å; R34-L77 HydrophobicContact CB-CD1 4.45Å; R34-L77 HydrophobicContact CB-CD2 4.02Å; R34-L77 HydrophobicContact CB-CG 4.3Å; R34-L77 HydrophobicContact CG-CD2 4.07Å; R34-L77 VanDerWaalsContact CZ-CD2 3.5Å; R34-E108 IonicContact CZ-OE1 2.73Å; R34-E108 IonicContact NH1-OE1 2.91Å; R34-E108 PolarHBondContact NH1-OE1 2.83Å; R34-E108 IonicContact NH2-OE1 3.7Å; R34-E108 PolarHBondContact NH2-OE1 3.35Å
35Y97.8Very high97.7Very high66 Ų6662.8 Ų62.826%0.25931%0.31SS..  trans-138.3123.6-178.1-61-69000110.6N33 D37 I38 S195 A196N33-Y35 PolarHBondContact O-N 3.42Å; Y35-D37 WeakPolarHBondContact CB-OD1 3.49Å; Y35-D37 PolarHBondContact O-N 2.98Å; Y35-I38 HydrophobicContact CD2-CG1 4.39Å; Y35-I38 HydrophobicContact CG-CG1 4.25Å; Y35-I38 PolarHBondContact O-N 2.84Å; Y35-S195 WeakPolarHBondContact CE2-OG 3.21Å; Y35-S195 PolarHBondContact OH-OG 3.02Å; Y35-A196 HydrophobicContact CD2-CB 3.55Å; Y35-A196 HydrophobicContact CE2-CB 3.71Å
36I96.6Very high97.7Very high145 Ų14558.9 Ų58.974%0.74429%0.289SS*.THydrogen-bonded Turntrans-70.8-19.5-17962.7170.5000113.2F24F24-I36 WeakPolarHBondContact CZ-O 3.2Å
37D96.3Very high97.8Very high81 Ų8162.4 Ų62.443%0.43330%0.3SS..THydrogen-bonded Turntrans-93-6.1-17865.7-45.5000112.8R15 Y35 P39R15-D37 PolarHBondContact NH1-O 3.07Å; Y35-D37 WeakPolarHBondContact CB-OD1 3.49Å; Y35-D37 PolarHBondContact O-N 2.98Å; D37-P39 WeakPolarHBondContact O-CD 3.33Å
38I98Very high97.9Very high5 Ų554.3 Ų54.33%0.02626%0.262CS..SBendtrans-106.2105.5-178.8-53.7-51.1000109.7F24 Y35 H57 A196 I198F24-I38 WeakPolarHBondContact CE2-O 3.31Å; F24-I38 WeakPolarHBondContact CZ-O 3.4Å; Y35-I38 HydrophobicContact CD2-CG1 4.39Å; Y35-I38 HydrophobicContact CG-CG1 4.25Å; Y35-I38 PolarHBondContact O-N 2.84Å; I38-H57 PolarHBondContact O-NE2 2.8Å; I38-A196 HydrophobicContact CG1-CB 4.07Å; I38-A196 HydrophobicContact CG2-CB 4.33Å; I38-I198 HydrophobicContact CD1-CD1 3.6Å; I38-I198 HydrophobicContact CG1-CD1 4.36Å; I38-I198 HydrophobicContact CG2-CD1 4.01Å; I38-I198 HydrophobicContact CG2-CG1 4.25Å; I38-I198 HydrophobicContact CG2-CG2 3.84Å
39P97.8Very high98Very high2 Ų254 Ų541%0.01326%0.257CS..  trans-79150.9-174.326.5-27.5000113.3R15 P16 A21 F24 D37 A234R15-P39 HydrophobicContact CG-CG 4.41Å; P16-P39 HydrophobicContact CG-CB 3.99Å; P16-P39 HydrophobicContact CG-CG 3.78Å; A21-P39 HydrophobicContact CB-CB 4.28Å; F24-P39 HydrophobicContact CD1-CB 4.17Å; F24-P39 HydrophobicContact CE1-CB 4.22Å; D37-P39 WeakPolarHBondContact O-CD 3.33Å; P39-A234 HydrophobicContact CG-CB 3.84Å
40C98.6Very high97.8Very high0 Ų061.9 Ų61.90%029%0.293CS..  trans-105.6119167.8-160.40000109.3F24 Y55 H57 N59F24-C40 HydrophobicContact CB-CB 3.97Å; F24-C40 HydrophobicContact CD2-CB 4.24Å; F24-C40 HydrophobicContact CG-CB 4.42Å; C40-Y55 HydrophobicContact CB-CE2 4.2Å; C40-Y55 WeakPolarHBondContact CB-OH 3.47Å; C40-H57 WeakPolarHBondContact CB-ND1 3.41Å; C40-N59 PolarHBondContact SG-OD1 3.01Å
41L98.6Very high97.6Very high9 Ų959.2 Ų59.25%0.04728%0.279CS..  trans-71.7128.4-177.9-67.3171.6000111.4P16 E20 K43 T44 R45 N59 Q231 A234P16-L41 HydrophobicContact CB-CD2 3.59Å; P16-L41 HydrophobicContact CG-CD2 3.7Å; E20-L41 HydrophobicContact CB-CD2 4.33Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 2.98Å; L41-T44 PolarHBondContact O-N 2.82Å; L41-R45 VanDerWaalsContact O-CB 3.32Å; L41-R45 WeakPolarHBondContact O-CB 3.45Å; L41-R45 PolarHBondContact O-N 3.22Å; L41-N59 PolarHBondContact N-ND2 2.95Å; L41-N59 PolarHBondContact O-ND2 2.92Å; L41-Q231 WeakPolarHBondContact CD1-O 3.08Å; L41-A234 HydrophobicContact CD1-CB 4.14Å; L41-A234 HydrophobicContact CD2-CB 4.16Å; L41-A234 HydrophobicContact CG-CB 3.95Å
42D98.6Very high97.4Very high39 Ų3964.7 Ų64.721%0.20930%0.298CS..THydrogen-bonded Turntrans-63.1-37.1178.9-74.8-27.6000112.4E20 K22 A23 T44E20-D42 WeakPolarHBondContact O-CB 3.32Å; E20-D42 PolarHBondContact O-N 3.28Å; K22-D42 WeakPolarHBondContact CA-OD2 3.32Å; K22-D42 VanDerWaalsContact CB-OD2 3.28Å; K22-D42 WeakPolarHBondContact CB-OD2 3.28Å; K22-D42 PolarHBondContact N-OD2 3.32Å; A23-D42 WeakPolarHBondContact CB-OD1 3.48Å; A23-D42 PolarHBondContact N-OD1 3.47Å; D42-T44 VanDerWaalsContact C-N 3.25Å; D42-T44 PolarHBondContact O-N 2.86Å
43K98Very high97.3Very high189 Ų18965.7 Ų65.782%0.82231%0.306SS*.THydrogen-bonded Turntrans-58.5-37.8-176.5-177.7-180177-1770112.5L41L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 2.98Å
44T98.4Very high97.2Very high22 Ų2267.7 Ų67.714%0.13532%0.317CS..THydrogen-bonded Turntrans-119.82.8-171.755.30000112.9L41 D42 N59 W60 Q232L41-T44 PolarHBondContact O-N 2.82Å; D42-T44 VanDerWaalsContact C-N 3.25Å; D42-T44 PolarHBondContact O-N 2.86Å; T44-N59 CarbonylContact O-C 3.59Å; T44-N59 VanDerWaalsContact O-CA 3.31Å; T44-N59 WeakPolarHBondContact O-CA 3.48Å; T44-N59 PolarHBondContact OG1-ND2 3.5Å; T44-W60 PolarHBondContact O-N 2.92Å; T44-Q232 HydrophobicContact CG2-CB 4.29Å; T44-Q232 HydrophobicContact CG2-CG 4.4Å; T44-Q232 PolarHBondContact OG1-O 3.45Å
45R98.6Very high97.3Very high30 Ų3066 Ų6611%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-60.4143.4-178.971.3-179.5-176.687-0.9111.2L41 K47 D54 A58 N59L41-R45 VanDerWaalsContact O-CB 3.32Å; L41-R45 WeakPolarHBondContact O-CB 3.45Å; L41-R45 PolarHBondContact O-N 3.22Å; R45-K47 HydrophobicContact CG-CG 4.37Å; R45-D54 IonicContact CZ-OD1 2.73Å; R45-D54 IonicContact CZ-OD2 3.53Å; R45-D54 VanDerWaalsContact NH1-CG 3.34Å; R45-D54 PolarHBondContact NH1-O 3.26Å; R45-D54 IonicContact NH1-OD1 3.05Å; R45-D54 PolarHBondContact NH1-OD1 2.95Å; R45-D54 IonicContact NH1-OD2 2.86Å; R45-D54 PolarHBondContact NH1-OD2 3.43Å; R45-D54 IonicContact NH2-OD1 3.43Å; R45-D54 PolarHBondContact NH2-OD1 3.41Å; R45-D54 IonicContact NH2-OD2 3.57Å; R45-D54 PolarHBondContact NH2-OD2 2.82Å; R45-A58 CarbonylContact C-O 3.51Å; R45-A58 WeakPolarHBondContact CA-O 3.24Å; R45-N59 WeakPolarHBondContact CA-ND2 3.26Å; R45-N59 PolarHBondContact N-ND2 3.48Å
46V98.7Very high97.3Very high0 Ų063.5 Ų63.50%030%0.302CS..EExtended strand (participates in β ladder)trans-70.4134.5167.1-172.40000107.8I56 A58 W60 I71 M87 E91V46-I56 HydrophobicContact CB-CG2 4.13Å; V46-I56 HydrophobicContact CG1-CG2 4.49Å; V46-A58 HydrophobicContact CB-CB 4.08Å; V46-A58 HydrophobicContact CG2-CB 3.78Å; V46-A58 PolarHBondContact N-O 3.17Å; V46-W60 HydrophobicContact CG2-CD2 4.35Å; V46-W60 HydrophobicContact CG2-CG 4.32Å; V46-I71 HydrophobicContact CG2-CD1 4.09Å; V46-I71 HydrophobicContact CG2-CG1 4.06Å; V46-I71 HydrophobicContact CG2-CG2 3.85Å; V46-M87 HydrophobicContact CB-SD 4.25Å; V46-M87 HydrophobicContact CG1-CG 3.89Å; V46-M87 HydrophobicContact CG1-SD 4.08Å; V46-M87 HydrophobicContact CG2-SD 4.26Å; V46-E91 HydrophobicContact CG1-CG 4.31Å
47K98.6Very high97.4Very high115 Ų11556.7 Ų56.750%0.527%0.267SS..EExtended strand (participates in β ladder)trans-110.5122.4178.8-53.8-168.5177.7172.80109.2R45 Q49 D54 Q90R45-K47 HydrophobicContact CG-CG 4.37Å; K47-Q49 PolarHBondContact O-N 2.97Å; K47-D54 CarbonylContact C-O 3.59Å; K47-D54 WeakPolarHBondContact CA-O 3.12Å; K47-Q90 PolarHBondContact O-NE2 2.86Å
48L98.5Very high97.5Very high4 Ų452.9 Ų52.92%0.02125%0.246CC..  trans-74115.4176.2-52.8179.3000109.2Q51 D54 I56 D83 M87L48-Q51 HydrophobicContact CB-CB 4.09Å; L48-Q51 HydrophobicContact CB-CG 3.74Å; L48-Q51 HydrophobicContact CD1-CG 4.42Å; L48-D54 PolarHBondContact N-O 2.9Å; L48-D54 WeakPolarHBondContact O-CB 3.46Å; L48-I56 HydrophobicContact CD1-CB 4.16Å; L48-I56 HydrophobicContact CD2-CB 4.16Å; L48-I56 HydrophobicContact CD2-CG2 3.72Å; L48-I56 HydrophobicContact CG-CB 4.17Å; L48-I56 HydrophobicContact CG-CG2 3.98Å; L48-D83 HydrophobicContact CD1-CB 3.73Å; L48-M87 HydrophobicContact CD2-CB 3.82Å; L48-M87 HydrophobicContact CD2-CG 4.49Å
49Q97.5Very high97.6Very high125 Ų12552.6 Ų52.658%0.58425%0.245SC*.THydrogen-bonded Turntrans-76.5148.6176.8-61.9175.5-4.100110.1K47 Q51 H86K47-Q49 PolarHBondContact O-N 2.97Å; Q49-Q51 PolarHBondContact O-N 3.25Å; Q49-H86 PolarHBondContact O-CE1 2.93Å; Q49-H86 VanDerWaalsContact O-CE1 3.31Å; Q49-H86 PolarHBondContact O-NE2 3.39Å
50Q94.4Very high97.6Very high176 Ų17655.7 Ų55.782%0.82226%0.257SS*.THydrogen-bonded Turntrans59.725.7177.1-52.1176-14.100113.9
51Q92.8Very high97.4Very high57 Ų5755.9 Ų55.927%0.26626%0.257SS..  trans-113.5147.1174.1-64-58.8-22.700110.4L48 Q49 V53 H86L48-Q51 HydrophobicContact CB-CB 4.09Å; L48-Q51 HydrophobicContact CB-CG 3.74Å; L48-Q51 HydrophobicContact CD1-CG 4.42Å; Q49-Q51 PolarHBondContact O-N 3.25Å; Q51-V53 WeakPolarHBondContact CB-O 3.34Å; Q51-V53 PolarHBondContact O-N 2.79Å; Q51-H86 PolarHBondContact NE2-CE1 2.97Å; Q51-H86 PolarHBondContact NE2-ND1 3.25Å
52K92.7Very high96.9Very high216 Ų21662.1 Ų62.194%0.93929%0.287SS*.SBendtrans-62.5-36.3175.6-175.9179.8178.3-176.50111.6
53V95.6Very high95.9Very high47 Ų4760.4 Ų60.429%0.28528%0.278SS..SBendtrans-118.2113.8173.7176.50000107.1N29 Q51 Y55N29-V53 WeakPolarHBondContact OD1-CG1 3.45Å; Q51-V53 WeakPolarHBondContact CB-O 3.34Å; Q51-V53 PolarHBondContact O-N 2.79Å; V53-Y55 PolarHBondContact O-N 2.83Å
54D97.9Very high94.9Very high58 Ų5855.8 Ų55.831%0.3127%0.267SS..  trans-81.24.3-174.482-15.4000113.8R45 K47 L48R45-D54 IonicContact CZ-OD1 2.73Å; R45-D54 IonicContact CZ-OD2 3.53Å; R45-D54 VanDerWaalsContact NH1-CG 3.34Å; R45-D54 PolarHBondContact NH1-O 3.26Å; R45-D54 IonicContact NH1-OD1 3.05Å; R45-D54 PolarHBondContact NH1-OD1 2.95Å; R45-D54 IonicContact NH1-OD2 2.86Å; R45-D54 PolarHBondContact NH1-OD2 3.43Å; R45-D54 IonicContact NH2-OD1 3.43Å; R45-D54 PolarHBondContact NH2-OD1 3.41Å; R45-D54 IonicContact NH2-OD2 3.57Å; R45-D54 PolarHBondContact NH2-OD2 2.82Å; K47-D54 CarbonylContact C-O 3.59Å; K47-D54 WeakPolarHBondContact CA-O 3.12Å; L48-D54 PolarHBondContact N-O 2.9Å; L48-D54 WeakPolarHBondContact O-CB 3.46Å
55Y98.7Very high93.8Very high0 Ų057 Ų570%027%0.271CS..EExtended strand (participates in β ladder)trans-90.7129.7-171.2-178.7-97.7000112.6A23 F24 N29 K32 N33 C40 V53 H57A23-Y55 HydrophobicContact CB-CD2 3.82Å; A23-Y55 HydrophobicContact CB-CE2 4.16Å; F24-Y55 HydrophobicContact CB-CE2 4.48Å; F24-Y55 WeakPolarHBondContact CD2-OH 3.45Å; N29-Y55 HydrophobicContact CB-CD1 3.57Å; N29-Y55 HydrophobicContact CB-CE1 3.92Å; N29-Y55 HydrophobicContact CB-CG 3.92Å; N29-Y55 VanDerWaalsContact CG-CB 3.45Å; N29-Y55 VanDerWaalsContact CG-CG 3.48Å; N29-Y55 WeakPolarHBondContact ND2-CB 3.45Å; N29-Y55 VanDerWaalsContact OD1-CB 3.32Å; N29-Y55 WeakPolarHBondContact OD1-CB 3.37Å; K32-Y55 HydrophobicContact CB-CD1 4.09Å; K32-Y55 HydrophobicContact CB-CE1 4.08Å; K32-Y55 HydrophobicContact CD-CD1 4.03Å; N33-Y55 VanDerWaalsContact OD1-CE1 3.32Å; N33-Y55 WeakPolarHBondContact OD1-CE1 3.38Å; N33-Y55 PolarHBondContact OD1-OH 3.34Å; C40-Y55 HydrophobicContact CB-CE2 4.2Å; C40-Y55 WeakPolarHBondContact CB-OH 3.47Å; V53-Y55 PolarHBondContact O-N 2.83Å; Y55-H57 HydrophobicContact CE1-CB 4.34Å
56I98.8Very high92.5Very high13 Ų1356.3 Ų56.37%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-135.6146.4160.8-175.4164.6000108V46 L48 A58 D83 F84 M87V46-I56 HydrophobicContact CB-CG2 4.13Å; V46-I56 HydrophobicContact CG1-CG2 4.49Å; L48-I56 HydrophobicContact CD1-CB 4.16Å; L48-I56 HydrophobicContact CD2-CB 4.16Å; L48-I56 HydrophobicContact CD2-CG2 3.72Å; L48-I56 HydrophobicContact CG-CB 4.17Å; L48-I56 HydrophobicContact CG-CG2 3.98Å; I56-A58 HydrophobicContact CG1-CB 4.44Å; I56-A58 HydrophobicContact CG2-CB 4.08Å; I56-A58 PolarHBondContact O-N 3.34Å; I56-D83 HydrophobicContact CD1-CB 4.27Å; I56-F84 HydrophobicContact CD1-CB 4.41Å; I56-M87 HydrophobicContact CD1-CB 4.02Å; I56-M87 HydrophobicContact CD1-CE 4.32Å; I56-M87 HydrophobicContact CD1-SD 3.9Å; I56-M87 HydrophobicContact CG2-SD 4.18Å
57H98.8Very high91.5Very high3 Ų361.8 Ų61.81%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-78.962.1-179.8-165-23.1000112.5F24 N33 I38 C40 Y55 C73 Q74 R233F24-H57 AromaticContact CD2-NE2 3.97Å; F24-H57 AromaticContact CE2-NE2 3.83Å; N33-H57 PolarHBondContact OD1-CD2 2.97Å; I38-H57 PolarHBondContact O-NE2 2.8Å; C40-H57 WeakPolarHBondContact CB-ND1 3.41Å; Y55-H57 HydrophobicContact CE1-CB 4.34Å; H57-C73 WeakPolarHBondContact O-CA 3.32Å; H57-Q74 HydrophobicContact CB-CG 3.99Å; H57-Q74 PolarHBondContact CD2-OE1 3.37Å; H57-Q74 PolarHBondContact O-N 2.89Å; H57-R233 PolarHBondContact CE1-NH2 3.43Å; H57-R233 PolarHBondContact ND1-NH1 2.92Å; H57-R233 PolarHBondContact ND1-NH2 2.61Å; H57-R233 PolarHBondContact O-NH1 3.14Å; H57-R233 VanDerWaalsContact O-NH1 3.11Å; H57-R233 PolarHBondContact O-NH2 3.33Å
58A98.9Very high90.5Very high0 Ų056.9 Ų56.90%028%0.279CS..EExtended strand (participates in β ladder)trans-133.4143.1-178.700000110.3R45 V46 I56 I71 M72 C73 M87R45-A58 CarbonylContact C-O 3.51Å; R45-A58 WeakPolarHBondContact CA-O 3.24Å; V46-A58 HydrophobicContact CB-CB 4.08Å; V46-A58 HydrophobicContact CG2-CB 3.78Å; V46-A58 PolarHBondContact N-O 3.17Å; I56-A58 HydrophobicContact CG1-CB 4.44Å; I56-A58 HydrophobicContact CG2-CB 4.08Å; I56-A58 PolarHBondContact O-N 3.34Å; A58-I71 HydrophobicContact CB-CG2 3.78Å; A58-M72 WeakPolarHBondContact CA-O 3.36Å; A58-C73 HydrophobicContact CB-CB 3.46Å; A58-C73 VanDerWaalsContact CB-CB 3.46Å; A58-M87 HydrophobicContact CB-CE 4.49Å; A58-M87 HydrophobicContact CB-SD 3.6Å
59N98.8Very high90Very high0 Ų062.2 Ų62.20%030%0.303CS..EExtended strand (participates in β ladder)trans-123.8141.8172.9-62.793.4000110.3C40 L41 T44 R45 I71 M72 Q232 R233C40-N59 PolarHBondContact SG-OD1 3.01Å; L41-N59 PolarHBondContact N-ND2 2.95Å; L41-N59 PolarHBondContact O-ND2 2.92Å; T44-N59 CarbonylContact O-C 3.59Å; T44-N59 VanDerWaalsContact O-CA 3.31Å; T44-N59 WeakPolarHBondContact O-CA 3.48Å; T44-N59 PolarHBondContact OG1-ND2 3.5Å; R45-N59 WeakPolarHBondContact CA-ND2 3.26Å; R45-N59 PolarHBondContact N-ND2 3.48Å; N59-I71 WeakPolarHBondContact O-CA 3.36Å; N59-M72 PolarHBondContact N-O 3.14Å; N59-M72 PolarHBondContact O-N 2.72Å; N59-Q232 WeakPolarHBondContact CB-O 3.39Å; N59-R233 HydrophobicContact CB-CB 4.42Å; N59-R233 WeakPolarHBondContact OD1-CD 3.45Å; N59-R233 PolarHBondContact OD1-NH1 3.24Å
60W98.1Very high89.8Confident67 Ų6756.3 Ų56.325%0.25428%0.275SS..EExtended strand (participates in β ladder)trans-64138.7161.2-68.1105.7000110T44 V46 K69 I71 E91 T189T44-W60 PolarHBondContact O-N 2.92Å; V46-W60 HydrophobicContact CG2-CD2 4.35Å; V46-W60 HydrophobicContact CG2-CG 4.32Å; W60-K69 HydrophobicContact CE3-CB 4.37Å; W60-K69 HydrophobicContact CZ3-CB 3.76Å; W60-K69 HydrophobicContact CZ3-CD 4.31Å; W60-I71 HydrophobicContact CD2-CG1 3.98Å; W60-I71 HydrophobicContact CE3-CD1 4.24Å; W60-I71 HydrophobicContact CE3-CG1 3.48Å; W60-I71 VanDerWaalsContact CE3-CG1 3.48Å; W60-I71 HydrophobicContact CH2-CD1 3.67Å; W60-I71 HydrophobicContact CH2-CG1 3.86Å; W60-I71 HydrophobicContact CZ2-CD1 4.07Å; W60-I71 HydrophobicContact CZ2-CG1 4.31Å; W60-I71 HydrophobicContact CZ3-CD1 3.74Å; W60-I71 HydrophobicContact CZ3-CG1 3.39Å; W60-E91 HydrophobicContact CH2-CB 4.11Å; W60-E91 HydrophobicContact CH2-CG 3.99Å; W60-E91 WeakPolarHBondContact CH2-OE2 3.49Å; W60-E91 HydrophobicContact CZ2-CB 4.48Å; W60-E91 VanDerWaalsContact CZ2-CD 3.4Å; W60-E91 HydrophobicContact CZ2-CG 3.86Å; W60-E91 WeakPolarHBondContact CZ2-OE2 3.49Å; W60-T189 HydrophobicContact CH2-CG2 4.03Å; W60-T189 HydrophobicContact CZ3-CG2 3.87Å
61V94.9Very high90Very high3 Ų347.9 Ų47.92%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-131.3113.3174.5179.70000107.6C63 V70 M72 L229 Q232 R233V61-C63 PolarHBondContact O-N 3.4Å; V61-V70 PolarHBondContact N-O 3.41Å; V61-V70 WeakPolarHBondContact O-CB 3.06Å; V61-M72 HydrophobicContact CB-CG 4.47Å; V61-M72 HydrophobicContact CB-SD 4.36Å; V61-M72 HydrophobicContact CG1-SD 4.35Å; V61-M72 HydrophobicContact CG2-CB 3.99Å; V61-M72 HydrophobicContact CG2-CG 3.86Å; V61-M72 HydrophobicContact CG2-SD 3.72Å; V61-L229 HydrophobicContact CG1-CD2 3.31Å; V61-Q232 HydrophobicContact CG2-CB 4.33Å; V61-R233 HydrophobicContact CG2-CB 4.07Å
62E86.9Confident90.2Very high141 Ų14145.2 Ų45.266%0.65922%0.223SC*.EExtended strand (participates in β ladder)trans-68.3121.6171.9-65.4179.1-177.300109.1
63C79.5Confident90.5Very high3 Ų335 Ų352%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-124.275.8171-64.90000107.7V61 E65 L66 V70 R209V61-C63 PolarHBondContact O-N 3.4Å; C63-E65 PolarHBondContact O-N 3.43Å; C63-L66 HydrophobicContact CB-CB 4Å; C63-L66 HydrophobicContact CB-CD1 3.53Å; C63-L66 HydrophobicContact CB-CG 3.83Å; C63-L66 PolarHBondContact O-N 3.33Å; C63-V70 HydrophobicContact CB-CG2 4.23Å; C63-R209 HydrophobicContact CB-CG 4Å
64P75.9Confident90.7Very high92 Ų9233.3 Ų33.360%0.59717%0.168SC*.G310 helixtrans-53-33.8-175.1-25.133.2000112.8L66 N67P64-L66 VanDerWaalsContact C-N 3.27Å; P64-L66 PolarHBondContact O-N 3.24Å; P64-N67 PolarHBondContact O-N 3.31Å
65E76.2Confident90.7Very high47 Ų4730.5 Ų30.522%0.2215%0.153CC..G310 helixtrans-68-29-178.7-5083.5175.100111.9C63 N67 R209 K212C63-E65 PolarHBondContact O-N 3.43Å; E65-N67 VanDerWaalsContact C-N 3.35Å; E65-R209 IonicContact OE1-CZ 3.39Å; E65-R209 IonicContact OE1-NE 2.96Å; E65-R209 PolarHBondContact OE1-NE 2.87Å; E65-R209 IonicContact OE1-NH2 3.88Å; E65-R209 PolarHBondContact OE1-NH2 3.41Å; E65-R209 WeakPolarHBondContact OE2-CG 2.97Å; E65-R209 IonicContact OE2-CZ 2.79Å; E65-R209 IonicContact OE2-NE 2.76Å; E65-R209 PolarHBondContact OE2-NE 3Å; E65-R209 IonicContact OE2-NH2 2.98Å; E65-K212 HydrophobicContact CB-CB 3.75Å; E65-K212 HydrophobicContact CB-CG 3.74Å; E65-K212 WeakPolarHBondContact O-CG 3.42Å
66L71.1Confident90.7Very high15 Ų1530.6 Ų30.68%0.07915%0.154CC..G310 helixtrans-83.5-10.2-176.8-60.9177.6000113.8C63 P64 A68 V70 L181 L208C63-L66 HydrophobicContact CB-CB 4Å; C63-L66 HydrophobicContact CB-CD1 3.53Å; C63-L66 HydrophobicContact CB-CG 3.83Å; C63-L66 PolarHBondContact O-N 3.33Å; P64-L66 VanDerWaalsContact C-N 3.27Å; P64-L66 PolarHBondContact O-N 3.24Å; L66-A68 HydrophobicContact CB-CB 4.29Å; L66-A68 PolarHBondContact O-N 3.29Å; L66-V70 HydrophobicContact CD1-CG2 4.42Å; L66-L181 HydrophobicContact CD1-CD1 4.27Å; L66-L208 HydrophobicContact CD1-CB 3.72Å; L66-L208 HydrophobicContact CD1-CD1 4.16Å; L66-L208 HydrophobicContact CD2-CB 3.9Å; L66-L208 HydrophobicContact CG-CB 4.35Å
67N76Confident90.7Very high116 Ų11631.4 Ų31.462%0.6216%0.158SC*.THydrogen-bonded Turntrans45.945.1-172.8-157.237.2000111.2P64 E65 L187P64-N67 PolarHBondContact O-N 3.31Å; E65-N67 VanDerWaalsContact C-N 3.35Å; N67-L187 HydrophobicContact CB-CD2 4.14Å; N67-L187 WeakPolarHBondContact ND2-CD2 3.12Å; N67-L187 WeakPolarHBondContact O-CD2 3.33Å; N67-L187 WeakPolarHBondContact OD1-CD2 3.38Å
68A77.9Confident90.6Very high11 Ų1135.5 Ų35.59%0.09118%0.18CC..EExtended strand (participates in β ladder)trans-148.2150.8-176.600000109.3L66L66-A68 HydrophobicContact CB-CB 4.29Å; L66-A68 PolarHBondContact O-N 3.29Å
69K88.2Confident90.5Very high117 Ų11740.6 Ų40.651%0.50921%0.206SC..EExtended strand (participates in β ladder)trans-88.1125.2170.1-63.2-175.7178.4-179.10108.4W60 T189 A190W60-K69 HydrophobicContact CE3-CB 4.37Å; W60-K69 HydrophobicContact CZ3-CB 3.76Å; W60-K69 HydrophobicContact CZ3-CD 4.31Å; K69-T189 HydrophobicContact CB-CG2 4.39Å; K69-T189 CarbonylContact O-C 3.52Å; K69-T189 WeakPolarHBondContact O-CA 3.4Å; K69-A190 PolarHBondContact O-N 3.1Å
70V94.1Very high90.5Very high0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-113.8134.5-178.4-177.50000109.8V61 C63 L66 A190 I192V61-V70 PolarHBondContact N-O 3.41Å; V61-V70 WeakPolarHBondContact O-CB 3.06Å; C63-V70 HydrophobicContact CB-CG2 4.23Å; L66-V70 HydrophobicContact CD1-CG2 4.42Å; V70-A190 CarbonylContact C-O 3.55Å; V70-A190 WeakPolarHBondContact CA-O 3.13Å; V70-I192 HydrophobicContact CG1-CD1 3.72Å; V70-I192 HydrophobicContact CG1-CG1 3.95Å
71I97.7Very high90.5Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-109.8126.4169-63.9171000107.5V46 A58 N59 W60 C73 M87 E91 T189 A190 V191 I192V46-I71 HydrophobicContact CG2-CD1 4.09Å; V46-I71 HydrophobicContact CG2-CG1 4.06Å; V46-I71 HydrophobicContact CG2-CG2 3.85Å; A58-I71 HydrophobicContact CB-CG2 3.78Å; N59-I71 WeakPolarHBondContact O-CA 3.36Å; W60-I71 HydrophobicContact CD2-CG1 3.98Å; W60-I71 HydrophobicContact CE3-CD1 4.24Å; W60-I71 HydrophobicContact CE3-CG1 3.48Å; W60-I71 VanDerWaalsContact CE3-CG1 3.48Å; W60-I71 HydrophobicContact CH2-CD1 3.67Å; W60-I71 HydrophobicContact CH2-CG1 3.86Å; W60-I71 HydrophobicContact CZ2-CD1 4.07Å; W60-I71 HydrophobicContact CZ2-CG1 4.31Å; W60-I71 HydrophobicContact CZ3-CD1 3.74Å; W60-I71 HydrophobicContact CZ3-CG1 3.39Å; I71-C73 HydrophobicContact CG2-CB 4.43Å; I71-M87 HydrophobicContact CD1-CG 4.41Å; I71-M87 HydrophobicContact CD1-SD 4.28Å; I71-M87 HydrophobicContact CG2-CE 4.17Å; I71-M87 HydrophobicContact CG2-SD 3.99Å; I71-E91 HydrophobicContact CD1-CB 4.09Å; I71-E91 HydrophobicContact CD1-CG 4.02Å; I71-T189 HydrophobicContact CD1-CG2 3.99Å; I71-T189 HydrophobicContact CG1-CG2 4.35Å; I71-A190 PolarHBondContact N-O 3.32Å; I71-V191 HydrophobicContact CB-CG2 4.05Å; I71-V191 HydrophobicContact CD1-CG2 4.39Å; I71-V191 HydrophobicContact CG2-CG2 4.39Å; I71-V191 CarbonylContact O-C 3.58Å; I71-V191 WeakPolarHBondContact O-CA 3.48Å; I71-I192 PolarHBondContact O-N 3.34Å
72M98.2Very high90.6Very high0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-103.3124.6166.9-73.9178.657.800109.9A58 N59 V61 I192 G197 A205 R233 A236A58-M72 WeakPolarHBondContact CA-O 3.36Å; N59-M72 PolarHBondContact N-O 3.14Å; N59-M72 PolarHBondContact O-N 2.72Å; V61-M72 HydrophobicContact CB-CG 4.47Å; V61-M72 HydrophobicContact CB-SD 4.36Å; V61-M72 HydrophobicContact CG1-SD 4.35Å; V61-M72 HydrophobicContact CG2-CB 3.99Å; V61-M72 HydrophobicContact CG2-CG 3.86Å; V61-M72 HydrophobicContact CG2-SD 3.72Å; M72-I192 WeakPolarHBondContact CA-O 3.42Å; M72-I192 HydrophobicContact CG-CB 4.44Å; M72-G197 VanDerWaalsContact CE-O 3.27Å; M72-G197 WeakPolarHBondContact CE-O 3.48Å; M72-A205 HydrophobicContact SD-CB 3.81Å; M72-R233 HydrophobicContact CB-CG 4.2Å; M72-R233 HydrophobicContact CE-CB 4.36Å; M72-R233 HydrophobicContact CE-CG 3.95Å; M72-R233 PolarHBondContact O-NH1 2.95Å; M72-R233 HydrophobicContact SD-CB 4.48Å; M72-A236 HydrophobicContact CE-CB 4.41Å
73C98.8Very high91.2Very high2 Ų235.2 Ų35.21%0.01418%0.184CC..EExtended strand (participates in β ladder)trans-138.4163.5-177.7710000113H57 A58 I71 I192 H193 G197H57-C73 WeakPolarHBondContact O-CA 3.32Å; A58-C73 HydrophobicContact CB-CB 3.46Å; A58-C73 VanDerWaalsContact CB-CB 3.46Å; I71-C73 HydrophobicContact CG2-CB 4.43Å; C73-I192 PolarHBondContact N-O 3.11Å; C73-H193 WeakPolarHBondContact O-CB 3.45Å; C73-G197 WeakPolarHBondContact O-CA 3.42Å
74Q98.6Very high92.1Very high11 Ų1135.2 Ų35.25%0.05118%0.184CC..PPolyproline II helixtrans-66.1159.2166.475178.431.300110.3K32 H57 S195K32-Q74 PolarHBondContact O-NE2 3.27Å; H57-Q74 HydrophobicContact CB-CG 3.99Å; H57-Q74 PolarHBondContact CD2-OE1 3.37Å; H57-Q74 PolarHBondContact O-N 2.89Å; Q74-S195 WeakPolarHBondContact CA-O 3.48Å
75A98.5Very high93.1Very high0 Ų030.9 Ų30.90%016%0.156CC..PPolyproline II helixtrans-64.8138.8165.900000110.2R34 L77 K109 C194 S195R34-A75 PolarHBondContact NE-O 2.87Å; A75-L77 PolarHBondContact O-N 3.33Å; A75-K109 WeakPolarHBondContact CB-O 3.42Å; A75-C194 WeakPolarHBondContact CA-O 3.4Å; A75-C194 WeakPolarHBondContact CB-O 3.25Å; A75-C194 PolarHBondContact N-O 2.66Å; A75-S195 PolarHBondContact N-O 3.18Å
76P98.6Very high94.2Very high2 Ų229.1 Ų29.11%0.01315%0.148CC..PPolyproline II helixtrans-52.8137.1177.9-27.336.4000112.1R34 F84 Y111 Y113R34-P76 PolarHBondContact NH2-O 2.91Å; P76-F84 HydrophobicContact CB-CB 4.35Å; P76-F84 HydrophobicContact CB-CG 4.43Å; P76-F84 HydrophobicContact CG-CB 3.91Å; P76-F84 HydrophobicContact CG-CD1 3.55Å; P76-F84 HydrophobicContact CG-CD2 3.82Å; P76-F84 HydrophobicContact CG-CE1 3.95Å; P76-F84 HydrophobicContact CG-CE2 4.2Å; P76-F84 HydrophobicContact CG-CG 3.48Å; P76-F84 VanDerWaalsContact CG-CG 3.48Å; P76-F84 HydrophobicContact CG-CZ 4.26Å; P76-Y111 WeakPolarHBondContact O-CB 3.35Å; P76-Y111 PolarHBondContact O-N 2.83Å; P76-Y113 HydrophobicContact CB-CD1 4.21Å; P76-Y113 HydrophobicContact CG-CD1 3.6Å; P76-Y113 HydrophobicContact CG-CE1 4.01Å; P76-Y113 HydrophobicContact CG-CG 4.05Å
77L98.3Very high95.5Very high29 Ų2928.4 Ų28.415%0.15214%0.144CC..PPolyproline II helixtrans-83.8158.9156-59.3163.9000108.4D31 R34 A75 I79 T80 T81D31-L77 WeakPolarHBondContact O-CD1 3.39Å; R34-L77 HydrophobicContact CB-CD1 4.45Å; R34-L77 HydrophobicContact CB-CD2 4.02Å; R34-L77 HydrophobicContact CB-CG 4.3Å; R34-L77 HydrophobicContact CG-CD2 4.07Å; R34-L77 VanDerWaalsContact CZ-CD2 3.5Å; A75-L77 PolarHBondContact O-N 3.33Å; L77-I79 VanDerWaalsContact C-N 3.31Å; L77-I79 HydrophobicContact CB-CG1 4.16Å; L77-I79 PolarHBondContact O-N 2.81Å; L77-T80 WeakPolarHBondContact CA-OG1 3.45Å; L77-T80 HydrophobicContact CB-CG2 4.26Å; L77-T80 WeakPolarHBondContact CB-OG1 3.21Å; L77-T80 HydrophobicContact CD1-CG2 4.21Å; L77-T80 PolarHBondContact N-OG1 2.86Å; L77-T80 CarbonylContact O-C 3.56Å; L77-T80 PolarHBondContact O-N 2.82Å; L77-T80 PolarHBondContact O-OG1 2.62Å; L77-T81 PolarHBondContact O-N 2.98Å; L77-T81 VanDerWaalsContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 2.85Å
78D97.4Very high96.5Very high89 Ų8922.9 Ų22.948%0.47611%0.114SC..G310 helixtrans-45.8-56.8173.3-17112.7000111.2T80 T81 Y111D78-T80 PolarHBondContact O-N 2.89Å; D78-T81 WeakPolarHBondContact O-CB 3.49Å; D78-T81 PolarHBondContact O-N 2.86Å; D78-T81 PolarHBondContact O-OG1 2.86Å; D78-T81 VanDerWaalsContact O-OG1 3.13Å; D78-Y111 HydrophobicContact CB-CD2 3.57Å; D78-Y111 HydrophobicContact CB-CE2 3.48Å; D78-Y111 VanDerWaalsContact CB-CE2 3.48Å; D78-Y111 HydrophobicContact CB-CG 4.27Å; D78-Y111 VanDerWaalsContact CG-CE2 3.45Å; D78-Y111 WeakPolarHBondContact OD1-CE2 3.27Å; D78-Y111 VanDerWaalsContact OD1-CZ 3.32Å; D78-Y111 PolarHBondContact OD1-OH 3.47Å
79I97.2Very high97.4Very high108 Ų10824.1 Ų24.155%0.55412%0.117SC*.G310 helixtrans-64.5-14.1-179.764.4167.3000115.1D31 L77D31-I79 HydrophobicContact CB-CD1 4.05Å; D31-I79 WeakPolarHBondContact O-CD1 3.47Å; L77-I79 VanDerWaalsContact C-N 3.31Å; L77-I79 HydrophobicContact CB-CG1 4.16Å; L77-I79 PolarHBondContact O-N 2.81Å
80T98.2Very high97.8Very high8 Ų820 Ų205%0.04910%0.1CC..G310 helixtrans-108.74.3178.262.70000112.8K32 L77 D78 D83 F84K32-T80 HydrophobicContact CB-CG2 3.88Å; K32-T80 HydrophobicContact CG-CG2 4.17Å; L77-T80 WeakPolarHBondContact CA-OG1 3.45Å; L77-T80 HydrophobicContact CB-CG2 4.26Å; L77-T80 WeakPolarHBondContact CB-OG1 3.21Å; L77-T80 HydrophobicContact CD1-CG2 4.21Å; L77-T80 PolarHBondContact N-OG1 2.86Å; L77-T80 CarbonylContact O-C 3.56Å; L77-T80 PolarHBondContact O-N 2.82Å; L77-T80 PolarHBondContact O-OG1 2.62Å; D78-T80 PolarHBondContact O-N 2.89Å; T80-D83 WeakPolarHBondContact O-CB 3.31Å; T80-D83 PolarHBondContact O-N 2.51Å; T80-F84 WeakPolarHBondContact O-CB 3.09Å; T80-F84 PolarHBondContact O-N 2.92Å
81T98.2Very high97.9Very high0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-68.5-37.6-174.8-57.30000111.8L77 D78 F84 Y85 Y111 F124L77-T81 PolarHBondContact O-N 2.98Å; L77-T81 VanDerWaalsContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 2.85Å; D78-T81 WeakPolarHBondContact O-CB 3.49Å; D78-T81 PolarHBondContact O-N 2.86Å; D78-T81 PolarHBondContact O-OG1 2.86Å; D78-T81 VanDerWaalsContact O-OG1 3.13Å; T81-F84 PolarHBondContact O-N 2.83Å; T81-Y85 HydrophobicContact CG2-CD1 4.4Å; T81-Y85 HydrophobicContact CG2-CE1 4.03Å; T81-Y85 PolarHBondContact O-N 2.8Å; T81-Y111 WeakPolarHBondContact OG1-CD1 3.38Å; T81-F124 HydrophobicContact CG2-CB 4.17Å; T81-F124 HydrophobicContact CG2-CD1 3.95Å; T81-F124 HydrophobicContact CG2-CD2 3.37Å; T81-F124 HydrophobicContact CG2-CE1 4.24Å; T81-F124 HydrophobicContact CG2-CE2 3.67Å; T81-F124 HydrophobicContact CG2-CG 3.54Å; T81-F124 HydrophobicContact CG2-CZ 4.15Å
82E97.4Very high97.7Very high70 Ų7029.4 Ų29.433%0.32714%0.141SC..Hα-helixtrans-63.7-45.7172.4-178.3174.2-164.700111.4F84 Y85 H86 G125 K126 Y127E82-F84 VanDerWaalsContact C-N 3.26Å; E82-F84 PolarHBondContact O-N 3.32Å; E82-Y85 PolarHBondContact O-N 3.36Å; E82-H86 WeakPolarHBondContact O-CB 3.47Å; E82-H86 PolarHBondContact O-N 3.11Å; E82-G125 WeakPolarHBondContact OE1-CA 3.34Å; E82-K126 PolarHBondContact OE1-N 3.49Å; E82-Y127 HydrophobicContact CG-CD2 4.43Å
83D98.4Very high97.5Very high19 Ų1929.5 Ų29.510%0.10214%0.141CC..Hα-helixtrans-57.1-41.4175.5-75.3-20.8000111.4K32 L48 I56 T80 H86 M87K32-D83 IonicContact NZ-OD1 3.31Å; K32-D83 IonicContact NZ-OD2 3.32Å; K32-D83 PolarHBondContact NZ-OD2 2.89Å; L48-D83 HydrophobicContact CD1-CB 3.73Å; I56-D83 HydrophobicContact CD1-CB 4.27Å; T80-D83 WeakPolarHBondContact O-CB 3.31Å; T80-D83 PolarHBondContact O-N 2.51Å; D83-H86 PolarHBondContact O-N 3.34Å; D83-M87 PolarHBondContact O-N 2.89Å
84F98.6Very high97.2Very high4 Ų431.2 Ų31.22%0.01816%0.156CC..Hα-helixtrans-63-48.3176-177.5-109.1000111.4I56 P76 T80 T81 E82 H86 M87 L88 I96 Y113 V191I56-F84 HydrophobicContact CD1-CB 4.41Å; P76-F84 HydrophobicContact CB-CB 4.35Å; P76-F84 HydrophobicContact CB-CG 4.43Å; P76-F84 HydrophobicContact CG-CB 3.91Å; P76-F84 HydrophobicContact CG-CD1 3.55Å; P76-F84 HydrophobicContact CG-CD2 3.82Å; P76-F84 HydrophobicContact CG-CE1 3.95Å; P76-F84 HydrophobicContact CG-CE2 4.2Å; P76-F84 HydrophobicContact CG-CG 3.48Å; P76-F84 VanDerWaalsContact CG-CG 3.48Å; P76-F84 HydrophobicContact CG-CZ 4.26Å; T80-F84 WeakPolarHBondContact O-CB 3.09Å; T80-F84 PolarHBondContact O-N 2.92Å; T81-F84 PolarHBondContact O-N 2.83Å; E82-F84 VanDerWaalsContact C-N 3.26Å; E82-F84 PolarHBondContact O-N 3.32Å; F84-H86 VanDerWaalsContact C-N 3.32Å; F84-H86 PolarHBondContact O-N 3.42Å; F84-M87 HydrophobicContact CD2-CE 3.78Å; F84-M87 HydrophobicContact CE2-CE 3.81Å; F84-M87 WeakPolarHBondContact O-CB 3.45Å; F84-M87 PolarHBondContact O-N 3.16Å; F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CD1-CG 4.35Å; F84-L88 HydrophobicContact CE1-CD1 3.64Å; F84-L88 HydrophobicContact CE1-CD2 4.31Å; F84-L88 HydrophobicContact CE1-CG 4.12Å; F84-L88 HydrophobicContact CE2-CD2 4.37Å; F84-L88 HydrophobicContact CZ-CD1 4.19Å; F84-L88 HydrophobicContact CZ-CD2 4.01Å; F84-L88 HydrophobicContact CZ-CG 4.28Å; F84-L88 WeakPolarHBondContact O-CG 3.43Å; F84-L88 PolarHBondContact O-N 2.87Å; F84-I96 HydrophobicContact CZ-CD1 4.48Å; F84-Y113 HydrophobicContact CD1-CD2 4.22Å; F84-Y113 HydrophobicContact CD1-CE2 4.43Å; F84-Y113 AromaticContact CE1-CD2 3.81Å; F84-Y113 HydrophobicContact CE1-CD2 3.81Å; F84-Y113 HydrophobicContact CE1-CE1 4.42Å; F84-Y113 AromaticContact CE1-CE2 3.58Å; F84-Y113 HydrophobicContact CE1-CE2 3.58Å; F84-Y113 HydrophobicContact CE1-CG 4.37Å; F84-Y113 AromaticContact CE1-CZ 3.9Å; F84-Y113 HydrophobicContact CZ-CE2 4.32Å; F84-V191 HydrophobicContact CE2-CG1 4.18Å; F84-V191 HydrophobicContact CZ-CG1 4.37Å
85Y98.2Very high96.9Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-62.4-39.2176.2-74.87000112.4T81 E82 M87 L88 Y89 Y113 F124 L129 L148T81-Y85 HydrophobicContact CG2-CD1 4.4Å; T81-Y85 HydrophobicContact CG2-CE1 4.03Å; T81-Y85 PolarHBondContact O-N 2.8Å; E82-Y85 PolarHBondContact O-N 3.36Å; Y85-M87 VanDerWaalsContact C-N 3.35Å; Y85-M87 PolarHBondContact O-N 3.16Å; Y85-L88 HydrophobicContact CD1-CD1 4.29Å; Y85-L88 PolarHBondContact O-N 3.09Å; Y85-Y89 PolarHBondContact O-N 2.95Å; Y85-Y113 HydrophobicContact CE1-CD2 4.16Å; Y85-Y113 PolarHBondContact OH-O 3.2Å; Y85-F124 HydrophobicContact CD2-CB 3.98Å; Y85-F124 HydrophobicContact CD2-CD2 4.48Å; Y85-F124 HydrophobicContact CE2-CB 3.96Å; Y85-F124 AromaticContact CE2-CD2 3.69Å; Y85-F124 HydrophobicContact CE2-CD2 3.69Å; Y85-F124 HydrophobicContact CE2-CG 4.31Å; Y85-F124 AromaticContact CZ-CD2 3.85Å; Y85-L129 HydrophobicContact CE1-CD2 3.8Å; Y85-L129 HydrophobicContact CE2-CB 3.92Å; Y85-L129 WeakPolarHBondContact OH-CD2 3.39Å; Y85-L148 HydrophobicContact CD2-CD1 4.29Å; Y85-L148 HydrophobicContact CG-CD1 4.29Å
86H97.8Very high96.8Very high10 Ų1031.5 Ų31.55%0.04616%0.158CC..Hα-helixtrans-59.7-46.4174-173.893.9000111.1Q49 Q51 E82 D83 F84 L88 Y89 Q90 Y127Q49-H86 PolarHBondContact O-CE1 2.93Å; Q49-H86 VanDerWaalsContact O-CE1 3.31Å; Q49-H86 PolarHBondContact O-NE2 3.39Å; Q51-H86 PolarHBondContact NE2-CE1 2.97Å; Q51-H86 PolarHBondContact NE2-ND1 3.25Å; E82-H86 WeakPolarHBondContact O-CB 3.47Å; E82-H86 PolarHBondContact O-N 3.11Å; D83-H86 PolarHBondContact O-N 3.34Å; F84-H86 VanDerWaalsContact C-N 3.32Å; F84-H86 PolarHBondContact O-N 3.42Å; H86-L88 PolarHBondContact O-N 3.06Å; H86-Y89 PolarHBondContact O-N 2.84Å; H86-Q90 PolarHBondContact CD2-OE1 3.21Å; H86-Q90 PolarHBondContact NE2-OE1 3.13Å; H86-Q90 VanDerWaalsContact NE2-OE1 3.13Å; H86-Q90 WeakPolarHBondContact O-CB 3.43Å; H86-Q90 PolarHBondContact O-N 3.31Å; H86-Y127 HydrophobicContact CB-CE2 3.76Å; H86-Y127 AromaticContact ND1-CE2 3.91Å; H86-Y127 AromaticContact ND1-CZ 3.79Å; H86-Y127 PolarHBondContact ND1-OH 2.82Å
87M98.4Very high96.5Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-58.3-46.8174.6-175.5-17470.200111.8V46 L48 I56 A58 I71 D83 F84 Y85 Y89 Q90 E91 V191V46-M87 HydrophobicContact CB-SD 4.25Å; V46-M87 HydrophobicContact CG1-CG 3.89Å; V46-M87 HydrophobicContact CG1-SD 4.08Å; V46-M87 HydrophobicContact CG2-SD 4.26Å; L48-M87 HydrophobicContact CD2-CB 3.82Å; L48-M87 HydrophobicContact CD2-CG 4.49Å; I56-M87 HydrophobicContact CD1-CB 4.02Å; I56-M87 HydrophobicContact CD1-CE 4.32Å; I56-M87 HydrophobicContact CD1-SD 3.9Å; I56-M87 HydrophobicContact CG2-SD 4.18Å; A58-M87 HydrophobicContact CB-CE 4.49Å; A58-M87 HydrophobicContact CB-SD 3.6Å; I71-M87 HydrophobicContact CD1-CG 4.41Å; I71-M87 HydrophobicContact CD1-SD 4.28Å; I71-M87 HydrophobicContact CG2-CE 4.17Å; I71-M87 HydrophobicContact CG2-SD 3.99Å; D83-M87 PolarHBondContact O-N 2.89Å; F84-M87 HydrophobicContact CD2-CE 3.78Å; F84-M87 HydrophobicContact CE2-CE 3.81Å; F84-M87 WeakPolarHBondContact O-CB 3.45Å; F84-M87 PolarHBondContact O-N 3.16Å; Y85-M87 VanDerWaalsContact C-N 3.35Å; Y85-M87 PolarHBondContact O-N 3.16Å; M87-Y89 VanDerWaalsContact C-N 3.33Å; M87-Y89 PolarHBondContact O-N 2.62Å; M87-Q90 PolarHBondContact O-N 2.95Å; M87-E91 HydrophobicContact CG-CG 4.35Å; M87-E91 WeakPolarHBondContact O-CB 3.46Å; M87-E91 WeakPolarHBondContact O-CG 3.34Å; M87-E91 PolarHBondContact O-N 3.32Å; M87-V191 HydrophobicContact CE-CG2 4.03Å
88L97.7Very high96.3Very high0 Ų030.1 Ų30.10%015%0.151CC..Hα-helixtrans-58.1-46.2179.3-66.2-179.9000111.7F84 Y85 H86 K92 V93 I96 L148 Q157 I159 V191F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CD1-CG 4.35Å; F84-L88 HydrophobicContact CE1-CD1 3.64Å; F84-L88 HydrophobicContact CE1-CD2 4.31Å; F84-L88 HydrophobicContact CE1-CG 4.12Å; F84-L88 HydrophobicContact CE2-CD2 4.37Å; F84-L88 HydrophobicContact CZ-CD1 4.19Å; F84-L88 HydrophobicContact CZ-CD2 4.01Å; F84-L88 HydrophobicContact CZ-CG 4.28Å; F84-L88 WeakPolarHBondContact O-CG 3.43Å; F84-L88 PolarHBondContact O-N 2.87Å; Y85-L88 HydrophobicContact CD1-CD1 4.29Å; Y85-L88 PolarHBondContact O-N 3.09Å; H86-L88 PolarHBondContact O-N 3.06Å; L88-K92 PolarHBondContact O-N 3.31Å; L88-V93 HydrophobicContact CB-CB 4.36Å; L88-V93 HydrophobicContact CD2-CB 3.8Å; L88-V93 HydrophobicContact CD2-CG1 3.77Å; L88-V93 HydrophobicContact CD2-CG2 3.87Å; L88-V93 PolarHBondContact O-N 3.46Å; L88-I96 HydrophobicContact CD1-CD1 3.7Å; L88-I96 HydrophobicContact CD2-CD1 3.84Å; L88-I96 HydrophobicContact CD2-CG1 4.08Å; L88-I96 HydrophobicContact CG-CD1 4.44Å; L88-L148 HydrophobicContact CB-CD2 3.65Å; L88-L148 HydrophobicContact CD1-CD2 4.47Å; L88-Q157 PolarHBondContact O-NE2 3.43Å; L88-I159 HydrophobicContact CB-CD1 4.27Å; L88-I159 HydrophobicContact CD1-CD1 4.18Å; L88-V191 HydrophobicContact CD2-CG2 3.86Å
89Y96.8Very high96Very high37 Ų3725.9 Ų25.915%0.14513%0.128CC..Hα-helixtrans-68.1-50.1179.5179.9-92.8000111.9Y85 H86 M87 E91 K92 Y127 K150 N153 Q155 Q157Y85-Y89 PolarHBondContact O-N 2.95Å; H86-Y89 PolarHBondContact O-N 2.84Å; M87-Y89 VanDerWaalsContact C-N 3.33Å; M87-Y89 PolarHBondContact O-N 2.62Å; Y89-E91 VanDerWaalsContact C-N 3.33Å; Y89-E91 PolarHBondContact O-N 2.94Å; Y89-K92 PolarHBondContact O-N 3.06Å; Y89-Y127 HydrophobicContact CD1-CE1 4.04Å; Y89-Y127 HydrophobicContact CD2-CE1 4.17Å; Y89-Y127 AromaticContact CG-CE1 3.64Å; Y89-Y127 HydrophobicContact CG-CE1 3.64Å; Y89-K150 HydrophobicContact CD1-CD 4.13Å; Y89-K150 HydrophobicContact CD2-CB 4.06Å; Y89-K150 HydrophobicContact CE1-CB 4.38Å; Y89-K150 HydrophobicContact CE1-CD 3.62Å; Y89-K150 HydrophobicContact CE2-CB 3.66Å; Y89-K150 HydrophobicContact CE2-CD 4.41Å; Y89-N153 PolarHBondContact OH-ND2 2.83Å; Y89-Q155 HydrophobicContact CE2-CB 4.37Å; Y89-Q155 PolarHBondContact OH-OE1 2.8Å; Y89-Q157 PolarHBondContact O-OE1 2.84Å
90Q96.2Very high95.7Very high32 Ų3220.8 Ų20.815%0.1510%0.102CC..Hα-helixtrans-56.5-47.3-179.5176.1-178.6-57.500111.6K47 H86 M87 K92K47-Q90 PolarHBondContact O-NE2 2.86Å; H86-Q90 PolarHBondContact CD2-OE1 3.21Å; H86-Q90 PolarHBondContact NE2-OE1 3.13Å; H86-Q90 VanDerWaalsContact NE2-OE1 3.13Å; H86-Q90 WeakPolarHBondContact O-CB 3.43Å; H86-Q90 PolarHBondContact O-N 3.31Å; M87-Q90 PolarHBondContact O-N 2.95Å; Q90-K92 VanDerWaalsContact C-N 3.25Å; Q90-K92 PolarHBondContact O-N 3.42Å
91E95.7Very high95.4Very high36 Ų3625.5 Ų25.517%0.16812%0.122CC..THydrogen-bonded Turntrans-88.57.3-174.8-57.5-55.5159.400113.4V46 W60 I71 M87 Y89 V93 T189V46-E91 HydrophobicContact CG1-CG 4.31Å; W60-E91 HydrophobicContact CH2-CB 4.11Å; W60-E91 HydrophobicContact CH2-CG 3.99Å; W60-E91 WeakPolarHBondContact CH2-OE2 3.49Å; W60-E91 HydrophobicContact CZ2-CB 4.48Å; W60-E91 VanDerWaalsContact CZ2-CD 3.4Å; W60-E91 HydrophobicContact CZ2-CG 3.86Å; W60-E91 WeakPolarHBondContact CZ2-OE2 3.49Å; I71-E91 HydrophobicContact CD1-CB 4.09Å; I71-E91 HydrophobicContact CD1-CG 4.02Å; M87-E91 HydrophobicContact CG-CG 4.35Å; M87-E91 WeakPolarHBondContact O-CB 3.46Å; M87-E91 WeakPolarHBondContact O-CG 3.34Å; M87-E91 PolarHBondContact O-N 3.32Å; Y89-E91 VanDerWaalsContact C-N 3.33Å; Y89-E91 PolarHBondContact O-N 2.94Å; E91-V93 HydrophobicContact CB-CG2 4.17Å; E91-V93 PolarHBondContact O-N 3.35Å; E91-T189 HydrophobicContact CB-CG2 4.24Å; E91-T189 WeakPolarHBondContact O-CB 3.41Å; E91-T189 PolarHBondContact O-OG1 2.85Å
92K94.2Very high95.3Very high161 Ų16127.7 Ų27.770%0.714%0.135SC*.THydrogen-bonded Turntrans50.146.9179.4-57.6-179.5-178.3-1800111.8L88 Y89 Q90 A94L88-K92 PolarHBondContact O-N 3.31Å; Y89-K92 PolarHBondContact O-N 3.06Å; Q90-K92 VanDerWaalsContact C-N 3.25Å; Q90-K92 PolarHBondContact O-N 3.42Å; K92-A94 PolarHBondContact O-N 3.25Å
93V94.9Very high95.1Very high1 Ų127.9 Ų27.91%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-63.7124.2-177.8176.30000109.7L88 E91 L95 I96 Q157 I159 T189 V191L88-V93 HydrophobicContact CB-CB 4.36Å; L88-V93 HydrophobicContact CD2-CB 3.8Å; L88-V93 HydrophobicContact CD2-CG1 3.77Å; L88-V93 HydrophobicContact CD2-CG2 3.87Å; L88-V93 PolarHBondContact O-N 3.46Å; E91-V93 HydrophobicContact CB-CG2 4.17Å; E91-V93 PolarHBondContact O-N 3.35Å; V93-L95 VanDerWaalsContact CG1-O 3.25Å; V93-L95 WeakPolarHBondContact CG1-O 3.48Å; V93-I96 HydrophobicContact CG1-CG1 4.11Å; V93-Q157 PolarHBondContact O-NE2 3.07Å; V93-I159 WeakPolarHBondContact O-CG1 3.45Å; V93-T189 WeakPolarHBondContact CA-O 3.44Å; V93-T189 HydrophobicContact CG2-CG2 3.91Å; V93-V191 HydrophobicContact CB-CG2 4.46Å; V93-V191 HydrophobicContact CG1-CB 4.3Å; V93-V191 HydrophobicContact CG1-CG2 3.85Å; V93-V191 HydrophobicContact CG2-CG2 3.78Å
94A92.7Very high94.6Very high38 Ų3829.5 Ų29.531%0.31415%0.148SC..EExtended strand (participates in β ladder)trans-102.3-19.4178.900000112.7K92 I159 T160 P188 T189K92-A94 PolarHBondContact O-N 3.25Å; A94-I159 WeakPolarHBondContact O-CA 3.16Å; A94-T160 PolarHBondContact O-N 3.18Å; A94-P188 HydrophobicContact CB-CB 3.97Å; A94-T189 PolarHBondContact N-O 3.4Å
95L92.4Very high94Very high17 Ų1733.5 Ų33.59%0.08919%0.19CC..EExtended strand (participates in β ladder)trans-138.5135.2-177.3-178.969000111.4V93 T160 I162 L181 A190 V191V93-L95 VanDerWaalsContact CG1-O 3.25Å; V93-L95 WeakPolarHBondContact CG1-O 3.48Å; L95-T160 CarbonylContact C-O 3.6Å; L95-T160 WeakPolarHBondContact CA-O 3.44Å; L95-T160 HydrophobicContact CD1-CG2 3.98Å; L95-I162 HydrophobicContact CD1-CD1 3.8Å; L95-I162 HydrophobicContact CD1-CG1 4.05Å; L95-L181 HydrophobicContact CD2-CD2 3.67Å; L95-L181 HydrophobicContact CD2-CG 3.77Å; L95-A190 HydrophobicContact CB-CB 4.11Å; L95-A190 HydrophobicContact CD2-CB 4.33Å; L95-A190 CarbonylContact O-C 3.56Å; L95-A190 WeakPolarHBondContact O-CA 3.37Å; L95-V191 PolarHBondContact O-N 2.93Å
96I94.9Very high93.7Very high0 Ų037 Ų370%023%0.226CC..EExtended strand (participates in β ladder)trans-120.8119.7169.5-58.9170000108.7F84 L88 V93 I159 T160 I162 V191F84-I96 HydrophobicContact CZ-CD1 4.48Å; L88-I96 HydrophobicContact CD1-CD1 3.7Å; L88-I96 HydrophobicContact CD2-CD1 3.84Å; L88-I96 HydrophobicContact CD2-CG1 4.08Å; L88-I96 HydrophobicContact CG-CD1 4.44Å; V93-I96 HydrophobicContact CG1-CG1 4.11Å; I96-I159 HydrophobicContact CD1-CG2 3.79Å; I96-I159 HydrophobicContact CG1-CG2 3.77Å; I96-T160 PolarHBondContact N-O 3.47Å; I96-I162 PolarHBondContact O-N 3.01Å; I96-V191 CarbonylContact C-O 3.53Å; I96-V191 WeakPolarHBondContact CA-O 3.47Å; I96-V191 HydrophobicContact CG1-CB 4.36Å; I96-V191 HydrophobicContact CG2-CG1 4.48Å
97A92.7Very high93.5Very high3 Ų340 Ų403%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-96.399.7167.500000109.5F178 V191 I192 H193 L204A97-F178 HydrophobicContact CB-CD1 3.89Å; A97-F178 HydrophobicContact CB-CE1 3.55Å; A97-V191 PolarHBondContact N-O 3.32Å; A97-I192 HydrophobicContact CB-CG1 4.21Å; A97-I192 HydrophobicContact CB-CG2 4.36Å; A97-H193 PolarHBondContact O-N 2.72Å; A97-L204 HydrophobicContact CB-CD2 4.29Å
98C94Very high93.4Very high0 Ų044.3 Ų44.30%027%0.265CS..EExtended strand (participates in β ladder)trans-91.8112.1175.5179.90000109.7T100 I162 L163 Y164 H193C98-T100 PolarHBondContact SG-O 3.42Å; C98-T100 VanDerWaalsContact SG-O 3.4Å; C98-I162 PolarHBondContact N-O 3.45Å; C98-L163 HydrophobicContact CB-CD1 4.18Å; C98-L163 WeakPolarHBondContact O-CA 3.29Å; C98-L163 VanDerWaalsContact SG-CD1 3.58Å; C98-Y164 PolarHBondContact O-N 3.21Å; C98-H193 WeakPolarHBondContact CB-NE2 3.5Å; C98-H193 PolarHBondContact SG-CE1 2.78Å; C98-H193 PolarHBondContact SG-NE2 3.33Å; C98-H193 VanDerWaalsContact SG-NE2 3.44Å
99L92.1Very high93.3Very high0 Ų046.5 Ų46.50%028%0.275CS..  trans-105.920.2-172.2-53.1175.5000113.1W167 F178 I192 H193 C194 R200 L204L99-W167 HydrophobicContact CD1-CZ3 4.12Å; L99-F178 HydrophobicContact CD2-CE1 4.44Å; L99-F178 HydrophobicContact CD2-CZ 3.87Å; L99-I192 HydrophobicContact CD1-CG2 3.73Å; L99-I192 HydrophobicContact CG-CG2 4.46Å; L99-H193 WeakPolarHBondContact CB-O 3.34Å; L99-H193 PolarHBondContact N-O 3.21Å; L99-C194 HydrophobicContact CB-CB 4.08Å; L99-R200 HydrophobicContact CB-CB 4.14Å; L99-R200 HydrophobicContact CD1-CB 4.16Å; L99-R200 VanDerWaalsContact O-CD 3.29Å; L99-R200 WeakPolarHBondContact O-CD 3.44Å; L99-R200 VanDerWaalsContact O-CZ 3.23Å; L99-R200 PolarHBondContact O-NE 3.38Å; L99-R200 PolarHBondContact O-NH1 2.91Å; L99-L204 HydrophobicContact CD1-CB 3.99Å; L99-L204 HydrophobicContact CD1-CD2 3.87Å; L99-L204 HydrophobicContact CD2-CD2 3.9Å; L99-L204 HydrophobicContact CG-CD2 4.4Å
100T90.8Very high93.3Very high0 Ų044.7 Ų44.70%027%0.268CS..SBendtrans-144.6145.8-178.5-169.90000111C98 E104 K109 L163 R200C98-T100 PolarHBondContact SG-O 3.42Å; C98-T100 VanDerWaalsContact SG-O 3.4Å; T100-E104 PolarHBondContact OG1-OE1 3.27Å; T100-E104 VanDerWaalsContact OG1-OE1 3.1Å; T100-K109 HydrophobicContact CG2-CB 4.36Å; T100-K109 WeakPolarHBondContact OG1-CB 3.46Å; T100-L163 WeakPolarHBondContact O-CD1 3.45Å; T100-R200 PolarHBondContact OG1-NH2 3.31Å
101K91.7Very high93.4Very high108 Ų10845.7 Ų45.747%0.4727%0.27SS..  trans-71.6163.5164.9-63.5-178.9-176.9-179.50109.5T103 E104 K109 T165K101-T103 VanDerWaalsContact C-N 3.28Å; K101-T103 WeakPolarHBondContact CB-O 3.36Å; K101-T103 PolarHBondContact O-N 3.17Å; K101-E104 HydrophobicContact CB-CG 3.97Å; K101-E104 PolarHBondContact N-OE1 2.91Å; K101-K109 WeakPolarHBondContact O-CB 3.42Å; K101-T165 HydrophobicContact CD-CG2 4.4Å; K101-T165 HydrophobicContact CG-CG2 3.55Å
102V94.7Very high93.4Very high46 Ų4647 Ų4728%0.27928%0.282SS..SBendtrans-57.4-45.6170.7169.90000110.1E108 K109 S110 P112 W114V102-E108 WeakPolarHBondContact O-CA 3.46Å; V102-K109 PolarHBondContact O-N 2.83Å; V102-S110 WeakPolarHBondContact CG1-O 3.47Å; V102-S110 PolarHBondContact O-N 2.78Å; V102-P112 HydrophobicContact CG1-CB 4.36Å; V102-P112 HydrophobicContact CG2-CB 3.92Å; V102-W114 HydrophobicContact CG2-CH2 4.13Å
103T93.9Very high93.6Very high73 Ų7339.3 Ų39.345%0.44825%0.249SC..EExtended strand (participates in β ladder)trans-127.5135.5178.2-52.80000110.4K101 V107K101-T103 VanDerWaalsContact C-N 3.28Å; K101-T103 WeakPolarHBondContact CB-O 3.36Å; K101-T103 PolarHBondContact O-N 3.17Å; T103-V107 WeakPolarHBondContact CA-O 3.43Å
104E89Confident93.7Very high53 Ų5340.1 Ų40.125%0.24825%0.252CS..EExtended strand (participates in β ladder)trans-135.3122.5174.8-64179.9173.800109.4T100 K101 G106 V107 K109 R200T100-E104 PolarHBondContact OG1-OE1 3.27Å; T100-E104 VanDerWaalsContact OG1-OE1 3.1Å; K101-E104 HydrophobicContact CB-CG 3.97Å; K101-E104 PolarHBondContact N-OE1 2.91Å; E104-G106 PolarHBondContact O-N 2.8Å; E104-V107 PolarHBondContact N-O 3.37Å; E104-V107 PolarHBondContact O-N 3.33Å; E104-V107 VanDerWaalsContact O-N 3.07Å; E104-K109 HydrophobicContact CB-CG 3.84Å; E104-K109 HydrophobicContact CG-CG 3.9Å; E104-R200 IonicContact OE1-CZ 3.61Å; E104-R200 IonicContact OE1-NH1 3.58Å; E104-R200 PolarHBondContact OE1-NH1 3.45Å; E104-R200 IonicContact OE1-NH2 3.6Å; E104-R200 PolarHBondContact OE1-NH2 3.3Å; E104-R200 IonicContact OE2-CZ 2.8Å; E104-R200 IonicContact OE2-NH1 3.37Å; E104-R200 IonicContact OE2-NH2 2.84Å; E104-R200 PolarHBondContact OE2-NH2 2.99Å
105G86.1Confident93.9Very high88 Ų8838.6 Ų38.691%0.90724%0.238SC*.THydrogen-bonded Turntrans58.135.3-178.500000113.5V107G105-V107 PolarHBondContact O-N 2.87Å
106G91.1Very high93.6Very high73 Ų7341.6 Ų41.675%0.75326%0.258SS*.THydrogen-bonded Turntrans77.6-2.8-177.300000115.3E104E104-G106 PolarHBondContact O-N 2.8Å
107V93.5Very high93.5Very high75 Ų7546 Ų4646%0.45528%0.284SS..EExtended strand (participates in β ladder)trans-102.3130.7179.7-178.60000110T103 E104 G105 K109T103-V107 WeakPolarHBondContact CA-O 3.43Å; E104-V107 PolarHBondContact N-O 3.37Å; E104-V107 PolarHBondContact O-N 3.33Å; E104-V107 VanDerWaalsContact O-N 3.07Å; G105-V107 PolarHBondContact O-N 2.87Å; V107-K109 HydrophobicContact CG1-CD 4.4Å; V107-K109 PolarHBondContact O-N 2.86Å
108E96Very high93.6Very high89 Ų8952 Ų5242%0.41631%0.311SS..EExtended strand (participates in β ladder)trans-63.6124.7171.3-167.6-161.992.700110.2R34 V102R34-E108 IonicContact CZ-OE1 2.73Å; R34-E108 IonicContact NH1-OE1 2.91Å; R34-E108 PolarHBondContact NH1-OE1 2.83Å; R34-E108 IonicContact NH2-OE1 3.7Å; R34-E108 PolarHBondContact NH2-OE1 3.35Å; V102-E108 WeakPolarHBondContact O-CA 3.46Å
109K96.1Very high93.7Very high46 Ų4654.2 Ų54.220%0.234%0.335CS..  trans-110.4-20.1175.6-58.9-53.2-173-171.90112.7A75 T100 K101 V102 E104 V107 S195A75-K109 WeakPolarHBondContact CB-O 3.42Å; T100-K109 HydrophobicContact CG2-CB 4.36Å; T100-K109 WeakPolarHBondContact OG1-CB 3.46Å; K101-K109 WeakPolarHBondContact O-CB 3.42Å; V102-K109 PolarHBondContact O-N 2.83Å; E104-K109 HydrophobicContact CB-CG 3.84Å; E104-K109 HydrophobicContact CG-CG 3.9Å; V107-K109 HydrophobicContact CG1-CD 4.4Å; V107-K109 PolarHBondContact O-N 2.86Å; K109-S195 WeakPolarHBondContact CA-OG 3.29Å; K109-S195 WeakPolarHBondContact O-CA 3.42Å; K109-S195 PolarHBondContact O-OG 2.96Å; K109-S195 VanDerWaalsContact O-OG 3.11Å
110S97.3Very high93.9Very high0 Ų060.6 Ų60.60%036%0.363CS..SBendtrans-153.6142.4176.3-176.50000109V102V102-S110 WeakPolarHBondContact CG1-O 3.47Å; V102-S110 PolarHBondContact O-N 2.78Å
111Y97.6Very high94.2Very high52 Ų5265.7 Ų65.720%0.20439%0.386CS..  trans-66.8142.9161.4-174.1-95.8000109.1P76 D78 T81 Y113 F124P76-Y111 WeakPolarHBondContact O-CB 3.35Å; P76-Y111 PolarHBondContact O-N 2.83Å; D78-Y111 HydrophobicContact CB-CD2 3.57Å; D78-Y111 HydrophobicContact CB-CE2 3.48Å; D78-Y111 VanDerWaalsContact CB-CE2 3.48Å; D78-Y111 HydrophobicContact CB-CG 4.27Å; D78-Y111 VanDerWaalsContact CG-CE2 3.45Å; D78-Y111 WeakPolarHBondContact OD1-CE2 3.27Å; D78-Y111 VanDerWaalsContact OD1-CZ 3.32Å; D78-Y111 PolarHBondContact OD1-OH 3.47Å; T81-Y111 WeakPolarHBondContact OG1-CD1 3.38Å; Y111-Y113 WeakPolarHBondContact O-CD1 3.33Å; Y111-Y113 PolarHBondContact O-N 2.78Å; Y111-F124 AromaticContact CE1-CE1 3.97Å; Y111-F124 HydrophobicContact CE1-CE1 3.97Å; Y111-F124 HydrophobicContact CE1-CE2 4.17Å; Y111-F124 AromaticContact CE1-CZ 3.43Å; Y111-F124 HydrophobicContact CE1-CZ 3.43Å; Y111-F124 VanDerWaalsContact CE1-CZ 3.43Å; Y111-F124 AromaticContact CZ-CZ 3.92Å
112P96.5Very high94.4Very high63 Ų6362.9 Ų62.941%0.40938%0.376SS..  trans-74.866.7-17932-37.1000111.9V102 W114V102-P112 HydrophobicContact CG1-CB 4.36Å; V102-P112 HydrophobicContact CG2-CB 3.92Å; P112-W114 VanDerWaalsContact C-N 3.27Å; P112-W114 PolarHBondContact O-N 2.95Å
113Y97.6Very high94.5Very high0 Ų063.7 Ų63.70%038%0.381CS..  trans-74.7-4-171.570.5-97.1000114.7P76 F84 Y85 Y111 H161 H193P76-Y113 HydrophobicContact CB-CD1 4.21Å; P76-Y113 HydrophobicContact CG-CD1 3.6Å; P76-Y113 HydrophobicContact CG-CE1 4.01Å; P76-Y113 HydrophobicContact CG-CG 4.05Å; F84-Y113 HydrophobicContact CD1-CD2 4.22Å; F84-Y113 HydrophobicContact CD1-CE2 4.43Å; F84-Y113 AromaticContact CE1-CD2 3.81Å; F84-Y113 HydrophobicContact CE1-CD2 3.81Å; F84-Y113 HydrophobicContact CE1-CE1 4.42Å; F84-Y113 AromaticContact CE1-CE2 3.58Å; F84-Y113 HydrophobicContact CE1-CE2 3.58Å; F84-Y113 HydrophobicContact CE1-CG 4.37Å; F84-Y113 AromaticContact CE1-CZ 3.9Å; F84-Y113 HydrophobicContact CZ-CE2 4.32Å; Y85-Y113 HydrophobicContact CE1-CD2 4.16Å; Y85-Y113 PolarHBondContact OH-O 3.2Å; Y111-Y113 WeakPolarHBondContact O-CD1 3.33Å; Y111-Y113 PolarHBondContact O-N 2.78Å; Y113-H161 AromaticContact CE2-NE2 3.98Å; Y113-H161 AromaticContact CZ-NE2 3.68Å; Y113-H161 PolarHBondContact OH-CD2 3.01Å; Y113-H161 PolarHBondContact OH-NE2 3.05Å; Y113-H193 AromaticContact CE1-CE1 3.78Å; Y113-H193 AromaticContact CE1-NE2 3.6Å; Y113-H193 AromaticContact CZ-NE2 3.56Å; Y113-H193 PolarHBondContact OH-NE2 3.41Å
114W97.3Very high94.6Very high18 Ų1861.9 Ų61.97%0.06837%0.367CS..SBendtrans-126.3141.3-17672.598.1000112.3V102 P112 L129 H161 L163V102-W114 HydrophobicContact CG2-CH2 4.13Å; P112-W114 VanDerWaalsContact C-N 3.27Å; P112-W114 PolarHBondContact O-N 2.95Å; W114-L129 HydrophobicContact CB-CD2 4.2Å; W114-H161 AromaticContact CD1-CE1 3.9Å; W114-H161 AromaticContact CD2-CE1 3.69Å; W114-H161 AromaticContact CD2-NE2 3.69Å; W114-H161 AromaticContact CE2-CE1 3.53Å; W114-H161 AromaticContact CE3-NE2 3.96Å; W114-H161 AromaticContact CG-CE1 3.94Å; W114-H161 AromaticContact CG-NE2 3.91Å; W114-H161 AromaticContact NE1-CE1 3.64Å; W114-L163 HydrophobicContact CH2-CD1 4.31Å; W114-L163 HydrophobicContact CZ2-CD1 4.1Å; W114-L163 HydrophobicContact CZ2-CD2 4.01Å; W114-L163 HydrophobicContact CZ2-CG 4.48Å
115P95.6Very high94.9Very high6 Ų661.5 Ų61.54%0.03938%0.378CS..  trans-70.8137170.828.1-32.1000110.5K120 I122 A131 L146P115-K120 HydrophobicContact CB-CB 4.06Å; P115-I122 HydrophobicContact CB-CD1 4.23Å; P115-I122 HydrophobicContact CB-CG1 4.11Å; P115-I122 HydrophobicContact CG-CG1 4.42Å; P115-A131 HydrophobicContact CB-CB 4.04Å; P115-A131 HydrophobicContact CG-CB 3.87Å; P115-L146 HydrophobicContact CG-CD2 4.14Å
116V87.1Confident95.3Very high81 Ų8162.5 Ų62.549%0.49136%0.357SS..  trans-100.9-24.3178.5-1690000112.1S134V116-S134 VanDerWaalsContact O-CB 3.27Å; V116-S134 WeakPolarHBondContact O-CB 3.28Å; V116-S134 PolarHBondContact O-OG 2.99Å
117V92.2Very high95.6Very high92 Ų9259.1 Ų59.156%0.55832%0.322SS*.SBendtrans-94127.5-177178.90000109.3G119 K120 A131V117-G119 PolarHBondContact O-N 3.3Å; V117-K120 HydrophobicContact CB-CB 4.37Å; V117-K120 HydrophobicContact CB-CG 3.7Å; V117-K120 HydrophobicContact CG1-CG 3.94Å; V117-K120 VanDerWaalsContact O-CB 3.28Å; V117-K120 WeakPolarHBondContact O-CB 3.45Å; V117-K120 PolarHBondContact O-N 2.93Å; V117-A131 WeakPolarHBondContact O-CB 3.5Å
118E95.2Very high95.8Very high128 Ų12856 Ų5660%0.59830%0.303SS*.THydrogen-bonded Turntrans-52137.9176-174.8172149.800111.9K120 L132E118-K120 PolarHBondContact O-N 3.27Å; E118-L132 WeakPolarHBondContact CG-O 3.38Å
119G95.8Very high95.9Very high48 Ų4851.7 Ų51.750%0.49528%0.283SS..THydrogen-bonded Turntrans79.4-17.2-17700000114.7V117 A131V117-G119 PolarHBondContact O-N 3.3Å; G119-A131 PolarHBondContact N-O 2.76Å
120K97.4Very high96Very high134 Ų13453.2 Ų53.258%0.58329%0.289SS*.  trans-71.9148.3174.2-67.1-65.6-173.2176.70111.2P115 V117 E118 K130 A131P115-K120 HydrophobicContact CB-CB 4.06Å; V117-K120 HydrophobicContact CB-CB 4.37Å; V117-K120 HydrophobicContact CB-CG 3.7Å; V117-K120 HydrophobicContact CG1-CG 3.94Å; V117-K120 VanDerWaalsContact O-CB 3.28Å; V117-K120 WeakPolarHBondContact O-CB 3.45Å; V117-K120 PolarHBondContact O-N 2.93Å; E118-K120 PolarHBondContact O-N 3.27Å; K120-K130 WeakPolarHBondContact O-CA 3.38Å; K120-A131 PolarHBondContact O-N 3.22Å
121Q96.5Very high96Very high106 Ų10653.2 Ų53.250%0.49529%0.289SS..EExtended strand (participates in β ladder)trans-131.4141.8178.4-177.9-179.8-59.700109.3S128 L129 K130Q121-S128 PolarHBondContact NE2-OG 3.19Å; Q121-L129 CarbonylContact C-O 3.6Å; Q121-L129 VanDerWaalsContact CA-O 3.31Å; Q121-L129 WeakPolarHBondContact CA-O 3.47Å; Q121-K130 HydrophobicContact CB-CB 4.2Å; Q121-K130 HydrophobicContact CB-CG 4.33Å; Q121-K130 HydrophobicContact CG-CB 4.21Å
122I96.8Very high96Very high49 Ų4953.5 Ų53.525%0.25129%0.294SS..EExtended strand (participates in β ladder)trans-119.3141.9169.3-46.6177000107.7P115 F124 S128 L129P115-I122 HydrophobicContact CB-CD1 4.23Å; P115-I122 HydrophobicContact CB-CG1 4.11Å; P115-I122 HydrophobicContact CG-CG1 4.42Å; I122-F124 HydrophobicContact CB-CE2 4.41Å; I122-F124 HydrophobicContact CG2-CD2 3.9Å; I122-F124 HydrophobicContact CG2-CE2 3.3Å; I122-F124 HydrophobicContact CG2-CZ 4Å; I122-S128 WeakPolarHBondContact O-CA 3.48Å; I122-L129 PolarHBondContact N-O 3.14Å; I122-L129 PolarHBondContact O-N 3.49Å
123T96.7Very high95.9Very high64 Ų6452.9 Ų52.939%0.39329%0.291SS..EExtended strand (participates in β ladder)trans-121.6129.5-179.8-63.80000109.1Y127 S128T123-Y127 CarbonylContact C-O 3.53Å; T123-Y127 VanDerWaalsContact CA-O 3.32Å; T123-Y127 WeakPolarHBondContact CA-O 3.43Å; T123-S128 PolarHBondContact OG1-OG 3.06Å
124F95.6Very high95.6Very high35 Ų3555.2 Ų55.215%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-128.5117.4171.2-75.2-81.2000108.8T81 Y85 Y111 I122 K126 Y127T81-F124 HydrophobicContact CG2-CB 4.17Å; T81-F124 HydrophobicContact CG2-CD1 3.95Å; T81-F124 HydrophobicContact CG2-CD2 3.37Å; T81-F124 HydrophobicContact CG2-CE1 4.24Å; T81-F124 HydrophobicContact CG2-CE2 3.67Å; T81-F124 HydrophobicContact CG2-CG 3.54Å; T81-F124 HydrophobicContact CG2-CZ 4.15Å; Y85-F124 HydrophobicContact CD2-CB 3.98Å; Y85-F124 HydrophobicContact CD2-CD2 4.48Å; Y85-F124 HydrophobicContact CE2-CB 3.96Å; Y85-F124 AromaticContact CE2-CD2 3.69Å; Y85-F124 HydrophobicContact CE2-CD2 3.69Å; Y85-F124 HydrophobicContact CE2-CG 4.31Å; Y85-F124 AromaticContact CZ-CD2 3.85Å; Y111-F124 AromaticContact CE1-CE1 3.97Å; Y111-F124 HydrophobicContact CE1-CE1 3.97Å; Y111-F124 HydrophobicContact CE1-CE2 4.17Å; Y111-F124 AromaticContact CE1-CZ 3.43Å; Y111-F124 HydrophobicContact CE1-CZ 3.43Å; Y111-F124 VanDerWaalsContact CE1-CZ 3.43Å; Y111-F124 AromaticContact CZ-CZ 3.92Å; I122-F124 HydrophobicContact CB-CE2 4.41Å; I122-F124 HydrophobicContact CG2-CD2 3.9Å; I122-F124 HydrophobicContact CG2-CE2 3.3Å; I122-F124 HydrophobicContact CG2-CZ 4Å; F124-K126 PolarHBondContact O-N 3.39Å; F124-Y127 PolarHBondContact N-O 2.9Å; F124-Y127 PolarHBondContact O-N 2.78Å
125G94.3Very high95.1Very high45 Ų4557 Ų5746%0.46432%0.323SS..THydrogen-bonded Turntrans51.3-121.3-174.400000112E82 Y127E82-G125 WeakPolarHBondContact OE1-CA 3.34Å; G125-Y127 VanDerWaalsContact C-N 3.27Å; G125-Y127 PolarHBondContact O-N 2.85Å
126K95.2Very high94.5Very high109 Ų10963 Ų6347%0.47435%0.35SS..THydrogen-bonded Turntrans-83.73.4-175.8-54.1176.4-172.1174.40114.5E82 F124 Q151E82-K126 PolarHBondContact OE1-N 3.49Å; F124-K126 PolarHBondContact O-N 3.39Å; K126-Q151 WeakPolarHBondContact O-CB 3.32Å; K126-Q151 WeakPolarHBondContact O-CG 3.34Å; K126-Q151 PolarHBondContact O-N 2.83Å
127Y97.9Very high93.8Very high2 Ų264.3 Ų64.31%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-123.2136.9-168.4-67.5-78.9000111.3E82 H86 Y89 T123 F124 G125 L148 T149 K150E82-Y127 HydrophobicContact CG-CD2 4.43Å; H86-Y127 HydrophobicContact CB-CE2 3.76Å; H86-Y127 AromaticContact ND1-CE2 3.91Å; H86-Y127 AromaticContact ND1-CZ 3.79Å; H86-Y127 PolarHBondContact ND1-OH 2.82Å; Y89-Y127 HydrophobicContact CD1-CE1 4.04Å; Y89-Y127 HydrophobicContact CD2-CE1 4.17Å; Y89-Y127 AromaticContact CG-CE1 3.64Å; Y89-Y127 HydrophobicContact CG-CE1 3.64Å; T123-Y127 CarbonylContact C-O 3.53Å; T123-Y127 VanDerWaalsContact CA-O 3.32Å; T123-Y127 WeakPolarHBondContact CA-O 3.43Å; F124-Y127 PolarHBondContact N-O 2.9Å; F124-Y127 PolarHBondContact O-N 2.78Å; G125-Y127 VanDerWaalsContact C-N 3.27Å; G125-Y127 PolarHBondContact O-N 2.85Å; Y127-L148 HydrophobicContact CD1-CD1 4.16Å; Y127-T149 WeakPolarHBondContact CA-O 3.39Å; Y127-K150 HydrophobicContact CD1-CB 4.15Å; Y127-K150 HydrophobicContact CD1-CG 4.07Å; Y127-K150 HydrophobicContact CE1-CB 3.88Å; Y127-K150 HydrophobicContact CE1-CD 4.1Å; Y127-K150 HydrophobicContact CE1-CG 3.55Å
128S97.6Very high92.7Very high8 Ų864 Ų646%0.05634%0.344CS..EExtended strand (participates in β ladder)trans-120.5128.9174.5-690000109.9Q121 I122 T123 L148 T149 Q151Q121-S128 PolarHBondContact NE2-OG 3.19Å; I122-S128 WeakPolarHBondContact O-CA 3.48Å; T123-S128 PolarHBondContact OG1-OG 3.06Å; S128-L148 WeakPolarHBondContact O-CA 3.47Å; S128-T149 PolarHBondContact N-O 3.02Å; S128-T149 PolarHBondContact O-N 3.42Å; S128-Q151 PolarHBondContact OG-NE2 3.07Å
129L98Very high91.4Very high0 Ų063 Ų630%035%0.35CS..EExtended strand (participates in β ladder)trans-114115.1178.8-170.367.8000108.8Y85 W114 Q121 I122 L146 E147 L148Y85-L129 HydrophobicContact CE1-CD2 3.8Å; Y85-L129 HydrophobicContact CE2-CB 3.92Å; Y85-L129 WeakPolarHBondContact OH-CD2 3.39Å; W114-L129 HydrophobicContact CB-CD2 4.2Å; Q121-L129 CarbonylContact C-O 3.6Å; Q121-L129 VanDerWaalsContact CA-O 3.31Å; Q121-L129 WeakPolarHBondContact CA-O 3.47Å; I122-L129 PolarHBondContact N-O 3.14Å; I122-L129 PolarHBondContact O-N 3.49Å; L129-L146 HydrophobicContact CD1-CB 3.87Å; L129-L146 HydrophobicContact CD1-CD1 4.09Å; L129-L146 HydrophobicContact CD1-CG 4.45Å; L129-L146 HydrophobicContact CD2-CD1 4.07Å; L129-L146 HydrophobicContact CG-CB 4.46Å; L129-L146 HydrophobicContact CG-CD1 4.26Å; L129-L146 HydrophobicContact CG-CD2 4.38Å; L129-E147 WeakPolarHBondContact CA-O 3.45Å; L129-L148 HydrophobicContact CD1-CB 3.89Å; L129-L148 HydrophobicContact CD1-CD1 4.17Å
130K97.9Very high90.3Very high78 Ų7861 Ų6134%0.33933%0.329SS..EExtended strand (participates in β ladder)trans-110.6135.9-178.3-176.3179.4177.5-1760110.8K120 Q121 L132 L146 E147K120-K130 WeakPolarHBondContact O-CA 3.38Å; Q121-K130 HydrophobicContact CB-CB 4.2Å; Q121-K130 HydrophobicContact CB-CG 4.33Å; Q121-K130 HydrophobicContact CG-CB 4.21Å; K130-L132 HydrophobicContact CD-CD2 4.36Å; K130-L146 CarbonylContact O-C 3.56Å; K130-L146 VanDerWaalsContact O-CA 3.27Å; K130-L146 WeakPolarHBondContact O-CA 3.25Å; K130-E147 PolarHBondContact N-O 3.1Å; K130-E147 PolarHBondContact O-N 3.15Å
131A98Very high89.7Confident0 Ų054.8 Ų54.80%030%0.302CS..EExtended strand (participates in β ladder)trans-79.6116.6168.200000109.8P115 V117 G119 K120 T144 L146P115-A131 HydrophobicContact CB-CB 4.04Å; P115-A131 HydrophobicContact CG-CB 3.87Å; V117-A131 WeakPolarHBondContact O-CB 3.5Å; G119-A131 PolarHBondContact N-O 2.76Å; K120-A131 PolarHBondContact O-N 3.22Å; A131-T144 HydrophobicContact CB-CG2 4.05Å; A131-L146 HydrophobicContact CB-CD2 4.32Å
132L97.1Very high89.4Confident57 Ų5751.7 Ų51.730%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-86.4-34.5176-60-175.7000112.2E118 K130 A145 E147E118-L132 WeakPolarHBondContact CG-O 3.38Å; K130-L132 HydrophobicContact CD-CD2 4.36Å; L132-A145 HydrophobicContact CB-CB 4.29Å; L132-A145 WeakPolarHBondContact CB-O 3.4Å; L132-A145 PolarHBondContact N-O 3.49Å; L132-E147 HydrophobicContact CD1-CB 4.02Å; L132-E147 HydrophobicContact CD2-CB 3.99Å; L132-E147 HydrophobicContact CG-CB 4Å
133S94.4Very high89.1Confident51 Ų5150.6 Ų50.636%0.35729%0.285SS..EExtended strand (participates in β ladder)trans-159.1156.3172.364.60000109.7T144 A145S133-T144 WeakPolarHBondContact O-CA 3.42Å; S133-T144 VanDerWaalsContact O-CG2 3.27Å; S133-T144 WeakPolarHBondContact O-CG2 3.38Å; S133-A145 PolarHBondContact N-O 3.48Å; S133-A145 PolarHBondContact O-N 2.93Å; S133-A145 WeakPolarHBondContact OG-CB 3.22Å
134S90.6Very high88.9Confident48 Ų4847.7 Ų47.734%0.33627%0.267SS..EExtended strand (participates in β ladder)trans-139.4124.7177.2-171.20000109.2V116V116-S134 VanDerWaalsContact O-CB 3.27Å; V116-S134 WeakPolarHBondContact O-CB 3.28Å; V116-S134 PolarHBondContact O-OG 2.99Å
135S87.5Confident88.9Confident57 Ų5747.6 Ų47.640%0.39927%0.273SS..EExtended strand (participates in β ladder)trans-131.1134.9179.758.90000110.6V143S135-V143 PolarHBondContact N-O 2.73Å; S135-V143 PolarHBondContact O-N 3.41Å; S135-V143 PolarHBondContact OG-O 3.44Å
136Q82.1Confident89Confident130 Ų13045.5 Ų45.561%0.60725%0.251SS*.EExtended strand (participates in β ladder)trans-94.2109.7168-177168.231.900108.1E138 N142Q136-E138 WeakPolarHBondContact CG-O 3.44Å; Q136-N142 WeakPolarHBondContact CB-OD1 3.43Å; Q136-N142 VanDerWaalsContact CG-OD1 3.3Å; Q136-N142 WeakPolarHBondContact CG-OD1 3.38Å
137E72.2Confident89.1Confident110 Ų11042.6 Ų42.651%0.51424%0.239SC..EExtended strand (participates in β ladder)trans-79.4-41.6177.9-73.1-164.3-175.900111.7C141 V143 K177E137-C141 PolarHBondContact N-O 3.33Å; E137-V143 HydrophobicContact CG-CG2 4.35Å; E137-K177 IonicContact OE2-NZ 2.72Å; E137-K177 PolarHBondContact OE2-NZ 2.94Å
138E69.9Low89.1Confident85 Ų8542.5 Ų42.540%0.39724%0.239SC..EExtended strand (participates in β ladder)trans-140.2166.6-179.4-71.4173.5-146.800108.2Q136 C140 C141 K177Q136-E138 WeakPolarHBondContact CG-O 3.44Å; E138-C140 PolarHBondContact O-N 2.92Å; E138-C141 PolarHBondContact O-N 2.95Å; E138-K177 WeakPolarHBondContact OE1-CE 3.35Å; E138-K177 IonicContact OE1-NZ 3.45Å; E138-K177 PolarHBondContact OE1-NZ 2.84Å
139S67.8Low89.2Confident106 Ų10643.7 Ų43.774%0.74125%0.246SC*.THydrogen-bonded Turntrans-54-17.9-177.857.50000114.1
140C73.8Confident89.1Confident8 Ų844.9 Ų44.95%0.05425%0.251CS..THydrogen-bonded Turntrans-127.1-1.6-169.663.90000115.8E138 T165 D166E138-C140 PolarHBondContact O-N 2.92Å; C140-T165 PolarHBondContact O-N 3.25Å; C140-T165 PolarHBondContact O-OG1 3.29Å; C140-D166 HydrophobicContact CB-CB 3.33Å; C140-D166 VanDerWaalsContact SG-CB 3.51Å
141C84.4Confident88.8Confident2 Ų245.7 Ų45.71%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-127.6109.8-178.5-173.10000109.8E137 E138 L163 Y164E137-C141 PolarHBondContact N-O 3.33Å; E138-C141 PolarHBondContact O-N 2.95Å; C141-L163 WeakPolarHBondContact CA-O 3.12Å; C141-Y164 HydrophobicContact CB-CD2 4.04Å; C141-Y164 HydrophobicContact CB-CE2 4.44Å
142N89.3Confident88.4Confident42 Ų4250.5 Ų50.523%0.22528%0.282CS..EExtended strand (participates in β ladder)trans-105.6131.4173.7-62.9-35.5000109Q136 I162 L163Q136-N142 WeakPolarHBondContact CB-OD1 3.43Å; Q136-N142 VanDerWaalsContact CG-OD1 3.3Å; Q136-N142 WeakPolarHBondContact CG-OD1 3.38Å; N142-I162 WeakPolarHBondContact O-CA 3.49Å; N142-L163 HydrophobicContact CB-CB 4.29Å; N142-L163 PolarHBondContact N-O 3.32Å; N142-L163 PolarHBondContact O-N 3.37Å
143V90.7Very high88.1Confident26 Ų2651 Ų5116%0.15829%0.285CS..EExtended strand (participates in β ladder)trans-114.7124.2177.5-175.10000108S135 E137 T160 H161 I162S135-V143 PolarHBondContact N-O 2.73Å; S135-V143 PolarHBondContact O-N 3.41Å; S135-V143 PolarHBondContact OG-O 3.44Å; E137-V143 HydrophobicContact CG-CG2 4.35Å; V143-T160 HydrophobicContact CG1-CG2 3.85Å; V143-H161 CarbonylContact C-O 3.6Å; V143-H161 WeakPolarHBondContact CA-O 3.43Å; V143-I162 HydrophobicContact CG2-CG1 4.43Å
144T93.1Very high87.7Confident2 Ų257 Ų571%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-120.7126.2177.6-50.70000108.9A131 S133 L146 H161A131-T144 HydrophobicContact CB-CG2 4.05Å; S133-T144 WeakPolarHBondContact O-CA 3.42Å; S133-T144 VanDerWaalsContact O-CG2 3.27Å; S133-T144 WeakPolarHBondContact O-CG2 3.38Å; T144-L146 HydrophobicContact CG2-CD2 3.54Å; T144-L146 HydrophobicContact CG2-CG 4.12Å; T144-H161 PolarHBondContact N-O 3.09Å; T144-H161 PolarHBondContact O-N 3.36Å
145A94.9Very high87.8Confident33 Ų3360.3 Ų60.327%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-82.7120.4167.800000108.2L132 S133L132-A145 HydrophobicContact CB-CB 4.29Å; L132-A145 WeakPolarHBondContact CB-O 3.4Å; L132-A145 PolarHBondContact N-O 3.49Å; S133-A145 PolarHBondContact N-O 3.48Å; S133-A145 PolarHBondContact O-N 2.93Å; S133-A145 WeakPolarHBondContact OG-CB 3.22Å
146L97.3Very high88.2Confident1 Ų160.5 Ų60.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-112.8150.2-177.6-59172.9000110.8P115 L129 K130 A131 T144 K158 I159 H161P115-L146 HydrophobicContact CG-CD2 4.14Å; L129-L146 HydrophobicContact CD1-CB 3.87Å; L129-L146 HydrophobicContact CD1-CD1 4.09Å; L129-L146 HydrophobicContact CD1-CG 4.45Å; L129-L146 HydrophobicContact CD2-CD1 4.07Å; L129-L146 HydrophobicContact CG-CB 4.46Å; L129-L146 HydrophobicContact CG-CD1 4.26Å; L129-L146 HydrophobicContact CG-CD2 4.38Å; K130-L146 CarbonylContact O-C 3.56Å; K130-L146 VanDerWaalsContact O-CA 3.27Å; K130-L146 WeakPolarHBondContact O-CA 3.25Å; A131-L146 HydrophobicContact CB-CD2 4.32Å; T144-L146 HydrophobicContact CG2-CD2 3.54Å; T144-L146 HydrophobicContact CG2-CG 4.12Å; L146-K158 CarbonylContact O-C 3.53Å; L146-K158 WeakPolarHBondContact O-CA 2.96Å; L146-I159 WeakPolarHBondContact CA-O 3.46Å; L146-I159 HydrophobicContact CB-CB 4.3Å; L146-I159 WeakPolarHBondContact CB-O 3.36Å; L146-I159 PolarHBondContact N-O 3.01Å; L146-I159 PolarHBondContact O-N 3.05Å; L146-H161 HydrophobicContact CD1-CB 3.49Å; L146-H161 VanDerWaalsContact CD1-CB 3.49Å; L146-H161 HydrophobicContact CG-CB 4.12Å
147E97.5Very high88.8Confident48 Ų4855.8 Ų55.822%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-117.5117.2166.7-176.2171.7-130.900108.9L129 K130 L132 S156L129-E147 WeakPolarHBondContact CA-O 3.45Å; K130-E147 PolarHBondContact N-O 3.1Å; K130-E147 PolarHBondContact O-N 3.15Å; L132-E147 HydrophobicContact CD1-CB 4.02Å; L132-E147 HydrophobicContact CD2-CB 3.99Å; L132-E147 HydrophobicContact CG-CB 4Å; E147-S156 WeakPolarHBondContact OE1-CB 3.42Å; E147-S156 PolarHBondContact OE1-OG 3.41Å
148L98.1Very high89.9Confident0 Ų058 Ų580%030%0.301CS..EExtended strand (participates in β ladder)trans-98.5118.2173.8177.364.2000108.8Y85 L88 Y127 S128 L129 S156 Q157 I159Y85-L148 HydrophobicContact CD2-CD1 4.29Å; Y85-L148 HydrophobicContact CG-CD1 4.29Å; L88-L148 HydrophobicContact CB-CD2 3.65Å; L88-L148 HydrophobicContact CD1-CD2 4.47Å; Y127-L148 HydrophobicContact CD1-CD1 4.16Å; S128-L148 WeakPolarHBondContact O-CA 3.47Å; L129-L148 HydrophobicContact CD1-CB 3.89Å; L129-L148 HydrophobicContact CD1-CD1 4.17Å; L148-S156 CarbonylContact O-C 3.59Å; L148-S156 VanDerWaalsContact O-CA 3.24Å; L148-S156 WeakPolarHBondContact O-CA 3.49Å; L148-Q157 HydrophobicContact CB-CG 4.03Å; L148-Q157 HydrophobicContact CD2-CG 4.48Å; L148-Q157 PolarHBondContact N-O 2.85Å; L148-Q157 PolarHBondContact O-N 3.36Å; L148-I159 HydrophobicContact CB-CD1 3.81Å; L148-I159 HydrophobicContact CB-CG1 4.39Å; L148-I159 HydrophobicContact CD2-CD1 3.94Å
149T98Very high91.1Very high34 Ų3454 Ų5421%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-117129-178.9-58.40000110.2Y127 S128 S156Y127-T149 WeakPolarHBondContact CA-O 3.39Å; S128-T149 PolarHBondContact N-O 3.02Å; S128-T149 PolarHBondContact O-N 3.42Å; T149-S156 VanDerWaalsContact OG1-CB 3.28Å; T149-S156 WeakPolarHBondContact OG1-CB 3.19Å
150K96.7Very high92.3Very high25 Ų2551.9 Ų51.911%0.10927%0.266CS..EExtended strand (participates in β ladder)trans-86.2122.6168.4-161-171.3-177.6-145.90108.9Y89 Y127 D152 N153 K154 Q155Y89-K150 HydrophobicContact CD1-CD 4.13Å; Y89-K150 HydrophobicContact CD2-CB 4.06Å; Y89-K150 HydrophobicContact CE1-CB 4.38Å; Y89-K150 HydrophobicContact CE1-CD 3.62Å; Y89-K150 HydrophobicContact CE2-CB 3.66Å; Y89-K150 HydrophobicContact CE2-CD 4.41Å; Y127-K150 HydrophobicContact CD1-CB 4.15Å; Y127-K150 HydrophobicContact CD1-CG 4.07Å; Y127-K150 HydrophobicContact CE1-CB 3.88Å; Y127-K150 HydrophobicContact CE1-CD 4.1Å; Y127-K150 HydrophobicContact CE1-CG 3.55Å; K150-D152 VanDerWaalsContact C-N 3.34Å; K150-D152 WeakPolarHBondContact CD-OD1 3.1Å; K150-D152 WeakPolarHBondContact CE-OD1 3.17Å; K150-D152 WeakPolarHBondContact CE-OD2 3.48Å; K150-D152 WeakPolarHBondContact CG-OD1 2.98Å; K150-D152 IonicContact NZ-OD1 2.87Å; K150-D152 IonicContact NZ-OD2 2.8Å; K150-D152 PolarHBondContact NZ-OD2 2.88Å; K150-D152 PolarHBondContact O-N 3.47Å; K150-N153 PolarHBondContact O-OD1 3.26Å; K150-K154 VanDerWaalsContact O-CA 3.29Å; K150-K154 WeakPolarHBondContact O-CA 3.44Å; K150-K154 PolarHBondContact O-N 2.95Å; K150-Q155 PolarHBondContact N-O 2.96Å
151Q92.3Very high93.3Very high94 Ų9451.5 Ų51.544%0.43926%0.263SS..THydrogen-bonded Turntrans-69.7-29.8-166.1-69.9-177.6-7.500114K126 S128K126-Q151 WeakPolarHBondContact O-CB 3.32Å; K126-Q151 WeakPolarHBondContact O-CG 3.34Å; K126-Q151 PolarHBondContact O-N 2.83Å; S128-Q151 PolarHBondContact OG-NE2 3.07Å
152D89.4Confident93.7Very high102 Ų10252 Ų5255%0.54527%0.265SS..THydrogen-bonded Turntrans-67.9-44.6-176.158.3-6.5000112.7K150K150-D152 VanDerWaalsContact C-N 3.34Å; K150-D152 WeakPolarHBondContact CD-OD1 3.1Å; K150-D152 WeakPolarHBondContact CE-OD1 3.17Å; K150-D152 WeakPolarHBondContact CE-OD2 3.48Å; K150-D152 WeakPolarHBondContact CG-OD1 2.98Å; K150-D152 IonicContact NZ-OD1 2.87Å; K150-D152 IonicContact NZ-OD2 2.8Å; K150-D152 PolarHBondContact NZ-OD2 2.88Å; K150-D152 PolarHBondContact O-N 3.47Å
153N90.6Very high93.8Very high68 Ų6851.1 Ų51.136%0.36426%0.261SS..THydrogen-bonded Turntrans-108.8-1.8-176.567.612.7000113.5Y89 K150 Q155Y89-N153 PolarHBondContact OH-ND2 2.83Å; K150-N153 PolarHBondContact O-OD1 3.26Å; N153-Q155 HydrophobicContact CB-CG 4.38Å; N153-Q155 PolarHBondContact O-N 3.23Å; N153-Q155 WeakPolarHBondContact OD1-CB 3.41Å; N153-Q155 PolarHBondContact OD1-N 2.78Å
154K85.9Confident93.6Very high177 Ų17750.3 Ų50.377%0.7726%0.255SS*.  trans53.519.4-176.6-59.1-175.3179.1179.90114.1K150 S156K150-K154 VanDerWaalsContact O-CA 3.29Å; K150-K154 WeakPolarHBondContact O-CA 3.44Å; K150-K154 PolarHBondContact O-N 2.95Å; K154-S156 PolarHBondContact O-N 2.82Å
155Q93.5Very high92.8Very high116 Ų11651.8 Ų51.854%0.54226%0.264SS..  trans-75.2129.3172.7-67.7-173.5-1400108.7Y89 K150 N153Y89-Q155 HydrophobicContact CE2-CB 4.37Å; Y89-Q155 PolarHBondContact OH-OE1 2.8Å; K150-Q155 PolarHBondContact N-O 2.96Å; N153-Q155 HydrophobicContact CB-CG 4.38Å; N153-Q155 PolarHBondContact O-N 3.23Å; N153-Q155 WeakPolarHBondContact OD1-CB 3.41Å; N153-Q155 PolarHBondContact OD1-N 2.78Å
156S94.9Very high91.7Very high61 Ų6151.8 Ų51.843%0.42726%0.259SS..EExtended strand (participates in β ladder)trans-114153.2176.373.40000111.6E147 L148 T149 K154E147-S156 WeakPolarHBondContact OE1-CB 3.42Å; E147-S156 PolarHBondContact OE1-OG 3.41Å; L148-S156 CarbonylContact O-C 3.59Å; L148-S156 VanDerWaalsContact O-CA 3.24Å; L148-S156 WeakPolarHBondContact O-CA 3.49Å; T149-S156 VanDerWaalsContact OG1-CB 3.28Å; T149-S156 WeakPolarHBondContact OG1-CB 3.19Å; K154-S156 PolarHBondContact O-N 2.82Å
157Q95.3Very high90.1Very high31 Ų3153.7 Ų53.715%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-132.2145169.268.3-178.633.300109.7L88 Y89 V93 L148 I159L88-Q157 PolarHBondContact O-NE2 3.43Å; Y89-Q157 PolarHBondContact O-OE1 2.84Å; V93-Q157 PolarHBondContact O-NE2 3.07Å; L148-Q157 HydrophobicContact CB-CG 4.03Å; L148-Q157 HydrophobicContact CD2-CG 4.48Å; L148-Q157 PolarHBondContact N-O 2.85Å; L148-Q157 PolarHBondContact O-N 3.36Å; Q157-I159 HydrophobicContact CG-CD1 4.42Å; Q157-I159 HydrophobicContact CG-CG1 4.24Å
158K95.1Very high88.2Confident156 Ų15654.5 Ų54.568%0.67828%0.275SS*.EExtended strand (participates in β ladder)trans-87.1136.7174.9-67-175.3179.2-178.80110L146L146-K158 CarbonylContact O-C 3.53Å; L146-K158 WeakPolarHBondContact O-CA 2.96Å
159I95.5Very high85.4Confident2 Ų257.2 Ų57.21%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-130.4127.1178.7-46.1-172.8000108.4L88 V93 A94 I96 L146 L148 Q157L88-I159 HydrophobicContact CB-CD1 4.27Å; L88-I159 HydrophobicContact CD1-CD1 4.18Å; V93-I159 WeakPolarHBondContact O-CG1 3.45Å; A94-I159 WeakPolarHBondContact O-CA 3.16Å; I96-I159 HydrophobicContact CD1-CG2 3.79Å; I96-I159 HydrophobicContact CG1-CG2 3.77Å; L146-I159 WeakPolarHBondContact CA-O 3.46Å; L146-I159 HydrophobicContact CB-CB 4.3Å; L146-I159 WeakPolarHBondContact CB-O 3.36Å; L146-I159 PolarHBondContact N-O 3.01Å; L146-I159 PolarHBondContact O-N 3.05Å; L148-I159 HydrophobicContact CB-CD1 3.81Å; L148-I159 HydrophobicContact CB-CG1 4.39Å; L148-I159 HydrophobicContact CD2-CD1 3.94Å; Q157-I159 HydrophobicContact CG-CD1 4.42Å; Q157-I159 HydrophobicContact CG-CG1 4.24Å
160T93.2Very high82.7Confident61 Ų6160.6 Ų60.637%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-83.8122.9166.3-59.80000108.6A94 L95 I96 V143 I162A94-T160 PolarHBondContact O-N 3.18Å; L95-T160 CarbonylContact C-O 3.6Å; L95-T160 WeakPolarHBondContact CA-O 3.44Å; L95-T160 HydrophobicContact CD1-CG2 3.98Å; I96-T160 PolarHBondContact N-O 3.47Å; V143-T160 HydrophobicContact CG1-CG2 3.85Å; T160-I162 HydrophobicContact CG2-CG1 4.15Å
161H94.4Very high80.5Confident0 Ų065.7 Ų65.70%033%0.325CS..EExtended strand (participates in β ladder)trans-106.4123.5173.7-177.3-79.5000109.7Y113 W114 V143 T144 L146Y113-H161 AromaticContact CE2-NE2 3.98Å; Y113-H161 AromaticContact CZ-NE2 3.68Å; Y113-H161 PolarHBondContact OH-CD2 3.01Å; Y113-H161 PolarHBondContact OH-NE2 3.05Å; W114-H161 AromaticContact CD1-CE1 3.9Å; W114-H161 AromaticContact CD2-CE1 3.69Å; W114-H161 AromaticContact CD2-NE2 3.69Å; W114-H161 AromaticContact CE2-CE1 3.53Å; W114-H161 AromaticContact CE3-NE2 3.96Å; W114-H161 AromaticContact CG-CE1 3.94Å; W114-H161 AromaticContact CG-NE2 3.91Å; W114-H161 AromaticContact NE1-CE1 3.64Å; V143-H161 CarbonylContact C-O 3.6Å; V143-H161 WeakPolarHBondContact CA-O 3.43Å; T144-H161 PolarHBondContact N-O 3.09Å; T144-H161 PolarHBondContact O-N 3.36Å; L146-H161 HydrophobicContact CD1-CB 3.49Å; L146-H161 VanDerWaalsContact CD1-CB 3.49Å; L146-H161 HydrophobicContact CG-CB 4.12Å
162I91.8Very high78.6Confident13 Ų1362.4 Ų62.47%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-112.6109.7177.1-57-178.6000107.4L95 I96 C98 N142 V143 T160 F178L95-I162 HydrophobicContact CD1-CD1 3.8Å; L95-I162 HydrophobicContact CD1-CG1 4.05Å; I96-I162 PolarHBondContact O-N 3.01Å; C98-I162 PolarHBondContact N-O 3.45Å; N142-I162 WeakPolarHBondContact O-CA 3.49Å; V143-I162 HydrophobicContact CG2-CG1 4.43Å; T160-I162 HydrophobicContact CG2-CG1 4.15Å; I162-F178 HydrophobicContact CB-CE1 4.31Å; I162-F178 HydrophobicContact CD1-CD1 4.33Å; I162-F178 HydrophobicContact CD1-CE1 4.49Å; I162-F178 HydrophobicContact CG2-CE1 3.91Å; I162-F178 HydrophobicContact CG2-CZ 4.36Å
163L91.7Very high77.1Confident23 Ų2357.7 Ų57.712%0.1229%0.288CS..EExtended strand (participates in β ladder)trans-90.3106167.6174.867.5000108.8C98 T100 W114 C141 N142 T165C98-L163 HydrophobicContact CB-CD1 4.18Å; C98-L163 WeakPolarHBondContact O-CA 3.29Å; C98-L163 VanDerWaalsContact SG-CD1 3.58Å; T100-L163 WeakPolarHBondContact O-CD1 3.45Å; W114-L163 HydrophobicContact CH2-CD1 4.31Å; W114-L163 HydrophobicContact CZ2-CD1 4.1Å; W114-L163 HydrophobicContact CZ2-CD2 4.01Å; W114-L163 HydrophobicContact CZ2-CG 4.48Å; C141-L163 WeakPolarHBondContact CA-O 3.12Å; N142-L163 HydrophobicContact CB-CB 4.29Å; N142-L163 PolarHBondContact N-O 3.32Å; N142-L163 PolarHBondContact O-N 3.37Å; L163-T165 HydrophobicContact CD1-CG2 3.72Å; L163-T165 HydrophobicContact CD2-CG2 4.2Å; L163-T165 HydrophobicContact CG-CG2 3.75Å
164Y87.7Confident75.6Confident10 Ų1057.7 Ų57.74%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-106.8114.3176.1-167.8-90.4000110.2C98 C141 D166 P173 F178C98-Y164 PolarHBondContact O-N 3.21Å; C141-Y164 HydrophobicContact CB-CD2 4.04Å; C141-Y164 HydrophobicContact CB-CE2 4.44Å; Y164-D166 HydrophobicContact CE1-CB 4.09Å; Y164-D166 VanDerWaalsContact CE1-O 3.27Å; Y164-D166 WeakPolarHBondContact CE1-O 3.39Å; Y164-P173 HydrophobicContact CD1-CB 4.48Å; Y164-P173 HydrophobicContact CE1-CB 3.8Å; Y164-P173 WeakPolarHBondContact OH-CA 3.24Å; Y164-F178 HydrophobicContact CD2-CZ 4.44Å; Y164-F178 HydrophobicContact CG-CE2 4.45Å; Y164-F178 HydrophobicContact CG-CZ 4.13Å
165T76.2Confident74.2Confident33 Ų3349.3 Ų49.320%0.20225%0.252CS..  trans-116.1-4.2-172.857.10000114K101 C140 L163 W167K101-T165 HydrophobicContact CD-CG2 4.4Å; K101-T165 HydrophobicContact CG-CG2 3.55Å; C140-T165 PolarHBondContact O-N 3.25Å; C140-T165 PolarHBondContact O-OG1 3.29Å; L163-T165 HydrophobicContact CD1-CG2 3.72Å; L163-T165 HydrophobicContact CD2-CG2 4.2Å; L163-T165 HydrophobicContact CG-CG2 3.75Å; T165-W167 PolarHBondContact O-N 2.87Å
166D70.2Confident72.6Confident33 Ų3347.1 Ų47.118%0.17625%0.247CC..  trans-83.956.6171.7-132.3-20.8000112.6C140 Y164 T168C140-D166 HydrophobicContact CB-CB 3.33Å; C140-D166 VanDerWaalsContact SG-CB 3.51Å; Y164-D166 HydrophobicContact CE1-CB 4.09Å; Y164-D166 VanDerWaalsContact CE1-O 3.27Å; Y164-D166 WeakPolarHBondContact CE1-O 3.39Å; D166-T168 PolarHBondContact O-N 3.4Å; D166-T168 VanDerWaalsContact OD1-CG2 3.3Å; D166-T168 WeakPolarHBondContact OD1-CG2 3.26Å; D166-T168 PolarHBondContact OD1-OG1 2.93Å
167W65.2Low71Confident40 Ų4046.6 Ų46.615%0.15224%0.237CC..  trans-94.354.2161.2-147-50.5000109.7L99 T165 P173 R200 T203 L204 F245L99-W167 HydrophobicContact CD1-CZ3 4.12Å; T165-W167 PolarHBondContact O-N 2.87Å; W167-P173 HydrophobicContact CH2-CG 3.93Å; W167-P173 HydrophobicContact CZ2-CG 4.18Å; W167-P173 HydrophobicContact CZ3-CG 4.18Å; W167-R200 HydrophobicContact CB-CG 4.5Å; W167-R200 HydrophobicContact CD2-CB 4.25Å; W167-R200 HydrophobicContact CD2-CG 3.72Å; W167-R200 HydrophobicContact CE3-CB 3.79Å; W167-R200 HydrophobicContact CE3-CG 3.75Å; W167-R200 HydrophobicContact CG-CG 4.03Å; W167-R200 HydrophobicContact CH2-CB 4.44Å; W167-R200 VanDerWaalsContact CH2-O 3.3Å; W167-R200 WeakPolarHBondContact CH2-O 3.37Å; W167-R200 HydrophobicContact CZ3-CB 3.9Å; W167-R200 HydrophobicContact CZ3-CG 4.3Å; W167-R200 WeakPolarHBondContact CZ3-O 3.04Å; W167-T203 HydrophobicContact CH2-CG2 3.82Å; W167-T203 HydrophobicContact CZ2-CG2 3.43Å; W167-T203 VanDerWaalsContact CZ2-CG2 3.43Å; W167-L204 HydrophobicContact CH2-CB 4.24Å; W167-L204 HydrophobicContact CZ3-CB 4.22Å; W167-F245 AromaticContact CE2-CE1 3.91Å; W167-F245 AromaticContact CE2-CZ 4Å; W167-F245 HydrophobicContact CZ2-CD1 4.23Å; W167-F245 AromaticContact CZ2-CE1 3.59Å; W167-F245 HydrophobicContact CZ2-CE1 3.59Å; W167-F245 HydrophobicContact CZ2-CZ 4.15Å; W167-F245 AromaticContact NE1-CE1 3.81Å; W167-F245 AromaticContact NE1-CZ 3.56Å
168T56.3Low69.5Low65 Ų6545.2 Ų45.240%0.39923%0.23SC..  trans-78.314317353.40000109.2D166 H170 K171D166-T168 PolarHBondContact O-N 3.4Å; D166-T168 VanDerWaalsContact OD1-CG2 3.3Å; D166-T168 WeakPolarHBondContact OD1-CG2 3.26Å; D166-T168 PolarHBondContact OD1-OG1 2.93Å; T168-H170 PolarHBondContact O-N 3.5Å; T168-K171 PolarHBondContact O-N 3.31Å; T168-K171 VanDerWaalsContact O-N 3.12Å
169D39.8Very low67.7Low58 Ų5840 Ų4031%0.3121%0.21SC..THydrogen-bonded Turntrans-46.9-25.8-170.8-76.43.5000114.9R248 E280 K281D169-R248 PolarHBondContact O-NH1 3.47Å; D169-R248 PolarHBondContact O-NH2 3.09Å; D169-E280 HydrophobicContact CB-CB 4.39Å; D169-E280 HydrophobicContact CB-CG 4.1Å; D169-K281 PolarHBondContact OD2-N 3.49Å
170H41.9Very low65.5Low105 Ų10542 Ų4249%0.48623%0.23SC..THydrogen-bonded Turntrans-99.3-9.1-171.3-49-73.5000115.7T168 E280T168-H170 PolarHBondContact O-N 3.5Å; H170-E280 WeakPolarHBondContact CE1-CG 3.32Å; H170-E280 IonicContact CE1-OE1 3.72Å; H170-E280 PolarHBondContact CE1-OE1 3.07Å; H170-E280 VanDerWaalsContact CE1-OE1 3.3Å; H170-E280 IonicContact CE1-OE2 3.48Å; H170-E280 PolarHBondContact CE1-OE2 3.5Å; H170-E280 IonicContact CG-OE1 3.3Å; H170-E280 VanDerWaalsContact ND1-CG 3.3Å; H170-E280 WeakPolarHBondContact ND1-CG 3.45Å; H170-E280 IonicContact ND1-OE1 3.88Å; H170-E280 PolarHBondContact ND1-OE1 3.26Å; H170-E280 IonicContact ND1-OE2 2.74Å
171K50.3Low63.6Low132 Ų13239.5 Ų39.557%0.57422%0.215SC*.  trans-127.7130-174.4-70-176.9-178.41760112.8T168 F245T168-K171 PolarHBondContact O-N 3.31Å; T168-K171 VanDerWaalsContact O-N 3.12Å; K171-F245 WeakPolarHBondContact O-CE2 3.32Å; K171-F245 WeakPolarHBondContact O-CZ 3.44Å
172A52.4Low61.4Low25 Ų2544.3 Ų44.321%0.20724%0.235CC..  trans-58.8138.7167.900000109.9N174 F245 T249A172-N174 PolarHBondContact O-N 3.3Å; A172-F245 VanDerWaalsContact CA-CZ 3.43Å; A172-F245 HydrophobicContact CB-CZ 4.36Å; A172-T249 HydrophobicContact CB-CG2 3.61Å; A172-T249 WeakPolarHBondContact CB-OG1 3.49Å
173P57.8Low58.9Low2 Ų247.2 Ų47.21%0.01325%0.254CS..  trans-58.2135.1166.527.5-34.2000107.6Y164 W167 C175 L207 F245Y164-P173 HydrophobicContact CD1-CB 4.48Å; Y164-P173 HydrophobicContact CE1-CB 3.8Å; Y164-P173 WeakPolarHBondContact OH-CA 3.24Å; W167-P173 HydrophobicContact CH2-CG 3.93Å; W167-P173 HydrophobicContact CZ2-CG 4.18Å; W167-P173 HydrophobicContact CZ3-CG 4.18Å; P173-C175 PolarHBondContact O-N 3.36Å; P173-C175 PolarHBondContact O-SG 2.86Å; P173-C175 VanDerWaalsContact O-SG 3.39Å; P173-L207 HydrophobicContact CG-CD1 3.88Å; P173-F245 HydrophobicContact CG-CE1 4.3Å
174N59.7Low56.4Low69 Ų6953 Ų5337%0.36929%0.285SS..  trans-70.188.2171.8-171.2-0.6000108.5A172 T176 K177A172-N174 PolarHBondContact O-N 3.3Å; N174-T176 VanDerWaalsContact CG-OG1 3.23Å; N174-T176 PolarHBondContact ND2-OG1 3.45Å; N174-T176 PolarHBondContact O-N 3.42Å; N174-T176 WeakPolarHBondContact OD1-CB 3.36Å; N174-T176 PolarHBondContact OD1-N 2.97Å; N174-T176 PolarHBondContact OD1-OG1 2.92Å; N174-K177 HydrophobicContact CB-CG 4.26Å; N174-K177 WeakPolarHBondContact O-CB 3.27Å; N174-K177 WeakPolarHBondContact O-CG 3.37Å; N174-K177 PolarHBondContact O-N 3.37Å
175C56.5Low54.3Low1 Ų161.3 Ų61.31%0.00733%0.33CS..G310 helixtrans-58.4-22.1-174.4-64.60000112.2P173 K177 F178 N179 M253P173-C175 PolarHBondContact O-N 3.36Å; P173-C175 PolarHBondContact O-SG 2.86Å; P173-C175 VanDerWaalsContact O-SG 3.39Å; C175-K177 PolarHBondContact O-N 3.49Å; C175-K177 VanDerWaalsContact O-N 3.17Å; C175-F178 PolarHBondContact O-N 2.79Å; C175-N179 PolarHBondContact O-N 2.81Å; C175-M253 HydrophobicContact CB-CE 3.75Å
176T58.7Low53.2Low69 Ų6965.3 Ų65.342%0.42336%0.355SS..G310 helixtrans-59.2-25.8174.667.90000113.6N174 F178 N179N174-T176 VanDerWaalsContact CG-OG1 3.23Å; N174-T176 PolarHBondContact ND2-OG1 3.45Å; N174-T176 PolarHBondContact O-N 3.42Å; N174-T176 WeakPolarHBondContact OD1-CB 3.36Å; N174-T176 PolarHBondContact OD1-N 2.97Å; N174-T176 PolarHBondContact OD1-OG1 2.92Å; T176-F178 PolarHBondContact O-N 3.48Å; T176-N179 WeakPolarHBondContact CA-ND2 3.34Å; T176-N179 WeakPolarHBondContact O-CB 3.23Å; T176-N179 PolarHBondContact O-N 2.82Å
177K62.5Low52.8Low51 Ų5167.9 Ų67.922%0.22237%0.368CS..G310 helixtrans-66-26.4174.8-62.3-65.7-170.7169.50112.6E137 E138 N174 C175E137-K177 IonicContact OE2-NZ 2.72Å; E137-K177 PolarHBondContact OE2-NZ 2.94Å; E138-K177 WeakPolarHBondContact OE1-CE 3.35Å; E138-K177 IonicContact OE1-NZ 3.45Å; E138-K177 PolarHBondContact OE1-NZ 2.84Å; N174-K177 HydrophobicContact CB-CG 4.26Å; N174-K177 WeakPolarHBondContact O-CB 3.27Å; N174-K177 WeakPolarHBondContact O-CG 3.37Å; N174-K177 PolarHBondContact O-N 3.37Å; C175-K177 PolarHBondContact O-N 3.49Å; C175-K177 VanDerWaalsContact O-N 3.17Å
178F62.7Low53.4Low2 Ų267.1 Ų67.11%0.00937%0.368CS..G310 helixtrans-93.43.4174.5-56.3-77.1000112.1A97 L99 I162 Y164 C175 T176 G180 L181 L204 L208A97-F178 HydrophobicContact CB-CD1 3.89Å; A97-F178 HydrophobicContact CB-CE1 3.55Å; L99-F178 HydrophobicContact CD2-CE1 4.44Å; L99-F178 HydrophobicContact CD2-CZ 3.87Å; I162-F178 HydrophobicContact CB-CE1 4.31Å; I162-F178 HydrophobicContact CD1-CD1 4.33Å; I162-F178 HydrophobicContact CD1-CE1 4.49Å; I162-F178 HydrophobicContact CG2-CE1 3.91Å; I162-F178 HydrophobicContact CG2-CZ 4.36Å; Y164-F178 HydrophobicContact CD2-CZ 4.44Å; Y164-F178 HydrophobicContact CG-CE2 4.45Å; Y164-F178 HydrophobicContact CG-CZ 4.13Å; C175-F178 PolarHBondContact O-N 2.79Å; T176-F178 PolarHBondContact O-N 3.48Å; F178-G180 PolarHBondContact O-N 3.03Å; F178-L181 HydrophobicContact CB-CD1 4.33Å; F178-L181 WeakPolarHBondContact O-CB 3.44Å; F178-L181 VanDerWaalsContact O-CD1 3.32Å; F178-L181 WeakPolarHBondContact O-CD1 3.49Å; F178-L181 VanDerWaalsContact O-CG 3.24Å; F178-L181 WeakPolarHBondContact O-CG 3.44Å; F178-L181 PolarHBondContact O-N 3.43Å; F178-L204 HydrophobicContact CD1-CD2 4.13Å; F178-L204 HydrophobicContact CD2-CD1 3.64Å; F178-L204 HydrophobicContact CD2-CD2 3.99Å; F178-L204 HydrophobicContact CD2-CG 4.47Å; F178-L204 HydrophobicContact CE1-CD2 4.04Å; F178-L204 HydrophobicContact CE2-CD1 3.9Å; F178-L204 HydrophobicContact CE2-CD2 3.88Å; F178-L204 HydrophobicContact CG-CD1 4.26Å; F178-L204 HydrophobicContact CG-CD2 4.1Å; F178-L204 HydrophobicContact CZ-CD2 3.9Å; F178-L208 HydrophobicContact CB-CD2 3.97Å
179N57.6Low55.1Low47 Ų4764.6 Ų64.625%0.25135%0.353SS..G310 helixtrans-60.5-14.1170.4-73.7-18.4000112.1C175 T176 L181 K182 Q211C175-N179 PolarHBondContact O-N 2.81Å; T176-N179 WeakPolarHBondContact CA-ND2 3.34Å; T176-N179 WeakPolarHBondContact O-CB 3.23Å; T176-N179 PolarHBondContact O-N 2.82Å; N179-L181 PolarHBondContact O-N 2.94Å; N179-L181 VanDerWaalsContact O-N 3.09Å; N179-K182 HydrophobicContact CB-CD 4.39Å; N179-K182 WeakPolarHBondContact O-CA 3.27Å; N179-K182 WeakPolarHBondContact O-CB 3.45Å; N179-K182 VanDerWaalsContact O-CG 3.29Å; N179-K182 WeakPolarHBondContact O-CG 3.45Å; N179-K182 PolarHBondContact O-N 3.22Å; N179-Q211 PolarHBondContact OD1-NE2 3.21Å
180G49.8Very low57.6Low42 Ų4261.9 Ų61.943%0.43334%0.339SS..G310 helixtrans-57.9-13.9168.700000114.3F178 K182 T183F178-G180 PolarHBondContact O-N 3.03Å; G180-K182 PolarHBondContact O-N 3.05Å; G180-K182 VanDerWaalsContact O-N 3.17Å; G180-T183 WeakPolarHBondContact O-CG2 3.27Å; G180-T183 PolarHBondContact O-OG1 3.41Å
181L52.8Low60.2Low9 Ų956.9 Ų56.95%0.04732%0.316CS..G310 helixtrans-56.3-21162.6-72.2163.4000112.8L66 L95 F178 N179 T183 A190 L208L66-L181 HydrophobicContact CD1-CD1 4.27Å; L95-L181 HydrophobicContact CD2-CD2 3.67Å; L95-L181 HydrophobicContact CD2-CG 3.77Å; F178-L181 HydrophobicContact CB-CD1 4.33Å; F178-L181 WeakPolarHBondContact O-CB 3.44Å; F178-L181 VanDerWaalsContact O-CD1 3.32Å; F178-L181 WeakPolarHBondContact O-CD1 3.49Å; F178-L181 VanDerWaalsContact O-CG 3.24Å; F178-L181 WeakPolarHBondContact O-CG 3.44Å; F178-L181 PolarHBondContact O-N 3.43Å; N179-L181 PolarHBondContact O-N 2.94Å; N179-L181 VanDerWaalsContact O-N 3.09Å; L181-T183 PolarHBondContact O-N 2.96Å; L181-A190 HydrophobicContact CD2-CB 3.3Å; L181-L208 HydrophobicContact CD1-CD1 3.52Å; L181-L208 HydrophobicContact CD1-CD2 4.16Å; L181-L208 HydrophobicContact CD1-CG 4.44Å
182K47.3Very low62.3Low101 Ų10150.8 Ų50.844%0.43929%0.289SS..  trans-89.171.7175-55175.51761780109.8N179 G180 E215N179-K182 HydrophobicContact CB-CD 4.39Å; N179-K182 WeakPolarHBondContact O-CA 3.27Å; N179-K182 WeakPolarHBondContact O-CB 3.45Å; N179-K182 VanDerWaalsContact O-CG 3.29Å; N179-K182 WeakPolarHBondContact O-CG 3.45Å; N179-K182 PolarHBondContact O-N 3.22Å; G180-K182 PolarHBondContact O-N 3.05Å; G180-K182 VanDerWaalsContact O-N 3.17Å; K182-E215 IonicContact NZ-OE1 3.72Å; K182-E215 IonicContact NZ-OE2 2.87Å; K182-E215 PolarHBondContact NZ-OE2 3.21Å
183T40.1Very low64.4Low75 Ų7549.6 Ų49.646%0.4628%0.279SS..  trans-133.1123.3173.350.80000113.9G180 L181G180-T183 WeakPolarHBondContact O-CG2 3.27Å; G180-T183 PolarHBondContact O-OG1 3.41Å; L181-T183 PolarHBondContact O-N 2.96Å
184N39.7Very low66.1Low144 Ų14449.7 Ų49.777%0.7728%0.28SS*.SBendtrans39.2109.4156.8-61.2-13.3000120.4T186N184-T186 PolarHBondContact O-N 3.29Å; N184-T186 PolarHBondContact O-OG1 2.85Å
185N42.3Very low67.9Low184 Ų18446.9 Ų46.998%0.98427%0.265SS*.SBendtrans39.3-14.2157-74.92000121.9
186T52.7Low69.8Low117 Ų11747.3 Ų47.372%0.71827%0.269SS*.SBendtrans-130.9118.617344.50000107N184 P188N184-T186 PolarHBondContact O-N 3.29Å; N184-T186 PolarHBondContact O-OG1 2.85Å; T186-P188 WeakPolarHBondContact O-CD 3.27Å
187L62Low71.7Confident88 Ų8844 Ų4446%0.46125%0.249SC..  trans-55107.4-175.4-52.2171.7000110.2N67N67-L187 HydrophobicContact CB-CD2 4.14Å; N67-L187 WeakPolarHBondContact ND2-CD2 3.12Å; N67-L187 WeakPolarHBondContact O-CD2 3.33Å; N67-L187 WeakPolarHBondContact OD1-CD2 3.38Å
188P78Confident73.3Confident23 Ų2341.6 Ų41.615%0.14924%0.238CC..  trans-70.4137.417927-29.8000109.7A94 T186A94-P188 HydrophobicContact CB-CB 3.97Å; T186-P188 WeakPolarHBondContact O-CD 3.27Å
189T91.4Very high74.8Confident12 Ų1241.6 Ų41.67%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-77.8130.6169.1-54.20000108.8W60 K69 I71 E91 V93 A94W60-T189 HydrophobicContact CH2-CG2 4.03Å; W60-T189 HydrophobicContact CZ3-CG2 3.87Å; K69-T189 HydrophobicContact CB-CG2 4.39Å; K69-T189 CarbonylContact O-C 3.52Å; K69-T189 WeakPolarHBondContact O-CA 3.4Å; I71-T189 HydrophobicContact CD1-CG2 3.99Å; I71-T189 HydrophobicContact CG1-CG2 4.35Å; E91-T189 HydrophobicContact CB-CG2 4.24Å; E91-T189 WeakPolarHBondContact O-CB 3.41Å; E91-T189 PolarHBondContact O-OG1 2.85Å; V93-T189 WeakPolarHBondContact CA-O 3.44Å; V93-T189 HydrophobicContact CG2-CG2 3.91Å; A94-T189 PolarHBondContact N-O 3.4Å
190A92.8Very high76.5Confident2 Ų241.3 Ų41.32%0.01723%0.234CC..EExtended strand (participates in β ladder)trans-118.9144.4175.600000111.5K69 V70 I71 L95 L181K69-A190 PolarHBondContact O-N 3.1Å; V70-A190 CarbonylContact C-O 3.55Å; V70-A190 WeakPolarHBondContact CA-O 3.13Å; I71-A190 PolarHBondContact N-O 3.32Å; L95-A190 HydrophobicContact CB-CB 4.11Å; L95-A190 HydrophobicContact CD2-CB 4.33Å; L95-A190 CarbonylContact O-C 3.56Å; L95-A190 WeakPolarHBondContact O-CA 3.37Å; L181-A190 HydrophobicContact CD2-CB 3.3Å
191V96.4Very high78.6Confident0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-106.6132.6171168.40000108.8I71 F84 M87 L88 V93 L95 I96 A97I71-V191 HydrophobicContact CB-CG2 4.05Å; I71-V191 HydrophobicContact CD1-CG2 4.39Å; I71-V191 HydrophobicContact CG2-CG2 4.39Å; I71-V191 CarbonylContact O-C 3.58Å; I71-V191 WeakPolarHBondContact O-CA 3.48Å; F84-V191 HydrophobicContact CE2-CG1 4.18Å; F84-V191 HydrophobicContact CZ-CG1 4.37Å; M87-V191 HydrophobicContact CE-CG2 4.03Å; L88-V191 HydrophobicContact CD2-CG2 3.86Å; V93-V191 HydrophobicContact CB-CG2 4.46Å; V93-V191 HydrophobicContact CG1-CB 4.3Å; V93-V191 HydrophobicContact CG1-CG2 3.85Å; V93-V191 HydrophobicContact CG2-CG2 3.78Å; L95-V191 PolarHBondContact O-N 2.93Å; I96-V191 CarbonylContact C-O 3.53Å; I96-V191 WeakPolarHBondContact CA-O 3.47Å; I96-V191 HydrophobicContact CG1-CB 4.36Å; I96-V191 HydrophobicContact CG2-CG1 4.48Å; A97-V191 PolarHBondContact N-O 3.32Å
192I94.9Very high80.6Confident3 Ų338.9 Ų38.92%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-117.2123.4169-53.4177.4000107.7V70 I71 M72 C73 A97 L99 L204 A205 L208V70-I192 HydrophobicContact CG1-CD1 3.72Å; V70-I192 HydrophobicContact CG1-CG1 3.95Å; I71-I192 PolarHBondContact O-N 3.34Å; M72-I192 WeakPolarHBondContact CA-O 3.42Å; M72-I192 HydrophobicContact CG-CB 4.44Å; C73-I192 PolarHBondContact N-O 3.11Å; A97-I192 HydrophobicContact CB-CG1 4.21Å; A97-I192 HydrophobicContact CB-CG2 4.36Å; L99-I192 HydrophobicContact CD1-CG2 3.73Å; L99-I192 HydrophobicContact CG-CG2 4.46Å; I192-L204 HydrophobicContact CD1-CD2 4.44Å; I192-L204 HydrophobicContact CG2-CD2 4.11Å; I192-A205 HydrophobicContact CD1-CB 4.44Å; I192-L208 HydrophobicContact CD1-CD1 4.19Å
193H97.2Very high82.7Confident0 Ų034 Ų340%019%0.191CC..EExtended strand (participates in β ladder)trans-138.7155.6174.383.289.2000112.4C73 A97 C98 L99 Y113 S201C73-H193 WeakPolarHBondContact O-CB 3.45Å; A97-H193 PolarHBondContact O-N 2.72Å; C98-H193 WeakPolarHBondContact CB-NE2 3.5Å; C98-H193 PolarHBondContact SG-CE1 2.78Å; C98-H193 PolarHBondContact SG-NE2 3.33Å; C98-H193 VanDerWaalsContact SG-NE2 3.44Å; L99-H193 WeakPolarHBondContact CB-O 3.34Å; L99-H193 PolarHBondContact N-O 3.21Å; Y113-H193 AromaticContact CE1-CE1 3.78Å; Y113-H193 AromaticContact CE1-NE2 3.6Å; Y113-H193 AromaticContact CZ-NE2 3.56Å; Y113-H193 PolarHBondContact OH-NE2 3.41Å; H193-S201 WeakPolarHBondContact CA-OG 3.42Å
194C94Very high85.2Confident5 Ų530.5 Ų30.53%0.03417%0.169CC..  trans-131.1-143.3165.963.60000106A75 L99 G197 R200 S201A75-C194 WeakPolarHBondContact CA-O 3.4Å; A75-C194 WeakPolarHBondContact CB-O 3.25Å; A75-C194 PolarHBondContact N-O 2.66Å; L99-C194 HydrophobicContact CB-CB 4.08Å; C194-G197 PolarHBondContact SG-N 3.49Å; C194-R200 HydrophobicContact CB-CB 3.9Å; C194-S201 WeakPolarHBondContact CB-OG 3.18Å; C194-S201 PolarHBondContact N-OG 2.82Å; C194-S201 PolarHBondContact SG-OG 3.48Å
195S96.5Very high87.7Confident9 Ų923.6 Ų23.66%0.06313%0.132CC..SBendtrans-68-67.1173.1-163.10000112Y35 Q74 A75 K109Y35-S195 WeakPolarHBondContact CE2-OG 3.21Å; Y35-S195 PolarHBondContact OH-OG 3.02Å; Q74-S195 WeakPolarHBondContact CA-O 3.48Å; A75-S195 PolarHBondContact N-O 3.18Å; K109-S195 WeakPolarHBondContact CA-OG 3.29Å; K109-S195 WeakPolarHBondContact O-CA 3.42Å; K109-S195 PolarHBondContact O-OG 2.96Å; K109-S195 VanDerWaalsContact O-OG 3.11Å
196A97.1Very high90.1Very high10 Ų1014.9 Ų14.98%0.0839%0.085CC..SBendtrans-86.2-12.5-179.900000114.1Y35 I38 I198 R233Y35-A196 HydrophobicContact CD2-CB 3.55Å; Y35-A196 HydrophobicContact CE2-CB 3.71Å; I38-A196 HydrophobicContact CG1-CB 4.07Å; I38-A196 HydrophobicContact CG2-CB 4.33Å; A196-I198 HydrophobicContact CB-CG1 3.98Å; A196-R233 PolarHBondContact O-NH2 3.16Å
197G97.1Very high91.9Very high0 Ų09.3 Ų9.30%05%0.051CC..SBendtrans75.518.5-17600000115.5M72 C73 C194 R233M72-G197 VanDerWaalsContact CE-O 3.27Å; M72-G197 WeakPolarHBondContact CE-O 3.48Å; C73-G197 WeakPolarHBondContact O-CA 3.42Å; C194-G197 PolarHBondContact SG-N 3.49Å; G197-R233 PolarHBondContact O-NE 3.41Å
198I97.3Very high93.2Very high0 Ų05.3 Ų5.30%03%0.03CC..SBendtrans-124.6-42.2-177.560.6158.9000114.5I38 A196 G202 R233 A234 L235 A236 V237 Q238I38-I198 HydrophobicContact CD1-CD1 3.6Å; I38-I198 HydrophobicContact CG1-CD1 4.36Å; I38-I198 HydrophobicContact CG2-CD1 4.01Å; I38-I198 HydrophobicContact CG2-CG1 4.25Å; I38-I198 HydrophobicContact CG2-CG2 3.84Å; A196-I198 HydrophobicContact CB-CG1 3.98Å; I198-G202 WeakPolarHBondContact O-CA 3.41Å; I198-G202 PolarHBondContact O-N 3.01Å; I198-R233 HydrophobicContact CG2-CG 4.06Å; I198-A234 WeakPolarHBondContact CG2-O 3.47Å; I198-L235 HydrophobicContact CD1-CB 3.85Å; I198-A236 WeakPolarHBondContact O-CA 3.27Å; I198-V237 PolarHBondContact O-N 2.88Å; I198-Q238 HydrophobicContact CD1-CB 4.03Å; I198-Q238 HydrophobicContact CD1-CG 3.81Å; I198-Q238 HydrophobicContact CG1-CB 4.35Å
199G94.1Very high93.8Very high2 Ų24.6 Ų4.62%0.0212%0.024CC..Hα-helixtrans-72.8-87.7-175.200000112.8S201 G202 T203G199-S201 VanDerWaalsContact C-N 3.26Å; G199-S201 PolarHBondContact O-N 2.92Å; G199-G202 PolarHBondContact O-N 3.39Å; G199-T203 WeakPolarHBondContact O-CB 3.12Å; G199-T203 PolarHBondContact O-N 3.21Å; G199-T203 PolarHBondContact O-OG1 3.27Å
200R92.1Very high93.8Very high41 Ų414 Ų416%0.1552%0.021CC..Hα-helixtrans-52.7-42.9175.3-72.3177.9-88.9-172.5-13.6112.4L99 T100 E104 W167 C194 T203 L204L99-R200 HydrophobicContact CB-CB 4.14Å; L99-R200 HydrophobicContact CD1-CB 4.16Å; L99-R200 VanDerWaalsContact O-CD 3.29Å; L99-R200 WeakPolarHBondContact O-CD 3.44Å; L99-R200 VanDerWaalsContact O-CZ 3.23Å; L99-R200 PolarHBondContact O-NE 3.38Å; L99-R200 PolarHBondContact O-NH1 2.91Å; T100-R200 PolarHBondContact OG1-NH2 3.31Å; E104-R200 IonicContact OE1-CZ 3.61Å; E104-R200 IonicContact OE1-NH1 3.58Å; E104-R200 PolarHBondContact OE1-NH1 3.45Å; E104-R200 IonicContact OE1-NH2 3.6Å; E104-R200 PolarHBondContact OE1-NH2 3.3Å; E104-R200 IonicContact OE2-CZ 2.8Å; E104-R200 IonicContact OE2-NH1 3.37Å; E104-R200 IonicContact OE2-NH2 2.84Å; E104-R200 PolarHBondContact OE2-NH2 2.99Å; W167-R200 HydrophobicContact CB-CG 4.5Å; W167-R200 HydrophobicContact CD2-CB 4.25Å; W167-R200 HydrophobicContact CD2-CG 3.72Å; W167-R200 HydrophobicContact CE3-CB 3.79Å; W167-R200 HydrophobicContact CE3-CG 3.75Å; W167-R200 HydrophobicContact CG-CG 4.03Å; W167-R200 HydrophobicContact CH2-CB 4.44Å; W167-R200 VanDerWaalsContact CH2-O 3.3Å; W167-R200 WeakPolarHBondContact CH2-O 3.37Å; W167-R200 HydrophobicContact CZ3-CB 3.9Å; W167-R200 HydrophobicContact CZ3-CG 4.3Å; W167-R200 WeakPolarHBondContact CZ3-O 3.04Å; C194-R200 HydrophobicContact CB-CB 3.9Å; R200-T203 PolarHBondContact O-N 3.42Å; R200-L204 PolarHBondContact O-N 3.36Å
201S93.9Very high93.6Very high0 Ų04.6 Ų4.60%02%0.023CC..Hα-helixtrans-62.1-48.3178.6-540000112.7H193 C194 G199 T203 L204 A205H193-S201 WeakPolarHBondContact CA-OG 3.42Å; C194-S201 WeakPolarHBondContact CB-OG 3.18Å; C194-S201 PolarHBondContact N-OG 2.82Å; C194-S201 PolarHBondContact SG-OG 3.48Å; G199-S201 VanDerWaalsContact C-N 3.26Å; G199-S201 PolarHBondContact O-N 2.92Å; S201-T203 VanDerWaalsContact C-N 3.26Å; S201-T203 PolarHBondContact O-N 3.35Å; S201-L204 PolarHBondContact O-N 3.34Å; S201-A205 WeakPolarHBondContact O-CB 3.22Å; S201-A205 PolarHBondContact O-N 3.46Å
202G94.8Very high93.1Very high0 Ų07.3 Ų7.30%04%0.035CC..Hα-helixtrans-66.7-33.2177.900000111.9I198 G199 A205 A206I198-G202 WeakPolarHBondContact O-CA 3.41Å; I198-G202 PolarHBondContact O-N 3.01Å; G199-G202 PolarHBondContact O-N 3.39Å; G202-A205 PolarHBondContact O-N 3Å; G202-A206 WeakPolarHBondContact O-CB 3.39Å; G202-A206 PolarHBondContact O-N 3.37Å
203T92.9Very high92.9Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-66.6-44.7176.4-48.30000111.3W167 G199 R200 S201 A206 L207 Q242 F245 I246W167-T203 HydrophobicContact CH2-CG2 3.82Å; W167-T203 HydrophobicContact CZ2-CG2 3.43Å; W167-T203 VanDerWaalsContact CZ2-CG2 3.43Å; G199-T203 WeakPolarHBondContact O-CB 3.12Å; G199-T203 PolarHBondContact O-N 3.21Å; G199-T203 PolarHBondContact O-OG1 3.27Å; R200-T203 PolarHBondContact O-N 3.42Å; S201-T203 VanDerWaalsContact C-N 3.26Å; S201-T203 PolarHBondContact O-N 3.35Å; T203-A206 PolarHBondContact O-N 3.48Å; T203-L207 HydrophobicContact CG2-CD1 4.29Å; T203-L207 WeakPolarHBondContact O-CB 3.4Å; T203-L207 VanDerWaalsContact O-CG 3.29Å; T203-L207 WeakPolarHBondContact O-CG 3.45Å; T203-L207 PolarHBondContact O-N 3.42Å; T203-Q242 WeakPolarHBondContact OG1-CB 3.37Å; T203-F245 HydrophobicContact CG2-CD1 3.88Å; T203-F245 HydrophobicContact CG2-CE1 4.27Å; T203-I246 HydrophobicContact CG2-CD1 4.14Å; T203-I246 HydrophobicContact CG2-CG1 3.72Å
204L91.3Very high92.5Very high0 Ų08.8 Ų8.80%04%0.044CC..Hα-helixtrans-64.2-46.4175179.161.7000111.2A97 L99 W167 F178 I192 R200 S201 A206 L207 L208A97-L204 HydrophobicContact CB-CD2 4.29Å; L99-L204 HydrophobicContact CD1-CB 3.99Å; L99-L204 HydrophobicContact CD1-CD2 3.87Å; L99-L204 HydrophobicContact CD2-CD2 3.9Å; L99-L204 HydrophobicContact CG-CD2 4.4Å; W167-L204 HydrophobicContact CH2-CB 4.24Å; W167-L204 HydrophobicContact CZ3-CB 4.22Å; F178-L204 HydrophobicContact CD1-CD2 4.13Å; F178-L204 HydrophobicContact CD2-CD1 3.64Å; F178-L204 HydrophobicContact CD2-CD2 3.99Å; F178-L204 HydrophobicContact CD2-CG 4.47Å; F178-L204 HydrophobicContact CE1-CD2 4.04Å; F178-L204 HydrophobicContact CE2-CD1 3.9Å; F178-L204 HydrophobicContact CE2-CD2 3.88Å; F178-L204 HydrophobicContact CG-CD1 4.26Å; F178-L204 HydrophobicContact CG-CD2 4.1Å; F178-L204 HydrophobicContact CZ-CD2 3.9Å; I192-L204 HydrophobicContact CD1-CD2 4.44Å; I192-L204 HydrophobicContact CG2-CD2 4.11Å; R200-L204 PolarHBondContact O-N 3.36Å; S201-L204 PolarHBondContact O-N 3.34Å; L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.07Å; L204-L207 PolarHBondContact O-N 2.95Å; L204-L208 HydrophobicContact CD1-CD1 4.09Å; L204-L208 HydrophobicContact CD1-CD2 4.46Å; L204-L208 HydrophobicContact CD1-CG 3.97Å; L204-L208 HydrophobicContact CD2-CD1 4.47Å; L204-L208 HydrophobicContact CG-CD1 3.84Å; L204-L208 HydrophobicContact CG-CG 4.21Å; L204-L208 WeakPolarHBondContact O-CB 3.43Å; L204-L208 VanDerWaalsContact O-CG 3.26Å; L204-L208 WeakPolarHBondContact O-CG 3.19Å; L204-L208 PolarHBondContact O-N 2.79Å
205A92.3Very high92Very high0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-57.7-43.7177.900000111.8M72 I192 S201 G202 L208 R209 L229M72-A205 HydrophobicContact SD-CB 3.81Å; I192-A205 HydrophobicContact CD1-CB 4.44Å; S201-A205 WeakPolarHBondContact O-CB 3.22Å; S201-A205 PolarHBondContact O-N 3.46Å; G202-A205 PolarHBondContact O-N 3Å; A205-L208 PolarHBondContact O-N 3.43Å; A205-R209 WeakPolarHBondContact O-CG 3.4Å; A205-R209 PolarHBondContact O-N 2.9Å; A205-L229 HydrophobicContact CB-CD1 4.26Å; A205-L229 HydrophobicContact CB-CD2 4.14Å
206A93.3Very high91.6Very high0 Ų015.5 Ų15.50%08%0.076CC..Hα-helixtrans-61.9-48.5175.700000111.8G202 T203 L204 L208 R209 L210 V225 V226 L229 I246G202-A206 WeakPolarHBondContact O-CB 3.39Å; G202-A206 PolarHBondContact O-N 3.37Å; T203-A206 PolarHBondContact O-N 3.48Å; L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.07Å; A206-L208 VanDerWaalsContact C-N 3.33Å; A206-L208 PolarHBondContact O-N 3.49Å; A206-R209 PolarHBondContact O-N 3.39Å; A206-L210 HydrophobicContact CB-CD1 4.48Å; A206-L210 WeakPolarHBondContact O-CB 3.39Å; A206-L210 WeakPolarHBondContact O-CD1 3.46Å; A206-L210 VanDerWaalsContact O-CG 3.22Å; A206-L210 WeakPolarHBondContact O-CG 3.29Å; A206-L210 PolarHBondContact O-N 2.94Å; A206-V225 HydrophobicContact CB-CG1 4.18Å; A206-V226 HydrophobicContact CB-CG2 4.22Å; A206-L229 HydrophobicContact CB-CD1 3.63Å; A206-I246 HydrophobicContact CB-CD1 3.78Å
207L91.2Very high91.1Very high0 Ų018.5 Ų18.50%011%0.108CC..Hα-helixtrans-60.6-41.7179.8-75172000112.3P173 T203 L204 L210 Q211 F245 I246 T249P173-L207 HydrophobicContact CG-CD1 3.88Å; T203-L207 HydrophobicContact CG2-CD1 4.29Å; T203-L207 WeakPolarHBondContact O-CB 3.4Å; T203-L207 VanDerWaalsContact O-CG 3.29Å; T203-L207 WeakPolarHBondContact O-CG 3.45Å; T203-L207 PolarHBondContact O-N 3.42Å; L204-L207 PolarHBondContact O-N 2.95Å; L207-L210 PolarHBondContact O-N 3.43Å; L207-Q211 WeakPolarHBondContact O-CB 3.34Å; L207-Q211 PolarHBondContact O-N 2.99Å; L207-F245 HydrophobicContact CD1-CE1 4.13Å; L207-I246 HydrophobicContact CD2-CB 4.42Å; L207-I246 HydrophobicContact CD2-CG1 4.43Å; L207-I246 HydrophobicContact CD2-CG2 4.08Å; L207-I246 HydrophobicContact CG-CG1 4.38Å; L207-T249 HydrophobicContact CD1-CG2 4.21Å; L207-T249 HydrophobicContact CD2-CG2 3.61Å
208L88.9Confident90.7Very high5 Ų523.9 Ų23.93%0.02613%0.133CC..Hα-helixtrans-61.5-45.3178.2-73.9171.9000112L66 F178 L181 I192 L204 A205 A206 K212L66-L208 HydrophobicContact CD1-CB 3.72Å; L66-L208 HydrophobicContact CD1-CD1 4.16Å; L66-L208 HydrophobicContact CD2-CB 3.9Å; L66-L208 HydrophobicContact CG-CB 4.35Å; F178-L208 HydrophobicContact CB-CD2 3.97Å; L181-L208 HydrophobicContact CD1-CD1 3.52Å; L181-L208 HydrophobicContact CD1-CD2 4.16Å; L181-L208 HydrophobicContact CD1-CG 4.44Å; I192-L208 HydrophobicContact CD1-CD1 4.19Å; L204-L208 HydrophobicContact CD1-CD1 4.09Å; L204-L208 HydrophobicContact CD1-CD2 4.46Å; L204-L208 HydrophobicContact CD1-CG 3.97Å; L204-L208 HydrophobicContact CD2-CD1 4.47Å; L204-L208 HydrophobicContact CG-CD1 3.84Å; L204-L208 HydrophobicContact CG-CG 4.21Å; L204-L208 WeakPolarHBondContact O-CB 3.43Å; L204-L208 VanDerWaalsContact O-CG 3.26Å; L204-L208 WeakPolarHBondContact O-CG 3.19Å; L204-L208 PolarHBondContact O-N 2.79Å; A205-L208 PolarHBondContact O-N 3.43Å; A206-L208 VanDerWaalsContact C-N 3.33Å; A206-L208 PolarHBondContact O-N 3.49Å; L208-K212 PolarHBondContact O-N 2.9Å
209R90.5Very high90.3Very high7 Ų728.4 Ų28.43%0.02617%0.17CC..Hα-helixtrans-62.8-50.7176.2-66.7-176.764.8-160.6-9.2111.3C63 E65 A205 A206 Q211 K212 T213 V225 Q228C63-R209 HydrophobicContact CB-CG 4Å; E65-R209 IonicContact OE1-CZ 3.39Å; E65-R209 IonicContact OE1-NE 2.96Å; E65-R209 PolarHBondContact OE1-NE 2.87Å; E65-R209 IonicContact OE1-NH2 3.88Å; E65-R209 PolarHBondContact OE1-NH2 3.41Å; E65-R209 WeakPolarHBondContact OE2-CG 2.97Å; E65-R209 IonicContact OE2-CZ 2.79Å; E65-R209 IonicContact OE2-NE 2.76Å; E65-R209 PolarHBondContact OE2-NE 3Å; E65-R209 IonicContact OE2-NH2 2.98Å; A205-R209 WeakPolarHBondContact O-CG 3.4Å; A205-R209 PolarHBondContact O-N 2.9Å; A206-R209 PolarHBondContact O-N 3.39Å; R209-Q211 PolarHBondContact O-N 2.96Å; R209-K212 PolarHBondContact O-N 3.17Å; R209-T213 PolarHBondContact O-N 2.97Å; R209-T213 PolarHBondContact O-OG1 2.86Å; R209-T213 VanDerWaalsContact O-OG1 3.05Å; R209-V225 HydrophobicContact CB-CG1 4.16Å; R209-Q228 VanDerWaalsContact NH1-OE1 3.08Å
210L91.6Very high90.2Very high0 Ų030.7 Ų30.70%019%0.185CC..Hα-helixtrans-64.8-39-178-69.5162.8000112.8A206 L207 K212 T213 I214 P220 I222 V225 I246 L250A206-L210 HydrophobicContact CB-CD1 4.48Å; A206-L210 WeakPolarHBondContact O-CB 3.39Å; A206-L210 WeakPolarHBondContact O-CD1 3.46Å; A206-L210 VanDerWaalsContact O-CG 3.22Å; A206-L210 WeakPolarHBondContact O-CG 3.29Å; A206-L210 PolarHBondContact O-N 2.94Å; L207-L210 PolarHBondContact O-N 3.43Å; L210-K212 VanDerWaalsContact C-N 3.27Å; L210-K212 PolarHBondContact O-N 3.46Å; L210-T213 WeakPolarHBondContact O-CB 3.5Å; L210-T213 PolarHBondContact O-N 3.35Å; L210-I214 PolarHBondContact O-N 2.96Å; L210-P220 HydrophobicContact CD2-CB 3.82Å; L210-I222 HydrophobicContact CD1-CB 4.46Å; L210-I222 HydrophobicContact CD1-CG1 3.81Å; L210-I222 HydrophobicContact CD2-CG1 4.09Å; L210-V225 HydrophobicContact CD2-CB 4.23Å; L210-V225 HydrophobicContact CD2-CG2 3.75Å; L210-V225 HydrophobicContact CG-CB 4.36Å; L210-V225 HydrophobicContact CG-CG1 4.28Å; L210-V225 HydrophobicContact CG-CG2 4.16Å; L210-I246 HydrophobicContact CD1-CG2 3.38Å; L210-L250 HydrophobicContact CB-CD1 3.84Å; L210-L250 HydrophobicContact CB-CD2 4.28Å; L210-L250 HydrophobicContact CD1-CD2 4.44Å; L210-L250 HydrophobicContact CD2-CD2 4.3Å
211Q88Confident90.4Very high14 Ų1433.2 Ų33.27%0.06520%0.201CC..Hα-helixtrans-58.1-44.3174.8-178.2-172.1-29.900109.9N179 L207 R209 I214 E215 M253N179-Q211 PolarHBondContact OD1-NE2 3.21Å; L207-Q211 WeakPolarHBondContact O-CB 3.34Å; L207-Q211 PolarHBondContact O-N 2.99Å; R209-Q211 PolarHBondContact O-N 2.96Å; Q211-I214 WeakPolarHBondContact O-CG1 3.43Å; Q211-I214 PolarHBondContact O-N 2.81Å; Q211-E215 HydrophobicContact CG-CG 4.45Å; Q211-E215 PolarHBondContact NE2-OE1 3.45Å; Q211-E215 WeakPolarHBondContact O-CB 3.48Å; Q211-E215 VanDerWaalsContact O-CG 3.29Å; Q211-E215 WeakPolarHBondContact O-CG 3.5Å; Q211-E215 PolarHBondContact O-N 2.67Å; Q211-M253 HydrophobicContact CB-SD 4.25Å; Q211-M253 HydrophobicContact CG-SD 4.28Å
212K87Confident90.5Very high57 Ų5733.6 Ų33.625%0.24820%0.204CC..Hα-helixtrans-69.4-36.1178.3-172.859.7170.2148.20112.7E65 L208 R209 L210 I214 E215 N216E65-K212 HydrophobicContact CB-CB 3.75Å; E65-K212 HydrophobicContact CB-CG 3.74Å; E65-K212 WeakPolarHBondContact O-CG 3.42Å; L208-K212 PolarHBondContact O-N 2.9Å; R209-K212 PolarHBondContact O-N 3.17Å; L210-K212 VanDerWaalsContact C-N 3.27Å; L210-K212 PolarHBondContact O-N 3.46Å; K212-I214 PolarHBondContact O-N 3.26Å; K212-E215 HydrophobicContact CD-CB 4.39Å; K212-E215 WeakPolarHBondContact CD-OE2 3.3Å; K212-E215 PolarHBondContact O-N 3.23Å; K212-N216 WeakPolarHBondContact CE-OD1 3.4Å; K212-N216 PolarHBondContact NZ-OD1 2.76Å; K212-N216 WeakPolarHBondContact O-CB 3.48Å; K212-N216 PolarHBondContact O-N 2.51Å; K212-N216 PolarHBondContact O-ND2 3.28Å
213T89Confident90.6Very high17 Ų1738.4 Ų38.410%0.10422%0.222CC..Hα-helixtrans-55.6-49.3172.1-51.70000111.2R209 L210 N216 G217 Q218R209-T213 PolarHBondContact O-N 2.97Å; R209-T213 PolarHBondContact O-OG1 2.86Å; R209-T213 VanDerWaalsContact O-OG1 3.05Å; L210-T213 WeakPolarHBondContact O-CB 3.5Å; L210-T213 PolarHBondContact O-N 3.35Å; T213-N216 PolarHBondContact O-N 2.73Å; T213-G217 PolarHBondContact O-N 3.35Å; T213-Q218 HydrophobicContact CG2-CB 3.63Å; T213-Q218 WeakPolarHBondContact O-CB 3.3Å; T213-Q218 PolarHBondContact O-N 3.14Å
214I88.7Confident90.7Very high18 Ų1840.2 Ų40.29%0.09223%0.234CC..Hα-helixtrans-70.6-36.517964.1172.7000112.6L210 Q211 K212 N216 G217 P220 L250 M253 L257L210-I214 PolarHBondContact O-N 2.96Å; Q211-I214 WeakPolarHBondContact O-CG1 3.43Å; Q211-I214 PolarHBondContact O-N 2.81Å; K212-I214 PolarHBondContact O-N 3.26Å; I214-N216 PolarHBondContact O-N 2.94Å; I214-G217 PolarHBondContact O-N 3.31Å; I214-P220 HydrophobicContact CG2-CB 3.98Å; I214-P220 HydrophobicContact CG2-CG 3.72Å; I214-L250 HydrophobicContact CD1-CD1 3.79Å; I214-L250 HydrophobicContact CG1-CD1 4.42Å; I214-L250 HydrophobicContact CG2-CD1 4.06Å; I214-M253 HydrophobicContact CD1-CB 3.7Å; I214-L257 HydrophobicContact CB-CD1 4.47Å; I214-L257 HydrophobicContact CD1-CD1 3.79Å; I214-L257 HydrophobicContact CG1-CD1 3.95Å
215E85.3Confident91Very high72 Ų7240.6 Ų40.634%0.33624%0.237SC..Hα-helixtrans-60.5-32174-78.4175.5-176.400111.6K182 Q211 K212 G217K182-E215 IonicContact NZ-OE1 3.72Å; K182-E215 IonicContact NZ-OE2 2.87Å; K182-E215 PolarHBondContact NZ-OE2 3.21Å; Q211-E215 HydrophobicContact CG-CG 4.45Å; Q211-E215 PolarHBondContact NE2-OE1 3.45Å; Q211-E215 WeakPolarHBondContact O-CB 3.48Å; Q211-E215 VanDerWaalsContact O-CG 3.29Å; Q211-E215 WeakPolarHBondContact O-CG 3.5Å; Q211-E215 PolarHBondContact O-N 2.67Å; K212-E215 HydrophobicContact CD-CB 4.39Å; K212-E215 WeakPolarHBondContact CD-OE2 3.3Å; K212-E215 PolarHBondContact O-N 3.23Å; E215-G217 PolarHBondContact O-N 3.29Å
216N86.2Confident91.2Very high83 Ų8340.6 Ų40.644%0.44424%0.237SC..THydrogen-bonded Turntrans-83.66.3175.6-65.3-13.3000113.1K212 T213 I214 Q218K212-N216 WeakPolarHBondContact CE-OD1 3.4Å; K212-N216 PolarHBondContact NZ-OD1 2.76Å; K212-N216 WeakPolarHBondContact O-CB 3.48Å; K212-N216 PolarHBondContact O-N 2.51Å; K212-N216 PolarHBondContact O-ND2 3.28Å; T213-N216 PolarHBondContact O-N 2.73Å; I214-N216 PolarHBondContact O-N 2.94Å; N216-Q218 VanDerWaalsContact C-N 3.28Å; N216-Q218 HydrophobicContact CB-CG 4.37Å; N216-Q218 PolarHBondContact O-N 2.95Å
217G86.7Confident91.4Very high73 Ų7344.1 Ų44.175%0.75325%0.253SS*.THydrogen-bonded Turntrans7414.3-18000000114.7T213 I214 E215T213-G217 PolarHBondContact O-N 3.35Å; I214-G217 PolarHBondContact O-N 3.31Å; E215-G217 PolarHBondContact O-N 3.29Å
218Q88.7Confident91.6Very high113 Ų11347.4 Ų47.453%0.52827%0.269SS..PPolyproline II helixtrans-93.3146.1-179-60.4173.8-65.500110.9T213 N216T213-Q218 HydrophobicContact CG2-CB 3.63Å; T213-Q218 WeakPolarHBondContact O-CB 3.3Å; T213-Q218 PolarHBondContact O-N 3.14Å; N216-Q218 VanDerWaalsContact C-N 3.28Å; N216-Q218 HydrophobicContact CB-CG 4.37Å; N216-Q218 PolarHBondContact O-N 2.95Å
219A90.1Very high92Very high94 Ų9447.2 Ų47.278%0.77727%0.267SS*.PPolyproline II helixtrans-67.6125.1174.800000110.3
220P92.6Very high92.3Very high51 Ų5147.7 Ų47.733%0.33127%0.269SS..PPolyproline II helixtrans-76.9143.1-178.929.8-32.7000111.9L210 I214 L250L210-P220 HydrophobicContact CD2-CB 3.82Å; I214-P220 HydrophobicContact CG2-CB 3.98Å; I214-P220 HydrophobicContact CG2-CG 3.72Å; P220-L250 HydrophobicContact CB-CD2 3.45Å; P220-L250 VanDerWaalsContact CB-CD2 3.45Å; P220-L250 HydrophobicContact CG-CD2 3.47Å; P220-L250 VanDerWaalsContact CG-CD2 3.47Å; P220-L250 HydrophobicContact CG-CG 4.3Å
221N95.1Very high92.6Very high93 Ų9352.9 Ų52.950%0.49729%0.294SS..  trans-121.793.2171.8-172.5-29.6000110.1R223 S224 V225N221-R223 PolarHBondContact O-N 3.29Å; N221-R223 PolarHBondContact OD1-N 2.86Å; N221-S224 VanDerWaalsContact CG-CB 3.42Å; N221-S224 PolarHBondContact O-N 2.82Å; N221-S224 WeakPolarHBondContact OD1-CB 3.49Å; N221-S224 PolarHBondContact OD1-N 3.1Å; N221-V225 WeakPolarHBondContact O-CG2 3.19Å; N221-V225 PolarHBondContact O-N 3.16Å
222I95.8Very high93.1Very high9 Ų953.5 Ų53.55%0.04630%0.296CS..Hα-helixtrans-61.1-46.8-175.1-65.9165.9000111.1L210 S224 V225 V226 Y243 I246 Y247 L250L210-I222 HydrophobicContact CD1-CB 4.46Å; L210-I222 HydrophobicContact CD1-CG1 3.81Å; L210-I222 HydrophobicContact CD2-CG1 4.09Å; I222-S224 PolarHBondContact O-N 3.2Å; I222-V225 PolarHBondContact O-N 2.97Å; I222-V226 HydrophobicContact CG2-CG2 4.37Å; I222-V226 WeakPolarHBondContact O-CG2 3.29Å; I222-V226 PolarHBondContact O-N 3.07Å; I222-Y243 HydrophobicContact CG2-CE2 3.93Å; I222-I246 HydrophobicContact CD1-CG2 4.17Å; I222-I246 HydrophobicContact CG1-CG2 4.05Å; I222-I246 HydrophobicContact CG2-CB 4.31Å; I222-I246 HydrophobicContact CG2-CG2 3.74Å; I222-Y247 HydrophobicContact CB-CE1 4.46Å; I222-Y247 HydrophobicContact CB-CE2 3.9Å; I222-Y247 HydrophobicContact CD1-CD1 3.4Å; I222-Y247 HydrophobicContact CD1-CD2 3.74Å; I222-Y247 HydrophobicContact CD1-CE1 3.51Å; I222-Y247 HydrophobicContact CD1-CE2 3.85Å; I222-Y247 HydrophobicContact CD1-CG 3.51Å; I222-Y247 HydrophobicContact CG1-CE1 4.49Å; I222-Y247 HydrophobicContact CG1-CE2 4.49Å; I222-Y247 HydrophobicContact CG2-CD2 4.03Å; I222-Y247 HydrophobicContact CG2-CE2 3.6Å; I222-L250 HydrophobicContact CD1-CD2 3.78Å; I222-L250 HydrophobicContact CG1-CD2 3.85Å
223R97.1Very high93.6Very high100 Ų10050.8 Ų50.838%0.37729%0.285SS..Hα-helixtrans-57.1-48.3179-172.5-171.1-177.3-167.4-5.2111.8E8 T11 L12 N221 V226 Q227 Y243E8-R223 HydrophobicContact CG-CB 4.17Å; E8-R223 HydrophobicContact CG-CG 3.89Å; T11-R223 VanDerWaalsContact OG1-CZ 3.31Å; T11-R223 PolarHBondContact OG1-NE 3.22Å; T11-R223 PolarHBondContact OG1-NH2 2.74Å; L12-R223 HydrophobicContact CD2-CG 4.13Å; N221-R223 PolarHBondContact O-N 3.29Å; N221-R223 PolarHBondContact OD1-N 2.86Å; R223-V226 PolarHBondContact O-N 3.46Å; R223-Q227 VanDerWaalsContact O-CB 3.23Å; R223-Q227 WeakPolarHBondContact O-CB 3.33Å; R223-Q227 PolarHBondContact O-N 2.72Å; R223-Y243 WeakPolarHBondContact CA-OH 3.39Å; R223-Y243 WeakPolarHBondContact CB-OH 3.36Å; R223-Y243 PolarHBondContact N-OH 2.7Å
224S96.3Very high94Very high38 Ų3850 Ų5027%0.26628%0.28SS..Hα-helixtrans-63.4-44.2-179.3-172.70000111.7N221 I222 Q227 Q228N221-S224 VanDerWaalsContact CG-CB 3.42Å; N221-S224 PolarHBondContact O-N 2.82Å; N221-S224 WeakPolarHBondContact OD1-CB 3.49Å; N221-S224 PolarHBondContact OD1-N 3.1Å; I222-S224 PolarHBondContact O-N 3.2Å; S224-Q227 PolarHBondContact O-N 3.49Å; S224-Q228 WeakPolarHBondContact O-CB 3.48Å; S224-Q228 VanDerWaalsContact O-CG 3.25Å; S224-Q228 WeakPolarHBondContact O-CG 3.48Å; S224-Q228 PolarHBondContact O-N 2.61Å; S224-Q228 PolarHBondContact OG-NE2 3.48Å
225V96Very high94.5Very high9 Ų950.9 Ų50.96%0.05529%0.285CS..Hα-helixtrans-61.3-47.8177.3169.90000111A206 R209 L210 N221 I222 Q227 Q228 L229A206-V225 HydrophobicContact CB-CG1 4.18Å; R209-V225 HydrophobicContact CB-CG1 4.16Å; L210-V225 HydrophobicContact CD2-CB 4.23Å; L210-V225 HydrophobicContact CD2-CG2 3.75Å; L210-V225 HydrophobicContact CG-CB 4.36Å; L210-V225 HydrophobicContact CG-CG1 4.28Å; L210-V225 HydrophobicContact CG-CG2 4.16Å; N221-V225 WeakPolarHBondContact O-CG2 3.19Å; N221-V225 PolarHBondContact O-N 3.16Å; I222-V225 PolarHBondContact O-N 2.97Å; V225-Q227 PolarHBondContact O-N 3.29Å; V225-Q228 PolarHBondContact O-N 3.38Å; V225-L229 HydrophobicContact CG1-CD1 4.27Å; V225-L229 WeakPolarHBondContact O-CG 3.43Å; V225-L229 PolarHBondContact O-N 3.32Å
226V97.2Very high95.1Very high0 Ų047.5 Ų47.50%027%0.269CS..Hα-helixtrans-67.3-37.6179.9179.60000111.5L12 A206 I222 R223 Q228 L229 R230 V237 Y243 I246L12-V226 HydrophobicContact CD1-CB 4.41Å; L12-V226 HydrophobicContact CD1-CG1 3.69Å; L12-V226 HydrophobicContact CD2-CB 4.34Å; L12-V226 HydrophobicContact CD2-CG1 4.26Å; A206-V226 HydrophobicContact CB-CG2 4.22Å; I222-V226 HydrophobicContact CG2-CG2 4.37Å; I222-V226 WeakPolarHBondContact O-CG2 3.29Å; I222-V226 PolarHBondContact O-N 3.07Å; R223-V226 PolarHBondContact O-N 3.46Å; V226-Q228 PolarHBondContact O-N 2.87Å; V226-L229 PolarHBondContact O-N 2.92Å; V226-R230 WeakPolarHBondContact O-CG 3.32Å; V226-R230 PolarHBondContact O-N 3.31Å; V226-V237 HydrophobicContact CG1-CB 3.93Å; V226-V237 HydrophobicContact CG1-CG2 3.88Å; V226-V237 HydrophobicContact CG2-CG2 4.02Å; V226-Y243 HydrophobicContact CB-CE2 4Å; V226-Y243 HydrophobicContact CG1-CD2 4.35Å; V226-Y243 HydrophobicContact CG1-CE2 4.21Å; V226-Y243 HydrophobicContact CG2-CD2 4.12Å; V226-Y243 HydrophobicContact CG2-CE2 3.81Å; V226-I246 HydrophobicContact CG2-CD1 4.04Å
227Q97.5Very high95.5Very high74 Ų7443.5 Ų43.535%0.34625%0.248SC..Hα-helixtrans-59.4-46.7173.5179176.9-1.300111.7L12 P13 R223 S224 V225 L229 R230 Q231L12-Q227 HydrophobicContact CD2-CB 4.07Å; P13-Q227 HydrophobicContact CG-CG 4.01Å; R223-Q227 VanDerWaalsContact O-CB 3.23Å; R223-Q227 WeakPolarHBondContact O-CB 3.33Å; R223-Q227 PolarHBondContact O-N 2.72Å; S224-Q227 PolarHBondContact O-N 3.49Å; V225-Q227 PolarHBondContact O-N 3.29Å; Q227-L229 VanDerWaalsContact C-N 3.34Å; Q227-L229 PolarHBondContact O-N 2.78Å; Q227-R230 PolarHBondContact O-N 3.3Å; Q227-Q231 WeakPolarHBondContact O-CG 3.43Å; Q227-Q231 PolarHBondContact O-N 3.02Å; Q227-Q231 VanDerWaalsContact O-N 3.14Å
228Q96.2Very high95.8Very high69 Ų6944.6 Ų44.632%0.32223%0.233SC..Hα-helixtrans-64.3-37.5176.3-70.2169.214.600112.2R209 S224 V225 V226 Q231 Q232R209-Q228 VanDerWaalsContact NH1-OE1 3.08Å; S224-Q228 WeakPolarHBondContact O-CB 3.48Å; S224-Q228 VanDerWaalsContact O-CG 3.25Å; S224-Q228 WeakPolarHBondContact O-CG 3.48Å; S224-Q228 PolarHBondContact O-N 2.61Å; S224-Q228 PolarHBondContact OG-NE2 3.48Å; V225-Q228 PolarHBondContact O-N 3.38Å; V226-Q228 PolarHBondContact O-N 2.87Å; Q228-Q231 PolarHBondContact O-N 2.8Å; Q228-Q232 WeakPolarHBondContact O-CG 3.31Å; Q228-Q232 PolarHBondContact O-NE2 3.34Å
229L96.7Very high96Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-62.5-43.4173.4-71.9175000110.9V61 A205 A206 V225 V226 Q227 Q231 Q232 R233 A236V61-L229 HydrophobicContact CG1-CD2 3.31Å; A205-L229 HydrophobicContact CB-CD1 4.26Å; A205-L229 HydrophobicContact CB-CD2 4.14Å; A206-L229 HydrophobicContact CB-CD1 3.63Å; V225-L229 HydrophobicContact CG1-CD1 4.27Å; V225-L229 WeakPolarHBondContact O-CG 3.43Å; V225-L229 PolarHBondContact O-N 3.32Å; V226-L229 PolarHBondContact O-N 2.92Å; Q227-L229 VanDerWaalsContact C-N 3.34Å; Q227-L229 PolarHBondContact O-N 2.78Å; L229-Q231 VanDerWaalsContact C-N 3.27Å; L229-Q231 PolarHBondContact O-N 2.55Å; L229-Q232 CarbonylContact O-C 3.56Å; L229-Q232 PolarHBondContact O-N 3.2Å; L229-R233 PolarHBondContact O-N 2.77Å; L229-A236 HydrophobicContact CB-CB 4.04Å
230R97.7Very high96Very high17 Ų1736.1 Ų36.16%0.06418%0.182CC..Hα-helixtrans-65.8-26.5179.1-73.2-164.8177-1750.4114.2Y9 P13 V226 Q227 Q232 R233 A234 A236 V237Y9-R230 PolarHBondContact OH-NH2 3.42Å; P13-R230 HydrophobicContact CB-CB 4.32Å; P13-R230 HydrophobicContact CG-CB 4.49Å; P13-R230 WeakPolarHBondContact O-CD 3.46Å; P13-R230 PolarHBondContact O-NH1 3.18Å; V226-R230 WeakPolarHBondContact O-CG 3.32Å; V226-R230 PolarHBondContact O-N 3.31Å; Q227-R230 PolarHBondContact O-N 3.3Å; R230-Q232 PolarHBondContact O-N 3.42Å; R230-R233 WeakPolarHBondContact CA-O 3.49Å; R230-A234 WeakPolarHBondContact O-CA 3.41Å; R230-A236 HydrophobicContact CG-CB 4.26Å; R230-A236 WeakPolarHBondContact CG-O 3.3Å; R230-A236 PolarHBondContact NE-O 2.81Å; R230-V237 PolarHBondContact NH2-O 3.34Å
231Q97Very high95.8Very high110 Ų11037.3 Ų37.351%0.51418%0.183SC..THydrogen-bonded Turntrans-71.1-15.5172.1-69.9171-900113.2L41 Q227 Q228 L229L41-Q231 WeakPolarHBondContact CD1-O 3.08Å; Q227-Q231 WeakPolarHBondContact O-CG 3.43Å; Q227-Q231 PolarHBondContact O-N 3.02Å; Q227-Q231 VanDerWaalsContact O-N 3.14Å; Q228-Q231 PolarHBondContact O-N 2.8Å; L229-Q231 VanDerWaalsContact C-N 3.27Å; L229-Q231 PolarHBondContact O-N 2.55Å
232Q97.5Very high95.6Very high26 Ų2634.9 Ų34.912%0.12117%0.169CC..THydrogen-bonded Turntrans-114.5-34.1-176.6-61.4-177.975.900112.8T44 N59 V61 Q228 L229 R230T44-Q232 HydrophobicContact CG2-CB 4.29Å; T44-Q232 HydrophobicContact CG2-CG 4.4Å; T44-Q232 PolarHBondContact OG1-O 3.45Å; N59-Q232 WeakPolarHBondContact CB-O 3.39Å; V61-Q232 HydrophobicContact CG2-CB 4.33Å; Q228-Q232 WeakPolarHBondContact O-CG 3.31Å; Q228-Q232 PolarHBondContact O-NE2 3.34Å; L229-Q232 CarbonylContact O-C 3.56Å; L229-Q232 PolarHBondContact O-N 3.2Å; R230-Q232 PolarHBondContact O-N 3.42Å
233R98.1Very high95.4Very high0 Ų034.4 Ų34.40%017%0.167CC..SBendtrans-134.8101.5170.1-178.469.5172.9-168.8-0107.7H57 N59 V61 M72 A196 G197 I198 L229 R230 L235 A236H57-R233 PolarHBondContact CE1-NH2 3.43Å; H57-R233 PolarHBondContact ND1-NH1 2.92Å; H57-R233 PolarHBondContact ND1-NH2 2.61Å; H57-R233 PolarHBondContact O-NH1 3.14Å; H57-R233 VanDerWaalsContact O-NH1 3.11Å; H57-R233 PolarHBondContact O-NH2 3.33Å; N59-R233 HydrophobicContact CB-CB 4.42Å; N59-R233 WeakPolarHBondContact OD1-CD 3.45Å; N59-R233 PolarHBondContact OD1-NH1 3.24Å; V61-R233 HydrophobicContact CG2-CB 4.07Å; M72-R233 HydrophobicContact CB-CG 4.2Å; M72-R233 HydrophobicContact CE-CB 4.36Å; M72-R233 HydrophobicContact CE-CG 3.95Å; M72-R233 PolarHBondContact O-NH1 2.95Å; M72-R233 HydrophobicContact SD-CB 4.48Å; A196-R233 PolarHBondContact O-NH2 3.16Å; G197-R233 PolarHBondContact O-NE 3.41Å; I198-R233 HydrophobicContact CG2-CG 4.06Å; L229-R233 PolarHBondContact O-N 2.77Å; R230-R233 WeakPolarHBondContact CA-O 3.49Å; R233-L235 PolarHBondContact O-N 3.27Å; R233-A236 VanDerWaalsContact O-CB 3.27Å; R233-A236 WeakPolarHBondContact O-CB 3.19Å; R233-A236 PolarHBondContact O-N 3.16Å; R233-A236 VanDerWaalsContact O-N 3.15Å
234A98.2Very high95.2Very high2 Ų229.7 Ų29.72%0.01715%0.149CC..THydrogen-bonded Turntrans-49.7140.1-176.500000112P16 P39 L41 I198 R230 A236P16-A234 HydrophobicContact CG-CB 4.12Å; P39-A234 HydrophobicContact CG-CB 3.84Å; L41-A234 HydrophobicContact CD1-CB 4.14Å; L41-A234 HydrophobicContact CD2-CB 4.16Å; L41-A234 HydrophobicContact CG-CB 3.95Å; I198-A234 WeakPolarHBondContact CG2-O 3.47Å; R230-A234 WeakPolarHBondContact O-CA 3.41Å; A234-A236 PolarHBondContact O-N 2.86Å; A234-A236 VanDerWaalsContact O-N 3.1Å
235L97.8Very high94.8Very high36 Ų3628.1 Ų28.119%0.18814%0.137CC..THydrogen-bonded Turntrans60.415.2178.3-48.6177.8000115.4G14 I198 R233 V237G14-L235 WeakPolarHBondContact O-CD2 3.37Å; I198-L235 HydrophobicContact CD1-CB 3.85Å; R233-L235 PolarHBondContact O-N 3.27Å; L235-V237 CarbonylContact O-C 3.57Å; L235-V237 PolarHBondContact O-N 3.45Å
236A97.9Very high94.6Very high0 Ų027.7 Ų27.70%014%0.135CC..  trans-49.7138170.200000111.2M72 I198 L229 R230 R233 A234M72-A236 HydrophobicContact CE-CB 4.41Å; I198-A236 WeakPolarHBondContact O-CA 3.27Å; L229-A236 HydrophobicContact CB-CB 4.04Å; R230-A236 HydrophobicContact CG-CB 4.26Å; R230-A236 WeakPolarHBondContact CG-O 3.3Å; R230-A236 PolarHBondContact NE-O 2.81Å; R233-A236 VanDerWaalsContact O-CB 3.27Å; R233-A236 WeakPolarHBondContact O-CB 3.19Å; R233-A236 PolarHBondContact O-N 3.16Å; R233-A236 VanDerWaalsContact O-N 3.15Å; A234-A236 PolarHBondContact O-N 2.86Å; A234-A236 VanDerWaalsContact O-N 3.1Å
237V95.5Very high94.3Very high0 Ų030.1 Ų30.10%014%0.144CC..SBendtrans59.185.4-165.4-168.60000109.4Y9 I198 V226 R230 L235 Q242 Y243 I246Y9-V237 WeakPolarHBondContact CE2-O 3.39Å; Y9-V237 PolarHBondContact OH-O 2.82Å; I198-V237 PolarHBondContact O-N 2.88Å; V226-V237 HydrophobicContact CG1-CB 3.93Å; V226-V237 HydrophobicContact CG1-CG2 3.88Å; V226-V237 HydrophobicContact CG2-CG2 4.02Å; R230-V237 PolarHBondContact NH2-O 3.34Å; L235-V237 CarbonylContact O-C 3.57Å; L235-V237 PolarHBondContact O-N 3.45Å; V237-Q242 HydrophobicContact CG1-CB 3.76Å; V237-Y243 HydrophobicContact CG1-CD2 4.23Å; V237-I246 HydrophobicContact CG1-CD1 3.98Å; V237-I246 HydrophobicContact CG2-CD1 3.84Å
238Q93.9Very high93.8Very high96 Ų9626.6 Ų26.645%0.44913%0.128SC..  trans-80.8-28-162.8-173.4-176.815.400113.6Y9 I198Y9-Q238 PolarHBondContact OH-O 3.05Å; I198-Q238 HydrophobicContact CD1-CB 4.03Å; I198-Q238 HydrophobicContact CD1-CG 3.81Å; I198-Q238 HydrophobicContact CG1-CB 4.35Å
239G91.3Very high93.4Very high16 Ų1623.4 Ų23.417%0.16511%0.113CC..SBendtrans-119.8154.2-176.900000112.5E241 Q242 Y243G239-E241 PolarHBondContact O-N 3.44Å; G239-Q242 WeakPolarHBondContact O-CB 3.4Å; G239-Q242 PolarHBondContact O-N 3.09Å; G239-Y243 PolarHBondContact O-N 3.4Å; G239-Y243 VanDerWaalsContact O-N 3.1Å
240I91.3Very high93Very high13 Ų1323.8 Ų23.87%0.06712%0.115CC..Hα-helixtrans-61.5-34.5172.9177.562.4000111L5 R6 Y9 Q242 Y243 I244L5-I240 WeakPolarHBondContact O-CD1 3.4Å; R6-I240 HydrophobicContact CG-CD1 4.01Å; R6-I240 HydrophobicContact CG-CG1 3.78Å; Y9-I240 HydrophobicContact CD1-CB 4.23Å; Y9-I240 HydrophobicContact CD1-CD1 4.37Å; Y9-I240 HydrophobicContact CG-CD1 3.98Å; I240-Q242 VanDerWaalsContact C-N 3.31Å; I240-Q242 PolarHBondContact O-N 3.1Å; I240-Y243 HydrophobicContact CD1-CD1 4.29Å; I240-Y243 WeakPolarHBondContact O-CB 3.36Å; I240-Y243 PolarHBondContact O-N 2.88Å; I240-Y243 VanDerWaalsContact O-N 3.09Å; I240-I244 HydrophobicContact CD1-CD1 4Å; I240-I244 HydrophobicContact CD1-CG1 3.87Å; I240-I244 HydrophobicContact CG1-CD1 3.69Å; I240-I244 HydrophobicContact CG1-CG1 4.02Å; I240-I244 WeakPolarHBondContact O-CB 3.47Å; I240-I244 VanDerWaalsContact O-CG1 3.29Å; I240-I244 WeakPolarHBondContact O-CG1 3.16Å; I240-I244 PolarHBondContact O-N 3.43Å
241E87.6Confident92.5Very high75 Ų7525.3 Ų25.335%0.3512%0.123SC..Hα-helixtrans-60.3-44.1177.1-59.876.2-166.200110G239 Y243 F245 T279G239-E241 PolarHBondContact O-N 3.44Å; E241-Y243 VanDerWaalsContact C-N 3.31Å; E241-Y243 PolarHBondContact O-N 3.06Å; E241-F245 WeakPolarHBondContact O-CB 3.25Å; E241-F245 PolarHBondContact O-N 2.93Å; E241-T279 WeakPolarHBondContact O-CG2 3.29Å
242Q90Very high91.8Very high42 Ų4221.6 Ų21.620%0.19611%0.106CC..Hα-helixtrans-65.9-36175.1-69.6168-4.900111.9T203 V237 G239 I240 F245 I246T203-Q242 WeakPolarHBondContact OG1-CB 3.37Å; V237-Q242 HydrophobicContact CG1-CB 3.76Å; G239-Q242 WeakPolarHBondContact O-CB 3.4Å; G239-Q242 PolarHBondContact O-N 3.09Å; I240-Q242 VanDerWaalsContact C-N 3.31Å; I240-Q242 PolarHBondContact O-N 3.1Å; Q242-F245 WeakPolarHBondContact O-CB 3.48Å; Q242-F245 PolarHBondContact O-N 3.42Å; Q242-I246 WeakPolarHBondContact O-CG1 3.41Å; Q242-I246 PolarHBondContact O-N 3.43Å; Q242-I246 VanDerWaalsContact O-N 3.16Å
243Y93.5Very high91.2Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-67.7-48.6177.8-167.6-108000112.3E8 Y9 L12 I222 R223 V226 V237 G239 I240 E241 F245 I246 Y247E8-Y243 HydrophobicContact CB-CE1 4.46Å; E8-Y243 HydrophobicContact CG-CE1 4.37Å; E8-Y243 VanDerWaalsContact OE1-CE1 3.29Å; E8-Y243 WeakPolarHBondContact OE1-CE1 3.12Å; E8-Y243 VanDerWaalsContact OE1-CZ 3.29Å; E8-Y243 PolarHBondContact OE1-OH 2.87Å; Y9-Y243 HydrophobicContact CD2-CD1 4.07Å; Y9-Y243 AromaticContact CD2-CD2 3.91Å; Y9-Y243 HydrophobicContact CD2-CD2 3.91Å; Y9-Y243 AromaticContact CD2-CG 3.6Å; Y9-Y243 HydrophobicContact CD2-CG 3.6Å; Y9-Y243 HydrophobicContact CE2-CG 4.42Å; Y9-Y243 HydrophobicContact CG-CD1 4.44Å; Y9-Y243 HydrophobicContact CG-CG 4.38Å; L12-Y243 HydrophobicContact CD1-CD2 4.11Å; L12-Y243 HydrophobicContact CD1-CE2 3.81Å; I222-Y243 HydrophobicContact CG2-CE2 3.93Å; R223-Y243 WeakPolarHBondContact CA-OH 3.39Å; R223-Y243 WeakPolarHBondContact CB-OH 3.36Å; R223-Y243 PolarHBondContact N-OH 2.7Å; V226-Y243 HydrophobicContact CB-CE2 4Å; V226-Y243 HydrophobicContact CG1-CD2 4.35Å; V226-Y243 HydrophobicContact CG1-CE2 4.21Å; V226-Y243 HydrophobicContact CG2-CD2 4.12Å; V226-Y243 HydrophobicContact CG2-CE2 3.81Å; V237-Y243 HydrophobicContact CG1-CD2 4.23Å; G239-Y243 PolarHBondContact O-N 3.4Å; G239-Y243 VanDerWaalsContact O-N 3.1Å; I240-Y243 HydrophobicContact CD1-CD1 4.29Å; I240-Y243 WeakPolarHBondContact O-CB 3.36Å; I240-Y243 PolarHBondContact O-N 2.88Å; I240-Y243 VanDerWaalsContact O-N 3.09Å; E241-Y243 VanDerWaalsContact C-N 3.31Å; E241-Y243 PolarHBondContact O-N 3.06Å; Y243-F245 PolarHBondContact O-N 3.39Å; Y243-I246 WeakPolarHBondContact O-CB 3.48Å; Y243-I246 PolarHBondContact O-N 3.19Å; Y243-I246 VanDerWaalsContact O-N 3.14Å; Y243-Y247 HydrophobicContact CD1-CD2 4.46Å; Y243-Y247 HydrophobicContact CD1-CE2 4.17Å; Y243-Y247 HydrophobicContact CE1-CD2 4.32Å; Y243-Y247 AromaticContact CE1-CE2 3.59Å; Y243-Y247 HydrophobicContact CE1-CE2 3.59Å; Y243-Y247 AromaticContact CZ-CE2 3.91Å; Y243-Y247 PolarHBondContact O-N 2.76Å
244I91Very high90.4Very high0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-60.4-35.9173.6-67.7177.7000110.4V2 L5 I240 I246 Y247 R248 L275 A278 T279V2-I244 HydrophobicContact CG1-CD1 4.11Å; L5-I244 HydrophobicContact CB-CG1 4.13Å; L5-I244 HydrophobicContact CD1-CG1 3.9Å; L5-I244 HydrophobicContact CD1-CG2 4.49Å; I240-I244 HydrophobicContact CD1-CD1 4Å; I240-I244 HydrophobicContact CD1-CG1 3.87Å; I240-I244 HydrophobicContact CG1-CD1 3.69Å; I240-I244 HydrophobicContact CG1-CG1 4.02Å; I240-I244 WeakPolarHBondContact O-CB 3.47Å; I240-I244 VanDerWaalsContact O-CG1 3.29Å; I240-I244 WeakPolarHBondContact O-CG1 3.16Å; I240-I244 PolarHBondContact O-N 3.43Å; I244-I246 VanDerWaalsContact C-N 3.3Å; I244-I246 PolarHBondContact O-N 2.97Å; I244-Y247 WeakPolarHBondContact O-CB 3.35Å; I244-Y247 PolarHBondContact O-N 3.37Å; I244-R248 PolarHBondContact O-N 3.33Å; I244-L275 HydrophobicContact CG2-CB 3.94Å; I244-L275 HydrophobicContact CG2-CD2 3.52Å; I244-L275 HydrophobicContact CG2-CG 4.3Å; I244-A278 HydrophobicContact CD1-CB 3.94Å; I244-A278 HydrophobicContact CG2-CB 4.12Å; I244-T279 HydrophobicContact CB-CG2 3.69Å; I244-T279 HydrophobicContact CG2-CG2 3.39Å
245F88.5Confident89.6Confident6 Ų627 Ų273%0.02613%0.132CC..Hα-helixtrans-63.1-35176.7178.7-90.9000113W167 K171 A172 P173 T203 L207 E241 Q242 Y243 R248 T249 T279W167-F245 AromaticContact CE2-CE1 3.91Å; W167-F245 AromaticContact CE2-CZ 4Å; W167-F245 HydrophobicContact CZ2-CD1 4.23Å; W167-F245 AromaticContact CZ2-CE1 3.59Å; W167-F245 HydrophobicContact CZ2-CE1 3.59Å; W167-F245 HydrophobicContact CZ2-CZ 4.15Å; W167-F245 AromaticContact NE1-CE1 3.81Å; W167-F245 AromaticContact NE1-CZ 3.56Å; K171-F245 WeakPolarHBondContact O-CE2 3.32Å; K171-F245 WeakPolarHBondContact O-CZ 3.44Å; A172-F245 VanDerWaalsContact CA-CZ 3.43Å; A172-F245 HydrophobicContact CB-CZ 4.36Å; P173-F245 HydrophobicContact CG-CE1 4.3Å; T203-F245 HydrophobicContact CG2-CD1 3.88Å; T203-F245 HydrophobicContact CG2-CE1 4.27Å; L207-F245 HydrophobicContact CD1-CE1 4.13Å; E241-F245 WeakPolarHBondContact O-CB 3.25Å; E241-F245 PolarHBondContact O-N 2.93Å; Q242-F245 WeakPolarHBondContact O-CB 3.48Å; Q242-F245 PolarHBondContact O-N 3.42Å; Y243-F245 PolarHBondContact O-N 3.39Å; F245-R248 PolarHBondContact O-N 2.93Å; F245-T249 VanDerWaalsContact O-CB 3.31Å; F245-T249 WeakPolarHBondContact O-CB 3.25Å; F245-T249 PolarHBondContact O-N 3.36Å; F245-T249 PolarHBondContact O-OG1 3.12Å; F245-T279 HydrophobicContact CB-CG2 3.86Å
246I91.8Very high88.7Confident0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-62.7-47.8173.4-64.7163.2000110T203 A206 L207 L210 I222 V226 V237 Q242 Y243 I244 R248 T249 L250T203-I246 HydrophobicContact CG2-CD1 4.14Å; T203-I246 HydrophobicContact CG2-CG1 3.72Å; A206-I246 HydrophobicContact CB-CD1 3.78Å; L207-I246 HydrophobicContact CD2-CB 4.42Å; L207-I246 HydrophobicContact CD2-CG1 4.43Å; L207-I246 HydrophobicContact CD2-CG2 4.08Å; L207-I246 HydrophobicContact CG-CG1 4.38Å; L210-I246 HydrophobicContact CD1-CG2 3.38Å; I222-I246 HydrophobicContact CD1-CG2 4.17Å; I222-I246 HydrophobicContact CG1-CG2 4.05Å; I222-I246 HydrophobicContact CG2-CB 4.31Å; I222-I246 HydrophobicContact CG2-CG2 3.74Å; V226-I246 HydrophobicContact CG2-CD1 4.04Å; V237-I246 HydrophobicContact CG1-CD1 3.98Å; V237-I246 HydrophobicContact CG2-CD1 3.84Å; Q242-I246 WeakPolarHBondContact O-CG1 3.41Å; Q242-I246 PolarHBondContact O-N 3.43Å; Q242-I246 VanDerWaalsContact O-N 3.16Å; Y243-I246 WeakPolarHBondContact O-CB 3.48Å; Y243-I246 PolarHBondContact O-N 3.19Å; Y243-I246 VanDerWaalsContact O-N 3.14Å; I244-I246 VanDerWaalsContact C-N 3.3Å; I244-I246 PolarHBondContact O-N 2.97Å; I246-R248 PolarHBondContact O-N 3.31Å; I246-T249 PolarHBondContact O-N 2.79Å; I246-L250 WeakPolarHBondContact O-CB 3.38Å; I246-L250 PolarHBondContact O-N 3.18Å
247Y92.2Very high87.8Confident50 Ų5037.5 Ų37.520%0.19618%0.18CC..Hα-helixtrans-55.3-51175.1-84.6-88.7000111.6L5 E8 I222 Y243 I244 T249 L250 M251L5-Y247 HydrophobicContact CD1-CD2 4.44Å; L5-Y247 HydrophobicContact CD1-CG 4.47Å; L5-Y247 HydrophobicContact CD2-CD1 4.25Å; L5-Y247 HydrophobicContact CD2-CD2 3.82Å; L5-Y247 HydrophobicContact CD2-CE1 4.01Å; L5-Y247 HydrophobicContact CD2-CE2 3.55Å; L5-Y247 HydrophobicContact CD2-CG 4.17Å; E8-Y247 PolarHBondContact OE1-OH 3.14Å; E8-Y247 PolarHBondContact OE2-OH 3.47Å; I222-Y247 HydrophobicContact CB-CE1 4.46Å; I222-Y247 HydrophobicContact CB-CE2 3.9Å; I222-Y247 HydrophobicContact CD1-CD1 3.4Å; I222-Y247 HydrophobicContact CD1-CD2 3.74Å; I222-Y247 HydrophobicContact CD1-CE1 3.51Å; I222-Y247 HydrophobicContact CD1-CE2 3.85Å; I222-Y247 HydrophobicContact CD1-CG 3.51Å; I222-Y247 HydrophobicContact CG1-CE1 4.49Å; I222-Y247 HydrophobicContact CG1-CE2 4.49Å; I222-Y247 HydrophobicContact CG2-CD2 4.03Å; I222-Y247 HydrophobicContact CG2-CE2 3.6Å; Y243-Y247 HydrophobicContact CD1-CD2 4.46Å; Y243-Y247 HydrophobicContact CD1-CE2 4.17Å; Y243-Y247 HydrophobicContact CE1-CD2 4.32Å; Y243-Y247 AromaticContact CE1-CE2 3.59Å; Y243-Y247 HydrophobicContact CE1-CE2 3.59Å; Y243-Y247 AromaticContact CZ-CE2 3.91Å; Y243-Y247 PolarHBondContact O-N 2.76Å; I244-Y247 WeakPolarHBondContact O-CB 3.35Å; I244-Y247 PolarHBondContact O-N 3.37Å; Y247-T249 PolarHBondContact O-N 3.1Å; Y247-L250 PolarHBondContact O-N 3.23Å; Y247-M251 VanDerWaalsContact O-CG 3.25Å; Y247-M251 WeakPolarHBondContact O-CG 3.46Å; Y247-M251 PolarHBondContact O-N 2.91Å
248R87.2Confident86.8Confident1 Ų141.9 Ų41.90%0.00420%0.201CC..Hα-helixtrans-55.5-51.2179.1-178.2-177.972.8178.620.4111.6D169 I244 F245 I246 L250 M251 E252 I272 L275 R276 T279D169-R248 PolarHBondContact O-NH1 3.47Å; D169-R248 PolarHBondContact O-NH2 3.09Å; I244-R248 PolarHBondContact O-N 3.33Å; F245-R248 PolarHBondContact O-N 2.93Å; I246-R248 PolarHBondContact O-N 3.31Å; R248-L250 VanDerWaalsContact C-N 3.34Å; R248-L250 PolarHBondContact O-N 3.39Å; R248-M251 PolarHBondContact O-N 3.25Å; R248-E252 WeakPolarHBondContact O-CG 3.45Å; R248-E252 PolarHBondContact O-N 3.41Å; R248-E252 VanDerWaalsContact O-N 3.12Å; R248-I272 HydrophobicContact CG-CG2 4.21Å; R248-L275 HydrophobicContact CB-CB 3.92Å; R248-L275 HydrophobicContact CB-CD1 4.11Å; R248-L275 HydrophobicContact CG-CB 4.25Å; R248-R276 HydrophobicContact CG-CG 4.42Å; R248-T279 PolarHBondContact NH1-OG1 3.36Å
249T86.8Confident85.3Confident2 Ų248.6 Ų48.61%0.01222%0.222CC..Hα-helixtrans-64.2-41.9-176.7-580000111A172 L207 F245 I246 Y247 E252 M253A172-T249 HydrophobicContact CB-CG2 3.61Å; A172-T249 WeakPolarHBondContact CB-OG1 3.49Å; L207-T249 HydrophobicContact CD1-CG2 4.21Å; L207-T249 HydrophobicContact CD2-CG2 3.61Å; F245-T249 VanDerWaalsContact O-CB 3.31Å; F245-T249 WeakPolarHBondContact O-CB 3.25Å; F245-T249 PolarHBondContact O-N 3.36Å; F245-T249 PolarHBondContact O-OG1 3.12Å; I246-T249 PolarHBondContact O-N 2.79Å; Y247-T249 PolarHBondContact O-N 3.1Å; T249-E252 PolarHBondContact O-N 3.47Å; T249-M253 HydrophobicContact CG2-CE 3.64Å; T249-M253 HydrophobicContact CG2-CG 4.42Å; T249-M253 HydrophobicContact CG2-SD 4.06Å; T249-M253 VanDerWaalsContact O-CG 3.3Å; T249-M253 WeakPolarHBondContact O-CG 3.37Å; T249-M253 PolarHBondContact O-N 3.12Å
250L88.4Confident83.7Confident7 Ų754.3 Ų54.34%0.03724%0.239CC..Hα-helixtrans-68.1-39-179.1-162.366.3000112.1L210 I214 P220 I222 I246 Y247 R248 E252 M253 T254L210-L250 HydrophobicContact CB-CD1 3.84Å; L210-L250 HydrophobicContact CB-CD2 4.28Å; L210-L250 HydrophobicContact CD1-CD2 4.44Å; L210-L250 HydrophobicContact CD2-CD2 4.3Å; I214-L250 HydrophobicContact CD1-CD1 3.79Å; I214-L250 HydrophobicContact CG1-CD1 4.42Å; I214-L250 HydrophobicContact CG2-CD1 4.06Å; P220-L250 HydrophobicContact CB-CD2 3.45Å; P220-L250 VanDerWaalsContact CB-CD2 3.45Å; P220-L250 HydrophobicContact CG-CD2 3.47Å; P220-L250 VanDerWaalsContact CG-CD2 3.47Å; P220-L250 HydrophobicContact CG-CG 4.3Å; I222-L250 HydrophobicContact CD1-CD2 3.78Å; I222-L250 HydrophobicContact CG1-CD2 3.85Å; I246-L250 WeakPolarHBondContact O-CB 3.38Å; I246-L250 PolarHBondContact O-N 3.18Å; Y247-L250 PolarHBondContact O-N 3.23Å; R248-L250 VanDerWaalsContact C-N 3.34Å; R248-L250 PolarHBondContact O-N 3.39Å; L250-E252 VanDerWaalsContact C-N 3.33Å; L250-E252 PolarHBondContact O-N 2.89Å; L250-M253 HydrophobicContact CD1-SD 4.5Å; L250-M253 PolarHBondContact O-N 2.94Å; L250-T254 PolarHBondContact O-N 3.42Å; L250-T254 PolarHBondContact O-OG1 3.33Å
251M86.3Confident81.9Confident50 Ų5058.7 Ų58.725%0.24627%0.268CS..Hα-helixtrans-59.3-44.5172.5-70.8174.869.200111.8Y247 R248 Y255 L268 H271 I272 L275Y247-M251 VanDerWaalsContact O-CG 3.25Å; Y247-M251 WeakPolarHBondContact O-CG 3.46Å; Y247-M251 PolarHBondContact O-N 2.91Å; R248-M251 PolarHBondContact O-N 3.25Å; M251-Y255 WeakPolarHBondContact O-CB 3.44Å; M251-Y255 PolarHBondContact O-N 3Å; M251-Y255 VanDerWaalsContact O-N 3.12Å; M251-L268 HydrophobicContact CB-CD1 4.3Å; M251-L268 HydrophobicContact CE-CD1 3.45Å; M251-L268 VanDerWaalsContact CE-CD1 3.45Å; M251-H271 HydrophobicContact CE-CB 3.61Å; M251-I272 HydrophobicContact CB-CG1 4.21Å; M251-I272 HydrophobicContact CE-CG1 4.33Å; M251-L275 HydrophobicContact SD-CD1 3.62Å
252E82.9Confident80.6Confident32 Ų3263.9 Ų63.915%0.1529%0.289CS..Hα-helixtrans-63.1-41175.4-72.8178.8-169.400112.4R248 T249 L250 K256 I272 R276R248-E252 WeakPolarHBondContact O-CG 3.45Å; R248-E252 PolarHBondContact O-N 3.41Å; R248-E252 VanDerWaalsContact O-N 3.12Å; T249-E252 PolarHBondContact O-N 3.47Å; L250-E252 VanDerWaalsContact C-N 3.33Å; L250-E252 PolarHBondContact O-N 2.89Å; E252-K256 WeakPolarHBondContact O-CG 3.29Å; E252-K256 PolarHBondContact O-N 2.74Å; E252-I272 HydrophobicContact CG-CD1 3.73Å; E252-I272 HydrophobicContact CG-CG1 4.28Å; E252-I272 HydrophobicContact CG-CG2 4.11Å; E252-I272 WeakPolarHBondContact OE1-CG2 3.28Å; E252-R276 IonicContact OE1-CZ 2.74Å; E252-R276 IonicContact OE1-NE 2.68Å; E252-R276 IonicContact OE1-NH2 3.51Å; E252-R276 PolarHBondContact OE1-NH2 3.28Å
253M84Confident79Confident35 Ų3571.3 Ų71.317%0.17232%0.324CS..Hα-helixtrans-65.6-50.2178.1-73.1174170.400112.1C175 Q211 I214 T249 L250 Y255 K256 L257C175-M253 HydrophobicContact CB-CE 3.75Å; Q211-M253 HydrophobicContact CB-SD 4.25Å; Q211-M253 HydrophobicContact CG-SD 4.28Å; I214-M253 HydrophobicContact CD1-CB 3.7Å; T249-M253 HydrophobicContact CG2-CE 3.64Å; T249-M253 HydrophobicContact CG2-CG 4.42Å; T249-M253 HydrophobicContact CG2-SD 4.06Å; T249-M253 VanDerWaalsContact O-CG 3.3Å; T249-M253 WeakPolarHBondContact O-CG 3.37Å; T249-M253 PolarHBondContact O-N 3.12Å; L250-M253 HydrophobicContact CD1-SD 4.5Å; L250-M253 PolarHBondContact O-N 2.94Å; M253-Y255 VanDerWaalsContact C-N 3.31Å; M253-Y255 PolarHBondContact O-N 3.17Å; M253-K256 PolarHBondContact O-N 2.78Å; M253-L257 PolarHBondContact O-N 3.35Å; M253-L257 VanDerWaalsContact O-N 3.09Å
254T83.2Confident77.8Confident44 Ų4474.1 Ų74.127%0.2734%0.344SS..Hα-helixtrans-59.5-43.6179.8-57.50000111L250 K256 L257 E258L250-T254 PolarHBondContact O-N 3.42Å; L250-T254 PolarHBondContact O-OG1 3.33Å; T254-K256 VanDerWaalsContact C-N 3.33Å; T254-K256 PolarHBondContact O-N 3.07Å; T254-L257 PolarHBondContact O-N 3.19Å; T254-L257 VanDerWaalsContact O-N 3.14Å; T254-E258 HydrophobicContact CG2-CG 4.35Å; T254-E258 WeakPolarHBondContact O-CG 3.39Å; T254-E258 PolarHBondContact O-N 3.35Å; T254-E258 VanDerWaalsContact O-N 3.1Å
255Y80.5Confident76.8Confident62 Ų6276.1 Ų76.124%0.24335%0.354CS..Hα-helixtrans-60.5-41.2177.5179.5-99.9000113.1M251 M253 L257 L265 L268M251-Y255 WeakPolarHBondContact O-CB 3.44Å; M251-Y255 PolarHBondContact O-N 3Å; M251-Y255 VanDerWaalsContact O-N 3.12Å; M253-Y255 VanDerWaalsContact C-N 3.31Å; M253-Y255 PolarHBondContact O-N 3.17Å; Y255-L257 VanDerWaalsContact C-N 3.31Å; Y255-L257 PolarHBondContact O-N 3.29Å; Y255-L265 HydrophobicContact CD1-CD1 4.46Å; Y255-L265 HydrophobicContact CE1-CD1 3.74Å; Y255-L265 HydrophobicContact CE2-CD1 3.82Å; Y255-L265 WeakPolarHBondContact OH-CD1 3.3Å; Y255-L268 VanDerWaalsContact CB-CD2 3.48Å; Y255-L268 HydrophobicContact CD1-CD2 4.3Å; Y255-L268 HydrophobicContact CD2-CD2 3.28Å; Y255-L268 HydrophobicContact CE2-CD2 4.12Å; Y255-L268 HydrophobicContact CG-CD2 3.39Å
256K79.5Confident76.2Confident157 Ų15777.9 Ų77.968%0.68337%0.374SS*.Hα-helixtrans-64.5-35.4176.2-73.9173.6-177.1175.50112.3E252 M253 T254E252-K256 WeakPolarHBondContact O-CG 3.29Å; E252-K256 PolarHBondContact O-N 2.74Å; M253-K256 PolarHBondContact O-N 2.78Å; T254-K256 VanDerWaalsContact C-N 3.33Å; T254-K256 PolarHBondContact O-N 3.07Å
257L78.2Confident75.6Confident99 Ų9984.5 Ų84.552%0.51841%0.405SS..Hα-helixtrans-70.1-40.4178.9-74.8170.8000112.6I214 M253 T254 Y255 R259I214-L257 HydrophobicContact CB-CD1 4.47Å; I214-L257 HydrophobicContact CD1-CD1 3.79Å; I214-L257 HydrophobicContact CG1-CD1 3.95Å; M253-L257 PolarHBondContact O-N 3.35Å; M253-L257 VanDerWaalsContact O-N 3.09Å; T254-L257 PolarHBondContact O-N 3.19Å; T254-L257 VanDerWaalsContact O-N 3.14Å; Y255-L257 VanDerWaalsContact C-N 3.31Å; Y255-L257 PolarHBondContact O-N 3.29Å; L257-R259 VanDerWaalsContact C-N 3.34Å; L257-R259 PolarHBondContact O-N 2.82Å
258E73.8Confident74.9Confident93 Ų9383.9 Ų83.944%0.43541%0.405SS..THydrogen-bonded Turntrans-79.9-4.1-170.3-64.4-169.9132.700115.6T254 R260T254-E258 HydrophobicContact CG2-CG 4.35Å; T254-E258 WeakPolarHBondContact O-CG 3.39Å; T254-E258 PolarHBondContact O-N 3.35Å; T254-E258 VanDerWaalsContact O-N 3.1Å; E258-R260 HydrophobicContact CB-CG 3.82Å; E258-R260 VanDerWaalsContact CD-NE 3.32Å; E258-R260 VanDerWaalsContact CD-NH2 3.34Å; E258-R260 WeakPolarHBondContact O-CG 3.36Å; E258-R260 PolarHBondContact O-N 3.43Å; E258-R260 IonicContact OE1-CZ 3.52Å; E258-R260 IonicContact OE1-NE 3.58Å; E258-R260 IonicContact OE1-NH2 3.58Å; E258-R260 PolarHBondContact OE1-NH2 2.82Å; E258-R260 IonicContact OE2-CZ 3.6Å; E258-R260 VanDerWaalsContact OE2-CZ 3.3Å; E258-R260 IonicContact OE2-NE 3.3Å; E258-R260 PolarHBondContact OE2-NE 3.12Å; E258-R260 IonicContact OE2-NH2 3.22Å; E258-R260 PolarHBondContact OE2-NH2 3.49Å
259R64.3Low74.6Confident237 Ų23787.4 Ų87.489%0.89442%0.423SS*.THydrogen-bonded Turntrans41.638.6179.9-65.6-170.5176.7-1800.3114.6L257L257-R259 VanDerWaalsContact C-N 3.34Å; L257-R259 PolarHBondContact O-N 2.82Å
260R56.4Low74.5Confident136 Ų13694.8 Ų94.851%0.51346%0.455SS..  trans-79.9155.6-170.3-71.9-166.3-166.8-150.94.3114.7E258E258-R260 HydrophobicContact CB-CG 3.82Å; E258-R260 VanDerWaalsContact CD-NE 3.32Å; E258-R260 VanDerWaalsContact CD-NH2 3.34Å; E258-R260 WeakPolarHBondContact O-CG 3.36Å; E258-R260 PolarHBondContact O-N 3.43Å; E258-R260 IonicContact OE1-CZ 3.52Å; E258-R260 IonicContact OE1-NE 3.58Å; E258-R260 IonicContact OE1-NH2 3.58Å; E258-R260 PolarHBondContact OE1-NH2 2.82Å; E258-R260 IonicContact OE2-CZ 3.6Å; E258-R260 VanDerWaalsContact OE2-CZ 3.3Å; E258-R260 IonicContact OE2-NE 3.3Å; E258-R260 PolarHBondContact OE2-NE 3.12Å; E258-R260 IonicContact OE2-NH2 3.22Å; E258-R260 PolarHBondContact OE2-NH2 3.49Å
261P54.4Low74.3Confident104 Ų10498.7 Ų98.768%0.67547%0.473SS*.  trans-65.4149.8177.8-14.829.3000112.8Q263P261-Q263 PolarHBondContact O-N 3.08Å
262K59.1Low74.1Confident184 Ų18496.6 Ų96.680%0.846%0.463SS*.G310 helixtrans-56.3-10.7-169.5-67.9-179.5178177.60116.9S264 L265K262-S264 PolarHBondContact O-N 2.97Å; K262-L265 VanDerWaalsContact O-CB 3.32Å; K262-L265 WeakPolarHBondContact O-CB 3.36Å; K262-L265 PolarHBondContact O-N 2.93Å
263Q57.7Low74.1Confident199 Ų19998.7 Ų98.793%0.9348%0.475SS*.G310 helixtrans-69.6-29.2-172.8-98.6174.9-21.100114.5P261P261-Q263 PolarHBondContact O-N 3.08Å
264S67.2Low74.1Confident59 Ų5999.3 Ų99.341%0.41349%0.486SS..G310 helixtrans-91.2-1.6175.265.60000114K262 L268K262-S264 PolarHBondContact O-N 2.97Å; S264-L268 PolarHBondContact O-N 3.39Å
265L70.5Confident74.1Confident41 Ų4197.3 Ų97.322%0.21547%0.473CS..Hα-helixtrans-70.7-37.2-172.5-177.854.2000112.5Y255 K262 E267 L268 L269Y255-L265 HydrophobicContact CD1-CD1 4.46Å; Y255-L265 HydrophobicContact CE1-CD1 3.74Å; Y255-L265 HydrophobicContact CE2-CD1 3.82Å; Y255-L265 WeakPolarHBondContact OH-CD1 3.3Å; K262-L265 VanDerWaalsContact O-CB 3.32Å; K262-L265 WeakPolarHBondContact O-CB 3.36Å; K262-L265 PolarHBondContact O-N 2.93Å; L265-E267 PolarHBondContact O-N 3.13Å; L265-L268 PolarHBondContact O-N 2.85Å; L265-L269 HydrophobicContact CD1-CD1 3.92Å; L265-L269 HydrophobicContact CD1-CD2 4.26Å; L265-L269 HydrophobicContact CD1-CG 3.75Å; L265-L269 HydrophobicContact CD2-CD1 4.31Å; L265-L269 HydrophobicContact CG-CD1 3.71Å; L265-L269 HydrophobicContact CG-CG 4.05Å; L265-L269 WeakPolarHBondContact O-CB 3.42Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.34Å; L265-L269 PolarHBondContact O-N 3.43Å
266G76.4Confident74Confident43 Ų4398.3 Ų98.344%0.44348%0.476SS..Hα-helixtrans-61.8-46.7-176.200000112.8L269 K270G266-L269 PolarHBondContact O-N 2.87Å; G266-K270 WeakPolarHBondContact O-CG 3.35Å; G266-K270 PolarHBondContact O-N 3.37Å
267E78.9Confident74Confident140 Ų14095.7 Ų95.765%0.65447%0.474SS*.Hα-helixtrans-67.8-40.9177.8-65.5-170.5153.200111.9L265 L269 K270 H271L265-E267 PolarHBondContact O-N 3.13Å; E267-L269 PolarHBondContact O-N 3.24Å; E267-K270 WeakPolarHBondContact O-CB 3.39Å; E267-K270 PolarHBondContact O-N 3.44Å; E267-H271 PolarHBondContact O-N 3.28Å; E267-H271 VanDerWaalsContact O-N 3.08Å; E267-H271 PolarHBondContact O-ND1 3.09Å
268L77.9Confident73.8Confident36 Ų3692 Ų9219%0.18846%0.458CS..Hα-helixtrans-61.3-46.5176.2-179.669.2000111.5M251 Y255 S264 L265 K270 H271 I272M251-L268 HydrophobicContact CB-CD1 4.3Å; M251-L268 HydrophobicContact CE-CD1 3.45Å; M251-L268 VanDerWaalsContact CE-CD1 3.45Å; Y255-L268 VanDerWaalsContact CB-CD2 3.48Å; Y255-L268 HydrophobicContact CD1-CD2 4.3Å; Y255-L268 HydrophobicContact CD2-CD2 3.28Å; Y255-L268 HydrophobicContact CE2-CD2 4.12Å; Y255-L268 HydrophobicContact CG-CD2 3.39Å; S264-L268 PolarHBondContact O-N 3.39Å; L265-L268 PolarHBondContact O-N 2.85Å; L268-K270 VanDerWaalsContact C-N 3.28Å; L268-K270 PolarHBondContact O-N 3Å; L268-H271 PolarHBondContact O-N 3.43Å; L268-H271 VanDerWaalsContact O-N 3.13Å; L268-I272 HydrophobicContact CD1-CD1 4.15Å; L268-I272 HydrophobicContact CD1-CG1 4.4Å; L268-I272 HydrophobicContact CD2-CD1 4.11Å; L268-I272 HydrophobicContact CG-CD1 3.72Å; L268-I272 HydrophobicContact CG-CG1 4.34Å; L268-I272 WeakPolarHBondContact O-CG1 3.3Å; L268-I272 PolarHBondContact O-N 2.86Å
269L80.6Confident73.7Confident76 Ų7688 Ų8840%0.39844%0.439SS..Hα-helixtrans-61.3-37.8177.4-73.8174000111.7L265 G266 E267 I272 N273L265-L269 HydrophobicContact CD1-CD1 3.92Å; L265-L269 HydrophobicContact CD1-CD2 4.26Å; L265-L269 HydrophobicContact CD1-CG 3.75Å; L265-L269 HydrophobicContact CD2-CD1 4.31Å; L265-L269 HydrophobicContact CG-CD1 3.71Å; L265-L269 HydrophobicContact CG-CG 4.05Å; L265-L269 WeakPolarHBondContact O-CB 3.42Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.34Å; L265-L269 PolarHBondContact O-N 3.43Å; G266-L269 PolarHBondContact O-N 2.87Å; E267-L269 PolarHBondContact O-N 3.24Å; L269-I272 PolarHBondContact O-N 3.09Å; L269-N273 VanDerWaalsContact O-CB 3.26Å; L269-N273 WeakPolarHBondContact O-CB 3.3Å; L269-N273 PolarHBondContact O-N 2.68Å; L269-N273 PolarHBondContact O-ND2 2.74Å
270K84.8Confident73.7Confident157 Ų15779.3 Ų79.368%0.68341%0.409SS*.Hα-helixtrans-59.1-46.3173.1-74.9175.7-177.9179.40111.4G266 E267 L268 A274G266-K270 WeakPolarHBondContact O-CG 3.35Å; G266-K270 PolarHBondContact O-N 3.37Å; E267-K270 WeakPolarHBondContact O-CB 3.39Å; E267-K270 PolarHBondContact O-N 3.44Å; L268-K270 VanDerWaalsContact C-N 3.28Å; L268-K270 PolarHBondContact O-N 3Å; K270-A274 WeakPolarHBondContact O-CB 3.37Å; K270-A274 PolarHBondContact O-N 3.18Å
271H84.3Confident73.5Confident89 Ų8980 Ų8041%0.41242%0.416SS..Hα-helixtrans-66.5-45177.7-69.290.8000112.2M251 E267 L268 N273 A274 L275M251-H271 HydrophobicContact CE-CB 3.61Å; E267-H271 PolarHBondContact O-N 3.28Å; E267-H271 VanDerWaalsContact O-N 3.08Å; E267-H271 PolarHBondContact O-ND1 3.09Å; L268-H271 PolarHBondContact O-N 3.43Å; L268-H271 VanDerWaalsContact O-N 3.13Å; H271-N273 VanDerWaalsContact C-N 3.33Å; H271-N273 PolarHBondContact O-N 3.15Å; H271-A274 PolarHBondContact O-N 3.29Å; H271-L275 WeakPolarHBondContact O-CG 3.39Å; H271-L275 PolarHBondContact O-N 3.03Å
272I80.8Confident73Confident6 Ų678.2 Ų78.23%0.03141%0.405CS..Hα-helixtrans-58.3-46.7176.8-71.3168.7000110.3R248 M251 E252 L268 L269 L275 R276R248-I272 HydrophobicContact CG-CG2 4.21Å; M251-I272 HydrophobicContact CB-CG1 4.21Å; M251-I272 HydrophobicContact CE-CG1 4.33Å; E252-I272 HydrophobicContact CG-CD1 3.73Å; E252-I272 HydrophobicContact CG-CG1 4.28Å; E252-I272 HydrophobicContact CG-CG2 4.11Å; E252-I272 WeakPolarHBondContact OE1-CG2 3.28Å; L268-I272 HydrophobicContact CD1-CD1 4.15Å; L268-I272 HydrophobicContact CD1-CG1 4.4Å; L268-I272 HydrophobicContact CD2-CD1 4.11Å; L268-I272 HydrophobicContact CG-CD1 3.72Å; L268-I272 HydrophobicContact CG-CG1 4.34Å; L268-I272 WeakPolarHBondContact O-CG1 3.3Å; L268-I272 PolarHBondContact O-N 2.86Å; L269-I272 PolarHBondContact O-N 3.09Å; I272-L275 PolarHBondContact O-N 3.22Å; I272-R276 WeakPolarHBondContact O-CG 3.42Å; I272-R276 PolarHBondContact O-N 3.23Å
273N83.2Confident71.9Confident76 Ų7676.1 Ų76.141%0.40640%0.403SS..Hα-helixtrans-65.4-40.7179.2-73-22.9000112.1L269 H271 L275 R276 T277L269-N273 VanDerWaalsContact O-CB 3.26Å; L269-N273 WeakPolarHBondContact O-CB 3.3Å; L269-N273 PolarHBondContact O-N 2.68Å; L269-N273 PolarHBondContact O-ND2 2.74Å; H271-N273 VanDerWaalsContact C-N 3.33Å; H271-N273 PolarHBondContact O-N 3.15Å; N273-L275 VanDerWaalsContact C-N 3.27Å; N273-L275 PolarHBondContact O-N 2.88Å; N273-R276 WeakPolarHBondContact O-CB 3.45Å; N273-R276 PolarHBondContact O-N 3.24Å; N273-R276 VanDerWaalsContact O-N 3.09Å; N273-T277 PolarHBondContact O-N 2.87Å; N273-T277 PolarHBondContact O-OG1 3.3Å
274A83.8Confident71Confident48 Ų4873 Ų7340%0.39739%0.392SS..Hα-helixtrans-61.8-36.4174.900000112.3M1 K270 H271M1-A274 HydrophobicContact CE-CB 4.04Å; K270-A274 WeakPolarHBondContact O-CB 3.37Å; K270-A274 PolarHBondContact O-N 3.18Å; H271-A274 PolarHBondContact O-N 3.29Å
275L83.3Confident69.5Low1 Ų178.4 Ų78.41%0.00541%0.411CS..Hα-helixtrans-70.4-37.7172.5-63.4170.8000111.3M1 L5 I244 R248 M251 H271 I272 N273 T277 A278 T279M1-L275 HydrophobicContact CE-CD1 4.34Å; M1-L275 HydrophobicContact CE-CD2 3.47Å; M1-L275 VanDerWaalsContact CE-CD2 3.47Å; M1-L275 HydrophobicContact CE-CG 3.56Å; M1-L275 HydrophobicContact CG-CD2 4.43Å; M1-L275 HydrophobicContact SD-CD2 3.97Å; M1-L275 HydrophobicContact SD-CG 4.31Å; L5-L275 HydrophobicContact CD1-CD2 3.57Å; I244-L275 HydrophobicContact CG2-CB 3.94Å; I244-L275 HydrophobicContact CG2-CD2 3.52Å; I244-L275 HydrophobicContact CG2-CG 4.3Å; R248-L275 HydrophobicContact CB-CB 3.92Å; R248-L275 HydrophobicContact CB-CD1 4.11Å; R248-L275 HydrophobicContact CG-CB 4.25Å; M251-L275 HydrophobicContact SD-CD1 3.62Å; H271-L275 WeakPolarHBondContact O-CG 3.39Å; H271-L275 PolarHBondContact O-N 3.03Å; I272-L275 PolarHBondContact O-N 3.22Å; N273-L275 VanDerWaalsContact C-N 3.27Å; N273-L275 PolarHBondContact O-N 2.88Å; L275-T277 PolarHBondContact O-N 2.87Å; L275-A278 PolarHBondContact O-N 3.48Å; L275-A278 VanDerWaalsContact O-N 3.09Å; L275-T279 WeakPolarHBondContact O-CG2 3.26Å; L275-T279 PolarHBondContact O-N 2.98Å; L275-T279 PolarHBondContact O-OG1 3.49Å
276R80Confident67.7Low83 Ų8384 Ų8431%0.31344%0.436SS..Hα-helixtrans-53.5-53.7177-75.8179.3179.6170.8-2.2111.8R248 E252 I272 N273 A278 T279 E280R248-R276 HydrophobicContact CG-CG 4.42Å; E252-R276 IonicContact OE1-CZ 2.74Å; E252-R276 IonicContact OE1-NE 2.68Å; E252-R276 IonicContact OE1-NH2 3.51Å; E252-R276 PolarHBondContact OE1-NH2 3.28Å; I272-R276 WeakPolarHBondContact O-CG 3.42Å; I272-R276 PolarHBondContact O-N 3.23Å; N273-R276 WeakPolarHBondContact O-CB 3.45Å; N273-R276 PolarHBondContact O-N 3.24Å; N273-R276 VanDerWaalsContact O-N 3.09Å; R276-A278 PolarHBondContact O-N 2.72Å; R276-A278 VanDerWaalsContact O-N 3.15Å; R276-T279 PolarHBondContact O-N 3.46Å; R276-T279 PolarHBondContact O-OG1 3.42Å; R276-E280 WeakPolarHBondContact O-CG 3.37Å; R276-E280 PolarHBondContact O-N 3.45Å
277T77.7Confident65.8Low103 Ų10389.8 Ų89.863%0.63245%0.449SS*.Hα-helixtrans-60-29.3179.6-45.80000112.8N273 L275N273-T277 PolarHBondContact O-N 2.87Å; N273-T277 PolarHBondContact O-OG1 3.3Å; L275-T277 PolarHBondContact O-N 2.87Å
278A75.7Confident63.6Low21 Ų2190.4 Ų90.417%0.17445%0.451CS..Hα-helixtrans-83.2-10.7179.700000114.4V2 I244 L275 R276V2-A278 HydrophobicContact CG1-CB 4.35Å; V2-A278 HydrophobicContact CG2-CB 3.86Å; I244-A278 HydrophobicContact CD1-CB 3.94Å; I244-A278 HydrophobicContact CG2-CB 4.12Å; L275-A278 PolarHBondContact O-N 3.48Å; L275-A278 VanDerWaalsContact O-N 3.09Å; R276-A278 PolarHBondContact O-N 2.72Å; R276-A278 VanDerWaalsContact O-N 3.15Å
279T71.7Confident61.6Low8 Ų894.3 Ų94.35%0.04948%0.481CS..Hα-helixtrans-104.8-12.6179.354.40000113.8E241 I244 F245 R248 L275 R276E241-T279 WeakPolarHBondContact O-CG2 3.29Å; I244-T279 HydrophobicContact CB-CG2 3.69Å; I244-T279 HydrophobicContact CG2-CG2 3.39Å; F245-T279 HydrophobicContact CB-CG2 3.86Å; R248-T279 PolarHBondContact NH1-OG1 3.36Å; L275-T279 WeakPolarHBondContact O-CG2 3.26Å; L275-T279 PolarHBondContact O-N 2.98Å; L275-T279 PolarHBondContact O-OG1 3.49Å; R276-T279 PolarHBondContact O-N 3.46Å; R276-T279 PolarHBondContact O-OG1 3.42Å
280E62.8Low59.4Low56 Ų5698.1 Ų98.126%0.26250%0.5SS..SBendtrans-74.9127.6173.9-66.8162.3-167.200107D169 H170 R276 S282D169-E280 HydrophobicContact CB-CB 4.39Å; D169-E280 HydrophobicContact CB-CG 4.1Å; H170-E280 WeakPolarHBondContact CE1-CG 3.32Å; H170-E280 IonicContact CE1-OE1 3.72Å; H170-E280 PolarHBondContact CE1-OE1 3.07Å; H170-E280 VanDerWaalsContact CE1-OE1 3.3Å; H170-E280 IonicContact CE1-OE2 3.48Å; H170-E280 PolarHBondContact CE1-OE2 3.5Å; H170-E280 IonicContact CG-OE1 3.3Å; H170-E280 VanDerWaalsContact ND1-CG 3.3Å; H170-E280 WeakPolarHBondContact ND1-CG 3.45Å; H170-E280 IonicContact ND1-OE1 3.88Å; H170-E280 PolarHBondContact ND1-OE1 3.26Å; H170-E280 IonicContact ND1-OE2 2.74Å; R276-E280 WeakPolarHBondContact O-CG 3.37Å; R276-E280 PolarHBondContact O-N 3.45Å; E280-S282 PolarHBondContact O-N 2.76Å
281K53.2Low56.9Low151 Ų15195.4 Ų95.466%0.65750%0.497SS*.  trans-55.4114.5171.7-82.1-176.7174.9-1800105.3D169 D283D169-K281 PolarHBondContact OD2-N 3.49Å; K281-D283 PolarHBondContact O-N 3.26Å
282S42.3Very low54.4Low65 Ų6598.9 Ų98.946%0.45552%0.518SS..  trans-51.6122.7179.873.10000107.2E280 L284 Q285E280-S282 PolarHBondContact O-N 2.76Å; S282-L284 PolarHBondContact O-N 3.08Å; S282-Q285 PolarHBondContact O-N 2.98Å
283D37.4Very low52.2Low141 Ų141110 Ų11075%0.75456%0.56SS**THydrogen-bonded Turntrans-55.50.4177.6-83.2-39000113.6K281K281-D283 PolarHBondContact O-N 3.26Å
284L38.9Very low50.5Low133 Ų133112.5 Ų112.570%0.69658%0.58SS**THydrogen-bonded Turntrans-82.1-17179.3-69.8159.1000114.5S282S282-L284 PolarHBondContact O-N 3.08Å
285Q34.5Very low48.7Very low172 Ų172122.2 Ų122.280%0.80462%0.624SS**SBendtrans-94.8-7-178.7-77.8-171.9-21.600115.7S282S282-Q285 PolarHBondContact O-N 2.98Å
286Q34.6Very low47Very low158 Ų158128.3 Ų128.374%0.73865%0.654SS**SBendtrans-98.8-14173.4-83.5-176.8-19.100114.5
287K34.4Very low45.3Very low166 Ų166130.6 Ų130.672%0.72267%0.672SS**SBendtrans-91.1-17.5178.4-72.7-176.5177.9176.70114.7C289K287-C289 PolarHBondContact O-N 3.28Å
288H34.6Very low43.5Very low152 Ų152132.2 Ų132.270%0.70468%0.675SS**THydrogen-bonded Turntrans-84.5-3-176.8-108.4-65.4000115.6
289C34.3Very low41.6Very low119 Ų119138.7 Ų138.780%0.80470%0.704SS**THydrogen-bonded Turntrans-101.92.7179-133.80000114.2K287K287-C289 PolarHBondContact O-N 3.28Å
290L34.5Very low39.7Very low155 Ų155146.9 Ų146.981%0.81275%0.745SS**SBendtrans-120.24.9-177.8-74.7169.1000114.6
291T33.1Very low38.1Very low101 Ų101152.9 Ų152.962%0.6278%0.777SS**SBendtrans-120.236.7-178.554.60000113.8
292L32.3Very low37.1Very low161 Ų161153.1 Ų153.184%0.84379%0.786SS**  trans-136.177.4165.9-70.1173.9000110.1
293R34.8Very low36.7Very low241 Ų241159.8 Ų159.891%0.90981%0.811SS**  trans-125.6117.2148.5-80.6-169.6-177.8-164.41106.8
294P46.5Very low36.6Very low127 Ų127161.4 Ų161.483%0.82582%0.816SS**  trans-69.9149.8168.9-3.920.7000109.7
295L46.9Very low36.4Very low252 Ų252164 Ų164100%1.31983%0.827SS**  trans-52.40168.1-76.8154.3000112.4

Retrieved 295 of 295 residues in 412.2 ms (Link to these results)

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