A0A060GU49_MOUSE Loading...

Testis-expressed Y open reading frame 1

AlphaFold DB , UniProt , Accession A0A060GU49, Species MOUSE (Mus musculus, Mouse), Gene Teyorf1, Length 233 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
1M49.1Very low51.5Low204 Ų204133.4 Ų133.4100%1.00563%0.632SS**  0-52.50-147.7167.7179.600112.7K3 F4 T5M1-K3 PolarHBondContact O-N 3.03Å; M1-F4 PolarHBondContact O-N 2.99Å; M1-F4 VanDerWaalsContact O-N 3.16Å; M1-T5 PolarHBondContact O-N 2.84Å; M1-T5 PolarHBondContact O-OG1 3.13Å
2Y41.1Very low53.4Low211 Ų211126.3 Ų126.383%0.82761%0.613SS**Hα-helixtrans-56.8-36.9177.9-80.9-86.1000116.3F4 T5 Y6Y2-F4 VanDerWaalsContact C-N 3.3Å; Y2-F4 PolarHBondContact O-N 2.61Å; Y2-T5 PolarHBondContact O-OG1 2.99Å; Y2-T5 VanDerWaalsContact O-OG1 3.1Å; Y2-Y6 PolarHBondContact O-N 3.38Å
3K41.8Very low55.1Low176 Ų176123.2 Ų123.277%0.76560%0.597SS**Hα-helixtrans-69.9-27179.1-153.4173.6-175.1179.10112.9M1 N7M1-K3 PolarHBondContact O-N 3.03Å; K3-N7 PolarHBondContact O-N 3.32Å
4F43.3Very low56.9Low152 Ų152120 Ų12067%0.66759%0.588SS**Hα-helixtrans-79.8-41.4-179.3-157.6-93000111.3M1 Y2 N7 M8M1-F4 PolarHBondContact O-N 2.99Å; M1-F4 VanDerWaalsContact O-N 3.16Å; Y2-F4 VanDerWaalsContact C-N 3.3Å; Y2-F4 PolarHBondContact O-N 2.61Å; F4-N7 PolarHBondContact O-N 3.16Å; F4-M8 HydrophobicContact CD1-CG 4.45Å; F4-M8 HydrophobicContact CD1-SD 3.88Å; F4-M8 HydrophobicContact CE1-CG 4.42Å; F4-M8 HydrophobicContact CE1-SD 3.72Å; F4-M8 PolarHBondContact O-N 3.02Å
5T46.1Very low58.6Low84 Ų84119.7 Ų119.752%0.51558%0.583SS.*Hα-helixtrans-68.3-36.5175.637.90000113M1 Y2 K9M1-T5 PolarHBondContact O-N 2.84Å; M1-T5 PolarHBondContact O-OG1 3.13Å; Y2-T5 PolarHBondContact O-OG1 2.99Å; Y2-T5 VanDerWaalsContact O-OG1 3.1Å; T5-K9 WeakPolarHBondContact O-CB 3.22Å; T5-K9 PolarHBondContact O-N 2.85Å
6Y43.3Very low60.1Low167 Ų167114.1 Ų114.166%0.65556%0.555SS**Hα-helixtrans-63.6-46.3173.1-178.5-97.1000112.3Y2 M8 K9 S10Y2-Y6 PolarHBondContact O-N 3.38Å; Y6-M8 PolarHBondContact O-N 2.87Å; Y6-K9 PolarHBondContact O-N 2.98Å; Y6-S10 WeakPolarHBondContact O-CB 3.16Å; Y6-S10 PolarHBondContact O-N 3.28Å
7N51.8Low61.5Low102 Ų102112.1 Ų112.155%0.54554%0.54SS..Hα-helixtrans-63.3-38.1177.5-85.5-11.5000112.7K3 F4 S11K3-N7 PolarHBondContact O-N 3.32Å; F4-N7 PolarHBondContact O-N 3.16Å; N7-S11 WeakPolarHBondContact O-CB 3.49Å; N7-S11 PolarHBondContact O-N 3.38Å
8M55.2Low63Low125 Ų125110.9 Ų110.962%0.61654%0.536SS*.Hα-helixtrans-66.7-40.9175.1-77.1-179.585.600112.5F4 Y6 S11 A12F4-M8 HydrophobicContact CD1-CG 4.45Å; F4-M8 HydrophobicContact CD1-SD 3.88Å; F4-M8 HydrophobicContact CE1-CG 4.42Å; F4-M8 HydrophobicContact CE1-SD 3.72Å; F4-M8 PolarHBondContact O-N 3.02Å; Y6-M8 PolarHBondContact O-N 2.87Å; M8-S11 PolarHBondContact O-N 3.14Å; M8-A12 PolarHBondContact O-N 3.12Å
9K60.4Low64.3Low137 Ų137108.1 Ų108.160%0.59652%0.521SS*.Hα-helixtrans-66.6-44.7178.5-171.2176.1178.6-177.60111.8T5 Y6 S11 A12 E13T5-K9 WeakPolarHBondContact O-CB 3.22Å; T5-K9 PolarHBondContact O-N 2.85Å; Y6-K9 PolarHBondContact O-N 2.98Å; K9-S11 VanDerWaalsContact C-N 3.35Å; K9-S11 PolarHBondContact O-N 2.93Å; K9-A12 PolarHBondContact O-N 3.37Å; K9-E13 VanDerWaalsContact CE-OE1 3.31Å; K9-E13 WeakPolarHBondContact CE-OE1 3.25Å; K9-E13 WeakPolarHBondContact O-CG 3.05Å; K9-E13 PolarHBondContact O-N 3.3Å; K9-E13 VanDerWaalsContact O-N 3.07Å
10S64.7Low65.6Low51 Ų51103.7 Ų103.736%0.35750%0.499SS..Hα-helixtrans-61.1-41.4174.8173.50000112Y6 A12 E13 V14Y6-S10 WeakPolarHBondContact O-CB 3.16Å; Y6-S10 PolarHBondContact O-N 3.28Å; S10-A12 PolarHBondContact O-N 3.3Å; S10-E13 PolarHBondContact O-N 3.25Å; S10-V14 VanDerWaalsContact O-CG2 3.23Å; S10-V14 WeakPolarHBondContact O-CG2 3.14Å; S10-V14 PolarHBondContact O-N 3.06Å
11S70.3Confident66.9Low58 Ų58102.8 Ų102.841%0.40650%0.496SS..Hα-helixtrans-65.5-37.7177.2-174.80000113.2N7 M8 K9 K15N7-S11 WeakPolarHBondContact O-CB 3.49Å; N7-S11 PolarHBondContact O-N 3.38Å; M8-S11 PolarHBondContact O-N 3.14Å; K9-S11 VanDerWaalsContact C-N 3.35Å; K9-S11 PolarHBondContact O-N 2.93Å; S11-K15 WeakPolarHBondContact O-CG 3.39Å; S11-K15 PolarHBondContact O-N 2.94Å; S11-K15 VanDerWaalsContact O-N 3.15Å
12A73.5Confident68.9Low49 Ų4995.3 Ų95.341%0.40546%0.462SS..Hα-helixtrans-68-45.3177.300000111.9M8 K9 S10 V14 K15 E16M8-A12 PolarHBondContact O-N 3.12Å; K9-A12 PolarHBondContact O-N 3.37Å; S10-A12 PolarHBondContact O-N 3.3Å; A12-V14 VanDerWaalsContact C-N 3.34Å; A12-V14 PolarHBondContact O-N 3Å; A12-K15 PolarHBondContact O-N 2.72Å; A12-E16 PolarHBondContact O-N 2.69Å; A12-E16 VanDerWaalsContact O-N 3.08Å
13E76.3Confident71.5Confident86 Ų8685.4 Ų85.440%0.40242%0.423SS..Hα-helixtrans-61.7-40.9177.2-71.6176.6-171.600111.7K9 S10 K15 E16 W17K9-E13 VanDerWaalsContact CE-OE1 3.31Å; K9-E13 WeakPolarHBondContact CE-OE1 3.25Å; K9-E13 WeakPolarHBondContact O-CG 3.05Å; K9-E13 PolarHBondContact O-N 3.3Å; K9-E13 VanDerWaalsContact O-N 3.07Å; S10-E13 PolarHBondContact O-N 3.25Å; E13-K15 PolarHBondContact O-N 3.21Å; E13-E16 PolarHBondContact O-N 3.24Å; E13-W17 PolarHBondContact O-N 2.89Å; E13-W17 VanDerWaalsContact O-N 3.15Å
14V79.9Confident74Confident78 Ų7878.2 Ų78.247%0.47339%0.393SS..Hα-helixtrans-63.2-40.7176171.10000111.7S10 A12 W17 I18S10-V14 VanDerWaalsContact O-CG2 3.23Å; S10-V14 WeakPolarHBondContact O-CG2 3.14Å; S10-V14 PolarHBondContact O-N 3.06Å; A12-V14 VanDerWaalsContact C-N 3.34Å; A12-V14 PolarHBondContact O-N 3Å; V14-W17 PolarHBondContact O-N 3.07Å; V14-I18 HydrophobicContact CG1-CD1 3.85Å; V14-I18 HydrophobicContact CG1-CG1 4.47Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.36Å; V14-I18 PolarHBondContact O-N 3.42Å
15K81.9Confident76.5Confident116 Ų11676.4 Ų76.450%0.50439%0.39SS..Hα-helixtrans-63.7-45177.3-74.7176.1-177.3-175.30112.2S11 A12 E13 W17 I18 F19S11-K15 WeakPolarHBondContact O-CG 3.39Å; S11-K15 PolarHBondContact O-N 2.94Å; S11-K15 VanDerWaalsContact O-N 3.15Å; A12-K15 PolarHBondContact O-N 2.72Å; E13-K15 PolarHBondContact O-N 3.21Å; K15-W17 VanDerWaalsContact C-N 3.28Å; K15-W17 PolarHBondContact O-N 3.28Å; K15-I18 PolarHBondContact O-N 3.38Å; K15-F19 HydrophobicContact CB-CE2 4.39Å; K15-F19 WeakPolarHBondContact O-CD2 2.73Å; K15-F19 PolarHBondContact O-N 2.9Å
16E82.9Confident78.9Confident29 Ų2973.1 Ų73.114%0.13637%0.37CS..Hα-helixtrans-55.1-45.3174.5-69.7-175.3-168.800110.9A12 E13 I18 F19 R20 L213 K217A12-E16 PolarHBondContact O-N 2.69Å; A12-E16 VanDerWaalsContact O-N 3.08Å; E13-E16 PolarHBondContact O-N 3.24Å; E16-I18 PolarHBondContact O-N 3.03Å; E16-F19 PolarHBondContact O-N 3.48Å; E16-R20 WeakPolarHBondContact O-CG 3.12Å; E16-R20 PolarHBondContact O-N 2.89Å; E16-R20 VanDerWaalsContact O-N 3.12Å; E16-R20 IonicContact OE2-NH2 2.98Å; E16-R20 PolarHBondContact OE2-NH2 3.01Å; E16-L213 HydrophobicContact CG-CD1 3.67Å; E16-K217 IonicContact OE1-NZ 3.34Å; E16-K217 PolarHBondContact OE1-NZ 3Å; E16-K217 VanDerWaalsContact OE1-NZ 3.12Å; E16-K217 IonicContact OE2-NZ 3.12Å
17W84.5Confident81.4Confident80 Ų8065.1 Ų65.130%0.30334%0.339SS..Hα-helixtrans-63-41.4177.1-84.5109.4000113.7E13 V14 K15 F19 R20 L21 I119 W123E13-W17 PolarHBondContact O-N 2.89Å; E13-W17 VanDerWaalsContact O-N 3.15Å; V14-W17 PolarHBondContact O-N 3.07Å; K15-W17 VanDerWaalsContact C-N 3.28Å; K15-W17 PolarHBondContact O-N 3.28Å; W17-F19 VanDerWaalsContact C-N 3.34Å; W17-F19 PolarHBondContact O-N 3.3Å; W17-R20 PolarHBondContact O-N 3.33Å; W17-L21 WeakPolarHBondContact O-CB 3.35Å; W17-L21 WeakPolarHBondContact O-CG 3.2Å; W17-L21 PolarHBondContact O-N 2.8Å; W17-I119 HydrophobicContact CH2-CG2 4.29Å; W17-I119 HydrophobicContact CZ3-CG2 3.78Å; W17-W123 HydrophobicContact CH2-CB 4.06Å; W17-W123 HydrophobicContact CH2-CD2 4.28Å; W17-W123 AromaticContact CH2-CE3 3.73Å; W17-W123 HydrophobicContact CH2-CE3 3.73Å; W17-W123 HydrophobicContact CH2-CG 4.47Å; W17-W123 HydrophobicContact CZ3-CE3 4.18Å
18I87.4Confident83.6Confident92 Ų9264.9 Ų64.947%0.47233%0.333SS..Hα-helixtrans-61.3-44.3176.9-69.8165.5000110.5V14 K15 E16 L21 T22V14-I18 HydrophobicContact CG1-CD1 3.85Å; V14-I18 HydrophobicContact CG1-CG1 4.47Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.36Å; V14-I18 PolarHBondContact O-N 3.42Å; K15-I18 PolarHBondContact O-N 3.38Å; E16-I18 PolarHBondContact O-N 3.03Å; I18-L21 PolarHBondContact O-N 3.27Å; I18-T22 VanDerWaalsContact O-CB 3.25Å; I18-T22 WeakPolarHBondContact O-CB 3.47Å; I18-T22 PolarHBondContact O-N 3.44Å; I18-T22 PolarHBondContact O-OG1 3.12Å
19F88.9Confident85.6Confident56 Ų5663.9 Ų63.925%0.24633%0.328CS..Hα-helixtrans-64.5-44.5-179.5-75.1-60.4000112.5K15 E16 W17 T22 S23 M206 Y209K15-F19 HydrophobicContact CB-CE2 4.39Å; K15-F19 WeakPolarHBondContact O-CD2 2.73Å; K15-F19 PolarHBondContact O-N 2.9Å; E16-F19 PolarHBondContact O-N 3.48Å; W17-F19 VanDerWaalsContact C-N 3.34Å; W17-F19 PolarHBondContact O-N 3.3Å; F19-T22 PolarHBondContact O-N 2.99Å; F19-S23 WeakPolarHBondContact O-CB 3.45Å; F19-S23 PolarHBondContact O-N 3.23Å; F19-M206 HydrophobicContact CD1-CE 3.85Å; F19-M206 HydrophobicContact CD1-CG 4.35Å; F19-M206 HydrophobicContact CD1-SD 3.34Å; F19-M206 WeakPolarHBondContact CD1-SD 3.48Å; F19-M206 HydrophobicContact CE1-CE 3.95Å; F19-M206 HydrophobicContact CE1-SD 3.71Å; F19-M206 HydrophobicContact CG-SD 4.47Å; F19-Y209 HydrophobicContact CB-CD1 4.39Å; F19-Y209 AromaticContact CD2-CD1 3.63Å; F19-Y209 HydrophobicContact CD2-CD1 3.63Å; F19-Y209 AromaticContact CD2-CE1 3.34Å; F19-Y209 HydrophobicContact CD2-CE1 3.34Å; F19-Y209 AromaticContact CE2-CD1 3.96Å; F19-Y209 HydrophobicContact CE2-CD1 3.96Å; F19-Y209 AromaticContact CE2-CE1 3.42Å; F19-Y209 HydrophobicContact CE2-CE1 3.42Å; F19-Y209 VanDerWaalsContact CE2-CE1 3.42Å; F19-Y209 AromaticContact CE2-CZ 3.92Å; F19-Y209 AromaticContact CG-CD1 3.95Å; F19-Y209 HydrophobicContact CG-CD1 3.95Å; F19-Y209 HydrophobicContact CG-CE1 4.14Å; F19-Y209 HydrophobicContact CZ-CE1 4.25Å
20R90.4Very high87.3Confident21 Ų2157.5 Ų57.58%0.07930%0.3CS..Hα-helixtrans-60-49.6175.6-70.5177.6-171.2150.716.1112.5E16 W17 S23 L24 I119 C122 E210E16-R20 WeakPolarHBondContact O-CG 3.12Å; E16-R20 PolarHBondContact O-N 2.89Å; E16-R20 VanDerWaalsContact O-N 3.12Å; E16-R20 IonicContact OE2-NH2 2.98Å; E16-R20 PolarHBondContact OE2-NH2 3.01Å; W17-R20 PolarHBondContact O-N 3.33Å; R20-S23 PolarHBondContact O-N 2.82Å; R20-L24 PolarHBondContact O-N 3.25Å; R20-I119 HydrophobicContact CB-CD1 4.21Å; R20-I119 HydrophobicContact CB-CG1 4.08Å; R20-C122 PolarHBondContact NH1-SG 2.98Å; R20-E210 HydrophobicContact CG-CG 3.8Å; R20-E210 IonicContact CZ-OE2 2.96Å; R20-E210 IonicContact NE-OE1 3.38Å; R20-E210 IonicContact NE-OE2 3.27Å; R20-E210 PolarHBondContact NE-OE2 2.96Å; R20-E210 IonicContact NH2-OE2 3.86Å; R20-E210 PolarHBondContact NH2-OE2 2.59Å
21L91.3Very high88.9Confident84 Ų8459.2 Ų59.244%0.4430%0.299SS..Hα-helixtrans-65.7-40.6-179.7-71.9171.1000111.6W17 I18 S23 L24 L25W17-L21 WeakPolarHBondContact O-CB 3.35Å; W17-L21 WeakPolarHBondContact O-CG 3.2Å; W17-L21 PolarHBondContact O-N 2.8Å; I18-L21 PolarHBondContact O-N 3.27Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 2.98Å; L21-L24 PolarHBondContact O-N 3.12Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 3.16Å
22T92.8Very high90.2Very high48 Ų4858 Ų5829%0.29430%0.295SS..Hα-helixtrans-61.1-44.8175.8-57.90000110.8I18 F19 L24 L25 C26 M206I18-T22 VanDerWaalsContact O-CB 3.25Å; I18-T22 WeakPolarHBondContact O-CB 3.47Å; I18-T22 PolarHBondContact O-N 3.44Å; I18-T22 PolarHBondContact O-OG1 3.12Å; F19-T22 PolarHBondContact O-N 2.99Å; T22-L24 VanDerWaalsContact C-N 3.32Å; T22-L24 PolarHBondContact O-N 3.24Å; T22-L25 PolarHBondContact O-N 2.96Å; T22-C26 WeakPolarHBondContact O-CB 3.45Å; T22-C26 PolarHBondContact O-N 3.17Å; T22-C26 PolarHBondContact O-SG 2.94Å; T22-M206 HydrophobicContact CG2-CE 4.25Å
23S94.1Very high91.3Very high2 Ų257.9 Ų57.91%0.01429%0.286CS..Hα-helixtrans-59.6-43.6176.6-170.30000112.5F19 R20 L21 C26 S27 S203 L207F19-S23 WeakPolarHBondContact O-CB 3.45Å; F19-S23 PolarHBondContact O-N 3.23Å; R20-S23 PolarHBondContact O-N 2.82Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 2.98Å; S23-C26 PolarHBondContact O-N 3.09Å; S23-S27 WeakPolarHBondContact O-CB 3.37Å; S23-S27 PolarHBondContact O-N 2.72Å; S23-S27 PolarHBondContact O-OG 2.88Å; S23-S203 PolarHBondContact O-OG 3.29Å; S23-S203 PolarHBondContact OG-O 3.28Å; S23-S203 PolarHBondContact OG-OG 3.36Å; S23-L207 WeakPolarHBondContact OG-CD2 3.43Å; S23-L207 WeakPolarHBondContact OG-CG 3.27Å
24L94.5Very high92.2Very high26 Ų2654.1 Ų54.114%0.13627%0.27CS..Hα-helixtrans-64.9-45.4178.1-174.166.8000111.4R20 L21 T22 S27 F28 L112 I119R20-L24 PolarHBondContact O-N 3.25Å; L21-L24 PolarHBondContact O-N 3.12Å; T22-L24 VanDerWaalsContact C-N 3.32Å; T22-L24 PolarHBondContact O-N 3.24Å; L24-S27 WeakPolarHBondContact O-CB 3.23Å; L24-S27 PolarHBondContact O-N 3.12Å; L24-S27 VanDerWaalsContact O-N 3.16Å; L24-F28 HydrophobicContact CD1-CD2 4.32Å; L24-F28 HydrophobicContact CD1-CE2 3.93Å; L24-F28 HydrophobicContact CD2-CE2 4.22Å; L24-F28 HydrophobicContact CG-CD2 3.99Å; L24-F28 HydrophobicContact CG-CE2 3.79Å; L24-F28 VanDerWaalsContact O-CD2 3.29Å; L24-F28 WeakPolarHBondContact O-CD2 3.36Å; L24-F28 PolarHBondContact O-N 3.05Å; L24-L112 HydrophobicContact CD1-CD2 4.01Å; L24-I119 HydrophobicContact CB-CD1 4.1Å; L24-I119 HydrophobicContact CD2-CD1 3.95Å; L24-I119 HydrophobicContact CG-CD1 4.46Å
25L96Very high93Very high114 Ų11454 Ų5460%0.59727%0.266SS*.Hα-helixtrans-60.8-45.8176.3-72.8170.4000111.6L21 T22 S27 F28 M29L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 3.16Å; T22-L25 PolarHBondContact O-N 2.96Å; L25-S27 VanDerWaalsContact C-N 3.29Å; L25-S27 PolarHBondContact O-N 2.92Å; L25-F28 PolarHBondContact O-N 2.98Å; L25-M29 VanDerWaalsContact O-CG 3.31Å; L25-M29 WeakPolarHBondContact O-CG 3.43Å; L25-M29 PolarHBondContact O-N 2.98Å
26C96.6Very high93.6Very high14 Ų1451 Ų5110%0.09526%0.26CS..Hα-helixtrans-57.4-44.2173.2-72.10000111.1T22 S23 F28 M29 V30T22-C26 WeakPolarHBondContact O-CB 3.45Å; T22-C26 PolarHBondContact O-N 3.17Å; T22-C26 PolarHBondContact O-SG 2.94Å; S23-C26 PolarHBondContact O-N 3.09Å; C26-F28 VanDerWaalsContact C-N 3.33Å; C26-F28 PolarHBondContact O-N 3.39Å; C26-M29 PolarHBondContact O-N 2.84Å; C26-V30 VanDerWaalsContact O-CG2 3.26Å; C26-V30 WeakPolarHBondContact O-CG2 3.21Å; C26-V30 PolarHBondContact O-N 2.78Å
27S96.4Very high94.2Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-63.3-35.9177.7-65.60000113.1S23 L24 L25 W31 Q108 S203S23-S27 WeakPolarHBondContact O-CB 3.37Å; S23-S27 PolarHBondContact O-N 2.72Å; S23-S27 PolarHBondContact O-OG 2.88Å; L24-S27 WeakPolarHBondContact O-CB 3.23Å; L24-S27 PolarHBondContact O-N 3.12Å; L24-S27 VanDerWaalsContact O-N 3.16Å; L25-S27 VanDerWaalsContact C-N 3.29Å; L25-S27 PolarHBondContact O-N 2.92Å; S27-W31 PolarHBondContact O-N 2.89Å; S27-W31 VanDerWaalsContact O-N 3.14Å; S27-Q108 PolarHBondContact O-NE2 3.27Å; S27-S203 PolarHBondContact OG-OG 3.42Å; S27-S203 VanDerWaalsContact OG-OG 3.11Å
28F96.6Very high94.7Very high96 Ų9646.3 Ų46.342%0.42124%0.243SC..Hα-helixtrans-66.6-43.8172.8-87.7-70.9000111.9L24 L25 C26 V30 W31 G32 L112L24-F28 HydrophobicContact CD1-CD2 4.32Å; L24-F28 HydrophobicContact CD1-CE2 3.93Å; L24-F28 HydrophobicContact CD2-CE2 4.22Å; L24-F28 HydrophobicContact CG-CD2 3.99Å; L24-F28 HydrophobicContact CG-CE2 3.79Å; L24-F28 VanDerWaalsContact O-CD2 3.29Å; L24-F28 WeakPolarHBondContact O-CD2 3.36Å; L24-F28 PolarHBondContact O-N 3.05Å; L25-F28 PolarHBondContact O-N 2.98Å; C26-F28 VanDerWaalsContact C-N 3.33Å; C26-F28 PolarHBondContact O-N 3.39Å; F28-V30 VanDerWaalsContact C-N 3.33Å; F28-V30 PolarHBondContact O-N 2.8Å; F28-W31 WeakPolarHBondContact O-CB 3.36Å; F28-W31 PolarHBondContact O-N 2.9Å; F28-W31 VanDerWaalsContact O-N 3.13Å; F28-G32 PolarHBondContact O-N 3.39Å; F28-L112 HydrophobicContact CD1-CD1 3.97Å; F28-L112 HydrophobicContact CD1-CD2 4.1Å; F28-L112 HydrophobicContact CD2-CD2 3.84Å; F28-L112 HydrophobicContact CE1-CD1 3.9Å; F28-L112 HydrophobicContact CE1-CD2 4.19Å; F28-L112 HydrophobicContact CE2-CD2 3.93Å; F28-L112 HydrophobicContact CG-CD2 3.92Å; F28-L112 HydrophobicContact CZ-CD1 4.44Å; F28-L112 HydrophobicContact CZ-CD2 4.09Å
29M97.4Very high95Very high105 Ų10546.4 Ų46.452%0.51725%0.248SC..Hα-helixtrans-63.2-40.6177.3-65.4-68.8-93.900111.4L25 C26 W31 G32 F33 L199L25-M29 VanDerWaalsContact O-CG 3.31Å; L25-M29 WeakPolarHBondContact O-CG 3.43Å; L25-M29 PolarHBondContact O-N 2.98Å; C26-M29 PolarHBondContact O-N 2.84Å; M29-W31 VanDerWaalsContact C-N 3.27Å; M29-W31 PolarHBondContact O-N 2.8Å; M29-G32 PolarHBondContact O-N 2.97Å; M29-F33 HydrophobicContact CE-CZ 4.39Å; M29-F33 WeakPolarHBondContact O-CB 3.34Å; M29-F33 WeakPolarHBondContact O-CG 3.35Å; M29-F33 PolarHBondContact O-N 3Å; M29-L199 HydrophobicContact CB-CD1 3.89Å
30V97.6Very high95.1Very high2 Ų244.4 Ų44.41%0.01224%0.241CC..Hα-helixtrans-56.5-43.2172.5167.10000110.9C26 F28 G34 Q108 T196 L199 S200C26-V30 VanDerWaalsContact O-CG2 3.26Å; C26-V30 WeakPolarHBondContact O-CG2 3.21Å; C26-V30 PolarHBondContact O-N 2.78Å; F28-V30 VanDerWaalsContact C-N 3.33Å; F28-V30 PolarHBondContact O-N 2.8Å; V30-G34 PolarHBondContact O-N 2.91Å; V30-Q108 HydrophobicContact CG1-CG 4.28Å; V30-T196 HydrophobicContact CB-CG2 4.33Å; V30-T196 HydrophobicContact CG1-CG2 3.82Å; V30-T196 HydrophobicContact CG2-CG2 4.41Å; V30-L199 HydrophobicContact CG2-CB 3.62Å; V30-S200 VanDerWaalsContact CG2-OG 3.29Å; V30-S200 WeakPolarHBondContact CG2-OG 3.43Å
31W97.4Very high95.1Very high87 Ų8747.6 Ų47.633%0.3325%0.253SS..Hα-helixtrans-67.2-46177.9-16426.9000112.5S27 F28 M29 F33 G34 I35 Q108 P109 L112S27-W31 PolarHBondContact O-N 2.89Å; S27-W31 VanDerWaalsContact O-N 3.14Å; F28-W31 WeakPolarHBondContact O-CB 3.36Å; F28-W31 PolarHBondContact O-N 2.9Å; F28-W31 VanDerWaalsContact O-N 3.13Å; M29-W31 VanDerWaalsContact C-N 3.27Å; M29-W31 PolarHBondContact O-N 2.8Å; W31-F33 VanDerWaalsContact C-N 3.31Å; W31-F33 PolarHBondContact O-N 2.92Å; W31-G34 PolarHBondContact O-N 2.93Å; W31-G34 VanDerWaalsContact O-N 3.16Å; W31-I35 HydrophobicContact CD2-CD1 4.18Å; W31-I35 HydrophobicContact CG-CD1 4.31Å; W31-I35 HydrophobicContact CZ2-CD1 4.32Å; W31-I35 WeakPolarHBondContact O-CG1 3.48Å; W31-I35 PolarHBondContact O-N 3.46Å; W31-Q108 HydrophobicContact CB-CB 4.31Å; W31-Q108 HydrophobicContact CB-CG 3.49Å; W31-Q108 VanDerWaalsContact CB-CG 3.49Å; W31-Q108 HydrophobicContact CG-CB 4.11Å; W31-Q108 HydrophobicContact CG-CG 3.8Å; W31-P109 HydrophobicContact CZ2-CG 3.84Å; W31-L112 HydrophobicContact CB-CD1 4.45Å; W31-L112 HydrophobicContact CD2-CD1 4.1Å; W31-L112 HydrophobicContact CE3-CD1 3.58Å; W31-L112 HydrophobicContact CG-CD1 4.49Å; W31-L112 HydrophobicContact CZ3-CD1 4.18Å
32G97.3Very high95Very high32 Ų3248.5 Ų48.533%0.3325%0.252SS..Hα-helixtrans-59.2-42.5177.600000112.3F28 M29 I35 S36F28-G32 PolarHBondContact O-N 3.39Å; M29-G32 PolarHBondContact O-N 2.97Å; G32-I35 PolarHBondContact O-N 3.45Å; G32-S36 WeakPolarHBondContact O-CB 3.36Å; G32-S36 PolarHBondContact O-N 3.35Å; G32-S36 PolarHBondContact O-OG 2.94Å
33F96.4Very high94.9Very high47 Ų4746.4 Ų46.421%0.20624%0.238CC..Hα-helixtrans-70.2-37.5174.4-65.2-20.2000112.6M29 W31 I35 S36 L37 L192 L195 T196 L199M29-F33 HydrophobicContact CE-CZ 4.39Å; M29-F33 WeakPolarHBondContact O-CB 3.34Å; M29-F33 WeakPolarHBondContact O-CG 3.35Å; M29-F33 PolarHBondContact O-N 3Å; W31-F33 VanDerWaalsContact C-N 3.31Å; W31-F33 PolarHBondContact O-N 2.92Å; F33-I35 VanDerWaalsContact C-N 3.35Å; F33-I35 PolarHBondContact O-N 3.32Å; F33-S36 CarbonylContact O-C 3.58Å; F33-S36 WeakPolarHBondContact O-CB 3.14Å; F33-S36 PolarHBondContact O-N 2.89Å; F33-L37 WeakPolarHBondContact O-CB 3.35Å; F33-L37 VanDerWaalsContact O-CG 3.28Å; F33-L37 WeakPolarHBondContact O-CG 3.48Å; F33-L37 PolarHBondContact O-N 2.87Å; F33-L192 HydrophobicContact CB-CD1 4.16Å; F33-L192 HydrophobicContact CB-CG 4.49Å; F33-L192 HydrophobicContact CD1-CD1 3.85Å; F33-L192 HydrophobicContact CD2-CD1 4.12Å; F33-L192 HydrophobicContact CE1-CD1 4.23Å; F33-L192 HydrophobicContact CE2-CD1 4.48Å; F33-L192 HydrophobicContact CG-CD1 3.8Å; F33-L195 HydrophobicContact CD2-CD2 4.3Å; F33-L195 HydrophobicContact CD2-CG 4.41Å; F33-L195 HydrophobicContact CE2-CD2 3.55Å; F33-L195 HydrophobicContact CE2-CG 3.93Å; F33-L195 HydrophobicContact CZ-CD2 4.04Å; F33-T196 VanDerWaalsContact CB-OG1 3.28Å; F33-T196 WeakPolarHBondContact CB-OG1 3.35Å; F33-L199 HydrophobicContact CD2-CD1 3.81Å; F33-L199 HydrophobicContact CE2-CD1 3.52Å
34G96Very high94.8Very high7 Ų746.4 Ų46.47%0.07224%0.238CC..Hα-helixtrans-58.6-43.9172.400000112.8V30 W31 L37 A38 N105V30-G34 PolarHBondContact O-N 2.91Å; W31-G34 PolarHBondContact O-N 2.93Å; W31-G34 VanDerWaalsContact O-N 3.16Å; G34-L37 PolarHBondContact O-N 3.27Å; G34-A38 PolarHBondContact O-N 3.14Å; G34-N105 VanDerWaalsContact CA-OD1 3.29Å; G34-N105 WeakPolarHBondContact CA-OD1 2.9Å; G34-N105 PolarHBondContact O-ND2 3.37Å; G34-N105 PolarHBondContact O-OD1 3.01Å
35I95.9Very high94.6Very high75 Ų7546 Ų4639%0.38524%0.236SC..Hα-helixtrans-65.1-44174.3-66.5167.1000110.1W31 G32 F33 L37 A38 T39 N105W31-I35 HydrophobicContact CD2-CD1 4.18Å; W31-I35 HydrophobicContact CG-CD1 4.31Å; W31-I35 HydrophobicContact CZ2-CD1 4.32Å; W31-I35 WeakPolarHBondContact O-CG1 3.48Å; W31-I35 PolarHBondContact O-N 3.46Å; G32-I35 PolarHBondContact O-N 3.45Å; F33-I35 VanDerWaalsContact C-N 3.35Å; F33-I35 PolarHBondContact O-N 3.32Å; I35-L37 VanDerWaalsContact C-N 3.29Å; I35-L37 PolarHBondContact O-N 2.91Å; I35-A38 WeakPolarHBondContact O-CB 3.47Å; I35-A38 PolarHBondContact O-N 3.06Å; I35-A38 VanDerWaalsContact O-N 3.16Å; I35-T39 HydrophobicContact CG2-CG2 4.45Å; I35-T39 WeakPolarHBondContact O-CG2 3.46Å; I35-T39 PolarHBondContact O-N 2.98Å; I35-T39 PolarHBondContact O-OG1 2.76Å; I35-T39 VanDerWaalsContact O-OG1 3.05Å; I35-N105 PolarHBondContact N-OD1 3.28Å
36S95.3Very high94.3Very high54 Ų5440.8 Ų40.838%0.37821%0.208SC..Hα-helixtrans-61.4-38.5177.8-57.90000111.9G32 F33 T39 S40G32-S36 WeakPolarHBondContact O-CB 3.36Å; G32-S36 PolarHBondContact O-N 3.35Å; G32-S36 PolarHBondContact O-OG 2.94Å; F33-S36 CarbonylContact O-C 3.58Å; F33-S36 WeakPolarHBondContact O-CB 3.14Å; F33-S36 PolarHBondContact O-N 2.89Å; S36-T39 PolarHBondContact O-OG1 2.8Å; S36-S40 WeakPolarHBondContact O-CA 3.49Å; S36-S40 WeakPolarHBondContact O-CB 3.31Å; S36-S40 PolarHBondContact O-N 2.88Å
37L95.3Very high93.9Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-64.6-46.5173.3-74.3166.3000110.7F33 G34 I35 T39 S40 W43 I101 T150 V154 V189 L192F33-L37 WeakPolarHBondContact O-CB 3.35Å; F33-L37 VanDerWaalsContact O-CG 3.28Å; F33-L37 WeakPolarHBondContact O-CG 3.48Å; F33-L37 PolarHBondContact O-N 2.87Å; G34-L37 PolarHBondContact O-N 3.27Å; I35-L37 VanDerWaalsContact C-N 3.29Å; I35-L37 PolarHBondContact O-N 2.91Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 3.35Å; L37-S40 PolarHBondContact O-N 3.17Å; L37-W43 HydrophobicContact CB-CZ2 4.31Å; L37-W43 PolarHBondContact O-NE1 3.28Å; L37-I101 HydrophobicContact CB-CD1 4.46Å; L37-T150 HydrophobicContact CD1-CG2 4.09Å; L37-V154 HydrophobicContact CD2-CG1 4.47Å; L37-V189 HydrophobicContact CD2-CB 4.37Å; L37-V189 HydrophobicContact CD2-CG1 3.82Å; L37-V189 WeakPolarHBondContact CD2-O 3.41Å; L37-L192 HydrophobicContact CD2-CB 4.16Å; L37-L192 HydrophobicContact CD2-CD2 3.93Å; L37-L192 HydrophobicContact CD2-CG 4.1Å; L37-L192 HydrophobicContact CG-CD2 4.03Å; L37-L192 HydrophobicContact CG-CG 4.22Å
38A95Very high93.5Very high10 Ų1043.1 Ų43.18%0.08322%0.218CC..Hα-helixtrans-60.7-37.3179.200000112.9G34 I35 W61 I101G34-A38 PolarHBondContact O-N 3.14Å; I35-A38 WeakPolarHBondContact O-CB 3.47Å; I35-A38 PolarHBondContact O-N 3.06Å; I35-A38 VanDerWaalsContact O-N 3.16Å; A38-W61 PolarHBondContact O-NE1 3.07Å; A38-I101 HydrophobicContact CB-CG2 3.67Å
39T92.9Very high92.9Very high95 Ų9544.4 Ų44.458%0.58323%0.229SC*.Hα-helixtrans-94.1-7.6-177.760.50000113.7I35 S36 L37 R41I35-T39 HydrophobicContact CG2-CG2 4.45Å; I35-T39 WeakPolarHBondContact O-CG2 3.46Å; I35-T39 PolarHBondContact O-N 2.98Å; I35-T39 PolarHBondContact O-OG1 2.76Å; I35-T39 VanDerWaalsContact O-OG1 3.05Å; S36-T39 PolarHBondContact O-OG1 2.8Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 3.35Å; T39-R41 PolarHBondContact O-N 2.81Å
40S92.1Very high92.1Very high14 Ų1441.8 Ų41.810%0.09822%0.217CC..  trans-63.6138.2-177.5-177.30000111.8S36 L37 Y42 G59S36-S40 WeakPolarHBondContact O-CA 3.49Å; S36-S40 WeakPolarHBondContact O-CB 3.31Å; S36-S40 PolarHBondContact O-N 2.88Å; L37-S40 PolarHBondContact O-N 3.17Å; S40-Y42 VanDerWaalsContact C-N 3.35Å; S40-Y42 PolarHBondContact OG-N 2.8Å; S40-Y42 VanDerWaalsContact OG-N 3.1Å; S40-G59 WeakPolarHBondContact O-CA 3.31Å
41R89.7Confident91Very high87 Ų8750.4 Ų50.433%0.32826%0.255SS..SBendtrans-90.1-3.1172-64.5179.4175.6150.52.4113.1T39 Y57 I58 G59 E62T39-R41 PolarHBondContact O-N 2.81Å; R41-Y57 CarbonylContact O-C 3.28Å; R41-I58 CarbonylContact O-C 3.53Å; R41-I58 PolarHBondContact O-N 3.45Å; R41-G59 PolarHBondContact O-N 2.95Å; R41-E62 IonicContact CZ-OE2 3.17Å; R41-E62 IonicContact NE-OE2 2.77Å; R41-E62 PolarHBondContact NE-OE2 3.34Å; R41-E62 IonicContact NH2-OE2 3.35Å; R41-E62 PolarHBondContact NH2-OE2 3.5Å
42Y89.4Confident89.8Confident103 Ų10348 Ų4840%0.40425%0.253SS..  trans-104.632.8-170.5-57.5-90.8000111.3S40 R44 Y57 T187 H188 V189S40-Y42 VanDerWaalsContact C-N 3.35Å; S40-Y42 PolarHBondContact OG-N 2.8Å; S40-Y42 VanDerWaalsContact OG-N 3.1Å; Y42-R44 VanDerWaalsContact C-N 3.32Å; Y42-Y57 AromaticContact CD1-CD1 3.58Å; Y42-Y57 HydrophobicContact CD1-CD1 3.58Å; Y42-Y57 AromaticContact CD1-CE1 3.94Å; Y42-Y57 HydrophobicContact CD1-CE1 3.94Å; Y42-Y57 AromaticContact CE1-CD1 3.47Å; Y42-Y57 HydrophobicContact CE1-CD1 3.47Å; Y42-Y57 VanDerWaalsContact CE1-CD1 3.47Å; Y42-Y57 AromaticContact CE1-CE1 3.53Å; Y42-Y57 HydrophobicContact CE1-CE1 3.53Å; Y42-T187 WeakPolarHBondContact O-CB 3.36Å; Y42-T187 WeakPolarHBondContact O-CG2 3.33Å; Y42-T187 PolarHBondContact O-OG1 3.48Å; Y42-H188 WeakPolarHBondContact CB-CE1 3.49Å; Y42-H188 AromaticContact CD1-CE1 3.88Å; Y42-H188 AromaticContact CD2-CE1 3.19Å; Y42-H188 WeakPolarHBondContact CD2-CE1 3.46Å; Y42-H188 AromaticContact CD2-NE2 3.62Å; Y42-H188 AromaticContact CE2-CE1 3.9Å; Y42-H188 AromaticContact CG-CE1 3.17Å; Y42-H188 AromaticContact CG-ND1 4Å; Y42-H188 AromaticContact CG-NE2 3.86Å; Y42-V189 WeakPolarHBondContact O-CG2 3.35Å
43W91.7Very high88.9Confident5 Ų546.5 Ų46.52%0.01924%0.238CC..SBendtrans-67.1-40.4176-82.671.6000110.9L37 I58 L60 A97 I101 S153 V154 N157 T187 V189L37-W43 HydrophobicContact CB-CZ2 4.31Å; L37-W43 PolarHBondContact O-NE1 3.28Å; W43-I58 WeakPolarHBondContact CA-O 3.29Å; W43-I58 VanDerWaalsContact CB-O 3.3Å; W43-I58 WeakPolarHBondContact CB-O 3.42Å; W43-I58 PolarHBondContact N-O 3.14Å; W43-L60 HydrophobicContact CD2-CD1 4.17Å; W43-L60 HydrophobicContact CD2-CD2 3.69Å; W43-L60 HydrophobicContact CD2-CG 3.62Å; W43-L60 VanDerWaalsContact CE2-CG 3.44Å; W43-L60 HydrophobicContact CE3-CD2 3.73Å; W43-L60 HydrophobicContact CE3-CG 4.17Å; W43-L60 HydrophobicContact CG-CD2 4.23Å; W43-L60 HydrophobicContact CG-CG 3.95Å; W43-L60 HydrophobicContact CH2-CD1 4.03Å; W43-L60 HydrophobicContact CH2-CD2 4.31Å; W43-L60 HydrophobicContact CH2-CG 4.42Å; W43-L60 HydrophobicContact CZ2-CD1 3.44Å; W43-L60 VanDerWaalsContact CZ2-CD1 3.44Å; W43-L60 HydrophobicContact CZ2-CD2 4.25Å; W43-L60 HydrophobicContact CZ2-CG 3.88Å; W43-L60 HydrophobicContact CZ3-CD2 4.05Å; W43-A97 HydrophobicContact CE3-CB 4.49Å; W43-A97 HydrophobicContact CH2-CB 4.42Å; W43-A97 HydrophobicContact CZ3-CB 3.88Å; W43-I101 HydrophobicContact CH2-CD1 3.98Å; W43-I101 HydrophobicContact CH2-CG1 3.64Å; W43-I101 HydrophobicContact CZ2-CD1 4.25Å; W43-I101 HydrophobicContact CZ2-CG1 3.91Å; W43-S153 VanDerWaalsContact CH2-OG 3.3Å; W43-S153 WeakPolarHBondContact CH2-OG 3.33Å; W43-V154 HydrophobicContact CH2-CG1 4.06Å; W43-V154 HydrophobicContact CZ3-CG1 4.41Å; W43-N157 HydrophobicContact CE3-CB 4.24Å; W43-N157 HydrophobicContact CZ3-CB 4.25Å; W43-N157 PolarHBondContact O-ND2 3.24Å; W43-T187 PolarHBondContact O-OG1 2.91Å; W43-V189 HydrophobicContact CD2-CG1 3.7Å; W43-V189 HydrophobicContact CE3-CG1 3.93Å; W43-V189 HydrophobicContact CG-CG1 4.17Å; W43-V189 HydrophobicContact CG-CG2 4.21Å; W43-V189 HydrophobicContact CH2-CG1 4.17Å; W43-V189 HydrophobicContact CZ2-CG1 3.97Å; W43-V189 HydrophobicContact CZ3-CG1 4.15Å
44R90.5Very high88.2Confident1 Ų149.2 Ų49.20%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-134.4146.1168-46.8175.5175.1-174.6-3.5109.6Y42 I58 E93 N157 D161 S166Y42-R44 VanDerWaalsContact C-N 3.32Å; R44-I58 HydrophobicContact CB-CB 4.09Å; R44-I58 HydrophobicContact CB-CD1 4.43Å; R44-I58 PolarHBondContact N-O 3.42Å; R44-I58 PolarHBondContact O-N 3.22Å; R44-E93 IonicContact CZ-OE1 2.92Å; R44-E93 IonicContact NH1-OE1 3.96Å; R44-E93 PolarHBondContact NH1-OE1 3.03Å; R44-E93 IonicContact NH2-OE1 2.73Å; R44-E93 PolarHBondContact NH2-OE1 3.18Å; R44-N157 PolarHBondContact NE-OD1 3.43Å; R44-N157 PolarHBondContact NH2-OD1 3.38Å; R44-D161 WeakPolarHBondContact CD-OD1 3.3Å; R44-D161 HydrophobicContact CG-CB 4.27Å; R44-D161 IonicContact NE-OD1 2.61Å; R44-S166 PolarHBondContact NH1-OG 2.97Å
45L90.3Very high87.8Confident19 Ų1951.2 Ų51.210%0.09926%0.26CS..EExtended strand (participates in β ladder)trans-129.3112.4174.8175.456.6000108.1L55 V56 Y57 Q185 T187L45-L55 HydrophobicContact CD1-CB 4.46Å; L45-L55 HydrophobicContact CD1-CD2 4.2Å; L45-V56 WeakPolarHBondContact CA-O 3.42Å; L45-Y57 HydrophobicContact CD1-CD1 3.51Å; L45-Y57 HydrophobicContact CD1-CE1 3.42Å; L45-Y57 VanDerWaalsContact CD1-CE1 3.42Å; L45-Y57 HydrophobicContact CD1-CG 4.11Å; L45-Y57 HydrophobicContact CD2-CE1 4.22Å; L45-Y57 HydrophobicContact CG-CE1 4.41Å; L45-Q185 HydrophobicContact CB-CB 4.11Å; L45-Q185 HydrophobicContact CD2-CB 3.92Å; L45-Q185 HydrophobicContact CD2-CG 4.39Å; L45-Q185 HydrophobicContact CG-CB 3.94Å; L45-Q185 HydrophobicContact CG-CG 4.35Å; L45-Q185 PolarHBondContact O-N 3.41Å; L45-T187 HydrophobicContact CB-CG2 3.7Å
46W90.4Very high87.4Confident3 Ų347.7 Ų47.71%0.01124%0.241CC..EExtended strand (participates in β ladder)trans-113.9139.1-175.5-69.31.7000110.2F48 L55 V56 I58 D161 S166 L168 F170 L181 K184W46-F48 HydrophobicContact CB-CD2 4.49Å; W46-F48 HydrophobicContact CB-CE2 3.71Å; W46-F48 HydrophobicContact CB-CZ 4.28Å; W46-F48 HydrophobicContact CE3-CE2 4.41Å; W46-F48 AromaticContact CE3-CZ 3.98Å; W46-F48 HydrophobicContact CE3-CZ 3.98Å; W46-L55 WeakPolarHBondContact O-CA 3.3Å; W46-V56 PolarHBondContact N-O 2.88Å; W46-V56 PolarHBondContact O-N 3Å; W46-I58 HydrophobicContact CD2-CD1 3.75Å; W46-I58 HydrophobicContact CE3-CD1 3.78Å; W46-I58 HydrophobicContact CG-CD1 4.27Å; W46-I58 HydrophobicContact CH2-CD1 4.32Å; W46-I58 HydrophobicContact CZ2-CD1 4.3Å; W46-I58 HydrophobicContact CZ3-CD1 4.07Å; W46-D161 WeakPolarHBondContact CZ2-OD1 3.35Å; W46-D161 PolarHBondContact NE1-OD1 2.87Å; W46-S166 WeakPolarHBondContact CH2-OG 3.29Å; W46-S166 WeakPolarHBondContact CZ2-OG 3.41Å; W46-L168 HydrophobicContact CH2-CB 4.32Å; W46-L168 HydrophobicContact CH2-CD2 4.09Å; W46-F170 HydrophobicContact CE3-CE1 4.33Å; W46-F170 AromaticContact CE3-CZ 3.66Å; W46-F170 HydrophobicContact CE3-CZ 3.66Å; W46-F170 AromaticContact CZ3-CE1 3.92Å; W46-F170 HydrophobicContact CZ3-CE1 3.92Å; W46-F170 HydrophobicContact CZ3-CE2 4.33Å; W46-F170 AromaticContact CZ3-CZ 3.43Å; W46-F170 HydrophobicContact CZ3-CZ 3.43Å; W46-F170 VanDerWaalsContact CZ3-CZ 3.43Å; W46-L181 HydrophobicContact CB-CD1 3.68Å; W46-L181 HydrophobicContact CD2-CD1 4.17Å; W46-L181 HydrophobicContact CE3-CD1 4.18Å; W46-L181 HydrophobicContact CG-CD1 3.98Å; W46-K184 HydrophobicContact CG-CG 4.48Å
47E88.7Confident87.1Confident60 Ų6046.9 Ų46.928%0.2823%0.23SC..EExtended strand (participates in β ladder)trans-114.1131.6-178.2-172.2174.6175.200109.4Q54 L55 L182 R183 Q185E47-Q54 CarbonylContact C-O 3.18Å; E47-Q54 VanDerWaalsContact CA-O 3.23Å; E47-Q54 WeakPolarHBondContact CA-O 3.45Å; E47-L55 HydrophobicContact CB-CD2 4.05Å; E47-L55 HydrophobicContact CG-CD2 4.05Å; E47-L182 WeakPolarHBondContact O-CB 3.45Å; E47-L182 PolarHBondContact O-N 2.93Å; E47-R183 HydrophobicContact CB-CB 4.24Å; E47-R183 WeakPolarHBondContact CB-O 3.3Å; E47-R183 PolarHBondContact N-O 3.26Å; E47-R183 PolarHBondContact O-N 3.48Å; E47-Q185 PolarHBondContact OE2-NE2 3.02Å
48F87.4Confident86.8Confident4 Ų446.9 Ų46.92%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-120.9146.3-171.8-72.9-88.1000112.1W46 N50 L53 Q54 V56 F170 V176 G177 D180 L181W46-F48 HydrophobicContact CB-CD2 4.49Å; W46-F48 HydrophobicContact CB-CE2 3.71Å; W46-F48 HydrophobicContact CB-CZ 4.28Å; W46-F48 HydrophobicContact CE3-CE2 4.41Å; W46-F48 AromaticContact CE3-CZ 3.98Å; W46-F48 HydrophobicContact CE3-CZ 3.98Å; F48-N50 PolarHBondContact O-N 3.06Å; F48-L53 HydrophobicContact CB-CD2 4.38Å; F48-L53 HydrophobicContact CD2-CD2 3.98Å; F48-L53 HydrophobicContact CG-CD2 4.35Å; F48-Q54 PolarHBondContact N-O 3.32Å; F48-V56 HydrophobicContact CD2-CB 4.48Å; F48-V56 HydrophobicContact CD2-CG2 3.73Å; F48-V56 HydrophobicContact CE2-CB 3.99Å; F48-V56 HydrophobicContact CE2-CG2 3.5Å; F48-V56 VanDerWaalsContact CE2-CG2 3.5Å; F48-F170 HydrophobicContact CE1-CE2 4.02Å; F48-F170 HydrophobicContact CE1-CZ 4.42Å; F48-F170 AromaticContact CZ-CE2 3.73Å; F48-F170 HydrophobicContact CZ-CE2 3.73Å; F48-F170 AromaticContact CZ-CZ 3.68Å; F48-F170 HydrophobicContact CZ-CZ 3.68Å; F48-V176 HydrophobicContact CD1-CB 4.02Å; F48-V176 HydrophobicContact CD1-CG2 3.89Å; F48-V176 HydrophobicContact CD2-CG2 4.32Å; F48-V176 HydrophobicContact CE1-CB 4.34Å; F48-V176 HydrophobicContact CE1-CG2 3.91Å; F48-V176 HydrophobicContact CE2-CG2 4.32Å; F48-V176 HydrophobicContact CG-CB 4.42Å; F48-V176 HydrophobicContact CG-CG2 4.11Å; F48-V176 HydrophobicContact CZ-CG2 4.12Å; F48-G177 WeakPolarHBondContact CE1-O 3.44Å; F48-D180 CarbonylContact C-O 3.55Å; F48-D180 WeakPolarHBondContact CA-O 3.34Å; F48-D180 HydrophobicContact CD1-CB 4.03Å; F48-L181 HydrophobicContact CD1-CB 4.38Å; F48-L181 HydrophobicContact CD1-CD1 4.41Å; F48-L181 HydrophobicContact CE1-CB 4.02Å; F48-L181 HydrophobicContact CE1-CD1 3.92Å; F48-L181 HydrophobicContact CE2-CD1 4.1Å; F48-L181 HydrophobicContact CZ-CD1 3.75Å
49N84.3Confident86.6Confident122 Ų12246.5 Ų46.565%0.65223%0.228SC*.SBendtrans-80.352.2174.2-162.312.8000112D180 L182N49-D180 PolarHBondContact N-O 3.48Å; N49-L182 VanDerWaalsContact CA-CD1 3.48Å; N49-L182 HydrophobicContact CB-CD1 3.65Å; N49-L182 HydrophobicContact CB-CD2 4.33Å; N49-L182 HydrophobicContact CB-CG 3.73Å
50N79.6Confident86.5Confident50 Ų5042 Ų4227%0.26720%0.2SC..  trans-130.5128178.7-167.9-33.1000110.2F48 A52 L53 Q54 V176F48-N50 PolarHBondContact O-N 3.06Å; N50-A52 PolarHBondContact O-N 2.92Å; N50-A52 WeakPolarHBondContact OD1-CB 3.5Å; N50-A52 PolarHBondContact OD1-N 2.97Å; N50-L53 CarbonylContact O-C 3.53Å; N50-L53 VanDerWaalsContact O-C 3.28Å; N50-L53 PolarHBondContact O-N 2.83Å; N50-L53 VanDerWaalsContact O-O 3.12Å; N50-Q54 WeakPolarHBondContact O-CG 3.42Å; N50-V176 HydrophobicContact CB-CG1 3.84Å
51K75Confident86.5Confident184 Ų18445.9 Ų45.980%0.821%0.213SC*.SBendtrans-63.3-30.5178.7-68-175179.8179.50112.2
52A72.4Confident86.4Confident36 Ų3645 Ų4530%0.29821%0.212SC..SBendtrans-80.5-25.2179.800000113.2N50 Q67 E68N50-A52 PolarHBondContact O-N 2.92Å; N50-A52 WeakPolarHBondContact OD1-CB 3.5Å; N50-A52 PolarHBondContact OD1-N 2.97Å; A52-Q67 WeakPolarHBondContact O-CA 3.23Å; A52-E68 PolarHBondContact O-N 3.43Å
53L78Confident86.4Confident1 Ų140.1 Ų40.11%0.00519%0.193CC..  trans-150.3103.1-175.4-175.4160.3000109.6F48 N50 V56 Y65 P175 V176F48-L53 HydrophobicContact CB-CD2 4.38Å; F48-L53 HydrophobicContact CD2-CD2 3.98Å; F48-L53 HydrophobicContact CG-CD2 4.35Å; N50-L53 CarbonylContact O-C 3.53Å; N50-L53 VanDerWaalsContact O-C 3.28Å; N50-L53 PolarHBondContact O-N 2.83Å; N50-L53 VanDerWaalsContact O-O 3.12Å; L53-V56 HydrophobicContact CD1-CG2 4.41Å; L53-V56 HydrophobicContact CD2-CG2 3.32Å; L53-V56 HydrophobicContact CG-CG2 4.3Å; L53-Y65 HydrophobicContact CD1-CD2 3.3Å; L53-Y65 HydrophobicContact CD1-CE2 3.72Å; L53-Y65 HydrophobicContact CD1-CG 3.79Å; L53-Y65 HydrophobicContact CG-CD2 4.11Å; L53-P175 HydrophobicContact CD1-CG 3.55Å; L53-V176 HydrophobicContact CB-CG1 4.24Å; L53-V176 HydrophobicContact CD1-CG2 4.44Å; L53-V176 HydrophobicContact CD2-CG1 4.06Å; L53-V176 HydrophobicContact CD2-CG2 3.94Å
54Q82.9Confident86.1Confident103 Ų10341.3 Ų41.348%0.48120%0.198SC..  trans-96.3-35.9-177-71.4-178.9-15.100113.1E47 F48 N50E47-Q54 CarbonylContact C-O 3.18Å; E47-Q54 VanDerWaalsContact CA-O 3.23Å; E47-Q54 WeakPolarHBondContact CA-O 3.45Å; F48-Q54 PolarHBondContact N-O 3.32Å; N50-Q54 WeakPolarHBondContact O-CG 3.42Å
55L86.4Confident85.9Confident50 Ų5042.3 Ų42.326%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-130.2130.7-173.4-67.6172.4000111.2L45 W46 E47 Y57 Y65L45-L55 HydrophobicContact CD1-CB 4.46Å; L45-L55 HydrophobicContact CD1-CD2 4.2Å; W46-L55 WeakPolarHBondContact O-CA 3.3Å; E47-L55 HydrophobicContact CB-CD2 4.05Å; E47-L55 HydrophobicContact CG-CD2 4.05Å; L55-Y57 HydrophobicContact CB-CE2 4.22Å; L55-Y65 WeakPolarHBondContact O-CB 3.08Å
56V87.9Confident85.6Confident0 Ų046 Ų460%022%0.215CC..EExtended strand (participates in β ladder)trans-119.8122.9173-173.70000109.3L45 W46 F48 L53 I58 V63 F174L45-V56 WeakPolarHBondContact CA-O 3.42Å; W46-V56 PolarHBondContact N-O 2.88Å; W46-V56 PolarHBondContact O-N 3Å; F48-V56 HydrophobicContact CD2-CB 4.48Å; F48-V56 HydrophobicContact CD2-CG2 3.73Å; F48-V56 HydrophobicContact CE2-CB 3.99Å; F48-V56 HydrophobicContact CE2-CG2 3.5Å; F48-V56 VanDerWaalsContact CE2-CG2 3.5Å; L53-V56 HydrophobicContact CD1-CG2 4.41Å; L53-V56 HydrophobicContact CD2-CG2 3.32Å; L53-V56 HydrophobicContact CG-CG2 4.3Å; V56-I58 HydrophobicContact CG1-CD1 4.4Å; V56-I58 HydrophobicContact CG1-CG1 3.85Å; V56-V63 HydrophobicContact CG1-CG1 3.52Å; V56-F174 HydrophobicContact CG1-CZ 4.26Å; V56-F174 HydrophobicContact CG2-CE1 4.45Å; V56-F174 HydrophobicContact CG2-CZ 4.3Å
57Y89.1Confident85.1Confident37 Ų3748.8 Ų48.815%0.14523%0.228CC..EExtended strand (participates in β ladder)trans-97.7118173.7-55.4-89.6000108.2R41 Y42 L45 L55 V63 Y64 Y66R41-Y57 CarbonylContact O-C 3.28Å; Y42-Y57 AromaticContact CD1-CD1 3.58Å; Y42-Y57 HydrophobicContact CD1-CD1 3.58Å; Y42-Y57 AromaticContact CD1-CE1 3.94Å; Y42-Y57 HydrophobicContact CD1-CE1 3.94Å; Y42-Y57 AromaticContact CE1-CD1 3.47Å; Y42-Y57 HydrophobicContact CE1-CD1 3.47Å; Y42-Y57 VanDerWaalsContact CE1-CD1 3.47Å; Y42-Y57 AromaticContact CE1-CE1 3.53Å; Y42-Y57 HydrophobicContact CE1-CE1 3.53Å; L45-Y57 HydrophobicContact CD1-CD1 3.51Å; L45-Y57 HydrophobicContact CD1-CE1 3.42Å; L45-Y57 VanDerWaalsContact CD1-CE1 3.42Å; L45-Y57 HydrophobicContact CD1-CG 4.11Å; L45-Y57 HydrophobicContact CD2-CE1 4.22Å; L45-Y57 HydrophobicContact CG-CE1 4.41Å; L55-Y57 HydrophobicContact CB-CE2 4.22Å; Y57-V63 WeakPolarHBondContact O-CA 3.3Å; Y57-Y64 WeakPolarHBondContact CA-O 3.39Å; Y57-Y64 WeakPolarHBondContact CB-O 3.23Å; Y57-Y64 AromaticContact CD2-CD1 3.64Å; Y57-Y64 HydrophobicContact CD2-CD1 3.64Å; Y57-Y64 HydrophobicContact CD2-CE1 4.31Å; Y57-Y64 WeakPolarHBondContact CD2-O 3.45Å; Y57-Y64 HydrophobicContact CE2-CD1 4.31Å; Y57-Y64 HydrophobicContact CG-CD1 4.25Å; Y57-Y64 PolarHBondContact N-O 3.33Å; Y57-Y64 PolarHBondContact O-N 2.92Å; Y57-Y66 HydrophobicContact CE2-CD2 4.43Å; Y57-Y66 HydrophobicContact CE2-CE2 4.33Å
58I89.5Confident84.6Confident1 Ų148.5 Ų48.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-111.1111.1-178.7-54.8171.4000106.3R41 W43 R44 W46 V56 V63 M84 I94 L168R41-I58 CarbonylContact O-C 3.53Å; R41-I58 PolarHBondContact O-N 3.45Å; W43-I58 WeakPolarHBondContact CA-O 3.29Å; W43-I58 VanDerWaalsContact CB-O 3.3Å; W43-I58 WeakPolarHBondContact CB-O 3.42Å; W43-I58 PolarHBondContact N-O 3.14Å; R44-I58 HydrophobicContact CB-CB 4.09Å; R44-I58 HydrophobicContact CB-CD1 4.43Å; R44-I58 PolarHBondContact N-O 3.42Å; R44-I58 PolarHBondContact O-N 3.22Å; W46-I58 HydrophobicContact CD2-CD1 3.75Å; W46-I58 HydrophobicContact CE3-CD1 3.78Å; W46-I58 HydrophobicContact CG-CD1 4.27Å; W46-I58 HydrophobicContact CH2-CD1 4.32Å; W46-I58 HydrophobicContact CZ2-CD1 4.3Å; W46-I58 HydrophobicContact CZ3-CD1 4.07Å; V56-I58 HydrophobicContact CG1-CD1 4.4Å; V56-I58 HydrophobicContact CG1-CG1 3.85Å; I58-V63 HydrophobicContact CG1-CG1 4.27Å; I58-V63 HydrophobicContact CG2-CG2 4.25Å; I58-M84 HydrophobicContact CG2-CE 4.35Å; I58-I94 HydrophobicContact CG2-CD1 4.42Å; I58-L168 HydrophobicContact CD1-CD2 3.83Å; I58-L168 HydrophobicContact CG2-CD2 4.01Å
59G91.4Very high84Confident2 Ų250.9 Ų50.92%0.02124%0.242CC..  trans-87.5-176.5169.500000111.6S40 R41 E62S40-G59 WeakPolarHBondContact O-CA 3.31Å; R41-G59 PolarHBondContact O-N 2.95Å; G59-E62 WeakPolarHBondContact CA-O 3.34Å; G59-E62 PolarHBondContact N-O 2.97Å
60L90.7Very high83.5Confident1 Ų150.4 Ų50.41%0.00524%0.239CC..SBendtrans-67.1-41.9170.6-72.9176.5000111.5W43 I94 A97 R98 I101W43-L60 HydrophobicContact CD2-CD1 4.17Å; W43-L60 HydrophobicContact CD2-CD2 3.69Å; W43-L60 HydrophobicContact CD2-CG 3.62Å; W43-L60 VanDerWaalsContact CE2-CG 3.44Å; W43-L60 HydrophobicContact CE3-CD2 3.73Å; W43-L60 HydrophobicContact CE3-CG 4.17Å; W43-L60 HydrophobicContact CG-CD2 4.23Å; W43-L60 HydrophobicContact CG-CG 3.95Å; W43-L60 HydrophobicContact CH2-CD1 4.03Å; W43-L60 HydrophobicContact CH2-CD2 4.31Å; W43-L60 HydrophobicContact CH2-CG 4.42Å; W43-L60 HydrophobicContact CZ2-CD1 3.44Å; W43-L60 VanDerWaalsContact CZ2-CD1 3.44Å; W43-L60 HydrophobicContact CZ2-CD2 4.25Å; W43-L60 HydrophobicContact CZ2-CG 3.88Å; W43-L60 HydrophobicContact CZ3-CD2 4.05Å; L60-I94 HydrophobicContact CD2-CG2 4.29Å; L60-A97 HydrophobicContact CD2-CB 3.69Å; L60-R98 HydrophobicContact CB-CG 4.02Å; L60-R98 HydrophobicContact CD2-CG 4.21Å; L60-R98 HydrophobicContact CG-CG 4.48Å; L60-R98 PolarHBondContact O-NE 3.4Å; L60-R98 PolarHBondContact O-NH2 3.16Å; L60-I101 HydrophobicContact CD1-CB 4.41Å; L60-I101 HydrophobicContact CD1-CG1 4.43Å; L60-I101 HydrophobicContact CD1-CG2 4.49Å
61W90.3Very high82.9Confident95 Ų9555.1 Ų55.136%0.3626%0.257SS..SBendtrans-105.5-27.4-169.4-50103.6000114.2A38 M84 R98 L102A38-W61 PolarHBondContact O-NE1 3.07Å; W61-M84 WeakPolarHBondContact O-CB 3.28Å; W61-M84 PolarHBondContact O-N 2.88Å; W61-R98 HydrophobicContact CE3-CG 4.29Å; W61-R98 HydrophobicContact CH2-CB 3.79Å; W61-R98 HydrophobicContact CH2-CG 3.73Å; W61-R98 HydrophobicContact CZ2-CB 4.24Å; W61-R98 HydrophobicContact CZ2-CG 4.04Å; W61-R98 HydrophobicContact CZ3-CB 4.3Å; W61-R98 HydrophobicContact CZ3-CG 3.88Å; W61-L102 HydrophobicContact CH2-CD1 3.6Å; W61-L102 HydrophobicContact CH2-CD2 4.48Å; W61-L102 HydrophobicContact CH2-CG 4.09Å; W61-L102 HydrophobicContact CZ2-CD1 3.99Å; W61-L102 HydrophobicContact CZ2-CD2 4.07Å; W61-L102 HydrophobicContact CZ2-CG 3.96Å
62E89.6Confident82.2Confident68 Ų6852.7 Ų52.732%0.31826%0.263SS..EExtended strand (participates in β ladder)trans-140.8149.5-170.212.3172.6147.800110.3R41 G59R41-E62 IonicContact CZ-OE2 3.17Å; R41-E62 IonicContact NE-OE2 2.77Å; R41-E62 PolarHBondContact NE-OE2 3.34Å; R41-E62 IonicContact NH2-OE2 3.35Å; R41-E62 PolarHBondContact NH2-OE2 3.5Å; G59-E62 WeakPolarHBondContact CA-O 3.34Å; G59-E62 PolarHBondContact N-O 2.97Å
63V87.8Confident82Confident0 Ų054.4 Ų54.40%029%0.285CS..EExtended strand (participates in β ladder)trans-109.3135.2171.9-177.40000108.4V56 Y57 I58 S82 M84 W88V56-V63 HydrophobicContact CG1-CG1 3.52Å; Y57-V63 WeakPolarHBondContact O-CA 3.3Å; I58-V63 HydrophobicContact CG1-CG1 4.27Å; I58-V63 HydrophobicContact CG2-CG2 4.25Å; V63-S82 PolarHBondContact N-O 3.01Å; V63-S82 PolarHBondContact O-N 3.46Å; V63-M84 HydrophobicContact CG2-CE 4.36Å; V63-M84 HydrophobicContact CG2-CG 4.43Å; V63-M84 HydrophobicContact CG2-SD 4.38Å; V63-W88 HydrophobicContact CB-CH2 4.03Å; V63-W88 HydrophobicContact CB-CZ2 4.18Å; V63-W88 HydrophobicContact CG1-CH2 3.94Å; V63-W88 HydrophobicContact CG1-CZ2 4.45Å; V63-W88 HydrophobicContact CG2-CE3 4.42Å; V63-W88 HydrophobicContact CG2-CH2 3.74Å; V63-W88 HydrophobicContact CG2-CZ2 4.06Å; V63-W88 HydrophobicContact CG2-CZ3 3.9Å
64Y86.8Confident81.5Confident30 Ų3057.7 Ų57.712%0.11831%0.307CS..EExtended strand (participates in β ladder)trans-129.9133.7-176.2179.4-104.9000110.4Y57 Y66 P79 V80 H81Y57-Y64 WeakPolarHBondContact CA-O 3.39Å; Y57-Y64 WeakPolarHBondContact CB-O 3.23Å; Y57-Y64 AromaticContact CD2-CD1 3.64Å; Y57-Y64 HydrophobicContact CD2-CD1 3.64Å; Y57-Y64 HydrophobicContact CD2-CE1 4.31Å; Y57-Y64 WeakPolarHBondContact CD2-O 3.45Å; Y57-Y64 HydrophobicContact CE2-CD1 4.31Å; Y57-Y64 HydrophobicContact CG-CD1 4.25Å; Y57-Y64 PolarHBondContact N-O 3.33Å; Y57-Y64 PolarHBondContact O-N 2.92Å; Y64-Y66 HydrophobicContact CE1-CD2 4.31Å; Y64-Y66 HydrophobicContact CE1-CE1 4.44Å; Y64-Y66 AromaticContact CE1-CE2 3.62Å; Y64-Y66 HydrophobicContact CE1-CE2 3.62Å; Y64-Y66 AromaticContact CE1-CZ 3.7Å; Y64-Y66 AromaticContact CZ-CZ 3.73Å; Y64-Y66 VanDerWaalsContact OH-CE1 3.29Å; Y64-Y66 WeakPolarHBondContact OH-CE1 3.5Å; Y64-Y66 PolarHBondContact OH-OH 2.84Å; Y64-P79 HydrophobicContact CE2-CB 3.69Å; Y64-P79 WeakPolarHBondContact OH-CB 3.22Å; Y64-V80 WeakPolarHBondContact CD2-O 3.43Å; Y64-H81 AromaticContact CD2-CE1 3.16Å; Y64-H81 WeakPolarHBondContact CD2-CE1 2.91Å; Y64-H81 AromaticContact CD2-CG 3.9Å; Y64-H81 AromaticContact CD2-ND1 3.35Å; Y64-H81 VanDerWaalsContact CD2-ND1 3.35Å; Y64-H81 WeakPolarHBondContact CD2-ND1 3.15Å; Y64-H81 AromaticContact CD2-NE2 3.66Å; Y64-H81 AromaticContact CE2-CD2 3.95Å; Y64-H81 AromaticContact CE2-CE1 3.19Å; Y64-H81 WeakPolarHBondContact CE2-CE1 3.43Å; Y64-H81 AromaticContact CE2-ND1 3.83Å; Y64-H81 AromaticContact CE2-NE2 3.28Å; Y64-H81 VanDerWaalsContact CE2-NE2 3.28Å; Y64-H81 WeakPolarHBondContact CE2-NE2 3.49Å
65Y86Confident81.1Confident22 Ų2258.3 Ų58.39%0.08631%0.313CS..EExtended strand (participates in β ladder)trans-151.8160.3177.159.4-87.5000110.8L53 L55 Q67 V80 F174 P175L53-Y65 HydrophobicContact CD1-CD2 3.3Å; L53-Y65 HydrophobicContact CD1-CE2 3.72Å; L53-Y65 HydrophobicContact CD1-CG 3.79Å; L53-Y65 HydrophobicContact CG-CD2 4.11Å; L55-Y65 WeakPolarHBondContact O-CB 3.08Å; Y65-Q67 HydrophobicContact CD2-CB 4.42Å; Y65-Q67 HydrophobicContact CE2-CB 4.25Å; Y65-V80 HydrophobicContact CD1-CB 4.45Å; Y65-V80 HydrophobicContact CD2-CB 4.09Å; Y65-V80 HydrophobicContact CD2-CG2 4.42Å; Y65-V80 HydrophobicContact CE1-CB 4Å; Y65-V80 HydrophobicContact CE1-CG1 3.94Å; Y65-V80 HydrophobicContact CE2-CB 3.62Å; Y65-V80 HydrophobicContact CE2-CG1 4.07Å; Y65-V80 HydrophobicContact CE2-CG2 3.86Å; Y65-V80 HydrophobicContact CG-CB 4.5Å; Y65-V80 PolarHBondContact N-O 3.41Å; Y65-V80 PolarHBondContact O-N 2.88Å; Y65-V80 WeakPolarHBondContact OH-CG1 3.45Å; Y65-F174 HydrophobicContact CD1-CE2 4.04Å; Y65-F174 HydrophobicContact CD1-CZ 4.12Å; Y65-F174 AromaticContact CE1-CE2 3.59Å; Y65-F174 HydrophobicContact CE1-CE2 3.59Å; Y65-F174 HydrophobicContact CE1-CZ 4.12Å; Y65-P175 HydrophobicContact CE2-CG 4.34Å
66Y83.1Confident80.5Confident98 Ų9858.5 Ų58.538%0.38432%0.316SS..EExtended strand (participates in β ladder)trans-101.4127.9171.1-67.9-81000109.2Y57 Y64 P79Y57-Y66 HydrophobicContact CE2-CD2 4.43Å; Y57-Y66 HydrophobicContact CE2-CE2 4.33Å; Y64-Y66 HydrophobicContact CE1-CD2 4.31Å; Y64-Y66 HydrophobicContact CE1-CE1 4.44Å; Y64-Y66 AromaticContact CE1-CE2 3.62Å; Y64-Y66 HydrophobicContact CE1-CE2 3.62Å; Y64-Y66 AromaticContact CE1-CZ 3.7Å; Y64-Y66 AromaticContact CZ-CZ 3.73Å; Y64-Y66 VanDerWaalsContact OH-CE1 3.29Å; Y64-Y66 WeakPolarHBondContact OH-CE1 3.5Å; Y64-Y66 PolarHBondContact OH-OH 2.84Å; Y66-P79 HydrophobicContact CD1-CB 4.09Å; Y66-P79 HydrophobicContact CE1-CB 3.84Å
67Q80.9Confident79.9Confident61 Ų6166.5 Ų66.529%0.28535%0.347SS..EExtended strand (participates in β ladder)trans-107127174-166.4168.822.600109.7A52 Y65 V69 V78 V80A52-Q67 WeakPolarHBondContact O-CA 3.23Å; Y65-Q67 HydrophobicContact CD2-CB 4.42Å; Y65-Q67 HydrophobicContact CE2-CB 4.25Å; Q67-V69 HydrophobicContact CG-CG2 4.33Å; Q67-V69 PolarHBondContact O-N 2.92Å; Q67-V78 PolarHBondContact N-O 2.99Å; Q67-V78 PolarHBondContact O-N 3.35Å; Q67-V80 HydrophobicContact CB-CG2 4.18Å
68E78.8Confident79.5Confident54 Ų5467.7 Ų67.725%0.25236%0.357SS..EExtended strand (participates in β ladder)trans-79.9112.6171.9-68.7-167.7173.600109.4A52 I75 R77A52-E68 PolarHBondContact O-N 3.43Å; E68-I75 HydrophobicContact CB-CG2 3.91Å; E68-I75 HydrophobicContact CG-CG2 4.08Å; E68-R77 HydrophobicContact CG-CG 3.77Å; E68-R77 IonicContact OE1-CZ 3.49Å; E68-R77 IonicContact OE1-NE 2.8Å; E68-R77 PolarHBondContact OE1-NE 3.33Å; E68-R77 IonicContact OE1-NH2 3.88Å; E68-R77 PolarHBondContact OE1-NH2 2.99Å
69V74.3Confident79.1Confident54 Ų5470.7 Ų70.733%0.32738%0.377SS..EExtended strand (participates in β ladder)trans-111.6124.5177.7-169.40000108.3Q67 K71 T76 V78Q67-V69 HydrophobicContact CG-CG2 4.33Å; Q67-V69 PolarHBondContact O-N 2.92Å; V69-K71 PolarHBondContact O-N 2.92Å; V69-T76 PolarHBondContact N-O 3.31Å; V69-T76 PolarHBondContact O-N 3.17Å; V69-T76 PolarHBondContact O-OG1 3.49Å; V69-T76 VanDerWaalsContact O-OG1 3.05Å; V69-V78 HydrophobicContact CG2-CG2 4.2Å
70N72.4Confident78.7Confident111 Ų11172.3 Ų72.359%0.59439%0.386SS*.EExtended strand (participates in β ladder)trans-80.9100.2172.7-171.1-10.6000108.7G73N70-G73 WeakPolarHBondContact OD1-CA 3.29Å; N70-G73 PolarHBondContact OD1-N 2.76Å; N70-G73 VanDerWaalsContact OD1-N 3.12Å
71K66.9Low78.3Confident150 Ų15077 Ų7765%0.65241%0.408SS*.EExtended strand (participates in β ladder)trans-102.4114.2169.7-91.3-172174.4179.70108.2V69 G73 S74V69-K71 PolarHBondContact O-N 2.92Å; K71-G73 VanDerWaalsContact C-N 3.31Å; K71-G73 PolarHBondContact O-N 3.1Å; K71-S74 PolarHBondContact N-O 3.48Å; K71-S74 VanDerWaalsContact N-O 3.12Å; K71-S74 PolarHBondContact O-N 2.98Å; K71-S74 VanDerWaalsContact O-N 3.16Å
72S60.8Low77.8Confident132 Ų13274.1 Ų74.192%0.92340%0.402SS*.THydrogen-bonded Turntrans57.537.2169.8-500000114.7
73G68.6Low77.3Confident73 Ų7373.9 Ų73.975%0.75341%0.412SS*.THydrogen-bonded Turntrans87.7-0.9177.400000114.9N70 K71N70-G73 WeakPolarHBondContact OD1-CA 3.29Å; N70-G73 PolarHBondContact OD1-N 2.76Å; N70-G73 VanDerWaalsContact OD1-N 3.12Å; K71-G73 VanDerWaalsContact C-N 3.31Å; K71-G73 PolarHBondContact O-N 3.1Å
74S67.1Low76.7Confident69 Ų6974.5 Ų74.548%0.48342%0.415SS..EExtended strand (participates in β ladder)trans-111.2129.9172.8-172.40000110.6K71 T76K71-S74 PolarHBondContact N-O 3.48Å; K71-S74 VanDerWaalsContact N-O 3.12Å; K71-S74 PolarHBondContact O-N 2.98Å; K71-S74 VanDerWaalsContact O-N 3.16Å; S74-T76 PolarHBondContact O-N 2.94Å
75I74.4Confident76Confident116 Ų11677 Ų7760%0.59543%0.43SS*.EExtended strand (participates in β ladder)trans-78.5114.5174-63.1167000108.1E68E68-I75 HydrophobicContact CB-CG2 3.91Å; E68-I75 HydrophobicContact CG-CG2 4.08Å
76T73.6Confident74.9Confident55 Ų5582 Ų8234%0.33747%0.469SS..EExtended strand (participates in β ladder)trans-114.2132.5177.3550000110.2V69 S74V69-T76 PolarHBondContact N-O 3.31Å; V69-T76 PolarHBondContact O-N 3.17Å; V69-T76 PolarHBondContact O-OG1 3.49Å; V69-T76 VanDerWaalsContact O-OG1 3.05Å; S74-T76 PolarHBondContact O-N 2.94Å
77R75.8Confident74.4Confident168 Ų16880.4 Ų80.463%0.63447%0.472SS*.EExtended strand (participates in β ladder)trans-87.7113.8175.6-75.3174.8-178.9171.50.4109.4E68E68-R77 HydrophobicContact CG-CG 3.77Å; E68-R77 IonicContact OE1-CZ 3.49Å; E68-R77 IonicContact OE1-NE 2.8Å; E68-R77 PolarHBondContact OE1-NE 3.33Å; E68-R77 IonicContact OE1-NH2 3.88Å; E68-R77 PolarHBondContact OE1-NH2 2.99Å
78V80.5Confident74.2Confident62 Ų6278 Ų7838%0.37646%0.46SS..EExtended strand (participates in β ladder)trans-104.6126.1178.6-176.10000108.9Q67 V69Q67-V78 PolarHBondContact N-O 2.99Å; Q67-V78 PolarHBondContact O-N 3.35Å; V69-V78 HydrophobicContact CG2-CG2 4.2Å
79P82.2Confident74.3Confident63 Ų6379.6 Ų79.641%0.40947%0.474SS..EExtended strand (participates in β ladder)trans-72.1129.7173.229.2-32.9000109.8Y64 Y66Y64-P79 HydrophobicContact CE2-CB 3.69Å; Y64-P79 WeakPolarHBondContact OH-CB 3.22Å; Y66-P79 HydrophobicContact CD1-CB 4.09Å; Y66-P79 HydrophobicContact CE1-CB 3.84Å
80V82.3Confident74.6Confident36 Ų3679.5 Ų79.522%0.21847%0.471CS..EExtended strand (participates in β ladder)trans-116.5129176.4-173.90000109.2Y64 Y65 Q67Y64-V80 WeakPolarHBondContact CD2-O 3.43Å; Y65-V80 HydrophobicContact CD1-CB 4.45Å; Y65-V80 HydrophobicContact CD2-CB 4.09Å; Y65-V80 HydrophobicContact CD2-CG2 4.42Å; Y65-V80 HydrophobicContact CE1-CB 4Å; Y65-V80 HydrophobicContact CE1-CG1 3.94Å; Y65-V80 HydrophobicContact CE2-CB 3.62Å; Y65-V80 HydrophobicContact CE2-CG1 4.07Å; Y65-V80 HydrophobicContact CE2-CG2 3.86Å; Y65-V80 HydrophobicContact CG-CB 4.5Å; Y65-V80 PolarHBondContact N-O 3.41Å; Y65-V80 PolarHBondContact O-N 2.88Å; Y65-V80 WeakPolarHBondContact OH-CG1 3.45Å; Q67-V80 HydrophobicContact CB-CG2 4.18Å
81H82.6Confident75.1Confident101 Ų10174.4 Ų74.447%0.46844%0.444SS..EExtended strand (participates in β ladder)trans-109.4123.5175.5-66.3-90.1000109Y64Y64-H81 AromaticContact CD2-CE1 3.16Å; Y64-H81 WeakPolarHBondContact CD2-CE1 2.91Å; Y64-H81 AromaticContact CD2-CG 3.9Å; Y64-H81 AromaticContact CD2-ND1 3.35Å; Y64-H81 VanDerWaalsContact CD2-ND1 3.35Å; Y64-H81 WeakPolarHBondContact CD2-ND1 3.15Å; Y64-H81 AromaticContact CD2-NE2 3.66Å; Y64-H81 AromaticContact CE2-CD2 3.95Å; Y64-H81 AromaticContact CE2-CE1 3.19Å; Y64-H81 WeakPolarHBondContact CE2-CE1 3.43Å; Y64-H81 AromaticContact CE2-ND1 3.83Å; Y64-H81 AromaticContact CE2-NE2 3.28Å; Y64-H81 VanDerWaalsContact CE2-NE2 3.28Å; Y64-H81 WeakPolarHBondContact CE2-NE2 3.49Å
82S79.6Confident76Confident33 Ų3371.7 Ų71.723%0.23144%0.435CS..EExtended strand (participates in β ladder)trans-117.6120.1169.6-1760000108.9V63 M84 W88V63-S82 PolarHBondContact N-O 3.01Å; V63-S82 PolarHBondContact O-N 3.46Å; S82-M84 PolarHBondContact O-N 2.89Å; S82-W88 PolarHBondContact OG-NE1 2.86Å
83A79.5Confident77.2Confident64 Ų6465.7 Ų65.753%0.52939%0.393SS..EExtended strand (participates in β ladder)trans-61.9137.5165.400000108.8N85A83-N85 VanDerWaalsContact C-N 3.26Å; A83-N85 PolarHBondContact O-N 3.46Å
84M75.1Confident78.1Confident12 Ų1262.3 Ų62.36%0.05936%0.358CS..  trans-83.780.3178.5-152.5176.8-162.400107.8I58 W61 V63 S82 W88 I90 I94 L168I58-M84 HydrophobicContact CG2-CE 4.35Å; W61-M84 WeakPolarHBondContact O-CB 3.28Å; W61-M84 PolarHBondContact O-N 2.88Å; V63-M84 HydrophobicContact CG2-CE 4.36Å; V63-M84 HydrophobicContact CG2-CG 4.43Å; V63-M84 HydrophobicContact CG2-SD 4.38Å; S82-M84 PolarHBondContact O-N 2.89Å; M84-W88 HydrophobicContact CE-CE3 4.06Å; M84-W88 HydrophobicContact CG-CB 4.05Å; M84-W88 HydrophobicContact CG-CD2 4.17Å; M84-W88 HydrophobicContact CG-CE3 4.45Å; M84-W88 HydrophobicContact CG-CG 3.98Å; M84-I90 HydrophobicContact CG-CG1 4.27Å; M84-I94 HydrophobicContact CE-CD1 4.01Å; M84-L168 HydrophobicContact CE-CD1 3.21Å; M84-L168 HydrophobicContact CE-CD2 3.97Å; M84-L168 HydrophobicContact CE-CG 4.22Å
85N71.6Confident79.2Confident82 Ų8264.7 Ų64.744%0.43936%0.361SS..  trans-99.7-168.9-17567.87.6000111.3A83 S87 W88A83-N85 VanDerWaalsContact C-N 3.26Å; A83-N85 PolarHBondContact O-N 3.46Å; N85-S87 PolarHBondContact O-N 2.9Å; N85-S87 PolarHBondContact OD1-N 3.05Å; N85-S87 VanDerWaalsContact OD1-N 3.13Å; N85-S87 PolarHBondContact OD1-OG 2.7Å; N85-W88 WeakPolarHBondContact O-CB 3.19Å; N85-W88 PolarHBondContact O-N 2.96Å
86S62.4Low80Confident128 Ų12866.3 Ų66.390%0.89536%0.361SS*.THydrogen-bonded Turntrans-61.9-10.2-177.358.90000115.8W88S86-W88 VanDerWaalsContact C-N 3.3Å
87S72.1Confident81Confident65 Ų6563.8 Ų63.846%0.45535%0.345SS..THydrogen-bonded Turntrans-80.9-13.4172.671.10000112.9N85N85-S87 PolarHBondContact O-N 2.9Å; N85-S87 PolarHBondContact OD1-N 3.05Å; N85-S87 VanDerWaalsContact OD1-N 3.13Å; N85-S87 PolarHBondContact OD1-OG 2.7Å
88W76.6Confident81.9Confident10 Ų1057.5 Ų57.54%0.03832%0.322CS..SBendtrans-92.8133.4175.1-70.673.9000110V63 S82 M84 N85 S86 I90 L168 F170 P171 F174V63-W88 HydrophobicContact CB-CH2 4.03Å; V63-W88 HydrophobicContact CB-CZ2 4.18Å; V63-W88 HydrophobicContact CG1-CH2 3.94Å; V63-W88 HydrophobicContact CG1-CZ2 4.45Å; V63-W88 HydrophobicContact CG2-CE3 4.42Å; V63-W88 HydrophobicContact CG2-CH2 3.74Å; V63-W88 HydrophobicContact CG2-CZ2 4.06Å; V63-W88 HydrophobicContact CG2-CZ3 3.9Å; S82-W88 PolarHBondContact OG-NE1 2.86Å; M84-W88 HydrophobicContact CE-CE3 4.06Å; M84-W88 HydrophobicContact CG-CB 4.05Å; M84-W88 HydrophobicContact CG-CD2 4.17Å; M84-W88 HydrophobicContact CG-CE3 4.45Å; M84-W88 HydrophobicContact CG-CG 3.98Å; N85-W88 WeakPolarHBondContact O-CB 3.19Å; N85-W88 PolarHBondContact O-N 2.96Å; S86-W88 VanDerWaalsContact C-N 3.3Å; W88-I90 VanDerWaalsContact C-N 3.29Å; W88-I90 HydrophobicContact CB-CG1 4.39Å; W88-I90 PolarHBondContact O-N 3.24Å; W88-L168 HydrophobicContact CE3-CD1 4.48Å; W88-F170 HydrophobicContact CE3-CD1 4.48Å; W88-F170 HydrophobicContact CH2-CD1 4.03Å; W88-F170 AromaticContact CZ3-CD1 3.57Å; W88-F170 HydrophobicContact CZ3-CD1 3.57Å; W88-F170 HydrophobicContact CZ3-CE1 4.06Å; W88-P171 HydrophobicContact CD2-CG 4.24Å; W88-P171 HydrophobicContact CZ2-CG 4.07Å; W88-F174 AromaticContact CH2-CD2 3.86Å; W88-F174 HydrophobicContact CH2-CD2 3.86Å; W88-F174 AromaticContact CH2-CE2 3.67Å; W88-F174 HydrophobicContact CH2-CE2 3.67Å; W88-F174 HydrophobicContact CH2-CZ 4.15Å; W88-F174 AromaticContact CZ2-CD2 3.93Å; W88-F174 HydrophobicContact CZ2-CD2 3.93Å; W88-F174 AromaticContact CZ2-CE2 3.92Å; W88-F174 HydrophobicContact CZ2-CE2 3.92Å
89T81Confident82.6Confident87 Ų8756.6 Ų56.653%0.53433%0.325SS..BIsolated β-bridgetrans-77.287.1167.2-51.10000107.9S91T89-S91 PolarHBondContact O-N 3.17Å
90I80.7Confident83.2Confident53 Ų5355.7 Ų55.727%0.27232%0.316SS..  trans-65.4125.7-179.9-59.9168.9000108.2M84 W88 I94 E95M84-I90 HydrophobicContact CG-CG1 4.27Å; W88-I90 VanDerWaalsContact C-N 3.29Å; W88-I90 HydrophobicContact CB-CG1 4.39Å; W88-I90 PolarHBondContact O-N 3.24Å; I90-I94 HydrophobicContact CG2-CB 4.22Å; I90-I94 HydrophobicContact CG2-CG2 4.12Å; I90-E95 HydrophobicContact CG2-CB 4.49Å
91S83.3Confident83.9Confident3 Ų354.1 Ų54.12%0.02131%0.306CS..  trans-75.1148.8179.360.60000112.2T89 E93 I94 E95 T167T89-S91 PolarHBondContact O-N 3.17Å; S91-E93 WeakPolarHBondContact CB-OE1 3.16Å; S91-E93 VanDerWaalsContact CB-OE2 3.25Å; S91-E93 WeakPolarHBondContact CB-OE2 3.29Å; S91-E93 PolarHBondContact O-N 3.28Å; S91-E93 VanDerWaalsContact O-N 3.14Å; S91-E93 PolarHBondContact OG-OE1 3.19Å; S91-E93 PolarHBondContact OG-OE2 2.9Å; S91-I94 PolarHBondContact O-N 3.1Å; S91-I94 WeakPolarHBondContact OG-CG1 3.43Å; S91-E95 PolarHBondContact O-N 3.5Å; S91-E95 VanDerWaalsContact O-N 3.12Å; S91-T167 WeakPolarHBondContact CB-OG1 3.21Å
92I85.6Confident84.6Confident93 Ų9352.5 Ų52.548%0.47730%0.301SS..Hα-helixtrans-55.8-36.2-176.4-166.666.8000111.4E95 Y96I92-E95 PolarHBondContact O-N 3.46Å; I92-Y96 HydrophobicContact CD1-CD2 4.13Å; I92-Y96 HydrophobicContact CD1-CE2 3.74Å; I92-Y96 HydrophobicContact CG1-CD2 3.79Å; I92-Y96 HydrophobicContact CG1-CE2 3.65Å; I92-Y96 VanDerWaalsContact O-CD2 3.27Å; I92-Y96 WeakPolarHBondContact O-CD2 3.47Å; I92-Y96 PolarHBondContact O-N 3.05Å
93E86.9Confident85.4Confident6 Ų654.7 Ų54.73%0.02831%0.31CS..Hα-helixtrans-70.7-31.7-179.670.5-79.6177.400113.6R44 S91 A97 V160 T167R44-E93 IonicContact CZ-OE1 2.92Å; R44-E93 IonicContact NH1-OE1 3.96Å; R44-E93 PolarHBondContact NH1-OE1 3.03Å; R44-E93 IonicContact NH2-OE1 2.73Å; R44-E93 PolarHBondContact NH2-OE1 3.18Å; S91-E93 WeakPolarHBondContact CB-OE1 3.16Å; S91-E93 VanDerWaalsContact CB-OE2 3.25Å; S91-E93 WeakPolarHBondContact CB-OE2 3.29Å; S91-E93 PolarHBondContact O-N 3.28Å; S91-E93 VanDerWaalsContact O-N 3.14Å; S91-E93 PolarHBondContact OG-OE1 3.19Å; S91-E93 PolarHBondContact OG-OE2 2.9Å; E93-A97 VanDerWaalsContact O-CB 3.23Å; E93-A97 WeakPolarHBondContact O-CB 3.47Å; E93-A97 PolarHBondContact O-N 3.26Å; E93-V160 HydrophobicContact CG-CB 4.37Å; E93-V160 HydrophobicContact CG-CG1 3.95Å; E93-T167 PolarHBondContact OE2-OG1 3.04Å
94I88.3Confident86.2Confident3 Ų351.8 Ų51.82%0.01529%0.286CS..Hα-helixtrans-73.7-38.7174.6-69.1178.8000109.8I58 L60 M84 I90 S91 A97 R98 L168I58-I94 HydrophobicContact CG2-CD1 4.42Å; L60-I94 HydrophobicContact CD2-CG2 4.29Å; M84-I94 HydrophobicContact CE-CD1 4.01Å; I90-I94 HydrophobicContact CG2-CB 4.22Å; I90-I94 HydrophobicContact CG2-CG2 4.12Å; S91-I94 PolarHBondContact O-N 3.1Å; S91-I94 WeakPolarHBondContact OG-CG1 3.43Å; I94-A97 PolarHBondContact O-N 3.42Å; I94-R98 WeakPolarHBondContact O-CG 3.5Å; I94-R98 PolarHBondContact O-N 2.88Å; I94-L168 HydrophobicContact CD1-CD1 4.24Å; I94-L168 HydrophobicContact CD1-CD2 3.98Å
95E90.3Very high87.2Confident118 Ų11852.2 Ų52.255%0.55129%0.288SS*.Hα-helixtrans-62.6-48.6176.5-170.6175.2-174.600111.9I90 S91 I92 A97 R98 G99I90-E95 HydrophobicContact CG2-CB 4.49Å; S91-E95 PolarHBondContact O-N 3.5Å; S91-E95 VanDerWaalsContact O-N 3.12Å; I92-E95 PolarHBondContact O-N 3.46Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.4Å; E95-R98 WeakPolarHBondContact O-CB 3.5Å; E95-R98 PolarHBondContact O-N 3.16Å; E95-G99 PolarHBondContact O-N 3.49Å; E95-G99 VanDerWaalsContact O-N 3.07Å
96Y90.6Very high88.3Confident150 Ų15055.3 Ų55.359%0.58830%0.298SS*.Hα-helixtrans-61.2-40.9173.3-86.6-70.9000112I92 R98 G99 L100I92-Y96 HydrophobicContact CD1-CD2 4.13Å; I92-Y96 HydrophobicContact CD1-CE2 3.74Å; I92-Y96 HydrophobicContact CG1-CD2 3.79Å; I92-Y96 HydrophobicContact CG1-CE2 3.65Å; I92-Y96 VanDerWaalsContact O-CD2 3.27Å; I92-Y96 WeakPolarHBondContact O-CD2 3.47Å; I92-Y96 PolarHBondContact O-N 3.05Å; Y96-R98 VanDerWaalsContact C-N 3.35Å; Y96-R98 PolarHBondContact O-N 3.19Å; Y96-G99 PolarHBondContact O-N 3.09Å; Y96-L100 WeakPolarHBondContact O-CB 3.33Å; Y96-L100 VanDerWaalsContact O-CG 3.3Å; Y96-L100 WeakPolarHBondContact O-CG 3.28Å; Y96-L100 PolarHBondContact O-N 3.42Å
97A93.1Very high89.8Confident2 Ų250.4 Ų50.42%0.01726%0.261CS..Hα-helixtrans-61.7-41.6177.700000112.2W43 L60 E93 I94 E95 I101 S153W43-A97 HydrophobicContact CE3-CB 4.49Å; W43-A97 HydrophobicContact CH2-CB 4.42Å; W43-A97 HydrophobicContact CZ3-CB 3.88Å; L60-A97 HydrophobicContact CD2-CB 3.69Å; E93-A97 VanDerWaalsContact O-CB 3.23Å; E93-A97 WeakPolarHBondContact O-CB 3.47Å; E93-A97 PolarHBondContact O-N 3.26Å; I94-A97 PolarHBondContact O-N 3.42Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.4Å; A97-I101 WeakPolarHBondContact O-CB 3.35Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.41Å; A97-I101 PolarHBondContact O-N 3.11Å; A97-S153 WeakPolarHBondContact CA-OG 3.44Å; A97-S153 VanDerWaalsContact CB-OG 3.31Å; A97-S153 WeakPolarHBondContact CB-OG 3.41Å; A97-S153 PolarHBondContact O-OG 2.94Å
98R94.7Very high91Very high37 Ų3747.3 Ų47.314%0.1424%0.239CC..Hα-helixtrans-57.2-51.9172.7-74.8172.1179.2-173.11.2111.2L60 W61 I94 E95 Y96 L102L60-R98 HydrophobicContact CB-CG 4.02Å; L60-R98 HydrophobicContact CD2-CG 4.21Å; L60-R98 HydrophobicContact CG-CG 4.48Å; L60-R98 PolarHBondContact O-NE 3.4Å; L60-R98 PolarHBondContact O-NH2 3.16Å; W61-R98 HydrophobicContact CE3-CG 4.29Å; W61-R98 HydrophobicContact CH2-CB 3.79Å; W61-R98 HydrophobicContact CH2-CG 3.73Å; W61-R98 HydrophobicContact CZ2-CB 4.24Å; W61-R98 HydrophobicContact CZ2-CG 4.04Å; W61-R98 HydrophobicContact CZ3-CB 4.3Å; W61-R98 HydrophobicContact CZ3-CG 3.88Å; I94-R98 WeakPolarHBondContact O-CG 3.5Å; I94-R98 PolarHBondContact O-N 2.88Å; E95-R98 WeakPolarHBondContact O-CB 3.5Å; E95-R98 PolarHBondContact O-N 3.16Å; Y96-R98 VanDerWaalsContact C-N 3.35Å; Y96-R98 PolarHBondContact O-N 3.19Å; R98-L102 WeakPolarHBondContact O-CB 3.49Å; R98-L102 VanDerWaalsContact O-CG 3.31Å; R98-L102 WeakPolarHBondContact O-CG 3.19Å; R98-L102 PolarHBondContact O-N 3.31Å
99G95.4Very high91.9Very high42 Ų4248.7 Ų48.743%0.43325%0.25SC..Hα-helixtrans-59.6-48.8-178.400000112.5E95 Y96 L103E95-G99 PolarHBondContact O-N 3.49Å; E95-G99 VanDerWaalsContact O-N 3.07Å; Y96-G99 PolarHBondContact O-N 3.09Å; G99-L103 VanDerWaalsContact O-CB 3.3Å; G99-L103 WeakPolarHBondContact O-CB 3.34Å; G99-L103 PolarHBondContact O-N 3.39Å
100L96.6Very high92.6Very high44 Ų4447.3 Ų47.323%0.2324%0.238CC..Hα-helixtrans-66.1-42.5-178.5-69.5175000112.7Y96 L103 A104 C149 L152Y96-L100 WeakPolarHBondContact O-CB 3.33Å; Y96-L100 VanDerWaalsContact O-CG 3.3Å; Y96-L100 WeakPolarHBondContact O-CG 3.28Å; Y96-L100 PolarHBondContact O-N 3.42Å; L100-L103 PolarHBondContact O-N 2.85Å; L100-A104 WeakPolarHBondContact O-CB 3.5Å; L100-A104 PolarHBondContact O-N 2.78Å; L100-C149 HydrophobicContact CB-CB 4.24Å; L100-C149 HydrophobicContact CD2-CB 4.29Å; L100-C149 WeakPolarHBondContact O-CB 3.14Å; L100-L152 HydrophobicContact CD1-CB 4.14Å
101I96.4Very high93.4Very high3 Ų344.8 Ų44.82%0.01523%0.226CC..Hα-helixtrans-70.2-38.8179.1-69.2-68.1000111.6L37 A38 W43 L60 A97 A104 N105 S153L37-I101 HydrophobicContact CB-CD1 4.46Å; A38-I101 HydrophobicContact CB-CG2 3.67Å; W43-I101 HydrophobicContact CH2-CD1 3.98Å; W43-I101 HydrophobicContact CH2-CG1 3.64Å; W43-I101 HydrophobicContact CZ2-CD1 4.25Å; W43-I101 HydrophobicContact CZ2-CG1 3.91Å; L60-I101 HydrophobicContact CD1-CB 4.41Å; L60-I101 HydrophobicContact CD1-CG1 4.43Å; L60-I101 HydrophobicContact CD1-CG2 4.49Å; A97-I101 WeakPolarHBondContact O-CB 3.35Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.41Å; A97-I101 PolarHBondContact O-N 3.11Å; I101-A104 PolarHBondContact O-N 3.38Å; I101-N105 WeakPolarHBondContact O-CB 3.21Å; I101-N105 PolarHBondContact O-N 3.46Å; I101-N105 PolarHBondContact O-ND2 3.45Å; I101-N105 VanDerWaalsContact O-ND2 3.07Å; I101-S153 WeakPolarHBondContact CG1-OG 3.41Å
102L96.6Very high94Very high67 Ų6745.1 Ų45.135%0.35123%0.227SC..Hα-helixtrans-61.7-47.1172.5-76.5-179.3000110.6W61 R98 A104 N105 F106W61-L102 HydrophobicContact CH2-CD1 3.6Å; W61-L102 HydrophobicContact CH2-CD2 4.48Å; W61-L102 HydrophobicContact CH2-CG 4.09Å; W61-L102 HydrophobicContact CZ2-CD1 3.99Å; W61-L102 HydrophobicContact CZ2-CD2 4.07Å; W61-L102 HydrophobicContact CZ2-CG 3.96Å; R98-L102 WeakPolarHBondContact O-CB 3.49Å; R98-L102 VanDerWaalsContact O-CG 3.31Å; R98-L102 WeakPolarHBondContact O-CG 3.19Å; R98-L102 PolarHBondContact O-N 3.31Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 2.95Å; L102-N105 PolarHBondContact O-N 3.13Å; L102-N105 VanDerWaalsContact O-N 3.14Å; L102-F106 HydrophobicContact CB-CD2 4.46Å; L102-F106 HydrophobicContact CB-CE2 4.45Å; L102-F106 WeakPolarHBondContact O-CD2 3.09Å; L102-F106 PolarHBondContact O-N 2.94Å
103L96.9Very high94.6Very high80 Ų8045.7 Ų45.742%0.41923%0.23SC..Hα-helixtrans-58.6-45.9178.6-174.261.1000111.8G99 L100 N105 F106 M107G99-L103 VanDerWaalsContact O-CB 3.3Å; G99-L103 WeakPolarHBondContact O-CB 3.34Å; G99-L103 PolarHBondContact O-N 3.39Å; L100-L103 PolarHBondContact O-N 2.85Å; L103-N105 VanDerWaalsContact C-N 3.33Å; L103-N105 PolarHBondContact O-N 2.96Å; L103-F106 PolarHBondContact O-N 2.95Å; L103-M107 HydrophobicContact CD1-CE 3.79Å; L103-M107 HydrophobicContact CD2-CE 4.05Å; L103-M107 HydrophobicContact CG-CE 3.75Å; L103-M107 HydrophobicContact CG-SD 4.4Å; L103-M107 WeakPolarHBondContact O-CG 3.29Å; L103-M107 PolarHBondContact O-N 3.49Å
104A95.9Very high95Very high3 Ų348.5 Ų48.53%0.02524%0.242CC..Hα-helixtrans-57.6-45.2174.700000111.9L100 I101 L102 F106 M107 Q108 N146 C149L100-A104 WeakPolarHBondContact O-CB 3.5Å; L100-A104 PolarHBondContact O-N 2.78Å; I101-A104 PolarHBondContact O-N 3.38Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 2.95Å; A104-F106 VanDerWaalsContact C-N 3.35Å; A104-F106 PolarHBondContact O-N 3.32Å; A104-M107 PolarHBondContact O-N 3.29Å; A104-Q108 PolarHBondContact O-N 2.91Å; A104-N146 PolarHBondContact O-ND2 3.38Å; A104-N146 VanDerWaalsContact O-ND2 3.13Å; A104-C149 HydrophobicContact CB-CB 4.03Å
105N95.5Very high95.2Very high20 Ų2048.5 Ų48.511%0.10724%0.243CC..Hα-helixtrans-66.9-31.6177.7-81.1-45.8000113.8G34 I35 I101 L102 L103 P109G34-N105 VanDerWaalsContact CA-OD1 3.29Å; G34-N105 WeakPolarHBondContact CA-OD1 2.9Å; G34-N105 PolarHBondContact O-ND2 3.37Å; G34-N105 PolarHBondContact O-OD1 3.01Å; I35-N105 PolarHBondContact N-OD1 3.28Å; I101-N105 WeakPolarHBondContact O-CB 3.21Å; I101-N105 PolarHBondContact O-N 3.46Å; I101-N105 PolarHBondContact O-ND2 3.45Å; I101-N105 VanDerWaalsContact O-ND2 3.07Å; L102-N105 PolarHBondContact O-N 3.13Å; L102-N105 VanDerWaalsContact O-N 3.14Å; L103-N105 VanDerWaalsContact C-N 3.33Å; L103-N105 PolarHBondContact O-N 2.96Å; N105-P109 WeakPolarHBondContact O-CD 3.21Å
106F95.2Very high95.4Very high148 Ų14845.1 Ų45.165%0.64923%0.232SC*.Hα-helixtrans-73.8-34174.4-83.2-66.8000112.7L102 L103 A104 Q108 P109L102-F106 HydrophobicContact CB-CD2 4.46Å; L102-F106 HydrophobicContact CB-CE2 4.45Å; L102-F106 WeakPolarHBondContact O-CD2 3.09Å; L102-F106 PolarHBondContact O-N 2.94Å; L103-F106 PolarHBondContact O-N 2.95Å; A104-F106 VanDerWaalsContact C-N 3.35Å; A104-F106 PolarHBondContact O-N 3.32Å; F106-Q108 VanDerWaalsContact C-N 3.34Å; F106-P109 WeakPolarHBondContact O-CD 3.37Å
107M95.1Very high95.5Very high24 Ų2440.5 Ų40.512%0.11822%0.219CC..Hα-helixtrans-70.8-29.9176.8-70.8179.5175.900112.5L103 A104 I110 V111 F142 L145L103-M107 HydrophobicContact CD1-CE 3.79Å; L103-M107 HydrophobicContact CD2-CE 4.05Å; L103-M107 HydrophobicContact CG-CE 3.75Å; L103-M107 HydrophobicContact CG-SD 4.4Å; L103-M107 WeakPolarHBondContact O-CG 3.29Å; L103-M107 PolarHBondContact O-N 3.49Å; A104-M107 PolarHBondContact O-N 3.29Å; M107-I110 VanDerWaalsContact O-CB 3.26Å; M107-I110 WeakPolarHBondContact O-CB 3.38Å; M107-I110 PolarHBondContact O-N 3Å; M107-I110 VanDerWaalsContact O-N 3.1Å; M107-V111 PolarHBondContact O-N 3.16Å; M107-F142 HydrophobicContact CB-CB 4.49Å; M107-F142 HydrophobicContact CB-CD1 3.91Å; M107-F142 HydrophobicContact CE-CD1 4.45Å; M107-F142 HydrophobicContact CG-CD1 3.67Å; M107-F142 HydrophobicContact CG-CE1 4.12Å; M107-F142 HydrophobicContact SD-CD1 3.91Å; M107-L145 HydrophobicContact CE-CB 4.22Å; M107-L145 HydrophobicContact CE-CD1 3.98Å; M107-L145 HydrophobicContact SD-CB 3.67Å; M107-L145 HydrophobicContact SD-CD1 4.25Å
108Q95.8Very high95.4Very high0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-66.6-40.4-172.2-162.662.115.900115.1S27 V30 W31 A104 F106 I110 V111 L112 N146S27-Q108 PolarHBondContact O-NE2 3.27Å; V30-Q108 HydrophobicContact CG1-CG 4.28Å; W31-Q108 HydrophobicContact CB-CB 4.31Å; W31-Q108 HydrophobicContact CB-CG 3.49Å; W31-Q108 VanDerWaalsContact CB-CG 3.49Å; W31-Q108 HydrophobicContact CG-CB 4.11Å; W31-Q108 HydrophobicContact CG-CG 3.8Å; A104-Q108 PolarHBondContact O-N 2.91Å; F106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-I110 PolarHBondContact O-N 3.42Å; Q108-V111 WeakPolarHBondContact O-CB 3.13Å; Q108-V111 PolarHBondContact O-N 2.91Å; Q108-V111 VanDerWaalsContact O-N 3.17Å; Q108-L112 PolarHBondContact O-N 2.87Å; Q108-N146 PolarHBondContact OE1-ND2 3.02Å
109P96.6Very high95.1Very high40 Ų4039.5 Ų39.526%0.2622%0.216SC..Hα-helixtrans-55.5-36.1169.3-2935000113.3W31 N105 F106 L112 I113W31-P109 HydrophobicContact CZ2-CG 3.84Å; N105-P109 WeakPolarHBondContact O-CD 3.21Å; F106-P109 WeakPolarHBondContact O-CD 3.37Å; P109-L112 PolarHBondContact O-N 3.09Å; P109-I113 VanDerWaalsContact O-CG1 3.26Å; P109-I113 WeakPolarHBondContact O-CG1 3.39Å; P109-I113 PolarHBondContact O-N 3.4Å
110I95.8Very high94.8Very high57 Ų5743.6 Ų43.629%0.29223%0.226SC..Hα-helixtrans-62.2-48.6177.3-54.7175.8000109.4M107 Q108 L112 I113 F114 F142M107-I110 VanDerWaalsContact O-CB 3.26Å; M107-I110 WeakPolarHBondContact O-CB 3.38Å; M107-I110 PolarHBondContact O-N 3Å; M107-I110 VanDerWaalsContact O-N 3.1Å; Q108-I110 PolarHBondContact O-N 3.42Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 PolarHBondContact O-N 3.05Å; I110-I113 PolarHBondContact O-N 3.26Å; I110-F114 HydrophobicContact CG2-CD2 3.6Å; I110-F114 HydrophobicContact CG2-CE2 3.6Å; I110-F114 VanDerWaalsContact O-CD2 3.31Å; I110-F114 WeakPolarHBondContact O-CD2 3.29Å; I110-F114 PolarHBondContact O-N 2.95Å; I110-F142 HydrophobicContact CB-CD2 4.45Å; I110-F142 HydrophobicContact CD1-CE1 4.16Å; I110-F142 HydrophobicContact CD1-CZ 4.12Å; I110-F142 HydrophobicContact CG2-CD2 3.77Å; I110-F142 HydrophobicContact CG2-CE2 3.63Å; I110-F142 HydrophobicContact CG2-CG 4.47Å; I110-F142 HydrophobicContact CG2-CZ 4.21Å
111V96.9Very high94.4Very high0 Ų042.3 Ų42.30%022%0.219CC..Hα-helixtrans-54.9-46.7174.7177.20000111.4M107 Q108 S115 S139 F142 L143M107-V111 PolarHBondContact O-N 3.16Å; Q108-V111 WeakPolarHBondContact O-CB 3.13Å; Q108-V111 PolarHBondContact O-N 2.91Å; Q108-V111 VanDerWaalsContact O-N 3.17Å; V111-S115 VanDerWaalsContact O-CB 3.23Å; V111-S115 WeakPolarHBondContact O-CB 3.31Å; V111-S115 PolarHBondContact O-N 3.01Å; V111-S115 PolarHBondContact O-OG 3.44Å; V111-S139 PolarHBondContact O-OG 3.42Å; V111-F142 HydrophobicContact CG2-CB 3.48Å; V111-F142 VanDerWaalsContact CG2-CB 3.48Å; V111-L143 HydrophobicContact CG1-CD1 3.95Å; V111-L143 HydrophobicContact CG1-CD2 3.94Å; V111-L143 HydrophobicContact CG1-CG 3.72Å; V111-L143 HydrophobicContact CG2-CD2 4.34Å; V111-L143 HydrophobicContact CG2-CG 4Å
112L96.9Very high93.7Very high11 Ų1143 Ų436%0.05822%0.224CC..Hα-helixtrans-63.6-42.8-179.9-70.4172.2000112.2L24 F28 W31 Q108 P109 I110 S116L24-L112 HydrophobicContact CD1-CD2 4.01Å; F28-L112 HydrophobicContact CD1-CD1 3.97Å; F28-L112 HydrophobicContact CD1-CD2 4.1Å; F28-L112 HydrophobicContact CD2-CD2 3.84Å; F28-L112 HydrophobicContact CE1-CD1 3.9Å; F28-L112 HydrophobicContact CE1-CD2 4.19Å; F28-L112 HydrophobicContact CE2-CD2 3.93Å; F28-L112 HydrophobicContact CG-CD2 3.92Å; F28-L112 HydrophobicContact CZ-CD1 4.44Å; F28-L112 HydrophobicContact CZ-CD2 4.09Å; W31-L112 HydrophobicContact CB-CD1 4.45Å; W31-L112 HydrophobicContact CD2-CD1 4.1Å; W31-L112 HydrophobicContact CE3-CD1 3.58Å; W31-L112 HydrophobicContact CG-CD1 4.49Å; W31-L112 HydrophobicContact CZ3-CD1 4.18Å; Q108-L112 PolarHBondContact O-N 2.87Å; P109-L112 PolarHBondContact O-N 3.09Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 PolarHBondContact O-N 3.05Å; L112-S116 WeakPolarHBondContact O-CB 3.19Å; L112-S116 PolarHBondContact O-N 3Å; L112-S116 PolarHBondContact O-OG 3Å
113I96.9Very high93.1Very high105 Ų10548.9 Ų48.954%0.53824%0.242SC..Hα-helixtrans-61.5-54.6177.5-69.6163.7000110P109 I110 S115 S116 V117P109-I113 VanDerWaalsContact O-CG1 3.26Å; P109-I113 WeakPolarHBondContact O-CG1 3.39Å; P109-I113 PolarHBondContact O-N 3.4Å; I110-I113 PolarHBondContact O-N 3.26Å; I113-S115 VanDerWaalsContact C-N 3.33Å; I113-S115 PolarHBondContact O-N 2.86Å; I113-S116 PolarHBondContact O-N 3.31Å; I113-V117 HydrophobicContact CG2-CG2 4.33Å; I113-V117 WeakPolarHBondContact O-CB 3.26Å; I113-V117 VanDerWaalsContact O-CG2 3.27Å; I113-V117 WeakPolarHBondContact O-CG2 3.41Å; I113-V117 PolarHBondContact O-N 3.38Å
114F95.6Very high92.6Very high65 Ų6550.3 Ų50.329%0.28525%0.249SC..Hα-helixtrans-62.6-40-177.8-83.2-77.3000112.4I110 A118 C135 T138 S139I110-F114 HydrophobicContact CG2-CD2 3.6Å; I110-F114 HydrophobicContact CG2-CE2 3.6Å; I110-F114 VanDerWaalsContact O-CD2 3.31Å; I110-F114 WeakPolarHBondContact O-CD2 3.29Å; I110-F114 PolarHBondContact O-N 2.95Å; F114-A118 WeakPolarHBondContact O-CB 3.47Å; F114-A118 PolarHBondContact O-N 2.68Å; F114-C135 HydrophobicContact CB-CB 4.37Å; F114-C135 HydrophobicContact CD1-CB 4.01Å; F114-T138 HydrophobicContact CD1-CG2 4.39Å; F114-T138 HydrophobicContact CD2-CG2 3.78Å; F114-T138 HydrophobicContact CE1-CG2 4.28Å; F114-T138 HydrophobicContact CE2-CG2 3.67Å; F114-T138 HydrophobicContact CG-CG2 4.15Å; F114-T138 HydrophobicContact CZ-CG2 3.93Å; F114-S139 WeakPolarHBondContact CB-OG 2.97Å
115S92.9Very high91.9Very high3 Ų360.2 Ų60.22%0.02129%0.286CS..Hα-helixtrans-68.2-40178.4-52.90000111.6V111 I113 A118 I119 S139V111-S115 VanDerWaalsContact O-CB 3.23Å; V111-S115 WeakPolarHBondContact O-CB 3.31Å; V111-S115 PolarHBondContact O-N 3.01Å; V111-S115 PolarHBondContact O-OG 3.44Å; I113-S115 VanDerWaalsContact C-N 3.33Å; I113-S115 PolarHBondContact O-N 2.86Å; S115-A118 PolarHBondContact O-N 3.39Å; S115-I119 VanDerWaalsContact O-CG1 3.27Å; S115-I119 WeakPolarHBondContact O-CG1 3.38Å; S115-I119 PolarHBondContact O-N 3.26Å; S115-I119 VanDerWaalsContact O-N 3.08Å; S115-S139 PolarHBondContact OG-OG 3.19Å
116S93.6Very high91Very high47 Ų4760.2 Ų60.233%0.32929%0.289SS..Hα-helixtrans-68-42.3176.7-58.30000112.1L112 I113 A118 I119 M120L112-S116 WeakPolarHBondContact O-CB 3.19Å; L112-S116 PolarHBondContact O-N 3Å; L112-S116 PolarHBondContact O-OG 3Å; I113-S116 PolarHBondContact O-N 3.31Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 2.93Å; S116-I119 PolarHBondContact O-N 3.24Å; S116-M120 WeakPolarHBondContact O-CB 3.23Å; S116-M120 PolarHBondContact O-N 3.36Å
117V94.1Very high90.3Very high52 Ų5258.3 Ų58.332%0.31529%0.291SS..Hα-helixtrans-60.7-44.4175.5168.10000110.5I113 I119 M120 V121 F131I113-V117 HydrophobicContact CG2-CG2 4.33Å; I113-V117 WeakPolarHBondContact O-CB 3.26Å; I113-V117 VanDerWaalsContact O-CG2 3.27Å; I113-V117 WeakPolarHBondContact O-CG2 3.41Å; I113-V117 PolarHBondContact O-N 3.38Å; V117-I119 VanDerWaalsContact C-N 3.33Å; V117-I119 PolarHBondContact O-N 2.69Å; V117-M120 WeakPolarHBondContact O-CB 3.5Å; V117-M120 PolarHBondContact O-N 2.91Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 3.26Å; V117-F131 HydrophobicContact CG1-CE1 3.7Å; V117-F131 HydrophobicContact CG1-CZ 3.91Å
118A89.9Confident89.9Confident0 Ų064.1 Ų64.10%031%0.313CS..Hα-helixtrans-61.7-40.8176.500000112.3F114 S115 S116 V121 C122 C135 Y136F114-A118 WeakPolarHBondContact O-CB 3.47Å; F114-A118 PolarHBondContact O-N 2.68Å; S115-A118 PolarHBondContact O-N 3.39Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 2.93Å; A118-V121 PolarHBondContact O-N 2.98Å; A118-C122 PolarHBondContact O-N 3.46Å; A118-C122 VanDerWaalsContact O-N 3.07Å; A118-C122 PolarHBondContact O-SG 3.4Å; A118-C135 HydrophobicContact CB-CB 3.96Å; A118-Y136 HydrophobicContact CB-CD1 3.91Å; A118-Y136 HydrophobicContact CB-CE1 3.29Å; A118-Y136 HydrophobicContact CB-CE2 4.44Å
119I88.4Confident89.4Confident19 Ų1965.8 Ų65.810%0.09732%0.323CS..Hα-helixtrans-64.3-41.5174.4-69167.4000111.3W17 R20 L24 S115 S116 V117 C122 W123W17-I119 HydrophobicContact CH2-CG2 4.29Å; W17-I119 HydrophobicContact CZ3-CG2 3.78Å; R20-I119 HydrophobicContact CB-CD1 4.21Å; R20-I119 HydrophobicContact CB-CG1 4.08Å; L24-I119 HydrophobicContact CB-CD1 4.1Å; L24-I119 HydrophobicContact CD2-CD1 3.95Å; L24-I119 HydrophobicContact CG-CD1 4.46Å; S115-I119 VanDerWaalsContact O-CG1 3.27Å; S115-I119 WeakPolarHBondContact O-CG1 3.38Å; S115-I119 PolarHBondContact O-N 3.26Å; S115-I119 VanDerWaalsContact O-N 3.08Å; S116-I119 PolarHBondContact O-N 3.24Å; V117-I119 VanDerWaalsContact C-N 3.33Å; V117-I119 PolarHBondContact O-N 2.69Å; I119-C122 WeakPolarHBondContact O-CB 3.19Å; I119-C122 PolarHBondContact O-N 3.49Å; I119-W123 PolarHBondContact O-N 3.28Å
120M89.8Confident89Confident128 Ų12869.5 Ų69.563%0.63134%0.341SS*.Hα-helixtrans-62.6-44.8177.6-174.4-177.9178.700111.4S116 V117 C122 W123 I124S116-M120 WeakPolarHBondContact O-CB 3.23Å; S116-M120 PolarHBondContact O-N 3.36Å; V117-M120 WeakPolarHBondContact O-CB 3.5Å; V117-M120 PolarHBondContact O-N 2.91Å; M120-C122 VanDerWaalsContact C-N 3.28Å; M120-C122 PolarHBondContact O-N 3.13Å; M120-W123 WeakPolarHBondContact O-CB 3.28Å; M120-W123 PolarHBondContact O-N 3.48Å; M120-W123 VanDerWaalsContact O-N 3.09Å; M120-I124 WeakPolarHBondContact O-CG1 3.31Å; M120-I124 PolarHBondContact O-N 2.75Å
121V86.9Confident88.7Confident16 Ų1671 Ų7110%0.09735%0.346CS..Hα-helixtrans-59.1-40.6175.1170.90000111.2V117 A118 I124 R125 A126 F131 M132V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 3.26Å; A118-V121 PolarHBondContact O-N 2.98Å; V121-I124 WeakPolarHBondContact O-CG1 3.49Å; V121-R125 PolarHBondContact O-N 3.46Å; V121-A126 HydrophobicContact CG1-CB 4.2Å; V121-A126 PolarHBondContact O-N 3.43Å; V121-F131 HydrophobicContact CG2-CD1 4.06Å; V121-F131 HydrophobicContact CG2-CE1 3.91Å; V121-M132 HydrophobicContact CB-CG 4.29Å; V121-M132 HydrophobicContact CB-SD 4.49Å; V121-M132 HydrophobicContact CG1-CG 3.76Å; V121-M132 HydrophobicContact CG1-SD 3.9Å
122C83.3Confident88.4Confident18 Ų1871.9 Ų71.912%0.12235%0.35CS..Hα-helixtrans-63.6-42.1173.5-68.30000112.6R20 A118 I119 M120 R125 M132R20-C122 PolarHBondContact NH1-SG 2.98Å; A118-C122 PolarHBondContact O-N 3.46Å; A118-C122 VanDerWaalsContact O-N 3.07Å; A118-C122 PolarHBondContact O-SG 3.4Å; I119-C122 WeakPolarHBondContact O-CB 3.19Å; I119-C122 PolarHBondContact O-N 3.49Å; M120-C122 VanDerWaalsContact C-N 3.28Å; M120-C122 PolarHBondContact O-N 3.13Å; C122-R125 PolarHBondContact O-N 3.37Å; C122-R125 VanDerWaalsContact O-N 3.1Å; C122-M132 PolarHBondContact SG-SD 3.37Å
123W83Confident88.1Confident191 Ų19172.4 Ų72.472%0.72335%0.352SS*.Hα-helixtrans-60.4-48.6-179.9-171.5-61.8000111.4W17 I119 M120 R125W17-W123 HydrophobicContact CH2-CB 4.06Å; W17-W123 HydrophobicContact CH2-CD2 4.28Å; W17-W123 AromaticContact CH2-CE3 3.73Å; W17-W123 HydrophobicContact CH2-CE3 3.73Å; W17-W123 HydrophobicContact CH2-CG 4.47Å; W17-W123 HydrophobicContact CZ3-CE3 4.18Å; I119-W123 PolarHBondContact O-N 3.28Å; M120-W123 WeakPolarHBondContact O-CB 3.28Å; M120-W123 PolarHBondContact O-N 3.48Å; M120-W123 VanDerWaalsContact O-N 3.09Å; W123-R125 PolarHBondContact O-N 2.96Å; W123-R125 VanDerWaalsContact O-N 3.16Å
124I86.7Confident87.9Confident109 Ų10972.1 Ų72.156%0.55935%0.352SS*.THydrogen-bonded Turntrans-74.30.3178.966.4173.7000112.8M120 V121 A126M120-I124 WeakPolarHBondContact O-CG1 3.31Å; M120-I124 PolarHBondContact O-N 2.75Å; V121-I124 WeakPolarHBondContact O-CG1 3.49Å; I124-A126 HydrophobicContact CD1-CB 3.81Å; I124-A126 HydrophobicContact CG1-CB 3.78Å; I124-A126 PolarHBondContact O-N 2.97Å
125R80.1Confident87.8Confident212 Ų21269.1 Ų69.180%0.834%0.338SS*.THydrogen-bonded Turntrans52.934.4-178.6-59.5-178.6175.2-179.6-2.9113V121 C122 W123V121-R125 PolarHBondContact O-N 3.46Å; C122-R125 PolarHBondContact O-N 3.37Å; C122-R125 VanDerWaalsContact O-N 3.1Å; W123-R125 PolarHBondContact O-N 2.96Å; W123-R125 VanDerWaalsContact O-N 3.16Å
126A78.1Confident87.9Confident20 Ų2069.1 Ų69.117%0.16534%0.338CS..  trans-71.5139.9-17900000110.8V121 I124 Y128V121-A126 HydrophobicContact CG1-CB 4.2Å; V121-A126 PolarHBondContact O-N 3.43Å; I124-A126 HydrophobicContact CD1-CB 3.81Å; I124-A126 HydrophobicContact CG1-CB 3.78Å; I124-A126 PolarHBondContact O-N 2.97Å; A126-Y128 HydrophobicContact CB-CD2 3.63Å; A126-Y128 HydrophobicContact CB-CE2 3.86Å; A126-Y128 PolarHBondContact O-N 3.22Å
127P79.9Confident88Confident108 Ų10870.2 Ų70.270%0.70134%0.34SS*.SBendtrans-83.350.4-171.935.7-37.5000112.5P129P127-P129 WeakPolarHBondContact O-CD 3.29Å
128Y85.9Confident88Confident146 Ų14669.2 Ų69.257%0.57333%0.334SS*.  trans-116.966.3-177-54.8-59000112.6A126 D130 F131 M132A126-Y128 HydrophobicContact CB-CD2 3.63Å; A126-Y128 HydrophobicContact CB-CE2 3.86Å; A126-Y128 PolarHBondContact O-N 3.22Å; Y128-D130 VanDerWaalsContact C-N 3.34Å; Y128-D130 PolarHBondContact O-N 2.94Å; Y128-F131 PolarHBondContact O-N 3.26Å; Y128-M132 PolarHBondContact O-N 3.14Å
129P85.4Confident88.4Confident34 Ų3469.2 Ų69.222%0.22133%0.334CS..Hα-helixtrans-63.4-37-178.226.8-34.4000113.3P127 F131 M132 I133 I214P127-P129 WeakPolarHBondContact O-CD 3.29Å; P129-F131 PolarHBondContact O-N 2.96Å; P129-M132 HydrophobicContact CB-CE 4.38Å; P129-M132 PolarHBondContact O-N 2.89Å; P129-I133 WeakPolarHBondContact O-CG1 3.33Å; P129-I133 PolarHBondContact O-N 3.38Å; P129-I214 HydrophobicContact CB-CG2 3.53Å
130D87.9Confident88.8Confident119 Ų11968.9 Ų68.964%0.63633%0.333SS*.Hα-helixtrans-67.2-37.6-179.6-61-39.8000111.9Y128 I133 L134Y128-D130 VanDerWaalsContact C-N 3.34Å; Y128-D130 PolarHBondContact O-N 2.94Å; D130-I133 PolarHBondContact O-N 3.29Å; D130-L134 PolarHBondContact O-N 2.87Å
131F89.7Confident89.2Confident88 Ų8867.6 Ų67.639%0.38633%0.328SS..Hα-helixtrans-64.8-42.3174.8-179.9-106.3000111.8V117 V121 Y128 P129 I133 L134 C135V117-F131 HydrophobicContact CG1-CE1 3.7Å; V117-F131 HydrophobicContact CG1-CZ 3.91Å; V121-F131 HydrophobicContact CG2-CD1 4.06Å; V121-F131 HydrophobicContact CG2-CE1 3.91Å; Y128-F131 PolarHBondContact O-N 3.26Å; P129-F131 PolarHBondContact O-N 2.96Å; F131-I133 PolarHBondContact O-N 3.34Å; F131-L134 WeakPolarHBondContact O-CB 3.34Å; F131-L134 PolarHBondContact O-N 3.24Å; F131-C135 PolarHBondContact O-N 2.86Å; F131-C135 PolarHBondContact O-SG 3.39Å
132M90.4Very high89.7Confident19 Ų1969 Ų699%0.09433%0.333CS..Hα-helixtrans-63-42.6176-66.4-173.6-68.200112V121 C122 Y128 P129 L134 C135 Y136 I214V121-M132 HydrophobicContact CB-CG 4.29Å; V121-M132 HydrophobicContact CB-SD 4.49Å; V121-M132 HydrophobicContact CG1-CG 3.76Å; V121-M132 HydrophobicContact CG1-SD 3.9Å; C122-M132 PolarHBondContact SG-SD 3.37Å; Y128-M132 PolarHBondContact O-N 3.14Å; P129-M132 HydrophobicContact CB-CE 4.38Å; P129-M132 PolarHBondContact O-N 2.89Å; M132-L134 VanDerWaalsContact C-N 3.31Å; M132-L134 PolarHBondContact O-N 2.9Å; M132-C135 PolarHBondContact O-N 2.83Å; M132-Y136 HydrophobicContact CB-CE2 4.48Å; M132-Y136 WeakPolarHBondContact O-CD2 3.37Å; M132-Y136 PolarHBondContact O-N 3.21Å; M132-I214 HydrophobicContact CB-CD1 4.03Å; M132-I214 HydrophobicContact CE-CD1 4.1Å; M132-I214 HydrophobicContact CE-CG1 4.42Å; M132-I214 HydrophobicContact CE-CG2 4.31Å; M132-I214 HydrophobicContact SD-CD1 4.36Å
133I90.9Very high90.3Very high21 Ų2168.1 Ų68.111%0.10833%0.327CS..Hα-helixtrans-61.5-41.2175.9-70168000110.8P129 D130 F131 Y136 N137 M211 I214 R215P129-I133 WeakPolarHBondContact O-CG1 3.33Å; P129-I133 PolarHBondContact O-N 3.38Å; D130-I133 PolarHBondContact O-N 3.29Å; F131-I133 PolarHBondContact O-N 3.34Å; I133-Y136 PolarHBondContact O-N 3.04Å; I133-N137 WeakPolarHBondContact O-CB 3.18Å; I133-N137 VanDerWaalsContact O-CG 3.29Å; I133-N137 PolarHBondContact O-N 3.21Å; I133-N137 PolarHBondContact O-ND2 3.43Å; I133-M211 HydrophobicContact CG2-CE 4.42Å; I133-I214 HydrophobicContact CD1-CG2 3.94Å; I133-I214 HydrophobicContact CG1-CB 4.44Å; I133-I214 HydrophobicContact CG1-CG2 3.99Å; I133-R215 HydrophobicContact CD1-CG 3.92Å
134L93.5Very high91Very high100 Ų10062 Ų6252%0.52431%0.311SS..Hα-helixtrans-59.8-50.6174.8179.764.6000111.1D130 F131 M132 Y136 N137 T138D130-L134 PolarHBondContact O-N 2.87Å; F131-L134 WeakPolarHBondContact O-CB 3.34Å; F131-L134 PolarHBondContact O-N 3.24Å; M132-L134 VanDerWaalsContact C-N 3.31Å; M132-L134 PolarHBondContact O-N 2.9Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.46Å; L134-N137 PolarHBondContact O-N 2.89Å; L134-T138 PolarHBondContact O-N 2.97Å; L134-T138 PolarHBondContact O-OG1 3.3Å; L134-T138 VanDerWaalsContact O-OG1 3.09Å
135C94.6Very high91.5Very high1 Ų159.7 Ų59.71%0.00730%0.299CS..Hα-helixtrans-56-46.6177.6-67.30000112.1F114 A118 F131 M132 T138 S139F114-C135 HydrophobicContact CB-CB 4.37Å; F114-C135 HydrophobicContact CD1-CB 4.01Å; A118-C135 HydrophobicContact CB-CB 3.96Å; F131-C135 PolarHBondContact O-N 2.86Å; F131-C135 PolarHBondContact O-SG 3.39Å; M132-C135 PolarHBondContact O-N 2.83Å; C135-T138 PolarHBondContact O-N 2.95Å; C135-S139 PolarHBondContact O-N 3.27Å; C135-S139 PolarHBondContact O-OG 2.91Å
136Y94.1Very high92.3Very high3 Ų349.9 Ų49.91%0.01226%0.263CS..Hα-helixtrans-67.5-39.8179.2-65.3-34000113.1A118 M132 I133 L134 T138 S139 V140 L207 E210 M211 I214A118-Y136 HydrophobicContact CB-CD1 3.91Å; A118-Y136 HydrophobicContact CB-CE1 3.29Å; A118-Y136 HydrophobicContact CB-CE2 4.44Å; M132-Y136 HydrophobicContact CB-CE2 4.48Å; M132-Y136 WeakPolarHBondContact O-CD2 3.37Å; M132-Y136 PolarHBondContact O-N 3.21Å; I133-Y136 PolarHBondContact O-N 3.04Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.46Å; Y136-T138 VanDerWaalsContact C-N 3.33Å; Y136-T138 PolarHBondContact O-N 3.26Å; Y136-S139 PolarHBondContact O-N 2.93Å; Y136-V140 WeakPolarHBondContact O-CB 3.28Å; Y136-V140 VanDerWaalsContact O-CG2 3.29Å; Y136-V140 WeakPolarHBondContact O-CG2 3.27Å; Y136-V140 PolarHBondContact O-N 2.97Å; Y136-L207 HydrophobicContact CD1-CD2 3.64Å; Y136-L207 HydrophobicContact CE1-CD2 3.87Å; Y136-L207 HydrophobicContact CG-CD2 4.39Å; Y136-E210 HydrophobicContact CD2-CB 4.37Å; Y136-E210 HydrophobicContact CE2-CB 3.88Å; Y136-M211 HydrophobicContact CD2-CG 3.78Å; Y136-M211 HydrophobicContact CG-CG 4.12Å; Y136-I214 HydrophobicContact CD2-CD1 4.2Å; Y136-I214 HydrophobicContact CE2-CD1 3.67Å
137N95Very high93.2Very high70 Ų7050.4 Ų50.437%0.37426%0.263SS..Hα-helixtrans-58.9-45.2173.3-80.3-32.6000111.6I133 L134 V140 L141 M211I133-N137 WeakPolarHBondContact O-CB 3.18Å; I133-N137 VanDerWaalsContact O-CG 3.29Å; I133-N137 PolarHBondContact O-N 3.21Å; I133-N137 PolarHBondContact O-ND2 3.43Å; L134-N137 PolarHBondContact O-N 2.89Å; N137-V140 PolarHBondContact O-N 2.78Å; N137-L141 PolarHBondContact O-N 3.48Å; N137-M211 WeakPolarHBondContact OD1-CE 3.3Å
138T95.5Very high94.1Very high31 Ų3149.2 Ų49.219%0.1925%0.249CC..Hα-helixtrans-62.7-47177.5-590000110.9F114 L134 C135 Y136 V140 L141 F142F114-T138 HydrophobicContact CD1-CG2 4.39Å; F114-T138 HydrophobicContact CD2-CG2 3.78Å; F114-T138 HydrophobicContact CE1-CG2 4.28Å; F114-T138 HydrophobicContact CE2-CG2 3.67Å; F114-T138 HydrophobicContact CG-CG2 4.15Å; F114-T138 HydrophobicContact CZ-CG2 3.93Å; L134-T138 PolarHBondContact O-N 2.97Å; L134-T138 PolarHBondContact O-OG1 3.3Å; L134-T138 VanDerWaalsContact O-OG1 3.09Å; C135-T138 PolarHBondContact O-N 2.95Å; Y136-T138 VanDerWaalsContact C-N 3.33Å; Y136-T138 PolarHBondContact O-N 3.26Å; T138-V140 PolarHBondContact O-N 3.38Å; T138-L141 PolarHBondContact O-N 2.89Å; T138-F142 HydrophobicContact CG2-CD2 3.74Å; T138-F142 HydrophobicContact CG2-CE2 3.59Å; T138-F142 VanDerWaalsContact O-CD2 3.23Å; T138-F142 WeakPolarHBondContact O-CD2 3.44Å; T138-F142 PolarHBondContact O-N 3.41Å; T138-F142 VanDerWaalsContact O-N 3.11Å
139S96.6Very high94.6Very high0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-56.7-46.5174.6-68.70000112.4V111 F114 S115 C135 Y136 F142 L143V111-S139 PolarHBondContact O-OG 3.42Å; F114-S139 WeakPolarHBondContact CB-OG 2.97Å; S115-S139 PolarHBondContact OG-OG 3.19Å; C135-S139 PolarHBondContact O-N 3.27Å; C135-S139 PolarHBondContact O-OG 2.91Å; Y136-S139 PolarHBondContact O-N 2.93Å; S139-F142 PolarHBondContact O-N 3.47Å; S139-L143 WeakPolarHBondContact O-CB 3.27Å; S139-L143 WeakPolarHBondContact O-CG 3.43Å; S139-L143 PolarHBondContact O-N 3.43Å
140V97.4Very high95.1Very high13 Ų1341.2 Ų41.28%0.07922%0.215CC..Hα-helixtrans-62.5-44.3179.5168.10000111.2Y136 N137 T138 F142 L143 V144 I204 L207 F208Y136-V140 WeakPolarHBondContact O-CB 3.28Å; Y136-V140 VanDerWaalsContact O-CG2 3.29Å; Y136-V140 WeakPolarHBondContact O-CG2 3.27Å; Y136-V140 PolarHBondContact O-N 2.97Å; N137-V140 PolarHBondContact O-N 2.78Å; T138-V140 PolarHBondContact O-N 3.38Å; V140-F142 PolarHBondContact O-N 3.01Å; V140-L143 PolarHBondContact O-N 2.84Å; V140-V144 HydrophobicContact CG1-CG2 4.43Å; V140-V144 WeakPolarHBondContact O-CG2 3.38Å; V140-V144 PolarHBondContact O-N 3.42Å; V140-I204 HydrophobicContact CG1-CG2 4.13Å; V140-I204 HydrophobicContact CG2-CG2 4.49Å; V140-L207 HydrophobicContact CG2-CB 3.85Å; V140-L207 HydrophobicContact CG2-CD1 3.88Å; V140-F208 HydrophobicContact CG1-CE1 4.29Å; V140-F208 HydrophobicContact CG1-CE2 4.07Å; V140-F208 HydrophobicContact CG1-CZ 3.68Å
141L97.7Very high95.5Very high100 Ų10037.4 Ų37.452%0.52420%0.196SC..Hα-helixtrans-57.1-50.3177.1176.164.6000111.4N137 T138 L143 V144 L145N137-L141 PolarHBondContact O-N 3.48Å; T138-L141 PolarHBondContact O-N 2.89Å; L141-L143 PolarHBondContact O-N 3.23Å; L141-V144 PolarHBondContact O-N 3.2Å; L141-L145 HydrophobicContact CD1-CD1 4.45Å; L141-L145 HydrophobicContact CG-CD1 4.33Å; L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 3.16Å
142F97.6Very high95.8Very high46 Ų4637.9 Ų37.920%0.20220%0.202CC..Hα-helixtrans-67.4-34.1179.9-77.5-67.1000112.8M107 I110 V111 T138 S139 V140 L145 N146M107-F142 HydrophobicContact CB-CB 4.49Å; M107-F142 HydrophobicContact CB-CD1 3.91Å; M107-F142 HydrophobicContact CE-CD1 4.45Å; M107-F142 HydrophobicContact CG-CD1 3.67Å; M107-F142 HydrophobicContact CG-CE1 4.12Å; M107-F142 HydrophobicContact SD-CD1 3.91Å; I110-F142 HydrophobicContact CB-CD2 4.45Å; I110-F142 HydrophobicContact CD1-CE1 4.16Å; I110-F142 HydrophobicContact CD1-CZ 4.12Å; I110-F142 HydrophobicContact CG2-CD2 3.77Å; I110-F142 HydrophobicContact CG2-CE2 3.63Å; I110-F142 HydrophobicContact CG2-CG 4.47Å; I110-F142 HydrophobicContact CG2-CZ 4.21Å; V111-F142 HydrophobicContact CG2-CB 3.48Å; V111-F142 VanDerWaalsContact CG2-CB 3.48Å; T138-F142 HydrophobicContact CG2-CD2 3.74Å; T138-F142 HydrophobicContact CG2-CE2 3.59Å; T138-F142 VanDerWaalsContact O-CD2 3.23Å; T138-F142 WeakPolarHBondContact O-CD2 3.44Å; T138-F142 PolarHBondContact O-N 3.41Å; T138-F142 VanDerWaalsContact O-N 3.11Å; S139-F142 PolarHBondContact O-N 3.47Å; V140-F142 PolarHBondContact O-N 3.01Å; F142-L145 HydrophobicContact CD1-CD1 4.46Å; F142-L145 PolarHBondContact O-N 3.43Å; F142-N146 VanDerWaalsContact O-CB 3.29Å; F142-N146 WeakPolarHBondContact O-CB 3.47Å; F142-N146 PolarHBondContact O-N 3.2Å
143L97.2Very high96Very high0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-64.2-41172.5-77.6168.1000112V111 S139 V140 L141 N146 I147 S203 I204 L207V111-L143 HydrophobicContact CG1-CD1 3.95Å; V111-L143 HydrophobicContact CG1-CD2 3.94Å; V111-L143 HydrophobicContact CG1-CG 3.72Å; V111-L143 HydrophobicContact CG2-CD2 4.34Å; V111-L143 HydrophobicContact CG2-CG 4Å; S139-L143 WeakPolarHBondContact O-CB 3.27Å; S139-L143 WeakPolarHBondContact O-CG 3.43Å; S139-L143 PolarHBondContact O-N 3.43Å; V140-L143 PolarHBondContact O-N 2.84Å; L141-L143 PolarHBondContact O-N 3.23Å; L143-N146 WeakPolarHBondContact O-CB 3.26Å; L143-N146 PolarHBondContact O-N 3.08Å; L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.39Å; L143-I147 PolarHBondContact O-N 2.93Å; L143-S203 WeakPolarHBondContact CD1-OG 3.23Å; L143-I204 HydrophobicContact CB-CD1 3.84Å; L143-I204 HydrophobicContact CB-CG1 3.73Å; L143-I204 HydrophobicContact CD1-CG1 3.88Å; L143-I204 HydrophobicContact CG-CG1 4.44Å; L143-L207 HydrophobicContact CD1-CD1 3.87Å
144V98Very high96.2Very high61 Ų6136.2 Ų36.237%0.3719%0.194SC..Hα-helixtrans-63.9-46.1176170.80000110.9V140 L141 N146 I147 I148 I204V140-V144 HydrophobicContact CG1-CG2 4.43Å; V140-V144 WeakPolarHBondContact O-CG2 3.38Å; V140-V144 PolarHBondContact O-N 3.42Å; L141-V144 PolarHBondContact O-N 3.2Å; V144-N146 VanDerWaalsContact C-N 3.3Å; V144-N146 PolarHBondContact O-N 3.32Å; V144-I147 PolarHBondContact O-N 3.05Å; V144-I148 HydrophobicContact CG1-CD1 4.02Å; V144-I148 WeakPolarHBondContact O-CG1 3.29Å; V144-I148 PolarHBondContact O-N 3.42Å; V144-I204 HydrophobicContact CG2-CD1 3.75Å
145L97.1Very high96.1Very high62 Ų6233 Ų3333%0.32518%0.18SC..Hα-helixtrans-61.4-39.4175.6-68.4174.7000111.7M107 L141 F142 I148 C149M107-L145 HydrophobicContact CE-CB 4.22Å; M107-L145 HydrophobicContact CE-CD1 3.98Å; M107-L145 HydrophobicContact SD-CB 3.67Å; M107-L145 HydrophobicContact SD-CD1 4.25Å; L141-L145 HydrophobicContact CD1-CD1 4.45Å; L141-L145 HydrophobicContact CG-CD1 4.33Å; L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 3.16Å; F142-L145 HydrophobicContact CD1-CD1 4.46Å; F142-L145 PolarHBondContact O-N 3.43Å; L145-I148 PolarHBondContact O-N 3.03Å; L145-C149 WeakPolarHBondContact O-CB 3.35Å; L145-C149 PolarHBondContact O-N 2.8Å; L145-C149 PolarHBondContact O-SG 3.46Å
146N96.4Very high95.9Very high5 Ų540.3 Ų40.33%0.02721%0.208CC..Hα-helixtrans-61.6-46.3175.4-171.9-40.4000111.6A104 Q108 F142 L143 V144 I148 C149 T150A104-N146 PolarHBondContact O-ND2 3.38Å; A104-N146 VanDerWaalsContact O-ND2 3.13Å; Q108-N146 PolarHBondContact OE1-ND2 3.02Å; F142-N146 VanDerWaalsContact O-CB 3.29Å; F142-N146 WeakPolarHBondContact O-CB 3.47Å; F142-N146 PolarHBondContact O-N 3.2Å; L143-N146 WeakPolarHBondContact O-CB 3.26Å; L143-N146 PolarHBondContact O-N 3.08Å; V144-N146 VanDerWaalsContact C-N 3.3Å; V144-N146 PolarHBondContact O-N 3.32Å; N146-I148 VanDerWaalsContact C-N 3.32Å; N146-I148 PolarHBondContact O-N 3.25Å; N146-C149 PolarHBondContact O-N 3.2Å; N146-T150 WeakPolarHBondContact O-CB 3.44Å; N146-T150 PolarHBondContact O-N 3.4Å; N146-T150 PolarHBondContact O-OG1 3.49Å; N146-T150 PolarHBondContact OD1-OG1 3.11Å; N146-T150 VanDerWaalsContact OD1-OG1 3.09Å
147I97.6Very high95.8Very high32 Ų3240.4 Ų40.416%0.16421%0.208CC..Hα-helixtrans-55.6-49.7175.1-69.5162.6000110.3L143 V144 C149 T150 V151 A197 S200 V201 I204L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.39Å; L143-I147 PolarHBondContact O-N 2.93Å; V144-I147 PolarHBondContact O-N 3.05Å; I147-C149 PolarHBondContact O-N 3.28Å; I147-T150 PolarHBondContact O-N 3.22Å; I147-V151 HydrophobicContact CG2-CG2 4.1Å; I147-V151 VanDerWaalsContact O-CB 3.29Å; I147-V151 WeakPolarHBondContact O-CB 2.9Å; I147-V151 VanDerWaalsContact O-CG2 3.27Å; I147-V151 WeakPolarHBondContact O-CG2 3.26Å; I147-V151 PolarHBondContact O-N 2.9Å; I147-A197 HydrophobicContact CG2-CB 4.16Å; I147-S200 VanDerWaalsContact CG1-CB 3.4Å; I147-V201 HydrophobicContact CD1-CG2 3.81Å; I147-I204 HydrophobicContact CD1-CD1 3.66Å
148I97.6Very high95.5Very high83 Ų8338.6 Ų38.643%0.42620%0.198SC..Hα-helixtrans-59.5-50.5-179.1-67.3165.9000110.3V144 L145 N146 T150 L152V144-I148 HydrophobicContact CG1-CD1 4.02Å; V144-I148 WeakPolarHBondContact O-CG1 3.29Å; V144-I148 PolarHBondContact O-N 3.42Å; L145-I148 PolarHBondContact O-N 3.03Å; N146-I148 VanDerWaalsContact C-N 3.32Å; N146-I148 PolarHBondContact O-N 3.25Å; I148-T150 PolarHBondContact O-N 2.87Å; I148-L152 HydrophobicContact CG2-CD1 3.58Å; I148-L152 HydrophobicContact CG2-CG 4.29Å; I148-L152 VanDerWaalsContact O-CB 3.23Å; I148-L152 WeakPolarHBondContact O-CB 3.29Å; I148-L152 WeakPolarHBondContact O-CG 3.29Å; I148-L152 PolarHBondContact O-N 3.28Å
149C96.9Very high95.1Very high10 Ų1040.6 Ų40.67%0.06821%0.21CC..Hα-helixtrans-60.2-47.1-179.5-66.50000111.9L100 A104 L145 N146 I147 S153L100-C149 HydrophobicContact CB-CB 4.24Å; L100-C149 HydrophobicContact CD2-CB 4.29Å; L100-C149 WeakPolarHBondContact O-CB 3.14Å; A104-C149 HydrophobicContact CB-CB 4.03Å; L145-C149 WeakPolarHBondContact O-CB 3.35Å; L145-C149 PolarHBondContact O-N 2.8Å; L145-C149 PolarHBondContact O-SG 3.46Å; N146-C149 PolarHBondContact O-N 3.2Å; I147-C149 PolarHBondContact O-N 3.28Å; C149-S153 WeakPolarHBondContact O-CB 3.49Å; C149-S153 PolarHBondContact O-N 2.94Å
150T96.2Very high94.7Very high1 Ų141.7 Ų41.71%0.00622%0.216CC..Hα-helixtrans-66.6-50.5-177.8-60.30000111.2L37 N146 I147 I148 S153 V154 T196L37-T150 HydrophobicContact CD1-CG2 4.09Å; N146-T150 WeakPolarHBondContact O-CB 3.44Å; N146-T150 PolarHBondContact O-N 3.4Å; N146-T150 PolarHBondContact O-OG1 3.49Å; N146-T150 PolarHBondContact OD1-OG1 3.11Å; N146-T150 VanDerWaalsContact OD1-OG1 3.09Å; I147-T150 PolarHBondContact O-N 3.22Å; I148-T150 PolarHBondContact O-N 2.87Å; T150-S153 PolarHBondContact O-N 2.98Å; T150-V154 WeakPolarHBondContact O-CG1 3.47Å; T150-V154 WeakPolarHBondContact O-CG2 3.28Å; T150-V154 PolarHBondContact O-N 3.38Å; T150-T196 HydrophobicContact CG2-CG2 4.4Å
151V96.4Very high94.1Very high40 Ų4041.3 Ų41.324%0.24221%0.214CC..Hα-helixtrans-64.3-44.7-178.1172.60000111I147 S155 A197I147-V151 HydrophobicContact CG2-CG2 4.1Å; I147-V151 VanDerWaalsContact O-CB 3.29Å; I147-V151 WeakPolarHBondContact O-CB 2.9Å; I147-V151 VanDerWaalsContact O-CG2 3.27Å; I147-V151 WeakPolarHBondContact O-CG2 3.26Å; I147-V151 PolarHBondContact O-N 2.9Å; V151-S155 WeakPolarHBondContact O-CB 3.38Å; V151-S155 PolarHBondContact O-N 3.28Å; V151-S155 PolarHBondContact O-OG 3.48Å; V151-A197 HydrophobicContact CG2-CB 3.67Å
152L95.6Very high93.4Very high97 Ų9738.5 Ų38.551%0.50820%0.199SC..Hα-helixtrans-61.4-46.9177-73.8174.8000111.1L100 I148 W156L100-L152 HydrophobicContact CD1-CB 4.14Å; I148-L152 HydrophobicContact CG2-CD1 3.58Å; I148-L152 HydrophobicContact CG2-CG 4.29Å; I148-L152 VanDerWaalsContact O-CB 3.23Å; I148-L152 WeakPolarHBondContact O-CB 3.29Å; I148-L152 WeakPolarHBondContact O-CG 3.29Å; I148-L152 PolarHBondContact O-N 3.28Å; L152-W156 WeakPolarHBondContact O-CB 3.46Å; L152-W156 PolarHBondContact O-N 2.96Å
153S94.7Very high92.5Very high3 Ų344.9 Ų44.92%0.02122%0.223CC..Hα-helixtrans-57.9-53.6179174.90000112.2W43 A97 I101 C149 T150 N157W43-S153 VanDerWaalsContact CH2-OG 3.3Å; W43-S153 WeakPolarHBondContact CH2-OG 3.33Å; A97-S153 WeakPolarHBondContact CA-OG 3.44Å; A97-S153 VanDerWaalsContact CB-OG 3.31Å; A97-S153 WeakPolarHBondContact CB-OG 3.41Å; A97-S153 PolarHBondContact O-OG 2.94Å; I101-S153 WeakPolarHBondContact CG1-OG 3.41Å; C149-S153 WeakPolarHBondContact O-CB 3.49Å; C149-S153 PolarHBondContact O-N 2.94Å; T150-S153 PolarHBondContact O-N 2.98Å; S153-N157 VanDerWaalsContact O-CB 3.29Å; S153-N157 WeakPolarHBondContact O-CB 3.41Å; S153-N157 PolarHBondContact O-N 3.23Å; S153-N157 VanDerWaalsContact O-N 3.14Å
154V93.9Very high91.3Very high2 Ų246.3 Ų46.31%0.01224%0.238CC..Hα-helixtrans-72.7-36.7-175.5-57.60000112.2L37 W43 T150 H158 V189 F190L37-V154 HydrophobicContact CD2-CG1 4.47Å; W43-V154 HydrophobicContact CH2-CG1 4.06Å; W43-V154 HydrophobicContact CZ3-CG1 4.41Å; T150-V154 WeakPolarHBondContact O-CG1 3.47Å; T150-V154 WeakPolarHBondContact O-CG2 3.28Å; T150-V154 PolarHBondContact O-N 3.38Å; V154-H158 WeakPolarHBondContact O-CB 3.48Å; V154-H158 PolarHBondContact O-N 3.27Å; V154-V189 HydrophobicContact CG1-CG1 4.2Å; V154-F190 HydrophobicContact CG2-CD2 4.23Å
155S92.4Very high89.8Confident33 Ų3352.3 Ų52.323%0.23126%0.262CS..Hα-helixtrans-73.5-45.4-178.2-53.90000111.2V151 H158 V159V151-S155 WeakPolarHBondContact O-CB 3.38Å; V151-S155 PolarHBondContact O-N 3.28Å; V151-S155 PolarHBondContact O-OG 3.48Å; S155-H158 PolarHBondContact O-N 2.93Å; S155-V159 WeakPolarHBondContact O-CB 3.43Å; S155-V159 VanDerWaalsContact O-CG2 3.29Å; S155-V159 WeakPolarHBondContact O-CG2 3.38Å; S155-V159 PolarHBondContact O-N 3.21Å
156W91.1Very high88.4Confident155 Ų15550 Ų5059%0.58725%0.251SS*.Hα-helixtrans-62.6-47178.3-170.1-105.8000111L152 H158 V159 V160L152-W156 WeakPolarHBondContact O-CB 3.46Å; L152-W156 PolarHBondContact O-N 2.96Å; W156-H158 VanDerWaalsContact C-N 3.33Å; W156-H158 PolarHBondContact O-N 3.06Å; W156-V159 PolarHBondContact O-N 3.42Å; W156-V160 HydrophobicContact CD2-CG2 4.27Å; W156-V160 HydrophobicContact CG-CG2 4.48Å; W156-V160 HydrophobicContact CZ2-CG2 4.23Å; W156-V160 WeakPolarHBondContact O-CB 3.27Å; W156-V160 WeakPolarHBondContact O-CG2 3.42Å; W156-V160 PolarHBondContact O-N 3.46Å
157N90.9Very high87.1Confident4 Ų453.5 Ų53.52%0.02127%0.273CS..Hα-helixtrans-60.1-43175.117869.6000111.9W43 R44 S153 D161W43-N157 HydrophobicContact CE3-CB 4.24Å; W43-N157 HydrophobicContact CZ3-CB 4.25Å; W43-N157 PolarHBondContact O-ND2 3.24Å; R44-N157 PolarHBondContact NE-OD1 3.43Å; R44-N157 PolarHBondContact NH2-OD1 3.38Å; S153-N157 VanDerWaalsContact O-CB 3.29Å; S153-N157 WeakPolarHBondContact O-CB 3.41Å; S153-N157 PolarHBondContact O-N 3.23Å; S153-N157 VanDerWaalsContact O-N 3.14Å; N157-D161 WeakPolarHBondContact O-CB 3.41Å; N157-D161 PolarHBondContact O-N 3.49Å
158H88.4Confident86Confident33 Ų3352 Ų5215%0.15327%0.265CS..Hα-helixtrans-64.9-42.8179.9-172.872.7000112.8V154 S155 W156 L162 F190V154-H158 WeakPolarHBondContact O-CB 3.48Å; V154-H158 PolarHBondContact O-N 3.27Å; S155-H158 PolarHBondContact O-N 2.93Å; W156-H158 VanDerWaalsContact C-N 3.33Å; W156-H158 PolarHBondContact O-N 3.06Å; H158-L162 WeakPolarHBondContact CE1-CD1 3.34Å; H158-L162 WeakPolarHBondContact NE2-CD1 3.43Å; H158-L162 WeakPolarHBondContact O-CB 3.2Å; H158-L162 PolarHBondContact O-N 2.97Å; H158-F190 HydrophobicContact CB-CD2 3.81Å; H158-F190 HydrophobicContact CB-CE2 4.45Å; H158-F190 HydrophobicContact CB-CG 4.42Å; H158-F190 AromaticContact CG-CD2 3.87Å
159V88.4Confident85.1Confident73 Ų7351.5 Ų51.544%0.44226%0.263SS..Hα-helixtrans-67.8-48.6-180170.30000110.8S155 W156 D161 Y163 G164S155-V159 WeakPolarHBondContact O-CB 3.43Å; S155-V159 VanDerWaalsContact O-CG2 3.29Å; S155-V159 WeakPolarHBondContact O-CG2 3.38Å; S155-V159 PolarHBondContact O-N 3.21Å; W156-V159 PolarHBondContact O-N 3.42Å; V159-D161 VanDerWaalsContact C-N 3.34Å; V159-D161 PolarHBondContact O-N 2.93Å; V159-Y163 WeakPolarHBondContact O-CB 3.34Å; V159-Y163 PolarHBondContact O-N 3.44Å; V159-G164 PolarHBondContact O-N 2.94Å
160V86.6Confident84.4Confident23 Ų2352.4 Ų52.414%0.13927%0.266CS..Hα-helixtrans-65.1-39.3179.6173.10000111.2E93 W156 G164E93-V160 HydrophobicContact CG-CB 4.37Å; E93-V160 HydrophobicContact CG-CG1 3.95Å; W156-V160 HydrophobicContact CD2-CG2 4.27Å; W156-V160 HydrophobicContact CG-CG2 4.48Å; W156-V160 HydrophobicContact CZ2-CG2 4.23Å; W156-V160 WeakPolarHBondContact O-CB 3.27Å; W156-V160 WeakPolarHBondContact O-CG2 3.42Å; W156-V160 PolarHBondContact O-N 3.46Å; V160-G164 CarbonylContact O-C 3.41Å; V160-G164 WeakPolarHBondContact O-CA 3.29Å; V160-G164 PolarHBondContact O-N 3.39Å; V160-G164 VanDerWaalsContact O-N 3.09Å
161D86.2Confident83.6Confident5 Ų552.9 Ų52.93%0.02727%0.269CS..Hα-helixtrans-66.4-51178.6-17243.3000111.5R44 W46 N157 V159 K184R44-D161 WeakPolarHBondContact CD-OD1 3.3Å; R44-D161 HydrophobicContact CG-CB 4.27Å; R44-D161 IonicContact NE-OD1 2.61Å; W46-D161 WeakPolarHBondContact CZ2-OD1 3.35Å; W46-D161 PolarHBondContact NE1-OD1 2.87Å; N157-D161 WeakPolarHBondContact O-CB 3.41Å; N157-D161 PolarHBondContact O-N 3.49Å; V159-D161 VanDerWaalsContact C-N 3.34Å; V159-D161 PolarHBondContact O-N 2.93Å; D161-K184 WeakPolarHBondContact O-CD 3.37Å; D161-K184 WeakPolarHBondContact O-CE 3.34Å; D161-K184 PolarHBondContact O-NZ 2.87Å
162L82.6Confident82.7Confident40 Ų4057.4 Ų57.421%0.20930%0.299CS..Hα-helixtrans-80.6-36.8-173-69.2-177.8000114.7H158 K184 K186H158-L162 WeakPolarHBondContact CE1-CD1 3.34Å; H158-L162 WeakPolarHBondContact NE2-CD1 3.43Å; H158-L162 WeakPolarHBondContact O-CB 3.2Å; H158-L162 PolarHBondContact O-N 2.97Å; L162-K184 HydrophobicContact CD2-CB 4.13Å; L162-K186 HydrophobicContact CD1-CG 4.07Å
163Y78.4Confident81.9Confident181 Ų18159 Ų5971%0.7131%0.313SS*.Hα-helixtrans-114.1-18.1-170.9-58.8-78.8000113.2V159V159-Y163 WeakPolarHBondContact O-CB 3.34Å; V159-Y163 PolarHBondContact O-N 3.44Å
164G71.1Confident81.2Confident30 Ų3059.8 Ų59.831%0.30932%0.316SS..SBendtrans-94.4163.3177.500000113.4V159 V160 S166 K184V159-G164 PolarHBondContact O-N 2.94Å; V160-G164 CarbonylContact O-C 3.41Å; V160-G164 WeakPolarHBondContact O-CA 3.29Å; V160-G164 PolarHBondContact O-N 3.39Å; V160-G164 VanDerWaalsContact O-N 3.09Å; G164-S166 PolarHBondContact O-N 2.93Å; G164-K184 PolarHBondContact O-NZ 3.49Å
165E67.7Low80.3Confident187 Ų18762.1 Ų62.187%0.87433%0.331SS*.  trans-71.4111.6158.5-70.9-165.4170.200108.1T167E165-T167 PolarHBondContact O-N 3.46Å
166S67.9Low79.7Confident13 Ų1360.9 Ų60.99%0.09132%0.322CS..  trans-67.9118.3177.1167.10000108.9R44 W46 G164 L168 K178R44-S166 PolarHBondContact NH1-OG 2.97Å; W46-S166 WeakPolarHBondContact CH2-OG 3.29Å; W46-S166 WeakPolarHBondContact CZ2-OG 3.41Å; G164-S166 PolarHBondContact O-N 2.93Å; S166-L168 PolarHBondContact O-N 3.09Å; S166-L168 WeakPolarHBondContact OG-CB 3.47Å; S166-L168 PolarHBondContact OG-N 3.39Å; S166-K178 PolarHBondContact O-NZ 2.73Å
167T67.9Low79.1Confident79 Ų7954.9 Ų54.949%0.48531%0.308SS..  trans-74.7-5.7176.961.20000113.1S91 E93 E165 D169S91-T167 WeakPolarHBondContact CB-OG1 3.21Å; E93-T167 PolarHBondContact OE2-OG1 3.04Å; E165-T167 PolarHBondContact O-N 3.46Å; T167-D169 PolarHBondContact O-N 2.93Å; T167-D169 VanDerWaalsContact O-N 3.12Å
168L75.8Confident78.5Confident0 Ų058 Ų580%032%0.322CS..  trans-64.5110.6176.3176.265.6000110.9W46 I58 M84 W88 I94 S166 K178W46-L168 HydrophobicContact CH2-CB 4.32Å; W46-L168 HydrophobicContact CH2-CD2 4.09Å; I58-L168 HydrophobicContact CD1-CD2 3.83Å; I58-L168 HydrophobicContact CG2-CD2 4.01Å; M84-L168 HydrophobicContact CE-CD1 3.21Å; M84-L168 HydrophobicContact CE-CD2 3.97Å; M84-L168 HydrophobicContact CE-CG 4.22Å; W88-L168 HydrophobicContact CE3-CD1 4.48Å; I94-L168 HydrophobicContact CD1-CD1 4.24Å; I94-L168 HydrophobicContact CD1-CD2 3.98Å; S166-L168 PolarHBondContact O-N 3.09Å; S166-L168 WeakPolarHBondContact OG-CB 3.47Å; S166-L168 PolarHBondContact OG-N 3.39Å; L168-K178 WeakPolarHBondContact O-CE 3.3Å; L168-K178 PolarHBondContact O-NZ 3.34Å
169D78.7Confident78.1Confident72 Ų7264.1 Ų64.139%0.38536%0.356SS..BIsolated β-bridgetrans-99.6149.8176.3-74.2-40.4000112.8T167 K178T167-D169 PolarHBondContact O-N 2.93Å; T167-D169 VanDerWaalsContact O-N 3.12Å; D169-K178 WeakPolarHBondContact OD1-CE 3.41Å; D169-K178 IonicContact OD1-NZ 2.84Å; D169-K178 PolarHBondContact OD1-NZ 2.91Å
170F80.7Confident77.8Confident29 Ų2963.8 Ų63.813%0.12735%0.352CS..PPolyproline II helixtrans-86.2146.2177.9-59.6-42.6000111.7W46 F48 W88 F174 V176 K178W46-F170 HydrophobicContact CE3-CE1 4.33Å; W46-F170 AromaticContact CE3-CZ 3.66Å; W46-F170 HydrophobicContact CE3-CZ 3.66Å; W46-F170 AromaticContact CZ3-CE1 3.92Å; W46-F170 HydrophobicContact CZ3-CE1 3.92Å; W46-F170 HydrophobicContact CZ3-CE2 4.33Å; W46-F170 AromaticContact CZ3-CZ 3.43Å; W46-F170 HydrophobicContact CZ3-CZ 3.43Å; W46-F170 VanDerWaalsContact CZ3-CZ 3.43Å; F48-F170 HydrophobicContact CE1-CE2 4.02Å; F48-F170 HydrophobicContact CE1-CZ 4.42Å; F48-F170 AromaticContact CZ-CE2 3.73Å; F48-F170 HydrophobicContact CZ-CE2 3.73Å; F48-F170 AromaticContact CZ-CZ 3.68Å; F48-F170 HydrophobicContact CZ-CZ 3.68Å; W88-F170 HydrophobicContact CE3-CD1 4.48Å; W88-F170 HydrophobicContact CH2-CD1 4.03Å; W88-F170 AromaticContact CZ3-CD1 3.57Å; W88-F170 HydrophobicContact CZ3-CD1 3.57Å; W88-F170 HydrophobicContact CZ3-CE1 4.06Å; F170-F174 HydrophobicContact CB-CB 3.79Å; F170-F174 HydrophobicContact CB-CD1 3.95Å; F170-F174 HydrophobicContact CB-CG 4.05Å; F170-F174 AromaticContact CD1-CD1 3.93Å; F170-F174 HydrophobicContact CD1-CD1 3.93Å; F170-F174 HydrophobicContact CD1-CE1 4.1Å; F170-F174 HydrophobicContact CD1-CG 4.44Å; F170-F174 AromaticContact CD2-CD1 3.9Å; F170-F174 HydrophobicContact CD2-CD1 3.9Å; F170-F174 HydrophobicContact CD2-CE1 4.37Å; F170-F174 HydrophobicContact CE1-CD1 4.4Å; F170-F174 HydrophobicContact CE1-CE1 4.15Å; F170-F174 HydrophobicContact CE2-CD1 4.37Å; F170-F174 HydrophobicContact CE2-CE1 4.41Å; F170-F174 HydrophobicContact CG-CB 4.45Å; F170-F174 AromaticContact CG-CD1 3.66Å; F170-F174 HydrophobicContact CG-CD1 3.66Å; F170-F174 HydrophobicContact CG-CE1 4.22Å; F170-F174 HydrophobicContact CG-CG 4.21Å; F170-F174 HydrophobicContact CZ-CE1 4.29Å; F170-V176 WeakPolarHBondContact CD2-O 3.5Å; F170-K178 HydrophobicContact CD2-CG 4.35Å; F170-K178 HydrophobicContact CE2-CG 4.16Å
171P80.1Confident77.7Confident11 Ų1165.2 Ų65.27%0.07136%0.358CS..PPolyproline II helixtrans-60.9150.6170.323.5-29.6000110W88 T173 F174W88-P171 HydrophobicContact CD2-CG 4.24Å; W88-P171 HydrophobicContact CZ2-CG 4.07Å; P171-T173 PolarHBondContact O-N 3.2Å; P171-F174 HydrophobicContact CG-CB 4.06Å; P171-F174 WeakPolarHBondContact O-CB 3.47Å; P171-F174 PolarHBondContact O-N 3.19Å
172P77.6Confident77.6Confident136 Ų13669.8 Ų69.888%0.88338%0.382SS*.THydrogen-bonded Turntrans-58-22.1-179.9-25.133.6000114.3F174P172-F174 VanDerWaalsContact C-N 3.32Å
173T78.9Confident77.7Confident129 Ų12975.7 Ų75.779%0.79140%0.401SS*.THydrogen-bonded Turntrans-85.7-1.8177.957.50000113.4P171P171-T173 PolarHBondContact O-N 3.2Å
174F79.6Confident78.2Confident21 Ų2169.4 Ų69.49%0.09238%0.378CS..SBendtrans-72.8138.1178.9-156.4-112000110.1V56 Y65 W88 F170 P171 P172 V176V56-F174 HydrophobicContact CG1-CZ 4.26Å; V56-F174 HydrophobicContact CG2-CE1 4.45Å; V56-F174 HydrophobicContact CG2-CZ 4.3Å; Y65-F174 HydrophobicContact CD1-CE2 4.04Å; Y65-F174 HydrophobicContact CD1-CZ 4.12Å; Y65-F174 AromaticContact CE1-CE2 3.59Å; Y65-F174 HydrophobicContact CE1-CE2 3.59Å; Y65-F174 HydrophobicContact CE1-CZ 4.12Å; W88-F174 AromaticContact CH2-CD2 3.86Å; W88-F174 HydrophobicContact CH2-CD2 3.86Å; W88-F174 AromaticContact CH2-CE2 3.67Å; W88-F174 HydrophobicContact CH2-CE2 3.67Å; W88-F174 HydrophobicContact CH2-CZ 4.15Å; W88-F174 AromaticContact CZ2-CD2 3.93Å; W88-F174 HydrophobicContact CZ2-CD2 3.93Å; W88-F174 AromaticContact CZ2-CE2 3.92Å; W88-F174 HydrophobicContact CZ2-CE2 3.92Å; F170-F174 HydrophobicContact CB-CB 3.79Å; F170-F174 HydrophobicContact CB-CD1 3.95Å; F170-F174 HydrophobicContact CB-CG 4.05Å; F170-F174 AromaticContact CD1-CD1 3.93Å; F170-F174 HydrophobicContact CD1-CD1 3.93Å; F170-F174 HydrophobicContact CD1-CE1 4.1Å; F170-F174 HydrophobicContact CD1-CG 4.44Å; F170-F174 AromaticContact CD2-CD1 3.9Å; F170-F174 HydrophobicContact CD2-CD1 3.9Å; F170-F174 HydrophobicContact CD2-CE1 4.37Å; F170-F174 HydrophobicContact CE1-CD1 4.4Å; F170-F174 HydrophobicContact CE1-CE1 4.15Å; F170-F174 HydrophobicContact CE2-CD1 4.37Å; F170-F174 HydrophobicContact CE2-CE1 4.41Å; F170-F174 HydrophobicContact CG-CB 4.45Å; F170-F174 AromaticContact CG-CD1 3.66Å; F170-F174 HydrophobicContact CG-CD1 3.66Å; F170-F174 HydrophobicContact CG-CE1 4.22Å; F170-F174 HydrophobicContact CG-CG 4.21Å; F170-F174 HydrophobicContact CZ-CE1 4.29Å; P171-F174 HydrophobicContact CG-CB 4.06Å; P171-F174 WeakPolarHBondContact O-CB 3.47Å; P171-F174 PolarHBondContact O-N 3.19Å; P172-F174 VanDerWaalsContact C-N 3.32Å; F174-V176 HydrophobicContact CD1-CG2 3.68Å; F174-V176 HydrophobicContact CE1-CG2 3.44Å; F174-V176 VanDerWaalsContact CE1-CG2 3.44Å; F174-V176 PolarHBondContact O-N 3.26Å; F174-V176 VanDerWaalsContact O-N 3.16Å
175P75.6Confident78.9Confident51 Ų5171 Ų7133%0.33138%0.377SS..SBendtrans-73.7-5.8-169.429-37.7000115.2L53 Y65L53-P175 HydrophobicContact CD1-CG 3.55Å; Y65-P175 HydrophobicContact CE2-CG 4.34Å
176V79.9Confident79.7Confident6 Ų669.5 Ų69.54%0.03637%0.368CS..SBendtrans-135.8144.2179-68.30000111.1F48 N50 L53 F170 F174F48-V176 HydrophobicContact CD1-CB 4.02Å; F48-V176 HydrophobicContact CD1-CG2 3.89Å; F48-V176 HydrophobicContact CD2-CG2 4.32Å; F48-V176 HydrophobicContact CE1-CB 4.34Å; F48-V176 HydrophobicContact CE1-CG2 3.91Å; F48-V176 HydrophobicContact CE2-CG2 4.32Å; F48-V176 HydrophobicContact CG-CB 4.42Å; F48-V176 HydrophobicContact CG-CG2 4.11Å; F48-V176 HydrophobicContact CZ-CG2 4.12Å; N50-V176 HydrophobicContact CB-CG1 3.84Å; L53-V176 HydrophobicContact CB-CG1 4.24Å; L53-V176 HydrophobicContact CD1-CG2 4.44Å; L53-V176 HydrophobicContact CD2-CG1 4.06Å; L53-V176 HydrophobicContact CD2-CG2 3.94Å; F170-V176 WeakPolarHBondContact CD2-O 3.5Å; F174-V176 HydrophobicContact CD1-CG2 3.68Å; F174-V176 HydrophobicContact CE1-CG2 3.44Å; F174-V176 VanDerWaalsContact CE1-CG2 3.44Å; F174-V176 PolarHBondContact O-N 3.26Å; F174-V176 VanDerWaalsContact O-N 3.16Å
177G78.4Confident80.6Confident29 Ų2969.8 Ų69.830%0.29937%0.369SS..  trans-89166.8172.100000112F48 D179 D180F48-G177 WeakPolarHBondContact CE1-O 3.44Å; G177-D179 PolarHBondContact O-N 3.24Å; G177-D180 PolarHBondContact N-OD2 3.28Å; G177-D180 PolarHBondContact O-N 3.07Å
178K77.9Confident81.6Confident69 Ų6970.3 Ų70.330%0.337%0.366SS..G310 helixtrans-63.1-29.5170.6-79.6-176.8172.5175.30112.6S166 L168 D169 F170 D180 L181S166-K178 PolarHBondContact O-NZ 2.73Å; L168-K178 WeakPolarHBondContact O-CE 3.3Å; L168-K178 PolarHBondContact O-NZ 3.34Å; D169-K178 WeakPolarHBondContact OD1-CE 3.41Å; D169-K178 IonicContact OD1-NZ 2.84Å; D169-K178 PolarHBondContact OD1-NZ 2.91Å; F170-K178 HydrophobicContact CD2-CG 4.35Å; F170-K178 HydrophobicContact CE2-CG 4.16Å; K178-D180 PolarHBondContact O-N 2.96Å; K178-L181 WeakPolarHBondContact O-CB 3.31Å; K178-L181 PolarHBondContact O-N 2.9Å
179D79.5Confident82.4Confident162 Ų16270.5 Ų70.587%0.86637%0.367SS*.G310 helixtrans-64.9-22179.8-54.8-44000112.5G177 L181G177-D179 PolarHBondContact O-N 3.24Å; D179-L181 VanDerWaalsContact C-N 3.29Å
180D82.2Confident83Confident67 Ų6770.1 Ų70.136%0.35836%0.362SS..G310 helixtrans-85.31177-60.9-45.6000113F48 N49 G177 K178 L182F48-D180 CarbonylContact C-O 3.55Å; F48-D180 WeakPolarHBondContact CA-O 3.34Å; F48-D180 HydrophobicContact CD1-CB 4.03Å; N49-D180 PolarHBondContact N-O 3.48Å; G177-D180 PolarHBondContact N-OD2 3.28Å; G177-D180 PolarHBondContact O-N 3.07Å; K178-D180 PolarHBondContact O-N 2.96Å; D180-L182 PolarHBondContact O-N 3.44Å
181L84.6Confident83.6Confident52 Ų5272.1 Ų72.127%0.27238%0.378SS..EExtended strand (participates in β ladder)trans-70.3114-177.1-175.571.7000110.7W46 F48 K178 D179 K184W46-L181 HydrophobicContact CB-CD1 3.68Å; W46-L181 HydrophobicContact CD2-CD1 4.17Å; W46-L181 HydrophobicContact CE3-CD1 4.18Å; W46-L181 HydrophobicContact CG-CD1 3.98Å; F48-L181 HydrophobicContact CD1-CB 4.38Å; F48-L181 HydrophobicContact CD1-CD1 4.41Å; F48-L181 HydrophobicContact CE1-CB 4.02Å; F48-L181 HydrophobicContact CE1-CD1 3.92Å; F48-L181 HydrophobicContact CE2-CD1 4.1Å; F48-L181 HydrophobicContact CZ-CD1 3.75Å; K178-L181 WeakPolarHBondContact O-CB 3.31Å; K178-L181 PolarHBondContact O-N 2.9Å; D179-L181 VanDerWaalsContact C-N 3.29Å; L181-K184 HydrophobicContact CD2-CD 4.44Å; L181-K184 HydrophobicContact CD2-CG 4.01Å
182L85.6Confident84.3Confident102 Ų10273.3 Ų73.353%0.53438%0.383SS..EExtended strand (participates in β ladder)trans-79.2-50.1174.5-87.7163.6000111.8E47 N49 D180E47-L182 WeakPolarHBondContact O-CB 3.45Å; E47-L182 PolarHBondContact O-N 2.93Å; N49-L182 VanDerWaalsContact CA-CD1 3.48Å; N49-L182 HydrophobicContact CB-CD1 3.65Å; N49-L182 HydrophobicContact CB-CD2 4.33Å; N49-L182 HydrophobicContact CB-CG 3.73Å; D180-L182 PolarHBondContact O-N 3.44Å
183R84.7Confident85.2Confident163 Ų16366.8 Ų66.862%0.61534%0.341SS*.EExtended strand (participates in β ladder)trans-157.6146.3-168-170.3175.2177.8-177.71.2112.1E47E47-R183 HydrophobicContact CB-CB 4.24Å; E47-R183 WeakPolarHBondContact CB-O 3.3Å; E47-R183 PolarHBondContact N-O 3.26Å; E47-R183 PolarHBondContact O-N 3.48Å
184K87.9Confident86Confident50 Ų5064.2 Ų64.222%0.21732%0.321CS..EExtended strand (participates in β ladder)trans-102.1124.3166.3-56.1179.2-177168.70109W46 D161 L162 G164 L181W46-K184 HydrophobicContact CG-CG 4.48Å; D161-K184 WeakPolarHBondContact O-CD 3.37Å; D161-K184 WeakPolarHBondContact O-CE 3.34Å; D161-K184 PolarHBondContact O-NZ 2.87Å; L162-K184 HydrophobicContact CD2-CB 4.13Å; G164-K184 PolarHBondContact O-NZ 3.49Å; L181-K184 HydrophobicContact CD2-CD 4.44Å; L181-K184 HydrophobicContact CD2-CG 4.01Å
185Q84.9Confident86.8Confident63 Ų6367 Ų6729%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-95.5146.6-177.7-61.6-154.23.600111.6L45 E47L45-Q185 HydrophobicContact CB-CB 4.11Å; L45-Q185 HydrophobicContact CD2-CB 3.92Å; L45-Q185 HydrophobicContact CD2-CG 4.39Å; L45-Q185 HydrophobicContact CG-CB 3.94Å; L45-Q185 HydrophobicContact CG-CG 4.35Å; L45-Q185 PolarHBondContact O-N 3.41Å; E47-Q185 PolarHBondContact OE2-NE2 3.02Å
186K84.4Confident87.8Confident156 Ų15664.6 Ų64.668%0.67832%0.321SS*.PPolyproline II helixtrans-70.9132.7173.2-64.8-174.6178.5-177.40109.3L162L162-K186 HydrophobicContact CD1-CG 4.07Å
187T88.1Confident88.6Confident19 Ų1964.7 Ų64.712%0.11732%0.322CS..  trans-108.9164.7-178.267.80000112Y42 W43 L45 V189 P191Y42-T187 WeakPolarHBondContact O-CB 3.36Å; Y42-T187 WeakPolarHBondContact O-CG2 3.33Å; Y42-T187 PolarHBondContact O-OG1 3.48Å; W43-T187 PolarHBondContact O-OG1 2.91Å; L45-T187 HydrophobicContact CB-CG2 3.7Å; T187-V189 PolarHBondContact O-N 3.32Å; T187-P191 WeakPolarHBondContact O-CD 3.44Å
188H88.8Confident89.6Confident90 Ų9067.1 Ų67.142%0.41733%0.331SS..THydrogen-bonded Turntrans-77.5-7.7178.560.2-100.6000113.7Y42 F190 P191 L192Y42-H188 WeakPolarHBondContact CB-CE1 3.49Å; Y42-H188 AromaticContact CD1-CE1 3.88Å; Y42-H188 AromaticContact CD2-CE1 3.19Å; Y42-H188 WeakPolarHBondContact CD2-CE1 3.46Å; Y42-H188 AromaticContact CD2-NE2 3.62Å; Y42-H188 AromaticContact CE2-CE1 3.9Å; Y42-H188 AromaticContact CG-CE1 3.17Å; Y42-H188 AromaticContact CG-ND1 4Å; Y42-H188 AromaticContact CG-NE2 3.86Å; H188-F190 VanDerWaalsContact C-N 3.32Å; H188-F190 PolarHBondContact O-N 2.87Å; H188-P191 HydrophobicContact CB-CG 4.49Å; H188-P191 VanDerWaalsContact O-CD 3.28Å; H188-P191 WeakPolarHBondContact O-CD 3.32Å; H188-P191 VanDerWaalsContact O-CG 3.3Å; H188-P191 WeakPolarHBondContact O-CG 3.38Å; H188-L192 WeakPolarHBondContact O-CB 3.5Å; H188-L192 PolarHBondContact O-N 3.12Å
189V91.8Very high90.5Very high3 Ų365.2 Ų65.22%0.01832%0.324CS..Hα-helixtrans-62.3-41179.3165.40000111.3L37 Y42 W43 V154 T187 G193L37-V189 HydrophobicContact CD2-CB 4.37Å; L37-V189 HydrophobicContact CD2-CG1 3.82Å; L37-V189 WeakPolarHBondContact CD2-O 3.41Å; Y42-V189 WeakPolarHBondContact O-CG2 3.35Å; W43-V189 HydrophobicContact CD2-CG1 3.7Å; W43-V189 HydrophobicContact CE3-CG1 3.93Å; W43-V189 HydrophobicContact CG-CG1 4.17Å; W43-V189 HydrophobicContact CG-CG2 4.21Å; W43-V189 HydrophobicContact CH2-CG1 4.17Å; W43-V189 HydrophobicContact CZ2-CG1 3.97Å; W43-V189 HydrophobicContact CZ3-CG1 4.15Å; V154-V189 HydrophobicContact CG1-CG1 4.2Å; T187-V189 PolarHBondContact O-N 3.32Å; V189-G193 PolarHBondContact O-N 2.75Å
190F91.4Very high91.4Very high65 Ų6557.5 Ų57.529%0.28528%0.283SS..Hα-helixtrans-62.1-57.5176.6-177.8-97.6000112.9V154 H158 H188 L192 G193 M194V154-F190 HydrophobicContact CG2-CD2 4.23Å; H158-F190 HydrophobicContact CB-CD2 3.81Å; H158-F190 HydrophobicContact CB-CE2 4.45Å; H158-F190 HydrophobicContact CB-CG 4.42Å; H158-F190 AromaticContact CG-CD2 3.87Å; H188-F190 VanDerWaalsContact C-N 3.32Å; H188-F190 PolarHBondContact O-N 2.87Å; F190-L192 VanDerWaalsContact C-N 3.27Å; F190-L192 PolarHBondContact O-N 3.38Å; F190-G193 PolarHBondContact O-N 3.43Å; F190-G193 VanDerWaalsContact O-N 3.16Å; F190-M194 HydrophobicContact CD1-CG 4.37Å; F190-M194 HydrophobicContact CE1-CG 3.96Å; F190-M194 HydrophobicContact CE2-CG 4.36Å; F190-M194 HydrophobicContact CE2-SD 4.39Å; F190-M194 HydrophobicContact CZ-CG 3.96Å; F190-M194 HydrophobicContact CZ-SD 4.19Å; F190-M194 WeakPolarHBondContact O-CG 3.17Å; F190-M194 PolarHBondContact O-N 3.12Å
191P94.1Very high92.1Very high70 Ų7057.6 Ų57.646%0.45529%0.286SS..Hα-helixtrans-62.6-32.6178.823-32.9000113T187 H188 M194 L195T187-P191 WeakPolarHBondContact O-CD 3.44Å; H188-P191 HydrophobicContact CB-CG 4.49Å; H188-P191 VanDerWaalsContact O-CD 3.28Å; H188-P191 WeakPolarHBondContact O-CD 3.32Å; H188-P191 VanDerWaalsContact O-CG 3.3Å; H188-P191 WeakPolarHBondContact O-CG 3.38Å; P191-M194 PolarHBondContact O-N 3.31Å; P191-L195 WeakPolarHBondContact O-CB 3.34Å; P191-L195 PolarHBondContact O-N 3.15Å
192L95.4Very high92.7Very high36 Ų3658 Ų5819%0.18829%0.287CS..Hα-helixtrans-66.3-41174.6-174.763.5000112.2F33 L37 H188 F190 L195 T196F33-L192 HydrophobicContact CB-CD1 4.16Å; F33-L192 HydrophobicContact CB-CG 4.49Å; F33-L192 HydrophobicContact CD1-CD1 3.85Å; F33-L192 HydrophobicContact CD2-CD1 4.12Å; F33-L192 HydrophobicContact CE1-CD1 4.23Å; F33-L192 HydrophobicContact CE2-CD1 4.48Å; F33-L192 HydrophobicContact CG-CD1 3.8Å; L37-L192 HydrophobicContact CD2-CB 4.16Å; L37-L192 HydrophobicContact CD2-CD2 3.93Å; L37-L192 HydrophobicContact CD2-CG 4.1Å; L37-L192 HydrophobicContact CG-CD2 4.03Å; L37-L192 HydrophobicContact CG-CG 4.22Å; H188-L192 WeakPolarHBondContact O-CB 3.5Å; H188-L192 PolarHBondContact O-N 3.12Å; F190-L192 VanDerWaalsContact C-N 3.27Å; F190-L192 PolarHBondContact O-N 3.38Å; L192-L195 PolarHBondContact O-N 3.34Å; L192-T196 PolarHBondContact O-N 3.49Å; L192-T196 PolarHBondContact O-OG1 3.14Å
193G95.1Very high93.2Very high0 Ų053.1 Ų53.10%026%0.262CS..Hα-helixtrans-62-43172.800000112.7V189 F190 T196 A197V189-G193 PolarHBondContact O-N 2.75Å; F190-G193 PolarHBondContact O-N 3.43Å; F190-G193 VanDerWaalsContact O-N 3.16Å; G193-T196 WeakPolarHBondContact O-CB 3.47Å; G193-T196 PolarHBondContact O-N 3.44Å; G193-A197 PolarHBondContact O-N 3.16Å
194M96.1Very high93.8Very high74 Ų7446.2 Ų46.237%0.36524%0.237SC..Hα-helixtrans-65-40.8175.6-63.8-54.3-68.500112.2F190 P191 T196 A197 V198F190-M194 HydrophobicContact CD1-CG 4.37Å; F190-M194 HydrophobicContact CE1-CG 3.96Å; F190-M194 HydrophobicContact CE2-CG 4.36Å; F190-M194 HydrophobicContact CE2-SD 4.39Å; F190-M194 HydrophobicContact CZ-CG 3.96Å; F190-M194 HydrophobicContact CZ-SD 4.19Å; F190-M194 WeakPolarHBondContact O-CG 3.17Å; F190-M194 PolarHBondContact O-N 3.12Å; P191-M194 PolarHBondContact O-N 3.31Å; M194-T196 VanDerWaalsContact C-N 3.3Å; M194-T196 PolarHBondContact O-N 3.36Å; M194-A197 WeakPolarHBondContact O-CB 3.41Å; M194-A197 PolarHBondContact O-N 3.34Å; M194-V198 WeakPolarHBondContact O-CG2 3.42Å; M194-V198 PolarHBondContact O-N 3.35Å
195L97Very high94.2Very high80 Ų8048.6 Ų48.642%0.41925%0.251SS..Hα-helixtrans-60.7-41174.3-179.961.8000111.6F33 P191 L192 A197 V198 L199F33-L195 HydrophobicContact CD2-CD2 4.3Å; F33-L195 HydrophobicContact CD2-CG 4.41Å; F33-L195 HydrophobicContact CE2-CD2 3.55Å; F33-L195 HydrophobicContact CE2-CG 3.93Å; F33-L195 HydrophobicContact CZ-CD2 4.04Å; P191-L195 WeakPolarHBondContact O-CB 3.34Å; P191-L195 PolarHBondContact O-N 3.15Å; L192-L195 PolarHBondContact O-N 3.34Å; L195-A197 VanDerWaalsContact C-N 3.32Å; L195-A197 PolarHBondContact O-N 3.09Å; L195-V198 PolarHBondContact O-N 3.08Å; L195-L199 HydrophobicContact CG-CD1 4.38Å; L195-L199 WeakPolarHBondContact O-CG 3.26Å; L195-L199 PolarHBondContact O-N 3.5Å
196T96.6Very high94.7Very high0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-60.3-42.2175.5-55.40000111.3V30 F33 T150 L192 G193 M194 S200V30-T196 HydrophobicContact CB-CG2 4.33Å; V30-T196 HydrophobicContact CG1-CG2 3.82Å; V30-T196 HydrophobicContact CG2-CG2 4.41Å; F33-T196 VanDerWaalsContact CB-OG1 3.28Å; F33-T196 WeakPolarHBondContact CB-OG1 3.35Å; T150-T196 HydrophobicContact CG2-CG2 4.4Å; L192-T196 PolarHBondContact O-N 3.49Å; L192-T196 PolarHBondContact O-OG1 3.14Å; G193-T196 WeakPolarHBondContact O-CB 3.47Å; G193-T196 PolarHBondContact O-N 3.44Å; M194-T196 VanDerWaalsContact C-N 3.3Å; M194-T196 PolarHBondContact O-N 3.36Å; T196-S200 WeakPolarHBondContact O-CB 3.25Å; T196-S200 PolarHBondContact O-N 3Å; T196-S200 PolarHBondContact O-OG 2.98Å
197A97.1Very high95.1Very high9 Ų940 Ų407%0.07421%0.214CC..Hα-helixtrans-64.4-43.9175.100000112.2I147 V151 G193 M194 L195 L199 S200 V201I147-A197 HydrophobicContact CG2-CB 4.16Å; V151-A197 HydrophobicContact CG2-CB 3.67Å; G193-A197 PolarHBondContact O-N 3.16Å; M194-A197 WeakPolarHBondContact O-CB 3.41Å; M194-A197 PolarHBondContact O-N 3.34Å; L195-A197 VanDerWaalsContact C-N 3.32Å; L195-A197 PolarHBondContact O-N 3.09Å; A197-L199 PolarHBondContact O-N 3.09Å; A197-S200 WeakPolarHBondContact O-CB 3.35Å; A197-S200 PolarHBondContact O-N 3.3Å; A197-V201 WeakPolarHBondContact O-CG2 3.42Å; A197-V201 PolarHBondContact O-N 2.99Å
198V97.9Very high95.3Very high80 Ų8044.1 Ų44.149%0.48523%0.23SC..Hα-helixtrans-60.9-46177.4171.20000111.4M194 L195 S200 V201 I202M194-V198 WeakPolarHBondContact O-CG2 3.42Å; M194-V198 PolarHBondContact O-N 3.35Å; L195-V198 PolarHBondContact O-N 3.08Å; V198-S200 VanDerWaalsContact C-N 3.28Å; V198-S200 PolarHBondContact O-N 3.1Å; V198-V201 PolarHBondContact O-N 3.35Å; V198-I202 HydrophobicContact CG1-CD1 4.04Å; V198-I202 WeakPolarHBondContact O-CG1 3.47Å; V198-I202 PolarHBondContact O-N 2.77Å
199L97.8Very high95.4Very high29 Ų2943.8 Ų43.815%0.15223%0.226CC..Hα-helixtrans-61.9-37.4176.5-72.3173.2000112.2M29 V30 F33 L195 A197 I202 S203M29-L199 HydrophobicContact CB-CD1 3.89Å; V30-L199 HydrophobicContact CG2-CB 3.62Å; F33-L199 HydrophobicContact CD2-CD1 3.81Å; F33-L199 HydrophobicContact CE2-CD1 3.52Å; L195-L199 HydrophobicContact CG-CD1 4.38Å; L195-L199 WeakPolarHBondContact O-CG 3.26Å; L195-L199 PolarHBondContact O-N 3.5Å; A197-L199 PolarHBondContact O-N 3.09Å; L199-I202 PolarHBondContact O-N 3.2Å; L199-S203 PolarHBondContact O-N 3.38Å
200S97.5Very high95.2Very high0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-64.4-42.7174.9-58.50000111.4V30 I147 T196 A197 V198 S203 I204V30-S200 VanDerWaalsContact CG2-OG 3.29Å; V30-S200 WeakPolarHBondContact CG2-OG 3.43Å; I147-S200 VanDerWaalsContact CG1-CB 3.4Å; T196-S200 WeakPolarHBondContact O-CB 3.25Å; T196-S200 PolarHBondContact O-N 3Å; T196-S200 PolarHBondContact O-OG 2.98Å; A197-S200 WeakPolarHBondContact O-CB 3.35Å; A197-S200 PolarHBondContact O-N 3.3Å; V198-S200 VanDerWaalsContact C-N 3.28Å; V198-S200 PolarHBondContact O-N 3.1Å; S200-S203 PolarHBondContact O-N 3.16Å; S200-I204 VanDerWaalsContact O-CG1 3.29Å; S200-I204 WeakPolarHBondContact O-CG1 3.34Å; S200-I204 PolarHBondContact O-N 3.19Å
201V97.9Very high95.2Very high68 Ų6840.9 Ų40.941%0.41221%0.213SC..Hα-helixtrans-62.2-43.8174.9171.40000111.4I147 A197 V198 S203 I204 I205I147-V201 HydrophobicContact CD1-CG2 3.81Å; A197-V201 WeakPolarHBondContact O-CG2 3.42Å; A197-V201 PolarHBondContact O-N 2.99Å; V198-V201 PolarHBondContact O-N 3.35Å; V201-S203 VanDerWaalsContact C-N 3.32Å; V201-S203 PolarHBondContact O-N 3.32Å; V201-I204 PolarHBondContact O-N 3.46Å; V201-I205 HydrophobicContact CG1-CD1 3.89Å; V201-I205 HydrophobicContact CG1-CG1 4.44Å; V201-I205 WeakPolarHBondContact O-CG1 2.89Å; V201-I205 PolarHBondContact O-N 3.04Å
202I96.8Very high94.8Very high60 Ų6045.8 Ų45.831%0.30822%0.223SC..Hα-helixtrans-58.2-47.2175.4-68167000110V198 L199 I204 I205 M206V198-I202 HydrophobicContact CG1-CD1 4.04Å; V198-I202 WeakPolarHBondContact O-CG1 3.47Å; V198-I202 PolarHBondContact O-N 2.77Å; L199-I202 PolarHBondContact O-N 3.2Å; I202-I204 PolarHBondContact O-N 3.49Å; I202-I205 PolarHBondContact O-N 3.15Å; I202-M206 HydrophobicContact CG2-CE 4.32Å; I202-M206 WeakPolarHBondContact O-CG 3.49Å; I202-M206 PolarHBondContact O-N 2.69Å
203S96.4Very high94.3Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-59.1-45.5176.7179.70000112S23 S27 L143 L199 S200 V201 I205 M206 L207S23-S203 PolarHBondContact O-OG 3.29Å; S23-S203 PolarHBondContact OG-O 3.28Å; S23-S203 PolarHBondContact OG-OG 3.36Å; S27-S203 PolarHBondContact OG-OG 3.42Å; S27-S203 VanDerWaalsContact OG-OG 3.11Å; L143-S203 WeakPolarHBondContact CD1-OG 3.23Å; L199-S203 PolarHBondContact O-N 3.38Å; S200-S203 PolarHBondContact O-N 3.16Å; V201-S203 VanDerWaalsContact C-N 3.32Å; V201-S203 PolarHBondContact O-N 3.32Å; S203-I205 PolarHBondContact O-N 3.33Å; S203-M206 PolarHBondContact O-N 3.01Å; S203-L207 WeakPolarHBondContact O-CG 3.35Å; S203-L207 PolarHBondContact O-N 3.21Å
204I97.4Very high93.8Very high18 Ų1846.3 Ų46.39%0.09223%0.225CC..Hα-helixtrans-57.8-46.5176.3-70.7165.5000111.5V140 L143 V144 I147 S200 V201 I202 M206 L207 F208V140-I204 HydrophobicContact CG1-CG2 4.13Å; V140-I204 HydrophobicContact CG2-CG2 4.49Å; L143-I204 HydrophobicContact CB-CD1 3.84Å; L143-I204 HydrophobicContact CB-CG1 3.73Å; L143-I204 HydrophobicContact CD1-CG1 3.88Å; L143-I204 HydrophobicContact CG-CG1 4.44Å; V144-I204 HydrophobicContact CG2-CD1 3.75Å; I147-I204 HydrophobicContact CD1-CD1 3.66Å; S200-I204 VanDerWaalsContact O-CG1 3.29Å; S200-I204 WeakPolarHBondContact O-CG1 3.34Å; S200-I204 PolarHBondContact O-N 3.19Å; V201-I204 PolarHBondContact O-N 3.46Å; I202-I204 PolarHBondContact O-N 3.49Å; I204-M206 VanDerWaalsContact C-N 3.31Å; I204-M206 PolarHBondContact O-N 3.19Å; I204-L207 PolarHBondContact O-N 3.49Å; I204-F208 HydrophobicContact CG2-CD2 3.48Å; I204-F208 VanDerWaalsContact CG2-CD2 3.48Å; I204-F208 HydrophobicContact CG2-CE2 3.3Å; I204-F208 HydrophobicContact CG2-CZ 4.36Å; I204-F208 WeakPolarHBondContact O-CD2 3.05Å; I204-F208 PolarHBondContact O-N 3.03Å
205I96Very high92.9Very high101 Ų10149.2 Ų49.252%0.51823%0.232SC..Hα-helixtrans-59.3-44.8178.5-68.8166.2000110.5V201 I202 S203 F208 Y209V201-I205 HydrophobicContact CG1-CD1 3.89Å; V201-I205 HydrophobicContact CG1-CG1 4.44Å; V201-I205 WeakPolarHBondContact O-CG1 2.89Å; V201-I205 PolarHBondContact O-N 3.04Å; I202-I205 PolarHBondContact O-N 3.15Å; S203-I205 PolarHBondContact O-N 3.33Å; I205-F208 PolarHBondContact O-N 2.96Å; I205-Y209 PolarHBondContact O-N 3.44Å
206M94.6Very high91.3Very high35 Ų3549 Ų4917%0.17224%0.235CC..Hα-helixtrans-64.5-40.3177.8-61.3-36.2-168.800112.2F19 T22 I202 S203 I204 Y209 E210F19-M206 HydrophobicContact CD1-CE 3.85Å; F19-M206 HydrophobicContact CD1-CG 4.35Å; F19-M206 HydrophobicContact CD1-SD 3.34Å; F19-M206 WeakPolarHBondContact CD1-SD 3.48Å; F19-M206 HydrophobicContact CE1-CE 3.95Å; F19-M206 HydrophobicContact CE1-SD 3.71Å; F19-M206 HydrophobicContact CG-SD 4.47Å; T22-M206 HydrophobicContact CG2-CE 4.25Å; I202-M206 HydrophobicContact CG2-CE 4.32Å; I202-M206 WeakPolarHBondContact O-CG 3.49Å; I202-M206 PolarHBondContact O-N 2.69Å; S203-M206 PolarHBondContact O-N 3.01Å; I204-M206 VanDerWaalsContact C-N 3.31Å; I204-M206 PolarHBondContact O-N 3.19Å; M206-Y209 WeakPolarHBondContact O-CB 3.49Å; M206-Y209 PolarHBondContact O-N 3.12Å; M206-E210 WeakPolarHBondContact O-CG 3.31Å; M206-E210 PolarHBondContact O-N 3.48Å; M206-E210 VanDerWaalsContact O-N 3.09Å
207L93.1Very high89.5Confident4 Ų455.3 Ų55.32%0.02126%0.263CS..Hα-helixtrans-65.9-40.6176.7-67178.8000112.1S23 Y136 V140 L143 S203 I204 Y209 E210 M211S23-L207 WeakPolarHBondContact OG-CD2 3.43Å; S23-L207 WeakPolarHBondContact OG-CG 3.27Å; Y136-L207 HydrophobicContact CD1-CD2 3.64Å; Y136-L207 HydrophobicContact CE1-CD2 3.87Å; Y136-L207 HydrophobicContact CG-CD2 4.39Å; V140-L207 HydrophobicContact CG2-CB 3.85Å; V140-L207 HydrophobicContact CG2-CD1 3.88Å; L143-L207 HydrophobicContact CD1-CD1 3.87Å; S203-L207 WeakPolarHBondContact O-CG 3.35Å; S203-L207 PolarHBondContact O-N 3.21Å; I204-L207 PolarHBondContact O-N 3.49Å; L207-Y209 VanDerWaalsContact C-N 3.32Å; L207-Y209 PolarHBondContact O-N 3.12Å; L207-E210 PolarHBondContact O-N 3.08Å; L207-M211 VanDerWaalsContact O-CG 3.3Å; L207-M211 WeakPolarHBondContact O-CG 3.31Å; L207-M211 PolarHBondContact O-N 3.29Å
208F92.9Very high87.7Confident104 Ų10456.7 Ų56.746%0.45627%0.272SS..Hα-helixtrans-63.6-39174.8-81.7-50.2000112.4V140 I204 I205 E210 M211 W212V140-F208 HydrophobicContact CG1-CE1 4.29Å; V140-F208 HydrophobicContact CG1-CE2 4.07Å; V140-F208 HydrophobicContact CG1-CZ 3.68Å; I204-F208 HydrophobicContact CG2-CD2 3.48Å; I204-F208 VanDerWaalsContact CG2-CD2 3.48Å; I204-F208 HydrophobicContact CG2-CE2 3.3Å; I204-F208 HydrophobicContact CG2-CZ 4.36Å; I204-F208 WeakPolarHBondContact O-CD2 3.05Å; I204-F208 PolarHBondContact O-N 3.03Å; I205-F208 PolarHBondContact O-N 2.96Å; F208-E210 VanDerWaalsContact C-N 3.34Å; F208-M211 HydrophobicContact CD1-CE 4.36Å; F208-M211 HydrophobicContact CD1-SD 4.03Å; F208-M211 HydrophobicContact CE1-SD 4.45Å; F208-M211 PolarHBondContact O-N 3.07Å; F208-W212 WeakPolarHBondContact O-CB 3.49Å; F208-W212 PolarHBondContact O-N 3.06Å
209Y90.3Very high85.7Confident83 Ų8363.5 Ų63.533%0.32529%0.289SS..Hα-helixtrans-59.3-46.1174.2-177.7-100.5000111.4F19 I205 M206 L207 M211 W212 L213F19-Y209 HydrophobicContact CB-CD1 4.39Å; F19-Y209 AromaticContact CD2-CD1 3.63Å; F19-Y209 HydrophobicContact CD2-CD1 3.63Å; F19-Y209 AromaticContact CD2-CE1 3.34Å; F19-Y209 HydrophobicContact CD2-CE1 3.34Å; F19-Y209 AromaticContact CE2-CD1 3.96Å; F19-Y209 HydrophobicContact CE2-CD1 3.96Å; F19-Y209 AromaticContact CE2-CE1 3.42Å; F19-Y209 HydrophobicContact CE2-CE1 3.42Å; F19-Y209 VanDerWaalsContact CE2-CE1 3.42Å; F19-Y209 AromaticContact CE2-CZ 3.92Å; F19-Y209 AromaticContact CG-CD1 3.95Å; F19-Y209 HydrophobicContact CG-CD1 3.95Å; F19-Y209 HydrophobicContact CG-CE1 4.14Å; F19-Y209 HydrophobicContact CZ-CE1 4.25Å; I205-Y209 PolarHBondContact O-N 3.44Å; M206-Y209 WeakPolarHBondContact O-CB 3.49Å; M206-Y209 PolarHBondContact O-N 3.12Å; L207-Y209 VanDerWaalsContact C-N 3.32Å; L207-Y209 PolarHBondContact O-N 3.12Å; Y209-M211 PolarHBondContact O-N 3.23Å; Y209-W212 HydrophobicContact CE2-CE3 4.46Å; Y209-W212 WeakPolarHBondContact O-CB 3.35Å; Y209-W212 PolarHBondContact O-N 2.96Å; Y209-L213 HydrophobicContact CD1-CD1 3.99Å; Y209-L213 HydrophobicContact CE1-CD1 3.43Å; Y209-L213 VanDerWaalsContact CE1-CD1 3.43Å; Y209-L213 HydrophobicContact CE1-CG 4.17Å; Y209-L213 WeakPolarHBondContact O-CG 3.23Å; Y209-L213 PolarHBondContact O-N 3.32Å; Y209-L213 VanDerWaalsContact O-N 3.09Å
210E89.1Confident83.6Confident1 Ų167.5 Ų67.51%0.00532%0.315CS..Hα-helixtrans-61-45.7175.9-72.9-60.7140.700112.7R20 Y136 M206 L207 F208 W212 L213 I214R20-E210 HydrophobicContact CG-CG 3.8Å; R20-E210 IonicContact CZ-OE2 2.96Å; R20-E210 IonicContact NE-OE1 3.38Å; R20-E210 IonicContact NE-OE2 3.27Å; R20-E210 PolarHBondContact NE-OE2 2.96Å; R20-E210 IonicContact NH2-OE2 3.86Å; R20-E210 PolarHBondContact NH2-OE2 2.59Å; Y136-E210 HydrophobicContact CD2-CB 4.37Å; Y136-E210 HydrophobicContact CE2-CB 3.88Å; M206-E210 WeakPolarHBondContact O-CG 3.31Å; M206-E210 PolarHBondContact O-N 3.48Å; M206-E210 VanDerWaalsContact O-N 3.09Å; L207-E210 PolarHBondContact O-N 3.08Å; F208-E210 VanDerWaalsContact C-N 3.34Å; E210-W212 VanDerWaalsContact C-N 3.26Å; E210-W212 PolarHBondContact O-N 3.43Å; E210-L213 PolarHBondContact O-N 3.49Å; E210-L213 VanDerWaalsContact O-N 3.14Å; E210-I214 WeakPolarHBondContact O-CG1 3.45Å; E210-I214 PolarHBondContact O-N 3.47Å; E210-I214 VanDerWaalsContact O-N 3.08Å
211M89.5Confident81.2Confident6 Ų676 Ų763%0.0335%0.351CS..Hα-helixtrans-59.9-38.7175.9-69.7168.258.700112.2I133 Y136 N137 L207 F208 Y209 L213 I214 R215I133-M211 HydrophobicContact CG2-CE 4.42Å; Y136-M211 HydrophobicContact CD2-CG 3.78Å; Y136-M211 HydrophobicContact CG-CG 4.12Å; N137-M211 WeakPolarHBondContact OD1-CE 3.3Å; L207-M211 VanDerWaalsContact O-CG 3.3Å; L207-M211 WeakPolarHBondContact O-CG 3.31Å; L207-M211 PolarHBondContact O-N 3.29Å; F208-M211 HydrophobicContact CD1-CE 4.36Å; F208-M211 HydrophobicContact CD1-SD 4.03Å; F208-M211 HydrophobicContact CE1-SD 4.45Å; F208-M211 PolarHBondContact O-N 3.07Å; Y209-M211 PolarHBondContact O-N 3.23Å; M211-L213 VanDerWaalsContact C-N 3.32Å; M211-L213 PolarHBondContact O-N 3.15Å; M211-I214 PolarHBondContact O-N 3.48Å; M211-R215 WeakPolarHBondContact O-CG 3.45Å; M211-R215 PolarHBondContact O-N 3.05Å; M211-R215 VanDerWaalsContact O-N 3.12Å
212W87.4Confident78.7Confident174 Ų17478.1 Ų78.166%0.65937%0.367SS*.Hα-helixtrans-65.9-34177.5-174.464.7000112.2F208 Y209 E210 P216F208-W212 WeakPolarHBondContact O-CB 3.49Å; F208-W212 PolarHBondContact O-N 3.06Å; Y209-W212 HydrophobicContact CE2-CE3 4.46Å; Y209-W212 WeakPolarHBondContact O-CB 3.35Å; Y209-W212 PolarHBondContact O-N 2.96Å; E210-W212 VanDerWaalsContact C-N 3.26Å; E210-W212 PolarHBondContact O-N 3.43Å; W212-P216 WeakPolarHBondContact O-CD 3.34Å; W212-P216 WeakPolarHBondContact O-CG 3.49Å
213L84.8Confident76.3Confident36 Ų3681.9 Ų81.919%0.18839%0.392CS..Hα-helixtrans-73.1-31174.8-67.5-179.8000113.5E16 Y209 E210 M211E16-L213 HydrophobicContact CG-CD1 3.67Å; Y209-L213 HydrophobicContact CD1-CD1 3.99Å; Y209-L213 HydrophobicContact CE1-CD1 3.43Å; Y209-L213 VanDerWaalsContact CE1-CD1 3.43Å; Y209-L213 HydrophobicContact CE1-CG 4.17Å; Y209-L213 WeakPolarHBondContact O-CG 3.23Å; Y209-L213 PolarHBondContact O-N 3.32Å; Y209-L213 VanDerWaalsContact O-N 3.09Å; E210-L213 PolarHBondContact O-N 3.49Å; E210-L213 VanDerWaalsContact O-N 3.14Å; M211-L213 VanDerWaalsContact C-N 3.32Å; M211-L213 PolarHBondContact O-N 3.15Å
214I83.4Confident74.1Confident10 Ų1087.8 Ų87.85%0.05143%0.428CS..Hα-helixtrans-76.3-40-179.9-65.5165.9000111.7P129 M132 I133 Y136 E210 M211 K217 S218P129-I214 HydrophobicContact CB-CG2 3.53Å; M132-I214 HydrophobicContact CB-CD1 4.03Å; M132-I214 HydrophobicContact CE-CD1 4.1Å; M132-I214 HydrophobicContact CE-CG1 4.42Å; M132-I214 HydrophobicContact CE-CG2 4.31Å; M132-I214 HydrophobicContact SD-CD1 4.36Å; I133-I214 HydrophobicContact CD1-CG2 3.94Å; I133-I214 HydrophobicContact CG1-CB 4.44Å; I133-I214 HydrophobicContact CG1-CG2 3.99Å; Y136-I214 HydrophobicContact CD2-CD1 4.2Å; Y136-I214 HydrophobicContact CE2-CD1 3.67Å; E210-I214 WeakPolarHBondContact O-CG1 3.45Å; E210-I214 PolarHBondContact O-N 3.47Å; E210-I214 VanDerWaalsContact O-N 3.08Å; M211-I214 PolarHBondContact O-N 3.48Å; I214-K217 PolarHBondContact O-N 3.07Å; I214-K217 VanDerWaalsContact O-N 3.15Å; I214-S218 PolarHBondContact O-N 3.44Å; I214-S218 VanDerWaalsContact O-N 3.16Å
215R77.3Confident71.4Confident136 Ų13691.8 Ų91.851%0.51346%0.458SS..Hα-helixtrans-54.5-47-175.5-80.7179.7-177.6-160.92.7114.1I133 M211 K217 S218I133-R215 HydrophobicContact CD1-CG 3.92Å; M211-R215 WeakPolarHBondContact O-CG 3.45Å; M211-R215 PolarHBondContact O-N 3.05Å; M211-R215 VanDerWaalsContact O-N 3.12Å; R215-K217 PolarHBondContact O-N 3.42Å; R215-S218 PolarHBondContact O-N 3.28Å; R215-S218 PolarHBondContact O-OG 3.26Å
216P63.3Low68.7Low74 Ų7494.9 Ų94.948%0.48147%0.472SS..Hα-helixtrans-62.9-40.1177-23.332.7000113.2W212 S218 R219W212-P216 WeakPolarHBondContact O-CD 3.34Å; W212-P216 WeakPolarHBondContact O-CG 3.49Å; P216-S218 VanDerWaalsContact C-N 3.33Å; P216-S218 PolarHBondContact O-N 3.1Å; P216-R219 PolarHBondContact O-N 3.06Å
217K59.5Low66.3Low133 Ų133102.5 Ų102.558%0.57850%0.504SS*.Hα-helixtrans-65.5-33.9-179.2-72.8175.1-176.5164.20112.1E16 I214 R215E16-K217 IonicContact OE1-NZ 3.34Å; E16-K217 PolarHBondContact OE1-NZ 3Å; E16-K217 VanDerWaalsContact OE1-NZ 3.12Å; E16-K217 IonicContact OE2-NZ 3.12Å; I214-K217 PolarHBondContact O-N 3.07Å; I214-K217 VanDerWaalsContact O-N 3.15Å; R215-K217 PolarHBondContact O-N 3.42Å
218S58.2Low63.9Low39 Ų39110.7 Ų110.727%0.27354%0.542SS..Hα-helixtrans-70-28.4179.170.10000114.7I214 R215 P216I214-S218 PolarHBondContact O-N 3.44Å; I214-S218 VanDerWaalsContact O-N 3.16Å; R215-S218 PolarHBondContact O-N 3.28Å; R215-S218 PolarHBondContact O-OG 3.26Å; P216-S218 VanDerWaalsContact C-N 3.33Å; P216-S218 PolarHBondContact O-N 3.1Å
219R57.4Low61.9Low222 Ų222111 Ų11184%0.83855%0.554SS**Hα-helixtrans-81.1-20.6-177-70.1-174176.6-167.9-1.9113.3P216 K221P216-R219 PolarHBondContact O-N 3.06Å; R219-K221 PolarHBondContact O-N 3.46Å
220V53Low59.8Low114 Ų114115.3 Ų115.369%0.69158%0.577SS**  trans-88.779.1175.1-170.80000108.3
221K46Very low57.6Low177 Ų177125 Ų12577%0.7762%0.622SS**  trans-63.1133.7167.3-73.8-176.8177.9-179.10108.5R219 V223R219-K221 PolarHBondContact O-N 3.46Å; K221-V223 PolarHBondContact O-N 3.34Å; K221-V223 VanDerWaalsContact O-N 3.12Å
222P45.8Very low55.6Low114 Ų114130.8 Ų130.874%0.7466%0.658SS**  trans-65.6115.816926-29.3000107.9V224P222-V224 PolarHBondContact O-N 3.18Å
223V47.1Very low53.8Low138 Ų138132.8 Ų132.884%0.83669%0.69SS**  trans-61.8106.7164.9174.60000105.9K221 S225K221-V223 PolarHBondContact O-N 3.34Å; K221-V223 VanDerWaalsContact O-N 3.12Å; V223-S225 PolarHBondContact O-N 3.44Å
224V50.3Low52.3Low125 Ų125137.6 Ų137.676%0.75872%0.715SS**  trans-63.2102.8169.1176.50000106.1P222 M226P222-V224 PolarHBondContact O-N 3.18Å; V224-M226 PolarHBondContact O-N 3.36Å
225S40.9Very low50.6Low101 Ų101144.3 Ų144.371%0.70675%0.75SS**  trans-64.5101.8169.51780000107.5V223 K227V223-S225 PolarHBondContact O-N 3.44Å; S225-K227 PolarHBondContact O-N 3.16Å
226M39.3Very low49.2Very low166 Ų166144.8 Ų144.882%0.81876%0.763SS**  trans-59.6105.9164.9-89.9179.8173.900107.7V224 H228V224-M226 PolarHBondContact O-N 3.36Å; M226-H228 PolarHBondContact O-N 3.32Å
227K44.1Very low48.3Very low196 Ų196148.9 Ų148.985%0.85278%0.78SS**  trans-69.5111.7158.1-82.9-176.2174.6-177.90107.3S225S225-K227 PolarHBondContact O-N 3.16Å
228H43.1Very low47.6Very low175 Ų175149.9 Ų149.981%0.8179%0.792SS**  trans-65.7129.4164-94.2-60.9000109.6M226M226-H228 PolarHBondContact O-N 3.32Å
229P50.4Low46.9Very low110 Ų110157.3 Ų157.371%0.71483%0.827SS**  trans-84125.6166.728.6-22.7000110.4
230H46.4Very low46.2Very low175 Ų175152.7 Ų152.781%0.8183%0.826SS**  trans26.2117.7149.1-72.4-74.8000119.7
231Q42.7Very low45.7Very low203 Ų203155.7 Ų155.795%0.94984%0.836SS**  trans-100.6111.5141.2-82-177.2-25.900108.5
232T47.1Very low45.6Very low129 Ų129153.9 Ų153.979%0.79184%0.842SS**  trans-75.9133.6163.317.90000109.2
233T50.3Low45.6Very low215 Ų215157.5 Ų157.5100%1.31985%0.851SS**  trans-111.20153.540.50000108.3

Retrieved 233 of 233 residues in 132.8 ms (Link to these results)

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