A0A096ND14_PAPAN Loading...

Dead end protein homolog 1

AlphaFold DB (A0A2K5L5U9), UniProt , Accession A0A096ND14, Species PAPAN (Papio anubis, Olive baboon), Gene DND1, Length 353 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
1M42.7Very low44.7Very low201 Ų201114.5 Ų114.599%0.9956%0.557SS**  0-27.40-77.4178.9166.200113.2
2Q38.2Very low45.1Very low134 Ų134113.6 Ų113.663%0.62655%0.551SS**Hα-helixtrans-59.7-48.9179-141.96717.300114.4K4 R5 D6Q2-K4 VanDerWaalsContact C-N 3.26Å; Q2-K4 PolarHBondContact O-N 3.25Å; Q2-K4 VanDerWaalsContact O-N 3.1Å; Q2-R5 PolarHBondContact O-N 2.99Å; Q2-R5 VanDerWaalsContact O-N 3.14Å; Q2-D6 PolarHBondContact O-N 3.28Å
3S50.4Low45.9Very low93 Ų93121 Ų12165%0.6557%0.57SS**Hα-helixtrans-59.1-27.5-177.3159.60000115.4C7S3-C7 WeakPolarHBondContact O-CB 3.25Å; S3-C7 PolarHBondContact O-N 2.98Å; S3-C7 VanDerWaalsContact O-N 3.14Å
4K42Very low46.9Very low159 Ų159116.9 Ų116.969%0.69156%0.556SS**Hα-helixtrans-76.1-42.8178.6-128.3-176.1-177-1740111.3Q2 C7 E8Q2-K4 VanDerWaalsContact C-N 3.26Å; Q2-K4 PolarHBondContact O-N 3.25Å; Q2-K4 VanDerWaalsContact O-N 3.1Å; K4-C7 PolarHBondContact O-N 3.2Å; K4-E8 WeakPolarHBondContact O-CB 3.32Å; K4-E8 VanDerWaalsContact O-CG 3.31Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 3.25Å
5R46.8Very low48.5Very low153 Ų153110 Ų11058%0.57752%0.524SS*.Hα-helixtrans-67-39.2175.3-68.9-174.4-165.71774.7111.4Q2 E8 L9Q2-R5 PolarHBondContact O-N 2.99Å; Q2-R5 VanDerWaalsContact O-N 3.14Å; R5-E8 PolarHBondContact O-N 2.97Å; R5-L9 WeakPolarHBondContact O-CB 3.32Å; R5-L9 WeakPolarHBondContact O-CD1 3.5Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.42Å; R5-L9 PolarHBondContact O-N 3.43Å
6D43.3Very low50.4Low86 Ų86108 Ų10846%0.4652%0.523SS..Hα-helixtrans-67.1-37.8177.3-62.9-28.3000111.8Q2 W10Q2-D6 PolarHBondContact O-N 3.28Å; D6-W10 VanDerWaalsContact O-CB 3.32Å; D6-W10 WeakPolarHBondContact O-CB 3.24Å; D6-W10 PolarHBondContact O-N 3.46Å
7C45.5Very low52.3Low58 Ų58111.1 Ų111.139%0.39254%0.536SS..Hα-helixtrans-63.7-46.8170.2-890000111.9S3 K4 L9 W10 C11S3-C7 WeakPolarHBondContact O-CB 3.25Å; S3-C7 PolarHBondContact O-N 2.98Å; S3-C7 VanDerWaalsContact O-N 3.14Å; K4-C7 PolarHBondContact O-N 3.2Å; C7-L9 PolarHBondContact O-N 3.27Å; C7-W10 PolarHBondContact O-N 3.3Å; C7-C11 PolarHBondContact O-N 3.08Å; C7-C11 PolarHBondContact O-SG 3.33Å
8E43.7Very low54.1Low113 Ų113106.8 Ų106.853%0.52852%0.516SS..Hα-helixtrans-58.9-44.9177.7-76.1164.8179.300111.7K4 R5 W10 C11 E12K4-E8 WeakPolarHBondContact O-CB 3.32Å; K4-E8 VanDerWaalsContact O-CG 3.31Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 3.25Å; R5-E8 PolarHBondContact O-N 2.97Å; E8-W10 PolarHBondContact O-N 3.5Å; E8-C11 WeakPolarHBondContact O-CB 3.45Å; E8-C11 PolarHBondContact O-N 3.07Å; E8-E12 PolarHBondContact O-N 3.48Å
9L46.5Very low55.7Low100 Ų100105.1 Ų105.152%0.52451%0.506SS..Hα-helixtrans-67.7-31.4176.7-72.8161.6000113R5 C7 R13R5-L9 WeakPolarHBondContact O-CB 3.32Å; R5-L9 WeakPolarHBondContact O-CD1 3.5Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.42Å; R5-L9 PolarHBondContact O-N 3.43Å; C7-L9 PolarHBondContact O-N 3.27Å; L9-R13 PolarHBondContact O-N 2.97Å
10W46.8Very low57.2Low138 Ų138102.6 Ų102.652%0.52350%0.504SS..Hα-helixtrans-71.3-37.6174.3-161.781.1000111.8D6 C7 E8 E12 R13 V14 L96D6-W10 VanDerWaalsContact O-CB 3.32Å; D6-W10 WeakPolarHBondContact O-CB 3.24Å; D6-W10 PolarHBondContact O-N 3.46Å; C7-W10 PolarHBondContact O-N 3.3Å; E8-W10 PolarHBondContact O-N 3.5Å; W10-E12 VanDerWaalsContact C-N 3.3Å; W10-E12 PolarHBondContact O-N 3.5Å; W10-R13 PolarHBondContact O-N 2.91Å; W10-V14 HydrophobicContact CD2-CG2 3.91Å; W10-V14 HydrophobicContact CE3-CG2 3.94Å; W10-V14 HydrophobicContact CH2-CG2 4.09Å; W10-V14 HydrophobicContact CZ2-CG2 4.05Å; W10-V14 HydrophobicContact CZ3-CG2 4.03Å; W10-V14 VanDerWaalsContact O-CG2 3.29Å; W10-V14 WeakPolarHBondContact O-CG2 3.22Å; W10-V14 PolarHBondContact O-N 3.46Å; W10-L96 HydrophobicContact CZ3-CD1 4.02Å
11C46.4Very low58.8Low25 Ų2599.5 Ų99.517%0.16950%0.495CS..Hα-helixtrans-56.7-44.2174.3-56.10000112.3C7 E8 R13 V14 S94C7-C11 PolarHBondContact O-N 3.08Å; C7-C11 PolarHBondContact O-SG 3.33Å; E8-C11 WeakPolarHBondContact O-CB 3.45Å; E8-C11 PolarHBondContact O-N 3.07Å; C11-R13 VanDerWaalsContact C-N 3.28Å; C11-R13 PolarHBondContact O-N 2.75Å; C11-V14 PolarHBondContact O-N 3.26Å; C11-S94 WeakPolarHBondContact SG-CA 3.35Å; C11-S94 PolarHBondContact SG-O 3.19Å
12E49.3Very low61Low103 Ų10390.7 Ų90.748%0.48145%0.452SS..Hα-helixtrans-68.7-28.6-176.4-69.3-173.5154.700112.3E8 W10 K19E8-E12 PolarHBondContact O-N 3.48Å; W10-E12 VanDerWaalsContact C-N 3.3Å; W10-E12 PolarHBondContact O-N 3.5Å; E12-K19 IonicContact OE1-NZ 3.1Å; E12-K19 PolarHBondContact OE1-NZ 3.19Å
13R55.8Low63.5Low210 Ų21088.9 Ų88.979%0.79244%0.443SS*.Hα-helixtrans-81.3-29.1178.1-73.7175.462.5-171-0.3114.1L9 W10 C11L9-R13 PolarHBondContact O-N 2.97Å; W10-R13 PolarHBondContact O-N 2.91Å; C11-R13 VanDerWaalsContact C-N 3.28Å; C11-R13 PolarHBondContact O-N 2.75Å
14V59.2Low65.4Low63 Ų6386.5 Ų86.538%0.38243%0.429SS..Hα-helixtrans-79.7-25.8-171.2173.90000112.3W10 C11 L96W10-V14 HydrophobicContact CD2-CG2 3.91Å; W10-V14 HydrophobicContact CE3-CG2 3.94Å; W10-V14 HydrophobicContact CH2-CG2 4.09Å; W10-V14 HydrophobicContact CZ2-CG2 4.05Å; W10-V14 HydrophobicContact CZ3-CG2 4.03Å; W10-V14 VanDerWaalsContact O-CG2 3.29Å; W10-V14 WeakPolarHBondContact O-CG2 3.22Å; W10-V14 PolarHBondContact O-N 3.46Å; C11-V14 PolarHBondContact O-N 3.26Å; V14-L96 HydrophobicContact CG1-CD1 4.16Å; V14-L96 HydrophobicContact CG1-CD2 3.95Å
15N71.3Confident67.9Low14 Ų1480.4 Ų80.48%0.07540%0.402CS..  trans-163.868.7178.9-165.8-0.4000115.3E17 N18 K19 D68N15-E17 PolarHBondContact O-N 3.15Å; N15-N18 VanDerWaalsContact CG-ND2 3.26Å; N15-N18 WeakPolarHBondContact ND2-CB 3.4Å; N15-N18 PolarHBondContact ND2-ND2 3.33Å; N15-N18 WeakPolarHBondContact OD1-CB 3.28Å; N15-N18 PolarHBondContact OD1-N 3.15Å; N15-N18 PolarHBondContact OD1-ND2 3.3Å; N15-K19 WeakPolarHBondContact O-CB 3.24Å; N15-K19 PolarHBondContact O-N 2.98Å; N15-D68 HydrophobicContact CB-CB 4.5Å; N15-D68 WeakPolarHBondContact ND2-CA 3.37Å; N15-D68 WeakPolarHBondContact ND2-CB 3.46Å; N15-D68 PolarHBondContact ND2-O 2.77Å
16P78.4Confident70Confident78 Ų7875.3 Ų75.351%0.50639%0.387SS..Hα-helixtrans-65.9-36.8-178.326-33.5000112.6K19 A20P16-K19 PolarHBondContact O-N 3.43Å; P16-A20 WeakPolarHBondContact O-CB 3.47Å; P16-A20 PolarHBondContact O-N 3Å
17E83.7Confident72.3Confident160 Ų16080.3 Ų80.375%0.74840%0.4SS*.Hα-helixtrans-64.8-51.1-176.6-66.7-179.417700112.4N15 K19 A20 A21N15-E17 PolarHBondContact O-N 3.15Å; E17-K19 VanDerWaalsContact C-N 3.28Å; E17-K19 PolarHBondContact O-N 3.35Å; E17-A20 PolarHBondContact O-N 3.25Å; E17-A21 WeakPolarHBondContact O-CB 3.35Å; E17-A21 PolarHBondContact O-N 3.44Å
18N83.8Confident74.5Confident34 Ų3485.3 Ų85.318%0.18242%0.418CS..Hα-helixtrans-71.1-26-179.9-69.4-76.5000112.3N15 L22 Y70 H72 Q73N15-N18 VanDerWaalsContact CG-ND2 3.26Å; N15-N18 WeakPolarHBondContact ND2-CB 3.4Å; N15-N18 PolarHBondContact ND2-ND2 3.33Å; N15-N18 WeakPolarHBondContact OD1-CB 3.28Å; N15-N18 PolarHBondContact OD1-N 3.15Å; N15-N18 PolarHBondContact OD1-ND2 3.3Å; N18-L22 VanDerWaalsContact O-CB 3.3Å; N18-L22 WeakPolarHBondContact O-CB 3.37Å; N18-L22 PolarHBondContact O-N 3.35Å; N18-Y70 HydrophobicContact CB-CD2 3.83Å; N18-Y70 HydrophobicContact CB-CE2 3.98Å; N18-H72 PolarHBondContact O-CE1 3.1Å; N18-Q73 PolarHBondContact OD1-NE2 2.89Å
19K83.9Confident76.7Confident74 Ų7483 Ų8332%0.32241%0.411SS..Hα-helixtrans-68.3-48.3172.3-175.9-176.3172.9-169.80110.1E12 N15 P16 E17 A21 L22 E23E12-K19 IonicContact OE1-NZ 3.1Å; E12-K19 PolarHBondContact OE1-NZ 3.19Å; N15-K19 WeakPolarHBondContact O-CB 3.24Å; N15-K19 PolarHBondContact O-N 2.98Å; P16-K19 PolarHBondContact O-N 3.43Å; E17-K19 VanDerWaalsContact C-N 3.28Å; E17-K19 PolarHBondContact O-N 3.35Å; K19-A21 VanDerWaalsContact C-N 3.32Å; K19-A21 PolarHBondContact O-N 3.45Å; K19-L22 WeakPolarHBondContact O-CB 3.48Å; K19-L22 PolarHBondContact O-N 3.33Å; K19-E23 VanDerWaalsContact CE-OE1 3.32Å; K19-E23 WeakPolarHBondContact CE-OE1 3.39Å; K19-E23 WeakPolarHBondContact O-CG 3.34Å; K19-E23 PolarHBondContact O-N 3.23Å
20A87.4Confident78.6Confident55 Ų5581.2 Ų81.246%0.45542%0.417SS..Hα-helixtrans-60.6-41.817500000111.7P16 E17 L22 E23 A24P16-A20 WeakPolarHBondContact O-CB 3.47Å; P16-A20 PolarHBondContact O-N 3Å; E17-A20 PolarHBondContact O-N 3.25Å; A20-L22 PolarHBondContact O-N 3.27Å; A20-E23 PolarHBondContact O-N 3.42Å; A20-A24 WeakPolarHBondContact O-CB 3.3Å; A20-A24 PolarHBondContact O-N 3.14Å
21A89.1Confident80.5Confident39 Ų3975.8 Ų75.832%0.32240%0.398SS..Hα-helixtrans-63.1-4017500000112.3E17 K19 W25E17-A21 WeakPolarHBondContact O-CB 3.35Å; E17-A21 PolarHBondContact O-N 3.44Å; K19-A21 VanDerWaalsContact C-N 3.32Å; K19-A21 PolarHBondContact O-N 3.45Å; A21-W25 VanDerWaalsContact O-CB 3.24Å; A21-W25 WeakPolarHBondContact O-CB 3.29Å; A21-W25 PolarHBondContact O-N 3.37Å
22L89.3Confident82.4Confident15 Ų1584.3 Ų84.38%0.07943%0.427CS..Hα-helixtrans-62.4-46.3174178.268.2000111.6N18 K19 A20 W25 V26 L33 R40 Y70 E71 H72N18-L22 VanDerWaalsContact O-CB 3.3Å; N18-L22 WeakPolarHBondContact O-CB 3.37Å; N18-L22 PolarHBondContact O-N 3.35Å; K19-L22 WeakPolarHBondContact O-CB 3.48Å; K19-L22 PolarHBondContact O-N 3.33Å; A20-L22 PolarHBondContact O-N 3.27Å; L22-W25 HydrophobicContact CD1-CE3 4.23Å; L22-W25 PolarHBondContact O-N 2.79Å; L22-V26 HydrophobicContact CD1-CG2 4.49Å; L22-V26 WeakPolarHBondContact O-CB 3.45Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.15Å; L22-L33 HydrophobicContact CD1-CD1 3.98Å; L22-R40 VanDerWaalsContact CD2-NH1 3.3Å; L22-Y70 HydrophobicContact CD2-CG 4.26Å; L22-E71 HydrophobicContact CD1-CB 4.06Å; L22-H72 HydrophobicContact CD1-CB 4.07Å
23E90.4Very high84.4Confident96 Ų9681.3 Ų81.345%0.44941%0.414SS..Hα-helixtrans-64.8-41.3179.4-71.2171.4-17500111.9K19 A20 V26 R27K19-E23 VanDerWaalsContact CE-OE1 3.32Å; K19-E23 WeakPolarHBondContact CE-OE1 3.39Å; K19-E23 WeakPolarHBondContact O-CG 3.34Å; K19-E23 PolarHBondContact O-N 3.23Å; A20-E23 PolarHBondContact O-N 3.42Å; E23-V26 PolarHBondContact O-N 2.67Å; E23-R27 WeakPolarHBondContact O-CB 3.45Å; E23-R27 PolarHBondContact O-N 3.17Å
24A91.4Very high86Confident43 Ų4374.3 Ų74.336%0.35539%0.394SS..Hα-helixtrans-61.7-48.2173.700000111.3A20 V26 R27 E28A20-A24 WeakPolarHBondContact O-CB 3.3Å; A20-A24 PolarHBondContact O-N 3.14Å; A24-V26 VanDerWaalsContact C-N 3.34Å; A24-V26 PolarHBondContact O-N 3.1Å; A24-R27 WeakPolarHBondContact O-CB 3.12Å; A24-R27 PolarHBondContact O-N 3.29Å; A24-R27 VanDerWaalsContact O-N 3.14Å; A24-E28 WeakPolarHBondContact O-CB 3.42Å; A24-E28 PolarHBondContact O-N 2.79Å
25W93.5Very high87.3Confident32 Ų3276.5 Ų76.512%0.12140%0.401CS..Hα-helixtrans-60.6-41.1177.7178.378.6000112.4A21 L22 R27 E28 T29 I31 E71 H72 I75 P76A21-W25 VanDerWaalsContact O-CB 3.24Å; A21-W25 WeakPolarHBondContact O-CB 3.29Å; A21-W25 PolarHBondContact O-N 3.37Å; L22-W25 HydrophobicContact CD1-CE3 4.23Å; L22-W25 PolarHBondContact O-N 2.79Å; W25-R27 VanDerWaalsContact C-N 3.35Å; W25-E28 PolarHBondContact O-N 2.78Å; W25-T29 HydrophobicContact CD2-CG2 4.36Å; W25-T29 HydrophobicContact CG-CG2 4.33Å; W25-T29 HydrophobicContact CZ2-CG2 4.46Å; W25-T29 WeakPolarHBondContact O-CB 3.29Å; W25-T29 WeakPolarHBondContact O-CG2 3.49Å; W25-T29 PolarHBondContact O-N 3.42Å; W25-T29 PolarHBondContact O-OG1 2.84Å; W25-I31 HydrophobicContact CH2-CB 4.32Å; W25-I31 HydrophobicContact CH2-CD1 3.39Å; W25-I31 HydrophobicContact CH2-CG1 4.43Å; W25-I31 HydrophobicContact CH2-CG2 4.12Å; W25-I31 HydrophobicContact CZ2-CD1 3.47Å; W25-I31 VanDerWaalsContact CZ2-CD1 3.47Å; W25-I31 HydrophobicContact CZ3-CB 4.36Å; W25-I31 HydrophobicContact CZ3-CD1 4.22Å; W25-I31 HydrophobicContact CZ3-CG2 4.14Å; W25-E71 HydrophobicContact CZ3-CB 4.45Å; W25-H72 HydrophobicContact CB-CB 3.66Å; W25-H72 HydrophobicContact CD2-CB 3.74Å; W25-H72 HydrophobicContact CE3-CB 3.99Å; W25-H72 HydrophobicContact CG-CB 3.6Å; W25-I75 HydrophobicContact CH2-CB 4.03Å; W25-I75 HydrophobicContact CH2-CD1 3.83Å; W25-I75 HydrophobicContact CH2-CG1 4.49Å; W25-I75 HydrophobicContact CH2-CG2 4.07Å; W25-I75 HydrophobicContact CZ2-CB 4.22Å; W25-I75 HydrophobicContact CZ2-CG2 4.14Å; W25-I75 HydrophobicContact CZ3-CD1 4.4Å; W25-P76 HydrophobicContact CZ2-CG 4.18Å
26V90.9Very high87.8Confident45 Ų4579 Ų7927%0.27342%0.416SS..Hα-helixtrans-61.8-42.9174.6162.60000111.3L22 E23 A24 G30 I31 L33L22-V26 HydrophobicContact CD1-CG2 4.49Å; L22-V26 WeakPolarHBondContact O-CB 3.45Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.15Å; E23-V26 PolarHBondContact O-N 2.67Å; A24-V26 VanDerWaalsContact C-N 3.34Å; A24-V26 PolarHBondContact O-N 3.1Å; V26-G30 WeakPolarHBondContact O-CA 3.31Å; V26-G30 PolarHBondContact O-N 2.81Å; V26-I31 WeakPolarHBondContact CG1-O 3.4Å; V26-I31 PolarHBondContact O-N 2.85Å; V26-L33 HydrophobicContact CG2-CD1 3.79Å; V26-L33 HydrophobicContact CG2-CG 4.19Å
27R92.3Very high88Confident191 Ų19180.4 Ų80.472%0.72142%0.419SS*.Hα-helixtrans-65.9-43.3178.8-167.5-173.8-54.8122.95111.9E23 A24 W25E23-R27 WeakPolarHBondContact O-CB 3.45Å; E23-R27 PolarHBondContact O-N 3.17Å; A24-R27 WeakPolarHBondContact O-CB 3.12Å; A24-R27 PolarHBondContact O-N 3.29Å; A24-R27 VanDerWaalsContact O-N 3.14Å; W25-R27 VanDerWaalsContact C-N 3.35Å
28E92.4Very high88.1Confident164 Ų16473.3 Ų73.377%0.76639%0.389SS*.Hα-helixtrans-69.4-47.1-179-177.7-179.1-17200112.1A24 W25 G30A24-E28 WeakPolarHBondContact O-CB 3.42Å; A24-E28 PolarHBondContact O-N 2.79Å; W25-E28 PolarHBondContact O-N 2.78Å; E28-G30 VanDerWaalsContact C-N 3.34Å
29T88.1Confident88.3Confident63 Ų6374 Ų7439%0.38739%0.391SS..Hα-helixtrans-82.9-12.6-176.360.40000113.6W25 I31W25-T29 HydrophobicContact CD2-CG2 4.36Å; W25-T29 HydrophobicContact CG-CG2 4.33Å; W25-T29 HydrophobicContact CZ2-CG2 4.46Å; W25-T29 WeakPolarHBondContact O-CB 3.29Å; W25-T29 WeakPolarHBondContact O-CG2 3.49Å; W25-T29 PolarHBondContact O-N 3.42Å; W25-T29 PolarHBondContact O-OG1 2.84Å; T29-I31 HydrophobicContact CG2-CD1 4.35Å; T29-I31 PolarHBondContact O-N 3.2Å; T29-I31 WeakPolarHBondContact OG1-CB 3.25Å; T29-I31 WeakPolarHBondContact OG1-CD1 3.24Å; T29-I31 WeakPolarHBondContact OG1-CG1 3.33Å; T29-I31 PolarHBondContact OG1-N 2.97Å
30G86.3Confident88.7Confident64 Ų6472.1 Ų72.166%0.6638%0.382SS*.  trans63.415.1-172.300000113.5V26 E28 R32V26-G30 WeakPolarHBondContact O-CA 3.31Å; V26-G30 PolarHBondContact O-N 2.81Å; E28-G30 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.44Å
31I86.8Confident89Confident23 Ų2370.8 Ų70.812%0.11837%0.366CS..  trans-71.8126.5-176.3-75.2172.9000110.4W25 V26 T29 L33 Y42W25-I31 HydrophobicContact CH2-CB 4.32Å; W25-I31 HydrophobicContact CH2-CD1 3.39Å; W25-I31 HydrophobicContact CH2-CG1 4.43Å; W25-I31 HydrophobicContact CH2-CG2 4.12Å; W25-I31 HydrophobicContact CZ2-CD1 3.47Å; W25-I31 VanDerWaalsContact CZ2-CD1 3.47Å; W25-I31 HydrophobicContact CZ3-CB 4.36Å; W25-I31 HydrophobicContact CZ3-CD1 4.22Å; W25-I31 HydrophobicContact CZ3-CG2 4.14Å; V26-I31 WeakPolarHBondContact CG1-O 3.4Å; V26-I31 PolarHBondContact O-N 2.85Å; T29-I31 HydrophobicContact CG2-CD1 4.35Å; T29-I31 PolarHBondContact O-N 3.2Å; T29-I31 WeakPolarHBondContact OG1-CB 3.25Å; T29-I31 WeakPolarHBondContact OG1-CD1 3.24Å; T29-I31 WeakPolarHBondContact OG1-CG1 3.33Å; T29-I31 PolarHBondContact OG1-N 2.97Å; I31-L33 HydrophobicContact CG2-CD2 3.98Å; I31-L33 HydrophobicContact CG2-CG 4.35Å; I31-Y42 HydrophobicContact CB-CE2 4.47Å; I31-Y42 HydrophobicContact CD1-CE2 3.9Å; I31-Y42 HydrophobicContact CG1-CE2 4Å; I31-Y42 HydrophobicContact CG2-CD2 3.36Å; I31-Y42 HydrophobicContact CG2-CE2 3.65Å
32R87.4Confident89.1Confident205 Ų20569.9 Ų69.977%0.77435%0.354SS*.  trans-86.6115174-168.7177.9179.4-156.51.4111.3G30 V34G30-R32 PolarHBondContact O-N 3.44Å; R32-V34 HydrophobicContact CG-CG2 4.33Å
33L90.2Very high89Confident39 Ų3970.5 Ų70.520%0.20436%0.364CS..EExtended strand (participates in β ladder)trans-97.7131.2169.8-60-179.5000110.4L22 V26 I31 R40 K41 E71 I75L22-L33 HydrophobicContact CD1-CD1 3.98Å; V26-L33 HydrophobicContact CG2-CD1 3.79Å; V26-L33 HydrophobicContact CG2-CG 4.19Å; I31-L33 HydrophobicContact CG2-CD2 3.98Å; I31-L33 HydrophobicContact CG2-CG 4.35Å; L33-R40 HydrophobicContact CB-CG 4.13Å; L33-K41 WeakPolarHBondContact CA-O 3.45Å; L33-E71 HydrophobicContact CD1-CB 4.3Å; L33-E71 HydrophobicContact CD1-CG 4.43Å; L33-I75 HydrophobicContact CD2-CD1 4.43Å
34V89.3Confident88.2Confident63 Ų6367.5 Ų67.538%0.38236%0.359SS..EExtended strand (participates in β ladder)trans-117.8124.5178.8-172.50000109.7R32 V36 K41R32-V34 HydrophobicContact CG-CG2 4.33Å; V34-V36 HydrophobicContact CG1-CG2 3.72Å; V34-K41 PolarHBondContact N-O 3.17Å; V34-K41 WeakPolarHBondContact O-CB 3.44Å; V34-K41 PolarHBondContact O-N 2.81Å
35Q86.8Confident87.8Confident110 Ų11069 Ų6951%0.51437%0.365SS..EExtended strand (participates in β ladder)trans-96.2117.7175.8-170.7162.8-40.900110.8Q39Q35-Q39 CarbonylContact C-O 3.58Å; Q35-Q39 VanDerWaalsContact CA-O 3.28Å; Q35-Q39 WeakPolarHBondContact CA-O 3.4Å
36V83.4Confident87.3Confident65 Ų6568 Ų6839%0.39436%0.362SS..EExtended strand (participates in β ladder)trans-136125.7-179.9-172.10000109.4V34 G38 Q39V34-V36 HydrophobicContact CG1-CG2 3.72Å; V36-G38 VanDerWaalsContact C-N 3.3Å; V36-G38 PolarHBondContact O-N 3.39Å; V36-Q39 PolarHBondContact N-O 3.2Å; V36-Q39 PolarHBondContact O-N 3.02Å
37N81.5Confident86.7Confident108 Ų10871.1 Ų71.158%0.57838%0.384SS*.THydrogen-bonded Turntrans51.442.4175.5-60.4-32.2000114.2Q39N37-Q39 VanDerWaalsContact C-N 3.29Å; N37-Q39 PolarHBondContact O-N 2.83Å
38G85Confident86Confident11 Ų1165.3 Ų65.311%0.11338%0.384CS..THydrogen-bonded Turntrans7220-178.600000114.3V36 M91V36-G38 VanDerWaalsContact C-N 3.3Å; V36-G38 PolarHBondContact O-N 3.39Å; G38-M91 PolarHBondContact O-N 2.78Å
39Q89.9Confident85.6Confident50 Ų5059.9 Ų59.923%0.23436%0.356CS..EExtended strand (participates in β ladder)trans-120.7127.9170.7-44.5-169.310.800108.7Q35 V36 N37 K41 L89 M90Q35-Q39 CarbonylContact C-O 3.58Å; Q35-Q39 VanDerWaalsContact CA-O 3.28Å; Q35-Q39 WeakPolarHBondContact CA-O 3.4Å; V36-Q39 PolarHBondContact N-O 3.2Å; V36-Q39 PolarHBondContact O-N 3.02Å; N37-Q39 VanDerWaalsContact C-N 3.29Å; N37-Q39 PolarHBondContact O-N 2.83Å; Q39-K41 HydrophobicContact CB-CG 4.31Å; Q39-L89 CarbonylContact C-O 3.47Å; Q39-L89 WeakPolarHBondContact CA-O 3.31Å; Q39-M90 HydrophobicContact CB-SD 4.21Å; Q39-M90 HydrophobicContact CG-CE 3.71Å; Q39-M90 HydrophobicContact CG-SD 3.56Å; Q39-M90 VanDerWaalsContact CG-SD 3.56Å
40R92.3Very high85.2Confident34 Ų3463.4 Ų63.413%0.12838%0.378CS..EExtended strand (participates in β ladder)trans-97.8125.4169.7-166.9179.3-44.6144.9-8.5108.8L22 L33 E71 R88 L89 M91L22-R40 VanDerWaalsContact CD2-NH1 3.3Å; L33-R40 HydrophobicContact CB-CG 4.13Å; R40-E71 VanDerWaalsContact CB-OE1 3.27Å; R40-E71 WeakPolarHBondContact CB-OE1 3.41Å; R40-E71 WeakPolarHBondContact CD-OE1 3.28Å; R40-E71 WeakPolarHBondContact CG-OE1 3.48Å; R40-E71 IonicContact NE-OE1 2.7Å; R40-E71 IonicContact NH1-OE1 2.67Å; R40-E71 IonicContact NH1-OE2 3.52Å; R40-E71 PolarHBondContact NH1-OE2 3.49Å; R40-R88 WeakPolarHBondContact O-CA 3.42Å; R40-L89 PolarHBondContact N-O 3.41Å; R40-L89 PolarHBondContact O-N 3.27Å; R40-M91 HydrophobicContact CB-CG 3.89Å; R40-M91 HydrophobicContact CB-SD 4.49Å
41K91.9Very high84.8Confident27 Ų2763.1 Ų63.112%0.11738%0.375CS..EExtended strand (participates in β ladder)trans-120.6134.3-163.9-57.6-174.870.6-160.10111.2L33 V34 Q39 E86 F87 R88L33-K41 WeakPolarHBondContact CA-O 3.45Å; V34-K41 PolarHBondContact N-O 3.17Å; V34-K41 WeakPolarHBondContact O-CB 3.44Å; V34-K41 PolarHBondContact O-N 2.81Å; Q39-K41 HydrophobicContact CB-CG 4.31Å; K41-E86 WeakPolarHBondContact CE-OE1 3.34Å; K41-E86 IonicContact NZ-OE1 3.02Å; K41-E86 PolarHBondContact NZ-OE1 3.44Å; K41-F87 CarbonylContact C-O 3.58Å; K41-F87 WeakPolarHBondContact CA-O 3.5Å; K41-R88 HydrophobicContact CG-CG 4.26Å
42Y91.3Very high84.6Confident20 Ų2066.6 Ų66.68%0.07840%0.401CS..EExtended strand (participates in β ladder)trans-108.1135.6163.9163.2-104.1000109.7I31 I75 Q79 L84 E86 F87I31-Y42 HydrophobicContact CB-CE2 4.47Å; I31-Y42 HydrophobicContact CD1-CE2 3.9Å; I31-Y42 HydrophobicContact CG1-CE2 4Å; I31-Y42 HydrophobicContact CG2-CD2 3.36Å; I31-Y42 HydrophobicContact CG2-CE2 3.65Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CD1-CG2 4.34Å; Y42-I75 HydrophobicContact CD2-CD1 4.16Å; Y42-I75 HydrophobicContact CE1-CG2 4.25Å; Y42-I75 HydrophobicContact CG-CD1 3.56Å; Y42-Q79 PolarHBondContact OH-NE2 3.22Å; Y42-L84 HydrophobicContact CE1-CB 4.31Å; Y42-E86 CarbonylContact O-C 3.49Å; Y42-E86 WeakPolarHBondContact O-CA 3.47Å; Y42-F87 HydrophobicContact CD1-CB 4.03Å; Y42-F87 PolarHBondContact N-O 3.2Å; Y42-F87 PolarHBondContact O-N 3.08Å
43G87.8Confident84.4Confident27 Ų2760.8 Ų60.828%0.27839%0.389SS..EExtended strand (participates in β ladder)trans71-146.6175.600000114.4P45G43-P45 CarbonylContact C-O 3.56Å
44G74.1Confident84.3Confident33 Ų3359.2 Ų59.234%0.3438%0.382SS..SBendtrans76.250.4-173.300000115.4Y85G44-Y85 PolarHBondContact N-O 3.03Å
45P82.2Confident84Confident76 Ų7659 Ų5949%0.49438%0.382SS..SBendcis-93.3162.35.835.8-35.8000113.6G43 W49 Y85G43-P45 CarbonylContact C-O 3.56Å; P45-W49 HydrophobicContact CB-CB 3.77Å; P45-W49 HydrophobicContact CB-CG 3.91Å; P45-Y85 HydrophobicContact CB-CE2 3.77Å
46P83.3Confident83.7Confident9 Ų956.1 Ų56.16%0.05838%0.376CS..PPolyproline II helixtrans-71.7158.2175.631.9-33.4000111.1G48 W49 Y85P46-G48 PolarHBondContact O-N 2.9Å; P46-W49 HydrophobicContact CG-CB 4.03Å; P46-W49 HydrophobicContact CG-CD2 4.3Å; P46-W49 HydrophobicContact CG-CE3 3.74Å; P46-W49 HydrophobicContact CG-CG 4.45Å; P46-W49 VanDerWaalsContact O-CB 3.25Å; P46-W49 WeakPolarHBondContact O-CB 3.3Å; P46-W49 PolarHBondContact O-N 3.41Å; P46-W49 VanDerWaalsContact O-N 3.1Å; P46-Y85 WeakPolarHBondContact CD-O 3.33Å
47P78.7Confident83.8Confident111 Ų11154 Ų5472%0.72137%0.368SS*.THydrogen-bonded Turntrans-52.1134.9175.9-25.634.5000111.9W49P47-W49 VanDerWaalsContact C-N 3.3Å; P47-W49 PolarHBondContact O-N 3.17Å
48G78.2Confident84.3Confident70 Ų7048.9 Ų48.972%0.72234%0.341SS*.THydrogen-bonded Turntrans71.517.3-178.700000115.1P46 V50P46-G48 PolarHBondContact O-N 2.9Å; G48-V50 PolarHBondContact O-N 3.49Å
49W82.2Confident84.6Confident49 Ų4948.8 Ų48.819%0.18634%0.338CS..  trans-74.3124.9171.5-172.4-90.9000111.5P45 P46 P47 G51 R83 Y85P45-W49 HydrophobicContact CB-CB 3.77Å; P45-W49 HydrophobicContact CB-CG 3.91Å; P46-W49 HydrophobicContact CG-CB 4.03Å; P46-W49 HydrophobicContact CG-CD2 4.3Å; P46-W49 HydrophobicContact CG-CE3 3.74Å; P46-W49 HydrophobicContact CG-CG 4.45Å; P46-W49 VanDerWaalsContact O-CB 3.25Å; P46-W49 WeakPolarHBondContact O-CB 3.3Å; P46-W49 PolarHBondContact O-N 3.41Å; P46-W49 VanDerWaalsContact O-N 3.1Å; P47-W49 VanDerWaalsContact C-N 3.3Å; P47-W49 PolarHBondContact O-N 3.17Å; W49-G51 PolarHBondContact NE1-O 2.97Å; W49-R83 HydrophobicContact CZ3-CG 4.23Å; W49-Y85 AromaticContact CD2-CD2 3.96Å; W49-Y85 HydrophobicContact CD2-CD2 3.96Å; W49-Y85 HydrophobicContact CD2-CE2 4.26Å; W49-Y85 AromaticContact CE2-CD2 3.74Å; W49-Y85 AromaticContact CE2-CE2 3.92Å; W49-Y85 HydrophobicContact CE3-CD2 4.28Å; W49-Y85 HydrophobicContact CG-CE2 4.4Å; W49-Y85 HydrophobicContact CH2-CD2 4.26Å; W49-Y85 AromaticContact CZ2-CD2 3.92Å; W49-Y85 HydrophobicContact CZ2-CD2 3.92Å; W49-Y85 HydrophobicContact CZ2-CE2 4.39Å; W49-Y85 HydrophobicContact CZ3-CD2 4.42Å; W49-Y85 AromaticContact NE1-CE2 3.81Å
50V79.9Confident84.8Confident138 Ų13846.4 Ų46.484%0.83633%0.326SS*.  trans-119.7122.9173.8-176.90000107.6G48G48-V50 PolarHBondContact O-N 3.49Å
51G79.2Confident84.9Confident58 Ų5847.1 Ų47.160%0.59833%0.331SS*.SBendtrans123.2177.6178.200000114.4W49W49-G51 PolarHBondContact NE1-O 2.97Å
52S82.3Confident85.1Confident96 Ų9645.9 Ų45.967%0.67133%0.325SS*.PPolyproline II helixtrans-68.7158.2-177.957.70000112.7
53P83.6Confident85.2Confident82 Ų8245 Ų4553%0.53232%0.322SS..PPolyproline II helixtrans-56150.3170.7-24.734.3000112.4
54P86.9Confident85.3Confident6 Ų649.7 Ų49.74%0.03933%0.331CS..PPolyproline II helixtrans-61.2147.2179.9-24.332.8000112.8Y85 R104 Y105P54-Y85 VanDerWaalsContact CG-CB 3.5Å; P54-Y85 HydrophobicContact CG-CD1 3.88Å; P54-Y85 HydrophobicContact CG-CD2 3.65Å; P54-Y85 HydrophobicContact CG-CE2 4.32Å; P54-Y85 HydrophobicContact CG-CG 3.38Å; P54-R104 HydrophobicContact CG-CG 4.47Å; P54-R104 PolarHBondContact O-NH2 2.94Å; P54-Y105 WeakPolarHBondContact CB-O 3.48Å; P54-Y105 WeakPolarHBondContact CG-O 3.25Å
55P83.4Confident86.1Confident60 Ų6048.5 Ų48.539%0.3932%0.317SS..PPolyproline II helixtrans-64.3161.5-18027.3-34.4000112.3S58 R108P55-S58 VanDerWaalsContact O-CB 3.31Å; P55-S58 WeakPolarHBondContact O-CB 3.35Å; P55-S58 PolarHBondContact O-N 2.88Å; P55-S58 PolarHBondContact O-OG 2.8Å; P55-R108 HydrophobicContact CG-CG 4.4Å
56A81.5Confident86.3Confident48 Ų4845.9 Ų45.940%0.39730%0.3SS..THydrogen-bonded Turntrans-55.8145.817500000112S58 R108A56-S58 VanDerWaalsContact C-N 3.29Å; A56-R108 WeakPolarHBondContact O-CD 3.34Å; A56-R108 PolarHBondContact O-NH1 2.91Å
57G85Confident86.4Confident22 Ų2250.9 Ų50.923%0.22732%0.323CS..THydrogen-bonded Turntrans76.112.9-174.800000114.9E59 E136G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E136 PolarHBondContact N-OE1 3.24Å; G57-E136 PolarHBondContact N-OE2 2.64Å
58S91.1Very high86.5Confident0 Ų047.5 Ų47.50%030%0.299CS..  trans-90.78.3170.1-47.40000112.5P55 A56 R104 Y105 S107 R108P55-S58 VanDerWaalsContact O-CB 3.31Å; P55-S58 WeakPolarHBondContact O-CB 3.35Å; P55-S58 PolarHBondContact O-N 2.88Å; P55-S58 PolarHBondContact O-OG 2.8Å; A56-S58 VanDerWaalsContact C-N 3.29Å; S58-R104 WeakPolarHBondContact O-CA 3.19Å; S58-Y105 WeakPolarHBondContact CB-O 3.38Å; S58-Y105 PolarHBondContact O-N 3.21Å; S58-S107 VanDerWaalsContact OG-C 3.32Å; S58-R108 PolarHBondContact OG-N 3.36Å
59E92.4Very high86.9Confident9 Ų944.2 Ų44.24%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-107.1138.6179-169.6-178.881.700112G57 R88 Y102 A103 R104 S134G57-E59 VanDerWaalsContact C-N 3.3Å; E59-R88 VanDerWaalsContact CD-NH2 3.31Å; E59-R88 IonicContact OE1-NH2 2.82Å; E59-R88 PolarHBondContact OE1-NH2 2.67Å; E59-R88 IonicContact OE2-CZ 3.42Å; E59-R88 IonicContact OE2-NE 3.44Å; E59-R88 IonicContact OE2-NH2 3.15Å; E59-R88 PolarHBondContact OE2-NH2 3.48Å; E59-Y102 HydrophobicContact CG-CD1 4.43Å; E59-A103 CarbonylContact C-O 3.6Å; E59-A103 WeakPolarHBondContact CA-O 3.5Å; E59-R104 HydrophobicContact CB-CB 4.36Å; E59-R104 HydrophobicContact CB-CG 4.34Å; E59-R104 HydrophobicContact CG-CB 4.34Å; E59-S134 VanDerWaalsContact O-CB 3.25Å; E59-S134 WeakPolarHBondContact O-CB 3.4Å; E59-S134 PolarHBondContact O-N 3.09Å; E59-S134 VanDerWaalsContact O-N 3.14Å; E59-S134 WeakPolarHBondContact OE1-CB 3.28Å; E59-S134 PolarHBondContact OE1-OG 3.12Å
60V94.6Very high87.4Confident0 Ų042.5 Ų42.50%026%0.258CS..EExtended strand (participates in β ladder)trans-112.8144172.4-57.30000110.8I62 F78 Y102 A103 Y105 A111 A114 I115 V131 C132V60-I62 HydrophobicContact CG2-CG1 4.3Å; V60-F78 HydrophobicContact CG2-CE1 4.14Å; V60-Y102 WeakPolarHBondContact O-CA 3.36Å; V60-A103 HydrophobicContact CG2-CB 3.83Å; V60-A103 WeakPolarHBondContact CG2-O 3.36Å; V60-A103 PolarHBondContact N-O 2.88Å; V60-A103 PolarHBondContact O-N 3.27Å; V60-A103 VanDerWaalsContact O-N 3.07Å; V60-Y105 HydrophobicContact CG2-CE2 4.07Å; V60-A111 HydrophobicContact CG1-CB 3.78Å; V60-A111 WeakPolarHBondContact CG1-O 3.45Å; V60-A114 HydrophobicContact CG1-CB 4.41Å; V60-I115 HydrophobicContact CG1-CD1 4.05Å; V60-I115 HydrophobicContact CG1-CG1 3.79Å; V60-V131 HydrophobicContact CB-CG1 4.09Å; V60-V131 HydrophobicContact CG2-CG1 4.13Å; V60-C132 CarbonylContact C-O 3.5Å; V60-C132 WeakPolarHBondContact CA-O 3.38Å
61F94.3Very high88Confident49 Ų4935.9 Ų35.922%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-88.5137.1167.1171.1-92.9000109.2F100 Y102 L130 V131 C132F61-F100 HydrophobicContact CD2-CD2 4.44Å; F61-F100 HydrophobicContact CE2-CB 3.7Å; F61-F100 AromaticContact CE2-CD2 3.67Å; F61-F100 HydrophobicContact CE2-CD2 3.67Å; F61-F100 AromaticContact CE2-CG 3.95Å; F61-F100 HydrophobicContact CE2-CG 3.95Å; F61-F100 HydrophobicContact CZ-CB 3.77Å; F61-F100 HydrophobicContact CZ-CG 4.35Å; F61-Y102 HydrophobicContact CB-CD1 4.47Å; F61-Y102 HydrophobicContact CB-CE1 4.27Å; F61-Y102 HydrophobicContact CD2-CD1 4.4Å; F61-Y102 AromaticContact CD2-CE1 3.71Å; F61-Y102 HydrophobicContact CD2-CE1 3.71Å; F61-Y102 AromaticContact CD2-CZ 3.82Å; F61-Y102 HydrophobicContact CG-CE1 4.49Å; F61-L130 HydrophobicContact CE1-CD2 4.23Å; F61-V131 WeakPolarHBondContact O-CA 3.39Å; F61-C132 PolarHBondContact N-O 2.81Å; F61-C132 PolarHBondContact O-N 3.13Å
62I95.9Very high88.7Confident0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans-122111.8179.8-50.2162.5000106.8V60 L65 F78 F87 F100 A101 A103 L130V60-I62 HydrophobicContact CG2-CG1 4.3Å; I62-L65 HydrophobicContact CB-CD1 4.49Å; I62-L65 HydrophobicContact CG2-CD1 4.01Å; I62-L65 HydrophobicContact CG2-CD2 3.95Å; I62-L65 HydrophobicContact CG2-CG 4.01Å; I62-F78 HydrophobicContact CB-CZ 4.31Å; I62-F78 HydrophobicContact CD1-CD1 3.93Å; I62-F78 HydrophobicContact CD1-CD2 4.35Å; I62-F78 HydrophobicContact CD1-CE1 3.34Å; I62-F78 HydrophobicContact CD1-CE2 3.79Å; I62-F78 HydrophobicContact CD1-CG 4.43Å; I62-F78 HydrophobicContact CD1-CZ 3.27Å; I62-F78 HydrophobicContact CG1-CE1 3.6Å; I62-F78 HydrophobicContact CG1-CE2 4.39Å; I62-F78 HydrophobicContact CG1-CZ 3.48Å; I62-F78 VanDerWaalsContact CG1-CZ 3.48Å; I62-F78 HydrophobicContact CG2-CE2 4.35Å; I62-F78 HydrophobicContact CG2-CZ 3.85Å; I62-F87 HydrophobicContact CD1-CE2 3.64Å; I62-F87 HydrophobicContact CD1-CZ 4.16Å; I62-F100 CarbonylContact O-C 3.6Å; I62-F100 WeakPolarHBondContact O-CA 3.37Å; I62-F100 WeakPolarHBondContact O-CB 3.47Å; I62-A101 HydrophobicContact CB-CB 4.24Å; I62-A101 HydrophobicContact CD1-CB 4.14Å; I62-A101 PolarHBondContact N-O 3.44Å; I62-A101 PolarHBondContact O-N 3.32Å; I62-A103 HydrophobicContact CD1-CB 3.86Å; I62-L130 CarbonylContact C-O 3.58Å; I62-L130 VanDerWaalsContact CA-O 3.3Å; I62-L130 WeakPolarHBondContact CA-O 3.34Å
63G93.1Very high89.1Confident2 Ų233 Ų332%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-120.8-179.617900000112.4L65 L130G63-L65 PolarHBondContact O-N 3.14Å; G63-L130 PolarHBondContact N-O 2.96Å; G63-L130 PolarHBondContact O-N 3.23Å
64R89.8Confident89.6Confident125 Ų12529.1 Ų29.147%0.47215%0.153SC..SBendtrans54.733.9-171.7-56.7-171.1-63.5-168.3-6111.8G99 N120 P128 L129 L130R64-G99 PolarHBondContact N-O 2.94Å; R64-N120 PolarHBondContact NH2-OD1 2.86Å; R64-P128 VanDerWaalsContact CZ-O 3.31Å; R64-P128 PolarHBondContact NE-O 3.38Å; R64-P128 PolarHBondContact NH2-O 3.13Å; R64-L129 PolarHBondContact NH2-O 2.97Å; R64-L129 VanDerWaalsContact NH2-O 3.08Å; R64-L130 HydrophobicContact CB-CB 4.44Å; R64-L130 HydrophobicContact CG-CB 4.05Å
65L90.2Very high90Very high9 Ų928.8 Ų28.85%0.04715%0.151CC..  trans-76.2131.5172.6-70171.1000108.8I62 G63 L74 L89 G99 A101 L123 L129I62-L65 HydrophobicContact CB-CD1 4.49Å; I62-L65 HydrophobicContact CG2-CD1 4.01Å; I62-L65 HydrophobicContact CG2-CD2 3.95Å; I62-L65 HydrophobicContact CG2-CG 4.01Å; G63-L65 PolarHBondContact O-N 3.14Å; L65-L74 HydrophobicContact CD1-CD1 4Å; L65-L74 HydrophobicContact CD2-CD1 3.97Å; L65-L74 HydrophobicContact CD2-CD2 3.65Å; L65-L74 HydrophobicContact CD2-CG 4.48Å; L65-L89 HydrophobicContact CD1-CD1 4.19Å; L65-G99 PolarHBondContact N-O 3.24Å; L65-G99 VanDerWaalsContact O-CA 3.27Å; L65-G99 WeakPolarHBondContact O-CA 3.49Å; L65-A101 HydrophobicContact CD1-CB 3.64Å; L65-L123 HydrophobicContact CD2-CD2 4.37Å; L65-L129 HydrophobicContact CD2-CD2 3.47Å; L65-L129 VanDerWaalsContact CD2-CD2 3.47Å; L65-L129 HydrophobicContact CG-CD2 4.46Å
66P86.6Confident90.6Very high20 Ų2027.7 Ų27.713%0.1314%0.144CC..  trans-61.4141.9165.3-22.834.8000111.1D68 V69 N97 C127P66-D68 WeakPolarHBondContact CB-OD1 3.41Å; P66-D68 PolarHBondContact O-N 3.27Å; P66-D68 VanDerWaalsContact O-N 3.17Å; P66-V69 HydrophobicContact CB-CG2 3.96Å; P66-V69 HydrophobicContact CG-CG2 4.13Å; P66-V69 PolarHBondContact O-N 2.97Å; P66-N97 PolarHBondContact O-ND2 2.93Å; P66-C127 HydrophobicContact CG-CB 4.29Å
67Q85.8Confident91.2Very high114 Ų11426.2 Ų26.253%0.53313%0.129SC..THydrogen-bonded Turntrans-67.4-17.2-170.4-69-175-22.200115.2N97Q67-N97 WeakPolarHBondContact CA-ND2 3.28Å; Q67-N97 PolarHBondContact O-N 2.79Å; Q67-N97 PolarHBondContact O-ND2 3.43Å
68D81.2Confident91.8Very high40 Ų4025.1 Ų25.121%0.21412%0.118CC..THydrogen-bonded Turntrans-99.1-1.9-174.665.5-42.7000112N15 P66 R124N15-D68 HydrophobicContact CB-CB 4.5Å; N15-D68 WeakPolarHBondContact ND2-CA 3.37Å; N15-D68 WeakPolarHBondContact ND2-CB 3.46Å; N15-D68 PolarHBondContact ND2-O 2.77Å; P66-D68 WeakPolarHBondContact CB-OD1 3.41Å; P66-D68 PolarHBondContact O-N 3.27Å; P66-D68 VanDerWaalsContact O-N 3.17Å; D68-R124 IonicContact OD1-CZ 2.64Å; D68-R124 IonicContact OD1-NH1 3.52Å; D68-R124 IonicContact OD1-NH2 2.68Å; D68-R124 PolarHBondContact OD1-NH2 3.42Å; D68-R124 IonicContact OD2-CZ 2.77Å; D68-R124 VanDerWaalsContact OD2-CZ 3.29Å; D68-R124 IonicContact OD2-NH1 2.8Å; D68-R124 PolarHBondContact OD2-NH1 2.64Å; D68-R124 IonicContact OD2-NH2 2.67Å; D68-R124 PolarHBondContact OD2-NH2 3.47Å
69V87.1Confident91.9Very high1 Ų128.7 Ų28.71%0.00614%0.135CC..  trans-86.6139174.6170.70000110.8P66 Q73 L74 N97 L123P66-V69 HydrophobicContact CB-CG2 3.96Å; P66-V69 HydrophobicContact CG-CG2 4.13Å; P66-V69 PolarHBondContact O-N 2.97Å; V69-Q73 HydrophobicContact CG1-CB 4.37Å; V69-L74 HydrophobicContact CG1-CD1 3.84Å; V69-L74 HydrophobicContact CG1-CD2 3.81Å; V69-L74 HydrophobicContact CG1-CG 3.62Å; V69-N97 PolarHBondContact O-ND2 3.32Å; V69-L123 HydrophobicContact CB-CD2 4.23Å; V69-L123 HydrophobicContact CG1-CD2 3.74Å; V69-L123 HydrophobicContact CG2-CD2 3.71Å
70Y91Very high92.1Very high13 Ų1338.4 Ų38.45%0.05117%0.171CC..  trans-126.1-178.3178.2-58.3-56.6000113.1N18 L22 H72 Q73 L74 L89 M91 G95N18-Y70 HydrophobicContact CB-CD2 3.83Å; N18-Y70 HydrophobicContact CB-CE2 3.98Å; L22-Y70 HydrophobicContact CD2-CG 4.26Å; Y70-H72 VanDerWaalsContact C-N 3.27Å; Y70-H72 PolarHBondContact O-N 3.41Å; Y70-Q73 PolarHBondContact O-N 3.37Å; Y70-L74 PolarHBondContact O-N 2.91Å; Y70-L89 HydrophobicContact CD1-CD2 4.14Å; Y70-M91 HydrophobicContact CD1-CE 4.44Å; Y70-M91 HydrophobicContact CE1-CE 4.02Å; Y70-G95 PolarHBondContact OH-O 3.33Å
71E93.6Very high92.1Very high0 Ų040.1 Ų40.10%018%0.182CC..Hα-helixtrans-60.5-30.7-172.6-65.690164.800114.3L22 W25 L33 R40 Q73 L74 I75 F87 L89L22-E71 HydrophobicContact CD1-CB 4.06Å; W25-E71 HydrophobicContact CZ3-CB 4.45Å; L33-E71 HydrophobicContact CD1-CB 4.3Å; L33-E71 HydrophobicContact CD1-CG 4.43Å; R40-E71 VanDerWaalsContact CB-OE1 3.27Å; R40-E71 WeakPolarHBondContact CB-OE1 3.41Å; R40-E71 WeakPolarHBondContact CD-OE1 3.28Å; R40-E71 WeakPolarHBondContact CG-OE1 3.48Å; R40-E71 IonicContact NE-OE1 2.7Å; R40-E71 IonicContact NH1-OE1 2.67Å; R40-E71 IonicContact NH1-OE2 3.52Å; R40-E71 PolarHBondContact NH1-OE2 3.49Å; E71-Q73 PolarHBondContact O-N 2.84Å; E71-L74 PolarHBondContact O-N 3.43Å; E71-I75 HydrophobicContact CB-CD1 3.7Å; E71-I75 HydrophobicContact CB-CG1 4.06Å; E71-I75 HydrophobicContact CG-CD1 4.12Å; E71-I75 WeakPolarHBondContact O-CB 3.16Å; E71-I75 PolarHBondContact O-N 3.35Å; E71-F87 HydrophobicContact CG-CD1 4.35Å; E71-F87 HydrophobicContact CG-CE1 4.29Å; E71-L89 HydrophobicContact CG-CB 4.32Å; E71-L89 HydrophobicContact CG-CD2 4.25Å; E71-L89 VanDerWaalsContact OE1-CB 3.32Å; E71-L89 WeakPolarHBondContact OE1-CB 3.31Å; E71-L89 WeakPolarHBondContact OE1-CD2 3.46Å
72H92.5Very high92.1Very high28 Ų2838.8 Ų38.813%0.1318%0.181CC..Hα-helixtrans-59.7-28.2178.569.9-77000113.4N18 L22 W25 Y70 P76N18-H72 PolarHBondContact O-CE1 3.1Å; L22-H72 HydrophobicContact CD1-CB 4.07Å; W25-H72 HydrophobicContact CB-CB 3.66Å; W25-H72 HydrophobicContact CD2-CB 3.74Å; W25-H72 HydrophobicContact CE3-CB 3.99Å; W25-H72 HydrophobicContact CG-CB 3.6Å; Y70-H72 VanDerWaalsContact C-N 3.27Å; Y70-H72 PolarHBondContact O-N 3.41Å; H72-P76 VanDerWaalsContact O-CD 3.23Å; H72-P76 WeakPolarHBondContact O-CD 3.31Å; H72-P76 VanDerWaalsContact O-CG 3.25Å; H72-P76 WeakPolarHBondContact O-CG 3.08Å
73Q92.2Very high91.9Very high65 Ų6545.3 Ų45.330%0.30421%0.206SC..Hα-helixtrans-91.1-41173.2-76.7170.265.500111.8N18 V69 Y70 E71 L77N18-Q73 PolarHBondContact OD1-NE2 2.89Å; V69-Q73 HydrophobicContact CG1-CB 4.37Å; Y70-Q73 PolarHBondContact O-N 3.37Å; E71-Q73 PolarHBondContact O-N 2.84Å; Q73-L77 WeakPolarHBondContact O-CB 3.46Å; Q73-L77 PolarHBondContact O-N 3.47Å
74L94.6Very high92Very high0 Ų045.3 Ų45.30%021%0.206CC..Hα-helixtrans-76.8-44.4-172-62.9175.2000113.1L65 V69 Y70 E71 L77 F78 F87 L89 L123L65-L74 HydrophobicContact CD1-CD1 4Å; L65-L74 HydrophobicContact CD2-CD1 3.97Å; L65-L74 HydrophobicContact CD2-CD2 3.65Å; L65-L74 HydrophobicContact CD2-CG 4.48Å; V69-L74 HydrophobicContact CG1-CD1 3.84Å; V69-L74 HydrophobicContact CG1-CD2 3.81Å; V69-L74 HydrophobicContact CG1-CG 3.62Å; Y70-L74 PolarHBondContact O-N 2.91Å; E71-L74 PolarHBondContact O-N 3.43Å; L74-L77 PolarHBondContact O-N 3.48Å; L74-F78 VanDerWaalsContact O-CD2 3.25Å; L74-F78 WeakPolarHBondContact O-CD2 3.39Å; L74-F78 PolarHBondContact O-N 2.92Å; L74-F87 HydrophobicContact CB-CE1 4.28Å; L74-F87 HydrophobicContact CB-CE2 4.21Å; L74-F87 HydrophobicContact CB-CZ 3.62Å; L74-F87 HydrophobicContact CD1-CE1 4.4Å; L74-F87 HydrophobicContact CD1-CZ 3.93Å; L74-F87 HydrophobicContact CG-CZ 4.4Å; L74-L89 HydrophobicContact CD1-CD1 4.19Å; L74-L123 HydrophobicContact CD2-CD2 4.06Å
75I95Very high92.2Very high0 Ų040.5 Ų40.50%019%0.188CC..Hα-helixtrans-62.3-50.4-176.7-69.3178.3000110.8W25 L33 Y42 E71 L77 F78 Q79 L84 F87W25-I75 HydrophobicContact CH2-CB 4.03Å; W25-I75 HydrophobicContact CH2-CD1 3.83Å; W25-I75 HydrophobicContact CH2-CG1 4.49Å; W25-I75 HydrophobicContact CH2-CG2 4.07Å; W25-I75 HydrophobicContact CZ2-CB 4.22Å; W25-I75 HydrophobicContact CZ2-CG2 4.14Å; W25-I75 HydrophobicContact CZ3-CD1 4.4Å; L33-I75 HydrophobicContact CD2-CD1 4.43Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CD1-CG2 4.34Å; Y42-I75 HydrophobicContact CD2-CD1 4.16Å; Y42-I75 HydrophobicContact CE1-CG2 4.25Å; Y42-I75 HydrophobicContact CG-CD1 3.56Å; E71-I75 HydrophobicContact CB-CD1 3.7Å; E71-I75 HydrophobicContact CB-CG1 4.06Å; E71-I75 HydrophobicContact CG-CD1 4.12Å; E71-I75 WeakPolarHBondContact O-CB 3.16Å; E71-I75 PolarHBondContact O-N 3.35Å; I75-L77 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 2.94Å; I75-F78 PolarHBondContact O-N 2.87Å; I75-Q79 HydrophobicContact CG2-CG 4.12Å; I75-Q79 WeakPolarHBondContact O-CB 3.35Å; I75-Q79 VanDerWaalsContact O-CG 3.27Å; I75-Q79 WeakPolarHBondContact O-CG 3.49Å; I75-Q79 PolarHBondContact O-N 2.92Å; I75-L84 HydrophobicContact CG2-CD1 4.32Å; I75-F87 HydrophobicContact CD1-CB 4.35Å; I75-F87 HydrophobicContact CD1-CD1 4.26Å; I75-F87 HydrophobicContact CD1-CG 4.41Å; I75-F87 HydrophobicContact CG1-CB 4.16Å; I75-F87 HydrophobicContact CG1-CD1 3.89Å; I75-F87 HydrophobicContact CG1-CD2 4.3Å; I75-F87 HydrophobicContact CG1-CE1 4.38Å; I75-F87 HydrophobicContact CG1-CG 3.86Å
76P94.6Very high92.3Very high37 Ų3740.6 Ų40.624%0.2419%0.188CC..Hα-helixtrans-60.1-39.5177-2738000112.9W25 H72 F78 Q79 R80W25-P76 HydrophobicContact CZ2-CG 4.18Å; H72-P76 VanDerWaalsContact O-CD 3.23Å; H72-P76 WeakPolarHBondContact O-CD 3.31Å; H72-P76 VanDerWaalsContact O-CG 3.25Å; H72-P76 WeakPolarHBondContact O-CG 3.08Å; P76-F78 PolarHBondContact O-N 3.39Å; P76-Q79 PolarHBondContact O-N 2.93Å; P76-R80 WeakPolarHBondContact O-CG 3.09Å; P76-R80 PolarHBondContact O-N 2.7Å; P76-R80 VanDerWaalsContact O-N 3.16Å
77L95.1Very high92.7Very high16 Ų1639.7 Ų39.78%0.08418%0.182CC..Hα-helixtrans-59.6-46.8177.7178.464.2000111.9Q73 L74 I75 R80 L118 L123 L129Q73-L77 WeakPolarHBondContact O-CB 3.46Å; Q73-L77 PolarHBondContact O-N 3.47Å; L74-L77 PolarHBondContact O-N 3.48Å; I75-L77 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 2.94Å; L77-R80 PolarHBondContact O-N 3.44Å; L77-L118 HydrophobicContact CD1-CD2 3.88Å; L77-L118 HydrophobicContact CD2-CD2 4.49Å; L77-L118 HydrophobicContact CG-CD2 4Å; L77-L123 HydrophobicContact CD2-CD1 4.22Å; L77-L129 HydrophobicContact CD2-CD1 3.91Å
78F96.3Very high93.1Very high0 Ų034.8 Ų34.80%016%0.159CC..Hα-helixtrans-75.3-30.2-180-80-105.6000112.2V60 I62 L74 I75 P76 R80 V81 G82 L84 F87 A103 Y105 L118 L129 V131V60-F78 HydrophobicContact CG2-CE1 4.14Å; I62-F78 HydrophobicContact CB-CZ 4.31Å; I62-F78 HydrophobicContact CD1-CD1 3.93Å; I62-F78 HydrophobicContact CD1-CD2 4.35Å; I62-F78 HydrophobicContact CD1-CE1 3.34Å; I62-F78 HydrophobicContact CD1-CE2 3.79Å; I62-F78 HydrophobicContact CD1-CG 4.43Å; I62-F78 HydrophobicContact CD1-CZ 3.27Å; I62-F78 HydrophobicContact CG1-CE1 3.6Å; I62-F78 HydrophobicContact CG1-CE2 4.39Å; I62-F78 HydrophobicContact CG1-CZ 3.48Å; I62-F78 VanDerWaalsContact CG1-CZ 3.48Å; I62-F78 HydrophobicContact CG2-CE2 4.35Å; I62-F78 HydrophobicContact CG2-CZ 3.85Å; L74-F78 VanDerWaalsContact O-CD2 3.25Å; L74-F78 WeakPolarHBondContact O-CD2 3.39Å; L74-F78 PolarHBondContact O-N 2.92Å; I75-F78 PolarHBondContact O-N 2.87Å; P76-F78 PolarHBondContact O-N 3.39Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 3.34Å; F78-V81 PolarHBondContact O-N 2.93Å; F78-G82 PolarHBondContact O-N 3.43Å; F78-L84 HydrophobicContact CB-CD1 3.97Å; F78-L84 HydrophobicContact CB-CD2 4.26Å; F78-F87 HydrophobicContact CD2-CE2 4.46Å; F78-A103 HydrophobicContact CD1-CB 3.9Å; F78-A103 HydrophobicContact CE1-CB 4.43Å; F78-Y105 HydrophobicContact CD1-CE2 4.43Å; F78-Y105 VanDerWaalsContact CD1-OH 3.28Å; F78-Y105 WeakPolarHBondContact CD1-OH 3.39Å; F78-Y105 PolarHBondContact O-OH 3.34Å; F78-Y105 VanDerWaalsContact O-OH 3.07Å; F78-L118 HydrophobicContact CB-CD1 4.46Å; F78-L118 HydrophobicContact CD1-CD1 3.65Å; F78-L118 HydrophobicContact CD2-CD1 3.97Å; F78-L118 HydrophobicContact CE1-CD1 3.67Å; F78-L118 HydrophobicContact CE2-CD1 4.04Å; F78-L118 HydrophobicContact CG-CD1 3.78Å; F78-L118 HydrophobicContact CZ-CD1 3.86Å; F78-L129 HydrophobicContact CE2-CD1 4.32Å; F78-V131 HydrophobicContact CE1-CG1 4.35Å; F78-V131 HydrophobicContact CE1-CG2 4.33Å; F78-V131 HydrophobicContact CZ-CG2 3.96Å
79Q95Very high93.7Very high75 Ų7532.9 Ų32.935%0.3515%0.149SC..Hα-helixtrans-64.6-28.9173.7-77.8177.5-36.700113.3Y42 I75 P76 V81 G82 L84Y42-Q79 PolarHBondContact OH-NE2 3.22Å; I75-Q79 HydrophobicContact CG2-CG 4.12Å; I75-Q79 WeakPolarHBondContact O-CB 3.35Å; I75-Q79 VanDerWaalsContact O-CG 3.27Å; I75-Q79 WeakPolarHBondContact O-CG 3.49Å; I75-Q79 PolarHBondContact O-N 2.92Å; P76-Q79 PolarHBondContact O-N 2.93Å; Q79-V81 PolarHBondContact O-N 2.92Å; Q79-G82 WeakPolarHBondContact CA-O 2.84Å; Q79-G82 PolarHBondContact O-N 3.08Å; Q79-L84 HydrophobicContact CG-CB 4.45Å; Q79-L84 HydrophobicContact CG-CD1 3.76Å; Q79-L84 HydrophobicContact CG-CG 4.02Å
80R95.2Very high94Very high212 Ų21233.8 Ų33.880%0.815%0.153SC*.THydrogen-bonded Turntrans-60.2-29174.8-71.6171-175.3-170.70.7113P76 L77 F78P76-R80 WeakPolarHBondContact O-CG 3.09Å; P76-R80 PolarHBondContact O-N 2.7Å; P76-R80 VanDerWaalsContact O-N 3.16Å; L77-R80 PolarHBondContact O-N 3.44Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 3.34Å
81V95.8Very high93.8Very high37 Ų3733.1 Ų33.122%0.22415%0.15CC..THydrogen-bonded Turntrans-85.6-33.3179.8-176.30000112F78 Q79 A113 A114 T117 L118F78-V81 PolarHBondContact O-N 2.93Å; Q79-V81 PolarHBondContact O-N 2.92Å; V81-A113 HydrophobicContact CG1-CB 3.71Å; V81-A114 HydrophobicContact CG1-CB 4.18Å; V81-T117 HydrophobicContact CG2-CG2 4.25Å; V81-L118 HydrophobicContact CG2-CD1 3.72Å; V81-L118 HydrophobicContact CG2-CD2 4.18Å; V81-L118 HydrophobicContact CG2-CG 3.82Å
82G93.4Very high93.3Very high20 Ų2034.9 Ų34.921%0.20616%0.161CC..SBendtrans179170.6177.300000113.9F78 Q79 L84 Y105F78-G82 PolarHBondContact O-N 3.43Å; Q79-G82 WeakPolarHBondContact CA-O 2.84Å; Q79-G82 PolarHBondContact O-N 3.08Å; G82-L84 PolarHBondContact O-N 3Å; G82-L84 VanDerWaalsContact O-N 3.13Å; G82-Y105 WeakPolarHBondContact O-CE1 3.33Å
83R92.6Very high92.5Very high137 Ų13742.7 Ų42.752%0.51720%0.195SC..  trans-65.6114.2-179.2-170.5174.5-176.7-170.43.1110.9W49 S106W49-R83 HydrophobicContact CZ3-CG 4.23Å; R83-S106 PolarHBondContact O-N 2.84Å; R83-S106 PolarHBondContact O-OG 2.99Å
84L94.3Very high91.5Very high3 Ų340.8 Ų40.82%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-75.5136.1172.9-68-179.5000111Y42 I75 F78 Q79 G82 F87 A103 Y105Y42-L84 HydrophobicContact CE1-CB 4.31Å; I75-L84 HydrophobicContact CG2-CD1 4.32Å; F78-L84 HydrophobicContact CB-CD1 3.97Å; F78-L84 HydrophobicContact CB-CD2 4.26Å; Q79-L84 HydrophobicContact CG-CB 4.45Å; Q79-L84 HydrophobicContact CG-CD1 3.76Å; Q79-L84 HydrophobicContact CG-CG 4.02Å; G82-L84 PolarHBondContact O-N 3Å; G82-L84 VanDerWaalsContact O-N 3.13Å; L84-F87 HydrophobicContact CD1-CD2 4.34Å; L84-A103 HydrophobicContact CD2-CB 3.99Å; L84-Y105 HydrophobicContact CD2-CD1 3.85Å; L84-Y105 HydrophobicContact CD2-CD2 4.28Å; L84-Y105 HydrophobicContact CD2-CE1 3.57Å; L84-Y105 HydrophobicContact CD2-CE2 4.04Å; L84-Y105 HydrophobicContact CD2-CG 4.21Å; L84-Y105 HydrophobicContact CG-CE1 4.4Å
85Y93.3Very high90.4Very high24 Ų2441.9 Ų41.99%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-94.9-42.3170.7176.9-95000111.4G44 P45 P46 W49 P54 R104G44-Y85 PolarHBondContact N-O 3.03Å; P45-Y85 HydrophobicContact CB-CE2 3.77Å; P46-Y85 WeakPolarHBondContact CD-O 3.33Å; W49-Y85 AromaticContact CD2-CD2 3.96Å; W49-Y85 HydrophobicContact CD2-CD2 3.96Å; W49-Y85 HydrophobicContact CD2-CE2 4.26Å; W49-Y85 AromaticContact CE2-CD2 3.74Å; W49-Y85 AromaticContact CE2-CE2 3.92Å; W49-Y85 HydrophobicContact CE3-CD2 4.28Å; W49-Y85 HydrophobicContact CG-CE2 4.4Å; W49-Y85 HydrophobicContact CH2-CD2 4.26Å; W49-Y85 AromaticContact CZ2-CD2 3.92Å; W49-Y85 HydrophobicContact CZ2-CD2 3.92Å; W49-Y85 HydrophobicContact CZ2-CE2 4.39Å; W49-Y85 HydrophobicContact CZ3-CD2 4.42Å; W49-Y85 AromaticContact NE1-CE2 3.81Å; P54-Y85 VanDerWaalsContact CG-CB 3.5Å; P54-Y85 HydrophobicContact CG-CD1 3.88Å; P54-Y85 HydrophobicContact CG-CD2 3.65Å; P54-Y85 HydrophobicContact CG-CE2 4.32Å; P54-Y85 HydrophobicContact CG-CG 3.38Å; Y85-R104 WeakPolarHBondContact CB-O 3.27Å; Y85-R104 HydrophobicContact CD1-CG 4.43Å; Y85-R104 PolarHBondContact N-O 2.83Å
86E92.9Very high89.8Confident11 Ų1142.3 Ų42.35%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-150138.8179.9-175-179-151.100109K41 Y42 R88 R104K41-E86 WeakPolarHBondContact CE-OE1 3.34Å; K41-E86 IonicContact NZ-OE1 3.02Å; K41-E86 PolarHBondContact NZ-OE1 3.44Å; Y42-E86 CarbonylContact O-C 3.49Å; Y42-E86 WeakPolarHBondContact O-CA 3.47Å; E86-R88 HydrophobicContact CG-CG 3.98Å; E86-R104 HydrophobicContact CB-CB 4.17Å; E86-R104 PolarHBondContact N-O 3.06Å; E86-R104 PolarHBondContact O-N 3.26Å
87F95Very high89.6Confident0 Ų040.5 Ų40.50%019%0.191CC..EExtended strand (participates in β ladder)trans-126.8134.8170.3-173.2-82.7000109.1K41 Y42 I62 E71 L74 I75 F78 L84 L89 A101 Y102 A103K41-F87 CarbonylContact C-O 3.58Å; K41-F87 WeakPolarHBondContact CA-O 3.5Å; Y42-F87 HydrophobicContact CD1-CB 4.03Å; Y42-F87 PolarHBondContact N-O 3.2Å; Y42-F87 PolarHBondContact O-N 3.08Å; I62-F87 HydrophobicContact CD1-CE2 3.64Å; I62-F87 HydrophobicContact CD1-CZ 4.16Å; E71-F87 HydrophobicContact CG-CD1 4.35Å; E71-F87 HydrophobicContact CG-CE1 4.29Å; L74-F87 HydrophobicContact CB-CE1 4.28Å; L74-F87 HydrophobicContact CB-CE2 4.21Å; L74-F87 HydrophobicContact CB-CZ 3.62Å; L74-F87 HydrophobicContact CD1-CE1 4.4Å; L74-F87 HydrophobicContact CD1-CZ 3.93Å; L74-F87 HydrophobicContact CG-CZ 4.4Å; I75-F87 HydrophobicContact CD1-CB 4.35Å; I75-F87 HydrophobicContact CD1-CD1 4.26Å; I75-F87 HydrophobicContact CD1-CG 4.41Å; I75-F87 HydrophobicContact CG1-CB 4.16Å; I75-F87 HydrophobicContact CG1-CD1 3.89Å; I75-F87 HydrophobicContact CG1-CD2 4.3Å; I75-F87 HydrophobicContact CG1-CE1 4.38Å; I75-F87 HydrophobicContact CG1-CG 3.86Å; F78-F87 HydrophobicContact CD2-CE2 4.46Å; L84-F87 HydrophobicContact CD1-CD2 4.34Å; F87-L89 HydrophobicContact CE1-CB 4.22Å; F87-A101 HydrophobicContact CE1-CB 4.1Å; F87-A101 HydrophobicContact CZ-CB 3.76Å; F87-Y102 CarbonylContact C-O 3.59Å; F87-Y102 WeakPolarHBondContact CA-O 3.5Å; F87-A103 HydrophobicContact CD2-CB 3.74Å; F87-A103 HydrophobicContact CE2-CB 4.11Å
88R93.9Very high89.2Confident12 Ų1245 Ų455%0.04521%0.206CC..EExtended strand (participates in β ladder)trans-130.7109.2-175.1-56.8-176.5-72111.8-0.4109.6R40 K41 E59 E86 A101 Y102R40-R88 WeakPolarHBondContact O-CA 3.42Å; K41-R88 HydrophobicContact CG-CG 4.26Å; E59-R88 VanDerWaalsContact CD-NH2 3.31Å; E59-R88 IonicContact OE1-NH2 2.82Å; E59-R88 PolarHBondContact OE1-NH2 2.67Å; E59-R88 IonicContact OE2-CZ 3.42Å; E59-R88 IonicContact OE2-NE 3.44Å; E59-R88 IonicContact OE2-NH2 3.15Å; E59-R88 PolarHBondContact OE2-NH2 3.48Å; E86-R88 HydrophobicContact CG-CG 3.98Å; R88-A101 CarbonylContact O-C 3.43Å; R88-A101 VanDerWaalsContact O-CA 3.23Å; R88-A101 WeakPolarHBondContact O-CA 3.44Å; R88-A101 WeakPolarHBondContact O-CB 3.47Å; R88-Y102 PolarHBondContact N-O 3.21Å; R88-Y102 VanDerWaalsContact NH2-CB 3.33Å; R88-Y102 VanDerWaalsContact NH2-CG 3.27Å; R88-Y102 PolarHBondContact O-N 3.18Å
89L94.4Very high88.9Confident0 Ų045.9 Ų45.90%022%0.215CC..EExtended strand (participates in β ladder)trans-92.2128170.5-171.158.7000109.3Q39 R40 L65 Y70 E71 L74 F87 M91 N97 A101Q39-L89 CarbonylContact C-O 3.47Å; Q39-L89 WeakPolarHBondContact CA-O 3.31Å; R40-L89 PolarHBondContact N-O 3.41Å; R40-L89 PolarHBondContact O-N 3.27Å; L65-L89 HydrophobicContact CD1-CD1 4.19Å; Y70-L89 HydrophobicContact CD1-CD2 4.14Å; E71-L89 HydrophobicContact CG-CB 4.32Å; E71-L89 HydrophobicContact CG-CD2 4.25Å; E71-L89 VanDerWaalsContact OE1-CB 3.32Å; E71-L89 WeakPolarHBondContact OE1-CB 3.31Å; E71-L89 WeakPolarHBondContact OE1-CD2 3.46Å; L74-L89 HydrophobicContact CD1-CD1 4.19Å; F87-L89 HydrophobicContact CE1-CB 4.22Å; L89-M91 HydrophobicContact CB-SD 4.31Å; L89-M91 HydrophobicContact CD2-SD 3.72Å; L89-M91 HydrophobicContact CG-SD 3.71Å; L89-N97 HydrophobicContact CD1-CB 3.78Å; L89-N97 HydrophobicContact CD2-CB 4.02Å; L89-N97 HydrophobicContact CG-CB 3.88Å; L89-A101 HydrophobicContact CD1-CB 3.84Å
90M92.5Very high88.8Confident19 Ų1944.9 Ų44.99%0.09421%0.21CC..EExtended strand (participates in β ladder)trans-84.7124179.5-59.2-60.6-62.600109.2Q39 N97 R98 F100 Y102Q39-M90 HydrophobicContact CB-SD 4.21Å; Q39-M90 HydrophobicContact CG-CE 3.71Å; Q39-M90 HydrophobicContact CG-SD 3.56Å; Q39-M90 VanDerWaalsContact CG-SD 3.56Å; M90-N97 CarbonylContact O-C 3.52Å; M90-N97 VanDerWaalsContact O-CA 3.26Å; M90-N97 WeakPolarHBondContact O-CA 2.74Å; M90-R98 HydrophobicContact CB-CB 4.05Å; M90-R98 HydrophobicContact CB-CG 4.2Å; M90-R98 PolarHBondContact O-N 3.41Å; M90-F100 HydrophobicContact CB-CD2 4.46Å; M90-F100 HydrophobicContact CB-CE1 4.28Å; M90-F100 HydrophobicContact CB-CE2 4.14Å; M90-F100 HydrophobicContact CB-CZ 4.02Å; M90-F100 HydrophobicContact CG-CD2 3.8Å; M90-F100 HydrophobicContact CG-CE1 4.43Å; M90-F100 HydrophobicContact CG-CE2 3.43Å; M90-F100 VanDerWaalsContact CG-CE2 3.43Å; M90-F100 HydrophobicContact CG-CG 4.49Å; M90-F100 HydrophobicContact CG-CZ 3.76Å; M90-F100 PolarHBondContact N-O 2.98Å; M90-Y102 HydrophobicContact CG-CE2 4.42Å
91M87.1Confident88.8Confident0 Ų034.8 Ų34.80%017%0.172CC..EExtended strand (participates in β ladder)trans-111.9144.3-172.6-56.5-57.7-59.500111.4G38 R40 Y70 L89 G95 L96 N97 R98G38-M91 PolarHBondContact O-N 2.78Å; R40-M91 HydrophobicContact CB-CG 3.89Å; R40-M91 HydrophobicContact CB-SD 4.49Å; Y70-M91 HydrophobicContact CD1-CE 4.44Å; Y70-M91 HydrophobicContact CE1-CE 4.02Å; L89-M91 HydrophobicContact CB-SD 4.31Å; L89-M91 HydrophobicContact CD2-SD 3.72Å; L89-M91 HydrophobicContact CG-SD 3.71Å; M91-G95 WeakPolarHBondContact CE-O 3.23Å; M91-L96 WeakPolarHBondContact CA-O 3.44Å; M91-L96 WeakPolarHBondContact CE-O 3.44Å; M91-N97 HydrophobicContact SD-CB 4.09Å; M91-R98 PolarHBondContact O-NE 3.26Å; M91-R98 PolarHBondContact O-NH2 3.33Å
92T83.3Confident88.8Confident37 Ų3735 Ų3523%0.22717%0.169CC..  trans-79.3169.4164.163.70000109.7S94 G95 L96 R98T92-S94 PolarHBondContact O-N 3.06Å; T92-S94 PolarHBondContact OG1-N 3.4Å; T92-S94 PolarHBondContact OG1-OG 3.19Å; T92-G95 PolarHBondContact O-N 3.38Å; T92-L96 PolarHBondContact N-O 2.7Å; T92-L96 PolarHBondContact OG1-N 3.18Å; T92-L96 PolarHBondContact OG1-O 3.19Å; T92-R98 HydrophobicContact CG2-CG 3.82Å
93F76.3Confident88.9Confident191 Ų19134.1 Ų34.184%0.83816%0.159SC*.THydrogen-bonded Turntrans-68.9-22.2169.7-59-71.2000112G95F93-G95 PolarHBondContact O-N 3.22Å
94S70.4Confident88.9Confident26 Ų2628.4 Ų28.418%0.18214%0.138CC..THydrogen-bonded Turntrans-83.723.6174.162.20000113.7C11 T92 L96C11-S94 WeakPolarHBondContact SG-CA 3.35Å; C11-S94 PolarHBondContact SG-O 3.19Å; T92-S94 PolarHBondContact O-N 3.06Å; T92-S94 PolarHBondContact OG1-N 3.4Å; T92-S94 PolarHBondContact OG1-OG 3.19Å; S94-L96 PolarHBondContact O-N 3.27Å
95G73.1Confident88.9Confident22 Ų2228.3 Ų28.323%0.22714%0.137CC..SBendtrans69.6-9.4170.400000116.8Y70 M91 T92 F93Y70-G95 PolarHBondContact OH-O 3.33Å; M91-G95 WeakPolarHBondContact CE-O 3.23Å; T92-G95 PolarHBondContact O-N 3.38Å; F93-G95 PolarHBondContact O-N 3.22Å
96L81.7Confident88.9Confident9 Ų929 Ų295%0.04715%0.146CC..SBendtrans-83.5159.3173.4-61.9177.9000111.3W10 V14 M91 T92 S94W10-L96 HydrophobicContact CZ3-CD1 4.02Å; V14-L96 HydrophobicContact CG1-CD1 4.16Å; V14-L96 HydrophobicContact CG1-CD2 3.95Å; M91-L96 WeakPolarHBondContact CA-O 3.44Å; M91-L96 WeakPolarHBondContact CE-O 3.44Å; T92-L96 PolarHBondContact N-O 2.7Å; T92-L96 PolarHBondContact OG1-N 3.18Å; T92-L96 PolarHBondContact OG1-O 3.19Å; S94-L96 PolarHBondContact O-N 3.27Å
97N89.3Confident88.9Confident0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-81.5158.2173.180.666.6000111.7P66 Q67 V69 L89 M90 M91 G99P66-N97 PolarHBondContact O-ND2 2.93Å; Q67-N97 WeakPolarHBondContact CA-ND2 3.28Å; Q67-N97 PolarHBondContact O-N 2.79Å; Q67-N97 PolarHBondContact O-ND2 3.43Å; V69-N97 PolarHBondContact O-ND2 3.32Å; L89-N97 HydrophobicContact CD1-CB 3.78Å; L89-N97 HydrophobicContact CD2-CB 4.02Å; L89-N97 HydrophobicContact CG-CB 3.88Å; M90-N97 CarbonylContact O-C 3.52Å; M90-N97 VanDerWaalsContact O-CA 3.26Å; M90-N97 WeakPolarHBondContact O-CA 2.74Å; M91-N97 HydrophobicContact SD-CB 4.09Å; N97-G99 VanDerWaalsContact C-N 3.26Å; N97-G99 PolarHBondContact O-N 3.04Å; N97-G99 VanDerWaalsContact OD1-CA 3.28Å; N97-G99 WeakPolarHBondContact OD1-CA 3.4Å; N97-G99 PolarHBondContact OD1-N 2.99Å
98R88.4Confident88.8Confident110 Ų11037.2 Ų37.242%0.41518%0.183SC..EExtended strand (participates in β ladder)trans-84.710.8-178.4-61.7-171.4-174.6-166.8-3.5114.1M90 M91 T92 F100M90-R98 HydrophobicContact CB-CB 4.05Å; M90-R98 HydrophobicContact CB-CG 4.2Å; M90-R98 PolarHBondContact O-N 3.41Å; M91-R98 PolarHBondContact O-NE 3.26Å; M91-R98 PolarHBondContact O-NH2 3.33Å; T92-R98 HydrophobicContact CG2-CG 3.82Å; R98-F100 HydrophobicContact CB-CD1 4.03Å; R98-F100 HydrophobicContact CB-CE1 3.68Å; R98-F100 WeakPolarHBondContact O-CD1 3.49Å
99G89.2Confident88.8Confident18 Ų1846.5 Ų46.519%0.18622%0.218CC..EExtended strand (participates in β ladder)trans82.49.2-178.400000115.3R64 L65 N97R64-G99 PolarHBondContact N-O 2.94Å; L65-G99 PolarHBondContact N-O 3.24Å; L65-G99 VanDerWaalsContact O-CA 3.27Å; L65-G99 WeakPolarHBondContact O-CA 3.49Å; N97-G99 VanDerWaalsContact C-N 3.26Å; N97-G99 PolarHBondContact O-N 3.04Å; N97-G99 VanDerWaalsContact OD1-CA 3.28Å; N97-G99 WeakPolarHBondContact OD1-CA 3.4Å; N97-G99 PolarHBondContact OD1-N 2.99Å
100F93.3Very high88.8Confident55 Ų5547 Ų4724%0.24122%0.223CC..EExtended strand (participates in β ladder)trans-152.3156.517668.6-79.1000113.8F61 I62 M90 R98 Y102F61-F100 HydrophobicContact CD2-CD2 4.44Å; F61-F100 HydrophobicContact CE2-CB 3.7Å; F61-F100 AromaticContact CE2-CD2 3.67Å; F61-F100 HydrophobicContact CE2-CD2 3.67Å; F61-F100 AromaticContact CE2-CG 3.95Å; F61-F100 HydrophobicContact CE2-CG 3.95Å; F61-F100 HydrophobicContact CZ-CB 3.77Å; F61-F100 HydrophobicContact CZ-CG 4.35Å; I62-F100 CarbonylContact O-C 3.6Å; I62-F100 WeakPolarHBondContact O-CA 3.37Å; I62-F100 WeakPolarHBondContact O-CB 3.47Å; M90-F100 HydrophobicContact CB-CD2 4.46Å; M90-F100 HydrophobicContact CB-CE1 4.28Å; M90-F100 HydrophobicContact CB-CE2 4.14Å; M90-F100 HydrophobicContact CB-CZ 4.02Å; M90-F100 HydrophobicContact CG-CD2 3.8Å; M90-F100 HydrophobicContact CG-CE1 4.43Å; M90-F100 HydrophobicContact CG-CE2 3.43Å; M90-F100 VanDerWaalsContact CG-CE2 3.43Å; M90-F100 HydrophobicContact CG-CG 4.49Å; M90-F100 HydrophobicContact CG-CZ 3.76Å; M90-F100 PolarHBondContact N-O 2.98Å; R98-F100 HydrophobicContact CB-CD1 4.03Å; R98-F100 HydrophobicContact CB-CE1 3.68Å; R98-F100 WeakPolarHBondContact O-CD1 3.49Å; F100-Y102 AromaticContact CD2-CE2 3.8Å; F100-Y102 HydrophobicContact CD2-CE2 3.8Å; F100-Y102 AromaticContact CE2-CE2 3.75Å; F100-Y102 HydrophobicContact CE2-CE2 3.75Å
101A95.4Very high88.9Confident0 Ų046.2 Ų46.20%022%0.219CC..EExtended strand (participates in β ladder)trans-143.2169.8179.100000111I62 L65 F87 R88 L89I62-A101 HydrophobicContact CB-CB 4.24Å; I62-A101 HydrophobicContact CD1-CB 4.14Å; I62-A101 PolarHBondContact N-O 3.44Å; I62-A101 PolarHBondContact O-N 3.32Å; L65-A101 HydrophobicContact CD1-CB 3.64Å; F87-A101 HydrophobicContact CE1-CB 4.1Å; F87-A101 HydrophobicContact CZ-CB 3.76Å; R88-A101 CarbonylContact O-C 3.43Å; R88-A101 VanDerWaalsContact O-CA 3.23Å; R88-A101 WeakPolarHBondContact O-CA 3.44Å; R88-A101 WeakPolarHBondContact O-CB 3.47Å; L89-A101 HydrophobicContact CD1-CB 3.84Å
102Y94.6Very high89.4Confident42 Ų4252.5 Ų52.517%0.16525%0.249CC..EExtended strand (participates in β ladder)trans-127.7138.7172.1-62.4-92.2000110E59 V60 F61 F87 R88 M90 F100E59-Y102 HydrophobicContact CG-CD1 4.43Å; V60-Y102 WeakPolarHBondContact O-CA 3.36Å; F61-Y102 HydrophobicContact CB-CD1 4.47Å; F61-Y102 HydrophobicContact CB-CE1 4.27Å; F61-Y102 HydrophobicContact CD2-CD1 4.4Å; F61-Y102 AromaticContact CD2-CE1 3.71Å; F61-Y102 HydrophobicContact CD2-CE1 3.71Å; F61-Y102 AromaticContact CD2-CZ 3.82Å; F61-Y102 HydrophobicContact CG-CE1 4.49Å; F87-Y102 CarbonylContact C-O 3.59Å; F87-Y102 WeakPolarHBondContact CA-O 3.5Å; R88-Y102 PolarHBondContact N-O 3.21Å; R88-Y102 VanDerWaalsContact NH2-CB 3.33Å; R88-Y102 VanDerWaalsContact NH2-CG 3.27Å; R88-Y102 PolarHBondContact O-N 3.18Å; M90-Y102 HydrophobicContact CG-CE2 4.42Å; F100-Y102 AromaticContact CD2-CE2 3.8Å; F100-Y102 HydrophobicContact CD2-CE2 3.8Å; F100-Y102 AromaticContact CE2-CE2 3.75Å; F100-Y102 HydrophobicContact CE2-CE2 3.75Å
103A95.3Very high90Very high0 Ų052.4 Ų52.40%025%0.252CS..EExtended strand (participates in β ladder)trans-124.9119.8173.500000109.7E59 V60 I62 F78 L84 F87 Y105E59-A103 CarbonylContact C-O 3.6Å; E59-A103 WeakPolarHBondContact CA-O 3.5Å; V60-A103 HydrophobicContact CG2-CB 3.83Å; V60-A103 WeakPolarHBondContact CG2-O 3.36Å; V60-A103 PolarHBondContact N-O 2.88Å; V60-A103 PolarHBondContact O-N 3.27Å; V60-A103 VanDerWaalsContact O-N 3.07Å; I62-A103 HydrophobicContact CD1-CB 3.86Å; F78-A103 HydrophobicContact CD1-CB 3.9Å; F78-A103 HydrophobicContact CE1-CB 4.43Å; L84-A103 HydrophobicContact CD2-CB 3.99Å; F87-A103 HydrophobicContact CD2-CB 3.74Å; F87-A103 HydrophobicContact CE2-CB 4.11Å; A103-Y105 HydrophobicContact CB-CE2 4.34Å
104R93.7Very high91Very high18 Ų1843.3 Ų43.37%0.06821%0.212CC..EExtended strand (participates in β ladder)trans-99.3120.1172.8-167.7170.7-170.1155.63109.3P54 S58 E59 Y85 E86P54-R104 HydrophobicContact CG-CG 4.47Å; P54-R104 PolarHBondContact O-NH2 2.94Å; S58-R104 WeakPolarHBondContact O-CA 3.19Å; E59-R104 HydrophobicContact CB-CB 4.36Å; E59-R104 HydrophobicContact CB-CG 4.34Å; E59-R104 HydrophobicContact CG-CB 4.34Å; Y85-R104 WeakPolarHBondContact CB-O 3.27Å; Y85-R104 HydrophobicContact CD1-CG 4.43Å; Y85-R104 PolarHBondContact N-O 2.83Å; E86-R104 HydrophobicContact CB-CB 4.17Å; E86-R104 PolarHBondContact N-O 3.06Å; E86-R104 PolarHBondContact O-N 3.26Å
105Y94.9Very high92.2Very high0 Ų044.4 Ų44.40%022%0.216CC..EExtended strand (participates in β ladder)trans-87.1163.1175.4-74.4-87.8000111.5P54 S58 V60 F78 G82 L84 A103 S107 A111 A114P54-Y105 WeakPolarHBondContact CB-O 3.48Å; P54-Y105 WeakPolarHBondContact CG-O 3.25Å; S58-Y105 WeakPolarHBondContact CB-O 3.38Å; S58-Y105 PolarHBondContact O-N 3.21Å; V60-Y105 HydrophobicContact CG2-CE2 4.07Å; F78-Y105 HydrophobicContact CD1-CE2 4.43Å; F78-Y105 VanDerWaalsContact CD1-OH 3.28Å; F78-Y105 WeakPolarHBondContact CD1-OH 3.39Å; F78-Y105 PolarHBondContact O-OH 3.34Å; F78-Y105 VanDerWaalsContact O-OH 3.07Å; G82-Y105 WeakPolarHBondContact O-CE1 3.33Å; L84-Y105 HydrophobicContact CD2-CD1 3.85Å; L84-Y105 HydrophobicContact CD2-CD2 4.28Å; L84-Y105 HydrophobicContact CD2-CE1 3.57Å; L84-Y105 HydrophobicContact CD2-CE2 4.04Å; L84-Y105 HydrophobicContact CD2-CG 4.21Å; L84-Y105 HydrophobicContact CG-CE1 4.4Å; A103-Y105 HydrophobicContact CB-CE2 4.34Å; Y105-S107 PolarHBondContact O-N 2.96Å; Y105-A111 HydrophobicContact CD2-CB 4.18Å; Y105-A114 HydrophobicContact CD2-CB 4.35Å; Y105-A114 HydrophobicContact CE2-CB 3.37Å; Y105-A114 VanDerWaalsContact CZ-CB 3.47Å; Y105-A114 WeakPolarHBondContact OH-CB 3.37Å
106S92.6Very high93.3Very high40 Ų4047.5 Ų47.528%0.2824%0.239SC..SBendtrans-57-26.917051.40000114.1R83R83-S106 PolarHBondContact O-N 2.84Å; R83-S106 PolarHBondContact O-OG 2.99Å
107S92.7Very high94Very high45 Ų4551.3 Ų51.332%0.31526%0.263SS..SBendtrans-148.1160.2-176.868.40000112.8S58 Y105 R109 G110 A111S58-S107 VanDerWaalsContact OG-C 3.32Å; Y105-S107 PolarHBondContact O-N 2.96Å; S107-R109 VanDerWaalsContact C-N 3.27Å; S107-R109 PolarHBondContact O-N 3.25Å; S107-G110 PolarHBondContact O-N 2.67Å; S107-G110 PolarHBondContact OG-N 3.48Å; S107-A111 PolarHBondContact O-N 3.11Å
108R92.3Very high94.3Very high137 Ų13751.6 Ų51.652%0.51726%0.264SS..Hα-helixtrans-59.3-38.1173-71.8-170.5-105.5-122.69.1112.4P55 A56 S58 G110 A111 Q112P55-R108 HydrophobicContact CG-CG 4.4Å; A56-R108 WeakPolarHBondContact O-CD 3.34Å; A56-R108 PolarHBondContact O-NH1 2.91Å; S58-R108 PolarHBondContact OG-N 3.36Å; R108-G110 VanDerWaalsContact C-N 3.32Å; R108-G110 PolarHBondContact O-N 2.68Å; R108-A111 WeakPolarHBondContact O-CB 3.34Å; R108-A111 PolarHBondContact O-N 2.92Å; R108-Q112 WeakPolarHBondContact O-CG 3.42Å; R108-Q112 PolarHBondContact O-N 2.89Å
109R94.5Very high94.6Very high208 Ų20850 Ų5079%0.78526%0.261SS*.Hα-helixtrans-61.5-41.8176.4-174.7179.6173.8-172.1-1.6111.2S107 A111 Q112 A113S107-R109 VanDerWaalsContact C-N 3.27Å; S107-R109 PolarHBondContact O-N 3.25Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 2.79Å; R109-Q112 PolarHBondContact O-N 2.84Å; R109-A113 WeakPolarHBondContact O-CB 3.35Å; R109-A113 PolarHBondContact O-N 3.42Å
110G95.1Very high94.8Very high9 Ų953.3 Ų53.39%0.09328%0.275CS..Hα-helixtrans-60.4-42.8174.900000112.6S107 R108 A113 A114S107-G110 PolarHBondContact O-N 2.67Å; S107-G110 PolarHBondContact OG-N 3.48Å; R108-G110 VanDerWaalsContact C-N 3.32Å; R108-G110 PolarHBondContact O-N 2.68Å; G110-A113 PolarHBondContact O-N 3.35Å; G110-A114 WeakPolarHBondContact O-CB 3.4Å; G110-A114 PolarHBondContact O-N 3.26Å
111A94.9Very high94.7Very high3 Ų353.5 Ų53.53%0.02528%0.276CS..Hα-helixtrans-63.6-42.7175.700000112.7V60 Y105 S107 R108 R109 A114 I115V60-A111 HydrophobicContact CG1-CB 3.78Å; V60-A111 WeakPolarHBondContact CG1-O 3.45Å; Y105-A111 HydrophobicContact CD2-CB 4.18Å; S107-A111 PolarHBondContact O-N 3.11Å; R108-A111 WeakPolarHBondContact O-CB 3.34Å; R108-A111 PolarHBondContact O-N 2.92Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 2.79Å; A111-A114 WeakPolarHBondContact O-CB 3.32Å; A111-A114 PolarHBondContact O-N 3.05Å; A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 3.5Å; A111-I115 VanDerWaalsContact O-N 3.08Å
112Q95.7Very high94.2Very high132 Ų13257.8 Ų57.862%0.61730%0.304SS*.Hα-helixtrans-64.2-43.5175.8-72.6173.1-23.300112.1R108 R109 A114 I115 A116R108-Q112 WeakPolarHBondContact O-CG 3.42Å; R108-Q112 PolarHBondContact O-N 2.89Å; R109-Q112 PolarHBondContact O-N 2.84Å; Q112-A114 VanDerWaalsContact C-N 3.27Å; Q112-A114 PolarHBondContact O-N 2.93Å; Q112-I115 PolarHBondContact O-N 3.33Å; Q112-A116 PolarHBondContact O-N 2.86Å
113A96.8Very high93.6Very high36 Ų3657.3 Ų57.330%0.29830%0.304SS..Hα-helixtrans-60.4-39.4175.600000111.5V81 R109 G110 A116 T117V81-A113 HydrophobicContact CG1-CB 3.71Å; R109-A113 WeakPolarHBondContact O-CB 3.35Å; R109-A113 PolarHBondContact O-N 3.42Å; G110-A113 PolarHBondContact O-N 3.35Å; A113-A116 PolarHBondContact O-N 3Å; A113-T117 VanDerWaalsContact O-CB 3.28Å; A113-T117 WeakPolarHBondContact O-CB 3.34Å; A113-T117 PolarHBondContact O-N 3.3Å; A113-T117 PolarHBondContact O-OG1 2.99Å
114A97Very high92.8Very high0 Ų061.8 Ų61.80%032%0.321CS..Hα-helixtrans-64-40.9176.300000112.4V60 V81 Y105 G110 A111 Q112 L118V60-A114 HydrophobicContact CG1-CB 4.41Å; V81-A114 HydrophobicContact CG1-CB 4.18Å; Y105-A114 HydrophobicContact CD2-CB 4.35Å; Y105-A114 HydrophobicContact CE2-CB 3.37Å; Y105-A114 VanDerWaalsContact CZ-CB 3.47Å; Y105-A114 WeakPolarHBondContact OH-CB 3.37Å; G110-A114 WeakPolarHBondContact O-CB 3.4Å; G110-A114 PolarHBondContact O-N 3.26Å; A111-A114 WeakPolarHBondContact O-CB 3.32Å; A111-A114 PolarHBondContact O-N 3.05Å; Q112-A114 VanDerWaalsContact C-N 3.27Å; Q112-A114 PolarHBondContact O-N 2.93Å; A114-L118 WeakPolarHBondContact O-CA 3.36Å; A114-L118 VanDerWaalsContact O-CB 3.27Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 PolarHBondContact O-N 2.93Å
115I96.6Very high91.7Very high49 Ų4966.5 Ų66.525%0.25135%0.354SS..Hα-helixtrans-63-48.3173.9-64.3163.8000110V60 A111 Q112 T117 H119 V131 R133V60-I115 HydrophobicContact CG1-CD1 4.05Å; V60-I115 HydrophobicContact CG1-CG1 3.79Å; A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 3.5Å; A111-I115 VanDerWaalsContact O-N 3.08Å; Q112-I115 PolarHBondContact O-N 3.33Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 3.17Å; I115-H119 WeakPolarHBondContact O-CB 3.42Å; I115-H119 PolarHBondContact O-N 3.38Å; I115-V131 HydrophobicContact CG1-CG1 4.11Å; I115-R133 HydrophobicContact CD1-CB 4.2Å
116A96.2Very high90.7Very high87 Ų8772.3 Ų72.372%0.71939%0.394SS*.Hα-helixtrans-63.3-35.9-178.200000113.1Q112 A113Q112-A116 PolarHBondContact O-N 2.86Å; A113-A116 PolarHBondContact O-N 3Å
117T95.6Very high90.2Very high88 Ų8872.6 Ų72.654%0.5440%0.396SS..Hα-helixtrans-93.4-39.5-171.9-48.40000113V81 A113 I115V81-T117 HydrophobicContact CG2-CG2 4.25Å; A113-T117 VanDerWaalsContact O-CB 3.28Å; A113-T117 WeakPolarHBondContact O-CB 3.34Å; A113-T117 PolarHBondContact O-N 3.3Å; A113-T117 PolarHBondContact O-OG1 2.99Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 3.17Å
118L95.9Very high90Very high6 Ų672.4 Ų72.43%0.03139%0.394CS..Hα-helixtrans-103.2-8.7-170.2-58.9175000113.3L77 F78 V81 A114 N120 H121 V131L77-L118 HydrophobicContact CD1-CD2 3.88Å; L77-L118 HydrophobicContact CD2-CD2 4.49Å; L77-L118 HydrophobicContact CG-CD2 4Å; F78-L118 HydrophobicContact CB-CD1 4.46Å; F78-L118 HydrophobicContact CD1-CD1 3.65Å; F78-L118 HydrophobicContact CD2-CD1 3.97Å; F78-L118 HydrophobicContact CE1-CD1 3.67Å; F78-L118 HydrophobicContact CE2-CD1 4.04Å; F78-L118 HydrophobicContact CG-CD1 3.78Å; F78-L118 HydrophobicContact CZ-CD1 3.86Å; V81-L118 HydrophobicContact CG2-CD1 3.72Å; V81-L118 HydrophobicContact CG2-CD2 4.18Å; V81-L118 HydrophobicContact CG2-CG 3.82Å; A114-L118 WeakPolarHBondContact O-CA 3.36Å; A114-L118 VanDerWaalsContact O-CB 3.27Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 PolarHBondContact O-N 2.93Å; L118-N120 PolarHBondContact O-N 2.76Å; L118-H121 HydrophobicContact CD2-CB 4.47Å; L118-H121 VanDerWaalsContact O-CB 3.24Å; L118-H121 WeakPolarHBondContact O-CB 3.4Å; L118-H121 PolarHBondContact O-N 3.25Å; L118-H121 VanDerWaalsContact O-N 3.11Å; L118-V131 HydrophobicContact CB-CG2 3.89Å; L118-V131 WeakPolarHBondContact O-CG2 3.41Å
119H94.1Very high90.1Very high78 Ų7865.9 Ų65.936%0.36137%0.369SS..THydrogen-bonded Turntrans-64.6130.1170.4-17585.8000109.9I115 H121 L130 V131I115-H119 WeakPolarHBondContact O-CB 3.42Å; I115-H119 PolarHBondContact O-N 3.38Å; H119-H121 PolarHBondContact O-N 3.07Å; H119-L130 VanDerWaalsContact CE1-CD1 3.48Å; H119-L130 WeakPolarHBondContact CE1-CD1 3.38Å; H119-V131 HydrophobicContact CB-CB 4.31Å; H119-V131 PolarHBondContact ND1-N 3.04Å; H119-V131 PolarHBondContact ND1-O 3.47Å
120N92.8Very high90Very high86 Ų8658.6 Ų58.646%0.4635%0.345SS..THydrogen-bonded Turntrans61.814.4-171.2-61-38.5000115.8R64 L118 P128 L129R64-N120 PolarHBondContact NH2-OD1 2.86Å; L118-N120 PolarHBondContact O-N 2.76Å; N120-P128 HydrophobicContact CB-CB 4.38Å; N120-L129 WeakPolarHBondContact CA-O 3.28Å; N120-L129 PolarHBondContact N-O 3.41Å
121H91.3Very high90.1Very high60 Ų6058.1 Ų58.128%0.27834%0.341SS..  trans-61.7126.3173179.2-83000110.3L118 H119 L123 P128 L129L118-H121 HydrophobicContact CD2-CB 4.47Å; L118-H121 VanDerWaalsContact O-CB 3.24Å; L118-H121 WeakPolarHBondContact O-CB 3.4Å; L118-H121 PolarHBondContact O-N 3.25Å; L118-H121 VanDerWaalsContact O-N 3.11Å; H119-H121 PolarHBondContact O-N 3.07Å; H121-L123 PolarHBondContact O-N 3.24Å; H121-L123 VanDerWaalsContact O-N 3.1Å; H121-P128 WeakPolarHBondContact O-CA 3.49Å; H121-L129 PolarHBondContact O-N 3.47Å
122P86.5Confident90Very high89 Ų8960.2 Ų60.258%0.57835%0.354SS*.EExtended strand (participates in β ladder)trans-75.5101.4-179.730.1-32.5000109.5
123L81.8Confident89.7Confident32 Ų3262.5 Ų62.517%0.16836%0.358CS..EExtended strand (participates in β ladder)trans-75.2-34.5173.7-170.867.4000111.2L65 V69 L74 L77 H121 C127 L129L65-L123 HydrophobicContact CD2-CD2 4.37Å; V69-L123 HydrophobicContact CB-CD2 4.23Å; V69-L123 HydrophobicContact CG1-CD2 3.74Å; V69-L123 HydrophobicContact CG2-CD2 3.71Å; L74-L123 HydrophobicContact CD2-CD2 4.06Å; L77-L123 HydrophobicContact CD2-CD1 4.22Å; H121-L123 PolarHBondContact O-N 3.24Å; H121-L123 VanDerWaalsContact O-N 3.1Å; L123-C127 PolarHBondContact N-O 3.3Å; L123-L129 HydrophobicContact CB-CD2 4Å; L123-L129 HydrophobicContact CB-CG 4.12Å; L123-L129 HydrophobicContact CD2-CD2 4.03Å
124R78.3Confident89.2Confident95 Ų9561 Ų6136%0.35835%0.345SS..EExtended strand (participates in β ladder)trans-135.7160.3167.7-101.4-175.2-74.1-161.3-24.6109.3D68 S126 C127D68-R124 IonicContact OD1-CZ 2.64Å; D68-R124 IonicContact OD1-NH1 3.52Å; D68-R124 IonicContact OD1-NH2 2.68Å; D68-R124 PolarHBondContact OD1-NH2 3.42Å; D68-R124 IonicContact OD2-CZ 2.77Å; D68-R124 VanDerWaalsContact OD2-CZ 3.29Å; D68-R124 IonicContact OD2-NH1 2.8Å; D68-R124 PolarHBondContact OD2-NH1 2.64Å; D68-R124 IonicContact OD2-NH2 2.67Å; D68-R124 PolarHBondContact OD2-NH2 3.47Å; R124-S126 PolarHBondContact O-N 3.43Å; R124-C127 HydrophobicContact CB-CB 4.15Å; R124-C127 PolarHBondContact O-N 3.43Å
125P70Confident88.3Confident116 Ų11666.4 Ų66.475%0.75338%0.378SS*.THydrogen-bonded Turntrans-48.1132.4166.2-22.532.9000108.9C127P125-C127 PolarHBondContact O-N 2.89Å; P125-C127 VanDerWaalsContact O-N 3.14Å
126S73.8Confident87.1Confident122 Ų12266.2 Ų66.285%0.85338%0.376SS*.THydrogen-bonded Turntrans62.25-177.574.40000118.7R124 P128R124-S126 PolarHBondContact O-N 3.43Å; S126-P128 VanDerWaalsContact O-CD 3.32Å; S126-P128 WeakPolarHBondContact O-CD 3.21Å
127C81.4Confident86.5Confident47 Ų4767.7 Ų67.732%0.31837%0.366SS..EExtended strand (participates in β ladder)trans-121.177.2178.5-66.50000112.4P66 L123 R124 P125P66-C127 HydrophobicContact CG-CB 4.29Å; L123-C127 PolarHBondContact N-O 3.3Å; R124-C127 HydrophobicContact CB-CB 4.15Å; R124-C127 PolarHBondContact O-N 3.43Å; P125-C127 PolarHBondContact O-N 2.89Å; P125-C127 VanDerWaalsContact O-N 3.14Å
128P90Very high86.2Confident41 Ų4164.4 Ų64.427%0.26635%0.346SS..EExtended strand (participates in β ladder)trans-76136.5178.330.1-33.6000111.9R64 N120 H121 S126R64-P128 VanDerWaalsContact CZ-O 3.31Å; R64-P128 PolarHBondContact NE-O 3.38Å; R64-P128 PolarHBondContact NH2-O 3.13Å; N120-P128 HydrophobicContact CB-CB 4.38Å; H121-P128 WeakPolarHBondContact O-CA 3.49Å; S126-P128 VanDerWaalsContact O-CD 3.32Å; S126-P128 WeakPolarHBondContact O-CD 3.21Å
129L93.5Very high86Confident0 Ų066.6 Ų66.60%036%0.357CS..  trans-63.3142.4175.6-63.3-176.9000111.2R64 L65 L77 F78 N120 H121 L123 V131R64-L129 PolarHBondContact NH2-O 2.97Å; R64-L129 VanDerWaalsContact NH2-O 3.08Å; L65-L129 HydrophobicContact CD2-CD2 3.47Å; L65-L129 VanDerWaalsContact CD2-CD2 3.47Å; L65-L129 HydrophobicContact CG-CD2 4.46Å; L77-L129 HydrophobicContact CD2-CD1 3.91Å; F78-L129 HydrophobicContact CE2-CD1 4.32Å; N120-L129 WeakPolarHBondContact CA-O 3.28Å; N120-L129 PolarHBondContact N-O 3.41Å; H121-L129 PolarHBondContact O-N 3.47Å; L123-L129 HydrophobicContact CB-CD2 4Å; L123-L129 HydrophobicContact CB-CG 4.12Å; L123-L129 HydrophobicContact CD2-CD2 4.03Å; L129-V131 HydrophobicContact CB-CG2 4.24Å
130L93.7Very high85.9Confident54 Ų5462.9 Ų62.928%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-96.6111.3162.1170.461000107.6F61 I62 G63 R64 H119F61-L130 HydrophobicContact CE1-CD2 4.23Å; I62-L130 CarbonylContact C-O 3.58Å; I62-L130 VanDerWaalsContact CA-O 3.3Å; I62-L130 WeakPolarHBondContact CA-O 3.34Å; G63-L130 PolarHBondContact N-O 2.96Å; G63-L130 PolarHBondContact O-N 3.23Å; R64-L130 HydrophobicContact CB-CB 4.44Å; R64-L130 HydrophobicContact CG-CB 4.05Å; H119-L130 VanDerWaalsContact CE1-CD1 3.48Å; H119-L130 WeakPolarHBondContact CE1-CD1 3.38Å
131V95.3Very high85.9Confident0 Ų059 Ų590%032%0.319CS..EExtended strand (participates in β ladder)trans-114124.2171.5-172.40000108.6V60 F61 F78 I115 L118 H119 L129V60-V131 HydrophobicContact CB-CG1 4.09Å; V60-V131 HydrophobicContact CG2-CG1 4.13Å; F61-V131 WeakPolarHBondContact O-CA 3.39Å; F78-V131 HydrophobicContact CE1-CG1 4.35Å; F78-V131 HydrophobicContact CE1-CG2 4.33Å; F78-V131 HydrophobicContact CZ-CG2 3.96Å; I115-V131 HydrophobicContact CG1-CG1 4.11Å; L118-V131 HydrophobicContact CB-CG2 3.89Å; L118-V131 WeakPolarHBondContact O-CG2 3.41Å; H119-V131 HydrophobicContact CB-CB 4.31Å; H119-V131 PolarHBondContact ND1-N 3.04Å; H119-V131 PolarHBondContact ND1-O 3.47Å; L129-V131 HydrophobicContact CB-CG2 4.24Å
132C92.9Very high86Confident46 Ų4656.2 Ų56.231%0.31131%0.306SS..EExtended strand (participates in β ladder)trans-147.9173.3178.868.30000111.4V60 F61 S134V60-C132 CarbonylContact C-O 3.5Å; V60-C132 WeakPolarHBondContact CA-O 3.38Å; F61-C132 PolarHBondContact N-O 2.81Å; F61-C132 PolarHBondContact O-N 3.13Å; C132-S134 PolarHBondContact O-N 2.86Å
133R89.6Confident86.2Confident181 Ų18154.1 Ų54.168%0.68329%0.29SS*.EExtended strand (participates in β ladder)trans-63.5130.6179.8-167.5170.573.997.3-4.2110.3I115 T135I115-R133 HydrophobicContact CD1-CB 4.2Å; R133-T135 PolarHBondContact O-N 3.14Å
134S86.8Confident86.5Confident4 Ų454.4 Ų54.43%0.02830%0.3CS..  trans-64.3135.9175.3-171.20000110.4E59 C132 E136E59-S134 VanDerWaalsContact O-CB 3.25Å; E59-S134 WeakPolarHBondContact O-CB 3.4Å; E59-S134 PolarHBondContact O-N 3.09Å; E59-S134 VanDerWaalsContact O-N 3.14Å; E59-S134 WeakPolarHBondContact OE1-CB 3.28Å; E59-S134 PolarHBondContact OE1-OG 3.12Å; C132-S134 PolarHBondContact O-N 2.86Å; S134-E136 PolarHBondContact O-N 3.2Å
135T78.6Confident87.1Confident113 Ų11350 Ų5069%0.69328%0.284SS*.  trans-86.484.7172.249.10000108.7R133 K137R133-T135 PolarHBondContact O-N 3.14Å; T135-K137 PolarHBondContact O-N 2.77Å
136E72.2Confident87.9Confident46 Ų4646 Ų4622%0.21526%0.258CS..  trans-71.696.9-178.7-60.3-178.5152.900110.4G57 S134 C138G57-E136 PolarHBondContact N-OE1 3.24Å; G57-E136 PolarHBondContact N-OE2 2.64Å; S134-E136 PolarHBondContact O-N 3.2Å; E136-C138 VanDerWaalsContact C-N 3.31Å; E136-C138 PolarHBondContact O-N 3.48Å
137K83.6Confident88.5Confident117 Ų11745.6 Ų45.651%0.50925%0.246SC..  trans-75.786.1170-58.1178.6-177.8177.80108.5T135 H189 W215T135-K137 PolarHBondContact O-N 2.77Å; K137-H189 PolarHBondContact O-ND1 3.17Å; K137-W215 HydrophobicContact CB-CD2 4.29Å; K137-W215 HydrophobicContact CB-CE3 3.77Å; K137-W215 HydrophobicContact CB-CH2 4.49Å; K137-W215 HydrophobicContact CB-CZ3 3.9Å; K137-W215 HydrophobicContact CD-CD2 4.37Å; K137-W215 HydrophobicContact CD-CG 4.46Å; K137-W215 WeakPolarHBondContact O-CZ3 3.37Å
138C87.9Confident88.8Confident19 Ų1949.8 Ų49.813%0.12827%0.265CS..  trans-99.50.3-176-67.70000113.9E136 F186 H189E136-C138 VanDerWaalsContact C-N 3.31Å; E136-C138 PolarHBondContact O-N 3.48Å; C138-F186 PolarHBondContact O-N 3.26Å; C138-H189 PolarHBondContact SG-N 3.07Å
139E91.4Very high88.7Confident53 Ų5348.6 Ų48.625%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-119.6133.3-173-66.4172.816300110.8L184 K185 L216 K221E139-L184 CarbonylContact C-O 3.53Å; E139-L184 VanDerWaalsContact CA-O 3.24Å; E139-L184 WeakPolarHBondContact CA-O 3.49Å; E139-K185 HydrophobicContact CG-CB 4.34Å; E139-K185 HydrophobicContact CG-CG 4.17Å; E139-L216 HydrophobicContact CB-CB 3.76Å; E139-L216 HydrophobicContact CB-CD2 3.88Å; E139-L216 HydrophobicContact CB-CG 4.44Å; E139-L216 PolarHBondContact O-N 3.49Å; E139-K221 IonicContact OE1-NZ 3.32Å; E139-K221 PolarHBondContact OE1-NZ 3.14Å; E139-K221 WeakPolarHBondContact OE2-CE 3.41Å; E139-K221 IonicContact OE2-NZ 2.79Å; E139-K221 PolarHBondContact OE2-NZ 2.91Å
140L93.1Very high88.5Confident0 Ų052.3 Ų52.30%028%0.279CS..EExtended strand (participates in β ladder)trans-116.9150.5174.2-60.1179.3000110.3L184 F186 A192 A195 K196 V213 E214 W215L140-L184 HydrophobicContact CB-CB 4.36Å; L140-L184 PolarHBondContact N-O 3.29Å; L140-L184 PolarHBondContact O-N 3.48Å; L140-F186 HydrophobicContact CB-CE2 4.38Å; L140-F186 HydrophobicContact CD1-CE2 3.71Å; L140-F186 HydrophobicContact CD1-CZ 4.23Å; L140-F186 HydrophobicContact CG-CD2 4.49Å; L140-F186 HydrophobicContact CG-CE2 3.97Å; L140-A192 HydrophobicContact CG-CB 4.49Å; L140-A195 HydrophobicContact CD1-CB 4.27Å; L140-K196 HydrophobicContact CD1-CB 3.81Å; L140-K196 HydrophobicContact CD2-CB 3.93Å; L140-K196 HydrophobicContact CD2-CD 4.13Å; L140-K196 HydrophobicContact CD2-CG 4.27Å; L140-V213 HydrophobicContact CD1-CG1 4.37Å; L140-E214 WeakPolarHBondContact CA-O 3.39Å; L140-W215 HydrophobicContact CD2-CD2 3.92Å; L140-W215 HydrophobicContact CD2-CE3 3.32Å; L140-W215 HydrophobicContact CD2-CH2 4.28Å; L140-W215 HydrophobicContact CD2-CZ3 3.52Å; L140-W215 HydrophobicContact CG-CZ3 4.48Å
141S93.4Very high88.3Confident5 Ų556.2 Ų56.24%0.03529%0.29CS..EExtended strand (participates in β ladder)trans-111.4132.1164.150.70000109.2A182 V213 E214S141-A182 WeakPolarHBondContact CA-O 3.47Å; S141-V213 WeakPolarHBondContact O-CA 3.27Å; S141-E214 PolarHBondContact N-O 2.78Å; S141-E214 PolarHBondContact O-N 2.71Å
142V92.5Very high88Confident0 Ų060.3 Ų60.30%032%0.319CS..EExtended strand (participates in β ladder)trans-118.6106.2174.4-176.60000107.4L145 I181 A182 L184 L199 L206 V211 A212 V213V142-L145 HydrophobicContact CG1-CD1 4.46Å; V142-L145 HydrophobicContact CG1-CD2 4.26Å; V142-L145 HydrophobicContact CG1-CG 4.47Å; V142-I181 CarbonylContact O-C 3.52Å; V142-I181 WeakPolarHBondContact O-CA 3.44Å; V142-I181 WeakPolarHBondContact O-CG1 3.45Å; V142-A182 HydrophobicContact CB-CB 4.26Å; V142-A182 PolarHBondContact N-O 3.4Å; V142-A182 PolarHBondContact O-N 3.21Å; V142-L184 HydrophobicContact CG2-CD1 3.75Å; V142-L184 HydrophobicContact CG2-CG 4.33Å; V142-L199 HydrophobicContact CG2-CD1 4.2Å; V142-L206 HydrophobicContact CG1-CD2 4.18Å; V142-V211 HydrophobicContact CG1-CB 3.72Å; V142-V211 HydrophobicContact CG1-CG1 3.98Å; V142-V211 HydrophobicContact CG1-CG2 3.99Å; V142-A212 WeakPolarHBondContact CA-O 3.33Å; V142-V213 HydrophobicContact CG1-CG2 4.19Å; V142-V213 HydrophobicContact CG2-CG1 4.29Å; V142-V213 HydrophobicContact CG2-CG2 4.2Å
143D90.9Very high87.8Confident46 Ų4659.9 Ų59.925%0.24632%0.319CS..EExtended strand (participates in β ladder)trans-102.9164.2-178.5-153.9-7.4000110.9S173 I181 V211 A212D143-S173 WeakPolarHBondContact OD1-CB 3.44Å; D143-S173 PolarHBondContact OD1-OG 2.67Å; D143-S173 PolarHBondContact OD2-OG 2.99Å; D143-I181 HydrophobicContact CB-CD1 4.07Å; D143-I181 HydrophobicContact CB-CG1 4.02Å; D143-V211 CarbonylContact O-C 3.59Å; D143-V211 VanDerWaalsContact O-CA 3.3Å; D143-V211 WeakPolarHBondContact O-CA 2.98Å; D143-V211 WeakPolarHBondContact O-CB 3.4Å; D143-A212 HydrophobicContact CB-CB 4.37Å; D143-A212 PolarHBondContact N-O 3.34Å; D143-A212 PolarHBondContact O-N 2.89Å
144G87.4Confident87.8Confident37 Ų3751.3 Ų51.338%0.38129%0.286SS..EExtended strand (participates in β ladder)trans84.526.6-177.100000114
145L90.6Very high87.9Confident3 Ų354 Ų542%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-87.4150.3177.4-60.4170000111.2V142 L149 L154 L170 Q180 A182 L206 V211V142-L145 HydrophobicContact CG1-CD1 4.46Å; V142-L145 HydrophobicContact CG1-CD2 4.26Å; V142-L145 HydrophobicContact CG1-CG 4.47Å; L145-L149 HydrophobicContact CB-CD2 4Å; L145-L149 HydrophobicContact CD1-CD2 4.08Å; L145-L149 HydrophobicContact CD2-CD2 3.99Å; L145-L149 HydrophobicContact CG-CD2 4.25Å; L145-L154 HydrophobicContact CD1-CD1 4.37Å; L145-L170 HydrophobicContact CD1-CD2 3.71Å; L145-Q180 HydrophobicContact CB-CB 3.94Å; L145-Q180 WeakPolarHBondContact CB-O 3.23Å; L145-Q180 PolarHBondContact N-O 3.4Å; L145-Q180 PolarHBondContact O-N 2.76Å; L145-A182 HydrophobicContact CD1-CB 3.46Å; L145-A182 VanDerWaalsContact CD1-CB 3.46Å; L145-L206 HydrophobicContact CD2-CB 4.37Å; L145-L206 HydrophobicContact CD2-CD2 3.99Å; L145-V211 HydrophobicContact CD2-CG1 3.61Å; L145-V211 HydrophobicContact CG-CG1 4.42Å
146P88.4Confident88.3Confident33 Ų3354.3 Ų54.321%0.21430%0.297CS..  trans-73.6149.6-177.127-28.8000112.1N148 L149 Q180 E209P146-N148 VanDerWaalsContact C-N 3.26Å; P146-N148 PolarHBondContact O-N 2.9Å; P146-L149 HydrophobicContact CG-CB 4.07Å; P146-L149 VanDerWaalsContact O-CB 3.25Å; P146-L149 WeakPolarHBondContact O-CB 3.39Å; P146-L149 PolarHBondContact O-N 2.86Å; P146-L149 VanDerWaalsContact O-N 3.08Å; P146-Q180 PolarHBondContact O-OE1 2.95Å; P146-E209 HydrophobicContact CB-CG 4.43Å; P146-E209 HydrophobicContact CG-CG 4.08Å
147L86.3Confident89Confident112 Ų11253.6 Ų53.659%0.58630%0.299SS*.THydrogen-bonded Turntrans-63.5-27.3-174.5-72.4172000114.6L149 P178 Q180L147-L149 VanDerWaalsContact C-N 3.33Å; L147-P178 HydrophobicContact CD1-CB 4.3Å; L147-Q180 HydrophobicContact CD2-CG 4.43Å; L147-Q180 PolarHBondContact O-NE2 3.17Å
148N86.3Confident89.1Confident135 Ų13548.4 Ų48.472%0.72228%0.277SS*.THydrogen-bonded Turntrans-89.32.8178.865.4-19000112.8P146 T150P146-N148 VanDerWaalsContact C-N 3.26Å; P146-N148 PolarHBondContact O-N 2.9Å; N148-T150 PolarHBondContact O-N 3.48Å
149L88.5Confident89Confident17 Ų1754.3 Ų54.39%0.08930%0.302CS..  trans-65.5126-179.7-172.865.8000110L145 P146 L147 A153 L154 L170 Q180 C207L145-L149 HydrophobicContact CB-CD2 4Å; L145-L149 HydrophobicContact CD1-CD2 4.08Å; L145-L149 HydrophobicContact CD2-CD2 3.99Å; L145-L149 HydrophobicContact CG-CD2 4.25Å; P146-L149 HydrophobicContact CG-CB 4.07Å; P146-L149 VanDerWaalsContact O-CB 3.25Å; P146-L149 WeakPolarHBondContact O-CB 3.39Å; P146-L149 PolarHBondContact O-N 2.86Å; P146-L149 VanDerWaalsContact O-N 3.08Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L149-A153 HydrophobicContact CD1-CB 3.81Å; L149-L154 HydrophobicContact CD2-CB 4.17Å; L149-L154 HydrophobicContact CD2-CD1 4.19Å; L149-L154 HydrophobicContact CG-CB 4.45Å; L149-L170 HydrophobicContact CD2-CD1 4.45Å; L149-L170 HydrophobicContact CD2-CD2 4.17Å; L149-L170 HydrophobicContact CG-CD1 4.3Å; L149-Q180 PolarHBondContact O-OE1 3.03Å; L149-C207 HydrophobicContact CD1-CB 4.14Å; L149-C207 VanDerWaalsContact CD1-SG 3.54Å
150T90.1Very high88.6Confident78 Ų7857.1 Ų57.148%0.47933%0.326SS..  trans-90.9153.817567.10000110.5N148 S152 A153 L154N148-T150 PolarHBondContact O-N 3.48Å; T150-S152 PolarHBondContact O-N 3.46Å; T150-A153 PolarHBondContact O-N 3.41Å; T150-A153 WeakPolarHBondContact OG1-CB 3.36Å; T150-A153 PolarHBondContact OG1-N 2.83Å; T150-L154 PolarHBondContact O-N 2.96Å
151R89Confident87.9Confident136 Ų13658.7 Ų58.751%0.51333%0.334SS..Hα-helixtrans-57.2-37.4176-174177.9-176.4-983.6112.1L154 L155 A168 L170R151-L154 PolarHBondContact O-N 3.23Å; R151-L155 HydrophobicContact CG-CD1 4.34Å; R151-L155 VanDerWaalsContact O-CG 3.32Å; R151-L155 WeakPolarHBondContact O-CG 3.35Å; R151-L155 PolarHBondContact O-N 3.33Å; R151-A168 PolarHBondContact NE-O 2.98Å; R151-L170 HydrophobicContact CB-CD1 4.45Å
152S89.3Confident87Confident85 Ų8560.2 Ų60.259%0.59435%0.35SS*.Hα-helixtrans-64.8-45.7178.6-49.80000111.7T150 L154 L155 L156T150-S152 PolarHBondContact O-N 3.46Å; S152-L154 PolarHBondContact O-N 2.98Å; S152-L155 PolarHBondContact O-N 3.48Å; S152-L156 WeakPolarHBondContact O-CG 3.46Å; S152-L156 PolarHBondContact O-N 3.48Å; S152-L156 VanDerWaalsContact O-N 3.07Å
153A87.8Confident86.2Confident38 Ų3866.5 Ų66.531%0.31439%0.391SS..Hα-helixtrans-62.8-41.6175.900000111.9L149 T150 L155 L156 A157L149-A153 HydrophobicContact CD1-CB 3.81Å; T150-A153 PolarHBondContact O-N 3.41Å; T150-A153 WeakPolarHBondContact OG1-CB 3.36Å; T150-A153 PolarHBondContact OG1-N 2.83Å; A153-L155 PolarHBondContact O-N 3.29Å; A153-L156 PolarHBondContact O-N 2.99Å; A153-A157 PolarHBondContact O-N 2.91Å
154L89.3Confident85.9Confident0 Ų065.3 Ų65.30%039%0.389CS..Hα-helixtrans-57.9-47.6173.5176.169000111.5L145 L149 T150 R151 S152 L156 A157 L158 A168 L170 A182 L206L145-L154 HydrophobicContact CD1-CD1 4.37Å; L149-L154 HydrophobicContact CD2-CB 4.17Å; L149-L154 HydrophobicContact CD2-CD1 4.19Å; L149-L154 HydrophobicContact CG-CB 4.45Å; T150-L154 PolarHBondContact O-N 2.96Å; R151-L154 PolarHBondContact O-N 3.23Å; S152-L154 PolarHBondContact O-N 2.98Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.37Å; L154-A157 PolarHBondContact O-N 2.68Å; L154-L158 HydrophobicContact CD1-CD1 3.86Å; L154-L158 HydrophobicContact CD1-CG 4.09Å; L154-L158 HydrophobicContact CD2-CD1 4.29Å; L154-L158 HydrophobicContact CG-CD1 3.75Å; L154-L158 HydrophobicContact CG-CG 4.32Å; L154-L158 VanDerWaalsContact O-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.22Å; L154-A168 HydrophobicContact CD2-CB 4.13Å; L154-L170 HydrophobicContact CB-CD1 4.24Å; L154-L170 HydrophobicContact CD2-CD1 4.15Å; L154-L170 HydrophobicContact CD2-CD2 3.86Å; L154-L170 HydrophobicContact CD2-CG 3.75Å; L154-A182 HydrophobicContact CD1-CB 4.23Å; L154-A182 HydrophobicContact CD2-CB 3.73Å; L154-L206 HydrophobicContact CD1-CD2 3.7Å
155L89.3Confident86Confident62 Ų6266 Ų6633%0.32538%0.384SS..Hα-helixtrans-63-39.5-178.9-73173.1000112.3R151 S152 A153 L158 Q159 L165 A168R151-L155 HydrophobicContact CG-CD1 4.34Å; R151-L155 VanDerWaalsContact O-CG 3.32Å; R151-L155 WeakPolarHBondContact O-CG 3.35Å; R151-L155 PolarHBondContact O-N 3.33Å; S152-L155 PolarHBondContact O-N 3.48Å; A153-L155 PolarHBondContact O-N 3.29Å; L155-L158 PolarHBondContact O-N 2.95Å; L155-Q159 PolarHBondContact O-N 3.31Å; L155-Q159 VanDerWaalsContact O-N 3.15Å; L155-L165 HydrophobicContact CD2-CD2 3.89Å; L155-A168 HydrophobicContact CD2-CB 3.89Å
156L87.6Confident85.8Confident118 Ų11871.7 Ų71.762%0.61841%0.411SS*.Hα-helixtrans-61.4-44.7173.2-72171000111.4S152 A153 L154 L158 Q159S152-L156 WeakPolarHBondContact O-CG 3.46Å; S152-L156 PolarHBondContact O-N 3.48Å; S152-L156 VanDerWaalsContact O-N 3.07Å; A153-L156 PolarHBondContact O-N 2.99Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.37Å; L156-L158 VanDerWaalsContact C-N 3.26Å; L156-L158 PolarHBondContact O-N 2.98Å; L156-Q159 WeakPolarHBondContact O-CB 3.46Å; L156-Q159 PolarHBondContact O-N 3.49Å
157A86.2Confident85.8Confident32 Ų3272.9 Ų72.926%0.26441%0.414SS..Hα-helixtrans-65.5-27.8178.200000113.3A153 L154 P160 L206 C207A153-A157 PolarHBondContact O-N 2.91Å; L154-A157 PolarHBondContact O-N 2.68Å; A157-P160 WeakPolarHBondContact O-CD 3.31Å; A157-L206 HydrophobicContact CB-CD1 3.75Å; A157-L206 HydrophobicContact CB-CG 4.09Å; A157-C207 VanDerWaalsContact CB-SG 3.56Å
158L86.8Confident86.1Confident8 Ų867.6 Ų67.64%0.04239%0.386CS..Hα-helixtrans-87.4-10.9178.6-64.5172.4000113.7L154 L155 L156 P160 L161 L165 L184 L206L154-L158 HydrophobicContact CD1-CD1 3.86Å; L154-L158 HydrophobicContact CD1-CG 4.09Å; L154-L158 HydrophobicContact CD2-CD1 4.29Å; L154-L158 HydrophobicContact CG-CD1 3.75Å; L154-L158 HydrophobicContact CG-CG 4.32Å; L154-L158 VanDerWaalsContact O-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.22Å; L155-L158 PolarHBondContact O-N 2.95Å; L156-L158 VanDerWaalsContact C-N 3.26Å; L156-L158 PolarHBondContact O-N 2.98Å; L158-P160 VanDerWaalsContact C-CD 3.41Å; L158-P160 VanDerWaalsContact C-N 3.35Å; L158-L161 HydrophobicContact CB-CD1 4.18Å; L158-L161 HydrophobicContact CD2-CD1 3.4Å; L158-L161 VanDerWaalsContact CD2-CD1 3.4Å; L158-L161 HydrophobicContact CG-CD1 4.38Å; L158-L161 VanDerWaalsContact O-CB 3.3Å; L158-L161 WeakPolarHBondContact O-CB 3.18Å; L158-L161 WeakPolarHBondContact O-CG 3.33Å; L158-L161 PolarHBondContact O-N 3.48Å; L158-L161 VanDerWaalsContact O-N 3.08Å; L158-L165 HydrophobicContact CB-CD2 4.34Å; L158-L165 HydrophobicContact CD1-CD2 3.91Å; L158-L184 HydrophobicContact CD1-CD1 3.94Å; L158-L184 HydrophobicContact CD1-CD2 3.53Å; L158-L184 HydrophobicContact CD1-CG 4.4Å; L158-L184 HydrophobicContact CD2-CD1 3.86Å; L158-L206 HydrophobicContact CD2-CD1 4.15Å; L158-L206 HydrophobicContact CD2-CD2 3.92Å
159Q84Confident86.3Confident142 Ų14267 Ų6766%0.66437%0.374SS*.G310 helixtrans-54.7-39.7-178.6-171.9178.6-900113.9L155 L156 L161 G162L155-Q159 PolarHBondContact O-N 3.31Å; L155-Q159 VanDerWaalsContact O-N 3.15Å; L156-Q159 WeakPolarHBondContact O-CB 3.46Å; L156-Q159 PolarHBondContact O-N 3.49Å; Q159-L161 PolarHBondContact O-N 3.4Å; Q159-G162 PolarHBondContact O-N 3.25Å
160P84.1Confident86.4Confident113 Ų11368 Ų6873%0.73438%0.378SS*.G310 helixtrans-66.6-16178.5-21.935.1000114.8A157 L158 G162A157-P160 WeakPolarHBondContact O-CD 3.31Å; L158-P160 VanDerWaalsContact C-CD 3.41Å; L158-P160 VanDerWaalsContact C-N 3.35Å; P160-G162 PolarHBondContact O-N 2.91Å
161L78.3Confident86.5Confident33 Ų3365 Ų6517%0.17336%0.359CS..G310 helixtrans-70.8-9.8-178.9-56.3179.9000113.2L158 Q159 A195 A198 L199L158-L161 HydrophobicContact CB-CD1 4.18Å; L158-L161 HydrophobicContact CD2-CD1 3.4Å; L158-L161 VanDerWaalsContact CD2-CD1 3.4Å; L158-L161 HydrophobicContact CG-CD1 4.38Å; L158-L161 VanDerWaalsContact O-CB 3.3Å; L158-L161 WeakPolarHBondContact O-CB 3.18Å; L158-L161 WeakPolarHBondContact O-CG 3.33Å; L158-L161 PolarHBondContact O-N 3.48Å; L158-L161 VanDerWaalsContact O-N 3.08Å; Q159-L161 PolarHBondContact O-N 3.4Å; L161-A195 HydrophobicContact CB-CB 4.23Å; L161-A195 HydrophobicContact CD1-CB 4.23Å; L161-A198 HydrophobicContact CD2-CB 3.66Å; L161-L199 HydrophobicContact CD1-CD1 3.81Å; L161-L199 HydrophobicContact CD1-CD2 3.96Å; L161-L199 HydrophobicContact CD1-CG 3.83Å; L161-L199 HydrophobicContact CD2-CD2 4Å; L161-L199 HydrophobicContact CD2-CG 3.81Å
162G74Confident86.4Confident37 Ų3762.8 Ų62.838%0.38136%0.363SS..  trans94.6177.4176.400000113.9Q159 P160Q159-G162 PolarHBondContact O-N 3.25Å; P160-G162 PolarHBondContact O-N 2.91Å
163P76.9Confident86.3Confident131 Ų13159.6 Ų59.685%0.85134%0.341SS*.SBendtrans-72.1147-174.729.6-34.8000111.7
164G84.2Confident85.9Confident21 Ų2160.1 Ų60.122%0.21634%0.341CS..  trans125-3170.300000115.6Q166 F186 S187G164-Q166 PolarHBondContact O-N 3.44Å; G164-F186 CarbonylContact O-C 3.45Å; G164-F186 VanDerWaalsContact O-CA 3.22Å; G164-F186 WeakPolarHBondContact O-CA 3.27Å; G164-S187 PolarHBondContact O-N 3.07Å; G164-S187 PolarHBondContact O-OG 2.92Å
165L88.3Confident85.2Confident53 Ų5361.7 Ų61.728%0.27736%0.357SS..EExtended strand (participates in β ladder)trans-65.2118166.1-176.366.2000109.1L155 L158 E167 A168 L184 F186L155-L165 HydrophobicContact CD2-CD2 3.89Å; L158-L165 HydrophobicContact CB-CD2 4.34Å; L158-L165 HydrophobicContact CD1-CD2 3.91Å; L165-E167 WeakPolarHBondContact CD1-O 3.28Å; L165-A168 HydrophobicContact CD2-CB 4.29Å; L165-L184 HydrophobicContact CD1-CB 3.92Å; L165-L184 HydrophobicContact CD1-CD2 4.25Å; L165-F186 HydrophobicContact CB-CD1 4.36Å; L165-F186 HydrophobicContact CB-CE1 4.16Å; L165-F186 HydrophobicContact CD1-CD1 4.44Å; L165-F186 HydrophobicContact CD1-CE1 4.06Å; L165-F186 HydrophobicContact CD1-CE2 4.32Å; L165-F186 HydrophobicContact CD1-CZ 3.99Å
166Q87.9Confident84.2Confident121 Ų12165.7 Ų65.757%0.56539%0.387SS*.EExtended strand (participates in β ladder)trans-94.5-34.3177.2-68.5-172.5-14.700111.7G164 K185 S187G164-Q166 PolarHBondContact O-N 3.44Å; Q166-K185 PolarHBondContact N-O 3.08Å; Q166-S187 VanDerWaalsContact NE2-CA 3.34Å
167E88.7Confident83.6Confident59 Ų5963.3 Ų63.328%0.27638%0.384SS..EExtended strand (participates in β ladder)trans-151.7138-176.1-179.1169.3-128.800111L165 R169 L184 K185L165-E167 WeakPolarHBondContact CD1-O 3.28Å; E167-R169 HydrophobicContact CG-CG 4Å; E167-R169 IonicContact OE1-CZ 3.64Å; E167-R169 IonicContact OE1-NE 3.03Å; E167-R169 PolarHBondContact OE1-NE 3.46Å; E167-R169 VanDerWaalsContact OE1-NE 3.1Å; E167-R169 IonicContact OE1-NH1 3.5Å; E167-R169 PolarHBondContact OE1-NH1 3.18Å; E167-R169 IonicContact OE1-NH2 3.74Å; E167-R169 PolarHBondContact OE1-NH2 3.39Å; E167-R169 IonicContact OE2-CZ 3.75Å; E167-R169 VanDerWaalsContact OE2-CZ 3.32Å; E167-R169 IonicContact OE2-NE 3.34Å; E167-R169 PolarHBondContact OE2-NE 3.05Å; E167-R169 VanDerWaalsContact OE2-NE 3.15Å; E167-R169 IonicContact OE2-NH2 2.71Å; E167-R169 PolarHBondContact OE2-NH2 3.49Å; E167-L184 WeakPolarHBondContact O-CA 3.41Å; E167-K185 HydrophobicContact CB-CB 4.04Å; E167-K185 PolarHBondContact N-O 3.23Å; E167-K185 PolarHBondContact O-N 3.27Å
168A91.6Very high83.2Confident1 Ų167.4 Ų67.41%0.00841%0.408CS..EExtended strand (participates in β ladder)trans-129125.5168.900000109R151 L154 L155 L165 L183 L184R151-A168 PolarHBondContact NE-O 2.98Å; L154-A168 HydrophobicContact CD2-CB 4.13Å; L155-A168 HydrophobicContact CD2-CB 3.89Å; L165-A168 HydrophobicContact CD2-CB 4.29Å; A168-L183 WeakPolarHBondContact CA-O 3.45Å; A168-L184 HydrophobicContact CB-CD2 3.7Å
169R90.6Very high83.2Confident123 Ų12367.6 Ų67.646%0.46441%0.411SS..EExtended strand (participates in β ladder)trans-122.4131.1175.7-54.6-177.5-161.8-115.17.1109.1E167 A182 L183E167-R169 HydrophobicContact CG-CG 4Å; E167-R169 IonicContact OE1-CZ 3.64Å; E167-R169 IonicContact OE1-NE 3.03Å; E167-R169 PolarHBondContact OE1-NE 3.46Å; E167-R169 VanDerWaalsContact OE1-NE 3.1Å; E167-R169 IonicContact OE1-NH1 3.5Å; E167-R169 PolarHBondContact OE1-NH1 3.18Å; E167-R169 IonicContact OE1-NH2 3.74Å; E167-R169 PolarHBondContact OE1-NH2 3.39Å; E167-R169 IonicContact OE2-CZ 3.75Å; E167-R169 VanDerWaalsContact OE2-CZ 3.32Å; E167-R169 IonicContact OE2-NE 3.34Å; E167-R169 PolarHBondContact OE2-NE 3.05Å; E167-R169 VanDerWaalsContact OE2-NE 3.15Å; E167-R169 IonicContact OE2-NH2 2.71Å; E167-R169 PolarHBondContact OE2-NH2 3.49Å; R169-A182 CarbonylContact O-C 3.58Å; R169-A182 VanDerWaalsContact O-CA 3.28Å; R169-A182 WeakPolarHBondContact O-CA 3.46Å; R169-L183 HydrophobicContact CB-CB 4.48Å; R169-L183 PolarHBondContact N-O 3.34Å; R169-L183 PolarHBondContact O-N 2.91Å
170L91.4Very high83.5Confident36 Ų3662.3 Ų62.319%0.18839%0.387CS..EExtended strand (participates in β ladder)trans-97133.8170.3-77.9166.3000109L145 L149 R151 L154 Q180 A182L145-L170 HydrophobicContact CD1-CD2 3.71Å; L149-L170 HydrophobicContact CD2-CD1 4.45Å; L149-L170 HydrophobicContact CD2-CD2 4.17Å; L149-L170 HydrophobicContact CG-CD1 4.3Å; R151-L170 HydrophobicContact CB-CD1 4.45Å; L154-L170 HydrophobicContact CB-CD1 4.24Å; L154-L170 HydrophobicContact CD2-CD1 4.15Å; L154-L170 HydrophobicContact CD2-CD2 3.86Å; L154-L170 HydrophobicContact CD2-CG 3.75Å; L170-Q180 HydrophobicContact CD2-CB 4.37Å; L170-A182 HydrophobicContact CD2-CB 3.94Å
171L90.6Very high83.9Confident15 Ų1557 Ų578%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-135157.1179.1-59.3174.6000109.3S173 Q180 I181 L183 L224 L228L171-S173 PolarHBondContact O-N 3.39Å; L171-Q180 CarbonylContact O-C 3.53Å; L171-Q180 VanDerWaalsContact O-CA 3.24Å; L171-Q180 WeakPolarHBondContact O-CA 3.3Å; L171-I181 HydrophobicContact CB-CG2 3.97Å; L171-I181 PolarHBondContact N-O 3.4Å; L171-I181 PolarHBondContact O-N 2.87Å; L171-L183 HydrophobicContact CD1-CD1 3.8Å; L171-L183 HydrophobicContact CD1-CG 4.21Å; L171-L224 HydrophobicContact CB-CD2 4.44Å; L171-L224 HydrophobicContact CD1-CB 3.88Å; L171-L224 HydrophobicContact CD1-CD1 4.27Å; L171-L224 HydrophobicContact CD1-CD2 3.98Å; L171-L224 HydrophobicContact CD1-CG 4.26Å; L171-L228 HydrophobicContact CD1-CD1 4.27Å; L171-L228 HydrophobicContact CD2-CD1 4.02Å; L171-L228 HydrophobicContact CD2-CD2 3.56Å; L171-L228 HydrophobicContact CD2-CG 3.82Å
172P87.9Confident84.6Confident90 Ų9055.4 Ų55.458%0.58434%0.344SS*.EExtended strand (participates in β ladder)trans-57.1135165.9-21.633.7000110.2
173S87Confident85.5Confident19 Ų1954.8 Ų54.813%0.13333%0.332CS..  trans-66.7134.2176.8-175.50000109.7D143 L171 G175 G179D143-S173 WeakPolarHBondContact OD1-CB 3.44Å; D143-S173 PolarHBondContact OD1-OG 2.67Å; D143-S173 PolarHBondContact OD2-OG 2.99Å; L171-S173 PolarHBondContact O-N 3.39Å; S173-G175 PolarHBondContact O-N 3.36Å; S173-G175 PolarHBondContact OG-N 2.99Å; S173-G179 WeakPolarHBondContact CB-O 3.46Å; S173-G179 PolarHBondContact N-O 2.95Å
174P79.7Confident86.3Confident48 Ų4848.7 Ų48.731%0.31229%0.292SS..  trans-79.91.5174.533.7-34.5000112.7L220 L224P174-L220 HydrophobicContact CG-CD1 3.75Å; P174-L224 HydrophobicContact CG-CD2 4.22Å
175G73.3Confident86.7Confident33 Ų3351.7 Ų51.734%0.3430%0.299SS..SBendtrans-73.1173177.800000113.6S173 A177S173-G175 PolarHBondContact O-N 3.36Å; S173-G175 PolarHBondContact OG-N 2.99Å; G175-A177 VanDerWaalsContact C-N 3.27Å; G175-A177 PolarHBondContact O-N 2.89Å
176P68.6Low86.7Confident147 Ų14749.6 Ų49.696%0.95529%0.288SS*.SBendtrans-70.9-22179.328.6-34.2000113.2
177A75.4Confident86.5Confident67 Ų6745.8 Ų45.855%0.55427%0.274SS*.SBendtrans-90.3135.9178.900000110.8G175 G179G175-A177 VanDerWaalsContact C-N 3.27Å; G175-A177 PolarHBondContact O-N 2.89Å; A177-G179 PolarHBondContact O-N 3.3Å
178P78.4Confident86.1Confident119 Ų11943.7 Ų43.777%0.77327%0.267SS*.SBendtrans-66.3118.7175.428.3-33.2000109.5L147L147-P178 HydrophobicContact CD1-CB 4.3Å
179G86.6Confident85.6Confident11 Ų1146 Ų4611%0.11328%0.277CS..  trans-173.2-173.5-177.300000111.9S173 A177S173-G179 WeakPolarHBondContact CB-O 3.46Å; S173-G179 PolarHBondContact N-O 2.95Å; A177-G179 PolarHBondContact O-N 3.3Å
180Q91.1Very high85.1Confident31 Ų3146.6 Ų46.615%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-116.8153.4176-69.8-178.1-11.600111.5L145 P146 L147 L149 L170 L171L145-Q180 HydrophobicContact CB-CB 3.94Å; L145-Q180 WeakPolarHBondContact CB-O 3.23Å; L145-Q180 PolarHBondContact N-O 3.4Å; L145-Q180 PolarHBondContact O-N 2.76Å; P146-Q180 PolarHBondContact O-OE1 2.95Å; L147-Q180 HydrophobicContact CD2-CG 4.43Å; L147-Q180 PolarHBondContact O-NE2 3.17Å; L149-Q180 PolarHBondContact O-OE1 3.03Å; L170-Q180 HydrophobicContact CD2-CB 4.37Å; L171-Q180 CarbonylContact O-C 3.53Å; L171-Q180 VanDerWaalsContact O-CA 3.24Å; L171-Q180 WeakPolarHBondContact O-CA 3.3Å
181I91.8Very high84.8Confident1 Ų145.7 Ų45.71%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-121.4131.2171-168.2170.8000109.3V142 D143 L171 L220 L224V142-I181 CarbonylContact O-C 3.52Å; V142-I181 WeakPolarHBondContact O-CA 3.44Å; V142-I181 WeakPolarHBondContact O-CG1 3.45Å; D143-I181 HydrophobicContact CB-CD1 4.07Å; D143-I181 HydrophobicContact CB-CG1 4.02Å; L171-I181 HydrophobicContact CB-CG2 3.97Å; L171-I181 PolarHBondContact N-O 3.4Å; L171-I181 PolarHBondContact O-N 2.87Å; I181-L220 HydrophobicContact CD1-CD2 4Å; I181-L224 HydrophobicContact CG2-CD1 4.43Å; I181-L224 HydrophobicContact CG2-CD2 3.93Å
182A93Very high84.7Confident0 Ų045 Ų450%027%0.273CS..EExtended strand (participates in β ladder)trans-95.9127.7172.200000110.7S141 V142 L145 L154 R169 L170 L184S141-A182 WeakPolarHBondContact CA-O 3.47Å; V142-A182 HydrophobicContact CB-CB 4.26Å; V142-A182 PolarHBondContact N-O 3.4Å; V142-A182 PolarHBondContact O-N 3.21Å; L145-A182 HydrophobicContact CD1-CB 3.46Å; L145-A182 VanDerWaalsContact CD1-CB 3.46Å; L154-A182 HydrophobicContact CD1-CB 4.23Å; L154-A182 HydrophobicContact CD2-CB 3.73Å; R169-A182 CarbonylContact O-C 3.58Å; R169-A182 VanDerWaalsContact O-CA 3.28Å; R169-A182 WeakPolarHBondContact O-CA 3.46Å; L170-A182 HydrophobicContact CD2-CB 3.94Å; A182-L184 HydrophobicContact CB-CD2 4.13Å
183L93.5Very high84.7Confident25 Ų2542.3 Ų42.313%0.13126%0.258CS..EExtended strand (participates in β ladder)trans-97.1117.8167.4-64-172.6000109.5A168 R169 L171 L216 L224A168-L183 WeakPolarHBondContact CA-O 3.45Å; R169-L183 HydrophobicContact CB-CB 4.48Å; R169-L183 PolarHBondContact N-O 3.34Å; R169-L183 PolarHBondContact O-N 2.91Å; L171-L183 HydrophobicContact CD1-CD1 3.8Å; L171-L183 HydrophobicContact CD1-CG 4.21Å; L183-L216 HydrophobicContact CD2-CD1 3.65Å; L183-L216 HydrophobicContact CD2-CD2 4.07Å; L183-L216 HydrophobicContact CD2-CG 4.48Å; L183-L224 HydrophobicContact CD1-CB 4.41Å; L183-L224 HydrophobicContact CD1-CD1 3.71Å; L183-L224 HydrophobicContact CD2-CD1 3.59Å; L183-L224 HydrophobicContact CG-CD1 3.92Å
184L93.4Very high84.7Confident2 Ų245.3 Ų45.31%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-111.9124.5-177.5-51.9-176.4000109.6E139 L140 V142 L158 L165 E167 A168 A182 F186E139-L184 CarbonylContact C-O 3.53Å; E139-L184 VanDerWaalsContact CA-O 3.24Å; E139-L184 WeakPolarHBondContact CA-O 3.49Å; L140-L184 HydrophobicContact CB-CB 4.36Å; L140-L184 PolarHBondContact N-O 3.29Å; L140-L184 PolarHBondContact O-N 3.48Å; V142-L184 HydrophobicContact CG2-CD1 3.75Å; V142-L184 HydrophobicContact CG2-CG 4.33Å; L158-L184 HydrophobicContact CD1-CD1 3.94Å; L158-L184 HydrophobicContact CD1-CD2 3.53Å; L158-L184 HydrophobicContact CD1-CG 4.4Å; L158-L184 HydrophobicContact CD2-CD1 3.86Å; L165-L184 HydrophobicContact CD1-CB 3.92Å; L165-L184 HydrophobicContact CD1-CD2 4.25Å; E167-L184 WeakPolarHBondContact O-CA 3.41Å; A168-L184 HydrophobicContact CB-CD2 3.7Å; A182-L184 HydrophobicContact CB-CD2 4.13Å; L184-F186 HydrophobicContact CB-CD2 4.42Å; L184-F186 HydrophobicContact CB-CE2 3.6Å; L184-F186 HydrophobicContact CB-CZ 4.13Å; L184-F186 HydrophobicContact CD1-CE2 4.37Å; L184-F186 HydrophobicContact CD1-CZ 4.25Å
185K91.3Very high85.1Confident84 Ų8443 Ų4337%0.36526%0.257SS..EExtended strand (participates in β ladder)trans-110.6126.6174.2-174.9-177176.9-175.70109.6E139 Q166 E167E139-K185 HydrophobicContact CG-CB 4.34Å; E139-K185 HydrophobicContact CG-CG 4.17Å; Q166-K185 PolarHBondContact N-O 3.08Å; E167-K185 HydrophobicContact CB-CB 4.04Å; E167-K185 PolarHBondContact N-O 3.23Å; E167-K185 PolarHBondContact O-N 3.27Å
186F90Very high85.9Confident9 Ų944 Ų444%0.03925%0.252CS..EExtended strand (participates in β ladder)trans-107.7160.3179.1-63.7-95.1000111.9C138 L140 G164 L165 L184 S188 A191 A192 A195C138-F186 PolarHBondContact O-N 3.26Å; L140-F186 HydrophobicContact CB-CE2 4.38Å; L140-F186 HydrophobicContact CD1-CE2 3.71Å; L140-F186 HydrophobicContact CD1-CZ 4.23Å; L140-F186 HydrophobicContact CG-CD2 4.49Å; L140-F186 HydrophobicContact CG-CE2 3.97Å; G164-F186 CarbonylContact O-C 3.45Å; G164-F186 VanDerWaalsContact O-CA 3.22Å; G164-F186 WeakPolarHBondContact O-CA 3.27Å; L165-F186 HydrophobicContact CB-CD1 4.36Å; L165-F186 HydrophobicContact CB-CE1 4.16Å; L165-F186 HydrophobicContact CD1-CD1 4.44Å; L165-F186 HydrophobicContact CD1-CE1 4.06Å; L165-F186 HydrophobicContact CD1-CE2 4.32Å; L165-F186 HydrophobicContact CD1-CZ 3.99Å; L184-F186 HydrophobicContact CB-CD2 4.42Å; L184-F186 HydrophobicContact CB-CE2 3.6Å; L184-F186 HydrophobicContact CB-CZ 4.13Å; L184-F186 HydrophobicContact CD1-CE2 4.37Å; L184-F186 HydrophobicContact CD1-CZ 4.25Å; F186-S188 PolarHBondContact O-N 3.08Å; F186-A191 HydrophobicContact CB-CB 4.08Å; F186-A191 HydrophobicContact CD1-CB 4.14Å; F186-A191 HydrophobicContact CG-CB 4.48Å; F186-A192 HydrophobicContact CB-CB 3.93Å; F186-A192 HydrophobicContact CD2-CB 3.63Å; F186-A192 HydrophobicContact CE2-CB 4.38Å; F186-A192 HydrophobicContact CG-CB 3.88Å; F186-A195 HydrophobicContact CD1-CB 4.37Å; F186-A195 HydrophobicContact CE1-CB 3.48Å; F186-A195 VanDerWaalsContact CE1-CB 3.48Å; F186-A195 HydrophobicContact CE2-CB 4.19Å; F186-A195 HydrophobicContact CZ-CB 3.37Å
187S83.4Confident86.8Confident41 Ų4140.8 Ų40.829%0.28722%0.223SC..SBendtrans-71.6-15.9178.963.70000114.3G164 Q166G164-S187 PolarHBondContact O-N 3.07Å; G164-S187 PolarHBondContact O-OG 2.92Å; Q166-S187 VanDerWaalsContact NE2-CA 3.34Å
188S78.8Confident87.3Confident16 Ų1640 Ų4011%0.11222%0.216CC..SBendtrans-158.7158.3179.465.40000111.7F186 R190 A191 A192F186-S188 PolarHBondContact O-N 3.08Å; S188-R190 PolarHBondContact O-N 3.33Å; S188-A191 PolarHBondContact O-N 3.16Å; S188-A191 WeakPolarHBondContact OG-CB 3.4Å; S188-A191 PolarHBondContact OG-N 3.38Å; S188-A191 VanDerWaalsContact OG-N 3.11Å; S188-A192 PolarHBondContact O-N 3.48Å
189H83Confident87.7Confident50 Ų5034.8 Ų34.823%0.23118%0.181CC..Hα-helixtrans-58.4-38.8173.5178.356.9000111.6K137 C138 A192 A193 W215K137-H189 PolarHBondContact O-ND1 3.17Å; C138-H189 PolarHBondContact SG-N 3.07Å; H189-A192 PolarHBondContact O-N 2.88Å; H189-A193 VanDerWaalsContact O-CB 3.27Å; H189-A193 WeakPolarHBondContact O-CB 3.07Å; H189-A193 PolarHBondContact O-N 2.87Å; H189-W215 AromaticContact CE1-CH2 3.6Å; H189-W215 AromaticContact CE1-CZ2 3.9Å; H189-W215 AromaticContact ND1-CH2 3.85Å
190R78.8Confident87.7Confident135 Ų13537.4 Ų37.451%0.50920%0.195SC..Hα-helixtrans-60.5-48176.3179.6178.9175.5-111.8-4.3111.7S188 A192 A193 M194S188-R190 PolarHBondContact O-N 3.33Å; R190-A192 VanDerWaalsContact C-N 3.33Å; R190-A192 PolarHBondContact O-N 2.86Å; R190-A193 PolarHBondContact O-N 3.34Å; R190-M194 HydrophobicContact CG-CG 4.37Å; R190-M194 WeakPolarHBondContact O-CB 3.43Å; R190-M194 WeakPolarHBondContact O-CG 3.16Å; R190-M194 PolarHBondContact O-N 2.84Å
191A84.8Confident87.1Confident17 Ų1742.6 Ų42.614%0.1422%0.219CC..Hα-helixtrans-60-45.4178.300000110.8F186 S188 A193 M194 A195F186-A191 HydrophobicContact CB-CB 4.08Å; F186-A191 HydrophobicContact CD1-CB 4.14Å; F186-A191 HydrophobicContact CG-CB 4.48Å; S188-A191 PolarHBondContact O-N 3.16Å; S188-A191 WeakPolarHBondContact OG-CB 3.4Å; S188-A191 PolarHBondContact OG-N 3.38Å; S188-A191 VanDerWaalsContact OG-N 3.11Å; A191-A193 PolarHBondContact O-N 3.39Å; A191-M194 PolarHBondContact O-N 3.07Å; A191-A195 VanDerWaalsContact O-CB 3.31Å; A191-A195 WeakPolarHBondContact O-CB 3.09Å; A191-A195 PolarHBondContact O-N 2.83Å
192A90.1Very high85.6Confident0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-63.2-41.3175.200000112.8L140 F186 S188 H189 R190 A195 K196 W215L140-A192 HydrophobicContact CG-CB 4.49Å; F186-A192 HydrophobicContact CB-CB 3.93Å; F186-A192 HydrophobicContact CD2-CB 3.63Å; F186-A192 HydrophobicContact CE2-CB 4.38Å; F186-A192 HydrophobicContact CG-CB 3.88Å; S188-A192 PolarHBondContact O-N 3.48Å; H189-A192 PolarHBondContact O-N 2.88Å; R190-A192 VanDerWaalsContact C-N 3.33Å; R190-A192 PolarHBondContact O-N 2.86Å; A192-A195 PolarHBondContact O-N 2.65Å; A192-K196 WeakPolarHBondContact O-CB 3.01Å; A192-K196 PolarHBondContact O-N 3.41Å; A192-W215 HydrophobicContact CB-CH2 4.13Å; A192-W215 HydrophobicContact CB-CZ3 3.69Å
193A87.3Confident84Confident33 Ų3352.5 Ų52.527%0.27328%0.279SS..Hα-helixtrans-67.2-40.7-179.700000112H189 R190 A191 K197 W215H189-A193 VanDerWaalsContact O-CB 3.27Å; H189-A193 WeakPolarHBondContact O-CB 3.07Å; H189-A193 PolarHBondContact O-N 2.87Å; R190-A193 PolarHBondContact O-N 3.34Å; A191-A193 PolarHBondContact O-N 3.39Å; A193-K197 VanDerWaalsContact O-CB 3.31Å; A193-K197 WeakPolarHBondContact O-CB 3.48Å; A193-K197 PolarHBondContact O-N 3.02Å; A193-W215 HydrophobicContact CB-CH2 3.89Å; A193-W215 HydrophobicContact CB-CZ2 4.23Å
194M85.7Confident82.9Confident83 Ų8353 Ų5341%0.40928%0.284SS..Hα-helixtrans-66.4-43.7174.8-70.5-60.6-56.900111.3R190 A191 K197 A198R190-M194 HydrophobicContact CG-CG 4.37Å; R190-M194 WeakPolarHBondContact O-CB 3.43Å; R190-M194 WeakPolarHBondContact O-CG 3.16Å; R190-M194 PolarHBondContact O-N 2.84Å; A191-M194 PolarHBondContact O-N 3.07Å; M194-K197 WeakPolarHBondContact O-CB 3.3Å; M194-K197 PolarHBondContact O-N 2.85Å; M194-A198 WeakPolarHBondContact O-CB 3.15Å; M194-A198 PolarHBondContact O-N 2.92Å
195A89.4Confident82.1Confident0 Ų057.7 Ų57.70%031%0.306CS..Hα-helixtrans-61.2-46.1175.800000111.5L140 L161 F186 A191 A192 K197 A198 L199L140-A195 HydrophobicContact CD1-CB 4.27Å; L161-A195 HydrophobicContact CB-CB 4.23Å; L161-A195 HydrophobicContact CD1-CB 4.23Å; F186-A195 HydrophobicContact CD1-CB 4.37Å; F186-A195 HydrophobicContact CE1-CB 3.48Å; F186-A195 VanDerWaalsContact CE1-CB 3.48Å; F186-A195 HydrophobicContact CE2-CB 4.19Å; F186-A195 HydrophobicContact CZ-CB 3.37Å; A191-A195 VanDerWaalsContact O-CB 3.31Å; A191-A195 WeakPolarHBondContact O-CB 3.09Å; A191-A195 PolarHBondContact O-N 2.83Å; A192-A195 PolarHBondContact O-N 2.65Å; A195-K197 VanDerWaalsContact C-N 3.34Å; A195-K197 PolarHBondContact O-N 2.89Å; A195-A198 PolarHBondContact O-N 3.02Å; A195-L199 WeakPolarHBondContact O-CB 3.35Å; A195-L199 VanDerWaalsContact O-CG 3.28Å; A195-L199 WeakPolarHBondContact O-CG 3.49Å; A195-L199 PolarHBondContact O-N 3.46Å
196K90.4Very high81.6Confident53 Ų5354.2 Ų54.223%0.2329%0.291CS..Hα-helixtrans-57.9-47.2174.3-175.7179.6-177.4-170.60111.4L140 A192 L199 V200 V213 W215L140-K196 HydrophobicContact CD1-CB 3.81Å; L140-K196 HydrophobicContact CD2-CB 3.93Å; L140-K196 HydrophobicContact CD2-CD 4.13Å; L140-K196 HydrophobicContact CD2-CG 4.27Å; A192-K196 WeakPolarHBondContact O-CB 3.01Å; A192-K196 PolarHBondContact O-N 3.41Å; K196-L199 PolarHBondContact O-N 2.88Å; K196-V200 HydrophobicContact CG-CG2 4.21Å; K196-V200 WeakPolarHBondContact O-CB 3.44Å; K196-V200 VanDerWaalsContact O-CG2 3.31Å; K196-V200 WeakPolarHBondContact O-CG2 3.34Å; K196-V200 PolarHBondContact O-N 3.14Å; K196-V213 HydrophobicContact CG-CG1 4.06Å; K196-W215 HydrophobicContact CD-CD2 4.18Å; K196-W215 HydrophobicContact CD-CZ2 3.96Å; K196-W215 VanDerWaalsContact NZ-CD1 3.33Å
197K86.7Confident81.1Confident80 Ų8056.5 Ų56.535%0.34831%0.308SS..Hα-helixtrans-58.5-49.8179-174-178.9178.2-178.70110.9A193 M194 A195 L199 V200 E201A193-K197 VanDerWaalsContact O-CB 3.31Å; A193-K197 WeakPolarHBondContact O-CB 3.48Å; A193-K197 PolarHBondContact O-N 3.02Å; M194-K197 WeakPolarHBondContact O-CB 3.3Å; M194-K197 PolarHBondContact O-N 2.85Å; A195-K197 VanDerWaalsContact C-N 3.34Å; A195-K197 PolarHBondContact O-N 2.89Å; K197-L199 VanDerWaalsContact C-N 3.33Å; K197-L199 PolarHBondContact O-N 2.78Å; K197-V200 PolarHBondContact O-N 2.84Å; K197-E201 VanDerWaalsContact CE-OE1 3.23Å; K197-E201 WeakPolarHBondContact CE-OE1 3.21Å; K197-E201 WeakPolarHBondContact CE-OE2 3.39Å; K197-E201 VanDerWaalsContact CG-CD 3.45Å; K197-E201 HydrophobicContact CG-CG 4.2Å; K197-E201 WeakPolarHBondContact CG-OE1 3.24Å; K197-E201 WeakPolarHBondContact CG-OE2 3.48Å; K197-E201 IonicContact NZ-OE2 3.91Å; K197-E201 WeakPolarHBondContact O-CB 3.49Å; K197-E201 PolarHBondContact O-N 2.96Å
198A86.4Confident80.7Confident49 Ų4957.6 Ų57.641%0.40533%0.326SS..Hα-helixtrans-60.8-41.4178.800000112.2L161 M194 A195 G202L161-A198 HydrophobicContact CD2-CB 3.66Å; M194-A198 WeakPolarHBondContact O-CB 3.15Å; M194-A198 PolarHBondContact O-N 2.92Å; A195-A198 PolarHBondContact O-N 3.02Å; A198-G202 WeakPolarHBondContact O-CA 3.33Å; A198-G202 PolarHBondContact O-N 3.42Å; A198-G202 VanDerWaalsContact O-N 3.08Å
199L86.9Confident80.8Confident10 Ų1061.6 Ų61.65%0.05234%0.343CS..Hα-helixtrans-66.6-43.3177.4-72.5165.9000112.7V142 L161 A195 K196 K197 S204 L206 V213V142-L199 HydrophobicContact CG2-CD1 4.2Å; L161-L199 HydrophobicContact CD1-CD1 3.81Å; L161-L199 HydrophobicContact CD1-CD2 3.96Å; L161-L199 HydrophobicContact CD1-CG 3.83Å; L161-L199 HydrophobicContact CD2-CD2 4Å; L161-L199 HydrophobicContact CD2-CG 3.81Å; A195-L199 WeakPolarHBondContact O-CB 3.35Å; A195-L199 VanDerWaalsContact O-CG 3.28Å; A195-L199 WeakPolarHBondContact O-CG 3.49Å; A195-L199 PolarHBondContact O-N 3.46Å; K196-L199 PolarHBondContact O-N 2.88Å; K197-L199 VanDerWaalsContact C-N 3.33Å; K197-L199 PolarHBondContact O-N 2.78Å; L199-S204 WeakPolarHBondContact O-CA 3.21Å; L199-S204 PolarHBondContact O-N 3.17Å; L199-L206 HydrophobicContact CD2-CD1 4.06Å; L199-V213 HydrophobicContact CB-CB 4.37Å; L199-V213 HydrophobicContact CB-CG1 4.23Å; L199-V213 HydrophobicContact CB-CG2 3.76Å; L199-V213 HydrophobicContact CD1-CG1 3.94Å; L199-V213 HydrophobicContact CD1-CG2 4.15Å; L199-V213 HydrophobicContact CG-CG2 4.44Å
200V86.3Confident80.9Confident67 Ų6766.1 Ų66.141%0.40636%0.364SS..Hα-helixtrans-78.5-49.7-175.8174.60000112.1K196 K197 S204 V213K196-V200 HydrophobicContact CG-CG2 4.21Å; K196-V200 WeakPolarHBondContact O-CB 3.44Å; K196-V200 VanDerWaalsContact O-CG2 3.31Å; K196-V200 WeakPolarHBondContact O-CG2 3.34Å; K196-V200 PolarHBondContact O-N 3.14Å; K197-V200 PolarHBondContact O-N 2.84Å; V200-S204 PolarHBondContact O-OG 3Å; V200-V213 HydrophobicContact CG2-CB 3.99Å
201E78.4Confident81.4Confident140 Ų14060.1 Ų60.165%0.65434%0.343SS*.Hα-helixtrans-81.4-25.4-174.7-63.4178.5-172.200112.9K197K197-E201 VanDerWaalsContact CE-OE1 3.23Å; K197-E201 WeakPolarHBondContact CE-OE1 3.21Å; K197-E201 WeakPolarHBondContact CE-OE2 3.39Å; K197-E201 VanDerWaalsContact CG-CD 3.45Å; K197-E201 HydrophobicContact CG-CG 4.2Å; K197-E201 WeakPolarHBondContact CG-OE1 3.24Å; K197-E201 WeakPolarHBondContact CG-OE2 3.48Å; K197-E201 IonicContact NZ-OE2 3.91Å; K197-E201 WeakPolarHBondContact O-CB 3.49Å; K197-E201 PolarHBondContact O-N 2.96Å
202G60.4Low81.5Confident50 Ų5062.2 Ų62.252%0.51536%0.359SS..Hα-helixtrans-81.7-23.9-17000000115.5A198A198-G202 WeakPolarHBondContact O-CA 3.33Å; A198-G202 PolarHBondContact O-N 3.42Å; A198-G202 VanDerWaalsContact O-N 3.08Å
203Q58.7Low81.6Confident158 Ų15863 Ų6374%0.73836%0.364SS*.THydrogen-bonded Turntrans170.6-6.3168.8-101.4156.42.800112.9H205Q203-H205 PolarHBondContact O-CE1 3.43Å; Q203-H205 PolarHBondContact O-N 3.25Å; Q203-H205 PolarHBondContact O-ND1 2.99Å
204S69.9Low81.8Confident35 Ų3565.4 Ų65.425%0.24537%0.37CS..SBendtrans52.323.7-173.5-59.90000114L199 V200 Q210 V211L199-S204 WeakPolarHBondContact O-CA 3.21Å; L199-S204 PolarHBondContact O-N 3.17Å; V200-S204 PolarHBondContact O-OG 3Å; S204-Q210 CarbonylContact O-C 3.48Å; S204-Q210 WeakPolarHBondContact O-CA 3.27Å; S204-V211 PolarHBondContact O-N 2.73Å
205H77.4Confident82Confident102 Ų10264.5 Ų64.547%0.47236%0.362SS..EExtended strand (participates in β ladder)trans-116.6136.1174.2-65.880000109.9Q203 E209Q203-H205 PolarHBondContact O-CE1 3.43Å; Q203-H205 PolarHBondContact O-N 3.25Å; Q203-H205 PolarHBondContact O-ND1 2.99Å; H205-E209 CarbonylContact C-O 3.52Å; H205-E209 WeakPolarHBondContact CA-O 3.49Å
206L80.3Confident82.1Confident10 Ų1065.8 Ų65.85%0.05237%0.369CS..EExtended strand (participates in β ladder)trans-134.3129.3171.8-165.471.7000107.9V142 L145 L154 A157 L158 L199 G208 E209 V211V142-L206 HydrophobicContact CG1-CD2 4.18Å; L145-L206 HydrophobicContact CD2-CB 4.37Å; L145-L206 HydrophobicContact CD2-CD2 3.99Å; L154-L206 HydrophobicContact CD1-CD2 3.7Å; A157-L206 HydrophobicContact CB-CD1 3.75Å; A157-L206 HydrophobicContact CB-CG 4.09Å; L158-L206 HydrophobicContact CD2-CD1 4.15Å; L158-L206 HydrophobicContact CD2-CD2 3.92Å; L199-L206 HydrophobicContact CD2-CD1 4.06Å; L206-G208 PolarHBondContact O-N 2.95Å; L206-E209 PolarHBondContact N-O 3.49Å; L206-E209 PolarHBondContact O-N 3.37Å; L206-V211 HydrophobicContact CB-CB 4.5Å; L206-V211 HydrophobicContact CB-CG1 3.77Å; L206-V211 HydrophobicContact CB-CG2 3.92Å
207C79.3Confident81.9Confident58 Ų5868.1 Ų68.139%0.39238%0.379SS..THydrogen-bonded Turntrans57.329.7-174.2-50.20000114L149 A157 E209L149-C207 HydrophobicContact CD1-CB 4.14Å; L149-C207 VanDerWaalsContact CD1-SG 3.54Å; A157-C207 VanDerWaalsContact CB-SG 3.56Å; C207-E209 VanDerWaalsContact C-N 3.28Å; C207-E209 PolarHBondContact O-N 3.35Å
208G76.3Confident81.7Confident64 Ų6468.9 Ų68.966%0.6639%0.392SS*.THydrogen-bonded Turntrans84.8-9.3-178.500000115L206L206-G208 PolarHBondContact O-N 2.95Å
209E81.1Confident81.6Confident99 Ų9971.6 Ų71.646%0.46340%0.4SS..EExtended strand (participates in β ladder)trans-100.8147-179.1-64.1-57.5148.400111.9P146 H205 L206 C207 V211P146-E209 HydrophobicContact CB-CG 4.43Å; P146-E209 HydrophobicContact CG-CG 4.08Å; H205-E209 CarbonylContact C-O 3.52Å; H205-E209 WeakPolarHBondContact CA-O 3.49Å; L206-E209 PolarHBondContact N-O 3.49Å; L206-E209 PolarHBondContact O-N 3.37Å; C207-E209 VanDerWaalsContact C-N 3.28Å; C207-E209 PolarHBondContact O-N 3.35Å; E209-V211 PolarHBondContact O-N 3.32Å
210Q84.2Confident81.5Confident145 Ų14572 Ų7268%0.67840%0.402SS*.EExtended strand (participates in β ladder)trans-71.4123173-172.4176.441.100110S204S204-Q210 CarbonylContact O-C 3.48Å; S204-Q210 WeakPolarHBondContact O-CA 3.27Å
211V88.5Confident81.4Confident10 Ų1071.2 Ų71.26%0.06139%0.393CS..  trans-115.2143.9-175.5-65.60000113.1V142 D143 L145 S204 L206 E209 V213V142-V211 HydrophobicContact CG1-CB 3.72Å; V142-V211 HydrophobicContact CG1-CG1 3.98Å; V142-V211 HydrophobicContact CG1-CG2 3.99Å; D143-V211 CarbonylContact O-C 3.59Å; D143-V211 VanDerWaalsContact O-CA 3.3Å; D143-V211 WeakPolarHBondContact O-CA 2.98Å; D143-V211 WeakPolarHBondContact O-CB 3.4Å; L145-V211 HydrophobicContact CD2-CG1 3.61Å; L145-V211 HydrophobicContact CG-CG1 4.42Å; S204-V211 PolarHBondContact O-N 2.73Å; L206-V211 HydrophobicContact CB-CB 4.5Å; L206-V211 HydrophobicContact CB-CG1 3.77Å; L206-V211 HydrophobicContact CB-CG2 3.92Å; E209-V211 PolarHBondContact O-N 3.32Å; V211-V213 HydrophobicContact CG2-CG2 4Å
212A88.8Confident81.6Confident60 Ų6070 Ų7050%0.49639%0.387SS..EExtended strand (participates in β ladder)trans-95.8114.1172.600000110.2V142 D143V142-A212 WeakPolarHBondContact CA-O 3.33Å; D143-A212 HydrophobicContact CB-CB 4.37Å; D143-A212 PolarHBondContact N-O 3.34Å; D143-A212 PolarHBondContact O-N 2.89Å
213V91.3Very high82.7Confident16 Ų1673.7 Ų73.710%0.09739%0.385CS..EExtended strand (participates in β ladder)trans-107.7112.2-177.3-172.30000111.8L140 S141 V142 K196 L199 V200 V211L140-V213 HydrophobicContact CD1-CG1 4.37Å; S141-V213 WeakPolarHBondContact O-CA 3.27Å; V142-V213 HydrophobicContact CG1-CG2 4.19Å; V142-V213 HydrophobicContact CG2-CG1 4.29Å; V142-V213 HydrophobicContact CG2-CG2 4.2Å; K196-V213 HydrophobicContact CG-CG1 4.06Å; L199-V213 HydrophobicContact CB-CB 4.37Å; L199-V213 HydrophobicContact CB-CG1 4.23Å; L199-V213 HydrophobicContact CB-CG2 3.76Å; L199-V213 HydrophobicContact CD1-CG1 3.94Å; L199-V213 HydrophobicContact CD1-CG2 4.15Å; L199-V213 HydrophobicContact CG-CG2 4.44Å; V200-V213 HydrophobicContact CG2-CB 3.99Å; V211-V213 HydrophobicContact CG2-CG2 4Å
214E90.7Very high83.8Confident85 Ų8566.2 Ų66.240%0.39735%0.351SS..EExtended strand (participates in β ladder)trans-122.5160.5179.2-68.1-158.913600112.8L140 S141 K217L140-E214 WeakPolarHBondContact CA-O 3.39Å; S141-E214 PolarHBondContact N-O 2.78Å; S141-E214 PolarHBondContact O-N 2.71Å; E214-K217 VanDerWaalsContact CD-NZ 3.26Å; E214-K217 IonicContact OE1-NZ 2.63Å; E214-K217 PolarHBondContact OE1-NZ 3.14Å; E214-K217 WeakPolarHBondContact OE2-CE 3.25Å; E214-K217 IonicContact OE2-NZ 3.69Å; E214-K217 PolarHBondContact OE2-NZ 2.93Å
215W91.3Very high84.3Confident64 Ų6471.9 Ų71.924%0.24237%0.367CS..EExtended strand (participates in β ladder)trans-66.6133.7162.3-67115.5000108.4K137 L140 H189 A192 A193 K196 K217K137-W215 HydrophobicContact CB-CD2 4.29Å; K137-W215 HydrophobicContact CB-CE3 3.77Å; K137-W215 HydrophobicContact CB-CH2 4.49Å; K137-W215 HydrophobicContact CB-CZ3 3.9Å; K137-W215 HydrophobicContact CD-CD2 4.37Å; K137-W215 HydrophobicContact CD-CG 4.46Å; K137-W215 WeakPolarHBondContact O-CZ3 3.37Å; L140-W215 HydrophobicContact CD2-CD2 3.92Å; L140-W215 HydrophobicContact CD2-CE3 3.32Å; L140-W215 HydrophobicContact CD2-CH2 4.28Å; L140-W215 HydrophobicContact CD2-CZ3 3.52Å; L140-W215 HydrophobicContact CG-CZ3 4.48Å; H189-W215 AromaticContact CE1-CH2 3.6Å; H189-W215 AromaticContact CE1-CZ2 3.9Å; H189-W215 AromaticContact ND1-CH2 3.85Å; A192-W215 HydrophobicContact CB-CH2 4.13Å; A192-W215 HydrophobicContact CB-CZ3 3.69Å; A193-W215 HydrophobicContact CB-CH2 3.89Å; A193-W215 HydrophobicContact CB-CZ2 4.23Å; K196-W215 HydrophobicContact CD-CD2 4.18Å; K196-W215 HydrophobicContact CD-CZ2 3.96Å; K196-W215 VanDerWaalsContact NZ-CD1 3.33Å; W215-K217 PolarHBondContact O-N 2.88Å
216L90.9Very high84.2Confident26 Ų2672.9 Ų72.914%0.13637%0.371CS..  trans-62.8110.6-178.8-178.557.6000110.3E139 L183 L220 K221E139-L216 HydrophobicContact CB-CB 3.76Å; E139-L216 HydrophobicContact CB-CD2 3.88Å; E139-L216 HydrophobicContact CB-CG 4.44Å; E139-L216 PolarHBondContact O-N 3.49Å; L183-L216 HydrophobicContact CD2-CD1 3.65Å; L183-L216 HydrophobicContact CD2-CD2 4.07Å; L183-L216 HydrophobicContact CD2-CG 4.48Å; L216-L220 HydrophobicContact CD1-CB 4.28Å; L216-L220 HydrophobicContact CD1-CD2 4.01Å; L216-L220 HydrophobicContact CD1-CG 4.1Å; L216-K221 HydrophobicContact CD1-CB 4.26Å; L216-K221 HydrophobicContact CD2-CB 4.06Å; L216-K221 HydrophobicContact CD2-CD 3.95Å; L216-K221 HydrophobicContact CD2-CG 3.99Å; L216-K221 HydrophobicContact CG-CB 4.09Å
217K86.3Confident83.6Confident103 Ų10376.9 Ų76.945%0.44839%0.39SS..  trans-73.9142.8177.7-67.5169.5-177.6150.10109.9E214 W215 D219 L220 K221E214-K217 VanDerWaalsContact CD-NZ 3.26Å; E214-K217 IonicContact OE1-NZ 2.63Å; E214-K217 PolarHBondContact OE1-NZ 3.14Å; E214-K217 WeakPolarHBondContact OE2-CE 3.25Å; E214-K217 IonicContact OE2-NZ 3.69Å; E214-K217 PolarHBondContact OE2-NZ 2.93Å; W215-K217 PolarHBondContact O-N 2.88Å; K217-D219 VanDerWaalsContact C-N 3.3Å; K217-D219 PolarHBondContact O-N 3.5Å; K217-L220 HydrophobicContact CB-CB 4.32Å; K217-L220 PolarHBondContact O-N 3.11Å; K217-K221 PolarHBondContact O-N 2.97Å
218P83.2Confident82.8Confident96 Ų9679.2 Ų79.262%0.62340%0.398SS*.Hα-helixtrans-58.1-40.4-179.422.2-32.3000112.7L220 K221 Q222P218-L220 VanDerWaalsContact C-N 3.34Å; P218-L220 PolarHBondContact O-N 2.71Å; P218-K221 WeakPolarHBondContact O-CB 3.39Å; P218-K221 PolarHBondContact O-N 2.92Å; P218-Q222 PolarHBondContact O-N 2.77Å
219D84.3Confident81.9Confident106 Ų10680.5 Ų80.557%0.56739%0.393SS*.Hα-helixtrans-66-36.8179.7-50.3-44.8000112.2K217 R223K217-D219 VanDerWaalsContact C-N 3.3Å; K217-D219 PolarHBondContact O-N 3.5Å; D219-R223 WeakPolarHBondContact O-CG 3.3Å; D219-R223 PolarHBondContact O-N 2.74Å; D219-R223 VanDerWaalsContact O-N 3.14Å; D219-R223 PolarHBondContact O-NE 3.22Å
220L83.6Confident80.1Confident17 Ų1777.6 Ų77.69%0.08939%0.39CS..Hα-helixtrans-68.1-44.4174.6-179.160000110.5P174 I181 L216 K217 P218 Q222 R223 L224P174-L220 HydrophobicContact CG-CD1 3.75Å; I181-L220 HydrophobicContact CD1-CD2 4Å; L216-L220 HydrophobicContact CD1-CB 4.28Å; L216-L220 HydrophobicContact CD1-CD2 4.01Å; L216-L220 HydrophobicContact CD1-CG 4.1Å; K217-L220 HydrophobicContact CB-CB 4.32Å; K217-L220 PolarHBondContact O-N 3.11Å; P218-L220 VanDerWaalsContact C-N 3.34Å; P218-L220 PolarHBondContact O-N 2.71Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.4Å; L220-R223 PolarHBondContact O-N 2.9Å; L220-L224 HydrophobicContact CD1-CD1 3.99Å; L220-L224 HydrophobicContact CD1-CG 4.1Å; L220-L224 HydrophobicContact CG-CD1 3.84Å; L220-L224 HydrophobicContact CG-CG 4.37Å; L220-L224 WeakPolarHBondContact O-CB 3.23Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.25Å; L220-L224 PolarHBondContact O-N 3.45Å
221K83.6Confident78Confident52 Ų5276.8 Ų76.823%0.22640%0.397CS..Hα-helixtrans-58.6-39.3176.3-169.7175-169.6170.70112.3E139 L216 K217 P218 R225E139-K221 IonicContact OE1-NZ 3.32Å; E139-K221 PolarHBondContact OE1-NZ 3.14Å; E139-K221 WeakPolarHBondContact OE2-CE 3.41Å; E139-K221 IonicContact OE2-NZ 2.79Å; E139-K221 PolarHBondContact OE2-NZ 2.91Å; L216-K221 HydrophobicContact CD1-CB 4.26Å; L216-K221 HydrophobicContact CD2-CB 4.06Å; L216-K221 HydrophobicContact CD2-CD 3.95Å; L216-K221 HydrophobicContact CD2-CG 3.99Å; L216-K221 HydrophobicContact CG-CB 4.09Å; K217-K221 PolarHBondContact O-N 2.97Å; P218-K221 WeakPolarHBondContact O-CB 3.39Å; P218-K221 PolarHBondContact O-N 2.92Å; K221-R225 VanDerWaalsContact O-CG 3.29Å; K221-R225 WeakPolarHBondContact O-CG 3.23Å; K221-R225 PolarHBondContact O-N 2.93Å; K221-R225 VanDerWaalsContact O-N 3.13Å
222Q83.5Confident75.6Confident113 Ų11381.8 Ų81.853%0.52843%0.432SS..Hα-helixtrans-67.8-45.6177.4-176.2170.8-200112.1P218 L220 R225 Q226P218-Q222 PolarHBondContact O-N 2.77Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.4Å; Q222-R225 WeakPolarHBondContact O-CB 3.38Å; Q222-R225 PolarHBondContact O-N 3.4Å; Q222-Q226 WeakPolarHBondContact O-CG 3.06Å; Q222-Q226 PolarHBondContact O-N 2.83Å; Q222-Q226 VanDerWaalsContact O-N 3.09Å
223R82.6Confident73.3Confident128 Ų12885.5 Ų85.548%0.48344%0.443SS..Hα-helixtrans-60.7-45.5176.8-74.8-179.9-72.5169.4-1.3112.4D219 L220 R225 Q226 Q227D219-R223 WeakPolarHBondContact O-CG 3.3Å; D219-R223 PolarHBondContact O-N 2.74Å; D219-R223 VanDerWaalsContact O-N 3.14Å; D219-R223 PolarHBondContact O-NE 3.22Å; L220-R223 PolarHBondContact O-N 2.9Å; R223-R225 VanDerWaalsContact C-N 3.3Å; R223-R225 PolarHBondContact O-N 3.14Å; R223-Q226 WeakPolarHBondContact O-CB 3.21Å; R223-Q226 PolarHBondContact O-N 2.94Å; R223-Q226 VanDerWaalsContact O-N 3.12Å; R223-Q227 PolarHBondContact O-N 3.06Å; R223-Q227 VanDerWaalsContact O-N 3.14Å
224L82.3Confident70.4Confident2 Ų294.2 Ų94.21%0.0147%0.474CS..Hα-helixtrans-64.6-33.9178.3-67.6172.6000112.3L171 P174 I181 L183 L220 Q227 L228L171-L224 HydrophobicContact CB-CD2 4.44Å; L171-L224 HydrophobicContact CD1-CB 3.88Å; L171-L224 HydrophobicContact CD1-CD1 4.27Å; L171-L224 HydrophobicContact CD1-CD2 3.98Å; L171-L224 HydrophobicContact CD1-CG 4.26Å; P174-L224 HydrophobicContact CG-CD2 4.22Å; I181-L224 HydrophobicContact CG2-CD1 4.43Å; I181-L224 HydrophobicContact CG2-CD2 3.93Å; L183-L224 HydrophobicContact CD1-CB 4.41Å; L183-L224 HydrophobicContact CD1-CD1 3.71Å; L183-L224 HydrophobicContact CD2-CD1 3.59Å; L183-L224 HydrophobicContact CG-CD1 3.92Å; L220-L224 HydrophobicContact CD1-CD1 3.99Å; L220-L224 HydrophobicContact CD1-CG 4.1Å; L220-L224 HydrophobicContact CG-CD1 3.84Å; L220-L224 HydrophobicContact CG-CG 4.37Å; L220-L224 WeakPolarHBondContact O-CB 3.23Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.25Å; L220-L224 PolarHBondContact O-N 3.45Å; L224-Q227 PolarHBondContact O-N 2.99Å; L224-L228 PolarHBondContact O-N 3.36Å
225R80.3Confident67.6Low153 Ų15395.5 Ų95.558%0.57749%0.49SS*.Hα-helixtrans-64.3-41171.8-79.4171.3174.6173.4-6112.3K221 Q222 R223 Q227 L228 V229K221-R225 VanDerWaalsContact O-CG 3.29Å; K221-R225 WeakPolarHBondContact O-CG 3.23Å; K221-R225 PolarHBondContact O-N 2.93Å; K221-R225 VanDerWaalsContact O-N 3.13Å; Q222-R225 WeakPolarHBondContact O-CB 3.38Å; Q222-R225 PolarHBondContact O-N 3.4Å; R223-R225 VanDerWaalsContact C-N 3.3Å; R223-R225 PolarHBondContact O-N 3.14Å; R225-Q227 VanDerWaalsContact C-N 3.26Å; R225-Q227 PolarHBondContact O-N 2.78Å; R225-L228 PolarHBondContact O-N 2.84Å; R225-V229 PolarHBondContact O-N 2.86Å
226Q74.8Confident64.7Low123 Ų12397.7 Ų97.758%0.57551%0.512SS*.Hα-helixtrans-65.6-29.3177.5-69.9168.9-21.400112.2Q222 R223Q222-Q226 WeakPolarHBondContact O-CG 3.06Å; Q222-Q226 PolarHBondContact O-N 2.83Å; Q222-Q226 VanDerWaalsContact O-N 3.09Å; R223-Q226 WeakPolarHBondContact O-CB 3.21Å; R223-Q226 PolarHBondContact O-N 2.94Å; R223-Q226 VanDerWaalsContact O-N 3.12Å
227Q68.1Low61.9Low94 Ų94103.4 Ų103.444%0.43954%0.538SS..Hα-helixtrans-74.8-33.4175.3-71.1177.8-38.300113.6R223 L224 R225 V229R223-Q227 PolarHBondContact O-N 3.06Å; R223-Q227 VanDerWaalsContact O-N 3.14Å; L224-Q227 PolarHBondContact O-N 2.99Å; R225-Q227 VanDerWaalsContact C-N 3.26Å; R225-Q227 PolarHBondContact O-N 2.78Å; Q227-V229 PolarHBondContact O-N 2.76Å
228L63.8Low59.6Low107 Ų107103.2 Ų103.256%0.5655%0.548SS*.Hα-helixtrans-69-24.7175.7-79.8164.3000112.6L171 L224 R225 G230L171-L228 HydrophobicContact CD1-CD1 4.27Å; L171-L228 HydrophobicContact CD2-CD1 4.02Å; L171-L228 HydrophobicContact CD2-CD2 3.56Å; L171-L228 HydrophobicContact CD2-CG 3.82Å; L224-L228 PolarHBondContact O-N 3.36Å; R225-L228 PolarHBondContact O-N 2.84Å; L228-G230 PolarHBondContact O-N 2.93Å
229V57.3Low57.1Low92 Ų92106.9 Ų106.956%0.55856%0.556SS**SBendtrans-87.885.1167.2-171.30000106.3R225 Q227R225-V229 PolarHBondContact O-N 2.86Å; Q227-V229 PolarHBondContact O-N 2.76Å
230G42Very low55.1Low38 Ų38105 Ų10539%0.39256%0.563SS.*  trans-52.9171.7-175.500000114.3L228 S232 L233L228-G230 PolarHBondContact O-N 2.93Å; G230-S232 PolarHBondContact O-N 3.36Å; G230-L233 PolarHBondContact O-N 2.74Å
231P40.6Very low53.1Low127 Ų127109.7 Ų109.783%0.82560%0.596SS**G310 helixtrans-63.37-17324.8-32.2000116.2L233P231-L233 VanDerWaalsContact C-N 3.29Å; P231-L233 PolarHBondContact O-N 3.22Å
232S39.2Very low50.8Low116 Ų116115.6 Ų115.681%0.81163%0.625SS**G310 helixtrans-83.22.6176.4-163.40000114.5G230G230-S232 PolarHBondContact O-N 3.36Å
233L39.6Very low48.4Very low138 Ų138116 Ų11672%0.72363%0.63SS**G310 helixtrans-13171.7161.1-71170.3000108.9G230 P231 P235G230-L233 PolarHBondContact O-N 2.74Å; P231-L233 VanDerWaalsContact C-N 3.29Å; P231-L233 PolarHBondContact O-N 3.22Å; L233-P235 WeakPolarHBondContact O-CD 3.24Å
234R29.9Very low46Very low199 Ų199113.8 Ų113.875%0.75164%0.639SS**PPolyproline II helixtrans-50.6125.3148.3-68.5-177.8-174.7173.21.5105.6
235P33.3Very low43.8Very low111 Ų111121 Ų12172%0.72168%0.677SS**PPolyproline II helixtrans-53.4132.2149.318-14.1000103.7L233 Q237L233-P235 WeakPolarHBondContact O-CD 3.24Å; P235-Q237 PolarHBondContact O-N 2.87Å
236P28.8Very low41.4Very low110 Ų110117.9 Ų117.971%0.71468%0.684SS**PPolyproline II helixtrans-48.6121.6-176.820.2-29.7000106.2
237Q33.3Very low39.6Very low146 Ų146123.1 Ų123.168%0.68270%0.698SS**PPolyproline II helixtrans-47.7134.1154.8-77.5-123.1-34.900103.8P235 E239P235-Q237 PolarHBondContact O-N 2.87Å; Q237-E239 PolarHBondContact O-N 2.86Å
238P37.5Very low38.2Very low100 Ų100125.1 Ų125.165%0.64971%0.712SS**  trans-67.177.7166.829.2-29.1000105.3G240 L243P238-G240 PolarHBondContact O-N 3.47Å; P238-L243 HydrophobicContact CB-CD1 4.04Å
239E30.5Very low37Very low172 Ų172129.7 Ų129.780%0.80473%0.727SS**  trans-54.5107.6151-71.2-146.2149.800103.5Q237 S241Q237-E239 PolarHBondContact O-N 2.86Å; E239-S241 PolarHBondContact O-N 3.31Å
240G43.3Very low36.3Very low68 Ų68131.7 Ų131.770%0.70173%0.734SS**THydrogen-bonded Turntrans-53.4112.5-179.700000107.6P238P238-G240 PolarHBondContact O-N 3.47Å
241S41.8Very low36Very low114 Ų114133 Ų13380%0.79775%0.747SS**THydrogen-bonded Turntrans171.2-3.8144.4-81.60000113.9E239E239-S241 PolarHBondContact O-N 3.31Å
242Q35.3Very low36.2Very low176 Ų176133.1 Ų133.182%0.82275%0.752SS**SBendtrans-123.6-10.7178.7-66.8-171.11.600116.3A244Q242-A244 VanDerWaalsContact C-N 3.28Å; Q242-A244 PolarHBondContact O-N 3.46Å
243L32.1Very low36.9Very low123 Ų123133.1 Ų133.164%0.64474%0.739SS**THydrogen-bonded Turntrans-82.9-1.4171-94.9149.4000114.1P238 L245P238-L243 HydrophobicContact CB-CD1 4.04Å; L243-L245 VanDerWaalsContact C-N 3.3Å
244A32.7Very low38.8Very low80 Ų80128.6 Ų128.666%0.66173%0.726SS**THydrogen-bonded Turntrans-75.3-17.4172.100000113Q242Q242-A244 VanDerWaalsContact C-N 3.28Å; Q242-A244 PolarHBondContact O-N 3.46Å
245L34.8Very low41.3Very low154 Ų154120 Ų12081%0.80670%0.698SS**SBendtrans-100.3-10.9-174.3-120.280.3000115.3L243L243-L245 VanDerWaalsContact C-N 3.3Å
246A31.8Very low43.8Very low88 Ų88118 Ų11873%0.72768%0.676SS**SBendtrans-100.95.317700000113.4
247R36.9Very low46.5Very low233 Ų233114.5 Ų114.588%0.87966%0.655SS**SBendtrans-83.2-4.5168.7-134.1173.8-172.9175.20.3112.4
248D37.6Very low49.2Very low135 Ų135110 Ų11072%0.72264%0.638SS**SBendtrans-108.89.9-161-145.837.5000114.9
249K39.8Very low51.6Low203 Ų203105.2 Ų105.288%0.88361%0.607SS**SBendtrans-139.744175.2-69.9-165.2179.5-171.10115.1
250L40.9Very low54.4Low134 Ų134101.2 Ų101.270%0.70259%0.588SS**SBendtrans-120.885150.1-16070.8000107.7S252L250-S252 PolarHBondContact O-N 3.35Å
251G37.1Very low56.5Low65 Ų65103 Ų10367%0.6758%0.581SS**  trans-56.6126-176.700000111.5Q253G251-Q253 PolarHBondContact O-N 3.47Å
252S44.7Very low58.7Low131 Ų13199.8 Ų99.892%0.91656%0.555SS**SBendtrans49.31.3154.3-166.60000120.4L250L250-S252 PolarHBondContact O-N 3.35Å
253Q53.7Low61.1Low115 Ų11591.4 Ų91.454%0.53752%0.516SS..  trans-131.8109.3-177.3-71.4-161.3-25.600110.4G251 A257G251-Q253 PolarHBondContact O-N 3.47Å; Q253-A257 HydrophobicContact CB-CB 4Å; Q253-A257 HydrophobicContact CG-CB 4.47Å
254G78.3Confident63.7Low44 Ų4490.3 Ų90.345%0.45451%0.507SS..  trans-59.5164.7178.200000113.5R256 A257 T258G254-R256 PolarHBondContact O-N 3.03Å; G254-A257 WeakPolarHBondContact O-CB 3.43Å; G254-A257 PolarHBondContact O-N 3.27Å; G254-T258 PolarHBondContact O-N 2.81Å
255A83.6Confident66.1Low19 Ų1997 Ų9716%0.15752%0.515CS..Hα-helixtrans-54.1-33.1-175.700000113.2T258 L259 V326A255-T258 PolarHBondContact O-N 3.22Å; A255-L259 PolarHBondContact O-N 3.2Å; A255-V326 HydrophobicContact CB-CG2 3.52Å
256R85.9Confident68.5Low69 Ų6993 Ų9326%0.2649%0.494SS..Hα-helixtrans-61.7-43.8173.1-78.3166.869.9167.2-8.1114.1G254 T258 L259 Q260 F273 E318 D322 S325G254-R256 PolarHBondContact O-N 3.03Å; R256-T258 VanDerWaalsContact C-N 3.29Å; R256-T258 PolarHBondContact O-N 3.31Å; R256-L259 PolarHBondContact O-N 3.21Å; R256-Q260 WeakPolarHBondContact O-CB 3.32Å; R256-Q260 PolarHBondContact O-N 3.24Å; R256-F273 HydrophobicContact CG-CZ 4.4Å; R256-E318 IonicContact CZ-OE2 3.62Å; R256-E318 VanDerWaalsContact NH1-CD 3.3Å; R256-E318 IonicContact NH1-OE1 3.29Å; R256-E318 IonicContact NH1-OE2 3.34Å; R256-E318 PolarHBondContact NH1-OE2 2.75Å; R256-E318 IonicContact NH2-OE2 3.85Å; R256-E318 PolarHBondContact NH2-OE2 3.36Å; R256-D322 WeakPolarHBondContact CD-OD1 3.36Å; R256-D322 WeakPolarHBondContact CG-OD1 3.25Å; R256-D322 PolarHBondContact N-OD1 3.02Å; R256-S325 WeakPolarHBondContact CG-OG 3.49Å
257A85.8Confident71Confident35 Ų3598 Ų9829%0.28950%0.499SS..Hα-helixtrans-65.1-38.8178.500000110.6Q253 G254 Q260 L261Q253-A257 HydrophobicContact CB-CB 4Å; Q253-A257 HydrophobicContact CG-CB 4.47Å; G254-A257 WeakPolarHBondContact O-CB 3.43Å; G254-A257 PolarHBondContact O-N 3.27Å; A257-Q260 PolarHBondContact O-N 2.77Å; A257-L261 PolarHBondContact O-N 3.41Å
258T88.7Confident73.2Confident51 Ų5188.6 Ų88.631%0.31347%0.466SS..Hα-helixtrans-64-43.6175.3-55.30000111.6G254 A255 R256 Q260 L261 L262 L329G254-T258 PolarHBondContact O-N 2.81Å; A255-T258 PolarHBondContact O-N 3.22Å; R256-T258 VanDerWaalsContact C-N 3.29Å; R256-T258 PolarHBondContact O-N 3.31Å; T258-Q260 VanDerWaalsContact C-N 3.34Å; T258-Q260 PolarHBondContact O-N 2.81Å; T258-L261 PolarHBondContact O-N 3.46Å; T258-L262 PolarHBondContact O-N 2.87Å; T258-L329 HydrophobicContact CG2-CD1 3.87Å; T258-L329 HydrophobicContact CG2-CD2 3.99Å
259L88.4Confident75.3Confident0 Ų083.6 Ų83.60%045%0.446CS..Hα-helixtrans-62.2-43175.3-176.671.4000111.7A255 R256 L261 L262 C263 P271 F273 L328 L329 L332A255-L259 PolarHBondContact O-N 3.2Å; R256-L259 PolarHBondContact O-N 3.21Å; L259-L261 VanDerWaalsContact C-N 3.35Å; L259-L261 PolarHBondContact O-N 2.91Å; L259-L262 PolarHBondContact O-N 2.95Å; L259-C263 PolarHBondContact O-N 3.02Å; L259-C263 PolarHBondContact O-SG 3.25Å; L259-P271 HydrophobicContact CD2-CB 4.11Å; L259-P271 HydrophobicContact CD2-CG 4.07Å; L259-P271 HydrophobicContact CG-CG 4.28Å; L259-F273 HydrophobicContact CD2-CE2 4.44Å; L259-F273 HydrophobicContact CD2-CZ 3.68Å; L259-L328 HydrophobicContact CD1-CB 3.78Å; L259-L328 HydrophobicContact CD2-CB 4.11Å; L259-L328 HydrophobicContact CD2-CD1 3.85Å; L259-L329 HydrophobicContact CB-CD1 4.49Å; L259-L329 HydrophobicContact CB-CD2 4.16Å; L259-L329 HydrophobicContact CB-CG 4.12Å; L259-L329 HydrophobicContact CD1-CD2 3.99Å; L259-L329 HydrophobicContact CD1-CG 4.01Å; L259-L332 HydrophobicContact CD1-CD1 3.77Å
260Q89.4Confident77.5Confident89 Ų8976.9 Ų76.942%0.41643%0.425SS..Hα-helixtrans-60.7-45177.9-178.4167.1-26.400111.4R256 A257 T258 L262 C263 Q264R256-Q260 WeakPolarHBondContact O-CB 3.32Å; R256-Q260 PolarHBondContact O-N 3.24Å; A257-Q260 PolarHBondContact O-N 2.77Å; T258-Q260 VanDerWaalsContact C-N 3.34Å; T258-Q260 PolarHBondContact O-N 2.81Å; Q260-L262 PolarHBondContact O-N 3.31Å; Q260-C263 PolarHBondContact O-N 3.39Å; Q260-Q264 VanDerWaalsContact O-CG 3.3Å; Q260-Q264 WeakPolarHBondContact O-CG 3.37Å; Q260-Q264 PolarHBondContact O-N 2.83Å
261L87.5Confident79.9Confident104 Ų10471.2 Ų71.255%0.54540%0.396SS..Hα-helixtrans-63.2-41.3176.9-16970.9000112A257 T258 L259 Q264 R265A257-L261 PolarHBondContact O-N 3.41Å; T258-L261 PolarHBondContact O-N 3.46Å; L259-L261 VanDerWaalsContact C-N 3.35Å; L259-L261 PolarHBondContact O-N 2.91Å; L261-Q264 PolarHBondContact O-N 2.91Å; L261-R265 WeakPolarHBondContact O-CB 3.42Å; L261-R265 PolarHBondContact O-N 3.38Å
262L87.2Confident82.4Confident48 Ų4872 Ų7225%0.25139%0.388SS..Hα-helixtrans-62-46.2176.4-178.465.3000111.5T258 L259 Q260 Q264 R265 M266 L329 L332T258-L262 PolarHBondContact O-N 2.87Å; L259-L262 PolarHBondContact O-N 2.95Å; Q260-L262 PolarHBondContact O-N 3.31Å; L262-Q264 VanDerWaalsContact C-N 3.31Å; L262-Q264 PolarHBondContact O-N 2.77Å; L262-R265 PolarHBondContact O-N 3.43Å; L262-M266 HydrophobicContact CD1-CG 4.42Å; L262-M266 HydrophobicContact CG-CE 4.25Å; L262-M266 WeakPolarHBondContact O-CG 3.47Å; L262-M266 PolarHBondContact O-N 2.85Å; L262-L329 HydrophobicContact CB-CD2 4.24Å; L262-L329 HydrophobicContact CD2-CD2 3.73Å; L262-L332 HydrophobicContact CD2-CB 3.92Å; L262-L332 HydrophobicContact CD2-CD1 4.28Å
263C85.4Confident84.7Confident0 Ų067.4 Ų67.40%035%0.351CS..Hα-helixtrans-64.7-36.8179.3-620000111.8L259 Q260 M266 K267 L268 G269 I294L259-C263 PolarHBondContact O-N 3.02Å; L259-C263 PolarHBondContact O-SG 3.25Å; Q260-C263 PolarHBondContact O-N 3.39Å; C263-M266 PolarHBondContact O-N 3.45Å; C263-K267 PolarHBondContact O-N 2.7Å; C263-K267 VanDerWaalsContact O-N 3.17Å; C263-L268 PolarHBondContact O-N 2.79Å; C263-G269 VanDerWaalsContact CB-O 3.23Å; C263-G269 WeakPolarHBondContact CB-O 3.48Å; C263-I294 HydrophobicContact CB-CG2 4.43Å
264Q86.6Confident86.4Confident99 Ų9966 Ų6646%0.46335%0.347SS..Hα-helixtrans-64.4-46.1172.9-73174.97.700111.7Q260 L261 L262 M266 K267Q260-Q264 VanDerWaalsContact O-CG 3.3Å; Q260-Q264 WeakPolarHBondContact O-CG 3.37Å; Q260-Q264 PolarHBondContact O-N 2.83Å; L261-Q264 PolarHBondContact O-N 2.91Å; L262-Q264 VanDerWaalsContact C-N 3.31Å; L262-Q264 PolarHBondContact O-N 2.77Å; Q264-M266 VanDerWaalsContact C-N 3.26Å; Q264-M266 PolarHBondContact O-N 3.44Å; Q264-K267 PolarHBondContact O-N 2.96Å
265R84.4Confident86.9Confident221 Ų22165.2 Ų65.283%0.83433%0.333SS*.Hα-helixtrans-60-37.1177.1-174176.3179.3173.40.3112.2L261 L262 K267L261-R265 WeakPolarHBondContact O-CB 3.42Å; L261-R265 PolarHBondContact O-N 3.38Å; L262-R265 PolarHBondContact O-N 3.43Å; R265-K267 VanDerWaalsContact C-N 3.28Å; R265-K267 PolarHBondContact O-N 3.45Å
266M83.8Confident87.1Confident71 Ų7170.8 Ų70.835%0.3535%0.354SS..THydrogen-bonded Turntrans-84.64.4177.1-63-151.5-65.800113.9L262 C263 Q264 L268 L332L262-M266 HydrophobicContact CD1-CG 4.42Å; L262-M266 HydrophobicContact CG-CE 4.25Å; L262-M266 WeakPolarHBondContact O-CG 3.47Å; L262-M266 PolarHBondContact O-N 2.85Å; C263-M266 PolarHBondContact O-N 3.45Å; Q264-M266 VanDerWaalsContact C-N 3.26Å; Q264-M266 PolarHBondContact O-N 3.44Å; M266-L268 HydrophobicContact CB-CD1 4.01Å; M266-L268 HydrophobicContact CB-CG 3.8Å; M266-L268 HydrophobicContact CE-CD1 3.62Å; M266-L268 PolarHBondContact O-N 2.63Å; M266-L332 HydrophobicContact CE-CB 4.23Å; M266-L332 HydrophobicContact CE-CD1 4.45Å; M266-L332 HydrophobicContact CE-CD2 4.26Å
267K86.3Confident87Confident193 Ų19369.9 Ų69.984%0.83936%0.358SS*.THydrogen-bonded Turntrans54.831.8-177.3-57.5-177.2178.9-179.10113.9C263 Q264 R265C263-K267 PolarHBondContact O-N 2.7Å; C263-K267 VanDerWaalsContact O-N 3.17Å; Q264-K267 PolarHBondContact O-N 2.96Å; R265-K267 VanDerWaalsContact C-N 3.28Å; R265-K267 PolarHBondContact O-N 3.45Å
268L81.9Confident86.9Confident34 Ų3471.6 Ų71.618%0.17836%0.362CS..  trans-91.4-5.4-179.7-56.6179.4000113.5C263 M266 I294 P295 G296C263-L268 PolarHBondContact O-N 2.79Å; M266-L268 HydrophobicContact CB-CD1 4.01Å; M266-L268 HydrophobicContact CB-CG 3.8Å; M266-L268 HydrophobicContact CE-CD1 3.62Å; M266-L268 PolarHBondContact O-N 2.63Å; L268-I294 HydrophobicContact CB-CG2 3.56Å; L268-I294 HydrophobicContact CD1-CG2 4.43Å; L268-I294 WeakPolarHBondContact O-CG2 3.3Å; L268-P295 WeakPolarHBondContact O-CD 3.43Å; L268-G296 WeakPolarHBondContact CD2-O 3.42Å; L268-G296 WeakPolarHBondContact O-CA 2.91Å; L268-G296 PolarHBondContact O-N 2.85Å
269G82.3Confident86.4Confident31 Ų3170.7 Ų70.732%0.3236%0.362SS..  trans80173.8-175.100000113.7C263C263-G269 VanDerWaalsContact CB-O 3.23Å; C263-G269 WeakPolarHBondContact CB-O 3.48Å
270S85.6Confident85.9Confident61 Ų6176.7 Ų76.743%0.42739%0.393SS..PPolyproline II helixtrans-76.4133.2-172.7-620000112.5V272 P295S270-V272 PolarHBondContact O-N 2.93Å; S270-P295 WeakPolarHBondContact O-CD 3.5Å
271P90.5Very high85.1Confident15 Ų1573.2 Ų73.210%0.09738%0.381CS..PPolyproline II helixtrans-69127177.327.1-33.2000111.5L259 F273 V292 I294L259-P271 HydrophobicContact CD2-CB 4.11Å; L259-P271 HydrophobicContact CD2-CG 4.07Å; L259-P271 HydrophobicContact CG-CG 4.28Å; P271-F273 HydrophobicContact CB-CE2 3.9Å; P271-F273 HydrophobicContact CB-CZ 4.42Å; P271-F273 HydrophobicContact CG-CE2 4.05Å; P271-V292 HydrophobicContact CB-CG1 3.92Å; P271-I294 HydrophobicContact CB-CG1 4.08Å
272V90.7Very high84.1Confident83 Ų8373.8 Ų73.850%0.50339%0.392SS..EExtended strand (participates in β ladder)trans-103.3123.3175.9-179.80000109.2S270 V292 V293S270-V272 PolarHBondContact O-N 2.93Å; V272-V292 VanDerWaalsContact O-CA 3.3Å; V272-V292 WeakPolarHBondContact O-CA 3.48Å; V272-V293 PolarHBondContact N-O 2.87Å; V272-V293 PolarHBondContact O-N 2.86Å
273F92.7Very high83.4Confident34 Ų3475.9 Ų75.915%0.14942%0.415CS..EExtended strand (participates in β ladder)trans-102126-176.8-66.4-103.5000111.8R256 L259 P271 V292 K321 V324 S325R256-F273 HydrophobicContact CG-CZ 4.4Å; L259-F273 HydrophobicContact CD2-CE2 4.44Å; L259-F273 HydrophobicContact CD2-CZ 3.68Å; P271-F273 HydrophobicContact CB-CE2 3.9Å; P271-F273 HydrophobicContact CB-CZ 4.42Å; P271-F273 HydrophobicContact CG-CE2 4.05Å; F273-V292 HydrophobicContact CD1-CG1 4.39Å; F273-V292 HydrophobicContact CD1-CG2 3.43Å; F273-V292 VanDerWaalsContact CD1-CG2 3.43Å; F273-V292 HydrophobicContact CE1-CG1 4.29Å; F273-V292 HydrophobicContact CE1-CG2 3.65Å; F273-V292 HydrophobicContact CG-CG2 4.14Å; F273-V292 HydrophobicContact CZ-CG1 4.35Å; F273-V292 HydrophobicContact CZ-CG2 4.5Å; F273-K321 HydrophobicContact CB-CD 4.03Å; F273-K321 HydrophobicContact CB-CG 3.8Å; F273-K321 HydrophobicContact CD1-CB 4.03Å; F273-K321 HydrophobicContact CD1-CG 3.91Å; F273-K321 HydrophobicContact CE1-CB 4.41Å; F273-K321 HydrophobicContact CG-CB 4.39Å; F273-K321 HydrophobicContact CG-CD 4.44Å; F273-K321 HydrophobicContact CG-CG 3.99Å; F273-V324 HydrophobicContact CD1-CG1 4.39Å; F273-V324 HydrophobicContact CE1-CB 4.41Å; F273-V324 HydrophobicContact CE1-CG1 4.06Å; F273-S325 WeakPolarHBondContact CE1-OG 3.4Å; F273-S325 WeakPolarHBondContact CZ-OG 3.25Å
274L88.6Confident82.8Confident86 Ų8677.5 Ų77.545%0.4543%0.433SS..EExtended strand (participates in β ladder)trans-110.3129.2166.3-61.1168000107.6W289 Y290 Q291L274-W289 HydrophobicContact CB-CZ3 4.36Å; L274-Y290 CarbonylContact O-C 3.43Å; L274-Y290 WeakPolarHBondContact O-CA 3.4Å; L274-Q291 HydrophobicContact CB-CB 4.27Å; L274-Q291 HydrophobicContact CD1-CB 4.45Å; L274-Q291 PolarHBondContact N-O 3.11Å; L274-Q291 PolarHBondContact O-N 3.28Å
275T89.7Confident82.5Confident26 Ų2678.2 Ų78.216%0.1643%0.431CS..EExtended strand (participates in β ladder)trans-138.5135.4-179.649.20000109.5W289 H317 A320 K321T275-W289 CarbonylContact C-O 3.52Å; T275-W289 WeakPolarHBondContact CA-O 3.32Å; T275-H317 WeakPolarHBondContact CB-ND1 3.28Å; T275-H317 PolarHBondContact O-CE1 3.18Å; T275-H317 VanDerWaalsContact O-CE1 3.28Å; T275-H317 PolarHBondContact O-ND1 2.93Å; T275-H317 PolarHBondContact OG1-ND1 2.85Å; T275-A320 HydrophobicContact CG2-CB 4.47Å; T275-K321 HydrophobicContact CG2-CG 3.86Å
276K86.6Confident82.4Confident136 Ų13669.5 Ų69.559%0.59140%0.4SS*.EExtended strand (participates in β ladder)trans-132.3121.1176.7-176.4174.8-179.51750109.5L278 F288 W289K276-L278 HydrophobicContact CG-CD2 4.44Å; K276-L278 PolarHBondContact O-N 3.14Å; K276-F288 WeakPolarHBondContact O-CA 3.26Å; K276-W289 HydrophobicContact CB-CE3 4.17Å; K276-W289 PolarHBondContact N-O 3.38Å; K276-W289 PolarHBondContact O-N 2.84Å
277C85.2Confident82.6Confident50 Ų5070.6 Ų70.634%0.33840%0.4SS..EExtended strand (participates in β ladder)trans-66.8129.3172-170.80000109.5F288C277-F288 HydrophobicContact CB-CD1 4Å; C277-F288 HydrophobicContact CB-CE1 3.58Å; C277-F288 HydrophobicContact CB-CZ 4.03Å
278L82.6Confident82.7Confident71 Ų7161.5 Ų61.537%0.37236%0.36SS..EExtended strand (participates in β ladder)trans-104.9-4.5-179.8-61.2-173.5000113K276 R287 W289 L304K276-L278 HydrophobicContact CG-CD2 4.44Å; K276-L278 PolarHBondContact O-N 3.14Å; L278-R287 HydrophobicContact CB-CB 4.39Å; L278-R287 HydrophobicContact CB-CG 4.5Å; L278-R287 PolarHBondContact N-O 2.85Å; L278-W289 HydrophobicContact CD1-CB 3.97Å; L278-W289 HydrophobicContact CD2-CB 4.13Å; L278-W289 HydrophobicContact CG-CB 4.06Å; L278-L304 HydrophobicContact CD1-CD2 3.47Å; L278-L304 VanDerWaalsContact CD1-CD2 3.47Å
279G78.5Confident83.1Confident32 Ų3264.1 Ų64.133%0.3337%0.368SS..EExtended strand (participates in β ladder)trans133.1175.5178.300000114R287G279-R287 PolarHBondContact O-N 3.07Å
280I78.9Confident83.5Confident126 Ų12663.8 Ų63.865%0.64636%0.357SS*.EExtended strand (participates in β ladder)trans-103.4130.8-177.3-49.4-179.4000108.5W285I280-W285 CarbonylContact C-O 3.6Å
281G72.3Confident83.7Confident16 Ų1663.3 Ų63.317%0.16535%0.348CS..  trans-98.2176.7171.300000112W285G281-W285 PolarHBondContact N-O 3.49Å
282P66.7Low83.7Confident117 Ų11762.6 Ų62.676%0.7634%0.343SS*.G310 helixtrans-59.3148.3178.423.5-31.5000111.6W285P282-W285 VanDerWaalsContact O-CD1 3.27Å
283A71.9Confident83.6Confident91 Ų9161.3 Ų61.375%0.75234%0.336SS*.G310 helixtrans63.137177.300000116.3W285A283-W285 VanDerWaalsContact C-N 3.28Å; A283-W285 PolarHBondContact O-N 3.12Å
284G73.6Confident83.5Confident35 Ų3559.9 Ų59.936%0.36133%0.33SS..G310 helixtrans74.416.817200000114.5H286G284-H286 PolarHBondContact O-CD2 3.2Å
285W80.4Confident83.3Confident114 Ų11460.3 Ų60.343%0.43234%0.338SS..EExtended strand (participates in β ladder)trans-83.1129.2174.8-7588.8000110.7I280 G281 P282 A283 W306 V308I280-W285 CarbonylContact C-O 3.6Å; G281-W285 PolarHBondContact N-O 3.49Å; P282-W285 VanDerWaalsContact O-CD1 3.27Å; A283-W285 VanDerWaalsContact C-N 3.28Å; A283-W285 PolarHBondContact O-N 3.12Å; W285-W306 HydrophobicContact CB-CE3 3.84Å; W285-W306 HydrophobicContact CB-CZ3 4.12Å; W285-W306 HydrophobicContact CE3-CB 3.67Å; W285-W306 HydrophobicContact CZ3-CB 3.96Å; W285-V308 HydrophobicContact CD2-CG2 3.39Å; W285-V308 HydrophobicContact CE3-CG2 3.52Å; W285-V308 HydrophobicContact CG-CG2 4.07Å; W285-V308 HydrophobicContact CH2-CG2 3.64Å; W285-V308 HydrophobicContact CZ2-CG2 3.46Å; W285-V308 VanDerWaalsContact CZ2-CG2 3.46Å; W285-V308 HydrophobicContact CZ3-CG2 3.67Å
286H81.6Confident82.6Confident37 Ų3761.1 Ų61.117%0.17135%0.351CS..EExtended strand (participates in β ladder)trans-107.5131.7175.2-70.1-113.6000109.8G284 F288 W306 V307 L309G284-H286 PolarHBondContact O-CD2 3.2Å; H286-F288 HydrophobicContact CB-CD2 4.2Å; H286-F288 HydrophobicContact CB-CE2 3.52Å; H286-F288 HydrophobicContact CB-CZ 4.38Å; H286-W306 WeakPolarHBondContact O-CA 3.33Å; H286-V307 HydrophobicContact CB-CG2 4.29Å; H286-V307 PolarHBondContact N-O 2.95Å; H286-V307 PolarHBondContact O-N 3.49Å; H286-L309 HydrophobicContact CB-CD1 4.43Å; H286-L309 HydrophobicContact CB-CG 4.49Å
287R89.2Confident82.3Confident94 Ų9457.3 Ų57.336%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-94.4125.9177.7-164.4171.669.1177.9-0.2109.9L278 G279 W306L278-R287 HydrophobicContact CB-CB 4.39Å; L278-R287 HydrophobicContact CB-CG 4.5Å; L278-R287 PolarHBondContact N-O 2.85Å; G279-R287 PolarHBondContact O-N 3.07Å; R287-W306 HydrophobicContact CB-CD2 4Å; R287-W306 HydrophobicContact CB-CE3 3.69Å; R287-W306 HydrophobicContact CB-CH2 3.76Å; R287-W306 HydrophobicContact CB-CZ2 4.04Å; R287-W306 HydrophobicContact CB-CZ3 3.57Å; R287-W306 VanDerWaalsContact CD-CZ2 3.46Å; R287-W306 HydrophobicContact CG-CD2 4.03Å; R287-W306 HydrophobicContact CG-CE3 4.25Å; R287-W306 HydrophobicContact CG-CH2 4.19Å; R287-W306 HydrophobicContact CG-CZ2 3.94Å; R287-W306 HydrophobicContact CG-CZ3 4.33Å
288F87.8Confident81.6Confident3 Ų360.8 Ų60.81%0.01336%0.357CS..EExtended strand (participates in β ladder)trans-117.3137.6174.4-71-98.7000110.8K276 C277 H286 L304 I305 V307 G316 H317 A320K276-F288 WeakPolarHBondContact O-CA 3.26Å; C277-F288 HydrophobicContact CB-CD1 4Å; C277-F288 HydrophobicContact CB-CE1 3.58Å; C277-F288 HydrophobicContact CB-CZ 4.03Å; H286-F288 HydrophobicContact CB-CD2 4.2Å; H286-F288 HydrophobicContact CB-CE2 3.52Å; H286-F288 HydrophobicContact CB-CZ 4.38Å; F288-L304 WeakPolarHBondContact O-CA 3.24Å; F288-I305 HydrophobicContact CB-CG2 3.94Å; F288-I305 PolarHBondContact N-O 3.3Å; F288-I305 PolarHBondContact O-N 3.42Å; F288-V307 HydrophobicContact CD2-CG2 3.7Å; F288-V307 HydrophobicContact CE2-CG2 3.51Å; F288-G316 VanDerWaalsContact CZ-C 3.46Å; F288-G316 WeakPolarHBondContact CZ-O 3.48Å; F288-H317 AromaticContact CE1-CD2 3.84Å; F288-H317 AromaticContact CE1-CE1 3.72Å; F288-H317 AromaticContact CE1-CG 3.85Å; F288-H317 AromaticContact CE1-ND1 3.75Å; F288-H317 AromaticContact CE1-NE2 3.74Å; F288-A320 HydrophobicContact CB-CB 4.13Å; F288-A320 HydrophobicContact CD1-CB 4.11Å; F288-A320 HydrophobicContact CD2-CB 4Å; F288-A320 HydrophobicContact CE2-CB 4.44Å; F288-A320 HydrophobicContact CG-CB 3.82Å
289W90.9Very high81.3Confident89 Ų8961.9 Ų61.934%0.33737%0.367SS..EExtended strand (participates in β ladder)trans-84.3139.7154.9176.885.2000108.7L274 T275 K276 L278 Q291 G303 L304L274-W289 HydrophobicContact CB-CZ3 4.36Å; T275-W289 CarbonylContact C-O 3.52Å; T275-W289 WeakPolarHBondContact CA-O 3.32Å; K276-W289 HydrophobicContact CB-CE3 4.17Å; K276-W289 PolarHBondContact N-O 3.38Å; K276-W289 PolarHBondContact O-N 2.84Å; L278-W289 HydrophobicContact CD1-CB 3.97Å; L278-W289 HydrophobicContact CD2-CB 4.13Å; L278-W289 HydrophobicContact CG-CB 4.06Å; W289-Q291 HydrophobicContact CH2-CB 3.49Å; W289-Q291 VanDerWaalsContact CH2-CB 3.49Å; W289-Q291 HydrophobicContact CH2-CG 4.49Å; W289-Q291 VanDerWaalsContact CH2-OE1 3.31Å; W289-Q291 HydrophobicContact CZ2-CB 3.78Å; W289-Q291 HydrophobicContact CZ3-CB 4.13Å; W289-G303 WeakPolarHBondContact CA-O 3.5Å; W289-L304 HydrophobicContact CB-CD2 3.97Å
290Y90.1Very high81.6Confident23 Ų2362.9 Ų62.99%0.0937%0.368CS..EExtended strand (participates in β ladder)trans-133.6153.1175.273-91.2000111.7L274 V292 S302 G303 I305 V324L274-Y290 CarbonylContact O-C 3.43Å; L274-Y290 WeakPolarHBondContact O-CA 3.4Å; Y290-V292 HydrophobicContact CD2-CG2 4.19Å; Y290-S302 VanDerWaalsContact O-CA 3.24Å; Y290-S302 WeakPolarHBondContact O-CA 3.2Å; Y290-S302 WeakPolarHBondContact O-CB 3.35Å; Y290-G303 WeakPolarHBondContact CD1-O 3.38Å; Y290-G303 VanDerWaalsContact CE1-C 3.45Å; Y290-G303 PolarHBondContact N-O 3.45Å; Y290-G303 PolarHBondContact O-N 3.05Å; Y290-I305 HydrophobicContact CD1-CB 4.16Å; Y290-I305 HydrophobicContact CD1-CG2 4.03Å; Y290-I305 HydrophobicContact CE1-CB 4.2Å; Y290-V324 HydrophobicContact CD1-CG2 3.53Å; Y290-V324 HydrophobicContact CD2-CB 4.37Å; Y290-V324 HydrophobicContact CD2-CG1 3.55Å; Y290-V324 HydrophobicContact CD2-CG2 3.78Å; Y290-V324 HydrophobicContact CE1-CG2 3.91Å; Y290-V324 HydrophobicContact CE2-CG1 3.65Å; Y290-V324 HydrophobicContact CE2-CG2 4.13Å; Y290-V324 HydrophobicContact CG-CB 4.48Å; Y290-V324 HydrophobicContact CG-CG1 4.13Å; Y290-V324 HydrophobicContact CG-CG2 3.45Å; Y290-V324 VanDerWaalsContact CG-CG2 3.45Å
291Q88.6Confident81.9Confident51 Ų5159 Ų5924%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-139128.9164.7-179.4174.2-8.700109.3L274 W289 V293 P300 F301L274-Q291 HydrophobicContact CB-CB 4.27Å; L274-Q291 HydrophobicContact CD1-CB 4.45Å; L274-Q291 PolarHBondContact N-O 3.11Å; L274-Q291 PolarHBondContact O-N 3.28Å; W289-Q291 HydrophobicContact CH2-CB 3.49Å; W289-Q291 VanDerWaalsContact CH2-CB 3.49Å; W289-Q291 HydrophobicContact CH2-CG 4.49Å; W289-Q291 VanDerWaalsContact CH2-OE1 3.31Å; W289-Q291 HydrophobicContact CZ2-CB 3.78Å; W289-Q291 HydrophobicContact CZ3-CB 4.13Å; Q291-V293 HydrophobicContact CG-CG2 4.43Å; Q291-P300 HydrophobicContact CG-CB 4.05Å; Q291-F301 CarbonylContact C-O 3.56Å; Q291-F301 WeakPolarHBondContact CA-O 3.31Å
292V91.5Very high82.7Confident0 Ų061.8 Ų61.80%036%0.363CS..EExtended strand (participates in β ladder)trans-116.5121.2175.3-173.20000109.2P271 V272 F273 Y290 I294 P300 F301 V324 L328P271-V292 HydrophobicContact CB-CG1 3.92Å; V272-V292 VanDerWaalsContact O-CA 3.3Å; V272-V292 WeakPolarHBondContact O-CA 3.48Å; F273-V292 HydrophobicContact CD1-CG1 4.39Å; F273-V292 HydrophobicContact CD1-CG2 3.43Å; F273-V292 VanDerWaalsContact CD1-CG2 3.43Å; F273-V292 HydrophobicContact CE1-CG1 4.29Å; F273-V292 HydrophobicContact CE1-CG2 3.65Å; F273-V292 HydrophobicContact CG-CG2 4.14Å; F273-V292 HydrophobicContact CZ-CG1 4.35Å; F273-V292 HydrophobicContact CZ-CG2 4.5Å; Y290-V292 HydrophobicContact CD2-CG2 4.19Å; V292-I294 HydrophobicContact CG1-CG1 4.31Å; V292-P300 WeakPolarHBondContact O-CA 3.2Å; V292-F301 HydrophobicContact CB-CB 4.46Å; V292-F301 PolarHBondContact N-O 3.38Å; V292-F301 PolarHBondContact O-N 3Å; V292-V324 HydrophobicContact CG2-CG1 3.57Å; V292-L328 HydrophobicContact CB-CD1 3.73Å; V292-L328 HydrophobicContact CG1-CD1 3.71Å; V292-L328 HydrophobicContact CG2-CD1 3.72Å
293V88.7Confident83.6Confident57 Ų5757.2 Ų57.235%0.34534%0.337SS..EExtended strand (participates in β ladder)trans-103.1123.9176.7-174.20000108V272 Q291 P300V272-V293 PolarHBondContact N-O 2.87Å; V272-V293 PolarHBondContact O-N 2.86Å; Q291-V293 HydrophobicContact CG-CG2 4.43Å; V293-P300 HydrophobicContact CG2-CB 4.1Å
294I90.1Very high84.3Confident3 Ų357.1 Ų57.12%0.01532%0.324CS..  trans-115115172.4-53.6178.5000105.6C263 L268 P271 V292 G296 H297 F301 L332C263-I294 HydrophobicContact CB-CG2 4.43Å; L268-I294 HydrophobicContact CB-CG2 3.56Å; L268-I294 HydrophobicContact CD1-CG2 4.43Å; L268-I294 WeakPolarHBondContact O-CG2 3.3Å; P271-I294 HydrophobicContact CB-CG1 4.08Å; V292-I294 HydrophobicContact CG1-CG1 4.31Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.91Å; I294-G296 VanDerWaalsContact O-N 3.11Å; I294-H297 HydrophobicContact CB-CB 3.91Å; I294-H297 HydrophobicContact CG2-CB 4.37Å; I294-H297 PolarHBondContact O-N 3.1Å; I294-F301 HydrophobicContact CD1-CD2 4.34Å; I294-F301 HydrophobicContact CD1-CE2 3.93Å; I294-L332 HydrophobicContact CD1-CD1 4.08Å
295P84.7Confident84.8Confident95 Ų9555.7 Ų55.762%0.61731%0.308SS*.THydrogen-bonded Turntrans-51.8-37.2-169.4-31.435.9000115.9L268 S270L268-P295 WeakPolarHBondContact O-CD 3.43Å; S270-P295 WeakPolarHBondContact O-CD 3.5Å
296G74.7Confident85.1Confident43 Ų4355.9 Ų55.944%0.44331%0.309SS..THydrogen-bonded Turntrans-87.5-0178.800000114.6L268 I294L268-G296 WeakPolarHBondContact CD2-O 3.42Å; L268-G296 WeakPolarHBondContact O-CA 2.91Å; L268-G296 PolarHBondContact O-N 2.85Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.91Å; I294-G296 VanDerWaalsContact O-N 3.11Å
297H79.6Confident85.2Confident57 Ų5754.5 Ų54.526%0.26430%0.302SS..SBendtrans-100.1129.2176-166.4-89.8000110.1I294 V299 F301I294-H297 HydrophobicContact CB-CB 3.91Å; I294-H297 HydrophobicContact CG2-CB 4.37Å; I294-H297 PolarHBondContact O-N 3.1Å; H297-V299 PolarHBondContact CE1-O 2.96Å; H297-V299 PolarHBondContact ND1-O 3.33Å; H297-V299 PolarHBondContact O-N 3.08Å; H297-V299 VanDerWaalsContact O-N 3.14Å; H297-F301 AromaticContact CD2-CZ 3.97Å; H297-F301 AromaticContact CE1-CE2 3.71Å; H297-F301 AromaticContact CE1-CZ 3.37Å; H297-F301 WeakPolarHBondContact CE1-CZ 3.41Å; H297-F301 AromaticContact CG-CE2 3.84Å; H297-F301 AromaticContact ND1-CE2 3.56Å; H297-F301 AromaticContact ND1-CZ 3.74Å; H297-F301 AromaticContact NE2-CZ 3.52Å
298P71.8Confident84.9Confident122 Ų12253.1 Ų53.179%0.79230%0.304SS*.SBendtrans-68-20.1-16725.7-35.7000114.5
299V76.9Confident84.3Confident94 Ų9455 Ų5557%0.5731%0.314SS*.SBendtrans-134134.4-177.3-174.70000109.7H297H297-V299 PolarHBondContact CE1-O 2.96Å; H297-V299 PolarHBondContact ND1-O 3.33Å; H297-V299 PolarHBondContact O-N 3.08Å; H297-V299 VanDerWaalsContact O-N 3.14Å
300P82.9Confident83.3Confident54 Ų5454 Ų5435%0.35132%0.318SS..  trans-70.2143.9175.130.1-35.7000111.4Q291 V292 V293Q291-P300 HydrophobicContact CG-CB 4.05Å; V292-P300 WeakPolarHBondContact O-CA 3.2Å; V293-P300 HydrophobicContact CG2-CB 4.1Å
301F86.8Confident81.8Confident43 Ų4361.6 Ų61.619%0.18936%0.359CS..EExtended strand (participates in β ladder)trans-82127.1174.1-61.8-90.8000108.8Q291 V292 I294 H297 L328 L332Q291-F301 CarbonylContact C-O 3.56Å; Q291-F301 WeakPolarHBondContact CA-O 3.31Å; V292-F301 HydrophobicContact CB-CB 4.46Å; V292-F301 PolarHBondContact N-O 3.38Å; V292-F301 PolarHBondContact O-N 3Å; I294-F301 HydrophobicContact CD1-CD2 4.34Å; I294-F301 HydrophobicContact CD1-CE2 3.93Å; H297-F301 AromaticContact CD2-CZ 3.97Å; H297-F301 AromaticContact CE1-CE2 3.71Å; H297-F301 AromaticContact CE1-CZ 3.37Å; H297-F301 WeakPolarHBondContact CE1-CZ 3.41Å; H297-F301 AromaticContact CG-CE2 3.84Å; H297-F301 AromaticContact ND1-CE2 3.56Å; H297-F301 AromaticContact ND1-CZ 3.74Å; H297-F301 AromaticContact NE2-CZ 3.52Å; F301-L328 HydrophobicContact CB-CD2 3.58Å; F301-L328 HydrophobicContact CD1-CD2 3.43Å; F301-L328 VanDerWaalsContact CD1-CD2 3.43Å; F301-L328 HydrophobicContact CD2-CD2 3.77Å; F301-L328 HydrophobicContact CE1-CD2 4.01Å; F301-L328 HydrophobicContact CE2-CD2 4.32Å; F301-L328 HydrophobicContact CG-CD2 3.29Å; F301-L328 HydrophobicContact CZ-CD2 4.42Å; F301-L332 HydrophobicContact CZ-CD2 4.08Å
302S88.1Confident80.4Confident75 Ų7565.2 Ų65.252%0.52438%0.381SS..EExtended strand (participates in β ladder)trans-140.9152.6178.1590000111.4Y290Y290-S302 VanDerWaalsContact O-CA 3.24Å; Y290-S302 WeakPolarHBondContact O-CA 3.2Å; Y290-S302 WeakPolarHBondContact O-CB 3.35Å
303G85.1Confident78.8Confident22 Ų2268.8 Ų68.823%0.22742%0.417CS..EExtended strand (participates in β ladder)trans173.8-166.1179.600000113.7W289 Y290W289-G303 WeakPolarHBondContact CA-O 3.5Å; Y290-G303 WeakPolarHBondContact CD1-O 3.38Å; Y290-G303 VanDerWaalsContact CE1-C 3.45Å; Y290-G303 PolarHBondContact N-O 3.45Å; Y290-G303 PolarHBondContact O-N 3.05Å
304L86.7Confident77.8Confident88 Ų8870.8 Ų70.846%0.46142%0.423SS..EExtended strand (participates in β ladder)trans-113.2142174.6-62.1176.3000109.6L278 F288 W289 R327L278-L304 HydrophobicContact CD1-CD2 3.47Å; L278-L304 VanDerWaalsContact CD1-CD2 3.47Å; F288-L304 WeakPolarHBondContact O-CA 3.24Å; W289-L304 HydrophobicContact CB-CD2 3.97Å; L304-R327 PolarHBondContact O-NH1 3.43Å
305I85.7Confident77.3Confident5 Ų575 Ų753%0.02645%0.445CS..EExtended strand (participates in β ladder)trans-136.2146.7173.6-163161.6000110.1F288 Y290 A320 A323 V324F288-I305 HydrophobicContact CB-CG2 3.94Å; F288-I305 PolarHBondContact N-O 3.3Å; F288-I305 PolarHBondContact O-N 3.42Å; Y290-I305 HydrophobicContact CD1-CB 4.16Å; Y290-I305 HydrophobicContact CD1-CG2 4.03Å; Y290-I305 HydrophobicContact CE1-CB 4.2Å; I305-A320 HydrophobicContact CG2-CB 4.37Å; I305-A323 HydrophobicContact CD1-CB 3.52Å; I305-A323 HydrophobicContact CG1-CB 4.49Å; I305-V324 HydrophobicContact CB-CG2 4.5Å; I305-V324 HydrophobicContact CD1-CG2 3.91Å; I305-V324 HydrophobicContact CG2-CG2 4.06Å
306W85.3Confident77.3Confident119 Ų11970.7 Ų70.745%0.45142%0.418SS..EExtended strand (participates in β ladder)trans-109.6130.7173.4-71.8100.6000108W285 H286 R287W285-W306 HydrophobicContact CB-CE3 3.84Å; W285-W306 HydrophobicContact CB-CZ3 4.12Å; W285-W306 HydrophobicContact CE3-CB 3.67Å; W285-W306 HydrophobicContact CZ3-CB 3.96Å; H286-W306 WeakPolarHBondContact O-CA 3.33Å; R287-W306 HydrophobicContact CB-CD2 4Å; R287-W306 HydrophobicContact CB-CE3 3.69Å; R287-W306 HydrophobicContact CB-CH2 3.76Å; R287-W306 HydrophobicContact CB-CZ2 4.04Å; R287-W306 HydrophobicContact CB-CZ3 3.57Å; R287-W306 VanDerWaalsContact CD-CZ2 3.46Å; R287-W306 HydrophobicContact CG-CD2 4.03Å; R287-W306 HydrophobicContact CG-CE3 4.25Å; R287-W306 HydrophobicContact CG-CH2 4.19Å; R287-W306 HydrophobicContact CG-CZ2 3.94Å; R287-W306 HydrophobicContact CG-CZ3 4.33Å
307V84.3Confident77.7Confident7 Ų771.4 Ų71.44%0.04241%0.41CS..EExtended strand (participates in β ladder)trans-128.2144.5175.5-63.20000109.5H286 F288 L309 V319 A320 A323H286-V307 HydrophobicContact CB-CG2 4.29Å; H286-V307 PolarHBondContact N-O 2.95Å; H286-V307 PolarHBondContact O-N 3.49Å; F288-V307 HydrophobicContact CD2-CG2 3.7Å; F288-V307 HydrophobicContact CE2-CG2 3.51Å; V307-L309 HydrophobicContact CG2-CD2 4.01Å; V307-V319 HydrophobicContact CB-CG1 3.95Å; V307-V319 HydrophobicContact CG1-CG1 4.14Å; V307-V319 HydrophobicContact CG2-CG1 4.44Å; V307-A320 HydrophobicContact CG1-CB 4.37Å; V307-A323 HydrophobicContact CG1-CB 4Å
308V82.3Confident78.1Confident65 Ų6572.2 Ų72.239%0.39441%0.414SS..EExtended strand (participates in β ladder)trans-92.7129.6169.4-179.40000107W285W285-V308 HydrophobicContact CD2-CG2 3.39Å; W285-V308 HydrophobicContact CE3-CG2 3.52Å; W285-V308 HydrophobicContact CG-CG2 4.07Å; W285-V308 HydrophobicContact CH2-CG2 3.64Å; W285-V308 HydrophobicContact CZ2-CG2 3.46Å; W285-V308 VanDerWaalsContact CZ2-CG2 3.46Å; W285-V308 HydrophobicContact CZ3-CG2 3.67Å
309L75.6Confident78.8Confident42 Ų4268 Ų6822%0.2239%0.386CS..PPolyproline II helixtrans-95.1120.9171.8-54.4-175.2000107.3H286 V307 V319H286-L309 HydrophobicContact CB-CD1 4.43Å; H286-L309 HydrophobicContact CB-CG 4.49Å; V307-L309 HydrophobicContact CG2-CD2 4.01Å; L309-V319 HydrophobicContact CD2-CB 4.21Å; L309-V319 HydrophobicContact CD2-CG2 4.17Å
310T69.9Low79.2Confident68 Ų6863.5 Ų63.542%0.41736%0.359SS..PPolyproline II helixtrans-71.6159.9170.962.80000109.2D312T310-D312 WeakPolarHBondContact CB-OD2 3.43Å; T310-D312 PolarHBondContact O-N 2.74Å; T310-D312 PolarHBondContact OG1-OD2 2.76Å
311L58Low79.5Confident183 Ų18362.7 Ų62.796%0.95835%0.349SS*.THydrogen-bonded Turntrans-63.4-3-178.7-71.2164.2000113.6G313L311-G313 PolarHBondContact O-N 3.02Å; L311-G313 VanDerWaalsContact O-N 3.07Å
312D59.2Low79.6Confident128 Ų12863.6 Ų63.668%0.68436%0.357SS*.THydrogen-bonded Turntrans-80.622.1-173.4-48.4-51.1000114.1T310 Q314T310-D312 WeakPolarHBondContact CB-OD2 3.43Å; T310-D312 PolarHBondContact O-N 2.74Å; T310-D312 PolarHBondContact OG1-OD2 2.76Å; D312-Q314 PolarHBondContact O-N 3.23Å
313G59.6Low79.6Confident74 Ų7461.6 Ų61.676%0.76335%0.345SS*.THydrogen-bonded Turntrans65.322.2175.100000115L311 D315L311-G313 PolarHBondContact O-N 3.02Å; L311-G313 VanDerWaalsContact O-N 3.07Å; G313-D315 PolarHBondContact O-N 3.17Å
314Q67.3Low79.8Confident100 Ų10060.6 Ų60.647%0.46733%0.334SS..  trans-65.7132.5178-68.4-174.9-24.300111.2D312 G316 V319D312-Q314 PolarHBondContact O-N 3.23Å; Q314-G316 PolarHBondContact O-N 2.78Å; Q314-G316 VanDerWaalsContact O-N 3.12Å; Q314-V319 HydrophobicContact CB-CG2 4.01Å
315D80.1Confident80Confident90 Ų9056.4 Ų56.448%0.48131%0.312SS..  trans-64.9114172.1-175-19.1000109.3G313 H317 E318 V319G313-D315 PolarHBondContact O-N 3.17Å; D315-H317 PolarHBondContact O-N 3.37Å; D315-H317 VanDerWaalsContact O-N 3.14Å; D315-H317 VanDerWaalsContact OD1-CB 3.31Å; D315-H317 WeakPolarHBondContact OD1-CB 3.38Å; D315-H317 IonicContact OD1-CD2 2.93Å; D315-H317 IonicContact OD1-CG 2.63Å; D315-H317 PolarHBondContact OD1-N 3.49Å; D315-E318 HydrophobicContact CB-CB 4.3Å; D315-E318 HydrophobicContact CB-CG 3.94Å; D315-E318 WeakPolarHBondContact O-CB 3.27Å; D315-E318 PolarHBondContact O-N 2.83Å; D315-V319 PolarHBondContact O-N 3.38Å; D315-V319 VanDerWaalsContact O-N 3.14Å
316G82.8Confident80.1Confident6 Ų659.4 Ų59.46%0.06233%0.33CS..Hα-helixtrans-62.4-22-178.200000114.5F288 Q314 A320F288-G316 VanDerWaalsContact CZ-C 3.46Å; F288-G316 WeakPolarHBondContact CZ-O 3.48Å; Q314-G316 PolarHBondContact O-N 2.78Å; Q314-G316 VanDerWaalsContact O-N 3.12Å; G316-A320 WeakPolarHBondContact O-CB 3.47Å; G316-A320 PolarHBondContact O-N 3.4Å
317H84.3Confident80.2Confident58 Ų5859.6 Ų59.627%0.26933%0.331SS..Hα-helixtrans-69.3-38.1170.9-73-90.8000112T275 F288 D315 A320 K321T275-H317 WeakPolarHBondContact CB-ND1 3.28Å; T275-H317 PolarHBondContact O-CE1 3.18Å; T275-H317 VanDerWaalsContact O-CE1 3.28Å; T275-H317 PolarHBondContact O-ND1 2.93Å; T275-H317 PolarHBondContact OG1-ND1 2.85Å; F288-H317 AromaticContact CE1-CD2 3.84Å; F288-H317 AromaticContact CE1-CE1 3.72Å; F288-H317 AromaticContact CE1-CG 3.85Å; F288-H317 AromaticContact CE1-ND1 3.75Å; F288-H317 AromaticContact CE1-NE2 3.74Å; D315-H317 PolarHBondContact O-N 3.37Å; D315-H317 VanDerWaalsContact O-N 3.14Å; D315-H317 VanDerWaalsContact OD1-CB 3.31Å; D315-H317 WeakPolarHBondContact OD1-CB 3.38Å; D315-H317 IonicContact OD1-CD2 2.93Å; D315-H317 IonicContact OD1-CG 2.63Å; D315-H317 PolarHBondContact OD1-N 3.49Å; H317-A320 PolarHBondContact O-N 3.36Å; H317-K321 WeakPolarHBondContact O-CB 3.34Å; H317-K321 WeakPolarHBondContact O-CG 3.33Å; H317-K321 PolarHBondContact O-N 3.03Å
318E86.9Confident80.3Confident73 Ų7359.4 Ų59.434%0.34133%0.33SS..Hα-helixtrans-69.9-42.6178.4-61.9-59.9106.300110.8R256 D315 A320 K321 D322R256-E318 IonicContact CZ-OE2 3.62Å; R256-E318 VanDerWaalsContact NH1-CD 3.3Å; R256-E318 IonicContact NH1-OE1 3.29Å; R256-E318 IonicContact NH1-OE2 3.34Å; R256-E318 PolarHBondContact NH1-OE2 2.75Å; R256-E318 IonicContact NH2-OE2 3.85Å; R256-E318 PolarHBondContact NH2-OE2 3.36Å; D315-E318 HydrophobicContact CB-CB 4.3Å; D315-E318 HydrophobicContact CB-CG 3.94Å; D315-E318 WeakPolarHBondContact O-CB 3.27Å; D315-E318 PolarHBondContact O-N 2.83Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 3.03Å; E318-K321 PolarHBondContact O-N 2.83Å; E318-K321 WeakPolarHBondContact OE1-CD 3.36Å; E318-K321 IonicContact OE1-NZ 3.5Å; E318-K321 PolarHBondContact OE1-NZ 3.44Å; E318-D322 PolarHBondContact O-N 2.84Å
319V86.7Confident80.5Confident34 Ų3458 Ų5821%0.20632%0.32CS..Hα-helixtrans-61.1-42172.7-177.30000111.1V307 L309 Q314 D315 D322 A323V307-V319 HydrophobicContact CB-CG1 3.95Å; V307-V319 HydrophobicContact CG1-CG1 4.14Å; V307-V319 HydrophobicContact CG2-CG1 4.44Å; L309-V319 HydrophobicContact CD2-CB 4.21Å; L309-V319 HydrophobicContact CD2-CG2 4.17Å; Q314-V319 HydrophobicContact CB-CG2 4.01Å; D315-V319 PolarHBondContact O-N 3.38Å; D315-V319 VanDerWaalsContact O-N 3.14Å; V319-D322 PolarHBondContact O-N 3.36Å; V319-A323 WeakPolarHBondContact O-CB 3.5Å; V319-A323 PolarHBondContact O-N 3.34Å
320A85.8Confident80.8Confident0 Ų061.2 Ų61.20%033%0.334CS..Hα-helixtrans-63.2-43175.500000112T275 F288 I305 V307 G316 H317 E318 D322 A323 V324T275-A320 HydrophobicContact CG2-CB 4.47Å; F288-A320 HydrophobicContact CB-CB 4.13Å; F288-A320 HydrophobicContact CD1-CB 4.11Å; F288-A320 HydrophobicContact CD2-CB 4Å; F288-A320 HydrophobicContact CE2-CB 4.44Å; F288-A320 HydrophobicContact CG-CB 3.82Å; I305-A320 HydrophobicContact CG2-CB 4.37Å; V307-A320 HydrophobicContact CG1-CB 4.37Å; G316-A320 WeakPolarHBondContact O-CB 3.47Å; G316-A320 PolarHBondContact O-N 3.4Å; H317-A320 PolarHBondContact O-N 3.36Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 3.03Å; A320-D322 PolarHBondContact O-N 2.89Å; A320-A323 PolarHBondContact O-N 3.34Å; A320-V324 WeakPolarHBondContact O-CB 3.49Å; A320-V324 WeakPolarHBondContact O-CG2 3.34Å; A320-V324 PolarHBondContact O-N 3Å
321K90.2Very high81.2Confident36 Ų3659.6 Ų59.616%0.15733%0.327CS..Hα-helixtrans-63.3-40.4177-71.7168.7-171.2166.80111.8F273 T275 H317 E318 S325F273-K321 HydrophobicContact CB-CD 4.03Å; F273-K321 HydrophobicContact CB-CG 3.8Å; F273-K321 HydrophobicContact CD1-CB 4.03Å; F273-K321 HydrophobicContact CD1-CG 3.91Å; F273-K321 HydrophobicContact CE1-CB 4.41Å; F273-K321 HydrophobicContact CG-CB 4.39Å; F273-K321 HydrophobicContact CG-CD 4.44Å; F273-K321 HydrophobicContact CG-CG 3.99Å; T275-K321 HydrophobicContact CG2-CG 3.86Å; H317-K321 WeakPolarHBondContact O-CB 3.34Å; H317-K321 WeakPolarHBondContact O-CG 3.33Å; H317-K321 PolarHBondContact O-N 3.03Å; E318-K321 PolarHBondContact O-N 2.83Å; E318-K321 WeakPolarHBondContact OE1-CD 3.36Å; E318-K321 IonicContact OE1-NZ 3.5Å; E318-K321 PolarHBondContact OE1-NZ 3.44Å; K321-S325 WeakPolarHBondContact O-CB 3.46Å; K321-S325 PolarHBondContact O-N 2.89Å; K321-S325 PolarHBondContact O-OG 3.48Å
322D88.6Confident82.1Confident63 Ų6351.2 Ų51.234%0.33728%0.283SS..Hα-helixtrans-64.6-47.3175-89.5-19.5000112R256 E318 V319 A320 V324 S325 V326R256-D322 WeakPolarHBondContact CD-OD1 3.36Å; R256-D322 WeakPolarHBondContact CG-OD1 3.25Å; R256-D322 PolarHBondContact N-OD1 3.02Å; E318-D322 PolarHBondContact O-N 2.84Å; V319-D322 PolarHBondContact O-N 3.36Å; A320-D322 PolarHBondContact O-N 2.89Å; D322-V324 VanDerWaalsContact C-N 3.32Å; D322-V324 PolarHBondContact O-N 3.32Å; D322-S325 WeakPolarHBondContact O-CB 3.31Å; D322-S325 PolarHBondContact O-N 2.73Å; D322-V326 PolarHBondContact O-N 3.03Å; D322-V326 VanDerWaalsContact O-N 3.08Å
323A87.9Confident82.6Confident33 Ų3348.6 Ų48.627%0.27328%0.275SS..Hα-helixtrans-63.5-37.217800000112.5I305 V307 V319 A320 S325 R327I305-A323 HydrophobicContact CD1-CB 3.52Å; I305-A323 HydrophobicContact CG1-CB 4.49Å; V307-A323 HydrophobicContact CG1-CB 4Å; V319-A323 WeakPolarHBondContact O-CB 3.5Å; V319-A323 PolarHBondContact O-N 3.34Å; A320-A323 PolarHBondContact O-N 3.34Å; A323-S325 VanDerWaalsContact C-N 3.34Å; A323-R327 PolarHBondContact O-N 2.96Å
324V89.5Confident82.6Confident0 Ų051.9 Ų51.90%027%0.27CS..Hα-helixtrans-65.2-39.3172170.70000110.9F273 Y290 V292 I305 A320 D322 V326 R327 L328F273-V324 HydrophobicContact CD1-CG1 4.39Å; F273-V324 HydrophobicContact CE1-CB 4.41Å; F273-V324 HydrophobicContact CE1-CG1 4.06Å; Y290-V324 HydrophobicContact CD1-CG2 3.53Å; Y290-V324 HydrophobicContact CD2-CB 4.37Å; Y290-V324 HydrophobicContact CD2-CG1 3.55Å; Y290-V324 HydrophobicContact CD2-CG2 3.78Å; Y290-V324 HydrophobicContact CE1-CG2 3.91Å; Y290-V324 HydrophobicContact CE2-CG1 3.65Å; Y290-V324 HydrophobicContact CE2-CG2 4.13Å; Y290-V324 HydrophobicContact CG-CB 4.48Å; Y290-V324 HydrophobicContact CG-CG1 4.13Å; Y290-V324 HydrophobicContact CG-CG2 3.45Å; Y290-V324 VanDerWaalsContact CG-CG2 3.45Å; V292-V324 HydrophobicContact CG2-CG1 3.57Å; I305-V324 HydrophobicContact CB-CG2 4.5Å; I305-V324 HydrophobicContact CD1-CG2 3.91Å; I305-V324 HydrophobicContact CG2-CG2 4.06Å; A320-V324 WeakPolarHBondContact O-CB 3.49Å; A320-V324 WeakPolarHBondContact O-CG2 3.34Å; A320-V324 PolarHBondContact O-N 3Å; D322-V324 VanDerWaalsContact C-N 3.32Å; D322-V324 PolarHBondContact O-N 3.32Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 PolarHBondContact O-N 3.24Å; V324-R327 PolarHBondContact O-N 2.86Å; V324-L328 HydrophobicContact CG1-CD1 3.94Å; V324-L328 HydrophobicContact CG1-CG 4.26Å; V324-L328 WeakPolarHBondContact O-CG 3.34Å; V324-L328 PolarHBondContact O-N 3.14Å
325S90.3Very high81.9Confident0 Ų050.3 Ų50.30%027%0.271CS..Hα-helixtrans-63.1-39.6179.4-59.60000112.5R256 F273 K321 D322 A323 R327 L328 L329R256-S325 WeakPolarHBondContact CG-OG 3.49Å; F273-S325 WeakPolarHBondContact CE1-OG 3.4Å; F273-S325 WeakPolarHBondContact CZ-OG 3.25Å; K321-S325 WeakPolarHBondContact O-CB 3.46Å; K321-S325 PolarHBondContact O-N 2.89Å; K321-S325 PolarHBondContact O-OG 3.48Å; D322-S325 WeakPolarHBondContact O-CB 3.31Å; D322-S325 PolarHBondContact O-N 2.73Å; A323-S325 VanDerWaalsContact C-N 3.34Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-R327 PolarHBondContact O-N 3.36Å; S325-L328 PolarHBondContact O-N 3.31Å; S325-L329 WeakPolarHBondContact O-CB 3.32Å; S325-L329 VanDerWaalsContact O-CG 3.32Å; S325-L329 WeakPolarHBondContact O-CG 3.15Å; S325-L329 PolarHBondContact O-N 3Å
326V88.4Confident80.5Confident69 Ų6947.1 Ų47.142%0.41826%0.258SS..Hα-helixtrans-59.2-45.3173.5176.70000111.2A255 D322 V324 L328 L329 Q330A255-V326 HydrophobicContact CB-CG2 3.52Å; D322-V326 PolarHBondContact O-N 3.03Å; D322-V326 VanDerWaalsContact O-N 3.08Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 PolarHBondContact O-N 3.24Å; V326-L328 VanDerWaalsContact C-N 3.35Å; V326-L328 PolarHBondContact O-N 3.49Å; V326-L329 PolarHBondContact O-N 3.28Å; V326-Q330 PolarHBondContact O-N 3.14Å
327R86Confident78.4Confident122 Ų12249.8 Ų49.846%0.4628%0.28SS..Hα-helixtrans-64-39177.7-72.9-173.7172.5-179.2-1.2112.5L304 A323 V324 S325 Q330 A331L304-R327 PolarHBondContact O-NH1 3.43Å; A323-R327 PolarHBondContact O-N 2.96Å; V324-R327 PolarHBondContact O-N 2.86Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-R327 PolarHBondContact O-N 3.36Å; R327-Q330 PolarHBondContact O-N 3.1Å; R327-A331 PolarHBondContact O-N 3.4Å
328L86.1Confident76Confident4 Ų451.5 Ų51.52%0.02130%0.298CS..Hα-helixtrans-70.9-36.7179-69.3177.7000112.6L259 V292 F301 V324 S325 V326 Q330 A331 L332L259-L328 HydrophobicContact CD1-CB 3.78Å; L259-L328 HydrophobicContact CD2-CB 4.11Å; L259-L328 HydrophobicContact CD2-CD1 3.85Å; V292-L328 HydrophobicContact CB-CD1 3.73Å; V292-L328 HydrophobicContact CG1-CD1 3.71Å; V292-L328 HydrophobicContact CG2-CD1 3.72Å; F301-L328 HydrophobicContact CB-CD2 3.58Å; F301-L328 HydrophobicContact CD1-CD2 3.43Å; F301-L328 VanDerWaalsContact CD1-CD2 3.43Å; F301-L328 HydrophobicContact CD2-CD2 3.77Å; F301-L328 HydrophobicContact CE1-CD2 4.01Å; F301-L328 HydrophobicContact CE2-CD2 4.32Å; F301-L328 HydrophobicContact CG-CD2 3.29Å; F301-L328 HydrophobicContact CZ-CD2 4.42Å; V324-L328 HydrophobicContact CG1-CD1 3.94Å; V324-L328 HydrophobicContact CG1-CG 4.26Å; V324-L328 WeakPolarHBondContact O-CG 3.34Å; V324-L328 PolarHBondContact O-N 3.14Å; S325-L328 PolarHBondContact O-N 3.31Å; V326-L328 VanDerWaalsContact C-N 3.35Å; V326-L328 PolarHBondContact O-N 3.49Å; L328-Q330 VanDerWaalsContact C-N 3.28Å; L328-Q330 PolarHBondContact O-N 3.28Å; L328-A331 PolarHBondContact O-N 3.05Å; L328-L332 WeakPolarHBondContact O-CB 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.44Å; L328-L332 PolarHBondContact O-N 3.26Å
329L86.6Confident73.5Confident34 Ų3454.7 Ų54.718%0.17832%0.317CS..Hα-helixtrans-59.6-40.7173.4-77168.3000111.6T258 L259 L262 S325 V326 S333T258-L329 HydrophobicContact CG2-CD1 3.87Å; T258-L329 HydrophobicContact CG2-CD2 3.99Å; L259-L329 HydrophobicContact CB-CD1 4.49Å; L259-L329 HydrophobicContact CB-CD2 4.16Å; L259-L329 HydrophobicContact CB-CG 4.12Å; L259-L329 HydrophobicContact CD1-CD2 3.99Å; L259-L329 HydrophobicContact CD1-CG 4.01Å; L262-L329 HydrophobicContact CB-CD2 4.24Å; L262-L329 HydrophobicContact CD2-CD2 3.73Å; S325-L329 WeakPolarHBondContact O-CB 3.32Å; S325-L329 VanDerWaalsContact O-CG 3.32Å; S325-L329 WeakPolarHBondContact O-CG 3.15Å; S325-L329 PolarHBondContact O-N 3Å; V326-L329 PolarHBondContact O-N 3.28Å; L329-S333 VanDerWaalsContact O-CB 3.28Å; L329-S333 WeakPolarHBondContact O-CB 3.29Å; L329-S333 PolarHBondContact O-N 2.63Å; L329-S333 PolarHBondContact O-OG 3.32Å
330Q81.8Confident70.9Confident111 Ų11160 Ų6052%0.51934%0.344SS..Hα-helixtrans-63.9-48.9173.4-68.9172.7-20.500111.3V326 R327 L328 L332 S333 E334V326-Q330 PolarHBondContact O-N 3.14Å; R327-Q330 PolarHBondContact O-N 3.1Å; L328-Q330 VanDerWaalsContact C-N 3.28Å; L328-Q330 PolarHBondContact O-N 3.28Å; Q330-L332 PolarHBondContact O-N 2.93Å; Q330-S333 PolarHBondContact O-N 2.8Å; Q330-S333 PolarHBondContact O-OG 2.77Å; Q330-E334 WeakPolarHBondContact O-CG 3.32Å; Q330-E334 PolarHBondContact O-N 2.96Å
331A78.4Confident68.2Low33 Ų3371 Ų7127%0.27339%0.385SS..Hα-helixtrans-64.5-38.3-178.800000114.1R327 L328 S335R327-A331 PolarHBondContact O-N 3.4Å; L328-A331 PolarHBondContact O-N 3.05Å; A331-S335 PolarHBondContact O-N 3.48Å; A331-S335 PolarHBondContact O-OG 3.22Å; A331-S335 VanDerWaalsContact O-OG 3.05Å
332L77.3Confident65.4Low8 Ų874.6 Ų74.64%0.04242%0.415CS..Hα-helixtrans-77-32.6179.5-68.9174000112.3L259 L262 M266 I294 F301 L328 Q330 S335 G336L259-L332 HydrophobicContact CD1-CD1 3.77Å; L262-L332 HydrophobicContact CD2-CB 3.92Å; L262-L332 HydrophobicContact CD2-CD1 4.28Å; M266-L332 HydrophobicContact CE-CB 4.23Å; M266-L332 HydrophobicContact CE-CD1 4.45Å; M266-L332 HydrophobicContact CE-CD2 4.26Å; I294-L332 HydrophobicContact CD1-CD1 4.08Å; F301-L332 HydrophobicContact CZ-CD2 4.08Å; L328-L332 WeakPolarHBondContact O-CB 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.44Å; L328-L332 PolarHBondContact O-N 3.26Å; Q330-L332 PolarHBondContact O-N 2.93Å; L332-S335 PolarHBondContact O-N 3.47Å; L332-G336 PolarHBondContact O-N 3.44Å
333S69.4Low62.8Low72 Ų7276.2 Ų76.250%0.50344%0.438SS..Hα-helixtrans-70.1-37.717455.80000112.3L329 Q330 G336 A337L329-S333 VanDerWaalsContact O-CB 3.28Å; L329-S333 WeakPolarHBondContact O-CB 3.29Å; L329-S333 PolarHBondContact O-N 2.63Å; L329-S333 PolarHBondContact O-OG 3.32Å; Q330-S333 PolarHBondContact O-N 2.8Å; Q330-S333 PolarHBondContact O-OG 2.77Å; S333-G336 PolarHBondContact O-N 3.19Å; S333-A337 PolarHBondContact O-N 3.47Å
334E59.4Low60Low144 Ų14478.5 Ų78.567%0.67346%0.464SS*.Hα-helixtrans-65.6-38.1173-72.4174.2-173.400112.4Q330Q330-E334 WeakPolarHBondContact O-CG 3.32Å; Q330-E334 PolarHBondContact O-N 2.96Å
335S54.3Low57Low67 Ų6782.8 Ų82.847%0.46950%0.5SS..Hα-helixtrans-72.4-31176.3-63.30000112.9A331 L332 S338A331-S335 PolarHBondContact O-N 3.48Å; A331-S335 PolarHBondContact O-OG 3.22Å; A331-S335 VanDerWaalsContact O-OG 3.05Å; L332-S335 PolarHBondContact O-N 3.47Å; S335-S338 PolarHBondContact O-N 3.38Å
336G50.3Low54.1Low22 Ų2291.8 Ų91.823%0.22754%0.542CS..Hα-helixtrans-67.7-32.2174.800000113.6L332 S333 S338 L339 L340L332-G336 PolarHBondContact O-N 3.44Å; S333-G336 PolarHBondContact O-N 3.19Å; G336-S338 VanDerWaalsContact C-N 3.27Å; G336-S338 PolarHBondContact O-N 3.26Å; G336-L339 PolarHBondContact O-N 2.99Å; G336-L340 PolarHBondContact O-N 3.14Å
337A39Very low51.2Low63 Ų6393.4 Ų93.452%0.52156%0.562SS.*Hα-helixtrans-66.6-28.4174.700000112.8S333 L339S333-A337 PolarHBondContact O-N 3.47Å; A337-L339 VanDerWaalsContact C-N 3.34Å
338S33.6Very low48.2Very low93 Ų9391 Ų9165%0.6558%0.575SS**Hα-helixtrans-77.6-17.6176.9-171.10000113.7S335 G336S335-S338 PolarHBondContact O-N 3.38Å; G336-S338 VanDerWaalsContact C-N 3.27Å; G336-S338 PolarHBondContact O-N 3.26Å
339L33.9Very low45.2Very low141 Ų14197.8 Ų97.874%0.73862%0.617SS**Hα-helixtrans-94.6-15.6-179.2-79.2161000113.1G336 A337G336-L339 PolarHBondContact O-N 2.99Å; A337-L339 VanDerWaalsContact C-N 3.34Å
340L32Very low42.2Very low146 Ų146104 Ų10476%0.76465%0.647SS**THydrogen-bonded Turntrans-87.1-2.8179.9-75.9164.2000114.2G336G336-L340 PolarHBondContact O-N 3.14Å
341W29Very low39.3Very low229 Ų229103.9 Ų103.987%0.86765%0.653SS**THydrogen-bonded Turntrans-103.814179.4-126.3-72.2000114.8
342S31Very low36.8Very low113 Ų113111.7 Ų111.779%0.7968%0.681SS**SBendtrans-126.323.3178.9-63.30000114.4
343A34.1Very low34.7Very low97 Ų97123.5 Ų123.580%0.80274%0.736SS**SBendtrans-133.692.6170.400000110.2
344G29.9Very low33Very low80 Ų80126.1 Ų126.183%0.82575%0.748SS**  trans15579.6168.900000115
345A26.5Very low31.6Very low91 Ų91125.1 Ų125.175%0.75275%0.752SS**  trans-175.780.2149.100000107.2
346E28.5Very low30.3Very low189 Ų189128.3 Ų128.388%0.88377%0.767SS**  77.496.5111.8-72.5-167.2141.100112.7
347A28.6Very low29.1Very low103 Ų103134.6 Ų134.685%0.85180%0.799SS**  67.689.68100000112.3
348G23.1Very low28.5Very low70 Ų70139.1 Ų139.172%0.72282%0.817SS**  trans-107.8128.6153.400000108.5
349T23.6Very low28.2Very low147 Ų147142.1 Ų142.190%0.90283%0.828SS**  -177128116-62.50000110
350M21.7Very low27.8Very low166 Ų166142.2 Ų142.282%0.81883%0.834SS**  trans-51.6160.5170-73.3161.652.100114.7
351V22.3Very low27.4Very low107 Ų107141.9 Ų141.965%0.64884%0.839SS**  164.3129.3101.4161.30000111.3
352K25.8Very low27.3Very low197 Ų197134.7 Ų134.786%0.85784%0.837SS**  trans44.9140.4149.7-66.6171.4177.9179.30119.2
353Q32.5Very low27Very low256 Ų256136.6 Ų136.6100%1.19684%0.841SS**  cis-151.1029.4-149.6174.97.800109.8

Retrieved 353 of 353 residues in 149.9 ms (Link to these results)